diff --git a/regtest/basic/rt54/helix-nm.gro.reference b/regtest/basic/rt54/helix-nm.gro.reference
index b08cf48e72c5773f8431b24dbcd3b8983e124263..6143d662aed3720d20513b4e60c45428d7ec0690 100644
--- a/regtest/basic/rt54/helix-nm.gro.reference
+++ b/regtest/basic/rt54/helix-nm.gro.reference
@@ -1,1620 +1,1620 @@
Made with PLUMED t=0.000000
132
- 1ACE HH31 1 -0.911 -0.240 2.180 0.0000 0.0000 0.0000
- 1ACE CH3 2 -0.893 -0.335 2.231 0.0000 0.0000 0.0000
- 1ACE HH32 3 -0.950 -0.350 2.322 0.0000 0.0000 0.0000
- 1ACE HH33 4 -0.907 -0.417 2.160 0.0000 0.0000 0.0000
- 1ACE C 5 -0.745 -0.330 2.266 0.0000 0.0000 0.0000
- 1ACE O 6 -0.691 -0.221 2.283 0.0000 0.0000 0.0000
- 2ALA N 7 -0.681 -0.448 2.268 0.0000 0.0000 0.0000
- 2ALA H 8 -0.732 -0.530 2.242 0.0000 0.0000 0.0000
- 2ALA CA 9 -0.540 -0.460 2.297 0.0000 0.0000 0.0000
- 2ALA HA 10 -0.488 -0.386 2.235 0.0000 0.0000 0.0000
- 2ALA CB 11 -0.507 -0.437 2.444 0.0000 0.0000 0.0000
- 2ALA HB1 12 -0.401 -0.435 2.467 0.0000 0.0000 0.0000
- 2ALA HB2 13 -0.544 -0.514 2.511 0.0000 0.0000 0.0000
- 2ALA HB3 14 -0.556 -0.343 2.470 0.0000 0.0000 0.0000
- 2ALA C 15 -0.491 -0.595 2.247 0.0000 0.0000 0.0000
- 2ALA O 16 -0.473 -0.613 2.126 0.0000 0.0000 0.0000
- 3ALA N 17 -0.485 -0.697 2.333 0.0000 0.0000 0.0000
- 3ALA H 18 -0.512 -0.679 2.429 0.0000 0.0000 0.0000
- 3ALA CA 19 -0.472 -0.840 2.316 0.0000 0.0000 0.0000
- 3ALA HA 20 -0.377 -0.852 2.264 0.0000 0.0000 0.0000
- 3ALA CB 21 -0.461 -0.909 2.451 0.0000 0.0000 0.0000
- 3ALA HB1 22 -0.376 -0.871 2.508 0.0000 0.0000 0.0000
- 3ALA HB2 23 -0.451 -1.014 2.425 0.0000 0.0000 0.0000
- 3ALA HB3 24 -0.549 -0.913 2.516 0.0000 0.0000 0.0000
- 3ALA C 25 -0.575 -0.906 2.226 0.0000 0.0000 0.0000
- 3ALA O 26 -0.536 -0.975 2.132 0.0000 0.0000 0.0000
- 4ALA N 27 -0.704 -0.887 2.257 0.0000 0.0000 0.0000
- 4ALA H 28 -0.704 -0.806 2.318 0.0000 0.0000 0.0000
- 4ALA CA 29 -0.820 -0.923 2.179 0.0000 0.0000 0.0000
- 4ALA HA 30 -0.787 -0.985 2.095 0.0000 0.0000 0.0000
- 4ALA CB 31 -0.916 -0.996 2.273 0.0000 0.0000 0.0000
- 4ALA HB1 32 -0.863 -1.079 2.319 0.0000 0.0000 0.0000
- 4ALA HB2 33 -1.010 -1.033 2.231 0.0000 0.0000 0.0000
- 4ALA HB3 34 -0.940 -0.926 2.353 0.0000 0.0000 0.0000
- 4ALA C 35 -0.872 -0.791 2.126 0.0000 0.0000 0.0000
- 4ALA O 36 -0.827 -0.685 2.168 0.0000 0.0000 0.0000
- 5ALA N 37 -0.957 -0.790 2.022 0.0000 0.0000 0.0000
- 5ALA H 38 -0.963 -0.882 1.981 0.0000 0.0000 0.0000
- 5ALA CA 39 -0.992 -0.679 1.936 0.0000 0.0000 0.0000
- 5ALA HA 40 -1.014 -0.595 2.001 0.0000 0.0000 0.0000
- 5ALA CB 41 -0.879 -0.640 1.841 0.0000 0.0000 0.0000
- 5ALA HB1 42 -0.853 -0.714 1.765 0.0000 0.0000 0.0000
- 5ALA HB2 43 -0.786 -0.629 1.896 0.0000 0.0000 0.0000
- 5ALA HB3 44 -0.898 -0.548 1.786 0.0000 0.0000 0.0000
- 5ALA C 45 -1.118 -0.705 1.853 0.0000 0.0000 0.0000
- 5ALA O 46 -1.152 -0.822 1.837 0.0000 0.0000 0.0000
- 6ALA N 47 -1.193 -0.605 1.805 0.0000 0.0000 0.0000
- 6ALA H 48 -1.160 -0.510 1.805 0.0000 0.0000 0.0000
- 6ALA CA 49 -1.324 -0.626 1.747 0.0000 0.0000 0.0000
- 6ALA HA 50 -1.312 -0.716 1.687 0.0000 0.0000 0.0000
- 6ALA CB 51 -1.437 -0.640 1.849 0.0000 0.0000 0.0000
- 6ALA HB1 52 -1.533 -0.650 1.799 0.0000 0.0000 0.0000
- 6ALA HB2 53 -1.436 -0.555 1.918 0.0000 0.0000 0.0000
- 6ALA HB3 54 -1.413 -0.723 1.916 0.0000 0.0000 0.0000
- 6ALA C 55 -1.363 -0.509 1.658 0.0000 0.0000 0.0000
- 6ALA O 56 -1.336 -0.394 1.692 0.0000 0.0000 0.0000
- 7ALA N 57 -1.421 -0.543 1.543 0.0000 0.0000 0.0000
- 7ALA H 58 -1.429 -0.644 1.540 0.0000 0.0000 0.0000
- 7ALA CA 59 -1.490 -0.458 1.448 0.0000 0.0000 0.0000
- 7ALA HA 60 -1.536 -0.379 1.507 0.0000 0.0000 0.0000
- 7ALA CB 61 -1.389 -0.380 1.364 0.0000 0.0000 0.0000
- 7ALA HB1 62 -1.448 -0.310 1.305 0.0000 0.0000 0.0000
- 7ALA HB2 63 -1.323 -0.443 1.305 0.0000 0.0000 0.0000
- 7ALA HB3 64 -1.329 -0.316 1.428 0.0000 0.0000 0.0000
- 7ALA C 65 -1.595 -0.517 1.355 0.0000 0.0000 0.0000
- 7ALA O 66 -1.715 -0.505 1.374 0.0000 0.0000 0.0000
- 8ALA N 67 -1.548 -0.602 1.264 0.0000 0.0000 0.0000
- 8ALA H 68 -1.447 -0.611 1.257 0.0000 0.0000 0.0000
- 8ALA CA 69 -1.614 -0.708 1.190 0.0000 0.0000 0.0000
- 8ALA HA 70 -1.721 -0.703 1.210 0.0000 0.0000 0.0000
- 8ALA CB 71 -1.591 -0.690 1.040 0.0000 0.0000 0.0000
- 8ALA HB1 72 -1.648 -0.607 0.998 0.0000 0.0000 0.0000
- 8ALA HB2 73 -1.611 -0.781 0.984 0.0000 0.0000 0.0000
- 8ALA HB3 74 -1.484 -0.673 1.042 0.0000 0.0000 0.0000
- 8ALA C 75 -1.555 -0.841 1.237 0.0000 0.0000 0.0000
- 8ALA O 76 -1.437 -0.871 1.223 0.0000 0.0000 0.0000
- 9ALA N 77 -1.646 -0.911 1.305 0.0000 0.0000 0.0000
- 9ALA H 78 -1.736 -0.867 1.314 0.0000 0.0000 0.0000
- 9ALA CA 79 -1.613 -1.016 1.400 0.0000 0.0000 0.0000
- 9ALA HA 80 -1.700 -1.054 1.454 0.0000 0.0000 0.0000
- 9ALA CB 81 -1.558 -1.131 1.316 0.0000 0.0000 0.0000
- 9ALA HB1 82 -1.457 -1.097 1.292 0.0000 0.0000 0.0000
- 9ALA HB2 83 -1.622 -1.150 1.229 0.0000 0.0000 0.0000
- 9ALA HB3 84 -1.560 -1.227 1.366 0.0000 0.0000 0.0000
- 9ALA C 85 -1.527 -0.959 1.512 0.0000 0.0000 0.0000
- 9ALA O 86 -1.521 -0.838 1.529 0.0000 0.0000 0.0000
- 10ALA N 87 -1.468 -1.048 1.592 0.0000 0.0000 0.0000
- 10ALA H 88 -1.491 -1.146 1.590 0.0000 0.0000 0.0000
- 10ALA CA 89 -1.367 -1.015 1.691 0.0000 0.0000 0.0000
- 10ALA HA 90 -1.329 -0.914 1.678 0.0000 0.0000 0.0000
- 10ALA CB 91 -1.435 -1.017 1.828 0.0000 0.0000 0.0000
- 10ALA HB1 92 -1.490 -0.923 1.834 0.0000 0.0000 0.0000
- 10ALA HB2 93 -1.358 -1.025 1.905 0.0000 0.0000 0.0000
- 10ALA HB3 94 -1.489 -1.109 1.848 0.0000 0.0000 0.0000
- 10ALA C 95 -1.251 -1.113 1.681 0.0000 0.0000 0.0000
- 10ALA O 96 -1.267 -1.221 1.625 0.0000 0.0000 0.0000
- 11ALA N 97 -1.130 -1.073 1.721 0.0000 0.0000 0.0000
- 11ALA H 98 -1.130 -0.977 1.752 0.0000 0.0000 0.0000
- 11ALA CA 99 -1.003 -1.138 1.699 0.0000 0.0000 0.0000
- 11ALA HA 100 -1.012 -1.247 1.693 0.0000 0.0000 0.0000
- 11ALA CB 101 -0.950 -1.103 1.560 0.0000 0.0000 0.0000
- 11ALA HB1 102 -0.858 -1.159 1.542 0.0000 0.0000 0.0000
- 11ALA HB2 103 -0.938 -0.994 1.557 0.0000 0.0000 0.0000
- 11ALA HB3 104 -1.013 -1.131 1.476 0.0000 0.0000 0.0000
- 11ALA C 105 -0.901 -1.112 1.809 0.0000 0.0000 0.0000
- 11ALA O 106 -0.930 -1.031 1.897 0.0000 0.0000 0.0000
- 12ALA N 107 -0.784 -1.175 1.802 0.0000 0.0000 0.0000
- 12ALA H 108 -0.768 -1.243 1.729 0.0000 0.0000 0.0000
- 12ALA CA 109 -0.663 -1.129 1.868 0.0000 0.0000 0.0000
- 12ALA HA 110 -0.695 -1.097 1.966 0.0000 0.0000 0.0000
- 12ALA CB 111 -0.568 -1.247 1.888 0.0000 0.0000 0.0000
- 12ALA HB1 112 -0.521 -1.271 1.792 0.0000 0.0000 0.0000
- 12ALA HB2 113 -0.628 -1.330 1.924 0.0000 0.0000 0.0000
- 12ALA HB3 114 -0.488 -1.217 1.955 0.0000 0.0000 0.0000
- 12ALA C 115 -0.601 -1.014 1.790 0.0000 0.0000 0.0000
- 12ALA O 116 -0.638 -0.989 1.675 0.0000 0.0000 0.0000
- 13ALA N 117 -0.509 -0.942 1.854 0.0000 0.0000 0.0000
- 13ALA H 118 -0.508 -0.964 1.953 0.0000 0.0000 0.0000
- 13ALA CA 119 -0.423 -0.841 1.796 0.0000 0.0000 0.0000
- 13ALA HA 120 -0.398 -0.873 1.695 0.0000 0.0000 0.0000
- 13ALA CB 121 -0.497 -0.707 1.786 0.0000 0.0000 0.0000
- 13ALA HB1 122 -0.429 -0.630 1.750 0.0000 0.0000 0.0000
- 13ALA HB2 123 -0.545 -0.676 1.878 0.0000 0.0000 0.0000
- 13ALA HB3 124 -0.578 -0.724 1.715 0.0000 0.0000 0.0000
- 13ALA C 125 -0.296 -0.825 1.877 0.0000 0.0000 0.0000
- 13ALA O 126 -0.198 -0.896 1.854 0.0000 0.0000 0.0000
- 14NME N 127 -0.292 -0.739 1.979 0.0000 0.0000 0.0000
- 14NME H 128 -0.373 -0.682 2.001 0.0000 0.0000 0.0000
- 14NME CH3 129 -0.169 -0.709 2.049 0.0000 0.0000 0.0000
- 14NME HH31 130 -0.187 -0.663 2.146 0.0000 0.0000 0.0000
- 14NME HH32 131 -0.115 -0.628 1.999 0.0000 0.0000 0.0000
- 14NME HH33 132 -0.114 -0.802 2.060 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -0.911 -0.240 2.180
+ 1ACE CH3 2 -0.893 -0.335 2.231
+ 1ACE HH32 3 -0.950 -0.350 2.322
+ 1ACE HH33 4 -0.907 -0.417 2.160
+ 1ACE C 5 -0.745 -0.330 2.266
+ 1ACE O 6 -0.691 -0.221 2.283
+ 2ALA N 7 -0.681 -0.448 2.268
+ 2ALA H 8 -0.732 -0.530 2.242
+ 2ALA CA 9 -0.540 -0.460 2.297
+ 2ALA HA 10 -0.488 -0.386 2.235
+ 2ALA CB 11 -0.507 -0.437 2.444
+ 2ALA HB1 12 -0.401 -0.435 2.467
+ 2ALA HB2 13 -0.544 -0.514 2.511
+ 2ALA HB3 14 -0.556 -0.343 2.470
+ 2ALA C 15 -0.491 -0.595 2.247
+ 2ALA O 16 -0.473 -0.613 2.126
+ 3ALA N 17 -0.485 -0.697 2.333
+ 3ALA H 18 -0.512 -0.679 2.429
+ 3ALA CA 19 -0.472 -0.840 2.316
+ 3ALA HA 20 -0.377 -0.852 2.264
+ 3ALA CB 21 -0.461 -0.909 2.451
+ 3ALA HB1 22 -0.376 -0.871 2.508
+ 3ALA HB2 23 -0.451 -1.014 2.425
+ 3ALA HB3 24 -0.549 -0.913 2.516
+ 3ALA C 25 -0.575 -0.906 2.226
+ 3ALA O 26 -0.536 -0.975 2.132
+ 4ALA N 27 -0.704 -0.887 2.257
+ 4ALA H 28 -0.704 -0.806 2.318
+ 4ALA CA 29 -0.820 -0.923 2.179
+ 4ALA HA 30 -0.787 -0.985 2.095
+ 4ALA CB 31 -0.916 -0.996 2.273
+ 4ALA HB1 32 -0.863 -1.079 2.319
+ 4ALA HB2 33 -1.010 -1.033 2.231
+ 4ALA HB3 34 -0.940 -0.926 2.353
+ 4ALA C 35 -0.872 -0.791 2.126
+ 4ALA O 36 -0.827 -0.685 2.168
+ 5ALA N 37 -0.957 -0.790 2.022
+ 5ALA H 38 -0.963 -0.882 1.981
+ 5ALA CA 39 -0.992 -0.679 1.936
+ 5ALA HA 40 -1.014 -0.595 2.001
+ 5ALA CB 41 -0.879 -0.640 1.841
+ 5ALA HB1 42 -0.853 -0.714 1.765
+ 5ALA HB2 43 -0.786 -0.629 1.896
+ 5ALA HB3 44 -0.898 -0.548 1.786
+ 5ALA C 45 -1.118 -0.705 1.853
+ 5ALA O 46 -1.152 -0.822 1.837
+ 6ALA N 47 -1.193 -0.605 1.805
+ 6ALA H 48 -1.160 -0.510 1.805
+ 6ALA CA 49 -1.324 -0.626 1.747
+ 6ALA HA 50 -1.312 -0.716 1.687
+ 6ALA CB 51 -1.437 -0.640 1.849
+ 6ALA HB1 52 -1.533 -0.650 1.799
+ 6ALA HB2 53 -1.436 -0.555 1.918
+ 6ALA HB3 54 -1.413 -0.723 1.916
+ 6ALA C 55 -1.363 -0.509 1.658
+ 6ALA O 56 -1.336 -0.394 1.692
+ 7ALA N 57 -1.421 -0.543 1.543
+ 7ALA H 58 -1.429 -0.644 1.540
+ 7ALA CA 59 -1.490 -0.458 1.448
+ 7ALA HA 60 -1.536 -0.379 1.507
+ 7ALA CB 61 -1.389 -0.380 1.364
+ 7ALA HB1 62 -1.448 -0.310 1.305
+ 7ALA HB2 63 -1.323 -0.443 1.305
+ 7ALA HB3 64 -1.329 -0.316 1.428
+ 7ALA C 65 -1.595 -0.517 1.355
+ 7ALA O 66 -1.715 -0.505 1.374
+ 8ALA N 67 -1.548 -0.602 1.264
+ 8ALA H 68 -1.447 -0.611 1.257
+ 8ALA CA 69 -1.614 -0.708 1.190
+ 8ALA HA 70 -1.721 -0.703 1.210
+ 8ALA CB 71 -1.591 -0.690 1.040
+ 8ALA HB1 72 -1.648 -0.607 0.998
+ 8ALA HB2 73 -1.611 -0.781 0.984
+ 8ALA HB3 74 -1.484 -0.673 1.042
+ 8ALA C 75 -1.555 -0.841 1.237
+ 8ALA O 76 -1.437 -0.871 1.223
+ 9ALA N 77 -1.646 -0.911 1.305
+ 9ALA H 78 -1.736 -0.867 1.314
+ 9ALA CA 79 -1.613 -1.016 1.400
+ 9ALA HA 80 -1.700 -1.054 1.454
+ 9ALA CB 81 -1.558 -1.131 1.316
+ 9ALA HB1 82 -1.457 -1.097 1.292
+ 9ALA HB2 83 -1.622 -1.150 1.229
+ 9ALA HB3 84 -1.560 -1.227 1.366
+ 9ALA C 85 -1.527 -0.959 1.512
+ 9ALA O 86 -1.521 -0.838 1.529
+ 10ALA N 87 -1.468 -1.048 1.592
+ 10ALA H 88 -1.491 -1.146 1.590
+ 10ALA CA 89 -1.367 -1.015 1.691
+ 10ALA HA 90 -1.329 -0.914 1.678
+ 10ALA CB 91 -1.435 -1.017 1.828
+ 10ALA HB1 92 -1.490 -0.923 1.834
+ 10ALA HB2 93 -1.358 -1.025 1.905
+ 10ALA HB3 94 -1.489 -1.109 1.848
+ 10ALA C 95 -1.251 -1.113 1.681
+ 10ALA O 96 -1.267 -1.221 1.625
+ 11ALA N 97 -1.130 -1.073 1.721
+ 11ALA H 98 -1.130 -0.977 1.752
+ 11ALA CA 99 -1.003 -1.138 1.699
+ 11ALA HA 100 -1.012 -1.247 1.693
+ 11ALA CB 101 -0.950 -1.103 1.560
+ 11ALA HB1 102 -0.858 -1.159 1.542
+ 11ALA HB2 103 -0.938 -0.994 1.557
+ 11ALA HB3 104 -1.013 -1.131 1.476
+ 11ALA C 105 -0.901 -1.112 1.809
+ 11ALA O 106 -0.930 -1.031 1.897
+ 12ALA N 107 -0.784 -1.175 1.802
+ 12ALA H 108 -0.768 -1.243 1.729
+ 12ALA CA 109 -0.663 -1.129 1.868
+ 12ALA HA 110 -0.695 -1.097 1.966
+ 12ALA CB 111 -0.568 -1.247 1.888
+ 12ALA HB1 112 -0.521 -1.271 1.792
+ 12ALA HB2 113 -0.628 -1.330 1.924
+ 12ALA HB3 114 -0.488 -1.217 1.955
+ 12ALA C 115 -0.601 -1.014 1.790
+ 12ALA O 116 -0.638 -0.989 1.675
+ 13ALA N 117 -0.509 -0.942 1.854
+ 13ALA H 118 -0.508 -0.964 1.953
+ 13ALA CA 119 -0.423 -0.841 1.796
+ 13ALA HA 120 -0.398 -0.873 1.695
+ 13ALA CB 121 -0.497 -0.707 1.786
+ 13ALA HB1 122 -0.429 -0.630 1.750
+ 13ALA HB2 123 -0.545 -0.676 1.878
+ 13ALA HB3 124 -0.578 -0.724 1.715
+ 13ALA C 125 -0.296 -0.825 1.877
+ 13ALA O 126 -0.198 -0.896 1.854
+ 14NME N 127 -0.292 -0.739 1.979
+ 14NME H 128 -0.373 -0.682 2.001
+ 14NME CH3 129 -0.169 -0.709 2.049
+ 14NME HH31 130 -0.187 -0.663 2.146
+ 14NME HH32 131 -0.115 -0.628 1.999
+ 14NME HH33 132 -0.114 -0.802 2.060
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.050000
132
- 1ACE HH31 1 -0.022 -1.191 1.511 0.0000 0.0000 0.0000
- 1ACE CH3 2 -0.086 -1.241 1.583 0.0000 0.0000 0.0000
- 1ACE HH32 3 -0.085 -1.347 1.559 0.0000 0.0000 0.0000
- 1ACE HH33 4 -0.041 -1.210 1.677 0.0000 0.0000 0.0000
- 1ACE C 5 -0.234 -1.207 1.574 0.0000 0.0000 0.0000
- 1ACE O 6 -0.296 -1.249 1.476 0.0000 0.0000 0.0000
- 2ALA N 7 -0.285 -1.128 1.669 0.0000 0.0000 0.0000
- 2ALA H 8 -0.219 -1.076 1.724 0.0000 0.0000 0.0000
- 2ALA CA 9 -0.423 -1.089 1.690 0.0000 0.0000 0.0000
- 2ALA HA 10 -0.467 -1.054 1.596 0.0000 0.0000 0.0000
- 2ALA CB 11 -0.508 -1.207 1.738 0.0000 0.0000 0.0000
- 2ALA HB1 12 -0.474 -1.239 1.837 0.0000 0.0000 0.0000
- 2ALA HB2 13 -0.488 -1.296 1.679 0.0000 0.0000 0.0000
- 2ALA HB3 14 -0.614 -1.180 1.738 0.0000 0.0000 0.0000
- 2ALA C 15 -0.433 -0.975 1.789 0.0000 0.0000 0.0000
- 2ALA O 16 -0.330 -0.930 1.841 0.0000 0.0000 0.0000
- 3ALA N 17 -0.553 -0.923 1.818 0.0000 0.0000 0.0000
- 3ALA H 18 -0.641 -0.957 1.782 0.0000 0.0000 0.0000
- 3ALA CA 19 -0.579 -0.816 1.911 0.0000 0.0000 0.0000
- 3ALA HA 20 -0.531 -0.825 2.008 0.0000 0.0000 0.0000
- 3ALA CB 21 -0.521 -0.692 1.844 0.0000 0.0000 0.0000
- 3ALA HB1 22 -0.553 -0.687 1.740 0.0000 0.0000 0.0000
- 3ALA HB2 23 -0.412 -0.690 1.848 0.0000 0.0000 0.0000
- 3ALA HB3 24 -0.548 -0.603 1.901 0.0000 0.0000 0.0000
- 3ALA C 25 -0.729 -0.807 1.939 0.0000 0.0000 0.0000
- 3ALA O 26 -0.790 -0.909 1.910 0.0000 0.0000 0.0000
- 4ALA N 27 -0.780 -0.703 2.006 0.0000 0.0000 0.0000
- 4ALA H 28 -0.724 -0.620 2.014 0.0000 0.0000 0.0000
- 4ALA CA 29 -0.923 -0.687 2.019 0.0000 0.0000 0.0000
- 4ALA HA 30 -0.969 -0.739 1.935 0.0000 0.0000 0.0000
- 4ALA CB 31 -0.985 -0.739 2.149 0.0000 0.0000 0.0000
- 4ALA HB1 32 -0.986 -0.847 2.159 0.0000 0.0000 0.0000
- 4ALA HB2 33 -1.089 -0.713 2.162 0.0000 0.0000 0.0000
- 4ALA HB3 34 -0.928 -0.699 2.234 0.0000 0.0000 0.0000
- 4ALA C 35 -0.960 -0.539 2.015 0.0000 0.0000 0.0000
- 4ALA O 36 -0.878 -0.450 2.032 0.0000 0.0000 0.0000
- 5ALA N 37 -1.083 -0.503 1.978 0.0000 0.0000 0.0000
- 5ALA H 38 -1.152 -0.577 1.966 0.0000 0.0000 0.0000
- 5ALA CA 39 -1.136 -0.368 1.973 0.0000 0.0000 0.0000
- 5ALA HA 40 -1.090 -0.303 2.047 0.0000 0.0000 0.0000
- 5ALA CB 41 -1.093 -0.311 1.838 0.0000 0.0000 0.0000
- 5ALA HB1 42 -0.985 -0.301 1.834 0.0000 0.0000 0.0000
- 5ALA HB2 43 -1.117 -0.206 1.827 0.0000 0.0000 0.0000
- 5ALA HB3 44 -1.131 -0.367 1.752 0.0000 0.0000 0.0000
- 5ALA C 45 -1.287 -0.355 1.992 0.0000 0.0000 0.0000
- 5ALA O 46 -1.363 -0.357 1.895 0.0000 0.0000 0.0000
- 6ALA N 47 -1.330 -0.348 2.118 0.0000 0.0000 0.0000
- 6ALA H 48 -1.255 -0.352 2.185 0.0000 0.0000 0.0000
- 6ALA CA 49 -1.466 -0.348 2.167 0.0000 0.0000 0.0000
- 6ALA HA 50 -1.466 -0.369 2.274 0.0000 0.0000 0.0000
- 6ALA CB 51 -1.528 -0.209 2.154 0.0000 0.0000 0.0000
- 6ALA HB1 52 -1.511 -0.171 2.054 0.0000 0.0000 0.0000
- 6ALA HB2 53 -1.487 -0.142 2.230 0.0000 0.0000 0.0000
- 6ALA HB3 54 -1.634 -0.212 2.183 0.0000 0.0000 0.0000
- 6ALA C 55 -1.536 -0.467 2.102 0.0000 0.0000 0.0000
- 6ALA O 56 -1.511 -0.585 2.124 0.0000 0.0000 0.0000
- 7ALA N 57 -1.628 -0.437 2.010 0.0000 0.0000 0.0000
- 7ALA H 58 -1.622 -0.343 1.973 0.0000 0.0000 0.0000
- 7ALA CA 59 -1.720 -0.525 1.940 0.0000 0.0000 0.0000
- 7ALA HA 60 -1.786 -0.574 2.010 0.0000 0.0000 0.0000
- 7ALA CB 61 -1.803 -0.437 1.847 0.0000 0.0000 0.0000
- 7ALA HB1 62 -1.738 -0.389 1.774 0.0000 0.0000 0.0000
- 7ALA HB2 63 -1.841 -0.359 1.914 0.0000 0.0000 0.0000
- 7ALA HB3 64 -1.871 -0.502 1.793 0.0000 0.0000 0.0000
- 7ALA C 65 -1.648 -0.622 1.848 0.0000 0.0000 0.0000
- 7ALA O 66 -1.697 -0.734 1.832 0.0000 0.0000 0.0000
- 8ALA N 67 -1.533 -0.582 1.793 0.0000 0.0000 0.0000
- 8ALA H 68 -1.501 -0.493 1.826 0.0000 0.0000 0.0000
- 8ALA CA 69 -1.430 -0.679 1.760 0.0000 0.0000 0.0000
- 8ALA HA 70 -1.471 -0.765 1.707 0.0000 0.0000 0.0000
- 8ALA CB 71 -1.332 -0.608 1.667 0.0000 0.0000 0.0000
- 8ALA HB1 72 -1.287 -0.682 1.602 0.0000 0.0000 0.0000
- 8ALA HB2 73 -1.257 -0.548 1.719 0.0000 0.0000 0.0000
- 8ALA HB3 74 -1.390 -0.536 1.609 0.0000 0.0000 0.0000
- 8ALA C 75 -1.378 -0.744 1.888 0.0000 0.0000 0.0000
- 8ALA O 76 -1.275 -0.704 1.942 0.0000 0.0000 0.0000
- 9ALA N 77 -1.452 -0.839 1.946 0.0000 0.0000 0.0000
- 9ALA H 78 -1.538 -0.859 1.897 0.0000 0.0000 0.0000
- 9ALA CA 79 -1.419 -0.903 2.072 0.0000 0.0000 0.0000
- 9ALA HA 80 -1.420 -0.833 2.156 0.0000 0.0000 0.0000
- 9ALA CB 81 -1.531 -0.994 2.122 0.0000 0.0000 0.0000
- 9ALA HB1 82 -1.511 -1.010 2.228 0.0000 0.0000 0.0000
- 9ALA HB2 83 -1.531 -1.091 2.073 0.0000 0.0000 0.0000
- 9ALA HB3 84 -1.630 -0.955 2.097 0.0000 0.0000 0.0000
- 9ALA C 85 -1.283 -0.970 2.072 0.0000 0.0000 0.0000
- 9ALA O 86 -1.228 -0.985 2.181 0.0000 0.0000 0.0000
- 10ALA N 87 -1.243 -1.021 1.955 0.0000 0.0000 0.0000
- 10ALA H 88 -1.303 -1.005 1.876 0.0000 0.0000 0.0000
- 10ALA CA 89 -1.115 -1.079 1.918 0.0000 0.0000 0.0000
- 10ALA HA 90 -1.031 -1.040 1.975 0.0000 0.0000 0.0000
- 10ALA CB 91 -1.127 -1.229 1.941 0.0000 0.0000 0.0000
- 10ALA HB1 92 -1.210 -1.273 1.887 0.0000 0.0000 0.0000
- 10ALA HB2 93 -1.126 -1.256 2.047 0.0000 0.0000 0.0000
- 10ALA HB3 94 -1.043 -1.286 1.901 0.0000 0.0000 0.0000
- 10ALA C 95 -1.100 -1.066 1.767 0.0000 0.0000 0.0000
- 10ALA O 96 -1.203 -1.084 1.703 0.0000 0.0000 0.0000
- 11ALA N 97 -0.980 -1.044 1.712 0.0000 0.0000 0.0000
- 11ALA H 98 -0.897 -1.014 1.760 0.0000 0.0000 0.0000
- 11ALA CA 99 -0.959 -1.027 1.570 0.0000 0.0000 0.0000
- 11ALA HA 100 -1.029 -1.091 1.518 0.0000 0.0000 0.0000
- 11ALA CB 101 -0.985 -0.884 1.522 0.0000 0.0000 0.0000
- 11ALA HB1 102 -0.933 -0.812 1.585 0.0000 0.0000 0.0000
- 11ALA HB2 103 -1.088 -0.847 1.527 0.0000 0.0000 0.0000
- 11ALA HB3 104 -0.955 -0.878 1.418 0.0000 0.0000 0.0000
- 11ALA C 105 -0.818 -1.079 1.542 0.0000 0.0000 0.0000
- 11ALA O 106 -0.720 -1.010 1.567 0.0000 0.0000 0.0000
- 12ALA N 107 -0.810 -1.192 1.471 0.0000 0.0000 0.0000
- 12ALA H 108 -0.899 -1.232 1.447 0.0000 0.0000 0.0000
- 12ALA CA 109 -0.694 -1.250 1.405 0.0000 0.0000 0.0000
- 12ALA HA 110 -0.616 -1.248 1.481 0.0000 0.0000 0.0000
- 12ALA CB 111 -0.729 -1.394 1.371 0.0000 0.0000 0.0000
- 12ALA HB1 112 -0.756 -1.445 1.464 0.0000 0.0000 0.0000
- 12ALA HB2 113 -0.635 -1.447 1.353 0.0000 0.0000 0.0000
- 12ALA HB3 114 -0.810 -1.405 1.299 0.0000 0.0000 0.0000
- 12ALA C 115 -0.643 -1.158 1.295 0.0000 0.0000 0.0000
- 12ALA O 116 -0.717 -1.094 1.220 0.0000 0.0000 0.0000
- 13ALA N 117 -0.510 -1.144 1.290 0.0000 0.0000 0.0000
- 13ALA H 118 -0.454 -1.190 1.361 0.0000 0.0000 0.0000
- 13ALA CA 119 -0.445 -1.053 1.199 0.0000 0.0000 0.0000
- 13ALA HA 120 -0.510 -1.024 1.117 0.0000 0.0000 0.0000
- 13ALA CB 121 -0.388 -0.929 1.268 0.0000 0.0000 0.0000
- 13ALA HB1 122 -0.291 -0.949 1.314 0.0000 0.0000 0.0000
- 13ALA HB2 123 -0.462 -0.882 1.333 0.0000 0.0000 0.0000
- 13ALA HB3 124 -0.372 -0.861 1.185 0.0000 0.0000 0.0000
- 13ALA C 125 -0.332 -1.121 1.123 0.0000 0.0000 0.0000
- 13ALA O 126 -0.322 -1.111 1.001 0.0000 0.0000 0.0000
- 14NME N 127 -0.249 -1.196 1.196 0.0000 0.0000 0.0000
- 14NME H 128 -0.277 -1.213 1.292 0.0000 0.0000 0.0000
- 14NME CH3 129 -0.133 -1.261 1.139 0.0000 0.0000 0.0000
- 14NME HH31 130 -0.121 -1.218 1.040 0.0000 0.0000 0.0000
- 14NME HH32 131 -0.148 -1.369 1.146 0.0000 0.0000 0.0000
- 14NME HH33 132 -0.043 -1.233 1.193 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -0.022 -1.191 1.511
+ 1ACE CH3 2 -0.086 -1.241 1.583
+ 1ACE HH32 3 -0.085 -1.347 1.559
+ 1ACE HH33 4 -0.041 -1.210 1.677
+ 1ACE C 5 -0.234 -1.207 1.574
+ 1ACE O 6 -0.296 -1.249 1.476
+ 2ALA N 7 -0.285 -1.128 1.669
+ 2ALA H 8 -0.219 -1.076 1.724
+ 2ALA CA 9 -0.423 -1.089 1.690
+ 2ALA HA 10 -0.467 -1.054 1.596
+ 2ALA CB 11 -0.508 -1.207 1.738
+ 2ALA HB1 12 -0.474 -1.239 1.837
+ 2ALA HB2 13 -0.488 -1.296 1.679
+ 2ALA HB3 14 -0.614 -1.180 1.738
+ 2ALA C 15 -0.433 -0.975 1.789
+ 2ALA O 16 -0.330 -0.930 1.841
+ 3ALA N 17 -0.553 -0.923 1.818
+ 3ALA H 18 -0.641 -0.957 1.782
+ 3ALA CA 19 -0.579 -0.816 1.911
+ 3ALA HA 20 -0.531 -0.825 2.008
+ 3ALA CB 21 -0.521 -0.692 1.844
+ 3ALA HB1 22 -0.553 -0.687 1.740
+ 3ALA HB2 23 -0.412 -0.690 1.848
+ 3ALA HB3 24 -0.548 -0.603 1.901
+ 3ALA C 25 -0.729 -0.807 1.939
+ 3ALA O 26 -0.790 -0.909 1.910
+ 4ALA N 27 -0.780 -0.703 2.006
+ 4ALA H 28 -0.724 -0.620 2.014
+ 4ALA CA 29 -0.923 -0.687 2.019
+ 4ALA HA 30 -0.969 -0.739 1.935
+ 4ALA CB 31 -0.985 -0.739 2.149
+ 4ALA HB1 32 -0.986 -0.847 2.159
+ 4ALA HB2 33 -1.089 -0.713 2.162
+ 4ALA HB3 34 -0.928 -0.699 2.234
+ 4ALA C 35 -0.960 -0.539 2.015
+ 4ALA O 36 -0.878 -0.450 2.032
+ 5ALA N 37 -1.083 -0.503 1.978
+ 5ALA H 38 -1.152 -0.577 1.966
+ 5ALA CA 39 -1.136 -0.368 1.973
+ 5ALA HA 40 -1.090 -0.303 2.047
+ 5ALA CB 41 -1.093 -0.311 1.838
+ 5ALA HB1 42 -0.985 -0.301 1.834
+ 5ALA HB2 43 -1.117 -0.206 1.827
+ 5ALA HB3 44 -1.131 -0.367 1.752
+ 5ALA C 45 -1.287 -0.355 1.992
+ 5ALA O 46 -1.363 -0.357 1.895
+ 6ALA N 47 -1.330 -0.348 2.118
+ 6ALA H 48 -1.255 -0.352 2.185
+ 6ALA CA 49 -1.466 -0.348 2.167
+ 6ALA HA 50 -1.466 -0.369 2.274
+ 6ALA CB 51 -1.528 -0.209 2.154
+ 6ALA HB1 52 -1.511 -0.171 2.054
+ 6ALA HB2 53 -1.487 -0.142 2.230
+ 6ALA HB3 54 -1.634 -0.212 2.183
+ 6ALA C 55 -1.536 -0.467 2.102
+ 6ALA O 56 -1.511 -0.585 2.124
+ 7ALA N 57 -1.628 -0.437 2.010
+ 7ALA H 58 -1.622 -0.343 1.973
+ 7ALA CA 59 -1.720 -0.525 1.940
+ 7ALA HA 60 -1.786 -0.574 2.010
+ 7ALA CB 61 -1.803 -0.437 1.847
+ 7ALA HB1 62 -1.738 -0.389 1.774
+ 7ALA HB2 63 -1.841 -0.359 1.914
+ 7ALA HB3 64 -1.871 -0.502 1.793
+ 7ALA C 65 -1.648 -0.622 1.848
+ 7ALA O 66 -1.697 -0.734 1.832
+ 8ALA N 67 -1.533 -0.582 1.793
+ 8ALA H 68 -1.501 -0.493 1.826
+ 8ALA CA 69 -1.430 -0.679 1.760
+ 8ALA HA 70 -1.471 -0.765 1.707
+ 8ALA CB 71 -1.332 -0.608 1.667
+ 8ALA HB1 72 -1.287 -0.682 1.602
+ 8ALA HB2 73 -1.257 -0.548 1.719
+ 8ALA HB3 74 -1.390 -0.536 1.609
+ 8ALA C 75 -1.378 -0.744 1.888
+ 8ALA O 76 -1.275 -0.704 1.942
+ 9ALA N 77 -1.452 -0.839 1.946
+ 9ALA H 78 -1.538 -0.859 1.897
+ 9ALA CA 79 -1.419 -0.903 2.072
+ 9ALA HA 80 -1.420 -0.833 2.156
+ 9ALA CB 81 -1.531 -0.994 2.122
+ 9ALA HB1 82 -1.511 -1.010 2.228
+ 9ALA HB2 83 -1.531 -1.091 2.073
+ 9ALA HB3 84 -1.630 -0.955 2.097
+ 9ALA C 85 -1.283 -0.970 2.072
+ 9ALA O 86 -1.228 -0.985 2.181
+ 10ALA N 87 -1.243 -1.021 1.955
+ 10ALA H 88 -1.303 -1.005 1.876
+ 10ALA CA 89 -1.115 -1.079 1.918
+ 10ALA HA 90 -1.031 -1.040 1.975
+ 10ALA CB 91 -1.127 -1.229 1.941
+ 10ALA HB1 92 -1.210 -1.273 1.887
+ 10ALA HB2 93 -1.126 -1.256 2.047
+ 10ALA HB3 94 -1.043 -1.286 1.901
+ 10ALA C 95 -1.100 -1.066 1.767
+ 10ALA O 96 -1.203 -1.084 1.703
+ 11ALA N 97 -0.980 -1.044 1.712
+ 11ALA H 98 -0.897 -1.014 1.760
+ 11ALA CA 99 -0.959 -1.027 1.570
+ 11ALA HA 100 -1.029 -1.091 1.518
+ 11ALA CB 101 -0.985 -0.884 1.522
+ 11ALA HB1 102 -0.933 -0.812 1.585
+ 11ALA HB2 103 -1.088 -0.847 1.527
+ 11ALA HB3 104 -0.955 -0.878 1.418
+ 11ALA C 105 -0.818 -1.079 1.542
+ 11ALA O 106 -0.720 -1.010 1.567
+ 12ALA N 107 -0.810 -1.192 1.471
+ 12ALA H 108 -0.899 -1.232 1.447
+ 12ALA CA 109 -0.694 -1.250 1.405
+ 12ALA HA 110 -0.616 -1.248 1.481
+ 12ALA CB 111 -0.729 -1.394 1.371
+ 12ALA HB1 112 -0.756 -1.445 1.464
+ 12ALA HB2 113 -0.635 -1.447 1.353
+ 12ALA HB3 114 -0.810 -1.405 1.299
+ 12ALA C 115 -0.643 -1.158 1.295
+ 12ALA O 116 -0.717 -1.094 1.220
+ 13ALA N 117 -0.510 -1.144 1.290
+ 13ALA H 118 -0.454 -1.190 1.361
+ 13ALA CA 119 -0.445 -1.053 1.199
+ 13ALA HA 120 -0.510 -1.024 1.117
+ 13ALA CB 121 -0.388 -0.929 1.268
+ 13ALA HB1 122 -0.291 -0.949 1.314
+ 13ALA HB2 123 -0.462 -0.882 1.333
+ 13ALA HB3 124 -0.372 -0.861 1.185
+ 13ALA C 125 -0.332 -1.121 1.123
+ 13ALA O 126 -0.322 -1.111 1.001
+ 14NME N 127 -0.249 -1.196 1.196
+ 14NME H 128 -0.277 -1.213 1.292
+ 14NME CH3 129 -0.133 -1.261 1.139
+ 14NME HH31 130 -0.121 -1.218 1.040
+ 14NME HH32 131 -0.148 -1.369 1.146
+ 14NME HH33 132 -0.043 -1.233 1.193
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.100000
132
- 1ACE HH31 1 -1.697 -0.728 1.714 0.0000 0.0000 0.0000
- 1ACE CH3 2 -1.714 -0.818 1.773 0.0000 0.0000 0.0000
- 1ACE HH32 3 -1.805 -0.789 1.825 0.0000 0.0000 0.0000
- 1ACE HH33 4 -1.737 -0.908 1.716 0.0000 0.0000 0.0000
- 1ACE C 5 -1.589 -0.834 1.859 0.0000 0.0000 0.0000
- 1ACE O 6 -1.546 -0.746 1.933 0.0000 0.0000 0.0000
- 2ALA N 7 -1.531 -0.952 1.836 0.0000 0.0000 0.0000
- 2ALA H 8 -1.561 -1.001 1.753 0.0000 0.0000 0.0000
- 2ALA CA 9 -1.432 -1.004 1.929 0.0000 0.0000 0.0000
- 2ALA HA 10 -1.452 -0.954 2.023 0.0000 0.0000 0.0000
- 2ALA CB 11 -1.453 -1.154 1.948 0.0000 0.0000 0.0000
- 2ALA HB1 12 -1.407 -1.191 2.039 0.0000 0.0000 0.0000
- 2ALA HB2 13 -1.410 -1.201 1.859 0.0000 0.0000 0.0000
- 2ALA HB3 14 -1.555 -1.188 1.965 0.0000 0.0000 0.0000
- 2ALA C 15 -1.294 -0.951 1.891 0.0000 0.0000 0.0000
- 2ALA O 16 -1.280 -0.855 1.817 0.0000 0.0000 0.0000
- 3ALA N 17 -1.192 -1.021 1.941 0.0000 0.0000 0.0000
- 3ALA H 18 -1.201 -1.119 1.963 0.0000 0.0000 0.0000
- 3ALA CA 19 -1.057 -0.971 1.960 0.0000 0.0000 0.0000
- 3ALA HA 20 -1.053 -0.890 2.033 0.0000 0.0000 0.0000
- 3ALA CB 21 -0.982 -1.088 2.022 0.0000 0.0000 0.0000
- 3ALA HB1 22 -0.974 -1.181 1.966 0.0000 0.0000 0.0000
- 3ALA HB2 23 -1.031 -1.118 2.115 0.0000 0.0000 0.0000
- 3ALA HB3 24 -0.879 -1.056 2.038 0.0000 0.0000 0.0000
- 3ALA C 25 -0.995 -0.918 1.831 0.0000 0.0000 0.0000
- 3ALA O 26 -0.983 -0.990 1.732 0.0000 0.0000 0.0000
- 4ALA N 27 -0.950 -0.793 1.847 0.0000 0.0000 0.0000
- 4ALA H 28 -0.967 -0.746 1.935 0.0000 0.0000 0.0000
- 4ALA CA 29 -0.886 -0.719 1.741 0.0000 0.0000 0.0000
- 4ALA HA 30 -0.852 -0.785 1.661 0.0000 0.0000 0.0000
- 4ALA CB 31 -0.994 -0.632 1.677 0.0000 0.0000 0.0000
- 4ALA HB1 32 -1.011 -0.544 1.738 0.0000 0.0000 0.0000
- 4ALA HB2 33 -1.079 -0.697 1.653 0.0000 0.0000 0.0000
- 4ALA HB3 34 -0.963 -0.587 1.582 0.0000 0.0000 0.0000
- 4ALA C 35 -0.759 -0.647 1.785 0.0000 0.0000 0.0000
- 4ALA O 36 -0.766 -0.543 1.851 0.0000 0.0000 0.0000
- 5ALA N 37 -0.645 -0.711 1.760 0.0000 0.0000 0.0000
- 5ALA H 38 -0.665 -0.794 1.706 0.0000 0.0000 0.0000
- 5ALA CA 39 -0.512 -0.693 1.813 0.0000 0.0000 0.0000
- 5ALA HA 40 -0.467 -0.792 1.804 0.0000 0.0000 0.0000
- 5ALA CB 41 -0.436 -0.588 1.732 0.0000 0.0000 0.0000
- 5ALA HB1 42 -0.469 -0.484 1.743 0.0000 0.0000 0.0000
- 5ALA HB2 43 -0.436 -0.623 1.629 0.0000 0.0000 0.0000
- 5ALA HB3 44 -0.332 -0.579 1.764 0.0000 0.0000 0.0000
- 5ALA C 45 -0.503 -0.659 1.961 0.0000 0.0000 0.0000
- 5ALA O 46 -0.453 -0.741 2.038 0.0000 0.0000 0.0000
- 6ALA N 47 -0.545 -0.540 2.003 0.0000 0.0000 0.0000
- 6ALA H 48 -0.586 -0.482 1.931 0.0000 0.0000 0.0000
- 6ALA CA 49 -0.528 -0.485 2.137 0.0000 0.0000 0.0000
- 6ALA HA 50 -0.511 -0.569 2.205 0.0000 0.0000 0.0000
- 6ALA CB 51 -0.416 -0.382 2.142 0.0000 0.0000 0.0000
- 6ALA HB1 52 -0.328 -0.424 2.094 0.0000 0.0000 0.0000
- 6ALA HB2 53 -0.404 -0.342 2.242 0.0000 0.0000 0.0000
- 6ALA HB3 54 -0.448 -0.297 2.081 0.0000 0.0000 0.0000
- 6ALA C 55 -0.661 -0.426 2.182 0.0000 0.0000 0.0000
- 6ALA O 56 -0.671 -0.377 2.294 0.0000 0.0000 0.0000
- 7ALA N 57 -0.768 -0.431 2.103 0.0000 0.0000 0.0000
- 7ALA H 58 -0.754 -0.484 2.018 0.0000 0.0000 0.0000
- 7ALA CA 59 -0.905 -0.403 2.144 0.0000 0.0000 0.0000
- 7ALA HA 60 -0.904 -0.404 2.253 0.0000 0.0000 0.0000
- 7ALA CB 61 -0.944 -0.264 2.094 0.0000 0.0000 0.0000
- 7ALA HB1 62 -0.870 -0.189 2.124 0.0000 0.0000 0.0000
- 7ALA HB2 63 -1.039 -0.247 2.145 0.0000 0.0000 0.0000
- 7ALA HB3 64 -0.944 -0.267 1.985 0.0000 0.0000 0.0000
- 7ALA C 65 -0.996 -0.513 2.092 0.0000 0.0000 0.0000
- 7ALA O 66 -0.951 -0.625 2.069 0.0000 0.0000 0.0000
- 8ALA N 67 -1.125 -0.490 2.067 0.0000 0.0000 0.0000
- 8ALA H 68 -1.166 -0.398 2.071 0.0000 0.0000 0.0000
- 8ALA CA 69 -1.224 -0.586 2.022 0.0000 0.0000 0.0000
- 8ALA HA 70 -1.162 -0.666 1.980 0.0000 0.0000 0.0000
- 8ALA CB 71 -1.293 -0.643 2.146 0.0000 0.0000 0.0000
- 8ALA HB1 72 -1.365 -0.719 2.115 0.0000 0.0000 0.0000
- 8ALA HB2 73 -1.349 -0.572 2.206 0.0000 0.0000 0.0000
- 8ALA HB3 74 -1.212 -0.688 2.204 0.0000 0.0000 0.0000
- 8ALA C 75 -1.306 -0.520 1.913 0.0000 0.0000 0.0000
- 8ALA O 76 -1.346 -0.405 1.929 0.0000 0.0000 0.0000
- 9ALA N 77 -1.310 -0.579 1.793 0.0000 0.0000 0.0000
- 9ALA H 78 -1.301 -0.679 1.803 0.0000 0.0000 0.0000
- 9ALA CA 79 -1.367 -0.524 1.671 0.0000 0.0000 0.0000
- 9ALA HA 80 -1.448 -0.458 1.703 0.0000 0.0000 0.0000
- 9ALA CB 81 -1.268 -0.430 1.604 0.0000 0.0000 0.0000
- 9ALA HB1 82 -1.303 -0.369 1.520 0.0000 0.0000 0.0000
- 9ALA HB2 83 -1.186 -0.494 1.569 0.0000 0.0000 0.0000
- 9ALA HB3 84 -1.228 -0.359 1.676 0.0000 0.0000 0.0000
- 9ALA C 85 -1.431 -0.623 1.575 0.0000 0.0000 0.0000
- 9ALA O 86 -1.532 -0.590 1.514 0.0000 0.0000 0.0000
- 10ALA N 87 -1.381 -0.746 1.565 0.0000 0.0000 0.0000
- 10ALA H 88 -1.308 -0.771 1.630 0.0000 0.0000 0.0000
- 10ALA CA 89 -1.417 -0.849 1.469 0.0000 0.0000 0.0000
- 10ALA HA 90 -1.517 -0.824 1.436 0.0000 0.0000 0.0000
- 10ALA CB 91 -1.312 -0.840 1.358 0.0000 0.0000 0.0000
- 10ALA HB1 92 -1.210 -0.831 1.396 0.0000 0.0000 0.0000
- 10ALA HB2 93 -1.328 -0.745 1.307 0.0000 0.0000 0.0000
- 10ALA HB3 94 -1.312 -0.928 1.294 0.0000 0.0000 0.0000
- 10ALA C 95 -1.425 -0.986 1.536 0.0000 0.0000 0.0000
- 10ALA O 96 -1.535 -1.029 1.569 0.0000 0.0000 0.0000
- 11ALA N 97 -1.317 -1.064 1.536 0.0000 0.0000 0.0000
- 11ALA H 98 -1.232 -1.016 1.508 0.0000 0.0000 0.0000
- 11ALA CA 99 -1.321 -1.203 1.577 0.0000 0.0000 0.0000
- 11ALA HA 100 -1.398 -1.217 1.653 0.0000 0.0000 0.0000
- 11ALA CB 101 -1.344 -1.289 1.453 0.0000 0.0000 0.0000
- 11ALA HB1 102 -1.261 -1.275 1.384 0.0000 0.0000 0.0000
- 11ALA HB2 103 -1.440 -1.269 1.404 0.0000 0.0000 0.0000
- 11ALA HB3 104 -1.343 -1.396 1.470 0.0000 0.0000 0.0000
- 11ALA C 105 -1.188 -1.238 1.643 0.0000 0.0000 0.0000
- 11ALA O 106 -1.182 -1.247 1.765 0.0000 0.0000 0.0000
- 12ALA N 107 -1.085 -1.285 1.572 0.0000 0.0000 0.0000
- 12ALA H 108 -1.102 -1.284 1.473 0.0000 0.0000 0.0000
- 12ALA CA 109 -0.963 -1.350 1.614 0.0000 0.0000 0.0000
- 12ALA HA 110 -0.942 -1.307 1.712 0.0000 0.0000 0.0000
- 12ALA CB 111 -0.979 -1.500 1.633 0.0000 0.0000 0.0000
- 12ALA HB1 112 -1.079 -1.506 1.676 0.0000 0.0000 0.0000
- 12ALA HB2 113 -0.904 -1.532 1.705 0.0000 0.0000 0.0000
- 12ALA HB3 114 -0.969 -1.553 1.538 0.0000 0.0000 0.0000
- 12ALA C 115 -0.841 -1.312 1.530 0.0000 0.0000 0.0000
- 12ALA O 116 -0.781 -1.391 1.458 0.0000 0.0000 0.0000
- 13ALA N 117 -0.811 -1.183 1.538 0.0000 0.0000 0.0000
- 13ALA H 118 -0.861 -1.116 1.595 0.0000 0.0000 0.0000
- 13ALA CA 119 -0.689 -1.136 1.476 0.0000 0.0000 0.0000
- 13ALA HA 120 -0.633 -1.218 1.429 0.0000 0.0000 0.0000
- 13ALA CB 121 -0.704 -1.034 1.364 0.0000 0.0000 0.0000
- 13ALA HB1 122 -0.611 -1.006 1.316 0.0000 0.0000 0.0000
- 13ALA HB2 123 -0.757 -0.947 1.402 0.0000 0.0000 0.0000
- 13ALA HB3 124 -0.759 -1.090 1.288 0.0000 0.0000 0.0000
- 13ALA C 125 -0.608 -1.070 1.586 0.0000 0.0000 0.0000
- 13ALA O 126 -0.634 -0.959 1.630 0.0000 0.0000 0.0000
- 14NME N 127 -0.501 -1.137 1.632 0.0000 0.0000 0.0000
- 14NME H 128 -0.480 -1.229 1.596 0.0000 0.0000 0.0000
- 14NME CH3 129 -0.405 -1.081 1.724 0.0000 0.0000 0.0000
- 14NME HH31 130 -0.330 -1.159 1.742 0.0000 0.0000 0.0000
- 14NME HH32 131 -0.445 -1.056 1.822 0.0000 0.0000 0.0000
- 14NME HH33 132 -0.351 -0.995 1.683 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -1.697 -0.728 1.714
+ 1ACE CH3 2 -1.714 -0.818 1.773
+ 1ACE HH32 3 -1.805 -0.789 1.825
+ 1ACE HH33 4 -1.737 -0.908 1.716
+ 1ACE C 5 -1.589 -0.834 1.859
+ 1ACE O 6 -1.546 -0.746 1.933
+ 2ALA N 7 -1.531 -0.952 1.836
+ 2ALA H 8 -1.561 -1.001 1.753
+ 2ALA CA 9 -1.432 -1.004 1.929
+ 2ALA HA 10 -1.452 -0.954 2.023
+ 2ALA CB 11 -1.453 -1.154 1.948
+ 2ALA HB1 12 -1.407 -1.191 2.039
+ 2ALA HB2 13 -1.410 -1.201 1.859
+ 2ALA HB3 14 -1.555 -1.188 1.965
+ 2ALA C 15 -1.294 -0.951 1.891
+ 2ALA O 16 -1.280 -0.855 1.817
+ 3ALA N 17 -1.192 -1.021 1.941
+ 3ALA H 18 -1.201 -1.119 1.963
+ 3ALA CA 19 -1.057 -0.971 1.960
+ 3ALA HA 20 -1.053 -0.890 2.033
+ 3ALA CB 21 -0.982 -1.088 2.022
+ 3ALA HB1 22 -0.974 -1.181 1.966
+ 3ALA HB2 23 -1.031 -1.118 2.115
+ 3ALA HB3 24 -0.879 -1.056 2.038
+ 3ALA C 25 -0.995 -0.918 1.831
+ 3ALA O 26 -0.983 -0.990 1.732
+ 4ALA N 27 -0.950 -0.793 1.847
+ 4ALA H 28 -0.967 -0.746 1.935
+ 4ALA CA 29 -0.886 -0.719 1.741
+ 4ALA HA 30 -0.852 -0.785 1.661
+ 4ALA CB 31 -0.994 -0.632 1.677
+ 4ALA HB1 32 -1.011 -0.544 1.738
+ 4ALA HB2 33 -1.079 -0.697 1.653
+ 4ALA HB3 34 -0.963 -0.587 1.582
+ 4ALA C 35 -0.759 -0.647 1.785
+ 4ALA O 36 -0.766 -0.543 1.851
+ 5ALA N 37 -0.645 -0.711 1.760
+ 5ALA H 38 -0.665 -0.794 1.706
+ 5ALA CA 39 -0.512 -0.693 1.813
+ 5ALA HA 40 -0.467 -0.792 1.804
+ 5ALA CB 41 -0.436 -0.588 1.732
+ 5ALA HB1 42 -0.469 -0.484 1.743
+ 5ALA HB2 43 -0.436 -0.623 1.629
+ 5ALA HB3 44 -0.332 -0.579 1.764
+ 5ALA C 45 -0.503 -0.659 1.961
+ 5ALA O 46 -0.453 -0.741 2.038
+ 6ALA N 47 -0.545 -0.540 2.003
+ 6ALA H 48 -0.586 -0.482 1.931
+ 6ALA CA 49 -0.528 -0.485 2.137
+ 6ALA HA 50 -0.511 -0.569 2.205
+ 6ALA CB 51 -0.416 -0.382 2.142
+ 6ALA HB1 52 -0.328 -0.424 2.094
+ 6ALA HB2 53 -0.404 -0.342 2.242
+ 6ALA HB3 54 -0.448 -0.297 2.081
+ 6ALA C 55 -0.661 -0.426 2.182
+ 6ALA O 56 -0.671 -0.377 2.294
+ 7ALA N 57 -0.768 -0.431 2.103
+ 7ALA H 58 -0.754 -0.484 2.018
+ 7ALA CA 59 -0.905 -0.403 2.144
+ 7ALA HA 60 -0.904 -0.404 2.253
+ 7ALA CB 61 -0.944 -0.264 2.094
+ 7ALA HB1 62 -0.870 -0.189 2.124
+ 7ALA HB2 63 -1.039 -0.247 2.145
+ 7ALA HB3 64 -0.944 -0.267 1.985
+ 7ALA C 65 -0.996 -0.513 2.092
+ 7ALA O 66 -0.951 -0.625 2.069
+ 8ALA N 67 -1.125 -0.490 2.067
+ 8ALA H 68 -1.166 -0.398 2.071
+ 8ALA CA 69 -1.224 -0.586 2.022
+ 8ALA HA 70 -1.162 -0.666 1.980
+ 8ALA CB 71 -1.293 -0.643 2.146
+ 8ALA HB1 72 -1.365 -0.719 2.115
+ 8ALA HB2 73 -1.349 -0.572 2.206
+ 8ALA HB3 74 -1.212 -0.688 2.204
+ 8ALA C 75 -1.306 -0.520 1.913
+ 8ALA O 76 -1.346 -0.405 1.929
+ 9ALA N 77 -1.310 -0.579 1.793
+ 9ALA H 78 -1.301 -0.679 1.803
+ 9ALA CA 79 -1.367 -0.524 1.671
+ 9ALA HA 80 -1.448 -0.458 1.703
+ 9ALA CB 81 -1.268 -0.430 1.604
+ 9ALA HB1 82 -1.303 -0.369 1.520
+ 9ALA HB2 83 -1.186 -0.494 1.569
+ 9ALA HB3 84 -1.228 -0.359 1.676
+ 9ALA C 85 -1.431 -0.623 1.575
+ 9ALA O 86 -1.532 -0.590 1.514
+ 10ALA N 87 -1.381 -0.746 1.565
+ 10ALA H 88 -1.308 -0.771 1.630
+ 10ALA CA 89 -1.417 -0.849 1.469
+ 10ALA HA 90 -1.517 -0.824 1.436
+ 10ALA CB 91 -1.312 -0.840 1.358
+ 10ALA HB1 92 -1.210 -0.831 1.396
+ 10ALA HB2 93 -1.328 -0.745 1.307
+ 10ALA HB3 94 -1.312 -0.928 1.294
+ 10ALA C 95 -1.425 -0.986 1.536
+ 10ALA O 96 -1.535 -1.029 1.569
+ 11ALA N 97 -1.317 -1.064 1.536
+ 11ALA H 98 -1.232 -1.016 1.508
+ 11ALA CA 99 -1.321 -1.203 1.577
+ 11ALA HA 100 -1.398 -1.217 1.653
+ 11ALA CB 101 -1.344 -1.289 1.453
+ 11ALA HB1 102 -1.261 -1.275 1.384
+ 11ALA HB2 103 -1.440 -1.269 1.404
+ 11ALA HB3 104 -1.343 -1.396 1.470
+ 11ALA C 105 -1.188 -1.238 1.643
+ 11ALA O 106 -1.182 -1.247 1.765
+ 12ALA N 107 -1.085 -1.285 1.572
+ 12ALA H 108 -1.102 -1.284 1.473
+ 12ALA CA 109 -0.963 -1.350 1.614
+ 12ALA HA 110 -0.942 -1.307 1.712
+ 12ALA CB 111 -0.979 -1.500 1.633
+ 12ALA HB1 112 -1.079 -1.506 1.676
+ 12ALA HB2 113 -0.904 -1.532 1.705
+ 12ALA HB3 114 -0.969 -1.553 1.538
+ 12ALA C 115 -0.841 -1.312 1.530
+ 12ALA O 116 -0.781 -1.391 1.458
+ 13ALA N 117 -0.811 -1.183 1.538
+ 13ALA H 118 -0.861 -1.116 1.595
+ 13ALA CA 119 -0.689 -1.136 1.476
+ 13ALA HA 120 -0.633 -1.218 1.429
+ 13ALA CB 121 -0.704 -1.034 1.364
+ 13ALA HB1 122 -0.611 -1.006 1.316
+ 13ALA HB2 123 -0.757 -0.947 1.402
+ 13ALA HB3 124 -0.759 -1.090 1.288
+ 13ALA C 125 -0.608 -1.070 1.586
+ 13ALA O 126 -0.634 -0.959 1.630
+ 14NME N 127 -0.501 -1.137 1.632
+ 14NME H 128 -0.480 -1.229 1.596
+ 14NME CH3 129 -0.405 -1.081 1.724
+ 14NME HH31 130 -0.330 -1.159 1.742
+ 14NME HH32 131 -0.445 -1.056 1.822
+ 14NME HH33 132 -0.351 -0.995 1.683
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.150000
132
- 1ACE HH31 1 -0.559 -1.143 2.590 0.0000 0.0000 0.0000
- 1ACE CH3 2 -0.542 -1.233 2.531 0.0000 0.0000 0.0000
- 1ACE HH32 3 -0.439 -1.267 2.525 0.0000 0.0000 0.0000
- 1ACE HH33 4 -0.595 -1.312 2.584 0.0000 0.0000 0.0000
- 1ACE C 5 -0.611 -1.201 2.399 0.0000 0.0000 0.0000
- 1ACE O 6 -0.594 -1.272 2.300 0.0000 0.0000 0.0000
- 2ALA N 7 -0.682 -1.088 2.397 0.0000 0.0000 0.0000
- 2ALA H 8 -0.663 -1.047 2.487 0.0000 0.0000 0.0000
- 2ALA CA 9 -0.769 -1.026 2.298 0.0000 0.0000 0.0000
- 2ALA HA 10 -0.751 -1.054 2.194 0.0000 0.0000 0.0000
- 2ALA CB 11 -0.914 -1.053 2.335 0.0000 0.0000 0.0000
- 2ALA HB1 12 -0.928 -1.075 2.441 0.0000 0.0000 0.0000
- 2ALA HB2 13 -0.956 -1.135 2.276 0.0000 0.0000 0.0000
- 2ALA HB3 14 -0.977 -0.965 2.322 0.0000 0.0000 0.0000
- 2ALA C 15 -0.753 -0.876 2.314 0.0000 0.0000 0.0000
- 2ALA O 16 -0.685 -0.829 2.404 0.0000 0.0000 0.0000
- 3ALA N 17 -0.812 -0.799 2.221 0.0000 0.0000 0.0000
- 3ALA H 18 -0.875 -0.853 2.163 0.0000 0.0000 0.0000
- 3ALA CA 19 -0.813 -0.655 2.232 0.0000 0.0000 0.0000
- 3ALA HA 20 -0.827 -0.627 2.336 0.0000 0.0000 0.0000
- 3ALA CB 21 -0.685 -0.591 2.178 0.0000 0.0000 0.0000
- 3ALA HB1 22 -0.679 -0.583 2.070 0.0000 0.0000 0.0000
- 3ALA HB2 23 -0.597 -0.639 2.220 0.0000 0.0000 0.0000
- 3ALA HB3 24 -0.680 -0.491 2.221 0.0000 0.0000 0.0000
- 3ALA C 25 -0.934 -0.593 2.163 0.0000 0.0000 0.0000
- 3ALA O 26 -0.993 -0.658 2.077 0.0000 0.0000 0.0000
- 4ALA N 27 -0.966 -0.469 2.200 0.0000 0.0000 0.0000
- 4ALA H 28 -0.898 -0.423 2.259 0.0000 0.0000 0.0000
- 4ALA CA 29 -1.073 -0.389 2.144 0.0000 0.0000 0.0000
- 4ALA HA 30 -1.169 -0.423 2.184 0.0000 0.0000 0.0000
- 4ALA CB 31 -1.053 -0.246 2.194 0.0000 0.0000 0.0000
- 4ALA HB1 32 -1.141 -0.181 2.195 0.0000 0.0000 0.0000
- 4ALA HB2 33 -0.976 -0.208 2.127 0.0000 0.0000 0.0000
- 4ALA HB3 34 -1.015 -0.250 2.296 0.0000 0.0000 0.0000
- 4ALA C 35 -1.082 -0.397 1.993 0.0000 0.0000 0.0000
- 4ALA O 36 -1.170 -0.458 1.933 0.0000 0.0000 0.0000
- 5ALA N 37 -0.981 -0.342 1.925 0.0000 0.0000 0.0000
- 5ALA H 38 -0.916 -0.291 1.983 0.0000 0.0000 0.0000
- 5ALA CA 39 -0.959 -0.347 1.782 0.0000 0.0000 0.0000
- 5ALA HA 40 -1.036 -0.281 1.740 0.0000 0.0000 0.0000
- 5ALA CB 41 -0.822 -0.291 1.745 0.0000 0.0000 0.0000
- 5ALA HB1 42 -0.809 -0.271 1.639 0.0000 0.0000 0.0000
- 5ALA HB2 43 -0.744 -0.363 1.773 0.0000 0.0000 0.0000
- 5ALA HB3 44 -0.816 -0.191 1.788 0.0000 0.0000 0.0000
- 5ALA C 45 -0.967 -0.484 1.718 0.0000 0.0000 0.0000
- 5ALA O 46 -1.040 -0.505 1.621 0.0000 0.0000 0.0000
- 6ALA N 47 -0.894 -0.581 1.775 0.0000 0.0000 0.0000
- 6ALA H 48 -0.829 -0.572 1.852 0.0000 0.0000 0.0000
- 6ALA CA 49 -0.892 -0.708 1.705 0.0000 0.0000 0.0000
- 6ALA HA 50 -0.873 -0.700 1.598 0.0000 0.0000 0.0000
- 6ALA CB 51 -0.782 -0.800 1.756 0.0000 0.0000 0.0000
- 6ALA HB1 52 -0.681 -0.763 1.740 0.0000 0.0000 0.0000
- 6ALA HB2 53 -0.791 -0.902 1.717 0.0000 0.0000 0.0000
- 6ALA HB3 54 -0.797 -0.801 1.864 0.0000 0.0000 0.0000
- 6ALA C 55 -1.024 -0.783 1.707 0.0000 0.0000 0.0000
- 6ALA O 56 -1.048 -0.865 1.618 0.0000 0.0000 0.0000
- 7ALA N 57 -1.104 -0.766 1.812 0.0000 0.0000 0.0000
- 7ALA H 58 -1.081 -0.693 1.878 0.0000 0.0000 0.0000
- 7ALA CA 59 -1.239 -0.818 1.826 0.0000 0.0000 0.0000
- 7ALA HA 60 -1.244 -0.922 1.795 0.0000 0.0000 0.0000
- 7ALA CB 61 -1.272 -0.819 1.975 0.0000 0.0000 0.0000
- 7ALA HB1 62 -1.302 -0.723 2.017 0.0000 0.0000 0.0000
- 7ALA HB2 63 -1.182 -0.843 2.030 0.0000 0.0000 0.0000
- 7ALA HB3 64 -1.359 -0.885 1.987 0.0000 0.0000 0.0000
- 7ALA C 65 -1.334 -0.741 1.734 0.0000 0.0000 0.0000
- 7ALA O 66 -1.418 -0.803 1.670 0.0000 0.0000 0.0000
- 8ALA N 67 -1.309 -0.610 1.723 0.0000 0.0000 0.0000
- 8ALA H 68 -1.238 -0.566 1.779 0.0000 0.0000 0.0000
- 8ALA CA 69 -1.368 -0.534 1.614 0.0000 0.0000 0.0000
- 8ALA HA 70 -1.476 -0.546 1.625 0.0000 0.0000 0.0000
- 8ALA CB 71 -1.330 -0.388 1.634 0.0000 0.0000 0.0000
- 8ALA HB1 72 -1.376 -0.332 1.552 0.0000 0.0000 0.0000
- 8ALA HB2 73 -1.224 -0.364 1.626 0.0000 0.0000 0.0000
- 8ALA HB3 74 -1.373 -0.351 1.727 0.0000 0.0000 0.0000
- 8ALA C 75 -1.346 -0.595 1.477 0.0000 0.0000 0.0000
- 8ALA O 76 -1.443 -0.622 1.406 0.0000 0.0000 0.0000
- 9ALA N 77 -1.224 -0.630 1.436 0.0000 0.0000 0.0000
- 9ALA H 78 -1.150 -0.600 1.498 0.0000 0.0000 0.0000
- 9ALA CA 79 -1.179 -0.689 1.312 0.0000 0.0000 0.0000
- 9ALA HA 80 -1.241 -0.659 1.227 0.0000 0.0000 0.0000
- 9ALA CB 81 -1.042 -0.626 1.285 0.0000 0.0000 0.0000
- 9ALA HB1 82 -1.013 -0.637 1.180 0.0000 0.0000 0.0000
- 9ALA HB2 83 -0.966 -0.672 1.348 0.0000 0.0000 0.0000
- 9ALA HB3 84 -1.027 -0.519 1.295 0.0000 0.0000 0.0000
- 9ALA C 85 -1.177 -0.841 1.311 0.0000 0.0000 0.0000
- 9ALA O 86 -1.100 -0.907 1.242 0.0000 0.0000 0.0000
- 10ALA N 87 -1.275 -0.897 1.382 0.0000 0.0000 0.0000
- 10ALA H 88 -1.332 -0.838 1.441 0.0000 0.0000 0.0000
- 10ALA CA 89 -1.312 -1.037 1.391 0.0000 0.0000 0.0000
- 10ALA HA 90 -1.387 -1.032 1.470 0.0000 0.0000 0.0000
- 10ALA CB 91 -1.385 -1.082 1.265 0.0000 0.0000 0.0000
- 10ALA HB1 92 -1.476 -1.140 1.280 0.0000 0.0000 0.0000
- 10ALA HB2 93 -1.322 -1.140 1.198 0.0000 0.0000 0.0000
- 10ALA HB3 94 -1.421 -0.997 1.207 0.0000 0.0000 0.0000
- 10ALA C 95 -1.211 -1.134 1.453 0.0000 0.0000 0.0000
- 10ALA O 96 -1.250 -1.201 1.549 0.0000 0.0000 0.0000
- 11ALA N 97 -1.083 -1.138 1.417 0.0000 0.0000 0.0000
- 11ALA H 98 -1.075 -1.063 1.349 0.0000 0.0000 0.0000
- 11ALA CA 99 -0.963 -1.202 1.466 0.0000 0.0000 0.0000
- 11ALA HA 100 -0.948 -1.294 1.409 0.0000 0.0000 0.0000
- 11ALA CB 101 -0.847 -1.114 1.421 0.0000 0.0000 0.0000
- 11ALA HB1 102 -0.845 -1.022 1.480 0.0000 0.0000 0.0000
- 11ALA HB2 103 -0.853 -1.086 1.316 0.0000 0.0000 0.0000
- 11ALA HB3 104 -0.747 -1.152 1.444 0.0000 0.0000 0.0000
- 11ALA C 105 -0.969 -1.225 1.616 0.0000 0.0000 0.0000
- 11ALA O 106 -0.934 -1.330 1.670 0.0000 0.0000 0.0000
- 12ALA N 107 -1.014 -1.127 1.695 0.0000 0.0000 0.0000
- 12ALA H 108 -1.035 -1.045 1.640 0.0000 0.0000 0.0000
- 12ALA CA 109 -1.037 -1.122 1.838 0.0000 0.0000 0.0000
- 12ALA HA 110 -1.078 -1.023 1.858 0.0000 0.0000 0.0000
- 12ALA CB 111 -1.133 -1.228 1.889 0.0000 0.0000 0.0000
- 12ALA HB1 112 -1.076 -1.315 1.921 0.0000 0.0000 0.0000
- 12ALA HB2 113 -1.200 -1.251 1.806 0.0000 0.0000 0.0000
- 12ALA HB3 114 -1.198 -1.197 1.971 0.0000 0.0000 0.0000
- 12ALA C 115 -0.909 -1.119 1.920 0.0000 0.0000 0.0000
- 12ALA O 116 -0.897 -1.034 2.008 0.0000 0.0000 0.0000
- 13ALA N 117 -0.813 -1.207 1.891 0.0000 0.0000 0.0000
- 13ALA H 118 -0.824 -1.254 1.802 0.0000 0.0000 0.0000
- 13ALA CA 119 -0.693 -1.224 1.971 0.0000 0.0000 0.0000
- 13ALA HA 120 -0.713 -1.247 2.075 0.0000 0.0000 0.0000
- 13ALA CB 121 -0.640 -1.362 1.933 0.0000 0.0000 0.0000
- 13ALA HB1 122 -0.561 -1.394 2.001 0.0000 0.0000 0.0000
- 13ALA HB2 123 -0.599 -1.344 1.833 0.0000 0.0000 0.0000
- 13ALA HB3 124 -0.710 -1.445 1.931 0.0000 0.0000 0.0000
- 13ALA C 125 -0.592 -1.111 1.959 0.0000 0.0000 0.0000
- 13ALA O 126 -0.578 -1.059 1.849 0.0000 0.0000 0.0000
- 14NME N 127 -0.524 -1.074 2.068 0.0000 0.0000 0.0000
- 14NME H 128 -0.509 -1.137 2.146 0.0000 0.0000 0.0000
- 14NME CH3 129 -0.439 -0.957 2.073 0.0000 0.0000 0.0000
- 14NME HH31 130 -0.371 -0.964 1.988 0.0000 0.0000 0.0000
- 14NME HH32 131 -0.379 -0.945 2.164 0.0000 0.0000 0.0000
- 14NME HH33 132 -0.505 -0.872 2.065 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -0.559 -1.143 2.590
+ 1ACE CH3 2 -0.542 -1.233 2.531
+ 1ACE HH32 3 -0.439 -1.267 2.525
+ 1ACE HH33 4 -0.595 -1.312 2.584
+ 1ACE C 5 -0.611 -1.201 2.399
+ 1ACE O 6 -0.594 -1.272 2.300
+ 2ALA N 7 -0.682 -1.088 2.397
+ 2ALA H 8 -0.663 -1.047 2.487
+ 2ALA CA 9 -0.769 -1.026 2.298
+ 2ALA HA 10 -0.751 -1.054 2.194
+ 2ALA CB 11 -0.914 -1.053 2.335
+ 2ALA HB1 12 -0.928 -1.075 2.441
+ 2ALA HB2 13 -0.956 -1.135 2.276
+ 2ALA HB3 14 -0.977 -0.965 2.322
+ 2ALA C 15 -0.753 -0.876 2.314
+ 2ALA O 16 -0.685 -0.829 2.404
+ 3ALA N 17 -0.812 -0.799 2.221
+ 3ALA H 18 -0.875 -0.853 2.163
+ 3ALA CA 19 -0.813 -0.655 2.232
+ 3ALA HA 20 -0.827 -0.627 2.336
+ 3ALA CB 21 -0.685 -0.591 2.178
+ 3ALA HB1 22 -0.679 -0.583 2.070
+ 3ALA HB2 23 -0.597 -0.639 2.220
+ 3ALA HB3 24 -0.680 -0.491 2.221
+ 3ALA C 25 -0.934 -0.593 2.163
+ 3ALA O 26 -0.993 -0.658 2.077
+ 4ALA N 27 -0.966 -0.469 2.200
+ 4ALA H 28 -0.898 -0.423 2.259
+ 4ALA CA 29 -1.073 -0.389 2.144
+ 4ALA HA 30 -1.169 -0.423 2.184
+ 4ALA CB 31 -1.053 -0.246 2.194
+ 4ALA HB1 32 -1.141 -0.181 2.195
+ 4ALA HB2 33 -0.976 -0.208 2.127
+ 4ALA HB3 34 -1.015 -0.250 2.296
+ 4ALA C 35 -1.082 -0.397 1.993
+ 4ALA O 36 -1.170 -0.458 1.933
+ 5ALA N 37 -0.981 -0.342 1.925
+ 5ALA H 38 -0.916 -0.291 1.983
+ 5ALA CA 39 -0.959 -0.347 1.782
+ 5ALA HA 40 -1.036 -0.281 1.740
+ 5ALA CB 41 -0.822 -0.291 1.745
+ 5ALA HB1 42 -0.809 -0.271 1.639
+ 5ALA HB2 43 -0.744 -0.363 1.773
+ 5ALA HB3 44 -0.816 -0.191 1.788
+ 5ALA C 45 -0.967 -0.484 1.718
+ 5ALA O 46 -1.040 -0.505 1.621
+ 6ALA N 47 -0.894 -0.581 1.775
+ 6ALA H 48 -0.829 -0.572 1.852
+ 6ALA CA 49 -0.892 -0.708 1.705
+ 6ALA HA 50 -0.873 -0.700 1.598
+ 6ALA CB 51 -0.782 -0.800 1.756
+ 6ALA HB1 52 -0.681 -0.763 1.740
+ 6ALA HB2 53 -0.791 -0.902 1.717
+ 6ALA HB3 54 -0.797 -0.801 1.864
+ 6ALA C 55 -1.024 -0.783 1.707
+ 6ALA O 56 -1.048 -0.865 1.618
+ 7ALA N 57 -1.104 -0.766 1.812
+ 7ALA H 58 -1.081 -0.693 1.878
+ 7ALA CA 59 -1.239 -0.818 1.826
+ 7ALA HA 60 -1.244 -0.922 1.795
+ 7ALA CB 61 -1.272 -0.819 1.975
+ 7ALA HB1 62 -1.302 -0.723 2.017
+ 7ALA HB2 63 -1.182 -0.843 2.030
+ 7ALA HB3 64 -1.359 -0.885 1.987
+ 7ALA C 65 -1.334 -0.741 1.734
+ 7ALA O 66 -1.418 -0.803 1.670
+ 8ALA N 67 -1.309 -0.610 1.723
+ 8ALA H 68 -1.238 -0.566 1.779
+ 8ALA CA 69 -1.368 -0.534 1.614
+ 8ALA HA 70 -1.476 -0.546 1.625
+ 8ALA CB 71 -1.330 -0.388 1.634
+ 8ALA HB1 72 -1.376 -0.332 1.552
+ 8ALA HB2 73 -1.224 -0.364 1.626
+ 8ALA HB3 74 -1.373 -0.351 1.727
+ 8ALA C 75 -1.346 -0.595 1.477
+ 8ALA O 76 -1.443 -0.622 1.406
+ 9ALA N 77 -1.224 -0.630 1.436
+ 9ALA H 78 -1.150 -0.600 1.498
+ 9ALA CA 79 -1.179 -0.689 1.312
+ 9ALA HA 80 -1.241 -0.659 1.227
+ 9ALA CB 81 -1.042 -0.626 1.285
+ 9ALA HB1 82 -1.013 -0.637 1.180
+ 9ALA HB2 83 -0.966 -0.672 1.348
+ 9ALA HB3 84 -1.027 -0.519 1.295
+ 9ALA C 85 -1.177 -0.841 1.311
+ 9ALA O 86 -1.100 -0.907 1.242
+ 10ALA N 87 -1.275 -0.897 1.382
+ 10ALA H 88 -1.332 -0.838 1.441
+ 10ALA CA 89 -1.312 -1.037 1.391
+ 10ALA HA 90 -1.387 -1.032 1.470
+ 10ALA CB 91 -1.385 -1.082 1.265
+ 10ALA HB1 92 -1.476 -1.140 1.280
+ 10ALA HB2 93 -1.322 -1.140 1.198
+ 10ALA HB3 94 -1.421 -0.997 1.207
+ 10ALA C 95 -1.211 -1.134 1.453
+ 10ALA O 96 -1.250 -1.201 1.549
+ 11ALA N 97 -1.083 -1.138 1.417
+ 11ALA H 98 -1.075 -1.063 1.349
+ 11ALA CA 99 -0.963 -1.202 1.466
+ 11ALA HA 100 -0.948 -1.294 1.409
+ 11ALA CB 101 -0.847 -1.114 1.421
+ 11ALA HB1 102 -0.845 -1.022 1.480
+ 11ALA HB2 103 -0.853 -1.086 1.316
+ 11ALA HB3 104 -0.747 -1.152 1.444
+ 11ALA C 105 -0.969 -1.225 1.616
+ 11ALA O 106 -0.934 -1.330 1.670
+ 12ALA N 107 -1.014 -1.127 1.695
+ 12ALA H 108 -1.035 -1.045 1.640
+ 12ALA CA 109 -1.037 -1.122 1.838
+ 12ALA HA 110 -1.078 -1.023 1.858
+ 12ALA CB 111 -1.133 -1.228 1.889
+ 12ALA HB1 112 -1.076 -1.315 1.921
+ 12ALA HB2 113 -1.200 -1.251 1.806
+ 12ALA HB3 114 -1.198 -1.197 1.971
+ 12ALA C 115 -0.909 -1.119 1.920
+ 12ALA O 116 -0.897 -1.034 2.008
+ 13ALA N 117 -0.813 -1.207 1.891
+ 13ALA H 118 -0.824 -1.254 1.802
+ 13ALA CA 119 -0.693 -1.224 1.971
+ 13ALA HA 120 -0.713 -1.247 2.075
+ 13ALA CB 121 -0.640 -1.362 1.933
+ 13ALA HB1 122 -0.561 -1.394 2.001
+ 13ALA HB2 123 -0.599 -1.344 1.833
+ 13ALA HB3 124 -0.710 -1.445 1.931
+ 13ALA C 125 -0.592 -1.111 1.959
+ 13ALA O 126 -0.578 -1.059 1.849
+ 14NME N 127 -0.524 -1.074 2.068
+ 14NME H 128 -0.509 -1.137 2.146
+ 14NME CH3 129 -0.439 -0.957 2.073
+ 14NME HH31 130 -0.371 -0.964 1.988
+ 14NME HH32 131 -0.379 -0.945 2.164
+ 14NME HH33 132 -0.505 -0.872 2.065
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.200000
132
- 1ACE HH31 1 -0.645 -0.326 2.596 0.0000 0.0000 0.0000
- 1ACE CH3 2 -0.672 -0.294 2.495 0.0000 0.0000 0.0000
- 1ACE HH32 3 -0.746 -0.215 2.506 0.0000 0.0000 0.0000
- 1ACE HH33 4 -0.579 -0.270 2.443 0.0000 0.0000 0.0000
- 1ACE C 5 -0.739 -0.407 2.419 0.0000 0.0000 0.0000
- 1ACE O 6 -0.781 -0.390 2.305 0.0000 0.0000 0.0000
- 2ALA N 7 -0.754 -0.521 2.488 0.0000 0.0000 0.0000
- 2ALA H 8 -0.697 -0.516 2.571 0.0000 0.0000 0.0000
- 2ALA CA 9 -0.804 -0.652 2.453 0.0000 0.0000 0.0000
- 2ALA HA 10 -0.729 -0.696 2.387 0.0000 0.0000 0.0000
- 2ALA CB 11 -0.801 -0.739 2.579 0.0000 0.0000 0.0000
- 2ALA HB1 12 -0.843 -0.685 2.664 0.0000 0.0000 0.0000
- 2ALA HB2 13 -0.699 -0.764 2.609 0.0000 0.0000 0.0000
- 2ALA HB3 14 -0.845 -0.838 2.572 0.0000 0.0000 0.0000
- 2ALA C 15 -0.937 -0.642 2.379 0.0000 0.0000 0.0000
- 2ALA O 16 -0.943 -0.692 2.267 0.0000 0.0000 0.0000
- 3ALA N 17 -1.034 -0.561 2.423 0.0000 0.0000 0.0000
- 3ALA H 18 -1.026 -0.535 2.520 0.0000 0.0000 0.0000
- 3ALA CA 19 -1.159 -0.534 2.354 0.0000 0.0000 0.0000
- 3ALA HA 20 -1.216 -0.627 2.351 0.0000 0.0000 0.0000
- 3ALA CB 21 -1.237 -0.429 2.432 0.0000 0.0000 0.0000
- 3ALA HB1 22 -1.256 -0.477 2.528 0.0000 0.0000 0.0000
- 3ALA HB2 23 -1.330 -0.397 2.385 0.0000 0.0000 0.0000
- 3ALA HB3 24 -1.175 -0.341 2.452 0.0000 0.0000 0.0000
- 3ALA C 25 -1.135 -0.494 2.209 0.0000 0.0000 0.0000
- 3ALA O 26 -1.206 -0.551 2.127 0.0000 0.0000 0.0000
- 4ALA N 27 -1.049 -0.399 2.171 0.0000 0.0000 0.0000
- 4ALA H 28 -0.983 -0.362 2.237 0.0000 0.0000 0.0000
- 4ALA CA 29 -1.044 -0.348 2.035 0.0000 0.0000 0.0000
- 4ALA HA 30 -1.147 -0.341 1.999 0.0000 0.0000 0.0000
- 4ALA CB 31 -0.986 -0.207 2.036 0.0000 0.0000 0.0000
- 4ALA HB1 32 -0.991 -0.175 1.932 0.0000 0.0000 0.0000
- 4ALA HB2 33 -0.878 -0.198 2.053 0.0000 0.0000 0.0000
- 4ALA HB3 34 -1.049 -0.150 2.105 0.0000 0.0000 0.0000
- 4ALA C 35 -0.969 -0.441 1.941 0.0000 0.0000 0.0000
- 4ALA O 36 -1.002 -0.463 1.824 0.0000 0.0000 0.0000
- 5ALA N 37 -0.869 -0.506 2.001 0.0000 0.0000 0.0000
- 5ALA H 38 -0.868 -0.488 2.100 0.0000 0.0000 0.0000
- 5ALA CA 39 -0.803 -0.625 1.953 0.0000 0.0000 0.0000
- 5ALA HA 40 -0.750 -0.584 1.867 0.0000 0.0000 0.0000
- 5ALA CB 41 -0.701 -0.667 2.059 0.0000 0.0000 0.0000
- 5ALA HB1 42 -0.728 -0.643 2.161 0.0000 0.0000 0.0000
- 5ALA HB2 43 -0.606 -0.615 2.049 0.0000 0.0000 0.0000
- 5ALA HB3 44 -0.679 -0.774 2.054 0.0000 0.0000 0.0000
- 5ALA C 45 -0.889 -0.739 1.899 0.0000 0.0000 0.0000
- 5ALA O 46 -0.892 -0.760 1.778 0.0000 0.0000 0.0000
- 6ALA N 47 -0.973 -0.797 1.984 0.0000 0.0000 0.0000
- 6ALA H 48 -0.958 -0.766 2.079 0.0000 0.0000 0.0000
- 6ALA CA 49 -1.086 -0.885 1.960 0.0000 0.0000 0.0000
- 6ALA HA 50 -1.044 -0.981 1.928 0.0000 0.0000 0.0000
- 6ALA CB 51 -1.166 -0.906 2.088 0.0000 0.0000 0.0000
- 6ALA HB1 52 -1.103 -0.940 2.170 0.0000 0.0000 0.0000
- 6ALA HB2 53 -1.236 -0.987 2.067 0.0000 0.0000 0.0000
- 6ALA HB3 54 -1.213 -0.810 2.111 0.0000 0.0000 0.0000
- 6ALA C 55 -1.173 -0.830 1.848 0.0000 0.0000 0.0000
- 6ALA O 56 -1.206 -0.903 1.756 0.0000 0.0000 0.0000
- 7ALA N 57 -1.214 -0.703 1.854 0.0000 0.0000 0.0000
- 7ALA H 58 -1.194 -0.651 1.938 0.0000 0.0000 0.0000
- 7ALA CA 59 -1.312 -0.650 1.761 0.0000 0.0000 0.0000
- 7ALA HA 60 -1.396 -0.717 1.746 0.0000 0.0000 0.0000
- 7ALA CB 61 -1.360 -0.520 1.824 0.0000 0.0000 0.0000
- 7ALA HB1 62 -1.279 -0.447 1.824 0.0000 0.0000 0.0000
- 7ALA HB2 63 -1.400 -0.531 1.924 0.0000 0.0000 0.0000
- 7ALA HB3 64 -1.440 -0.484 1.759 0.0000 0.0000 0.0000
- 7ALA C 65 -1.261 -0.619 1.621 0.0000 0.0000 0.0000
- 7ALA O 66 -1.344 -0.585 1.537 0.0000 0.0000 0.0000
- 8ALA N 67 -1.132 -0.644 1.597 0.0000 0.0000 0.0000
- 8ALA H 68 -1.085 -0.659 1.685 0.0000 0.0000 0.0000
- 8ALA CA 69 -1.057 -0.615 1.476 0.0000 0.0000 0.0000
- 8ALA HA 70 -1.130 -0.580 1.403 0.0000 0.0000 0.0000
- 8ALA CB 71 -0.969 -0.493 1.502 0.0000 0.0000 0.0000
- 8ALA HB1 72 -0.894 -0.519 1.577 0.0000 0.0000 0.0000
- 8ALA HB2 73 -1.031 -0.408 1.530 0.0000 0.0000 0.0000
- 8ALA HB3 74 -0.921 -0.475 1.406 0.0000 0.0000 0.0000
- 8ALA C 75 -0.970 -0.727 1.419 0.0000 0.0000 0.0000
- 8ALA O 76 -0.986 -0.754 1.300 0.0000 0.0000 0.0000
- 9ALA N 77 -0.876 -0.781 1.496 0.0000 0.0000 0.0000
- 9ALA H 78 -0.865 -0.761 1.594 0.0000 0.0000 0.0000
- 9ALA CA 79 -0.771 -0.857 1.430 0.0000 0.0000 0.0000
- 9ALA HA 80 -0.812 -0.909 1.344 0.0000 0.0000 0.0000
- 9ALA CB 81 -0.672 -0.746 1.397 0.0000 0.0000 0.0000
- 9ALA HB1 82 -0.575 -0.780 1.361 0.0000 0.0000 0.0000
- 9ALA HB2 83 -0.650 -0.677 1.479 0.0000 0.0000 0.0000
- 9ALA HB3 84 -0.711 -0.687 1.314 0.0000 0.0000 0.0000
- 9ALA C 85 -0.706 -0.962 1.518 0.0000 0.0000 0.0000
- 9ALA O 86 -0.619 -1.034 1.468 0.0000 0.0000 0.0000
- 10ALA N 87 -0.746 -0.977 1.645 0.0000 0.0000 0.0000
- 10ALA H 88 -0.822 -0.919 1.677 0.0000 0.0000 0.0000
- 10ALA CA 89 -0.696 -1.082 1.731 0.0000 0.0000 0.0000
- 10ALA HA 90 -0.593 -1.106 1.702 0.0000 0.0000 0.0000
- 10ALA CB 91 -0.695 -1.040 1.877 0.0000 0.0000 0.0000
- 10ALA HB1 92 -0.636 -0.951 1.900 0.0000 0.0000 0.0000
- 10ALA HB2 93 -0.665 -1.120 1.945 0.0000 0.0000 0.0000
- 10ALA HB3 94 -0.795 -1.005 1.901 0.0000 0.0000 0.0000
- 10ALA C 95 -0.776 -1.209 1.710 0.0000 0.0000 0.0000
- 10ALA O 96 -0.868 -1.235 1.788 0.0000 0.0000 0.0000
- 11ALA N 97 -0.756 -1.270 1.593 0.0000 0.0000 0.0000
- 11ALA H 98 -0.681 -1.232 1.538 0.0000 0.0000 0.0000
- 11ALA CA 99 -0.838 -1.380 1.544 0.0000 0.0000 0.0000
- 11ALA HA 100 -0.795 -1.423 1.453 0.0000 0.0000 0.0000
- 11ALA CB 101 -0.844 -1.502 1.635 0.0000 0.0000 0.0000
- 11ALA HB1 102 -0.743 -1.538 1.653 0.0000 0.0000 0.0000
- 11ALA HB2 103 -0.895 -1.587 1.590 0.0000 0.0000 0.0000
- 11ALA HB3 104 -0.897 -1.475 1.726 0.0000 0.0000 0.0000
- 11ALA C 105 -0.976 -1.338 1.497 0.0000 0.0000 0.0000
- 11ALA O 106 -1.010 -1.342 1.379 0.0000 0.0000 0.0000
- 12ALA N 107 -1.061 -1.294 1.590 0.0000 0.0000 0.0000
- 12ALA H 108 -1.016 -1.257 1.673 0.0000 0.0000 0.0000
- 12ALA CA 109 -1.196 -1.243 1.578 0.0000 0.0000 0.0000
- 12ALA HA 110 -1.248 -1.322 1.524 0.0000 0.0000 0.0000
- 12ALA CB 111 -1.263 -1.229 1.715 0.0000 0.0000 0.0000
- 12ALA HB1 112 -1.258 -1.327 1.761 0.0000 0.0000 0.0000
- 12ALA HB2 113 -1.365 -1.193 1.698 0.0000 0.0000 0.0000
- 12ALA HB3 114 -1.215 -1.150 1.773 0.0000 0.0000 0.0000
- 12ALA C 115 -1.205 -1.116 1.494 0.0000 0.0000 0.0000
- 12ALA O 116 -1.105 -1.045 1.484 0.0000 0.0000 0.0000
- 13ALA N 117 -1.326 -1.081 1.452 0.0000 0.0000 0.0000
- 13ALA H 118 -1.405 -1.135 1.483 0.0000 0.0000 0.0000
- 13ALA CA 119 -1.359 -0.946 1.410 0.0000 0.0000 0.0000
- 13ALA HA 120 -1.300 -0.875 1.467 0.0000 0.0000 0.0000
- 13ALA CB 121 -1.327 -0.938 1.261 0.0000 0.0000 0.0000
- 13ALA HB1 122 -1.336 -0.833 1.231 0.0000 0.0000 0.0000
- 13ALA HB2 123 -1.408 -0.976 1.199 0.0000 0.0000 0.0000
- 13ALA HB3 124 -1.234 -0.985 1.229 0.0000 0.0000 0.0000
- 13ALA C 125 -1.507 -0.921 1.436 0.0000 0.0000 0.0000
- 13ALA O 126 -1.589 -1.010 1.411 0.0000 0.0000 0.0000
- 14NME N 127 -1.550 -0.804 1.482 0.0000 0.0000 0.0000
- 14NME H 128 -1.483 -0.728 1.489 0.0000 0.0000 0.0000
- 14NME CH3 129 -1.687 -0.774 1.518 0.0000 0.0000 0.0000
- 14NME HH31 130 -1.741 -0.849 1.576 0.0000 0.0000 0.0000
- 14NME HH32 131 -1.748 -0.786 1.428 0.0000 0.0000 0.0000
- 14NME HH33 132 -1.694 -0.671 1.554 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -0.645 -0.326 2.596
+ 1ACE CH3 2 -0.672 -0.294 2.495
+ 1ACE HH32 3 -0.746 -0.215 2.506
+ 1ACE HH33 4 -0.579 -0.270 2.443
+ 1ACE C 5 -0.739 -0.407 2.419
+ 1ACE O 6 -0.781 -0.390 2.305
+ 2ALA N 7 -0.754 -0.521 2.488
+ 2ALA H 8 -0.697 -0.516 2.571
+ 2ALA CA 9 -0.804 -0.652 2.453
+ 2ALA HA 10 -0.729 -0.696 2.387
+ 2ALA CB 11 -0.801 -0.739 2.579
+ 2ALA HB1 12 -0.843 -0.685 2.664
+ 2ALA HB2 13 -0.699 -0.764 2.609
+ 2ALA HB3 14 -0.845 -0.838 2.572
+ 2ALA C 15 -0.937 -0.642 2.379
+ 2ALA O 16 -0.943 -0.692 2.267
+ 3ALA N 17 -1.034 -0.561 2.423
+ 3ALA H 18 -1.026 -0.535 2.520
+ 3ALA CA 19 -1.159 -0.534 2.354
+ 3ALA HA 20 -1.216 -0.627 2.351
+ 3ALA CB 21 -1.237 -0.429 2.432
+ 3ALA HB1 22 -1.256 -0.477 2.528
+ 3ALA HB2 23 -1.330 -0.397 2.385
+ 3ALA HB3 24 -1.175 -0.341 2.452
+ 3ALA C 25 -1.135 -0.494 2.209
+ 3ALA O 26 -1.206 -0.551 2.127
+ 4ALA N 27 -1.049 -0.399 2.171
+ 4ALA H 28 -0.983 -0.362 2.237
+ 4ALA CA 29 -1.044 -0.348 2.035
+ 4ALA HA 30 -1.147 -0.341 1.999
+ 4ALA CB 31 -0.986 -0.207 2.036
+ 4ALA HB1 32 -0.991 -0.175 1.932
+ 4ALA HB2 33 -0.878 -0.198 2.053
+ 4ALA HB3 34 -1.049 -0.150 2.105
+ 4ALA C 35 -0.969 -0.441 1.941
+ 4ALA O 36 -1.002 -0.463 1.824
+ 5ALA N 37 -0.869 -0.506 2.001
+ 5ALA H 38 -0.868 -0.488 2.100
+ 5ALA CA 39 -0.803 -0.625 1.953
+ 5ALA HA 40 -0.750 -0.584 1.867
+ 5ALA CB 41 -0.701 -0.667 2.059
+ 5ALA HB1 42 -0.728 -0.643 2.161
+ 5ALA HB2 43 -0.606 -0.615 2.049
+ 5ALA HB3 44 -0.679 -0.774 2.054
+ 5ALA C 45 -0.889 -0.739 1.899
+ 5ALA O 46 -0.892 -0.760 1.778
+ 6ALA N 47 -0.973 -0.797 1.984
+ 6ALA H 48 -0.958 -0.766 2.079
+ 6ALA CA 49 -1.086 -0.885 1.960
+ 6ALA HA 50 -1.044 -0.981 1.928
+ 6ALA CB 51 -1.166 -0.906 2.088
+ 6ALA HB1 52 -1.103 -0.940 2.170
+ 6ALA HB2 53 -1.236 -0.987 2.067
+ 6ALA HB3 54 -1.213 -0.810 2.111
+ 6ALA C 55 -1.173 -0.830 1.848
+ 6ALA O 56 -1.206 -0.903 1.756
+ 7ALA N 57 -1.214 -0.703 1.854
+ 7ALA H 58 -1.194 -0.651 1.938
+ 7ALA CA 59 -1.312 -0.650 1.761
+ 7ALA HA 60 -1.396 -0.717 1.746
+ 7ALA CB 61 -1.360 -0.520 1.824
+ 7ALA HB1 62 -1.279 -0.447 1.824
+ 7ALA HB2 63 -1.400 -0.531 1.924
+ 7ALA HB3 64 -1.440 -0.484 1.759
+ 7ALA C 65 -1.261 -0.619 1.621
+ 7ALA O 66 -1.344 -0.585 1.537
+ 8ALA N 67 -1.132 -0.644 1.597
+ 8ALA H 68 -1.085 -0.659 1.685
+ 8ALA CA 69 -1.057 -0.615 1.476
+ 8ALA HA 70 -1.130 -0.580 1.403
+ 8ALA CB 71 -0.969 -0.493 1.502
+ 8ALA HB1 72 -0.894 -0.519 1.577
+ 8ALA HB2 73 -1.031 -0.408 1.530
+ 8ALA HB3 74 -0.921 -0.475 1.406
+ 8ALA C 75 -0.970 -0.727 1.419
+ 8ALA O 76 -0.986 -0.754 1.300
+ 9ALA N 77 -0.876 -0.781 1.496
+ 9ALA H 78 -0.865 -0.761 1.594
+ 9ALA CA 79 -0.771 -0.857 1.430
+ 9ALA HA 80 -0.812 -0.909 1.344
+ 9ALA CB 81 -0.672 -0.746 1.397
+ 9ALA HB1 82 -0.575 -0.780 1.361
+ 9ALA HB2 83 -0.650 -0.677 1.479
+ 9ALA HB3 84 -0.711 -0.687 1.314
+ 9ALA C 85 -0.706 -0.962 1.518
+ 9ALA O 86 -0.619 -1.034 1.468
+ 10ALA N 87 -0.746 -0.977 1.645
+ 10ALA H 88 -0.822 -0.919 1.677
+ 10ALA CA 89 -0.696 -1.082 1.731
+ 10ALA HA 90 -0.593 -1.106 1.702
+ 10ALA CB 91 -0.695 -1.040 1.877
+ 10ALA HB1 92 -0.636 -0.951 1.900
+ 10ALA HB2 93 -0.665 -1.120 1.945
+ 10ALA HB3 94 -0.795 -1.005 1.901
+ 10ALA C 95 -0.776 -1.209 1.710
+ 10ALA O 96 -0.868 -1.235 1.788
+ 11ALA N 97 -0.756 -1.270 1.593
+ 11ALA H 98 -0.681 -1.232 1.538
+ 11ALA CA 99 -0.838 -1.380 1.544
+ 11ALA HA 100 -0.795 -1.423 1.453
+ 11ALA CB 101 -0.844 -1.502 1.635
+ 11ALA HB1 102 -0.743 -1.538 1.653
+ 11ALA HB2 103 -0.895 -1.587 1.590
+ 11ALA HB3 104 -0.897 -1.475 1.726
+ 11ALA C 105 -0.976 -1.338 1.497
+ 11ALA O 106 -1.010 -1.342 1.379
+ 12ALA N 107 -1.061 -1.294 1.590
+ 12ALA H 108 -1.016 -1.257 1.673
+ 12ALA CA 109 -1.196 -1.243 1.578
+ 12ALA HA 110 -1.248 -1.322 1.524
+ 12ALA CB 111 -1.263 -1.229 1.715
+ 12ALA HB1 112 -1.258 -1.327 1.761
+ 12ALA HB2 113 -1.365 -1.193 1.698
+ 12ALA HB3 114 -1.215 -1.150 1.773
+ 12ALA C 115 -1.205 -1.116 1.494
+ 12ALA O 116 -1.105 -1.045 1.484
+ 13ALA N 117 -1.326 -1.081 1.452
+ 13ALA H 118 -1.405 -1.135 1.483
+ 13ALA CA 119 -1.359 -0.946 1.410
+ 13ALA HA 120 -1.300 -0.875 1.467
+ 13ALA CB 121 -1.327 -0.938 1.261
+ 13ALA HB1 122 -1.336 -0.833 1.231
+ 13ALA HB2 123 -1.408 -0.976 1.199
+ 13ALA HB3 124 -1.234 -0.985 1.229
+ 13ALA C 125 -1.507 -0.921 1.436
+ 13ALA O 126 -1.589 -1.010 1.411
+ 14NME N 127 -1.550 -0.804 1.482
+ 14NME H 128 -1.483 -0.728 1.489
+ 14NME CH3 129 -1.687 -0.774 1.518
+ 14NME HH31 130 -1.741 -0.849 1.576
+ 14NME HH32 131 -1.748 -0.786 1.428
+ 14NME HH33 132 -1.694 -0.671 1.554
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.250000
132
- 1ACE HH31 1 -0.265 -0.942 2.309 0.0000 0.0000 0.0000
- 1ACE CH3 2 -0.191 -0.877 2.263 0.0000 0.0000 0.0000
- 1ACE HH32 3 -0.091 -0.897 2.303 0.0000 0.0000 0.0000
- 1ACE HH33 4 -0.196 -0.896 2.156 0.0000 0.0000 0.0000
- 1ACE C 5 -0.220 -0.729 2.280 0.0000 0.0000 0.0000
- 1ACE O 6 -0.308 -0.688 2.356 0.0000 0.0000 0.0000
- 2ALA N 7 -0.147 -0.647 2.204 0.0000 0.0000 0.0000
- 2ALA H 8 -0.071 -0.691 2.155 0.0000 0.0000 0.0000
- 2ALA CA 9 -0.157 -0.505 2.176 0.0000 0.0000 0.0000
- 2ALA HA 10 -0.129 -0.445 2.263 0.0000 0.0000 0.0000
- 2ALA CB 11 -0.045 -0.471 2.078 0.0000 0.0000 0.0000
- 2ALA HB1 12 -0.028 -0.364 2.080 0.0000 0.0000 0.0000
- 2ALA HB2 13 -0.068 -0.494 1.974 0.0000 0.0000 0.0000
- 2ALA HB3 14 0.054 -0.507 2.107 0.0000 0.0000 0.0000
- 2ALA C 15 -0.296 -0.458 2.137 0.0000 0.0000 0.0000
- 2ALA O 16 -0.349 -0.361 2.190 0.0000 0.0000 0.0000
- 3ALA N 17 -0.362 -0.534 2.049 0.0000 0.0000 0.0000
- 3ALA H 18 -0.324 -0.625 2.025 0.0000 0.0000 0.0000
- 3ALA CA 19 -0.493 -0.503 1.995 0.0000 0.0000 0.0000
- 3ALA HA 20 -0.546 -0.426 2.051 0.0000 0.0000 0.0000
- 3ALA CB 21 -0.466 -0.445 1.856 0.0000 0.0000 0.0000
- 3ALA HB1 22 -0.427 -0.343 1.862 0.0000 0.0000 0.0000
- 3ALA HB2 23 -0.556 -0.455 1.794 0.0000 0.0000 0.0000
- 3ALA HB3 24 -0.387 -0.496 1.801 0.0000 0.0000 0.0000
- 3ALA C 25 -0.575 -0.631 1.995 0.0000 0.0000 0.0000
- 3ALA O 26 -0.524 -0.740 1.970 0.0000 0.0000 0.0000
- 4ALA N 27 -0.705 -0.616 2.018 0.0000 0.0000 0.0000
- 4ALA H 28 -0.750 -0.526 2.009 0.0000 0.0000 0.0000
- 4ALA CA 29 -0.804 -0.722 2.011 0.0000 0.0000 0.0000
- 4ALA HA 30 -0.779 -0.787 1.927 0.0000 0.0000 0.0000
- 4ALA CB 31 -0.793 -0.815 2.132 0.0000 0.0000 0.0000
- 4ALA HB1 32 -0.869 -0.893 2.122 0.0000 0.0000 0.0000
- 4ALA HB2 33 -0.829 -0.763 2.221 0.0000 0.0000 0.0000
- 4ALA HB3 34 -0.691 -0.852 2.138 0.0000 0.0000 0.0000
- 4ALA C 35 -0.945 -0.671 1.990 0.0000 0.0000 0.0000
- 4ALA O 36 -0.978 -0.561 2.034 0.0000 0.0000 0.0000
- 5ALA N 37 -1.036 -0.754 1.938 0.0000 0.0000 0.0000
- 5ALA H 38 -1.006 -0.843 1.900 0.0000 0.0000 0.0000
- 5ALA CA 39 -1.177 -0.724 1.928 0.0000 0.0000 0.0000
- 5ALA HA 40 -1.211 -0.678 2.021 0.0000 0.0000 0.0000
- 5ALA CB 41 -1.220 -0.618 1.826 0.0000 0.0000 0.0000
- 5ALA HB1 42 -1.183 -0.518 1.849 0.0000 0.0000 0.0000
- 5ALA HB2 43 -1.327 -0.598 1.820 0.0000 0.0000 0.0000
- 5ALA HB3 44 -1.178 -0.651 1.732 0.0000 0.0000 0.0000
- 5ALA C 45 -1.260 -0.848 1.897 0.0000 0.0000 0.0000
- 5ALA O 46 -1.204 -0.935 1.831 0.0000 0.0000 0.0000
- 6ALA N 47 -1.380 -0.861 1.955 0.0000 0.0000 0.0000
- 6ALA H 48 -1.422 -0.777 1.994 0.0000 0.0000 0.0000
- 6ALA CA 49 -1.473 -0.968 1.927 0.0000 0.0000 0.0000
- 6ALA HA 50 -1.451 -1.006 1.827 0.0000 0.0000 0.0000
- 6ALA CB 51 -1.451 -1.087 2.021 0.0000 0.0000 0.0000
- 6ALA HB1 52 -1.467 -1.068 2.127 0.0000 0.0000 0.0000
- 6ALA HB2 53 -1.349 -1.119 2.001 0.0000 0.0000 0.0000
- 6ALA HB3 54 -1.517 -1.171 1.998 0.0000 0.0000 0.0000
- 6ALA C 55 -1.615 -0.915 1.929 0.0000 0.0000 0.0000
- 6ALA O 56 -1.648 -0.817 1.995 0.0000 0.0000 0.0000
- 7ALA N 57 -1.698 -0.980 1.847 0.0000 0.0000 0.0000
- 7ALA H 58 -1.650 -1.048 1.788 0.0000 0.0000 0.0000
- 7ALA CA 59 -1.822 -0.947 1.780 0.0000 0.0000 0.0000
- 7ALA HA 60 -1.841 -1.039 1.726 0.0000 0.0000 0.0000
- 7ALA CB 61 -1.936 -0.942 1.881 0.0000 0.0000 0.0000
- 7ALA HB1 62 -1.917 -1.012 1.963 0.0000 0.0000 0.0000
- 7ALA HB2 63 -2.028 -0.972 1.830 0.0000 0.0000 0.0000
- 7ALA HB3 64 -1.948 -0.843 1.924 0.0000 0.0000 0.0000
- 7ALA C 65 -1.813 -0.836 1.676 0.0000 0.0000 0.0000
- 7ALA O 66 -1.869 -0.851 1.568 0.0000 0.0000 0.0000
- 8ALA N 67 -1.746 -0.724 1.708 0.0000 0.0000 0.0000
- 8ALA H 68 -1.718 -0.717 1.805 0.0000 0.0000 0.0000
- 8ALA CA 69 -1.713 -0.618 1.616 0.0000 0.0000 0.0000
- 8ALA HA 70 -1.799 -0.598 1.551 0.0000 0.0000 0.0000
- 8ALA CB 71 -1.687 -0.486 1.688 0.0000 0.0000 0.0000
- 8ALA HB1 72 -1.769 -0.456 1.754 0.0000 0.0000 0.0000
- 8ALA HB2 73 -1.666 -0.407 1.616 0.0000 0.0000 0.0000
- 8ALA HB3 74 -1.605 -0.504 1.757 0.0000 0.0000 0.0000
- 8ALA C 75 -1.598 -0.667 1.528 0.0000 0.0000 0.0000
- 8ALA O 76 -1.483 -0.636 1.557 0.0000 0.0000 0.0000
- 9ALA N 77 -1.629 -0.758 1.435 0.0000 0.0000 0.0000
- 9ALA H 78 -1.728 -0.779 1.435 0.0000 0.0000 0.0000
- 9ALA CA 79 -1.543 -0.860 1.379 0.0000 0.0000 0.0000
- 9ALA HA 80 -1.603 -0.934 1.326 0.0000 0.0000 0.0000
- 9ALA CB 81 -1.451 -0.803 1.272 0.0000 0.0000 0.0000
- 9ALA HB1 82 -1.363 -0.758 1.317 0.0000 0.0000 0.0000
- 9ALA HB2 83 -1.503 -0.739 1.201 0.0000 0.0000 0.0000
- 9ALA HB3 84 -1.409 -0.886 1.214 0.0000 0.0000 0.0000
- 9ALA C 85 -1.482 -0.951 1.485 0.0000 0.0000 0.0000
- 9ALA O 86 -1.537 -0.965 1.594 0.0000 0.0000 0.0000
- 10ALA N 87 -1.367 -1.012 1.458 0.0000 0.0000 0.0000
- 10ALA H 88 -1.329 -1.008 1.364 0.0000 0.0000 0.0000
- 10ALA CA 89 -1.294 -1.104 1.543 0.0000 0.0000 0.0000
- 10ALA HA 90 -1.301 -1.096 1.652 0.0000 0.0000 0.0000
- 10ALA CB 91 -1.358 -1.239 1.510 0.0000 0.0000 0.0000
- 10ALA HB1 92 -1.349 -1.253 1.402 0.0000 0.0000 0.0000
- 10ALA HB2 93 -1.465 -1.241 1.531 0.0000 0.0000 0.0000
- 10ALA HB3 94 -1.313 -1.323 1.562 0.0000 0.0000 0.0000
- 10ALA C 95 -1.147 -1.095 1.507 0.0000 0.0000 0.0000
- 10ALA O 96 -1.106 -1.138 1.399 0.0000 0.0000 0.0000
- 11ALA N 97 -1.067 -1.037 1.597 0.0000 0.0000 0.0000
- 11ALA H 98 -1.108 -1.022 1.688 0.0000 0.0000 0.0000
- 11ALA CA 99 -0.930 -1.000 1.570 0.0000 0.0000 0.0000
- 11ALA HA 100 -0.895 -1.065 1.490 0.0000 0.0000 0.0000
- 11ALA CB 101 -0.931 -0.858 1.513 0.0000 0.0000 0.0000
- 11ALA HB1 102 -0.829 -0.825 1.499 0.0000 0.0000 0.0000
- 11ALA HB2 103 -0.975 -0.793 1.589 0.0000 0.0000 0.0000
- 11ALA HB3 104 -0.994 -0.847 1.424 0.0000 0.0000 0.0000
- 11ALA C 105 -0.842 -1.008 1.694 0.0000 0.0000 0.0000
- 11ALA O 106 -0.891 -0.993 1.806 0.0000 0.0000 0.0000
- 12ALA N 107 -0.711 -1.030 1.681 0.0000 0.0000 0.0000
- 12ALA H 108 -0.671 -1.052 1.591 0.0000 0.0000 0.0000
- 12ALA CA 109 -0.616 -1.022 1.791 0.0000 0.0000 0.0000
- 12ALA HA 110 -0.648 -0.936 1.849 0.0000 0.0000 0.0000
- 12ALA CB 111 -0.612 -1.146 1.879 0.0000 0.0000 0.0000
- 12ALA HB1 112 -0.691 -1.151 1.954 0.0000 0.0000 0.0000
- 12ALA HB2 113 -0.530 -1.139 1.951 0.0000 0.0000 0.0000
- 12ALA HB3 114 -0.617 -1.237 1.819 0.0000 0.0000 0.0000
- 12ALA C 115 -0.471 -1.009 1.747 0.0000 0.0000 0.0000
- 12ALA O 116 -0.438 -1.073 1.648 0.0000 0.0000 0.0000
- 13ALA N 117 -0.390 -0.924 1.811 0.0000 0.0000 0.0000
- 13ALA H 118 -0.421 -0.858 1.881 0.0000 0.0000 0.0000
- 13ALA CA 119 -0.262 -0.887 1.754 0.0000 0.0000 0.0000
- 13ALA HA 120 -0.215 -0.976 1.712 0.0000 0.0000 0.0000
- 13ALA CB 121 -0.288 -0.775 1.654 0.0000 0.0000 0.0000
- 13ALA HB1 122 -0.299 -0.674 1.692 0.0000 0.0000 0.0000
- 13ALA HB2 123 -0.375 -0.802 1.593 0.0000 0.0000 0.0000
- 13ALA HB3 124 -0.204 -0.772 1.584 0.0000 0.0000 0.0000
- 13ALA C 125 -0.170 -0.836 1.863 0.0000 0.0000 0.0000
- 13ALA O 126 -0.204 -0.760 1.953 0.0000 0.0000 0.0000
- 14NME N 127 -0.042 -0.871 1.844 0.0000 0.0000 0.0000
- 14NME H 128 -0.026 -0.932 1.766 0.0000 0.0000 0.0000
- 14NME CH3 129 0.070 -0.836 1.929 0.0000 0.0000 0.0000
- 14NME HH31 130 0.138 -0.776 1.869 0.0000 0.0000 0.0000
- 14NME HH32 131 0.114 -0.917 1.988 0.0000 0.0000 0.0000
- 14NME HH33 132 0.042 -0.771 2.011 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -0.265 -0.942 2.309
+ 1ACE CH3 2 -0.191 -0.877 2.263
+ 1ACE HH32 3 -0.091 -0.897 2.303
+ 1ACE HH33 4 -0.196 -0.896 2.156
+ 1ACE C 5 -0.220 -0.729 2.280
+ 1ACE O 6 -0.308 -0.688 2.356
+ 2ALA N 7 -0.147 -0.647 2.204
+ 2ALA H 8 -0.071 -0.691 2.155
+ 2ALA CA 9 -0.157 -0.505 2.176
+ 2ALA HA 10 -0.129 -0.445 2.263
+ 2ALA CB 11 -0.045 -0.471 2.078
+ 2ALA HB1 12 -0.028 -0.364 2.080
+ 2ALA HB2 13 -0.068 -0.494 1.974
+ 2ALA HB3 14 0.054 -0.507 2.107
+ 2ALA C 15 -0.296 -0.458 2.137
+ 2ALA O 16 -0.349 -0.361 2.190
+ 3ALA N 17 -0.362 -0.534 2.049
+ 3ALA H 18 -0.324 -0.625 2.025
+ 3ALA CA 19 -0.493 -0.503 1.995
+ 3ALA HA 20 -0.546 -0.426 2.051
+ 3ALA CB 21 -0.466 -0.445 1.856
+ 3ALA HB1 22 -0.427 -0.343 1.862
+ 3ALA HB2 23 -0.556 -0.455 1.794
+ 3ALA HB3 24 -0.387 -0.496 1.801
+ 3ALA C 25 -0.575 -0.631 1.995
+ 3ALA O 26 -0.524 -0.740 1.970
+ 4ALA N 27 -0.705 -0.616 2.018
+ 4ALA H 28 -0.750 -0.526 2.009
+ 4ALA CA 29 -0.804 -0.722 2.011
+ 4ALA HA 30 -0.779 -0.787 1.927
+ 4ALA CB 31 -0.793 -0.815 2.132
+ 4ALA HB1 32 -0.869 -0.893 2.122
+ 4ALA HB2 33 -0.829 -0.763 2.221
+ 4ALA HB3 34 -0.691 -0.852 2.138
+ 4ALA C 35 -0.945 -0.671 1.990
+ 4ALA O 36 -0.978 -0.561 2.034
+ 5ALA N 37 -1.036 -0.754 1.938
+ 5ALA H 38 -1.006 -0.843 1.900
+ 5ALA CA 39 -1.177 -0.724 1.928
+ 5ALA HA 40 -1.211 -0.678 2.021
+ 5ALA CB 41 -1.220 -0.618 1.826
+ 5ALA HB1 42 -1.183 -0.518 1.849
+ 5ALA HB2 43 -1.327 -0.598 1.820
+ 5ALA HB3 44 -1.178 -0.651 1.732
+ 5ALA C 45 -1.260 -0.848 1.897
+ 5ALA O 46 -1.204 -0.935 1.831
+ 6ALA N 47 -1.380 -0.861 1.955
+ 6ALA H 48 -1.422 -0.777 1.994
+ 6ALA CA 49 -1.473 -0.968 1.927
+ 6ALA HA 50 -1.451 -1.006 1.827
+ 6ALA CB 51 -1.451 -1.087 2.021
+ 6ALA HB1 52 -1.467 -1.068 2.127
+ 6ALA HB2 53 -1.349 -1.119 2.001
+ 6ALA HB3 54 -1.517 -1.171 1.998
+ 6ALA C 55 -1.615 -0.915 1.929
+ 6ALA O 56 -1.648 -0.817 1.995
+ 7ALA N 57 -1.698 -0.980 1.847
+ 7ALA H 58 -1.650 -1.048 1.788
+ 7ALA CA 59 -1.822 -0.947 1.780
+ 7ALA HA 60 -1.841 -1.039 1.726
+ 7ALA CB 61 -1.936 -0.942 1.881
+ 7ALA HB1 62 -1.917 -1.012 1.963
+ 7ALA HB2 63 -2.028 -0.972 1.830
+ 7ALA HB3 64 -1.948 -0.843 1.924
+ 7ALA C 65 -1.813 -0.836 1.676
+ 7ALA O 66 -1.869 -0.851 1.568
+ 8ALA N 67 -1.746 -0.724 1.708
+ 8ALA H 68 -1.718 -0.717 1.805
+ 8ALA CA 69 -1.713 -0.618 1.616
+ 8ALA HA 70 -1.799 -0.598 1.551
+ 8ALA CB 71 -1.687 -0.486 1.688
+ 8ALA HB1 72 -1.769 -0.456 1.754
+ 8ALA HB2 73 -1.666 -0.407 1.616
+ 8ALA HB3 74 -1.605 -0.504 1.757
+ 8ALA C 75 -1.598 -0.667 1.528
+ 8ALA O 76 -1.483 -0.636 1.557
+ 9ALA N 77 -1.629 -0.758 1.435
+ 9ALA H 78 -1.728 -0.779 1.435
+ 9ALA CA 79 -1.543 -0.860 1.379
+ 9ALA HA 80 -1.603 -0.934 1.326
+ 9ALA CB 81 -1.451 -0.803 1.272
+ 9ALA HB1 82 -1.363 -0.758 1.317
+ 9ALA HB2 83 -1.503 -0.739 1.201
+ 9ALA HB3 84 -1.409 -0.886 1.214
+ 9ALA C 85 -1.482 -0.951 1.485
+ 9ALA O 86 -1.537 -0.965 1.594
+ 10ALA N 87 -1.367 -1.012 1.458
+ 10ALA H 88 -1.329 -1.008 1.364
+ 10ALA CA 89 -1.294 -1.104 1.543
+ 10ALA HA 90 -1.301 -1.096 1.652
+ 10ALA CB 91 -1.358 -1.239 1.510
+ 10ALA HB1 92 -1.349 -1.253 1.402
+ 10ALA HB2 93 -1.465 -1.241 1.531
+ 10ALA HB3 94 -1.313 -1.323 1.562
+ 10ALA C 95 -1.147 -1.095 1.507
+ 10ALA O 96 -1.106 -1.138 1.399
+ 11ALA N 97 -1.067 -1.037 1.597
+ 11ALA H 98 -1.108 -1.022 1.688
+ 11ALA CA 99 -0.930 -1.000 1.570
+ 11ALA HA 100 -0.895 -1.065 1.490
+ 11ALA CB 101 -0.931 -0.858 1.513
+ 11ALA HB1 102 -0.829 -0.825 1.499
+ 11ALA HB2 103 -0.975 -0.793 1.589
+ 11ALA HB3 104 -0.994 -0.847 1.424
+ 11ALA C 105 -0.842 -1.008 1.694
+ 11ALA O 106 -0.891 -0.993 1.806
+ 12ALA N 107 -0.711 -1.030 1.681
+ 12ALA H 108 -0.671 -1.052 1.591
+ 12ALA CA 109 -0.616 -1.022 1.791
+ 12ALA HA 110 -0.648 -0.936 1.849
+ 12ALA CB 111 -0.612 -1.146 1.879
+ 12ALA HB1 112 -0.691 -1.151 1.954
+ 12ALA HB2 113 -0.530 -1.139 1.951
+ 12ALA HB3 114 -0.617 -1.237 1.819
+ 12ALA C 115 -0.471 -1.009 1.747
+ 12ALA O 116 -0.438 -1.073 1.648
+ 13ALA N 117 -0.390 -0.924 1.811
+ 13ALA H 118 -0.421 -0.858 1.881
+ 13ALA CA 119 -0.262 -0.887 1.754
+ 13ALA HA 120 -0.215 -0.976 1.712
+ 13ALA CB 121 -0.288 -0.775 1.654
+ 13ALA HB1 122 -0.299 -0.674 1.692
+ 13ALA HB2 123 -0.375 -0.802 1.593
+ 13ALA HB3 124 -0.204 -0.772 1.584
+ 13ALA C 125 -0.170 -0.836 1.863
+ 13ALA O 126 -0.204 -0.760 1.953
+ 14NME N 127 -0.042 -0.871 1.844
+ 14NME H 128 -0.026 -0.932 1.766
+ 14NME CH3 129 0.070 -0.836 1.929
+ 14NME HH31 130 0.138 -0.776 1.869
+ 14NME HH32 131 0.114 -0.917 1.988
+ 14NME HH33 132 0.042 -0.771 2.011
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.300000
132
- 1ACE HH31 1 -1.224 -0.701 1.570 0.0000 0.0000 0.0000
- 1ACE CH3 2 -1.211 -0.800 1.526 0.0000 0.0000 0.0000
- 1ACE HH32 3 -1.288 -0.872 1.553 0.0000 0.0000 0.0000
- 1ACE HH33 4 -1.210 -0.786 1.418 0.0000 0.0000 0.0000
- 1ACE C 5 -1.076 -0.857 1.569 0.0000 0.0000 0.0000
- 1ACE O 6 -1.036 -0.960 1.517 0.0000 0.0000 0.0000
- 2ALA N 7 -0.996 -0.794 1.656 0.0000 0.0000 0.0000
- 2ALA H 8 -1.048 -0.715 1.692 0.0000 0.0000 0.0000
- 2ALA CA 9 -0.855 -0.814 1.681 0.0000 0.0000 0.0000
- 2ALA HA 10 -0.830 -0.900 1.619 0.0000 0.0000 0.0000
- 2ALA CB 11 -0.773 -0.695 1.632 0.0000 0.0000 0.0000
- 2ALA HB1 12 -0.801 -0.612 1.697 0.0000 0.0000 0.0000
- 2ALA HB2 13 -0.803 -0.670 1.531 0.0000 0.0000 0.0000
- 2ALA HB3 14 -0.667 -0.720 1.629 0.0000 0.0000 0.0000
- 2ALA C 15 -0.839 -0.850 1.827 0.0000 0.0000 0.0000
- 2ALA O 16 -0.761 -0.789 1.900 0.0000 0.0000 0.0000
- 3ALA N 17 -0.908 -0.956 1.871 0.0000 0.0000 0.0000
- 3ALA H 18 -0.984 -0.997 1.819 0.0000 0.0000 0.0000
- 3ALA CA 19 -0.916 -0.995 2.011 0.0000 0.0000 0.0000
- 3ALA HA 20 -0.993 -1.072 2.017 0.0000 0.0000 0.0000
- 3ALA CB 21 -0.782 -1.058 2.049 0.0000 0.0000 0.0000
- 3ALA HB1 22 -0.747 -1.140 1.986 0.0000 0.0000 0.0000
- 3ALA HB2 23 -0.799 -1.102 2.147 0.0000 0.0000 0.0000
- 3ALA HB3 24 -0.700 -0.986 2.046 0.0000 0.0000 0.0000
- 3ALA C 25 -0.971 -0.893 2.111 0.0000 0.0000 0.0000
- 3ALA O 26 -1.074 -0.915 2.173 0.0000 0.0000 0.0000
- 4ALA N 27 -0.879 -0.801 2.142 0.0000 0.0000 0.0000
- 4ALA H 28 -0.807 -0.799 2.071 0.0000 0.0000 0.0000
- 4ALA CA 29 -0.897 -0.689 2.231 0.0000 0.0000 0.0000
- 4ALA HA 30 -0.996 -0.685 2.278 0.0000 0.0000 0.0000
- 4ALA CB 31 -0.801 -0.712 2.347 0.0000 0.0000 0.0000
- 4ALA HB1 32 -0.787 -0.622 2.407 0.0000 0.0000 0.0000
- 4ALA HB2 33 -0.702 -0.744 2.314 0.0000 0.0000 0.0000
- 4ALA HB3 34 -0.843 -0.784 2.417 0.0000 0.0000 0.0000
- 4ALA C 35 -0.873 -0.553 2.166 0.0000 0.0000 0.0000
- 4ALA O 36 -0.926 -0.452 2.211 0.0000 0.0000 0.0000
- 5ALA N 37 -0.796 -0.546 2.057 0.0000 0.0000 0.0000
- 5ALA H 38 -0.792 -0.631 2.004 0.0000 0.0000 0.0000
- 5ALA CA 39 -0.722 -0.428 2.017 0.0000 0.0000 0.0000
- 5ALA HA 40 -0.658 -0.397 2.100 0.0000 0.0000 0.0000
- 5ALA CB 41 -0.617 -0.483 1.921 0.0000 0.0000 0.0000
- 5ALA HB1 42 -0.545 -0.538 1.981 0.0000 0.0000 0.0000
- 5ALA HB2 43 -0.563 -0.397 1.881 0.0000 0.0000 0.0000
- 5ALA HB3 44 -0.648 -0.546 1.838 0.0000 0.0000 0.0000
- 5ALA C 45 -0.814 -0.323 1.957 0.0000 0.0000 0.0000
- 5ALA O 46 -0.829 -0.316 1.835 0.0000 0.0000 0.0000
- 6ALA N 47 -0.886 -0.243 2.035 0.0000 0.0000 0.0000
- 6ALA H 48 -0.880 -0.255 2.135 0.0000 0.0000 0.0000
- 6ALA CA 49 -0.991 -0.149 1.999 0.0000 0.0000 0.0000
- 6ALA HA 50 -1.021 -0.097 2.090 0.0000 0.0000 0.0000
- 6ALA CB 51 -0.949 -0.044 1.898 0.0000 0.0000 0.0000
- 6ALA HB1 52 -0.921 -0.097 1.807 0.0000 0.0000 0.0000
- 6ALA HB2 53 -0.864 0.008 1.942 0.0000 0.0000 0.0000
- 6ALA HB3 54 -1.037 0.018 1.878 0.0000 0.0000 0.0000
- 6ALA C 55 -1.115 -0.223 1.950 0.0000 0.0000 0.0000
- 6ALA O 56 -1.227 -0.186 1.986 0.0000 0.0000 0.0000
- 7ALA N 57 -1.100 -0.333 1.877 0.0000 0.0000 0.0000
- 7ALA H 58 -1.006 -0.352 1.844 0.0000 0.0000 0.0000
- 7ALA CA 59 -1.206 -0.414 1.820 0.0000 0.0000 0.0000
- 7ALA HA 60 -1.304 -0.366 1.824 0.0000 0.0000 0.0000
- 7ALA CB 61 -1.161 -0.427 1.675 0.0000 0.0000 0.0000
- 7ALA HB1 62 -1.082 -0.498 1.652 0.0000 0.0000 0.0000
- 7ALA HB2 63 -1.130 -0.334 1.627 0.0000 0.0000 0.0000
- 7ALA HB3 64 -1.241 -0.461 1.608 0.0000 0.0000 0.0000
- 7ALA C 65 -1.213 -0.549 1.890 0.0000 0.0000 0.0000
- 7ALA O 66 -1.135 -0.635 1.851 0.0000 0.0000 0.0000
- 8ALA N 67 -1.297 -0.568 1.992 0.0000 0.0000 0.0000
- 8ALA H 68 -1.357 -0.489 2.011 0.0000 0.0000 0.0000
- 8ALA CA 69 -1.295 -0.671 2.093 0.0000 0.0000 0.0000
- 8ALA HA 70 -1.197 -0.719 2.096 0.0000 0.0000 0.0000
- 8ALA CB 71 -1.313 -0.603 2.229 0.0000 0.0000 0.0000
- 8ALA HB1 72 -1.417 -0.572 2.228 0.0000 0.0000 0.0000
- 8ALA HB2 73 -1.247 -0.517 2.230 0.0000 0.0000 0.0000
- 8ALA HB3 74 -1.282 -0.674 2.306 0.0000 0.0000 0.0000
- 8ALA C 75 -1.394 -0.779 2.054 0.0000 0.0000 0.0000
- 8ALA O 76 -1.506 -0.784 2.105 0.0000 0.0000 0.0000
- 9ALA N 77 -1.349 -0.861 1.958 0.0000 0.0000 0.0000
- 9ALA H 78 -1.259 -0.837 1.918 0.0000 0.0000 0.0000
- 9ALA CA 79 -1.399 -0.990 1.917 0.0000 0.0000 0.0000
- 9ALA HA 80 -1.414 -1.050 2.007 0.0000 0.0000 0.0000
- 9ALA CB 81 -1.536 -0.972 1.853 0.0000 0.0000 0.0000
- 9ALA HB1 82 -1.607 -0.937 1.928 0.0000 0.0000 0.0000
- 9ALA HB2 83 -1.574 -1.071 1.826 0.0000 0.0000 0.0000
- 9ALA HB3 84 -1.536 -0.908 1.765 0.0000 0.0000 0.0000
- 9ALA C 85 -1.290 -1.058 1.836 0.0000 0.0000 0.0000
- 9ALA O 86 -1.173 -1.019 1.831 0.0000 0.0000 0.0000
- 10ALA N 87 -1.334 -1.164 1.766 0.0000 0.0000 0.0000
- 10ALA H 88 -1.430 -1.187 1.748 0.0000 0.0000 0.0000
- 10ALA CA 89 -1.243 -1.246 1.689 0.0000 0.0000 0.0000
- 10ALA HA 90 -1.141 -1.208 1.695 0.0000 0.0000 0.0000
- 10ALA CB 91 -1.240 -1.384 1.754 0.0000 0.0000 0.0000
- 10ALA HB1 92 -1.186 -1.396 1.848 0.0000 0.0000 0.0000
- 10ALA HB2 93 -1.191 -1.452 1.686 0.0000 0.0000 0.0000
- 10ALA HB3 94 -1.339 -1.427 1.770 0.0000 0.0000 0.0000
- 10ALA C 95 -1.286 -1.247 1.543 0.0000 0.0000 0.0000
- 10ALA O 96 -1.394 -1.297 1.514 0.0000 0.0000 0.0000
- 11ALA N 97 -1.195 -1.200 1.458 0.0000 0.0000 0.0000
- 11ALA H 98 -1.120 -1.143 1.496 0.0000 0.0000 0.0000
- 11ALA CA 99 -1.194 -1.228 1.316 0.0000 0.0000 0.0000
- 11ALA HA 100 -1.223 -1.333 1.306 0.0000 0.0000 0.0000
- 11ALA CB 101 -1.290 -1.135 1.242 0.0000 0.0000 0.0000
- 11ALA HB1 102 -1.392 -1.166 1.263 0.0000 0.0000 0.0000
- 11ALA HB2 103 -1.264 -1.132 1.136 0.0000 0.0000 0.0000
- 11ALA HB3 104 -1.280 -1.032 1.275 0.0000 0.0000 0.0000
- 11ALA C 105 -1.049 -1.215 1.270 0.0000 0.0000 0.0000
- 11ALA O 106 -0.997 -1.318 1.228 0.0000 0.0000 0.0000
- 12ALA N 107 -0.994 -1.093 1.267 0.0000 0.0000 0.0000
- 12ALA H 108 -1.051 -1.026 1.316 0.0000 0.0000 0.0000
- 12ALA CA 109 -0.856 -1.063 1.235 0.0000 0.0000 0.0000
- 12ALA HA 110 -0.833 -1.082 1.130 0.0000 0.0000 0.0000
- 12ALA CB 111 -0.825 -0.915 1.250 0.0000 0.0000 0.0000
- 12ALA HB1 112 -0.818 -0.886 1.354 0.0000 0.0000 0.0000
- 12ALA HB2 113 -0.895 -0.846 1.201 0.0000 0.0000 0.0000
- 12ALA HB3 114 -0.732 -0.879 1.205 0.0000 0.0000 0.0000
- 12ALA C 115 -0.756 -1.136 1.325 0.0000 0.0000 0.0000
- 12ALA O 116 -0.652 -1.180 1.278 0.0000 0.0000 0.0000
- 13ALA N 117 -0.791 -1.146 1.454 0.0000 0.0000 0.0000
- 13ALA H 118 -0.879 -1.106 1.484 0.0000 0.0000 0.0000
- 13ALA CA 119 -0.705 -1.188 1.563 0.0000 0.0000 0.0000
- 13ALA HA 120 -0.756 -1.155 1.654 0.0000 0.0000 0.0000
- 13ALA CB 121 -0.709 -1.341 1.567 0.0000 0.0000 0.0000
- 13ALA HB1 122 -0.690 -1.383 1.469 0.0000 0.0000 0.0000
- 13ALA HB2 123 -0.800 -1.376 1.615 0.0000 0.0000 0.0000
- 13ALA HB3 124 -0.628 -1.370 1.635 0.0000 0.0000 0.0000
- 13ALA C 125 -0.572 -1.116 1.551 0.0000 0.0000 0.0000
- 13ALA O 126 -0.563 -0.994 1.561 0.0000 0.0000 0.0000
- 14NME N 127 -0.463 -1.194 1.540 0.0000 0.0000 0.0000
- 14NME H 128 -0.486 -1.291 1.526 0.0000 0.0000 0.0000
- 14NME CH3 129 -0.331 -1.137 1.531 0.0000 0.0000 0.0000
- 14NME HH31 130 -0.296 -1.121 1.429 0.0000 0.0000 0.0000
- 14NME HH32 131 -0.263 -1.215 1.564 0.0000 0.0000 0.0000
- 14NME HH33 132 -0.327 -1.051 1.598 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -1.224 -0.701 1.570
+ 1ACE CH3 2 -1.211 -0.800 1.526
+ 1ACE HH32 3 -1.288 -0.872 1.553
+ 1ACE HH33 4 -1.210 -0.786 1.418
+ 1ACE C 5 -1.076 -0.857 1.569
+ 1ACE O 6 -1.036 -0.960 1.517
+ 2ALA N 7 -0.996 -0.794 1.656
+ 2ALA H 8 -1.048 -0.715 1.692
+ 2ALA CA 9 -0.855 -0.814 1.681
+ 2ALA HA 10 -0.830 -0.900 1.619
+ 2ALA CB 11 -0.773 -0.695 1.632
+ 2ALA HB1 12 -0.801 -0.612 1.697
+ 2ALA HB2 13 -0.803 -0.670 1.531
+ 2ALA HB3 14 -0.667 -0.720 1.629
+ 2ALA C 15 -0.839 -0.850 1.827
+ 2ALA O 16 -0.761 -0.789 1.900
+ 3ALA N 17 -0.908 -0.956 1.871
+ 3ALA H 18 -0.984 -0.997 1.819
+ 3ALA CA 19 -0.916 -0.995 2.011
+ 3ALA HA 20 -0.993 -1.072 2.017
+ 3ALA CB 21 -0.782 -1.058 2.049
+ 3ALA HB1 22 -0.747 -1.140 1.986
+ 3ALA HB2 23 -0.799 -1.102 2.147
+ 3ALA HB3 24 -0.700 -0.986 2.046
+ 3ALA C 25 -0.971 -0.893 2.111
+ 3ALA O 26 -1.074 -0.915 2.173
+ 4ALA N 27 -0.879 -0.801 2.142
+ 4ALA H 28 -0.807 -0.799 2.071
+ 4ALA CA 29 -0.897 -0.689 2.231
+ 4ALA HA 30 -0.996 -0.685 2.278
+ 4ALA CB 31 -0.801 -0.712 2.347
+ 4ALA HB1 32 -0.787 -0.622 2.407
+ 4ALA HB2 33 -0.702 -0.744 2.314
+ 4ALA HB3 34 -0.843 -0.784 2.417
+ 4ALA C 35 -0.873 -0.553 2.166
+ 4ALA O 36 -0.926 -0.452 2.211
+ 5ALA N 37 -0.796 -0.546 2.057
+ 5ALA H 38 -0.792 -0.631 2.004
+ 5ALA CA 39 -0.722 -0.428 2.017
+ 5ALA HA 40 -0.658 -0.397 2.100
+ 5ALA CB 41 -0.617 -0.483 1.921
+ 5ALA HB1 42 -0.545 -0.538 1.981
+ 5ALA HB2 43 -0.563 -0.397 1.881
+ 5ALA HB3 44 -0.648 -0.546 1.838
+ 5ALA C 45 -0.814 -0.323 1.957
+ 5ALA O 46 -0.829 -0.316 1.835
+ 6ALA N 47 -0.886 -0.243 2.035
+ 6ALA H 48 -0.880 -0.255 2.135
+ 6ALA CA 49 -0.991 -0.149 1.999
+ 6ALA HA 50 -1.021 -0.097 2.090
+ 6ALA CB 51 -0.949 -0.044 1.898
+ 6ALA HB1 52 -0.921 -0.097 1.807
+ 6ALA HB2 53 -0.864 0.008 1.942
+ 6ALA HB3 54 -1.037 0.018 1.878
+ 6ALA C 55 -1.115 -0.223 1.950
+ 6ALA O 56 -1.227 -0.186 1.986
+ 7ALA N 57 -1.100 -0.333 1.877
+ 7ALA H 58 -1.006 -0.352 1.844
+ 7ALA CA 59 -1.206 -0.414 1.820
+ 7ALA HA 60 -1.304 -0.366 1.824
+ 7ALA CB 61 -1.161 -0.427 1.675
+ 7ALA HB1 62 -1.082 -0.498 1.652
+ 7ALA HB2 63 -1.130 -0.334 1.627
+ 7ALA HB3 64 -1.241 -0.461 1.608
+ 7ALA C 65 -1.213 -0.549 1.890
+ 7ALA O 66 -1.135 -0.635 1.851
+ 8ALA N 67 -1.297 -0.568 1.992
+ 8ALA H 68 -1.357 -0.489 2.011
+ 8ALA CA 69 -1.295 -0.671 2.093
+ 8ALA HA 70 -1.197 -0.719 2.096
+ 8ALA CB 71 -1.313 -0.603 2.229
+ 8ALA HB1 72 -1.417 -0.572 2.228
+ 8ALA HB2 73 -1.247 -0.517 2.230
+ 8ALA HB3 74 -1.282 -0.674 2.306
+ 8ALA C 75 -1.394 -0.779 2.054
+ 8ALA O 76 -1.506 -0.784 2.105
+ 9ALA N 77 -1.349 -0.861 1.958
+ 9ALA H 78 -1.259 -0.837 1.918
+ 9ALA CA 79 -1.399 -0.990 1.917
+ 9ALA HA 80 -1.414 -1.050 2.007
+ 9ALA CB 81 -1.536 -0.972 1.853
+ 9ALA HB1 82 -1.607 -0.937 1.928
+ 9ALA HB2 83 -1.574 -1.071 1.826
+ 9ALA HB3 84 -1.536 -0.908 1.765
+ 9ALA C 85 -1.290 -1.058 1.836
+ 9ALA O 86 -1.173 -1.019 1.831
+ 10ALA N 87 -1.334 -1.164 1.766
+ 10ALA H 88 -1.430 -1.187 1.748
+ 10ALA CA 89 -1.243 -1.246 1.689
+ 10ALA HA 90 -1.141 -1.208 1.695
+ 10ALA CB 91 -1.240 -1.384 1.754
+ 10ALA HB1 92 -1.186 -1.396 1.848
+ 10ALA HB2 93 -1.191 -1.452 1.686
+ 10ALA HB3 94 -1.339 -1.427 1.770
+ 10ALA C 95 -1.286 -1.247 1.543
+ 10ALA O 96 -1.394 -1.297 1.514
+ 11ALA N 97 -1.195 -1.200 1.458
+ 11ALA H 98 -1.120 -1.143 1.496
+ 11ALA CA 99 -1.194 -1.228 1.316
+ 11ALA HA 100 -1.223 -1.333 1.306
+ 11ALA CB 101 -1.290 -1.135 1.242
+ 11ALA HB1 102 -1.392 -1.166 1.263
+ 11ALA HB2 103 -1.264 -1.132 1.136
+ 11ALA HB3 104 -1.280 -1.032 1.275
+ 11ALA C 105 -1.049 -1.215 1.270
+ 11ALA O 106 -0.997 -1.318 1.228
+ 12ALA N 107 -0.994 -1.093 1.267
+ 12ALA H 108 -1.051 -1.026 1.316
+ 12ALA CA 109 -0.856 -1.063 1.235
+ 12ALA HA 110 -0.833 -1.082 1.130
+ 12ALA CB 111 -0.825 -0.915 1.250
+ 12ALA HB1 112 -0.818 -0.886 1.354
+ 12ALA HB2 113 -0.895 -0.846 1.201
+ 12ALA HB3 114 -0.732 -0.879 1.205
+ 12ALA C 115 -0.756 -1.136 1.325
+ 12ALA O 116 -0.652 -1.180 1.278
+ 13ALA N 117 -0.791 -1.146 1.454
+ 13ALA H 118 -0.879 -1.106 1.484
+ 13ALA CA 119 -0.705 -1.188 1.563
+ 13ALA HA 120 -0.756 -1.155 1.654
+ 13ALA CB 121 -0.709 -1.341 1.567
+ 13ALA HB1 122 -0.690 -1.383 1.469
+ 13ALA HB2 123 -0.800 -1.376 1.615
+ 13ALA HB3 124 -0.628 -1.370 1.635
+ 13ALA C 125 -0.572 -1.116 1.551
+ 13ALA O 126 -0.563 -0.994 1.561
+ 14NME N 127 -0.463 -1.194 1.540
+ 14NME H 128 -0.486 -1.291 1.526
+ 14NME CH3 129 -0.331 -1.137 1.531
+ 14NME HH31 130 -0.296 -1.121 1.429
+ 14NME HH32 131 -0.263 -1.215 1.564
+ 14NME HH33 132 -0.327 -1.051 1.598
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.350000
132
- 1ACE HH31 1 -0.326 -0.921 2.604 0.0000 0.0000 0.0000
- 1ACE CH3 2 -0.404 -0.848 2.581 0.0000 0.0000 0.0000
- 1ACE HH32 3 -0.482 -0.848 2.657 0.0000 0.0000 0.0000
- 1ACE HH33 4 -0.367 -0.745 2.579 0.0000 0.0000 0.0000
- 1ACE C 5 -0.470 -0.880 2.448 0.0000 0.0000 0.0000
- 1ACE O 6 -0.409 -0.934 2.357 0.0000 0.0000 0.0000
- 2ALA N 7 -0.603 -0.866 2.443 0.0000 0.0000 0.0000
- 2ALA H 8 -0.638 -0.830 2.530 0.0000 0.0000 0.0000
- 2ALA CA 9 -0.679 -0.868 2.319 0.0000 0.0000 0.0000
- 2ALA HA 10 -0.651 -0.951 2.254 0.0000 0.0000 0.0000
- 2ALA CB 11 -0.827 -0.891 2.347 0.0000 0.0000 0.0000
- 2ALA HB1 12 -0.881 -0.842 2.267 0.0000 0.0000 0.0000
- 2ALA HB2 13 -0.862 -0.854 2.444 0.0000 0.0000 0.0000
- 2ALA HB3 14 -0.851 -0.997 2.340 0.0000 0.0000 0.0000
- 2ALA C 15 -0.653 -0.736 2.248 0.0000 0.0000 0.0000
- 2ALA O 16 -0.668 -0.629 2.307 0.0000 0.0000 0.0000
- 3ALA N 17 -0.640 -0.740 2.115 0.0000 0.0000 0.0000
- 3ALA H 18 -0.626 -0.833 2.078 0.0000 0.0000 0.0000
- 3ALA CA 19 -0.637 -0.630 2.022 0.0000 0.0000 0.0000
- 3ALA HA 20 -0.575 -0.554 2.070 0.0000 0.0000 0.0000
- 3ALA CB 21 -0.564 -0.672 1.895 0.0000 0.0000 0.0000
- 3ALA HB1 22 -0.596 -0.770 1.859 0.0000 0.0000 0.0000
- 3ALA HB2 23 -0.458 -0.670 1.922 0.0000 0.0000 0.0000
- 3ALA HB3 24 -0.572 -0.601 1.813 0.0000 0.0000 0.0000
- 3ALA C 25 -0.769 -0.559 1.993 0.0000 0.0000 0.0000
- 3ALA O 26 -0.825 -0.563 1.884 0.0000 0.0000 0.0000
- 4ALA N 27 -0.824 -0.498 2.098 0.0000 0.0000 0.0000
- 4ALA H 28 -0.785 -0.529 2.187 0.0000 0.0000 0.0000
- 4ALA CA 29 -0.931 -0.400 2.094 0.0000 0.0000 0.0000
- 4ALA HA 30 -0.967 -0.408 2.197 0.0000 0.0000 0.0000
- 4ALA CB 31 -0.867 -0.263 2.078 0.0000 0.0000 0.0000
- 4ALA HB1 32 -0.818 -0.265 1.981 0.0000 0.0000 0.0000
- 4ALA HB2 33 -0.790 -0.248 2.154 0.0000 0.0000 0.0000
- 4ALA HB3 34 -0.935 -0.179 2.092 0.0000 0.0000 0.0000
- 4ALA C 35 -1.051 -0.440 2.010 0.0000 0.0000 0.0000
- 4ALA O 36 -1.116 -0.543 2.026 0.0000 0.0000 0.0000
- 5ALA N 37 -1.085 -0.351 1.917 0.0000 0.0000 0.0000
- 5ALA H 38 -1.047 -0.257 1.926 0.0000 0.0000 0.0000
- 5ALA CA 39 -1.200 -0.367 1.831 0.0000 0.0000 0.0000
- 5ALA HA 40 -1.292 -0.372 1.889 0.0000 0.0000 0.0000
- 5ALA CB 41 -1.207 -0.235 1.755 0.0000 0.0000 0.0000
- 5ALA HB1 42 -1.220 -0.163 1.835 0.0000 0.0000 0.0000
- 5ALA HB2 43 -1.292 -0.238 1.687 0.0000 0.0000 0.0000
- 5ALA HB3 44 -1.115 -0.214 1.700 0.0000 0.0000 0.0000
- 5ALA C 45 -1.190 -0.488 1.738 0.0000 0.0000 0.0000
- 5ALA O 46 -1.286 -0.562 1.718 0.0000 0.0000 0.0000
- 6ALA N 47 -1.075 -0.497 1.671 0.0000 0.0000 0.0000
- 6ALA H 48 -1.011 -0.426 1.704 0.0000 0.0000 0.0000
- 6ALA CA 49 -1.032 -0.612 1.594 0.0000 0.0000 0.0000
- 6ALA HA 50 -1.092 -0.610 1.503 0.0000 0.0000 0.0000
- 6ALA CB 51 -0.885 -0.593 1.559 0.0000 0.0000 0.0000
- 6ALA HB1 52 -0.860 -0.487 1.558 0.0000 0.0000 0.0000
- 6ALA HB2 53 -0.876 -0.633 1.458 0.0000 0.0000 0.0000
- 6ALA HB3 54 -0.819 -0.652 1.622 0.0000 0.0000 0.0000
- 6ALA C 55 -1.047 -0.749 1.658 0.0000 0.0000 0.0000
- 6ALA O 56 -1.086 -0.845 1.591 0.0000 0.0000 0.0000
- 7ALA N 57 -1.010 -0.753 1.786 0.0000 0.0000 0.0000
- 7ALA H 58 -0.966 -0.670 1.822 0.0000 0.0000 0.0000
- 7ALA CA 59 -1.036 -0.871 1.867 0.0000 0.0000 0.0000
- 7ALA HA 60 -1.011 -0.963 1.814 0.0000 0.0000 0.0000
- 7ALA CB 61 -0.938 -0.863 1.983 0.0000 0.0000 0.0000
- 7ALA HB1 62 -0.838 -0.858 1.940 0.0000 0.0000 0.0000
- 7ALA HB2 63 -0.940 -0.946 2.053 0.0000 0.0000 0.0000
- 7ALA HB3 64 -0.957 -0.770 2.037 0.0000 0.0000 0.0000
- 7ALA C 65 -1.181 -0.888 1.912 0.0000 0.0000 0.0000
- 7ALA O 66 -1.234 -0.998 1.911 0.0000 0.0000 0.0000
- 8ALA N 67 -1.240 -0.780 1.963 0.0000 0.0000 0.0000
- 8ALA H 68 -1.194 -0.690 1.964 0.0000 0.0000 0.0000
- 8ALA CA 69 -1.380 -0.784 2.000 0.0000 0.0000 0.0000
- 8ALA HA 70 -1.387 -0.862 2.075 0.0000 0.0000 0.0000
- 8ALA CB 71 -1.413 -0.651 2.067 0.0000 0.0000 0.0000
- 8ALA HB1 72 -1.343 -0.624 2.147 0.0000 0.0000 0.0000
- 8ALA HB2 73 -1.511 -0.651 2.116 0.0000 0.0000 0.0000
- 8ALA HB3 74 -1.412 -0.572 1.992 0.0000 0.0000 0.0000
- 8ALA C 75 -1.473 -0.825 1.886 0.0000 0.0000 0.0000
- 8ALA O 76 -1.577 -0.882 1.914 0.0000 0.0000 0.0000
- 9ALA N 77 -1.437 -0.792 1.762 0.0000 0.0000 0.0000
- 9ALA H 78 -1.370 -0.718 1.749 0.0000 0.0000 0.0000
- 9ALA CA 79 -1.513 -0.839 1.648 0.0000 0.0000 0.0000
- 9ALA HA 80 -1.616 -0.853 1.681 0.0000 0.0000 0.0000
- 9ALA CB 81 -1.517 -0.721 1.552 0.0000 0.0000 0.0000
- 9ALA HB1 82 -1.569 -0.646 1.612 0.0000 0.0000 0.0000
- 9ALA HB2 83 -1.573 -0.755 1.465 0.0000 0.0000 0.0000
- 9ALA HB3 84 -1.411 -0.704 1.530 0.0000 0.0000 0.0000
- 9ALA C 85 -1.453 -0.965 1.587 0.0000 0.0000 0.0000
- 9ALA O 86 -1.506 -1.026 1.494 0.0000 0.0000 0.0000
- 10ALA N 87 -1.339 -1.015 1.635 0.0000 0.0000 0.0000
- 10ALA H 88 -1.301 -0.983 1.723 0.0000 0.0000 0.0000
- 10ALA CA 89 -1.282 -1.141 1.592 0.0000 0.0000 0.0000
- 10ALA HA 90 -1.193 -1.143 1.655 0.0000 0.0000 0.0000
- 10ALA CB 91 -1.366 -1.258 1.641 0.0000 0.0000 0.0000
- 10ALA HB1 92 -1.454 -1.246 1.578 0.0000 0.0000 0.0000
- 10ALA HB2 93 -1.402 -1.248 1.744 0.0000 0.0000 0.0000
- 10ALA HB3 94 -1.313 -1.352 1.623 0.0000 0.0000 0.0000
- 10ALA C 95 -1.229 -1.154 1.450 0.0000 0.0000 0.0000
- 10ALA O 96 -1.240 -1.254 1.380 0.0000 0.0000 0.0000
- 11ALA N 97 -1.140 -1.059 1.420 0.0000 0.0000 0.0000
- 11ALA H 98 -1.131 -0.991 1.494 0.0000 0.0000 0.0000
- 11ALA CA 99 -1.053 -1.062 1.304 0.0000 0.0000 0.0000
- 11ALA HA 100 -1.091 -1.135 1.232 0.0000 0.0000 0.0000
- 11ALA CB 101 -1.050 -0.921 1.245 0.0000 0.0000 0.0000
- 11ALA HB1 102 -1.008 -0.932 1.145 0.0000 0.0000 0.0000
- 11ALA HB2 103 -0.986 -0.861 1.311 0.0000 0.0000 0.0000
- 11ALA HB3 104 -1.151 -0.886 1.226 0.0000 0.0000 0.0000
- 11ALA C 105 -0.911 -1.102 1.339 0.0000 0.0000 0.0000
- 11ALA O 106 -0.847 -1.180 1.269 0.0000 0.0000 0.0000
- 12ALA N 107 -0.855 -1.044 1.446 0.0000 0.0000 0.0000
- 12ALA H 108 -0.911 -0.977 1.497 0.0000 0.0000 0.0000
- 12ALA CA 109 -0.712 -1.052 1.469 0.0000 0.0000 0.0000
- 12ALA HA 110 -0.670 -1.144 1.428 0.0000 0.0000 0.0000
- 12ALA CB 111 -0.649 -0.931 1.402 0.0000 0.0000 0.0000
- 12ALA HB1 112 -0.541 -0.946 1.414 0.0000 0.0000 0.0000
- 12ALA HB2 113 -0.676 -0.836 1.448 0.0000 0.0000 0.0000
- 12ALA HB3 114 -0.679 -0.939 1.298 0.0000 0.0000 0.0000
- 12ALA C 115 -0.700 -1.049 1.621 0.0000 0.0000 0.0000
- 12ALA O 116 -0.692 -0.943 1.682 0.0000 0.0000 0.0000
- 13ALA N 117 -0.722 -1.163 1.688 0.0000 0.0000 0.0000
- 13ALA H 118 -0.725 -1.253 1.641 0.0000 0.0000 0.0000
- 13ALA CA 119 -0.732 -1.169 1.832 0.0000 0.0000 0.0000
- 13ALA HA 120 -0.830 -1.130 1.860 0.0000 0.0000 0.0000
- 13ALA CB 121 -0.735 -1.315 1.875 0.0000 0.0000 0.0000
- 13ALA HB1 122 -0.639 -1.364 1.857 0.0000 0.0000 0.0000
- 13ALA HB2 123 -0.826 -1.366 1.846 0.0000 0.0000 0.0000
- 13ALA HB3 124 -0.742 -1.320 1.984 0.0000 0.0000 0.0000
- 13ALA C 125 -0.631 -1.095 1.919 0.0000 0.0000 0.0000
- 13ALA O 126 -0.671 -1.037 2.019 0.0000 0.0000 0.0000
- 14NME N 127 -0.501 -1.107 1.889 0.0000 0.0000 0.0000
- 14NME H 128 -0.473 -1.155 1.805 0.0000 0.0000 0.0000
- 14NME CH3 129 -0.388 -1.051 1.961 0.0000 0.0000 0.0000
- 14NME HH31 130 -0.300 -1.105 1.927 0.0000 0.0000 0.0000
- 14NME HH32 131 -0.420 -1.061 2.064 0.0000 0.0000 0.0000
- 14NME HH33 132 -0.367 -0.946 1.937 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -0.326 -0.921 2.604
+ 1ACE CH3 2 -0.404 -0.848 2.581
+ 1ACE HH32 3 -0.482 -0.848 2.657
+ 1ACE HH33 4 -0.367 -0.745 2.579
+ 1ACE C 5 -0.470 -0.880 2.448
+ 1ACE O 6 -0.409 -0.934 2.357
+ 2ALA N 7 -0.603 -0.866 2.443
+ 2ALA H 8 -0.638 -0.830 2.530
+ 2ALA CA 9 -0.679 -0.868 2.319
+ 2ALA HA 10 -0.651 -0.951 2.254
+ 2ALA CB 11 -0.827 -0.891 2.347
+ 2ALA HB1 12 -0.881 -0.842 2.267
+ 2ALA HB2 13 -0.862 -0.854 2.444
+ 2ALA HB3 14 -0.851 -0.997 2.340
+ 2ALA C 15 -0.653 -0.736 2.248
+ 2ALA O 16 -0.668 -0.629 2.307
+ 3ALA N 17 -0.640 -0.740 2.115
+ 3ALA H 18 -0.626 -0.833 2.078
+ 3ALA CA 19 -0.637 -0.630 2.022
+ 3ALA HA 20 -0.575 -0.554 2.070
+ 3ALA CB 21 -0.564 -0.672 1.895
+ 3ALA HB1 22 -0.596 -0.770 1.859
+ 3ALA HB2 23 -0.458 -0.670 1.922
+ 3ALA HB3 24 -0.572 -0.601 1.813
+ 3ALA C 25 -0.769 -0.559 1.993
+ 3ALA O 26 -0.825 -0.563 1.884
+ 4ALA N 27 -0.824 -0.498 2.098
+ 4ALA H 28 -0.785 -0.529 2.187
+ 4ALA CA 29 -0.931 -0.400 2.094
+ 4ALA HA 30 -0.967 -0.408 2.197
+ 4ALA CB 31 -0.867 -0.263 2.078
+ 4ALA HB1 32 -0.818 -0.265 1.981
+ 4ALA HB2 33 -0.790 -0.248 2.154
+ 4ALA HB3 34 -0.935 -0.179 2.092
+ 4ALA C 35 -1.051 -0.440 2.010
+ 4ALA O 36 -1.116 -0.543 2.026
+ 5ALA N 37 -1.085 -0.351 1.917
+ 5ALA H 38 -1.047 -0.257 1.926
+ 5ALA CA 39 -1.200 -0.367 1.831
+ 5ALA HA 40 -1.292 -0.372 1.889
+ 5ALA CB 41 -1.207 -0.235 1.755
+ 5ALA HB1 42 -1.220 -0.163 1.835
+ 5ALA HB2 43 -1.292 -0.238 1.687
+ 5ALA HB3 44 -1.115 -0.214 1.700
+ 5ALA C 45 -1.190 -0.488 1.738
+ 5ALA O 46 -1.286 -0.562 1.718
+ 6ALA N 47 -1.075 -0.497 1.671
+ 6ALA H 48 -1.011 -0.426 1.704
+ 6ALA CA 49 -1.032 -0.612 1.594
+ 6ALA HA 50 -1.092 -0.610 1.503
+ 6ALA CB 51 -0.885 -0.593 1.559
+ 6ALA HB1 52 -0.860 -0.487 1.558
+ 6ALA HB2 53 -0.876 -0.633 1.458
+ 6ALA HB3 54 -0.819 -0.652 1.622
+ 6ALA C 55 -1.047 -0.749 1.658
+ 6ALA O 56 -1.086 -0.845 1.591
+ 7ALA N 57 -1.010 -0.753 1.786
+ 7ALA H 58 -0.966 -0.670 1.822
+ 7ALA CA 59 -1.036 -0.871 1.867
+ 7ALA HA 60 -1.011 -0.963 1.814
+ 7ALA CB 61 -0.938 -0.863 1.983
+ 7ALA HB1 62 -0.838 -0.858 1.940
+ 7ALA HB2 63 -0.940 -0.946 2.053
+ 7ALA HB3 64 -0.957 -0.770 2.037
+ 7ALA C 65 -1.181 -0.888 1.912
+ 7ALA O 66 -1.234 -0.998 1.911
+ 8ALA N 67 -1.240 -0.780 1.963
+ 8ALA H 68 -1.194 -0.690 1.964
+ 8ALA CA 69 -1.380 -0.784 2.000
+ 8ALA HA 70 -1.387 -0.862 2.075
+ 8ALA CB 71 -1.413 -0.651 2.067
+ 8ALA HB1 72 -1.343 -0.624 2.147
+ 8ALA HB2 73 -1.511 -0.651 2.116
+ 8ALA HB3 74 -1.412 -0.572 1.992
+ 8ALA C 75 -1.473 -0.825 1.886
+ 8ALA O 76 -1.577 -0.882 1.914
+ 9ALA N 77 -1.437 -0.792 1.762
+ 9ALA H 78 -1.370 -0.718 1.749
+ 9ALA CA 79 -1.513 -0.839 1.648
+ 9ALA HA 80 -1.616 -0.853 1.681
+ 9ALA CB 81 -1.517 -0.721 1.552
+ 9ALA HB1 82 -1.569 -0.646 1.612
+ 9ALA HB2 83 -1.573 -0.755 1.465
+ 9ALA HB3 84 -1.411 -0.704 1.530
+ 9ALA C 85 -1.453 -0.965 1.587
+ 9ALA O 86 -1.506 -1.026 1.494
+ 10ALA N 87 -1.339 -1.015 1.635
+ 10ALA H 88 -1.301 -0.983 1.723
+ 10ALA CA 89 -1.282 -1.141 1.592
+ 10ALA HA 90 -1.193 -1.143 1.655
+ 10ALA CB 91 -1.366 -1.258 1.641
+ 10ALA HB1 92 -1.454 -1.246 1.578
+ 10ALA HB2 93 -1.402 -1.248 1.744
+ 10ALA HB3 94 -1.313 -1.352 1.623
+ 10ALA C 95 -1.229 -1.154 1.450
+ 10ALA O 96 -1.240 -1.254 1.380
+ 11ALA N 97 -1.140 -1.059 1.420
+ 11ALA H 98 -1.131 -0.991 1.494
+ 11ALA CA 99 -1.053 -1.062 1.304
+ 11ALA HA 100 -1.091 -1.135 1.232
+ 11ALA CB 101 -1.050 -0.921 1.245
+ 11ALA HB1 102 -1.008 -0.932 1.145
+ 11ALA HB2 103 -0.986 -0.861 1.311
+ 11ALA HB3 104 -1.151 -0.886 1.226
+ 11ALA C 105 -0.911 -1.102 1.339
+ 11ALA O 106 -0.847 -1.180 1.269
+ 12ALA N 107 -0.855 -1.044 1.446
+ 12ALA H 108 -0.911 -0.977 1.497
+ 12ALA CA 109 -0.712 -1.052 1.469
+ 12ALA HA 110 -0.670 -1.144 1.428
+ 12ALA CB 111 -0.649 -0.931 1.402
+ 12ALA HB1 112 -0.541 -0.946 1.414
+ 12ALA HB2 113 -0.676 -0.836 1.448
+ 12ALA HB3 114 -0.679 -0.939 1.298
+ 12ALA C 115 -0.700 -1.049 1.621
+ 12ALA O 116 -0.692 -0.943 1.682
+ 13ALA N 117 -0.722 -1.163 1.688
+ 13ALA H 118 -0.725 -1.253 1.641
+ 13ALA CA 119 -0.732 -1.169 1.832
+ 13ALA HA 120 -0.830 -1.130 1.860
+ 13ALA CB 121 -0.735 -1.315 1.875
+ 13ALA HB1 122 -0.639 -1.364 1.857
+ 13ALA HB2 123 -0.826 -1.366 1.846
+ 13ALA HB3 124 -0.742 -1.320 1.984
+ 13ALA C 125 -0.631 -1.095 1.919
+ 13ALA O 126 -0.671 -1.037 2.019
+ 14NME N 127 -0.501 -1.107 1.889
+ 14NME H 128 -0.473 -1.155 1.805
+ 14NME CH3 129 -0.388 -1.051 1.961
+ 14NME HH31 130 -0.300 -1.105 1.927
+ 14NME HH32 131 -0.420 -1.061 2.064
+ 14NME HH33 132 -0.367 -0.946 1.937
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.400000
132
- 1ACE HH31 1 -0.264 -1.191 1.743 0.0000 0.0000 0.0000
- 1ACE CH3 2 -0.363 -1.148 1.752 0.0000 0.0000 0.0000
- 1ACE HH32 3 -0.355 -1.057 1.693 0.0000 0.0000 0.0000
- 1ACE HH33 4 -0.426 -1.225 1.706 0.0000 0.0000 0.0000
- 1ACE C 5 -0.420 -1.129 1.892 0.0000 0.0000 0.0000
- 1ACE O 6 -0.459 -1.224 1.960 0.0000 0.0000 0.0000
- 2ALA N 7 -0.423 -1.003 1.934 0.0000 0.0000 0.0000
- 2ALA H 8 -0.418 -0.933 1.861 0.0000 0.0000 0.0000
- 2ALA CA 9 -0.438 -0.947 2.067 0.0000 0.0000 0.0000
- 2ALA HA 10 -0.469 -1.016 2.145 0.0000 0.0000 0.0000
- 2ALA CB 11 -0.299 -0.894 2.101 0.0000 0.0000 0.0000
- 2ALA HB1 12 -0.265 -0.824 2.025 0.0000 0.0000 0.0000
- 2ALA HB2 13 -0.226 -0.975 2.096 0.0000 0.0000 0.0000
- 2ALA HB3 14 -0.297 -0.838 2.194 0.0000 0.0000 0.0000
- 2ALA C 15 -0.540 -0.834 2.075 0.0000 0.0000 0.0000
- 2ALA O 16 -0.647 -0.851 2.133 0.0000 0.0000 0.0000
- 3ALA N 17 -0.510 -0.720 2.013 0.0000 0.0000 0.0000
- 3ALA H 18 -0.421 -0.712 1.964 0.0000 0.0000 0.0000
- 3ALA CA 19 -0.598 -0.605 2.008 0.0000 0.0000 0.0000
- 3ALA HA 20 -0.642 -0.600 2.108 0.0000 0.0000 0.0000
- 3ALA CB 21 -0.526 -0.476 1.972 0.0000 0.0000 0.0000
- 3ALA HB1 22 -0.597 -0.393 1.972 0.0000 0.0000 0.0000
- 3ALA HB2 23 -0.489 -0.493 1.871 0.0000 0.0000 0.0000
- 3ALA HB3 24 -0.439 -0.456 2.033 0.0000 0.0000 0.0000
- 3ALA C 25 -0.712 -0.632 1.911 0.0000 0.0000 0.0000
- 3ALA O 26 -0.706 -0.594 1.794 0.0000 0.0000 0.0000
- 4ALA N 27 -0.819 -0.682 1.974 0.0000 0.0000 0.0000
- 4ALA H 28 -0.817 -0.723 2.067 0.0000 0.0000 0.0000
- 4ALA CA 29 -0.952 -0.675 1.918 0.0000 0.0000 0.0000
- 4ALA HA 30 -0.962 -0.729 1.824 0.0000 0.0000 0.0000
- 4ALA CB 31 -1.050 -0.735 2.018 0.0000 0.0000 0.0000
- 4ALA HB1 32 -1.153 -0.734 1.982 0.0000 0.0000 0.0000
- 4ALA HB2 33 -1.065 -0.695 2.118 0.0000 0.0000 0.0000
- 4ALA HB3 34 -1.028 -0.842 2.023 0.0000 0.0000 0.0000
- 4ALA C 35 -0.996 -0.532 1.890 0.0000 0.0000 0.0000
- 4ALA O 36 -1.011 -0.446 1.977 0.0000 0.0000 0.0000
- 5ALA N 37 -1.007 -0.505 1.760 0.0000 0.0000 0.0000
- 5ALA H 38 -0.963 -0.562 1.689 0.0000 0.0000 0.0000
- 5ALA CA 39 -1.081 -0.392 1.708 0.0000 0.0000 0.0000
- 5ALA HA 40 -1.049 -0.311 1.772 0.0000 0.0000 0.0000
- 5ALA CB 41 -1.061 -0.357 1.561 0.0000 0.0000 0.0000
- 5ALA HB1 42 -1.068 -0.448 1.502 0.0000 0.0000 0.0000
- 5ALA HB2 43 -0.960 -0.321 1.541 0.0000 0.0000 0.0000
- 5ALA HB3 44 -1.118 -0.271 1.526 0.0000 0.0000 0.0000
- 5ALA C 45 -1.231 -0.405 1.734 0.0000 0.0000 0.0000
- 5ALA O 46 -1.309 -0.441 1.646 0.0000 0.0000 0.0000
- 6ALA N 47 -1.271 -0.394 1.861 0.0000 0.0000 0.0000
- 6ALA H 48 -1.196 -0.374 1.925 0.0000 0.0000 0.0000
- 6ALA CA 49 -1.399 -0.433 1.917 0.0000 0.0000 0.0000
- 6ALA HA 50 -1.384 -0.409 2.022 0.0000 0.0000 0.0000
- 6ALA CB 51 -1.509 -0.340 1.865 0.0000 0.0000 0.0000
- 6ALA HB1 52 -1.534 -0.364 1.762 0.0000 0.0000 0.0000
- 6ALA HB2 53 -1.484 -0.234 1.868 0.0000 0.0000 0.0000
- 6ALA HB3 54 -1.599 -0.347 1.927 0.0000 0.0000 0.0000
- 6ALA C 55 -1.444 -0.577 1.903 0.0000 0.0000 0.0000
- 6ALA O 56 -1.450 -0.648 2.004 0.0000 0.0000 0.0000
- 7ALA N 57 -1.472 -0.619 1.779 0.0000 0.0000 0.0000
- 7ALA H 58 -1.463 -0.537 1.720 0.0000 0.0000 0.0000
- 7ALA CA 59 -1.507 -0.751 1.733 0.0000 0.0000 0.0000
- 7ALA HA 60 -1.615 -0.762 1.744 0.0000 0.0000 0.0000
- 7ALA CB 61 -1.476 -0.741 1.584 0.0000 0.0000 0.0000
- 7ALA HB1 62 -1.494 -0.825 1.517 0.0000 0.0000 0.0000
- 7ALA HB2 63 -1.375 -0.710 1.558 0.0000 0.0000 0.0000
- 7ALA HB3 64 -1.546 -0.665 1.550 0.0000 0.0000 0.0000
- 7ALA C 65 -1.450 -0.867 1.814 0.0000 0.0000 0.0000
- 7ALA O 66 -1.347 -0.920 1.774 0.0000 0.0000 0.0000
- 8ALA N 67 -1.518 -0.918 1.917 0.0000 0.0000 0.0000
- 8ALA H 68 -1.599 -0.864 1.943 0.0000 0.0000 0.0000
- 8ALA CA 69 -1.465 -0.998 2.026 0.0000 0.0000 0.0000
- 8ALA HA 70 -1.397 -0.928 2.073 0.0000 0.0000 0.0000
- 8ALA CB 71 -1.577 -1.034 2.123 0.0000 0.0000 0.0000
- 8ALA HB1 72 -1.602 -0.940 2.173 0.0000 0.0000 0.0000
- 8ALA HB2 73 -1.543 -1.094 2.207 0.0000 0.0000 0.0000
- 8ALA HB3 74 -1.659 -1.081 2.070 0.0000 0.0000 0.0000
- 8ALA C 75 -1.393 -1.125 1.982 0.0000 0.0000 0.0000
- 8ALA O 76 -1.460 -1.219 1.938 0.0000 0.0000 0.0000
- 9ALA N 77 -1.260 -1.129 1.988 0.0000 0.0000 0.0000
- 9ALA H 78 -1.210 -1.047 2.021 0.0000 0.0000 0.0000
- 9ALA CA 79 -1.170 -1.219 1.919 0.0000 0.0000 0.0000
- 9ALA HA 80 -1.073 -1.182 1.952 0.0000 0.0000 0.0000
- 9ALA CB 81 -1.182 -1.357 1.984 0.0000 0.0000 0.0000
- 9ALA HB1 82 -1.102 -1.421 1.945 0.0000 0.0000 0.0000
- 9ALA HB2 83 -1.281 -1.403 1.977 0.0000 0.0000 0.0000
- 9ALA HB3 84 -1.173 -1.361 2.092 0.0000 0.0000 0.0000
- 9ALA C 85 -1.171 -1.224 1.767 0.0000 0.0000 0.0000
- 9ALA O 86 -1.065 -1.224 1.704 0.0000 0.0000 0.0000
- 10ALA N 87 -1.285 -1.196 1.704 0.0000 0.0000 0.0000
- 10ALA H 88 -1.366 -1.201 1.764 0.0000 0.0000 0.0000
- 10ALA CA 89 -1.303 -1.179 1.561 0.0000 0.0000 0.0000
- 10ALA HA 90 -1.288 -1.275 1.511 0.0000 0.0000 0.0000
- 10ALA CB 91 -1.447 -1.135 1.536 0.0000 0.0000 0.0000
- 10ALA HB1 92 -1.447 -1.086 1.438 0.0000 0.0000 0.0000
- 10ALA HB2 93 -1.475 -1.067 1.616 0.0000 0.0000 0.0000
- 10ALA HB3 94 -1.520 -1.216 1.528 0.0000 0.0000 0.0000
- 10ALA C 95 -1.208 -1.089 1.483 0.0000 0.0000 0.0000
- 10ALA O 96 -1.179 -1.108 1.365 0.0000 0.0000 0.0000
- 11ALA N 97 -1.153 -0.986 1.548 0.0000 0.0000 0.0000
- 11ALA H 98 -1.171 -0.973 1.646 0.0000 0.0000 0.0000
- 11ALA CA 99 -1.054 -0.899 1.488 0.0000 0.0000 0.0000
- 11ALA HA 100 -1.004 -0.959 1.411 0.0000 0.0000 0.0000
- 11ALA CB 101 -1.121 -0.778 1.423 0.0000 0.0000 0.0000
- 11ALA HB1 102 -1.216 -0.812 1.383 0.0000 0.0000 0.0000
- 11ALA HB2 103 -1.061 -0.728 1.347 0.0000 0.0000 0.0000
- 11ALA HB3 104 -1.131 -0.699 1.496 0.0000 0.0000 0.0000
- 11ALA C 105 -0.939 -0.871 1.583 0.0000 0.0000 0.0000
- 11ALA O 106 -0.890 -0.758 1.581 0.0000 0.0000 0.0000
- 12ALA N 107 -0.894 -0.966 1.666 0.0000 0.0000 0.0000
- 12ALA H 108 -0.936 -1.056 1.650 0.0000 0.0000 0.0000
- 12ALA CA 109 -0.769 -0.970 1.738 0.0000 0.0000 0.0000
- 12ALA HA 110 -0.775 -0.894 1.816 0.0000 0.0000 0.0000
- 12ALA CB 111 -0.754 -1.103 1.812 0.0000 0.0000 0.0000
- 12ALA HB1 112 -0.851 -1.136 1.847 0.0000 0.0000 0.0000
- 12ALA HB2 113 -0.694 -1.076 1.899 0.0000 0.0000 0.0000
- 12ALA HB3 114 -0.701 -1.177 1.751 0.0000 0.0000 0.0000
- 12ALA C 115 -0.650 -0.940 1.648 0.0000 0.0000 0.0000
- 12ALA O 116 -0.608 -1.035 1.582 0.0000 0.0000 0.0000
- 13ALA N 117 -0.606 -0.814 1.647 0.0000 0.0000 0.0000
- 13ALA H 118 -0.653 -0.744 1.701 0.0000 0.0000 0.0000
- 13ALA CA 119 -0.519 -0.761 1.544 0.0000 0.0000 0.0000
- 13ALA HA 120 -0.494 -0.840 1.473 0.0000 0.0000 0.0000
- 13ALA CB 121 -0.587 -0.650 1.464 0.0000 0.0000 0.0000
- 13ALA HB1 122 -0.660 -0.699 1.400 0.0000 0.0000 0.0000
- 13ALA HB2 123 -0.518 -0.591 1.403 0.0000 0.0000 0.0000
- 13ALA HB3 124 -0.622 -0.589 1.548 0.0000 0.0000 0.0000
- 13ALA C 125 -0.383 -0.725 1.603 0.0000 0.0000 0.0000
- 13ALA O 126 -0.364 -0.748 1.722 0.0000 0.0000 0.0000
- 14NME N 127 -0.285 -0.688 1.519 0.0000 0.0000 0.0000
- 14NME H 128 -0.298 -0.673 1.420 0.0000 0.0000 0.0000
- 14NME CH3 129 -0.157 -0.652 1.575 0.0000 0.0000 0.0000
- 14NME HH31 130 -0.121 -0.717 1.655 0.0000 0.0000 0.0000
- 14NME HH32 131 -0.163 -0.554 1.623 0.0000 0.0000 0.0000
- 14NME HH33 132 -0.080 -0.648 1.497 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -0.264 -1.191 1.743
+ 1ACE CH3 2 -0.363 -1.148 1.752
+ 1ACE HH32 3 -0.355 -1.057 1.693
+ 1ACE HH33 4 -0.426 -1.225 1.706
+ 1ACE C 5 -0.420 -1.129 1.892
+ 1ACE O 6 -0.459 -1.224 1.960
+ 2ALA N 7 -0.423 -1.003 1.934
+ 2ALA H 8 -0.418 -0.933 1.861
+ 2ALA CA 9 -0.438 -0.947 2.067
+ 2ALA HA 10 -0.469 -1.016 2.145
+ 2ALA CB 11 -0.299 -0.894 2.101
+ 2ALA HB1 12 -0.265 -0.824 2.025
+ 2ALA HB2 13 -0.226 -0.975 2.096
+ 2ALA HB3 14 -0.297 -0.838 2.194
+ 2ALA C 15 -0.540 -0.834 2.075
+ 2ALA O 16 -0.647 -0.851 2.133
+ 3ALA N 17 -0.510 -0.720 2.013
+ 3ALA H 18 -0.421 -0.712 1.964
+ 3ALA CA 19 -0.598 -0.605 2.008
+ 3ALA HA 20 -0.642 -0.600 2.108
+ 3ALA CB 21 -0.526 -0.476 1.972
+ 3ALA HB1 22 -0.597 -0.393 1.972
+ 3ALA HB2 23 -0.489 -0.493 1.871
+ 3ALA HB3 24 -0.439 -0.456 2.033
+ 3ALA C 25 -0.712 -0.632 1.911
+ 3ALA O 26 -0.706 -0.594 1.794
+ 4ALA N 27 -0.819 -0.682 1.974
+ 4ALA H 28 -0.817 -0.723 2.067
+ 4ALA CA 29 -0.952 -0.675 1.918
+ 4ALA HA 30 -0.962 -0.729 1.824
+ 4ALA CB 31 -1.050 -0.735 2.018
+ 4ALA HB1 32 -1.153 -0.734 1.982
+ 4ALA HB2 33 -1.065 -0.695 2.118
+ 4ALA HB3 34 -1.028 -0.842 2.023
+ 4ALA C 35 -0.996 -0.532 1.890
+ 4ALA O 36 -1.011 -0.446 1.977
+ 5ALA N 37 -1.007 -0.505 1.760
+ 5ALA H 38 -0.963 -0.562 1.689
+ 5ALA CA 39 -1.081 -0.392 1.708
+ 5ALA HA 40 -1.049 -0.311 1.772
+ 5ALA CB 41 -1.061 -0.357 1.561
+ 5ALA HB1 42 -1.068 -0.448 1.502
+ 5ALA HB2 43 -0.960 -0.321 1.541
+ 5ALA HB3 44 -1.118 -0.271 1.526
+ 5ALA C 45 -1.231 -0.405 1.734
+ 5ALA O 46 -1.309 -0.441 1.646
+ 6ALA N 47 -1.271 -0.394 1.861
+ 6ALA H 48 -1.196 -0.374 1.925
+ 6ALA CA 49 -1.399 -0.433 1.917
+ 6ALA HA 50 -1.384 -0.409 2.022
+ 6ALA CB 51 -1.509 -0.340 1.865
+ 6ALA HB1 52 -1.534 -0.364 1.762
+ 6ALA HB2 53 -1.484 -0.234 1.868
+ 6ALA HB3 54 -1.599 -0.347 1.927
+ 6ALA C 55 -1.444 -0.577 1.903
+ 6ALA O 56 -1.450 -0.648 2.004
+ 7ALA N 57 -1.472 -0.619 1.779
+ 7ALA H 58 -1.463 -0.537 1.720
+ 7ALA CA 59 -1.507 -0.751 1.733
+ 7ALA HA 60 -1.615 -0.762 1.744
+ 7ALA CB 61 -1.476 -0.741 1.584
+ 7ALA HB1 62 -1.494 -0.825 1.517
+ 7ALA HB2 63 -1.375 -0.710 1.558
+ 7ALA HB3 64 -1.546 -0.665 1.550
+ 7ALA C 65 -1.450 -0.867 1.814
+ 7ALA O 66 -1.347 -0.920 1.774
+ 8ALA N 67 -1.518 -0.918 1.917
+ 8ALA H 68 -1.599 -0.864 1.943
+ 8ALA CA 69 -1.465 -0.998 2.026
+ 8ALA HA 70 -1.397 -0.928 2.073
+ 8ALA CB 71 -1.577 -1.034 2.123
+ 8ALA HB1 72 -1.602 -0.940 2.173
+ 8ALA HB2 73 -1.543 -1.094 2.207
+ 8ALA HB3 74 -1.659 -1.081 2.070
+ 8ALA C 75 -1.393 -1.125 1.982
+ 8ALA O 76 -1.460 -1.219 1.938
+ 9ALA N 77 -1.260 -1.129 1.988
+ 9ALA H 78 -1.210 -1.047 2.021
+ 9ALA CA 79 -1.170 -1.219 1.919
+ 9ALA HA 80 -1.073 -1.182 1.952
+ 9ALA CB 81 -1.182 -1.357 1.984
+ 9ALA HB1 82 -1.102 -1.421 1.945
+ 9ALA HB2 83 -1.281 -1.403 1.977
+ 9ALA HB3 84 -1.173 -1.361 2.092
+ 9ALA C 85 -1.171 -1.224 1.767
+ 9ALA O 86 -1.065 -1.224 1.704
+ 10ALA N 87 -1.285 -1.196 1.704
+ 10ALA H 88 -1.366 -1.201 1.764
+ 10ALA CA 89 -1.303 -1.179 1.561
+ 10ALA HA 90 -1.288 -1.275 1.511
+ 10ALA CB 91 -1.447 -1.135 1.536
+ 10ALA HB1 92 -1.447 -1.086 1.438
+ 10ALA HB2 93 -1.475 -1.067 1.616
+ 10ALA HB3 94 -1.520 -1.216 1.528
+ 10ALA C 95 -1.208 -1.089 1.483
+ 10ALA O 96 -1.179 -1.108 1.365
+ 11ALA N 97 -1.153 -0.986 1.548
+ 11ALA H 98 -1.171 -0.973 1.646
+ 11ALA CA 99 -1.054 -0.899 1.488
+ 11ALA HA 100 -1.004 -0.959 1.411
+ 11ALA CB 101 -1.121 -0.778 1.423
+ 11ALA HB1 102 -1.216 -0.812 1.383
+ 11ALA HB2 103 -1.061 -0.728 1.347
+ 11ALA HB3 104 -1.131 -0.699 1.496
+ 11ALA C 105 -0.939 -0.871 1.583
+ 11ALA O 106 -0.890 -0.758 1.581
+ 12ALA N 107 -0.894 -0.966 1.666
+ 12ALA H 108 -0.936 -1.056 1.650
+ 12ALA CA 109 -0.769 -0.970 1.738
+ 12ALA HA 110 -0.775 -0.894 1.816
+ 12ALA CB 111 -0.754 -1.103 1.812
+ 12ALA HB1 112 -0.851 -1.136 1.847
+ 12ALA HB2 113 -0.694 -1.076 1.899
+ 12ALA HB3 114 -0.701 -1.177 1.751
+ 12ALA C 115 -0.650 -0.940 1.648
+ 12ALA O 116 -0.608 -1.035 1.582
+ 13ALA N 117 -0.606 -0.814 1.647
+ 13ALA H 118 -0.653 -0.744 1.701
+ 13ALA CA 119 -0.519 -0.761 1.544
+ 13ALA HA 120 -0.494 -0.840 1.473
+ 13ALA CB 121 -0.587 -0.650 1.464
+ 13ALA HB1 122 -0.660 -0.699 1.400
+ 13ALA HB2 123 -0.518 -0.591 1.403
+ 13ALA HB3 124 -0.622 -0.589 1.548
+ 13ALA C 125 -0.383 -0.725 1.603
+ 13ALA O 126 -0.364 -0.748 1.722
+ 14NME N 127 -0.285 -0.688 1.519
+ 14NME H 128 -0.298 -0.673 1.420
+ 14NME CH3 129 -0.157 -0.652 1.575
+ 14NME HH31 130 -0.121 -0.717 1.655
+ 14NME HH32 131 -0.163 -0.554 1.623
+ 14NME HH33 132 -0.080 -0.648 1.497
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.450000
132
- 1ACE HH31 1 -0.627 -0.539 2.184 0.0000 0.0000 0.0000
- 1ACE CH3 2 -0.697 -0.622 2.183 0.0000 0.0000 0.0000
- 1ACE HH32 3 -0.703 -0.663 2.082 0.0000 0.0000 0.0000
- 1ACE HH33 4 -0.667 -0.704 2.248 0.0000 0.0000 0.0000
- 1ACE C 5 -0.839 -0.578 2.218 0.0000 0.0000 0.0000
- 1ACE O 6 -0.873 -0.463 2.192 0.0000 0.0000 0.0000
- 2ALA N 7 -0.917 -0.667 2.278 0.0000 0.0000 0.0000
- 2ALA H 8 -0.887 -0.763 2.283 0.0000 0.0000 0.0000
- 2ALA CA 9 -1.050 -0.633 2.327 0.0000 0.0000 0.0000
- 2ALA HA 10 -1.104 -0.587 2.244 0.0000 0.0000 0.0000
- 2ALA CB 11 -1.127 -0.757 2.368 0.0000 0.0000 0.0000
- 2ALA HB1 12 -1.087 -0.842 2.312 0.0000 0.0000 0.0000
- 2ALA HB2 13 -1.231 -0.746 2.336 0.0000 0.0000 0.0000
- 2ALA HB3 14 -1.120 -0.778 2.475 0.0000 0.0000 0.0000
- 2ALA C 15 -1.044 -0.528 2.438 0.0000 0.0000 0.0000
- 2ALA O 16 -1.132 -0.442 2.447 0.0000 0.0000 0.0000
- 3ALA N 17 -0.961 -0.540 2.541 0.0000 0.0000 0.0000
- 3ALA H 18 -0.911 -0.627 2.535 0.0000 0.0000 0.0000
- 3ALA CA 19 -0.953 -0.447 2.652 0.0000 0.0000 0.0000
- 3ALA HA 20 -1.049 -0.403 2.681 0.0000 0.0000 0.0000
- 3ALA CB 21 -0.908 -0.527 2.773 0.0000 0.0000 0.0000
- 3ALA HB1 22 -0.820 -0.589 2.755 0.0000 0.0000 0.0000
- 3ALA HB2 23 -0.992 -0.586 2.809 0.0000 0.0000 0.0000
- 3ALA HB3 24 -0.884 -0.462 2.857 0.0000 0.0000 0.0000
- 3ALA C 25 -0.865 -0.329 2.615 0.0000 0.0000 0.0000
- 3ALA O 26 -0.757 -0.304 2.668 0.0000 0.0000 0.0000
- 4ALA N 27 -0.910 -0.268 2.505 0.0000 0.0000 0.0000
- 4ALA H 28 -0.999 -0.300 2.469 0.0000 0.0000 0.0000
- 4ALA CA 29 -0.840 -0.168 2.427 0.0000 0.0000 0.0000
- 4ALA HA 30 -0.814 -0.084 2.493 0.0000 0.0000 0.0000
- 4ALA CB 31 -0.707 -0.222 2.375 0.0000 0.0000 0.0000
- 4ALA HB1 32 -0.728 -0.319 2.329 0.0000 0.0000 0.0000
- 4ALA HB2 33 -0.628 -0.238 2.450 0.0000 0.0000 0.0000
- 4ALA HB3 34 -0.662 -0.151 2.306 0.0000 0.0000 0.0000
- 4ALA C 35 -0.937 -0.113 2.324 0.0000 0.0000 0.0000
- 4ALA O 36 -0.993 -0.006 2.346 0.0000 0.0000 0.0000
- 5ALA N 37 -0.962 -0.189 2.216 0.0000 0.0000 0.0000
- 5ALA H 38 -0.930 -0.285 2.220 0.0000 0.0000 0.0000
- 5ALA CA 39 -1.035 -0.150 2.098 0.0000 0.0000 0.0000
- 5ALA HA 40 -1.102 -0.069 2.130 0.0000 0.0000 0.0000
- 5ALA CB 41 -0.929 -0.102 2.000 0.0000 0.0000 0.0000
- 5ALA HB1 42 -0.883 -0.189 1.953 0.0000 0.0000 0.0000
- 5ALA HB2 43 -0.862 -0.029 2.045 0.0000 0.0000 0.0000
- 5ALA HB3 44 -0.970 -0.050 1.913 0.0000 0.0000 0.0000
- 5ALA C 45 -1.134 -0.257 2.056 0.0000 0.0000 0.0000
- 5ALA O 46 -1.254 -0.235 2.074 0.0000 0.0000 0.0000
- 6ALA N 47 -1.089 -0.376 2.014 0.0000 0.0000 0.0000
- 6ALA H 48 -0.991 -0.396 2.002 0.0000 0.0000 0.0000
- 6ALA CA 49 -1.173 -0.487 1.976 0.0000 0.0000 0.0000
- 6ALA HA 50 -1.248 -0.512 2.052 0.0000 0.0000 0.0000
- 6ALA CB 51 -1.250 -0.449 1.850 0.0000 0.0000 0.0000
- 6ALA HB1 52 -1.304 -0.355 1.864 0.0000 0.0000 0.0000
- 6ALA HB2 53 -1.320 -0.525 1.815 0.0000 0.0000 0.0000
- 6ALA HB3 54 -1.178 -0.433 1.770 0.0000 0.0000 0.0000
- 6ALA C 55 -1.086 -0.606 1.937 0.0000 0.0000 0.0000
- 6ALA O 56 -0.966 -0.591 1.912 0.0000 0.0000 0.0000
- 7ALA N 57 -1.148 -0.724 1.938 0.0000 0.0000 0.0000
- 7ALA H 58 -1.247 -0.722 1.956 0.0000 0.0000 0.0000
- 7ALA CA 59 -1.090 -0.847 1.890 0.0000 0.0000 0.0000
- 7ALA HA 60 -0.989 -0.858 1.929 0.0000 0.0000 0.0000
- 7ALA CB 61 -1.172 -0.961 1.949 0.0000 0.0000 0.0000
- 7ALA HB1 62 -1.276 -0.944 1.920 0.0000 0.0000 0.0000
- 7ALA HB2 63 -1.171 -0.956 2.058 0.0000 0.0000 0.0000
- 7ALA HB3 64 -1.145 -1.063 1.924 0.0000 0.0000 0.0000
- 7ALA C 65 -1.083 -0.847 1.738 0.0000 0.0000 0.0000
- 7ALA O 66 -1.135 -0.940 1.677 0.0000 0.0000 0.0000
- 8ALA N 67 -1.010 -0.758 1.671 0.0000 0.0000 0.0000
- 8ALA H 68 -0.974 -0.684 1.730 0.0000 0.0000 0.0000
- 8ALA CA 69 -1.019 -0.731 1.529 0.0000 0.0000 0.0000
- 8ALA HA 70 -1.123 -0.705 1.505 0.0000 0.0000 0.0000
- 8ALA CB 71 -0.948 -0.600 1.496 0.0000 0.0000 0.0000
- 8ALA HB1 72 -0.842 -0.596 1.522 0.0000 0.0000 0.0000
- 8ALA HB2 73 -1.007 -0.528 1.554 0.0000 0.0000 0.0000
- 8ALA HB3 74 -0.962 -0.583 1.389 0.0000 0.0000 0.0000
- 8ALA C 75 -0.969 -0.841 1.437 0.0000 0.0000 0.0000
- 8ALA O 76 -1.044 -0.913 1.371 0.0000 0.0000 0.0000
- 9ALA N 77 -0.838 -0.863 1.430 0.0000 0.0000 0.0000
- 9ALA H 78 -0.764 -0.814 1.478 0.0000 0.0000 0.0000
- 9ALA CA 79 -0.778 -0.982 1.373 0.0000 0.0000 0.0000
- 9ALA HA 80 -0.796 -0.972 1.266 0.0000 0.0000 0.0000
- 9ALA CB 81 -0.627 -0.969 1.391 0.0000 0.0000 0.0000
- 9ALA HB1 82 -0.566 -1.052 1.356 0.0000 0.0000 0.0000
- 9ALA HB2 83 -0.601 -0.956 1.496 0.0000 0.0000 0.0000
- 9ALA HB3 84 -0.586 -0.887 1.331 0.0000 0.0000 0.0000
- 9ALA C 85 -0.836 -1.113 1.424 0.0000 0.0000 0.0000
- 9ALA O 86 -0.850 -1.206 1.345 0.0000 0.0000 0.0000
- 10ALA N 87 -0.868 -1.127 1.553 0.0000 0.0000 0.0000
- 10ALA H 88 -0.848 -1.054 1.620 0.0000 0.0000 0.0000
- 10ALA CA 89 -0.911 -1.254 1.608 0.0000 0.0000 0.0000
- 10ALA HA 90 -0.832 -1.327 1.593 0.0000 0.0000 0.0000
- 10ALA CB 91 -0.923 -1.243 1.760 0.0000 0.0000 0.0000
- 10ALA HB1 92 -0.966 -1.335 1.800 0.0000 0.0000 0.0000
- 10ALA HB2 93 -1.004 -1.174 1.781 0.0000 0.0000 0.0000
- 10ALA HB3 94 -0.830 -1.201 1.798 0.0000 0.0000 0.0000
- 10ALA C 95 -1.043 -1.306 1.551 0.0000 0.0000 0.0000
- 10ALA O 96 -1.060 -1.417 1.503 0.0000 0.0000 0.0000
- 11ALA N 97 -1.141 -1.216 1.543 0.0000 0.0000 0.0000
- 11ALA H 98 -1.133 -1.128 1.591 0.0000 0.0000 0.0000
- 11ALA CA 99 -1.274 -1.240 1.490 0.0000 0.0000 0.0000
- 11ALA HA 100 -1.314 -1.331 1.535 0.0000 0.0000 0.0000
- 11ALA CB 101 -1.360 -1.124 1.538 0.0000 0.0000 0.0000
- 11ALA HB1 102 -1.343 -1.111 1.645 0.0000 0.0000 0.0000
- 11ALA HB2 103 -1.462 -1.157 1.519 0.0000 0.0000 0.0000
- 11ALA HB3 104 -1.348 -1.037 1.473 0.0000 0.0000 0.0000
- 11ALA C 105 -1.275 -1.250 1.338 0.0000 0.0000 0.0000
- 11ALA O 106 -1.351 -1.326 1.280 0.0000 0.0000 0.0000
- 12ALA N 107 -1.192 -1.171 1.269 0.0000 0.0000 0.0000
- 12ALA H 108 -1.124 -1.108 1.308 0.0000 0.0000 0.0000
- 12ALA CA 109 -1.151 -1.198 1.133 0.0000 0.0000 0.0000
- 12ALA HA 110 -1.237 -1.176 1.069 0.0000 0.0000 0.0000
- 12ALA CB 111 -1.042 -1.102 1.088 0.0000 0.0000 0.0000
- 12ALA HB1 112 -1.034 -1.111 0.980 0.0000 0.0000 0.0000
- 12ALA HB2 113 -0.944 -1.136 1.123 0.0000 0.0000 0.0000
- 12ALA HB3 114 -1.072 -1.001 1.115 0.0000 0.0000 0.0000
- 12ALA C 115 -1.089 -1.333 1.098 0.0000 0.0000 0.0000
- 12ALA O 116 -1.135 -1.398 1.004 0.0000 0.0000 0.0000
- 13ALA N 117 -0.990 -1.387 1.168 0.0000 0.0000 0.0000
- 13ALA H 118 -0.941 -1.320 1.226 0.0000 0.0000 0.0000
- 13ALA CA 119 -0.942 -1.522 1.146 0.0000 0.0000 0.0000
- 13ALA HA 120 -0.918 -1.533 1.040 0.0000 0.0000 0.0000
- 13ALA CB 121 -0.812 -1.532 1.225 0.0000 0.0000 0.0000
- 13ALA HB1 122 -0.740 -1.455 1.198 0.0000 0.0000 0.0000
- 13ALA HB2 123 -0.764 -1.629 1.208 0.0000 0.0000 0.0000
- 13ALA HB3 124 -0.826 -1.516 1.332 0.0000 0.0000 0.0000
- 13ALA C 125 -1.047 -1.624 1.186 0.0000 0.0000 0.0000
- 13ALA O 126 -1.077 -1.720 1.116 0.0000 0.0000 0.0000
- 14NME N 127 -1.089 -1.616 1.313 0.0000 0.0000 0.0000
- 14NME H 128 -1.057 -1.534 1.363 0.0000 0.0000 0.0000
- 14NME CH3 129 -1.157 -1.721 1.385 0.0000 0.0000 0.0000
- 14NME HH31 130 -1.195 -1.794 1.313 0.0000 0.0000 0.0000
- 14NME HH32 131 -1.245 -1.672 1.427 0.0000 0.0000 0.0000
- 14NME HH33 132 -1.087 -1.766 1.455 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -0.627 -0.539 2.184
+ 1ACE CH3 2 -0.697 -0.622 2.183
+ 1ACE HH32 3 -0.703 -0.663 2.082
+ 1ACE HH33 4 -0.667 -0.704 2.248
+ 1ACE C 5 -0.839 -0.578 2.218
+ 1ACE O 6 -0.873 -0.463 2.192
+ 2ALA N 7 -0.917 -0.667 2.278
+ 2ALA H 8 -0.887 -0.763 2.283
+ 2ALA CA 9 -1.050 -0.633 2.327
+ 2ALA HA 10 -1.104 -0.587 2.244
+ 2ALA CB 11 -1.127 -0.757 2.368
+ 2ALA HB1 12 -1.087 -0.842 2.312
+ 2ALA HB2 13 -1.231 -0.746 2.336
+ 2ALA HB3 14 -1.120 -0.778 2.475
+ 2ALA C 15 -1.044 -0.528 2.438
+ 2ALA O 16 -1.132 -0.442 2.447
+ 3ALA N 17 -0.961 -0.540 2.541
+ 3ALA H 18 -0.911 -0.627 2.535
+ 3ALA CA 19 -0.953 -0.447 2.652
+ 3ALA HA 20 -1.049 -0.403 2.681
+ 3ALA CB 21 -0.908 -0.527 2.773
+ 3ALA HB1 22 -0.820 -0.589 2.755
+ 3ALA HB2 23 -0.992 -0.586 2.809
+ 3ALA HB3 24 -0.884 -0.462 2.857
+ 3ALA C 25 -0.865 -0.329 2.615
+ 3ALA O 26 -0.757 -0.304 2.668
+ 4ALA N 27 -0.910 -0.268 2.505
+ 4ALA H 28 -0.999 -0.300 2.469
+ 4ALA CA 29 -0.840 -0.168 2.427
+ 4ALA HA 30 -0.814 -0.084 2.493
+ 4ALA CB 31 -0.707 -0.222 2.375
+ 4ALA HB1 32 -0.728 -0.319 2.329
+ 4ALA HB2 33 -0.628 -0.238 2.450
+ 4ALA HB3 34 -0.662 -0.151 2.306
+ 4ALA C 35 -0.937 -0.113 2.324
+ 4ALA O 36 -0.993 -0.006 2.346
+ 5ALA N 37 -0.962 -0.189 2.216
+ 5ALA H 38 -0.930 -0.285 2.220
+ 5ALA CA 39 -1.035 -0.150 2.098
+ 5ALA HA 40 -1.102 -0.069 2.130
+ 5ALA CB 41 -0.929 -0.102 2.000
+ 5ALA HB1 42 -0.883 -0.189 1.953
+ 5ALA HB2 43 -0.862 -0.029 2.045
+ 5ALA HB3 44 -0.970 -0.050 1.913
+ 5ALA C 45 -1.134 -0.257 2.056
+ 5ALA O 46 -1.254 -0.235 2.074
+ 6ALA N 47 -1.089 -0.376 2.014
+ 6ALA H 48 -0.991 -0.396 2.002
+ 6ALA CA 49 -1.173 -0.487 1.976
+ 6ALA HA 50 -1.248 -0.512 2.052
+ 6ALA CB 51 -1.250 -0.449 1.850
+ 6ALA HB1 52 -1.304 -0.355 1.864
+ 6ALA HB2 53 -1.320 -0.525 1.815
+ 6ALA HB3 54 -1.178 -0.433 1.770
+ 6ALA C 55 -1.086 -0.606 1.937
+ 6ALA O 56 -0.966 -0.591 1.912
+ 7ALA N 57 -1.148 -0.724 1.938
+ 7ALA H 58 -1.247 -0.722 1.956
+ 7ALA CA 59 -1.090 -0.847 1.890
+ 7ALA HA 60 -0.989 -0.858 1.929
+ 7ALA CB 61 -1.172 -0.961 1.949
+ 7ALA HB1 62 -1.276 -0.944 1.920
+ 7ALA HB2 63 -1.171 -0.956 2.058
+ 7ALA HB3 64 -1.145 -1.063 1.924
+ 7ALA C 65 -1.083 -0.847 1.738
+ 7ALA O 66 -1.135 -0.940 1.677
+ 8ALA N 67 -1.010 -0.758 1.671
+ 8ALA H 68 -0.974 -0.684 1.730
+ 8ALA CA 69 -1.019 -0.731 1.529
+ 8ALA HA 70 -1.123 -0.705 1.505
+ 8ALA CB 71 -0.948 -0.600 1.496
+ 8ALA HB1 72 -0.842 -0.596 1.522
+ 8ALA HB2 73 -1.007 -0.528 1.554
+ 8ALA HB3 74 -0.962 -0.583 1.389
+ 8ALA C 75 -0.969 -0.841 1.437
+ 8ALA O 76 -1.044 -0.913 1.371
+ 9ALA N 77 -0.838 -0.863 1.430
+ 9ALA H 78 -0.764 -0.814 1.478
+ 9ALA CA 79 -0.778 -0.982 1.373
+ 9ALA HA 80 -0.796 -0.972 1.266
+ 9ALA CB 81 -0.627 -0.969 1.391
+ 9ALA HB1 82 -0.566 -1.052 1.356
+ 9ALA HB2 83 -0.601 -0.956 1.496
+ 9ALA HB3 84 -0.586 -0.887 1.331
+ 9ALA C 85 -0.836 -1.113 1.424
+ 9ALA O 86 -0.850 -1.206 1.345
+ 10ALA N 87 -0.868 -1.127 1.553
+ 10ALA H 88 -0.848 -1.054 1.620
+ 10ALA CA 89 -0.911 -1.254 1.608
+ 10ALA HA 90 -0.832 -1.327 1.593
+ 10ALA CB 91 -0.923 -1.243 1.760
+ 10ALA HB1 92 -0.966 -1.335 1.800
+ 10ALA HB2 93 -1.004 -1.174 1.781
+ 10ALA HB3 94 -0.830 -1.201 1.798
+ 10ALA C 95 -1.043 -1.306 1.551
+ 10ALA O 96 -1.060 -1.417 1.503
+ 11ALA N 97 -1.141 -1.216 1.543
+ 11ALA H 98 -1.133 -1.128 1.591
+ 11ALA CA 99 -1.274 -1.240 1.490
+ 11ALA HA 100 -1.314 -1.331 1.535
+ 11ALA CB 101 -1.360 -1.124 1.538
+ 11ALA HB1 102 -1.343 -1.111 1.645
+ 11ALA HB2 103 -1.462 -1.157 1.519
+ 11ALA HB3 104 -1.348 -1.037 1.473
+ 11ALA C 105 -1.275 -1.250 1.338
+ 11ALA O 106 -1.351 -1.326 1.280
+ 12ALA N 107 -1.192 -1.171 1.269
+ 12ALA H 108 -1.124 -1.108 1.308
+ 12ALA CA 109 -1.151 -1.198 1.133
+ 12ALA HA 110 -1.237 -1.176 1.069
+ 12ALA CB 111 -1.042 -1.102 1.088
+ 12ALA HB1 112 -1.034 -1.111 0.980
+ 12ALA HB2 113 -0.944 -1.136 1.123
+ 12ALA HB3 114 -1.072 -1.001 1.115
+ 12ALA C 115 -1.089 -1.333 1.098
+ 12ALA O 116 -1.135 -1.398 1.004
+ 13ALA N 117 -0.990 -1.387 1.168
+ 13ALA H 118 -0.941 -1.320 1.226
+ 13ALA CA 119 -0.942 -1.522 1.146
+ 13ALA HA 120 -0.918 -1.533 1.040
+ 13ALA CB 121 -0.812 -1.532 1.225
+ 13ALA HB1 122 -0.740 -1.455 1.198
+ 13ALA HB2 123 -0.764 -1.629 1.208
+ 13ALA HB3 124 -0.826 -1.516 1.332
+ 13ALA C 125 -1.047 -1.624 1.186
+ 13ALA O 126 -1.077 -1.720 1.116
+ 14NME N 127 -1.089 -1.616 1.313
+ 14NME H 128 -1.057 -1.534 1.363
+ 14NME CH3 129 -1.157 -1.721 1.385
+ 14NME HH31 130 -1.195 -1.794 1.313
+ 14NME HH32 131 -1.245 -1.672 1.427
+ 14NME HH33 132 -1.087 -1.766 1.455
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.500000
132
- 1ACE HH31 1 -0.290 -0.494 2.251 0.0000 0.0000 0.0000
- 1ACE CH3 2 -0.355 -0.422 2.301 0.0000 0.0000 0.0000
- 1ACE HH32 3 -0.313 -0.370 2.388 0.0000 0.0000 0.0000
- 1ACE HH33 4 -0.385 -0.347 2.228 0.0000 0.0000 0.0000
- 1ACE C 5 -0.469 -0.506 2.357 0.0000 0.0000 0.0000
- 1ACE O 6 -0.440 -0.613 2.410 0.0000 0.0000 0.0000
- 2ALA N 7 -0.590 -0.450 2.362 0.0000 0.0000 0.0000
- 2ALA H 8 -0.606 -0.366 2.308 0.0000 0.0000 0.0000
- 2ALA CA 9 -0.702 -0.497 2.441 0.0000 0.0000 0.0000
- 2ALA HA 10 -0.698 -0.606 2.436 0.0000 0.0000 0.0000
- 2ALA CB 11 -0.676 -0.464 2.587 0.0000 0.0000 0.0000
- 2ALA HB1 12 -0.574 -0.491 2.615 0.0000 0.0000 0.0000
- 2ALA HB2 13 -0.735 -0.534 2.646 0.0000 0.0000 0.0000
- 2ALA HB3 14 -0.691 -0.359 2.611 0.0000 0.0000 0.0000
- 2ALA C 15 -0.836 -0.444 2.391 0.0000 0.0000 0.0000
- 2ALA O 16 -0.848 -0.410 2.274 0.0000 0.0000 0.0000
- 3ALA N 17 -0.932 -0.437 2.484 0.0000 0.0000 0.0000
- 3ALA H 18 -0.917 -0.470 2.578 0.0000 0.0000 0.0000
- 3ALA CA 19 -1.065 -0.382 2.469 0.0000 0.0000 0.0000
- 3ALA HA 20 -1.122 -0.432 2.548 0.0000 0.0000 0.0000
- 3ALA CB 21 -1.060 -0.232 2.494 0.0000 0.0000 0.0000
- 3ALA HB1 22 -1.162 -0.196 2.482 0.0000 0.0000 0.0000
- 3ALA HB2 23 -0.993 -0.182 2.424 0.0000 0.0000 0.0000
- 3ALA HB3 24 -1.022 -0.211 2.594 0.0000 0.0000 0.0000
- 3ALA C 25 -1.127 -0.433 2.340 0.0000 0.0000 0.0000
- 3ALA O 26 -1.146 -0.552 2.312 0.0000 0.0000 0.0000
- 4ALA N 27 -1.158 -0.338 2.252 0.0000 0.0000 0.0000
- 4ALA H 28 -1.147 -0.244 2.286 0.0000 0.0000 0.0000
- 4ALA CA 29 -1.211 -0.361 2.119 0.0000 0.0000 0.0000
- 4ALA HA 30 -1.300 -0.423 2.134 0.0000 0.0000 0.0000
- 4ALA CB 31 -1.235 -0.222 2.061 0.0000 0.0000 0.0000
- 4ALA HB1 32 -1.280 -0.244 1.964 0.0000 0.0000 0.0000
- 4ALA HB2 33 -1.145 -0.163 2.047 0.0000 0.0000 0.0000
- 4ALA HB3 34 -1.296 -0.158 2.125 0.0000 0.0000 0.0000
- 4ALA C 35 -1.110 -0.423 2.024 0.0000 0.0000 0.0000
- 4ALA O 36 -1.145 -0.498 1.934 0.0000 0.0000 0.0000
- 5ALA N 37 -0.983 -0.382 2.032 0.0000 0.0000 0.0000
- 5ALA H 38 -0.950 -0.331 2.113 0.0000 0.0000 0.0000
- 5ALA CA 39 -0.882 -0.420 1.936 0.0000 0.0000 0.0000
- 5ALA HA 40 -0.920 -0.386 1.839 0.0000 0.0000 0.0000
- 5ALA CB 41 -0.754 -0.337 1.947 0.0000 0.0000 0.0000
- 5ALA HB1 42 -0.683 -0.363 1.870 0.0000 0.0000 0.0000
- 5ALA HB2 43 -0.709 -0.347 2.046 0.0000 0.0000 0.0000
- 5ALA HB3 44 -0.769 -0.233 1.920 0.0000 0.0000 0.0000
- 5ALA C 45 -0.864 -0.571 1.932 0.0000 0.0000 0.0000
- 5ALA O 46 -0.876 -0.627 1.823 0.0000 0.0000 0.0000
- 6ALA N 47 -0.850 -0.633 2.049 0.0000 0.0000 0.0000
- 6ALA H 48 -0.846 -0.575 2.131 0.0000 0.0000 0.0000
- 6ALA CA 49 -0.850 -0.776 2.075 0.0000 0.0000 0.0000
- 6ALA HA 50 -0.760 -0.826 2.042 0.0000 0.0000 0.0000
- 6ALA CB 51 -0.850 -0.802 2.226 0.0000 0.0000 0.0000
- 6ALA HB1 52 -0.842 -0.910 2.228 0.0000 0.0000 0.0000
- 6ALA HB2 53 -0.941 -0.767 2.275 0.0000 0.0000 0.0000
- 6ALA HB3 54 -0.764 -0.754 2.273 0.0000 0.0000 0.0000
- 6ALA C 55 -0.964 -0.843 2.000 0.0000 0.0000 0.0000
- 6ALA O 56 -0.944 -0.930 1.916 0.0000 0.0000 0.0000
- 7ALA N 57 -1.088 -0.802 2.030 0.0000 0.0000 0.0000
- 7ALA H 58 -1.093 -0.725 2.095 0.0000 0.0000 0.0000
- 7ALA CA 59 -1.213 -0.849 1.974 0.0000 0.0000 0.0000
- 7ALA HA 60 -1.210 -0.954 2.001 0.0000 0.0000 0.0000
- 7ALA CB 61 -1.329 -0.776 2.043 0.0000 0.0000 0.0000
- 7ALA HB1 62 -1.355 -0.817 2.140 0.0000 0.0000 0.0000
- 7ALA HB2 63 -1.418 -0.796 1.984 0.0000 0.0000 0.0000
- 7ALA HB3 64 -1.313 -0.668 2.048 0.0000 0.0000 0.0000
- 7ALA C 65 -1.218 -0.840 1.822 0.0000 0.0000 0.0000
- 7ALA O 66 -1.255 -0.938 1.758 0.0000 0.0000 0.0000
- 8ALA N 67 -1.183 -0.726 1.763 0.0000 0.0000 0.0000
- 8ALA H 68 -1.163 -0.647 1.823 0.0000 0.0000 0.0000
- 8ALA CA 69 -1.158 -0.714 1.621 0.0000 0.0000 0.0000
- 8ALA HA 70 -1.252 -0.747 1.577 0.0000 0.0000 0.0000
- 8ALA CB 71 -1.119 -0.568 1.598 0.0000 0.0000 0.0000
- 8ALA HB1 72 -1.122 -0.549 1.490 0.0000 0.0000 0.0000
- 8ALA HB2 73 -1.020 -0.546 1.639 0.0000 0.0000 0.0000
- 8ALA HB3 74 -1.188 -0.500 1.647 0.0000 0.0000 0.0000
- 8ALA C 75 -1.052 -0.813 1.574 0.0000 0.0000 0.0000
- 8ALA O 76 -1.070 -0.882 1.474 0.0000 0.0000 0.0000
- 9ALA N 77 -0.942 -0.827 1.648 0.0000 0.0000 0.0000
- 9ALA H 78 -0.933 -0.764 1.727 0.0000 0.0000 0.0000
- 9ALA CA 79 -0.834 -0.918 1.615 0.0000 0.0000 0.0000
- 9ALA HA 80 -0.797 -0.897 1.515 0.0000 0.0000 0.0000
- 9ALA CB 81 -0.709 -0.901 1.701 0.0000 0.0000 0.0000
- 9ALA HB1 82 -0.627 -0.946 1.645 0.0000 0.0000 0.0000
- 9ALA HB2 83 -0.727 -0.940 1.801 0.0000 0.0000 0.0000
- 9ALA HB3 84 -0.688 -0.795 1.712 0.0000 0.0000 0.0000
- 9ALA C 85 -0.886 -1.060 1.609 0.0000 0.0000 0.0000
- 9ALA O 86 -0.863 -1.131 1.511 0.0000 0.0000 0.0000
- 10ALA N 87 -0.961 -1.104 1.711 0.0000 0.0000 0.0000
- 10ALA H 88 -0.973 -1.050 1.796 0.0000 0.0000 0.0000
- 10ALA CA 89 -1.024 -1.234 1.704 0.0000 0.0000 0.0000
- 10ALA HA 90 -0.947 -1.309 1.687 0.0000 0.0000 0.0000
- 10ALA CB 91 -1.087 -1.278 1.836 0.0000 0.0000 0.0000
- 10ALA HB1 92 -1.013 -1.289 1.916 0.0000 0.0000 0.0000
- 10ALA HB2 93 -1.133 -1.376 1.830 0.0000 0.0000 0.0000
- 10ALA HB3 94 -1.168 -1.207 1.854 0.0000 0.0000 0.0000
- 10ALA C 95 -1.125 -1.242 1.590 0.0000 0.0000 0.0000
- 10ALA O 96 -1.131 -1.338 1.514 0.0000 0.0000 0.0000
- 11ALA N 97 -1.208 -1.140 1.564 0.0000 0.0000 0.0000
- 11ALA H 98 -1.203 -1.058 1.622 0.0000 0.0000 0.0000
- 11ALA CA 99 -1.324 -1.157 1.479 0.0000 0.0000 0.0000
- 11ALA HA 100 -1.383 -1.244 1.509 0.0000 0.0000 0.0000
- 11ALA CB 101 -1.415 -1.036 1.496 0.0000 0.0000 0.0000
- 11ALA HB1 102 -1.467 -1.042 1.592 0.0000 0.0000 0.0000
- 11ALA HB2 103 -1.496 -1.050 1.425 0.0000 0.0000 0.0000
- 11ALA HB3 104 -1.367 -0.938 1.490 0.0000 0.0000 0.0000
- 11ALA C 105 -1.286 -1.171 1.333 0.0000 0.0000 0.0000
- 11ALA O 106 -1.326 -1.259 1.257 0.0000 0.0000 0.0000
- 12ALA N 107 -1.199 -1.081 1.286 0.0000 0.0000 0.0000
- 12ALA H 108 -1.149 -1.022 1.351 0.0000 0.0000 0.0000
- 12ALA CA 109 -1.153 -1.065 1.150 0.0000 0.0000 0.0000
- 12ALA HA 110 -1.233 -1.086 1.079 0.0000 0.0000 0.0000
- 12ALA CB 111 -1.104 -0.923 1.125 0.0000 0.0000 0.0000
- 12ALA HB1 112 -1.047 -0.921 1.032 0.0000 0.0000 0.0000
- 12ALA HB2 113 -1.038 -0.877 1.198 0.0000 0.0000 0.0000
- 12ALA HB3 114 -1.187 -0.853 1.109 0.0000 0.0000 0.0000
- 12ALA C 115 -1.040 -1.161 1.113 0.0000 0.0000 0.0000
- 12ALA O 116 -1.029 -1.196 0.996 0.0000 0.0000 0.0000
- 13ALA N 117 -0.956 -1.194 1.212 0.0000 0.0000 0.0000
- 13ALA H 118 -0.980 -1.150 1.300 0.0000 0.0000 0.0000
- 13ALA CA 119 -0.841 -1.280 1.191 0.0000 0.0000 0.0000
- 13ALA HA 120 -0.843 -1.324 1.091 0.0000 0.0000 0.0000
- 13ALA CB 121 -0.718 -1.192 1.206 0.0000 0.0000 0.0000
- 13ALA HB1 122 -0.635 -1.263 1.215 0.0000 0.0000 0.0000
- 13ALA HB2 123 -0.722 -1.147 1.305 0.0000 0.0000 0.0000
- 13ALA HB3 124 -0.686 -1.121 1.129 0.0000 0.0000 0.0000
- 13ALA C 125 -0.844 -1.407 1.275 0.0000 0.0000 0.0000
- 13ALA O 126 -0.860 -1.513 1.217 0.0000 0.0000 0.0000
- 14NME N 127 -0.829 -1.400 1.408 0.0000 0.0000 0.0000
- 14NME H 128 -0.832 -1.305 1.443 0.0000 0.0000 0.0000
- 14NME CH3 129 -0.834 -1.514 1.497 0.0000 0.0000 0.0000
- 14NME HH31 130 -0.938 -1.534 1.525 0.0000 0.0000 0.0000
- 14NME HH32 131 -0.772 -1.496 1.584 0.0000 0.0000 0.0000
- 14NME HH33 132 -0.806 -1.608 1.448 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -0.290 -0.494 2.251
+ 1ACE CH3 2 -0.355 -0.422 2.301
+ 1ACE HH32 3 -0.313 -0.370 2.388
+ 1ACE HH33 4 -0.385 -0.347 2.228
+ 1ACE C 5 -0.469 -0.506 2.357
+ 1ACE O 6 -0.440 -0.613 2.410
+ 2ALA N 7 -0.590 -0.450 2.362
+ 2ALA H 8 -0.606 -0.366 2.308
+ 2ALA CA 9 -0.702 -0.497 2.441
+ 2ALA HA 10 -0.698 -0.606 2.436
+ 2ALA CB 11 -0.676 -0.464 2.587
+ 2ALA HB1 12 -0.574 -0.491 2.615
+ 2ALA HB2 13 -0.735 -0.534 2.646
+ 2ALA HB3 14 -0.691 -0.359 2.611
+ 2ALA C 15 -0.836 -0.444 2.391
+ 2ALA O 16 -0.848 -0.410 2.274
+ 3ALA N 17 -0.932 -0.437 2.484
+ 3ALA H 18 -0.917 -0.470 2.578
+ 3ALA CA 19 -1.065 -0.382 2.469
+ 3ALA HA 20 -1.122 -0.432 2.548
+ 3ALA CB 21 -1.060 -0.232 2.494
+ 3ALA HB1 22 -1.162 -0.196 2.482
+ 3ALA HB2 23 -0.993 -0.182 2.424
+ 3ALA HB3 24 -1.022 -0.211 2.594
+ 3ALA C 25 -1.127 -0.433 2.340
+ 3ALA O 26 -1.146 -0.552 2.312
+ 4ALA N 27 -1.158 -0.338 2.252
+ 4ALA H 28 -1.147 -0.244 2.286
+ 4ALA CA 29 -1.211 -0.361 2.119
+ 4ALA HA 30 -1.300 -0.423 2.134
+ 4ALA CB 31 -1.235 -0.222 2.061
+ 4ALA HB1 32 -1.280 -0.244 1.964
+ 4ALA HB2 33 -1.145 -0.163 2.047
+ 4ALA HB3 34 -1.296 -0.158 2.125
+ 4ALA C 35 -1.110 -0.423 2.024
+ 4ALA O 36 -1.145 -0.498 1.934
+ 5ALA N 37 -0.983 -0.382 2.032
+ 5ALA H 38 -0.950 -0.331 2.113
+ 5ALA CA 39 -0.882 -0.420 1.936
+ 5ALA HA 40 -0.920 -0.386 1.839
+ 5ALA CB 41 -0.754 -0.337 1.947
+ 5ALA HB1 42 -0.683 -0.363 1.870
+ 5ALA HB2 43 -0.709 -0.347 2.046
+ 5ALA HB3 44 -0.769 -0.233 1.920
+ 5ALA C 45 -0.864 -0.571 1.932
+ 5ALA O 46 -0.876 -0.627 1.823
+ 6ALA N 47 -0.850 -0.633 2.049
+ 6ALA H 48 -0.846 -0.575 2.131
+ 6ALA CA 49 -0.850 -0.776 2.075
+ 6ALA HA 50 -0.760 -0.826 2.042
+ 6ALA CB 51 -0.850 -0.802 2.226
+ 6ALA HB1 52 -0.842 -0.910 2.228
+ 6ALA HB2 53 -0.941 -0.767 2.275
+ 6ALA HB3 54 -0.764 -0.754 2.273
+ 6ALA C 55 -0.964 -0.843 2.000
+ 6ALA O 56 -0.944 -0.930 1.916
+ 7ALA N 57 -1.088 -0.802 2.030
+ 7ALA H 58 -1.093 -0.725 2.095
+ 7ALA CA 59 -1.213 -0.849 1.974
+ 7ALA HA 60 -1.210 -0.954 2.001
+ 7ALA CB 61 -1.329 -0.776 2.043
+ 7ALA HB1 62 -1.355 -0.817 2.140
+ 7ALA HB2 63 -1.418 -0.796 1.984
+ 7ALA HB3 64 -1.313 -0.668 2.048
+ 7ALA C 65 -1.218 -0.840 1.822
+ 7ALA O 66 -1.255 -0.938 1.758
+ 8ALA N 67 -1.183 -0.726 1.763
+ 8ALA H 68 -1.163 -0.647 1.823
+ 8ALA CA 69 -1.158 -0.714 1.621
+ 8ALA HA 70 -1.252 -0.747 1.577
+ 8ALA CB 71 -1.119 -0.568 1.598
+ 8ALA HB1 72 -1.122 -0.549 1.490
+ 8ALA HB2 73 -1.020 -0.546 1.639
+ 8ALA HB3 74 -1.188 -0.500 1.647
+ 8ALA C 75 -1.052 -0.813 1.574
+ 8ALA O 76 -1.070 -0.882 1.474
+ 9ALA N 77 -0.942 -0.827 1.648
+ 9ALA H 78 -0.933 -0.764 1.727
+ 9ALA CA 79 -0.834 -0.918 1.615
+ 9ALA HA 80 -0.797 -0.897 1.515
+ 9ALA CB 81 -0.709 -0.901 1.701
+ 9ALA HB1 82 -0.627 -0.946 1.645
+ 9ALA HB2 83 -0.727 -0.940 1.801
+ 9ALA HB3 84 -0.688 -0.795 1.712
+ 9ALA C 85 -0.886 -1.060 1.609
+ 9ALA O 86 -0.863 -1.131 1.511
+ 10ALA N 87 -0.961 -1.104 1.711
+ 10ALA H 88 -0.973 -1.050 1.796
+ 10ALA CA 89 -1.024 -1.234 1.704
+ 10ALA HA 90 -0.947 -1.309 1.687
+ 10ALA CB 91 -1.087 -1.278 1.836
+ 10ALA HB1 92 -1.013 -1.289 1.916
+ 10ALA HB2 93 -1.133 -1.376 1.830
+ 10ALA HB3 94 -1.168 -1.207 1.854
+ 10ALA C 95 -1.125 -1.242 1.590
+ 10ALA O 96 -1.131 -1.338 1.514
+ 11ALA N 97 -1.208 -1.140 1.564
+ 11ALA H 98 -1.203 -1.058 1.622
+ 11ALA CA 99 -1.324 -1.157 1.479
+ 11ALA HA 100 -1.383 -1.244 1.509
+ 11ALA CB 101 -1.415 -1.036 1.496
+ 11ALA HB1 102 -1.467 -1.042 1.592
+ 11ALA HB2 103 -1.496 -1.050 1.425
+ 11ALA HB3 104 -1.367 -0.938 1.490
+ 11ALA C 105 -1.286 -1.171 1.333
+ 11ALA O 106 -1.326 -1.259 1.257
+ 12ALA N 107 -1.199 -1.081 1.286
+ 12ALA H 108 -1.149 -1.022 1.351
+ 12ALA CA 109 -1.153 -1.065 1.150
+ 12ALA HA 110 -1.233 -1.086 1.079
+ 12ALA CB 111 -1.104 -0.923 1.125
+ 12ALA HB1 112 -1.047 -0.921 1.032
+ 12ALA HB2 113 -1.038 -0.877 1.198
+ 12ALA HB3 114 -1.187 -0.853 1.109
+ 12ALA C 115 -1.040 -1.161 1.113
+ 12ALA O 116 -1.029 -1.196 0.996
+ 13ALA N 117 -0.956 -1.194 1.212
+ 13ALA H 118 -0.980 -1.150 1.300
+ 13ALA CA 119 -0.841 -1.280 1.191
+ 13ALA HA 120 -0.843 -1.324 1.091
+ 13ALA CB 121 -0.718 -1.192 1.206
+ 13ALA HB1 122 -0.635 -1.263 1.215
+ 13ALA HB2 123 -0.722 -1.147 1.305
+ 13ALA HB3 124 -0.686 -1.121 1.129
+ 13ALA C 125 -0.844 -1.407 1.275
+ 13ALA O 126 -0.860 -1.513 1.217
+ 14NME N 127 -0.829 -1.400 1.408
+ 14NME H 128 -0.832 -1.305 1.443
+ 14NME CH3 129 -0.834 -1.514 1.497
+ 14NME HH31 130 -0.938 -1.534 1.525
+ 14NME HH32 131 -0.772 -1.496 1.584
+ 14NME HH33 132 -0.806 -1.608 1.448
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.550000
132
- 1ACE HH31 1 0.072 -1.016 1.887 0.0000 0.0000 0.0000
- 1ACE CH3 2 0.034 -0.916 1.912 0.0000 0.0000 0.0000
- 1ACE HH32 3 0.047 -0.887 2.016 0.0000 0.0000 0.0000
- 1ACE HH33 4 0.076 -0.831 1.859 0.0000 0.0000 0.0000
- 1ACE C 5 -0.114 -0.927 1.879 0.0000 0.0000 0.0000
- 1ACE O 6 -0.153 -0.971 1.772 0.0000 0.0000 0.0000
- 2ALA N 7 -0.207 -0.887 1.966 0.0000 0.0000 0.0000
- 2ALA H 8 -0.174 -0.848 2.054 0.0000 0.0000 0.0000
- 2ALA CA 9 -0.351 -0.899 1.962 0.0000 0.0000 0.0000
- 2ALA HA 10 -0.386 -0.927 1.862 0.0000 0.0000 0.0000
- 2ALA CB 11 -0.404 -0.998 2.065 0.0000 0.0000 0.0000
- 2ALA HB1 12 -0.513 -0.997 2.071 0.0000 0.0000 0.0000
- 2ALA HB2 13 -0.369 -0.963 2.162 0.0000 0.0000 0.0000
- 2ALA HB3 14 -0.383 -1.102 2.041 0.0000 0.0000 0.0000
- 2ALA C 15 -0.415 -0.763 1.989 0.0000 0.0000 0.0000
- 2ALA O 16 -0.426 -0.721 2.104 0.0000 0.0000 0.0000
- 3ALA N 17 -0.457 -0.692 1.884 0.0000 0.0000 0.0000
- 3ALA H 18 -0.441 -0.729 1.791 0.0000 0.0000 0.0000
- 3ALA CA 19 -0.533 -0.571 1.902 0.0000 0.0000 0.0000
- 3ALA HA 20 -0.500 -0.510 1.986 0.0000 0.0000 0.0000
- 3ALA CB 21 -0.523 -0.472 1.786 0.0000 0.0000 0.0000
- 3ALA HB1 22 -0.419 -0.451 1.763 0.0000 0.0000 0.0000
- 3ALA HB2 23 -0.578 -0.381 1.811 0.0000 0.0000 0.0000
- 3ALA HB3 24 -0.562 -0.527 1.700 0.0000 0.0000 0.0000
- 3ALA C 25 -0.679 -0.610 1.923 0.0000 0.0000 0.0000
- 3ALA O 26 -0.738 -0.682 1.843 0.0000 0.0000 0.0000
- 4ALA N 27 -0.739 -0.563 2.033 0.0000 0.0000 0.0000
- 4ALA H 28 -0.689 -0.521 2.110 0.0000 0.0000 0.0000
- 4ALA CA 29 -0.876 -0.594 2.068 0.0000 0.0000 0.0000
- 4ALA HA 30 -0.869 -0.702 2.075 0.0000 0.0000 0.0000
- 4ALA CB 31 -0.904 -0.534 2.205 0.0000 0.0000 0.0000
- 4ALA HB1 32 -0.894 -0.425 2.200 0.0000 0.0000 0.0000
- 4ALA HB2 33 -0.846 -0.575 2.288 0.0000 0.0000 0.0000
- 4ALA HB3 34 -1.011 -0.545 2.225 0.0000 0.0000 0.0000
- 4ALA C 35 -0.981 -0.556 1.964 0.0000 0.0000 0.0000
- 4ALA O 36 -0.972 -0.449 1.905 0.0000 0.0000 0.0000
- 5ALA N 37 -1.079 -0.644 1.941 0.0000 0.0000 0.0000
- 5ALA H 38 -1.079 -0.725 2.002 0.0000 0.0000 0.0000
- 5ALA CA 39 -1.186 -0.610 1.850 0.0000 0.0000 0.0000
- 5ALA HA 40 -1.191 -0.502 1.835 0.0000 0.0000 0.0000
- 5ALA CB 41 -1.156 -0.666 1.712 0.0000 0.0000 0.0000
- 5ALA HB1 42 -1.137 -0.773 1.712 0.0000 0.0000 0.0000
- 5ALA HB2 43 -1.076 -0.604 1.671 0.0000 0.0000 0.0000
- 5ALA HB3 44 -1.242 -0.650 1.647 0.0000 0.0000 0.0000
- 5ALA C 45 -1.320 -0.655 1.906 0.0000 0.0000 0.0000
- 5ALA O 46 -1.425 -0.600 1.872 0.0000 0.0000 0.0000
- 6ALA N 47 -1.327 -0.762 1.986 0.0000 0.0000 0.0000
- 6ALA H 48 -1.235 -0.803 1.999 0.0000 0.0000 0.0000
- 6ALA CA 49 -1.437 -0.819 2.061 0.0000 0.0000 0.0000
- 6ALA HA 50 -1.394 -0.918 2.075 0.0000 0.0000 0.0000
- 6ALA CB 51 -1.461 -0.751 2.195 0.0000 0.0000 0.0000
- 6ALA HB1 52 -1.559 -0.785 2.229 0.0000 0.0000 0.0000
- 6ALA HB2 53 -1.479 -0.645 2.179 0.0000 0.0000 0.0000
- 6ALA HB3 54 -1.380 -0.785 2.260 0.0000 0.0000 0.0000
- 6ALA C 55 -1.568 -0.833 1.985 0.0000 0.0000 0.0000
- 6ALA O 56 -1.607 -0.944 1.948 0.0000 0.0000 0.0000
- 7ALA N 57 -1.639 -0.722 1.964 0.0000 0.0000 0.0000
- 7ALA H 58 -1.578 -0.647 1.995 0.0000 0.0000 0.0000
- 7ALA CA 59 -1.749 -0.701 1.872 0.0000 0.0000 0.0000
- 7ALA HA 60 -1.832 -0.753 1.921 0.0000 0.0000 0.0000
- 7ALA CB 61 -1.783 -0.553 1.866 0.0000 0.0000 0.0000
- 7ALA HB1 62 -1.694 -0.489 1.865 0.0000 0.0000 0.0000
- 7ALA HB2 63 -1.848 -0.523 1.948 0.0000 0.0000 0.0000
- 7ALA HB3 64 -1.839 -0.521 1.778 0.0000 0.0000 0.0000
- 7ALA C 65 -1.729 -0.762 1.734 0.0000 0.0000 0.0000
- 7ALA O 66 -1.806 -0.843 1.684 0.0000 0.0000 0.0000
- 8ALA N 67 -1.617 -0.729 1.669 0.0000 0.0000 0.0000
- 8ALA H 68 -1.546 -0.681 1.722 0.0000 0.0000 0.0000
- 8ALA CA 69 -1.596 -0.760 1.528 0.0000 0.0000 0.0000
- 8ALA HA 70 -1.688 -0.790 1.479 0.0000 0.0000 0.0000
- 8ALA CB 71 -1.548 -0.635 1.455 0.0000 0.0000 0.0000
- 8ALA HB1 72 -1.619 -0.554 1.470 0.0000 0.0000 0.0000
- 8ALA HB2 73 -1.541 -0.657 1.349 0.0000 0.0000 0.0000
- 8ALA HB3 74 -1.448 -0.620 1.496 0.0000 0.0000 0.0000
- 8ALA C 75 -1.510 -0.884 1.515 0.0000 0.0000 0.0000
- 8ALA O 76 -1.406 -0.888 1.449 0.0000 0.0000 0.0000
- 9ALA N 77 -1.556 -0.985 1.590 0.0000 0.0000 0.0000
- 9ALA H 78 -1.649 -0.973 1.626 0.0000 0.0000 0.0000
- 9ALA CA 79 -1.480 -1.090 1.654 0.0000 0.0000 0.0000
- 9ALA HA 80 -1.551 -1.132 1.726 0.0000 0.0000 0.0000
- 9ALA CB 81 -1.453 -1.209 1.562 0.0000 0.0000 0.0000
- 9ALA HB1 82 -1.418 -1.169 1.468 0.0000 0.0000 0.0000
- 9ALA HB2 83 -1.544 -1.267 1.548 0.0000 0.0000 0.0000
- 9ALA HB3 84 -1.369 -1.265 1.604 0.0000 0.0000 0.0000
- 9ALA C 85 -1.362 -1.042 1.738 0.0000 0.0000 0.0000
- 9ALA O 86 -1.331 -0.924 1.749 0.0000 0.0000 0.0000
- 10ALA N 87 -1.300 -1.134 1.812 0.0000 0.0000 0.0000
- 10ALA H 88 -1.321 -1.232 1.801 0.0000 0.0000 0.0000
- 10ALA CA 89 -1.224 -1.112 1.933 0.0000 0.0000 0.0000
- 10ALA HA 90 -1.294 -1.080 2.011 0.0000 0.0000 0.0000
- 10ALA CB 91 -1.161 -1.244 1.978 0.0000 0.0000 0.0000
- 10ALA HB1 92 -1.095 -1.282 1.901 0.0000 0.0000 0.0000
- 10ALA HB2 93 -1.238 -1.317 2.004 0.0000 0.0000 0.0000
- 10ALA HB3 94 -1.102 -1.228 2.068 0.0000 0.0000 0.0000
- 10ALA C 95 -1.110 -1.013 1.918 0.0000 0.0000 0.0000
- 10ALA O 96 -1.106 -0.915 1.992 0.0000 0.0000 0.0000
- 11ALA N 97 -1.012 -1.036 1.830 0.0000 0.0000 0.0000
- 11ALA H 98 -1.020 -1.126 1.786 0.0000 0.0000 0.0000
- 11ALA CA 99 -0.893 -0.955 1.821 0.0000 0.0000 0.0000
- 11ALA HA 100 -0.924 -0.851 1.829 0.0000 0.0000 0.0000
- 11ALA CB 101 -0.796 -0.988 1.933 0.0000 0.0000 0.0000
- 11ALA HB1 102 -0.840 -0.953 2.026 0.0000 0.0000 0.0000
- 11ALA HB2 103 -0.699 -0.938 1.931 0.0000 0.0000 0.0000
- 11ALA HB3 104 -0.788 -1.097 1.934 0.0000 0.0000 0.0000
- 11ALA C 105 -0.826 -0.977 1.686 0.0000 0.0000 0.0000
- 11ALA O 106 -0.857 -1.075 1.619 0.0000 0.0000 0.0000
- 12ALA N 107 -0.737 -0.882 1.654 0.0000 0.0000 0.0000
- 12ALA H 108 -0.731 -0.797 1.708 0.0000 0.0000 0.0000
- 12ALA CA 109 -0.668 -0.882 1.526 0.0000 0.0000 0.0000
- 12ALA HA 110 -0.688 -0.975 1.472 0.0000 0.0000 0.0000
- 12ALA CB 111 -0.714 -0.770 1.434 0.0000 0.0000 0.0000
- 12ALA HB1 112 -0.820 -0.778 1.408 0.0000 0.0000 0.0000
- 12ALA HB2 113 -0.661 -0.775 1.339 0.0000 0.0000 0.0000
- 12ALA HB3 114 -0.704 -0.680 1.495 0.0000 0.0000 0.0000
- 12ALA C 115 -0.518 -0.881 1.550 0.0000 0.0000 0.0000
- 12ALA O 116 -0.467 -0.820 1.644 0.0000 0.0000 0.0000
- 13ALA N 117 -0.438 -0.946 1.465 0.0000 0.0000 0.0000
- 13ALA H 118 -0.481 -0.984 1.382 0.0000 0.0000 0.0000
- 13ALA CA 119 -0.293 -0.945 1.465 0.0000 0.0000 0.0000
- 13ALA HA 120 -0.266 -0.984 1.563 0.0000 0.0000 0.0000
- 13ALA CB 121 -0.244 -1.047 1.362 0.0000 0.0000 0.0000
- 13ALA HB1 122 -0.294 -1.019 1.270 0.0000 0.0000 0.0000
- 13ALA HB2 123 -0.270 -1.149 1.389 0.0000 0.0000 0.0000
- 13ALA HB3 124 -0.135 -1.043 1.354 0.0000 0.0000 0.0000
- 13ALA C 125 -0.235 -0.809 1.430 0.0000 0.0000 0.0000
- 13ALA O 126 -0.277 -0.744 1.335 0.0000 0.0000 0.0000
- 14NME N 127 -0.141 -0.764 1.514 0.0000 0.0000 0.0000
- 14NME H 128 -0.103 -0.828 1.583 0.0000 0.0000 0.0000
- 14NME CH3 129 -0.078 -0.635 1.493 0.0000 0.0000 0.0000
- 14NME HH31 130 0.019 -0.629 1.542 0.0000 0.0000 0.0000
- 14NME HH32 131 -0.149 -0.567 1.540 0.0000 0.0000 0.0000
- 14NME HH33 132 -0.074 -0.617 1.386 0.0000 0.0000 0.0000
+ 1ACE HH31 1 0.072 -1.016 1.887
+ 1ACE CH3 2 0.034 -0.916 1.912
+ 1ACE HH32 3 0.047 -0.887 2.016
+ 1ACE HH33 4 0.076 -0.831 1.859
+ 1ACE C 5 -0.114 -0.927 1.879
+ 1ACE O 6 -0.153 -0.971 1.772
+ 2ALA N 7 -0.207 -0.887 1.966
+ 2ALA H 8 -0.174 -0.848 2.054
+ 2ALA CA 9 -0.351 -0.899 1.962
+ 2ALA HA 10 -0.386 -0.927 1.862
+ 2ALA CB 11 -0.404 -0.998 2.065
+ 2ALA HB1 12 -0.513 -0.997 2.071
+ 2ALA HB2 13 -0.369 -0.963 2.162
+ 2ALA HB3 14 -0.383 -1.102 2.041
+ 2ALA C 15 -0.415 -0.763 1.989
+ 2ALA O 16 -0.426 -0.721 2.104
+ 3ALA N 17 -0.457 -0.692 1.884
+ 3ALA H 18 -0.441 -0.729 1.791
+ 3ALA CA 19 -0.533 -0.571 1.902
+ 3ALA HA 20 -0.500 -0.510 1.986
+ 3ALA CB 21 -0.523 -0.472 1.786
+ 3ALA HB1 22 -0.419 -0.451 1.763
+ 3ALA HB2 23 -0.578 -0.381 1.811
+ 3ALA HB3 24 -0.562 -0.527 1.700
+ 3ALA C 25 -0.679 -0.610 1.923
+ 3ALA O 26 -0.738 -0.682 1.843
+ 4ALA N 27 -0.739 -0.563 2.033
+ 4ALA H 28 -0.689 -0.521 2.110
+ 4ALA CA 29 -0.876 -0.594 2.068
+ 4ALA HA 30 -0.869 -0.702 2.075
+ 4ALA CB 31 -0.904 -0.534 2.205
+ 4ALA HB1 32 -0.894 -0.425 2.200
+ 4ALA HB2 33 -0.846 -0.575 2.288
+ 4ALA HB3 34 -1.011 -0.545 2.225
+ 4ALA C 35 -0.981 -0.556 1.964
+ 4ALA O 36 -0.972 -0.449 1.905
+ 5ALA N 37 -1.079 -0.644 1.941
+ 5ALA H 38 -1.079 -0.725 2.002
+ 5ALA CA 39 -1.186 -0.610 1.850
+ 5ALA HA 40 -1.191 -0.502 1.835
+ 5ALA CB 41 -1.156 -0.666 1.712
+ 5ALA HB1 42 -1.137 -0.773 1.712
+ 5ALA HB2 43 -1.076 -0.604 1.671
+ 5ALA HB3 44 -1.242 -0.650 1.647
+ 5ALA C 45 -1.320 -0.655 1.906
+ 5ALA O 46 -1.425 -0.600 1.872
+ 6ALA N 47 -1.327 -0.762 1.986
+ 6ALA H 48 -1.235 -0.803 1.999
+ 6ALA CA 49 -1.437 -0.819 2.061
+ 6ALA HA 50 -1.394 -0.918 2.075
+ 6ALA CB 51 -1.461 -0.751 2.195
+ 6ALA HB1 52 -1.559 -0.785 2.229
+ 6ALA HB2 53 -1.479 -0.645 2.179
+ 6ALA HB3 54 -1.380 -0.785 2.260
+ 6ALA C 55 -1.568 -0.833 1.985
+ 6ALA O 56 -1.607 -0.944 1.948
+ 7ALA N 57 -1.639 -0.722 1.964
+ 7ALA H 58 -1.578 -0.647 1.995
+ 7ALA CA 59 -1.749 -0.701 1.872
+ 7ALA HA 60 -1.832 -0.753 1.921
+ 7ALA CB 61 -1.783 -0.553 1.866
+ 7ALA HB1 62 -1.694 -0.489 1.865
+ 7ALA HB2 63 -1.848 -0.523 1.948
+ 7ALA HB3 64 -1.839 -0.521 1.778
+ 7ALA C 65 -1.729 -0.762 1.734
+ 7ALA O 66 -1.806 -0.843 1.684
+ 8ALA N 67 -1.617 -0.729 1.669
+ 8ALA H 68 -1.546 -0.681 1.722
+ 8ALA CA 69 -1.596 -0.760 1.528
+ 8ALA HA 70 -1.688 -0.790 1.479
+ 8ALA CB 71 -1.548 -0.635 1.455
+ 8ALA HB1 72 -1.619 -0.554 1.470
+ 8ALA HB2 73 -1.541 -0.657 1.349
+ 8ALA HB3 74 -1.448 -0.620 1.496
+ 8ALA C 75 -1.510 -0.884 1.515
+ 8ALA O 76 -1.406 -0.888 1.449
+ 9ALA N 77 -1.556 -0.985 1.590
+ 9ALA H 78 -1.649 -0.973 1.626
+ 9ALA CA 79 -1.480 -1.090 1.654
+ 9ALA HA 80 -1.551 -1.132 1.726
+ 9ALA CB 81 -1.453 -1.209 1.562
+ 9ALA HB1 82 -1.418 -1.169 1.468
+ 9ALA HB2 83 -1.544 -1.267 1.548
+ 9ALA HB3 84 -1.369 -1.265 1.604
+ 9ALA C 85 -1.362 -1.042 1.738
+ 9ALA O 86 -1.331 -0.924 1.749
+ 10ALA N 87 -1.300 -1.134 1.812
+ 10ALA H 88 -1.321 -1.232 1.801
+ 10ALA CA 89 -1.224 -1.112 1.933
+ 10ALA HA 90 -1.294 -1.080 2.011
+ 10ALA CB 91 -1.161 -1.244 1.978
+ 10ALA HB1 92 -1.095 -1.282 1.901
+ 10ALA HB2 93 -1.238 -1.317 2.004
+ 10ALA HB3 94 -1.102 -1.228 2.068
+ 10ALA C 95 -1.110 -1.013 1.918
+ 10ALA O 96 -1.106 -0.915 1.992
+ 11ALA N 97 -1.012 -1.036 1.830
+ 11ALA H 98 -1.020 -1.126 1.786
+ 11ALA CA 99 -0.893 -0.955 1.821
+ 11ALA HA 100 -0.924 -0.851 1.829
+ 11ALA CB 101 -0.796 -0.988 1.933
+ 11ALA HB1 102 -0.840 -0.953 2.026
+ 11ALA HB2 103 -0.699 -0.938 1.931
+ 11ALA HB3 104 -0.788 -1.097 1.934
+ 11ALA C 105 -0.826 -0.977 1.686
+ 11ALA O 106 -0.857 -1.075 1.619
+ 12ALA N 107 -0.737 -0.882 1.654
+ 12ALA H 108 -0.731 -0.797 1.708
+ 12ALA CA 109 -0.668 -0.882 1.526
+ 12ALA HA 110 -0.688 -0.975 1.472
+ 12ALA CB 111 -0.714 -0.770 1.434
+ 12ALA HB1 112 -0.820 -0.778 1.408
+ 12ALA HB2 113 -0.661 -0.775 1.339
+ 12ALA HB3 114 -0.704 -0.680 1.495
+ 12ALA C 115 -0.518 -0.881 1.550
+ 12ALA O 116 -0.467 -0.820 1.644
+ 13ALA N 117 -0.438 -0.946 1.465
+ 13ALA H 118 -0.481 -0.984 1.382
+ 13ALA CA 119 -0.293 -0.945 1.465
+ 13ALA HA 120 -0.266 -0.984 1.563
+ 13ALA CB 121 -0.244 -1.047 1.362
+ 13ALA HB1 122 -0.294 -1.019 1.270
+ 13ALA HB2 123 -0.270 -1.149 1.389
+ 13ALA HB3 124 -0.135 -1.043 1.354
+ 13ALA C 125 -0.235 -0.809 1.430
+ 13ALA O 126 -0.277 -0.744 1.335
+ 14NME N 127 -0.141 -0.764 1.514
+ 14NME H 128 -0.103 -0.828 1.583
+ 14NME CH3 129 -0.078 -0.635 1.493
+ 14NME HH31 130 0.019 -0.629 1.542
+ 14NME HH32 131 -0.149 -0.567 1.540
+ 14NME HH33 132 -0.074 -0.617 1.386
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
diff --git a/regtest/basic/rt54/helix-pr.gro.reference b/regtest/basic/rt54/helix-pr.gro.reference
new file mode 100644
index 0000000000000000000000000000000000000000..9202d01137297ee3b3695d5333eeee77c4ff9ada
--- /dev/null
+++ b/regtest/basic/rt54/helix-pr.gro.reference
@@ -0,0 +1,1620 @@
+Made with PLUMED t=0.000000
+132
+ 1ACE HH31 1 -0.911000000000 -0.240000000000 2.180000000000
+ 1ACE CH3 2 -0.893000000000 -0.335000000000 2.231000000000
+ 1ACE HH32 3 -0.950000000000 -0.350000000000 2.322000000000
+ 1ACE HH33 4 -0.907000000000 -0.417000000000 2.160000000000
+ 1ACE C 5 -0.745000000000 -0.330000000000 2.266000000000
+ 1ACE O 6 -0.691000000000 -0.221000000000 2.283000000000
+ 2ALA N 7 -0.681000000000 -0.448000000000 2.268000000000
+ 2ALA H 8 -0.732000000000 -0.530000000000 2.242000000000
+ 2ALA CA 9 -0.540000000000 -0.460000000000 2.297000000000
+ 2ALA HA 10 -0.488000000000 -0.386000000000 2.235000000000
+ 2ALA CB 11 -0.507000000000 -0.437000000000 2.444000000000
+ 2ALA HB1 12 -0.401000000000 -0.435000000000 2.467000000000
+ 2ALA HB2 13 -0.544000000000 -0.514000000000 2.511000000000
+ 2ALA HB3 14 -0.556000000000 -0.343000000000 2.470000000000
+ 2ALA C 15 -0.491000000000 -0.595000000000 2.247000000000
+ 2ALA O 16 -0.473000000000 -0.613000000000 2.126000000000
+ 3ALA N 17 -0.485000000000 -0.697000000000 2.333000000000
+ 3ALA H 18 -0.512000000000 -0.679000000000 2.429000000000
+ 3ALA CA 19 -0.472000000000 -0.840000000000 2.316000000000
+ 3ALA HA 20 -0.377000000000 -0.852000000000 2.264000000000
+ 3ALA CB 21 -0.461000000000 -0.909000000000 2.451000000000
+ 3ALA HB1 22 -0.376000000000 -0.871000000000 2.508000000000
+ 3ALA HB2 23 -0.451000000000 -1.014000000000 2.425000000000
+ 3ALA HB3 24 -0.549000000000 -0.913000000000 2.516000000000
+ 3ALA C 25 -0.575000000000 -0.906000000000 2.226000000000
+ 3ALA O 26 -0.536000000000 -0.975000000000 2.132000000000
+ 4ALA N 27 -0.704000000000 -0.887000000000 2.257000000000
+ 4ALA H 28 -0.704000000000 -0.806000000000 2.318000000000
+ 4ALA CA 29 -0.820000000000 -0.923000000000 2.179000000000
+ 4ALA HA 30 -0.787000000000 -0.985000000000 2.095000000000
+ 4ALA CB 31 -0.916000000000 -0.996000000000 2.273000000000
+ 4ALA HB1 32 -0.863000000000 -1.079000000000 2.319000000000
+ 4ALA HB2 33 -1.010000000000 -1.033000000000 2.231000000000
+ 4ALA HB3 34 -0.940000000000 -0.926000000000 2.353000000000
+ 4ALA C 35 -0.872000000000 -0.791000000000 2.126000000000
+ 4ALA O 36 -0.827000000000 -0.685000000000 2.168000000000
+ 5ALA N 37 -0.957000000000 -0.790000000000 2.022000000000
+ 5ALA H 38 -0.963000000000 -0.882000000000 1.981000000000
+ 5ALA CA 39 -0.992000000000 -0.679000000000 1.936000000000
+ 5ALA HA 40 -1.014000000000 -0.595000000000 2.001000000000
+ 5ALA CB 41 -0.879000000000 -0.640000000000 1.841000000000
+ 5ALA HB1 42 -0.853000000000 -0.714000000000 1.765000000000
+ 5ALA HB2 43 -0.786000000000 -0.629000000000 1.896000000000
+ 5ALA HB3 44 -0.898000000000 -0.548000000000 1.786000000000
+ 5ALA C 45 -1.118000000000 -0.705000000000 1.853000000000
+ 5ALA O 46 -1.152000000000 -0.822000000000 1.837000000000
+ 6ALA N 47 -1.193000000000 -0.605000000000 1.805000000000
+ 6ALA H 48 -1.160000000000 -0.510000000000 1.805000000000
+ 6ALA CA 49 -1.324000000000 -0.626000000000 1.747000000000
+ 6ALA HA 50 -1.312000000000 -0.716000000000 1.687000000000
+ 6ALA CB 51 -1.437000000000 -0.640000000000 1.849000000000
+ 6ALA HB1 52 -1.533000000000 -0.650000000000 1.799000000000
+ 6ALA HB2 53 -1.436000000000 -0.555000000000 1.918000000000
+ 6ALA HB3 54 -1.413000000000 -0.723000000000 1.916000000000
+ 6ALA C 55 -1.363000000000 -0.509000000000 1.658000000000
+ 6ALA O 56 -1.336000000000 -0.394000000000 1.692000000000
+ 7ALA N 57 -1.421000000000 -0.543000000000 1.543000000000
+ 7ALA H 58 -1.429000000000 -0.644000000000 1.540000000000
+ 7ALA CA 59 -1.490000000000 -0.458000000000 1.448000000000
+ 7ALA HA 60 -1.536000000000 -0.379000000000 1.507000000000
+ 7ALA CB 61 -1.389000000000 -0.380000000000 1.364000000000
+ 7ALA HB1 62 -1.448000000000 -0.310000000000 1.305000000000
+ 7ALA HB2 63 -1.323000000000 -0.443000000000 1.305000000000
+ 7ALA HB3 64 -1.329000000000 -0.316000000000 1.428000000000
+ 7ALA C 65 -1.595000000000 -0.517000000000 1.355000000000
+ 7ALA O 66 -1.715000000000 -0.505000000000 1.374000000000
+ 8ALA N 67 -1.548000000000 -0.602000000000 1.264000000000
+ 8ALA H 68 -1.447000000000 -0.611000000000 1.257000000000
+ 8ALA CA 69 -1.614000000000 -0.708000000000 1.190000000000
+ 8ALA HA 70 -1.721000000000 -0.703000000000 1.210000000000
+ 8ALA CB 71 -1.591000000000 -0.690000000000 1.040000000000
+ 8ALA HB1 72 -1.648000000000 -0.607000000000 0.998000000000
+ 8ALA HB2 73 -1.611000000000 -0.781000000000 0.984000000000
+ 8ALA HB3 74 -1.484000000000 -0.673000000000 1.042000000000
+ 8ALA C 75 -1.555000000000 -0.841000000000 1.237000000000
+ 8ALA O 76 -1.437000000000 -0.871000000000 1.223000000000
+ 9ALA N 77 -1.646000000000 -0.911000000000 1.305000000000
+ 9ALA H 78 -1.736000000000 -0.867000000000 1.314000000000
+ 9ALA CA 79 -1.613000000000 -1.016000000000 1.400000000000
+ 9ALA HA 80 -1.700000000000 -1.054000000000 1.454000000000
+ 9ALA CB 81 -1.558000000000 -1.131000000000 1.316000000000
+ 9ALA HB1 82 -1.457000000000 -1.097000000000 1.292000000000
+ 9ALA HB2 83 -1.622000000000 -1.150000000000 1.229000000000
+ 9ALA HB3 84 -1.560000000000 -1.227000000000 1.366000000000
+ 9ALA C 85 -1.527000000000 -0.959000000000 1.512000000000
+ 9ALA O 86 -1.521000000000 -0.838000000000 1.529000000000
+ 10ALA N 87 -1.468000000000 -1.048000000000 1.592000000000
+ 10ALA H 88 -1.491000000000 -1.146000000000 1.590000000000
+ 10ALA CA 89 -1.367000000000 -1.015000000000 1.691000000000
+ 10ALA HA 90 -1.329000000000 -0.914000000000 1.678000000000
+ 10ALA CB 91 -1.435000000000 -1.017000000000 1.828000000000
+ 10ALA HB1 92 -1.490000000000 -0.923000000000 1.834000000000
+ 10ALA HB2 93 -1.358000000000 -1.025000000000 1.905000000000
+ 10ALA HB3 94 -1.489000000000 -1.109000000000 1.848000000000
+ 10ALA C 95 -1.251000000000 -1.113000000000 1.681000000000
+ 10ALA O 96 -1.267000000000 -1.221000000000 1.625000000000
+ 11ALA N 97 -1.130000000000 -1.073000000000 1.721000000000
+ 11ALA H 98 -1.130000000000 -0.977000000000 1.752000000000
+ 11ALA CA 99 -1.003000000000 -1.138000000000 1.699000000000
+ 11ALA HA 100 -1.012000000000 -1.247000000000 1.693000000000
+ 11ALA CB 101 -0.950000000000 -1.103000000000 1.560000000000
+ 11ALA HB1 102 -0.858000000000 -1.159000000000 1.542000000000
+ 11ALA HB2 103 -0.938000000000 -0.994000000000 1.557000000000
+ 11ALA HB3 104 -1.013000000000 -1.131000000000 1.476000000000
+ 11ALA C 105 -0.901000000000 -1.112000000000 1.809000000000
+ 11ALA O 106 -0.930000000000 -1.031000000000 1.897000000000
+ 12ALA N 107 -0.784000000000 -1.175000000000 1.802000000000
+ 12ALA H 108 -0.768000000000 -1.243000000000 1.729000000000
+ 12ALA CA 109 -0.663000000000 -1.129000000000 1.868000000000
+ 12ALA HA 110 -0.695000000000 -1.097000000000 1.966000000000
+ 12ALA CB 111 -0.568000000000 -1.247000000000 1.888000000000
+ 12ALA HB1 112 -0.521000000000 -1.271000000000 1.792000000000
+ 12ALA HB2 113 -0.628000000000 -1.330000000000 1.924000000000
+ 12ALA HB3 114 -0.488000000000 -1.217000000000 1.955000000000
+ 12ALA C 115 -0.601000000000 -1.014000000000 1.790000000000
+ 12ALA O 116 -0.638000000000 -0.989000000000 1.675000000000
+ 13ALA N 117 -0.509000000000 -0.942000000000 1.854000000000
+ 13ALA H 118 -0.508000000000 -0.964000000000 1.953000000000
+ 13ALA CA 119 -0.423000000000 -0.841000000000 1.796000000000
+ 13ALA HA 120 -0.398000000000 -0.873000000000 1.695000000000
+ 13ALA CB 121 -0.497000000000 -0.707000000000 1.786000000000
+ 13ALA HB1 122 -0.429000000000 -0.630000000000 1.750000000000
+ 13ALA HB2 123 -0.545000000000 -0.676000000000 1.878000000000
+ 13ALA HB3 124 -0.578000000000 -0.724000000000 1.715000000000
+ 13ALA C 125 -0.296000000000 -0.825000000000 1.877000000000
+ 13ALA O 126 -0.198000000000 -0.896000000000 1.854000000000
+ 14NME N 127 -0.292000000000 -0.739000000000 1.979000000000
+ 14NME H 128 -0.373000000000 -0.682000000000 2.001000000000
+ 14NME CH3 129 -0.169000000000 -0.709000000000 2.049000000000
+ 14NME HH31 130 -0.187000000000 -0.663000000000 2.146000000000
+ 14NME HH32 131 -0.115000000000 -0.628000000000 1.999000000000
+ 14NME HH33 132 -0.114000000000 -0.802000000000 2.060000000000
+ 100.000000000000 100.000000000000 100.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
+Made with PLUMED t=0.050000
+132
+ 1ACE HH31 1 -0.022000000000 -1.191000000000 1.511000000000
+ 1ACE CH3 2 -0.086000000000 -1.241000000000 1.583000000000
+ 1ACE HH32 3 -0.085000000000 -1.347000000000 1.559000000000
+ 1ACE HH33 4 -0.041000000000 -1.210000000000 1.677000000000
+ 1ACE C 5 -0.234000000000 -1.207000000000 1.574000000000
+ 1ACE O 6 -0.296000000000 -1.249000000000 1.476000000000
+ 2ALA N 7 -0.285000000000 -1.128000000000 1.669000000000
+ 2ALA H 8 -0.219000000000 -1.076000000000 1.724000000000
+ 2ALA CA 9 -0.423000000000 -1.089000000000 1.690000000000
+ 2ALA HA 10 -0.467000000000 -1.054000000000 1.596000000000
+ 2ALA CB 11 -0.508000000000 -1.207000000000 1.738000000000
+ 2ALA HB1 12 -0.474000000000 -1.239000000000 1.837000000000
+ 2ALA HB2 13 -0.488000000000 -1.296000000000 1.679000000000
+ 2ALA HB3 14 -0.614000000000 -1.180000000000 1.738000000000
+ 2ALA C 15 -0.433000000000 -0.975000000000 1.789000000000
+ 2ALA O 16 -0.330000000000 -0.930000000000 1.841000000000
+ 3ALA N 17 -0.553000000000 -0.923000000000 1.818000000000
+ 3ALA H 18 -0.641000000000 -0.957000000000 1.782000000000
+ 3ALA CA 19 -0.579000000000 -0.816000000000 1.911000000000
+ 3ALA HA 20 -0.531000000000 -0.825000000000 2.008000000000
+ 3ALA CB 21 -0.521000000000 -0.692000000000 1.844000000000
+ 3ALA HB1 22 -0.553000000000 -0.687000000000 1.740000000000
+ 3ALA HB2 23 -0.412000000000 -0.690000000000 1.848000000000
+ 3ALA HB3 24 -0.548000000000 -0.603000000000 1.901000000000
+ 3ALA C 25 -0.729000000000 -0.807000000000 1.939000000000
+ 3ALA O 26 -0.790000000000 -0.909000000000 1.910000000000
+ 4ALA N 27 -0.780000000000 -0.703000000000 2.006000000000
+ 4ALA H 28 -0.724000000000 -0.620000000000 2.014000000000
+ 4ALA CA 29 -0.923000000000 -0.687000000000 2.019000000000
+ 4ALA HA 30 -0.969000000000 -0.739000000000 1.935000000000
+ 4ALA CB 31 -0.985000000000 -0.739000000000 2.149000000000
+ 4ALA HB1 32 -0.986000000000 -0.847000000000 2.159000000000
+ 4ALA HB2 33 -1.089000000000 -0.713000000000 2.162000000000
+ 4ALA HB3 34 -0.928000000000 -0.699000000000 2.234000000000
+ 4ALA C 35 -0.960000000000 -0.539000000000 2.015000000000
+ 4ALA O 36 -0.878000000000 -0.450000000000 2.032000000000
+ 5ALA N 37 -1.083000000000 -0.503000000000 1.978000000000
+ 5ALA H 38 -1.152000000000 -0.577000000000 1.966000000000
+ 5ALA CA 39 -1.136000000000 -0.368000000000 1.973000000000
+ 5ALA HA 40 -1.090000000000 -0.303000000000 2.047000000000
+ 5ALA CB 41 -1.093000000000 -0.311000000000 1.838000000000
+ 5ALA HB1 42 -0.985000000000 -0.301000000000 1.834000000000
+ 5ALA HB2 43 -1.117000000000 -0.206000000000 1.827000000000
+ 5ALA HB3 44 -1.131000000000 -0.367000000000 1.752000000000
+ 5ALA C 45 -1.287000000000 -0.355000000000 1.992000000000
+ 5ALA O 46 -1.363000000000 -0.357000000000 1.895000000000
+ 6ALA N 47 -1.330000000000 -0.348000000000 2.118000000000
+ 6ALA H 48 -1.255000000000 -0.352000000000 2.185000000000
+ 6ALA CA 49 -1.466000000000 -0.348000000000 2.167000000000
+ 6ALA HA 50 -1.466000000000 -0.369000000000 2.274000000000
+ 6ALA CB 51 -1.528000000000 -0.209000000000 2.154000000000
+ 6ALA HB1 52 -1.511000000000 -0.171000000000 2.054000000000
+ 6ALA HB2 53 -1.487000000000 -0.142000000000 2.230000000000
+ 6ALA HB3 54 -1.634000000000 -0.212000000000 2.183000000000
+ 6ALA C 55 -1.536000000000 -0.467000000000 2.102000000000
+ 6ALA O 56 -1.511000000000 -0.585000000000 2.124000000000
+ 7ALA N 57 -1.628000000000 -0.437000000000 2.010000000000
+ 7ALA H 58 -1.622000000000 -0.343000000000 1.973000000000
+ 7ALA CA 59 -1.720000000000 -0.525000000000 1.940000000000
+ 7ALA HA 60 -1.786000000000 -0.574000000000 2.010000000000
+ 7ALA CB 61 -1.803000000000 -0.437000000000 1.847000000000
+ 7ALA HB1 62 -1.738000000000 -0.389000000000 1.774000000000
+ 7ALA HB2 63 -1.841000000000 -0.359000000000 1.914000000000
+ 7ALA HB3 64 -1.871000000000 -0.502000000000 1.793000000000
+ 7ALA C 65 -1.648000000000 -0.622000000000 1.848000000000
+ 7ALA O 66 -1.697000000000 -0.734000000000 1.832000000000
+ 8ALA N 67 -1.533000000000 -0.582000000000 1.793000000000
+ 8ALA H 68 -1.501000000000 -0.493000000000 1.826000000000
+ 8ALA CA 69 -1.430000000000 -0.679000000000 1.760000000000
+ 8ALA HA 70 -1.471000000000 -0.765000000000 1.707000000000
+ 8ALA CB 71 -1.332000000000 -0.608000000000 1.667000000000
+ 8ALA HB1 72 -1.287000000000 -0.682000000000 1.602000000000
+ 8ALA HB2 73 -1.257000000000 -0.548000000000 1.719000000000
+ 8ALA HB3 74 -1.390000000000 -0.536000000000 1.609000000000
+ 8ALA C 75 -1.378000000000 -0.744000000000 1.888000000000
+ 8ALA O 76 -1.275000000000 -0.704000000000 1.942000000000
+ 9ALA N 77 -1.452000000000 -0.839000000000 1.946000000000
+ 9ALA H 78 -1.538000000000 -0.859000000000 1.897000000000
+ 9ALA CA 79 -1.419000000000 -0.903000000000 2.072000000000
+ 9ALA HA 80 -1.420000000000 -0.833000000000 2.156000000000
+ 9ALA CB 81 -1.531000000000 -0.994000000000 2.122000000000
+ 9ALA HB1 82 -1.511000000000 -1.010000000000 2.228000000000
+ 9ALA HB2 83 -1.531000000000 -1.091000000000 2.073000000000
+ 9ALA HB3 84 -1.630000000000 -0.955000000000 2.097000000000
+ 9ALA C 85 -1.283000000000 -0.970000000000 2.072000000000
+ 9ALA O 86 -1.228000000000 -0.985000000000 2.181000000000
+ 10ALA N 87 -1.243000000000 -1.021000000000 1.955000000000
+ 10ALA H 88 -1.303000000000 -1.005000000000 1.876000000000
+ 10ALA CA 89 -1.115000000000 -1.079000000000 1.918000000000
+ 10ALA HA 90 -1.031000000000 -1.040000000000 1.975000000000
+ 10ALA CB 91 -1.127000000000 -1.229000000000 1.941000000000
+ 10ALA HB1 92 -1.210000000000 -1.273000000000 1.887000000000
+ 10ALA HB2 93 -1.126000000000 -1.256000000000 2.047000000000
+ 10ALA HB3 94 -1.043000000000 -1.286000000000 1.901000000000
+ 10ALA C 95 -1.100000000000 -1.066000000000 1.767000000000
+ 10ALA O 96 -1.203000000000 -1.084000000000 1.703000000000
+ 11ALA N 97 -0.980000000000 -1.044000000000 1.712000000000
+ 11ALA H 98 -0.897000000000 -1.014000000000 1.760000000000
+ 11ALA CA 99 -0.959000000000 -1.027000000000 1.570000000000
+ 11ALA HA 100 -1.029000000000 -1.091000000000 1.518000000000
+ 11ALA CB 101 -0.985000000000 -0.884000000000 1.522000000000
+ 11ALA HB1 102 -0.933000000000 -0.812000000000 1.585000000000
+ 11ALA HB2 103 -1.088000000000 -0.847000000000 1.527000000000
+ 11ALA HB3 104 -0.955000000000 -0.878000000000 1.418000000000
+ 11ALA C 105 -0.818000000000 -1.079000000000 1.542000000000
+ 11ALA O 106 -0.720000000000 -1.010000000000 1.567000000000
+ 12ALA N 107 -0.810000000000 -1.192000000000 1.471000000000
+ 12ALA H 108 -0.899000000000 -1.232000000000 1.447000000000
+ 12ALA CA 109 -0.694000000000 -1.250000000000 1.405000000000
+ 12ALA HA 110 -0.616000000000 -1.248000000000 1.481000000000
+ 12ALA CB 111 -0.729000000000 -1.394000000000 1.371000000000
+ 12ALA HB1 112 -0.756000000000 -1.445000000000 1.464000000000
+ 12ALA HB2 113 -0.635000000000 -1.447000000000 1.353000000000
+ 12ALA HB3 114 -0.810000000000 -1.405000000000 1.299000000000
+ 12ALA C 115 -0.643000000000 -1.158000000000 1.295000000000
+ 12ALA O 116 -0.717000000000 -1.094000000000 1.220000000000
+ 13ALA N 117 -0.510000000000 -1.144000000000 1.290000000000
+ 13ALA H 118 -0.454000000000 -1.190000000000 1.361000000000
+ 13ALA CA 119 -0.445000000000 -1.053000000000 1.199000000000
+ 13ALA HA 120 -0.510000000000 -1.024000000000 1.117000000000
+ 13ALA CB 121 -0.388000000000 -0.929000000000 1.268000000000
+ 13ALA HB1 122 -0.291000000000 -0.949000000000 1.314000000000
+ 13ALA HB2 123 -0.462000000000 -0.882000000000 1.333000000000
+ 13ALA HB3 124 -0.372000000000 -0.861000000000 1.185000000000
+ 13ALA C 125 -0.332000000000 -1.121000000000 1.123000000000
+ 13ALA O 126 -0.322000000000 -1.111000000000 1.001000000000
+ 14NME N 127 -0.249000000000 -1.196000000000 1.196000000000
+ 14NME H 128 -0.277000000000 -1.213000000000 1.292000000000
+ 14NME CH3 129 -0.133000000000 -1.261000000000 1.139000000000
+ 14NME HH31 130 -0.121000000000 -1.218000000000 1.040000000000
+ 14NME HH32 131 -0.148000000000 -1.369000000000 1.146000000000
+ 14NME HH33 132 -0.043000000000 -1.233000000000 1.193000000000
+ 100.000000000000 100.000000000000 100.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
+Made with PLUMED t=0.100000
+132
+ 1ACE HH31 1 -1.697000000000 -0.728000000000 1.714000000000
+ 1ACE CH3 2 -1.714000000000 -0.818000000000 1.773000000000
+ 1ACE HH32 3 -1.805000000000 -0.789000000000 1.825000000000
+ 1ACE HH33 4 -1.737000000000 -0.908000000000 1.716000000000
+ 1ACE C 5 -1.589000000000 -0.834000000000 1.859000000000
+ 1ACE O 6 -1.546000000000 -0.746000000000 1.933000000000
+ 2ALA N 7 -1.531000000000 -0.952000000000 1.836000000000
+ 2ALA H 8 -1.561000000000 -1.001000000000 1.753000000000
+ 2ALA CA 9 -1.432000000000 -1.004000000000 1.929000000000
+ 2ALA HA 10 -1.452000000000 -0.954000000000 2.023000000000
+ 2ALA CB 11 -1.453000000000 -1.154000000000 1.948000000000
+ 2ALA HB1 12 -1.407000000000 -1.191000000000 2.039000000000
+ 2ALA HB2 13 -1.410000000000 -1.201000000000 1.859000000000
+ 2ALA HB3 14 -1.555000000000 -1.188000000000 1.965000000000
+ 2ALA C 15 -1.294000000000 -0.951000000000 1.891000000000
+ 2ALA O 16 -1.280000000000 -0.855000000000 1.817000000000
+ 3ALA N 17 -1.192000000000 -1.021000000000 1.941000000000
+ 3ALA H 18 -1.201000000000 -1.119000000000 1.963000000000
+ 3ALA CA 19 -1.057000000000 -0.971000000000 1.960000000000
+ 3ALA HA 20 -1.053000000000 -0.890000000000 2.033000000000
+ 3ALA CB 21 -0.982000000000 -1.088000000000 2.022000000000
+ 3ALA HB1 22 -0.974000000000 -1.181000000000 1.966000000000
+ 3ALA HB2 23 -1.031000000000 -1.118000000000 2.115000000000
+ 3ALA HB3 24 -0.879000000000 -1.056000000000 2.038000000000
+ 3ALA C 25 -0.995000000000 -0.918000000000 1.831000000000
+ 3ALA O 26 -0.983000000000 -0.990000000000 1.732000000000
+ 4ALA N 27 -0.950000000000 -0.793000000000 1.847000000000
+ 4ALA H 28 -0.967000000000 -0.746000000000 1.935000000000
+ 4ALA CA 29 -0.886000000000 -0.719000000000 1.741000000000
+ 4ALA HA 30 -0.852000000000 -0.785000000000 1.661000000000
+ 4ALA CB 31 -0.994000000000 -0.632000000000 1.677000000000
+ 4ALA HB1 32 -1.011000000000 -0.544000000000 1.738000000000
+ 4ALA HB2 33 -1.079000000000 -0.697000000000 1.653000000000
+ 4ALA HB3 34 -0.963000000000 -0.587000000000 1.582000000000
+ 4ALA C 35 -0.759000000000 -0.647000000000 1.785000000000
+ 4ALA O 36 -0.766000000000 -0.543000000000 1.851000000000
+ 5ALA N 37 -0.645000000000 -0.711000000000 1.760000000000
+ 5ALA H 38 -0.665000000000 -0.794000000000 1.706000000000
+ 5ALA CA 39 -0.512000000000 -0.693000000000 1.813000000000
+ 5ALA HA 40 -0.467000000000 -0.792000000000 1.804000000000
+ 5ALA CB 41 -0.436000000000 -0.588000000000 1.732000000000
+ 5ALA HB1 42 -0.469000000000 -0.484000000000 1.743000000000
+ 5ALA HB2 43 -0.436000000000 -0.623000000000 1.629000000000
+ 5ALA HB3 44 -0.332000000000 -0.579000000000 1.764000000000
+ 5ALA C 45 -0.503000000000 -0.659000000000 1.961000000000
+ 5ALA O 46 -0.453000000000 -0.741000000000 2.038000000000
+ 6ALA N 47 -0.545000000000 -0.540000000000 2.003000000000
+ 6ALA H 48 -0.586000000000 -0.482000000000 1.931000000000
+ 6ALA CA 49 -0.528000000000 -0.485000000000 2.137000000000
+ 6ALA HA 50 -0.511000000000 -0.569000000000 2.205000000000
+ 6ALA CB 51 -0.416000000000 -0.382000000000 2.142000000000
+ 6ALA HB1 52 -0.328000000000 -0.424000000000 2.094000000000
+ 6ALA HB2 53 -0.404000000000 -0.342000000000 2.242000000000
+ 6ALA HB3 54 -0.448000000000 -0.297000000000 2.081000000000
+ 6ALA C 55 -0.661000000000 -0.426000000000 2.182000000000
+ 6ALA O 56 -0.671000000000 -0.377000000000 2.294000000000
+ 7ALA N 57 -0.768000000000 -0.431000000000 2.103000000000
+ 7ALA H 58 -0.754000000000 -0.484000000000 2.018000000000
+ 7ALA CA 59 -0.905000000000 -0.403000000000 2.144000000000
+ 7ALA HA 60 -0.904000000000 -0.404000000000 2.253000000000
+ 7ALA CB 61 -0.944000000000 -0.264000000000 2.094000000000
+ 7ALA HB1 62 -0.870000000000 -0.189000000000 2.124000000000
+ 7ALA HB2 63 -1.039000000000 -0.247000000000 2.145000000000
+ 7ALA HB3 64 -0.944000000000 -0.267000000000 1.985000000000
+ 7ALA C 65 -0.996000000000 -0.513000000000 2.092000000000
+ 7ALA O 66 -0.951000000000 -0.625000000000 2.069000000000
+ 8ALA N 67 -1.125000000000 -0.490000000000 2.067000000000
+ 8ALA H 68 -1.166000000000 -0.398000000000 2.071000000000
+ 8ALA CA 69 -1.224000000000 -0.586000000000 2.022000000000
+ 8ALA HA 70 -1.162000000000 -0.666000000000 1.980000000000
+ 8ALA CB 71 -1.293000000000 -0.643000000000 2.146000000000
+ 8ALA HB1 72 -1.365000000000 -0.719000000000 2.115000000000
+ 8ALA HB2 73 -1.349000000000 -0.572000000000 2.206000000000
+ 8ALA HB3 74 -1.212000000000 -0.688000000000 2.204000000000
+ 8ALA C 75 -1.306000000000 -0.520000000000 1.913000000000
+ 8ALA O 76 -1.346000000000 -0.405000000000 1.929000000000
+ 9ALA N 77 -1.310000000000 -0.579000000000 1.793000000000
+ 9ALA H 78 -1.301000000000 -0.679000000000 1.803000000000
+ 9ALA CA 79 -1.367000000000 -0.524000000000 1.671000000000
+ 9ALA HA 80 -1.448000000000 -0.458000000000 1.703000000000
+ 9ALA CB 81 -1.268000000000 -0.430000000000 1.604000000000
+ 9ALA HB1 82 -1.303000000000 -0.369000000000 1.520000000000
+ 9ALA HB2 83 -1.186000000000 -0.494000000000 1.569000000000
+ 9ALA HB3 84 -1.228000000000 -0.359000000000 1.676000000000
+ 9ALA C 85 -1.431000000000 -0.623000000000 1.575000000000
+ 9ALA O 86 -1.532000000000 -0.590000000000 1.514000000000
+ 10ALA N 87 -1.381000000000 -0.746000000000 1.565000000000
+ 10ALA H 88 -1.308000000000 -0.771000000000 1.630000000000
+ 10ALA CA 89 -1.417000000000 -0.849000000000 1.469000000000
+ 10ALA HA 90 -1.517000000000 -0.824000000000 1.436000000000
+ 10ALA CB 91 -1.312000000000 -0.840000000000 1.358000000000
+ 10ALA HB1 92 -1.210000000000 -0.831000000000 1.396000000000
+ 10ALA HB2 93 -1.328000000000 -0.745000000000 1.307000000000
+ 10ALA HB3 94 -1.312000000000 -0.928000000000 1.294000000000
+ 10ALA C 95 -1.425000000000 -0.986000000000 1.536000000000
+ 10ALA O 96 -1.535000000000 -1.029000000000 1.569000000000
+ 11ALA N 97 -1.317000000000 -1.064000000000 1.536000000000
+ 11ALA H 98 -1.232000000000 -1.016000000000 1.508000000000
+ 11ALA CA 99 -1.321000000000 -1.203000000000 1.577000000000
+ 11ALA HA 100 -1.398000000000 -1.217000000000 1.653000000000
+ 11ALA CB 101 -1.344000000000 -1.289000000000 1.453000000000
+ 11ALA HB1 102 -1.261000000000 -1.275000000000 1.384000000000
+ 11ALA HB2 103 -1.440000000000 -1.269000000000 1.404000000000
+ 11ALA HB3 104 -1.343000000000 -1.396000000000 1.470000000000
+ 11ALA C 105 -1.188000000000 -1.238000000000 1.643000000000
+ 11ALA O 106 -1.182000000000 -1.247000000000 1.765000000000
+ 12ALA N 107 -1.085000000000 -1.285000000000 1.572000000000
+ 12ALA H 108 -1.102000000000 -1.284000000000 1.473000000000
+ 12ALA CA 109 -0.963000000000 -1.350000000000 1.614000000000
+ 12ALA HA 110 -0.942000000000 -1.307000000000 1.712000000000
+ 12ALA CB 111 -0.979000000000 -1.500000000000 1.633000000000
+ 12ALA HB1 112 -1.079000000000 -1.506000000000 1.676000000000
+ 12ALA HB2 113 -0.904000000000 -1.532000000000 1.705000000000
+ 12ALA HB3 114 -0.969000000000 -1.553000000000 1.538000000000
+ 12ALA C 115 -0.841000000000 -1.312000000000 1.530000000000
+ 12ALA O 116 -0.781000000000 -1.391000000000 1.458000000000
+ 13ALA N 117 -0.811000000000 -1.183000000000 1.538000000000
+ 13ALA H 118 -0.861000000000 -1.116000000000 1.595000000000
+ 13ALA CA 119 -0.689000000000 -1.136000000000 1.476000000000
+ 13ALA HA 120 -0.633000000000 -1.218000000000 1.429000000000
+ 13ALA CB 121 -0.704000000000 -1.034000000000 1.364000000000
+ 13ALA HB1 122 -0.611000000000 -1.006000000000 1.316000000000
+ 13ALA HB2 123 -0.757000000000 -0.947000000000 1.402000000000
+ 13ALA HB3 124 -0.759000000000 -1.090000000000 1.288000000000
+ 13ALA C 125 -0.608000000000 -1.070000000000 1.586000000000
+ 13ALA O 126 -0.634000000000 -0.959000000000 1.630000000000
+ 14NME N 127 -0.501000000000 -1.137000000000 1.632000000000
+ 14NME H 128 -0.480000000000 -1.229000000000 1.596000000000
+ 14NME CH3 129 -0.405000000000 -1.081000000000 1.724000000000
+ 14NME HH31 130 -0.330000000000 -1.159000000000 1.742000000000
+ 14NME HH32 131 -0.445000000000 -1.056000000000 1.822000000000
+ 14NME HH33 132 -0.351000000000 -0.995000000000 1.683000000000
+ 100.000000000000 100.000000000000 100.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
+Made with PLUMED t=0.150000
+132
+ 1ACE HH31 1 -0.559000000000 -1.143000000000 2.590000000000
+ 1ACE CH3 2 -0.542000000000 -1.233000000000 2.531000000000
+ 1ACE HH32 3 -0.439000000000 -1.267000000000 2.525000000000
+ 1ACE HH33 4 -0.595000000000 -1.312000000000 2.584000000000
+ 1ACE C 5 -0.611000000000 -1.201000000000 2.399000000000
+ 1ACE O 6 -0.594000000000 -1.272000000000 2.300000000000
+ 2ALA N 7 -0.682000000000 -1.088000000000 2.397000000000
+ 2ALA H 8 -0.663000000000 -1.047000000000 2.487000000000
+ 2ALA CA 9 -0.769000000000 -1.026000000000 2.298000000000
+ 2ALA HA 10 -0.751000000000 -1.054000000000 2.194000000000
+ 2ALA CB 11 -0.914000000000 -1.053000000000 2.335000000000
+ 2ALA HB1 12 -0.928000000000 -1.075000000000 2.441000000000
+ 2ALA HB2 13 -0.956000000000 -1.135000000000 2.276000000000
+ 2ALA HB3 14 -0.977000000000 -0.965000000000 2.322000000000
+ 2ALA C 15 -0.753000000000 -0.876000000000 2.314000000000
+ 2ALA O 16 -0.685000000000 -0.829000000000 2.404000000000
+ 3ALA N 17 -0.812000000000 -0.799000000000 2.221000000000
+ 3ALA H 18 -0.875000000000 -0.853000000000 2.163000000000
+ 3ALA CA 19 -0.813000000000 -0.655000000000 2.232000000000
+ 3ALA HA 20 -0.827000000000 -0.627000000000 2.336000000000
+ 3ALA CB 21 -0.685000000000 -0.591000000000 2.178000000000
+ 3ALA HB1 22 -0.679000000000 -0.583000000000 2.070000000000
+ 3ALA HB2 23 -0.597000000000 -0.639000000000 2.220000000000
+ 3ALA HB3 24 -0.680000000000 -0.491000000000 2.221000000000
+ 3ALA C 25 -0.934000000000 -0.593000000000 2.163000000000
+ 3ALA O 26 -0.993000000000 -0.658000000000 2.077000000000
+ 4ALA N 27 -0.966000000000 -0.469000000000 2.200000000000
+ 4ALA H 28 -0.898000000000 -0.423000000000 2.259000000000
+ 4ALA CA 29 -1.073000000000 -0.389000000000 2.144000000000
+ 4ALA HA 30 -1.169000000000 -0.423000000000 2.184000000000
+ 4ALA CB 31 -1.053000000000 -0.246000000000 2.194000000000
+ 4ALA HB1 32 -1.141000000000 -0.181000000000 2.195000000000
+ 4ALA HB2 33 -0.976000000000 -0.208000000000 2.127000000000
+ 4ALA HB3 34 -1.015000000000 -0.250000000000 2.296000000000
+ 4ALA C 35 -1.082000000000 -0.397000000000 1.993000000000
+ 4ALA O 36 -1.170000000000 -0.458000000000 1.933000000000
+ 5ALA N 37 -0.981000000000 -0.342000000000 1.925000000000
+ 5ALA H 38 -0.916000000000 -0.291000000000 1.983000000000
+ 5ALA CA 39 -0.959000000000 -0.347000000000 1.782000000000
+ 5ALA HA 40 -1.036000000000 -0.281000000000 1.740000000000
+ 5ALA CB 41 -0.822000000000 -0.291000000000 1.745000000000
+ 5ALA HB1 42 -0.809000000000 -0.271000000000 1.639000000000
+ 5ALA HB2 43 -0.744000000000 -0.363000000000 1.773000000000
+ 5ALA HB3 44 -0.816000000000 -0.191000000000 1.788000000000
+ 5ALA C 45 -0.967000000000 -0.484000000000 1.718000000000
+ 5ALA O 46 -1.040000000000 -0.505000000000 1.621000000000
+ 6ALA N 47 -0.894000000000 -0.581000000000 1.775000000000
+ 6ALA H 48 -0.829000000000 -0.572000000000 1.852000000000
+ 6ALA CA 49 -0.892000000000 -0.708000000000 1.705000000000
+ 6ALA HA 50 -0.873000000000 -0.700000000000 1.598000000000
+ 6ALA CB 51 -0.782000000000 -0.800000000000 1.756000000000
+ 6ALA HB1 52 -0.681000000000 -0.763000000000 1.740000000000
+ 6ALA HB2 53 -0.791000000000 -0.902000000000 1.717000000000
+ 6ALA HB3 54 -0.797000000000 -0.801000000000 1.864000000000
+ 6ALA C 55 -1.024000000000 -0.783000000000 1.707000000000
+ 6ALA O 56 -1.048000000000 -0.865000000000 1.618000000000
+ 7ALA N 57 -1.104000000000 -0.766000000000 1.812000000000
+ 7ALA H 58 -1.081000000000 -0.693000000000 1.878000000000
+ 7ALA CA 59 -1.239000000000 -0.818000000000 1.826000000000
+ 7ALA HA 60 -1.244000000000 -0.922000000000 1.795000000000
+ 7ALA CB 61 -1.272000000000 -0.819000000000 1.975000000000
+ 7ALA HB1 62 -1.302000000000 -0.723000000000 2.017000000000
+ 7ALA HB2 63 -1.182000000000 -0.843000000000 2.030000000000
+ 7ALA HB3 64 -1.359000000000 -0.885000000000 1.987000000000
+ 7ALA C 65 -1.334000000000 -0.741000000000 1.734000000000
+ 7ALA O 66 -1.418000000000 -0.803000000000 1.670000000000
+ 8ALA N 67 -1.309000000000 -0.610000000000 1.723000000000
+ 8ALA H 68 -1.238000000000 -0.566000000000 1.779000000000
+ 8ALA CA 69 -1.368000000000 -0.534000000000 1.614000000000
+ 8ALA HA 70 -1.476000000000 -0.546000000000 1.625000000000
+ 8ALA CB 71 -1.330000000000 -0.388000000000 1.634000000000
+ 8ALA HB1 72 -1.376000000000 -0.332000000000 1.552000000000
+ 8ALA HB2 73 -1.224000000000 -0.364000000000 1.626000000000
+ 8ALA HB3 74 -1.373000000000 -0.351000000000 1.727000000000
+ 8ALA C 75 -1.346000000000 -0.595000000000 1.477000000000
+ 8ALA O 76 -1.443000000000 -0.622000000000 1.406000000000
+ 9ALA N 77 -1.224000000000 -0.630000000000 1.436000000000
+ 9ALA H 78 -1.150000000000 -0.600000000000 1.498000000000
+ 9ALA CA 79 -1.179000000000 -0.689000000000 1.312000000000
+ 9ALA HA 80 -1.241000000000 -0.659000000000 1.227000000000
+ 9ALA CB 81 -1.042000000000 -0.626000000000 1.285000000000
+ 9ALA HB1 82 -1.013000000000 -0.637000000000 1.180000000000
+ 9ALA HB2 83 -0.966000000000 -0.672000000000 1.348000000000
+ 9ALA HB3 84 -1.027000000000 -0.519000000000 1.295000000000
+ 9ALA C 85 -1.177000000000 -0.841000000000 1.311000000000
+ 9ALA O 86 -1.100000000000 -0.907000000000 1.242000000000
+ 10ALA N 87 -1.275000000000 -0.897000000000 1.382000000000
+ 10ALA H 88 -1.332000000000 -0.838000000000 1.441000000000
+ 10ALA CA 89 -1.312000000000 -1.037000000000 1.391000000000
+ 10ALA HA 90 -1.387000000000 -1.032000000000 1.470000000000
+ 10ALA CB 91 -1.385000000000 -1.082000000000 1.265000000000
+ 10ALA HB1 92 -1.476000000000 -1.140000000000 1.280000000000
+ 10ALA HB2 93 -1.322000000000 -1.140000000000 1.198000000000
+ 10ALA HB3 94 -1.421000000000 -0.997000000000 1.207000000000
+ 10ALA C 95 -1.211000000000 -1.134000000000 1.453000000000
+ 10ALA O 96 -1.250000000000 -1.201000000000 1.549000000000
+ 11ALA N 97 -1.083000000000 -1.138000000000 1.417000000000
+ 11ALA H 98 -1.075000000000 -1.063000000000 1.349000000000
+ 11ALA CA 99 -0.963000000000 -1.202000000000 1.466000000000
+ 11ALA HA 100 -0.948000000000 -1.294000000000 1.409000000000
+ 11ALA CB 101 -0.847000000000 -1.114000000000 1.421000000000
+ 11ALA HB1 102 -0.845000000000 -1.022000000000 1.480000000000
+ 11ALA HB2 103 -0.853000000000 -1.086000000000 1.316000000000
+ 11ALA HB3 104 -0.747000000000 -1.152000000000 1.444000000000
+ 11ALA C 105 -0.969000000000 -1.225000000000 1.616000000000
+ 11ALA O 106 -0.934000000000 -1.330000000000 1.670000000000
+ 12ALA N 107 -1.014000000000 -1.127000000000 1.695000000000
+ 12ALA H 108 -1.035000000000 -1.045000000000 1.640000000000
+ 12ALA CA 109 -1.037000000000 -1.122000000000 1.838000000000
+ 12ALA HA 110 -1.078000000000 -1.023000000000 1.858000000000
+ 12ALA CB 111 -1.133000000000 -1.228000000000 1.889000000000
+ 12ALA HB1 112 -1.076000000000 -1.315000000000 1.921000000000
+ 12ALA HB2 113 -1.200000000000 -1.251000000000 1.806000000000
+ 12ALA HB3 114 -1.198000000000 -1.197000000000 1.971000000000
+ 12ALA C 115 -0.909000000000 -1.119000000000 1.920000000000
+ 12ALA O 116 -0.897000000000 -1.034000000000 2.008000000000
+ 13ALA N 117 -0.813000000000 -1.207000000000 1.891000000000
+ 13ALA H 118 -0.824000000000 -1.254000000000 1.802000000000
+ 13ALA CA 119 -0.693000000000 -1.224000000000 1.971000000000
+ 13ALA HA 120 -0.713000000000 -1.247000000000 2.075000000000
+ 13ALA CB 121 -0.640000000000 -1.362000000000 1.933000000000
+ 13ALA HB1 122 -0.561000000000 -1.394000000000 2.001000000000
+ 13ALA HB2 123 -0.599000000000 -1.344000000000 1.833000000000
+ 13ALA HB3 124 -0.710000000000 -1.445000000000 1.931000000000
+ 13ALA C 125 -0.592000000000 -1.111000000000 1.959000000000
+ 13ALA O 126 -0.578000000000 -1.059000000000 1.849000000000
+ 14NME N 127 -0.524000000000 -1.074000000000 2.068000000000
+ 14NME H 128 -0.509000000000 -1.137000000000 2.146000000000
+ 14NME CH3 129 -0.439000000000 -0.957000000000 2.073000000000
+ 14NME HH31 130 -0.371000000000 -0.964000000000 1.988000000000
+ 14NME HH32 131 -0.379000000000 -0.945000000000 2.164000000000
+ 14NME HH33 132 -0.505000000000 -0.872000000000 2.065000000000
+ 100.000000000000 100.000000000000 100.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
+Made with PLUMED t=0.200000
+132
+ 1ACE HH31 1 -0.645000000000 -0.326000000000 2.596000000000
+ 1ACE CH3 2 -0.672000000000 -0.294000000000 2.495000000000
+ 1ACE HH32 3 -0.746000000000 -0.215000000000 2.506000000000
+ 1ACE HH33 4 -0.579000000000 -0.270000000000 2.443000000000
+ 1ACE C 5 -0.739000000000 -0.407000000000 2.419000000000
+ 1ACE O 6 -0.781000000000 -0.390000000000 2.305000000000
+ 2ALA N 7 -0.754000000000 -0.521000000000 2.488000000000
+ 2ALA H 8 -0.697000000000 -0.516000000000 2.571000000000
+ 2ALA CA 9 -0.804000000000 -0.652000000000 2.453000000000
+ 2ALA HA 10 -0.729000000000 -0.696000000000 2.387000000000
+ 2ALA CB 11 -0.801000000000 -0.739000000000 2.579000000000
+ 2ALA HB1 12 -0.843000000000 -0.685000000000 2.664000000000
+ 2ALA HB2 13 -0.699000000000 -0.764000000000 2.609000000000
+ 2ALA HB3 14 -0.845000000000 -0.838000000000 2.572000000000
+ 2ALA C 15 -0.937000000000 -0.642000000000 2.379000000000
+ 2ALA O 16 -0.943000000000 -0.692000000000 2.267000000000
+ 3ALA N 17 -1.034000000000 -0.561000000000 2.423000000000
+ 3ALA H 18 -1.026000000000 -0.535000000000 2.520000000000
+ 3ALA CA 19 -1.159000000000 -0.534000000000 2.354000000000
+ 3ALA HA 20 -1.216000000000 -0.627000000000 2.351000000000
+ 3ALA CB 21 -1.237000000000 -0.429000000000 2.432000000000
+ 3ALA HB1 22 -1.256000000000 -0.477000000000 2.528000000000
+ 3ALA HB2 23 -1.330000000000 -0.397000000000 2.385000000000
+ 3ALA HB3 24 -1.175000000000 -0.341000000000 2.452000000000
+ 3ALA C 25 -1.135000000000 -0.494000000000 2.209000000000
+ 3ALA O 26 -1.206000000000 -0.551000000000 2.127000000000
+ 4ALA N 27 -1.049000000000 -0.399000000000 2.171000000000
+ 4ALA H 28 -0.983000000000 -0.362000000000 2.237000000000
+ 4ALA CA 29 -1.044000000000 -0.348000000000 2.035000000000
+ 4ALA HA 30 -1.147000000000 -0.341000000000 1.999000000000
+ 4ALA CB 31 -0.986000000000 -0.207000000000 2.036000000000
+ 4ALA HB1 32 -0.991000000000 -0.175000000000 1.932000000000
+ 4ALA HB2 33 -0.878000000000 -0.198000000000 2.053000000000
+ 4ALA HB3 34 -1.049000000000 -0.150000000000 2.105000000000
+ 4ALA C 35 -0.969000000000 -0.441000000000 1.941000000000
+ 4ALA O 36 -1.002000000000 -0.463000000000 1.824000000000
+ 5ALA N 37 -0.869000000000 -0.506000000000 2.001000000000
+ 5ALA H 38 -0.868000000000 -0.488000000000 2.100000000000
+ 5ALA CA 39 -0.803000000000 -0.625000000000 1.953000000000
+ 5ALA HA 40 -0.750000000000 -0.584000000000 1.867000000000
+ 5ALA CB 41 -0.701000000000 -0.667000000000 2.059000000000
+ 5ALA HB1 42 -0.728000000000 -0.643000000000 2.161000000000
+ 5ALA HB2 43 -0.606000000000 -0.615000000000 2.049000000000
+ 5ALA HB3 44 -0.679000000000 -0.774000000000 2.054000000000
+ 5ALA C 45 -0.889000000000 -0.739000000000 1.899000000000
+ 5ALA O 46 -0.892000000000 -0.760000000000 1.778000000000
+ 6ALA N 47 -0.973000000000 -0.797000000000 1.984000000000
+ 6ALA H 48 -0.958000000000 -0.766000000000 2.079000000000
+ 6ALA CA 49 -1.086000000000 -0.885000000000 1.960000000000
+ 6ALA HA 50 -1.044000000000 -0.981000000000 1.928000000000
+ 6ALA CB 51 -1.166000000000 -0.906000000000 2.088000000000
+ 6ALA HB1 52 -1.103000000000 -0.940000000000 2.170000000000
+ 6ALA HB2 53 -1.236000000000 -0.987000000000 2.067000000000
+ 6ALA HB3 54 -1.213000000000 -0.810000000000 2.111000000000
+ 6ALA C 55 -1.173000000000 -0.830000000000 1.848000000000
+ 6ALA O 56 -1.206000000000 -0.903000000000 1.756000000000
+ 7ALA N 57 -1.214000000000 -0.703000000000 1.854000000000
+ 7ALA H 58 -1.194000000000 -0.651000000000 1.938000000000
+ 7ALA CA 59 -1.312000000000 -0.650000000000 1.761000000000
+ 7ALA HA 60 -1.396000000000 -0.717000000000 1.746000000000
+ 7ALA CB 61 -1.360000000000 -0.520000000000 1.824000000000
+ 7ALA HB1 62 -1.279000000000 -0.447000000000 1.824000000000
+ 7ALA HB2 63 -1.400000000000 -0.531000000000 1.924000000000
+ 7ALA HB3 64 -1.440000000000 -0.484000000000 1.759000000000
+ 7ALA C 65 -1.261000000000 -0.619000000000 1.621000000000
+ 7ALA O 66 -1.344000000000 -0.585000000000 1.537000000000
+ 8ALA N 67 -1.132000000000 -0.644000000000 1.597000000000
+ 8ALA H 68 -1.085000000000 -0.659000000000 1.685000000000
+ 8ALA CA 69 -1.057000000000 -0.615000000000 1.476000000000
+ 8ALA HA 70 -1.130000000000 -0.580000000000 1.403000000000
+ 8ALA CB 71 -0.969000000000 -0.493000000000 1.502000000000
+ 8ALA HB1 72 -0.894000000000 -0.519000000000 1.577000000000
+ 8ALA HB2 73 -1.031000000000 -0.408000000000 1.530000000000
+ 8ALA HB3 74 -0.921000000000 -0.475000000000 1.406000000000
+ 8ALA C 75 -0.970000000000 -0.727000000000 1.419000000000
+ 8ALA O 76 -0.986000000000 -0.754000000000 1.300000000000
+ 9ALA N 77 -0.876000000000 -0.781000000000 1.496000000000
+ 9ALA H 78 -0.865000000000 -0.761000000000 1.594000000000
+ 9ALA CA 79 -0.771000000000 -0.857000000000 1.430000000000
+ 9ALA HA 80 -0.812000000000 -0.909000000000 1.344000000000
+ 9ALA CB 81 -0.672000000000 -0.746000000000 1.397000000000
+ 9ALA HB1 82 -0.575000000000 -0.780000000000 1.361000000000
+ 9ALA HB2 83 -0.650000000000 -0.677000000000 1.479000000000
+ 9ALA HB3 84 -0.711000000000 -0.687000000000 1.314000000000
+ 9ALA C 85 -0.706000000000 -0.962000000000 1.518000000000
+ 9ALA O 86 -0.619000000000 -1.034000000000 1.468000000000
+ 10ALA N 87 -0.746000000000 -0.977000000000 1.645000000000
+ 10ALA H 88 -0.822000000000 -0.919000000000 1.677000000000
+ 10ALA CA 89 -0.696000000000 -1.082000000000 1.731000000000
+ 10ALA HA 90 -0.593000000000 -1.106000000000 1.702000000000
+ 10ALA CB 91 -0.695000000000 -1.040000000000 1.877000000000
+ 10ALA HB1 92 -0.636000000000 -0.951000000000 1.900000000000
+ 10ALA HB2 93 -0.665000000000 -1.120000000000 1.945000000000
+ 10ALA HB3 94 -0.795000000000 -1.005000000000 1.901000000000
+ 10ALA C 95 -0.776000000000 -1.209000000000 1.710000000000
+ 10ALA O 96 -0.868000000000 -1.235000000000 1.788000000000
+ 11ALA N 97 -0.756000000000 -1.270000000000 1.593000000000
+ 11ALA H 98 -0.681000000000 -1.232000000000 1.538000000000
+ 11ALA CA 99 -0.838000000000 -1.380000000000 1.544000000000
+ 11ALA HA 100 -0.795000000000 -1.423000000000 1.453000000000
+ 11ALA CB 101 -0.844000000000 -1.502000000000 1.635000000000
+ 11ALA HB1 102 -0.743000000000 -1.538000000000 1.653000000000
+ 11ALA HB2 103 -0.895000000000 -1.587000000000 1.590000000000
+ 11ALA HB3 104 -0.897000000000 -1.475000000000 1.726000000000
+ 11ALA C 105 -0.976000000000 -1.338000000000 1.497000000000
+ 11ALA O 106 -1.010000000000 -1.342000000000 1.379000000000
+ 12ALA N 107 -1.061000000000 -1.294000000000 1.590000000000
+ 12ALA H 108 -1.016000000000 -1.257000000000 1.673000000000
+ 12ALA CA 109 -1.196000000000 -1.243000000000 1.578000000000
+ 12ALA HA 110 -1.248000000000 -1.322000000000 1.524000000000
+ 12ALA CB 111 -1.263000000000 -1.229000000000 1.715000000000
+ 12ALA HB1 112 -1.258000000000 -1.327000000000 1.761000000000
+ 12ALA HB2 113 -1.365000000000 -1.193000000000 1.698000000000
+ 12ALA HB3 114 -1.215000000000 -1.150000000000 1.773000000000
+ 12ALA C 115 -1.205000000000 -1.116000000000 1.494000000000
+ 12ALA O 116 -1.105000000000 -1.045000000000 1.484000000000
+ 13ALA N 117 -1.326000000000 -1.081000000000 1.452000000000
+ 13ALA H 118 -1.405000000000 -1.135000000000 1.483000000000
+ 13ALA CA 119 -1.359000000000 -0.946000000000 1.410000000000
+ 13ALA HA 120 -1.300000000000 -0.875000000000 1.467000000000
+ 13ALA CB 121 -1.327000000000 -0.938000000000 1.261000000000
+ 13ALA HB1 122 -1.336000000000 -0.833000000000 1.231000000000
+ 13ALA HB2 123 -1.408000000000 -0.976000000000 1.199000000000
+ 13ALA HB3 124 -1.234000000000 -0.985000000000 1.229000000000
+ 13ALA C 125 -1.507000000000 -0.921000000000 1.436000000000
+ 13ALA O 126 -1.589000000000 -1.010000000000 1.411000000000
+ 14NME N 127 -1.550000000000 -0.804000000000 1.482000000000
+ 14NME H 128 -1.483000000000 -0.728000000000 1.489000000000
+ 14NME CH3 129 -1.687000000000 -0.774000000000 1.518000000000
+ 14NME HH31 130 -1.741000000000 -0.849000000000 1.576000000000
+ 14NME HH32 131 -1.748000000000 -0.786000000000 1.428000000000
+ 14NME HH33 132 -1.694000000000 -0.671000000000 1.554000000000
+ 100.000000000000 100.000000000000 100.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
+Made with PLUMED t=0.250000
+132
+ 1ACE HH31 1 -0.265000000000 -0.942000000000 2.309000000000
+ 1ACE CH3 2 -0.191000000000 -0.877000000000 2.263000000000
+ 1ACE HH32 3 -0.091000000000 -0.897000000000 2.303000000000
+ 1ACE HH33 4 -0.196000000000 -0.896000000000 2.156000000000
+ 1ACE C 5 -0.220000000000 -0.729000000000 2.280000000000
+ 1ACE O 6 -0.308000000000 -0.688000000000 2.356000000000
+ 2ALA N 7 -0.147000000000 -0.647000000000 2.204000000000
+ 2ALA H 8 -0.071000000000 -0.691000000000 2.155000000000
+ 2ALA CA 9 -0.157000000000 -0.505000000000 2.176000000000
+ 2ALA HA 10 -0.129000000000 -0.445000000000 2.263000000000
+ 2ALA CB 11 -0.045000000000 -0.471000000000 2.078000000000
+ 2ALA HB1 12 -0.028000000000 -0.364000000000 2.080000000000
+ 2ALA HB2 13 -0.068000000000 -0.494000000000 1.974000000000
+ 2ALA HB3 14 0.054000000000 -0.507000000000 2.107000000000
+ 2ALA C 15 -0.296000000000 -0.458000000000 2.137000000000
+ 2ALA O 16 -0.349000000000 -0.361000000000 2.190000000000
+ 3ALA N 17 -0.362000000000 -0.534000000000 2.049000000000
+ 3ALA H 18 -0.324000000000 -0.625000000000 2.025000000000
+ 3ALA CA 19 -0.493000000000 -0.503000000000 1.995000000000
+ 3ALA HA 20 -0.546000000000 -0.426000000000 2.051000000000
+ 3ALA CB 21 -0.466000000000 -0.445000000000 1.856000000000
+ 3ALA HB1 22 -0.427000000000 -0.343000000000 1.862000000000
+ 3ALA HB2 23 -0.556000000000 -0.455000000000 1.794000000000
+ 3ALA HB3 24 -0.387000000000 -0.496000000000 1.801000000000
+ 3ALA C 25 -0.575000000000 -0.631000000000 1.995000000000
+ 3ALA O 26 -0.524000000000 -0.740000000000 1.970000000000
+ 4ALA N 27 -0.705000000000 -0.616000000000 2.018000000000
+ 4ALA H 28 -0.750000000000 -0.526000000000 2.009000000000
+ 4ALA CA 29 -0.804000000000 -0.722000000000 2.011000000000
+ 4ALA HA 30 -0.779000000000 -0.787000000000 1.927000000000
+ 4ALA CB 31 -0.793000000000 -0.815000000000 2.132000000000
+ 4ALA HB1 32 -0.869000000000 -0.893000000000 2.122000000000
+ 4ALA HB2 33 -0.829000000000 -0.763000000000 2.221000000000
+ 4ALA HB3 34 -0.691000000000 -0.852000000000 2.138000000000
+ 4ALA C 35 -0.945000000000 -0.671000000000 1.990000000000
+ 4ALA O 36 -0.978000000000 -0.561000000000 2.034000000000
+ 5ALA N 37 -1.036000000000 -0.754000000000 1.938000000000
+ 5ALA H 38 -1.006000000000 -0.843000000000 1.900000000000
+ 5ALA CA 39 -1.177000000000 -0.724000000000 1.928000000000
+ 5ALA HA 40 -1.211000000000 -0.678000000000 2.021000000000
+ 5ALA CB 41 -1.220000000000 -0.618000000000 1.826000000000
+ 5ALA HB1 42 -1.183000000000 -0.518000000000 1.849000000000
+ 5ALA HB2 43 -1.327000000000 -0.598000000000 1.820000000000
+ 5ALA HB3 44 -1.178000000000 -0.651000000000 1.732000000000
+ 5ALA C 45 -1.260000000000 -0.848000000000 1.897000000000
+ 5ALA O 46 -1.204000000000 -0.935000000000 1.831000000000
+ 6ALA N 47 -1.380000000000 -0.861000000000 1.955000000000
+ 6ALA H 48 -1.422000000000 -0.777000000000 1.994000000000
+ 6ALA CA 49 -1.473000000000 -0.968000000000 1.927000000000
+ 6ALA HA 50 -1.451000000000 -1.006000000000 1.827000000000
+ 6ALA CB 51 -1.451000000000 -1.087000000000 2.021000000000
+ 6ALA HB1 52 -1.467000000000 -1.068000000000 2.127000000000
+ 6ALA HB2 53 -1.349000000000 -1.119000000000 2.001000000000
+ 6ALA HB3 54 -1.517000000000 -1.171000000000 1.998000000000
+ 6ALA C 55 -1.615000000000 -0.915000000000 1.929000000000
+ 6ALA O 56 -1.648000000000 -0.817000000000 1.995000000000
+ 7ALA N 57 -1.698000000000 -0.980000000000 1.847000000000
+ 7ALA H 58 -1.650000000000 -1.048000000000 1.788000000000
+ 7ALA CA 59 -1.822000000000 -0.947000000000 1.780000000000
+ 7ALA HA 60 -1.841000000000 -1.039000000000 1.726000000000
+ 7ALA CB 61 -1.936000000000 -0.942000000000 1.881000000000
+ 7ALA HB1 62 -1.917000000000 -1.012000000000 1.963000000000
+ 7ALA HB2 63 -2.028000000000 -0.972000000000 1.830000000000
+ 7ALA HB3 64 -1.948000000000 -0.843000000000 1.924000000000
+ 7ALA C 65 -1.813000000000 -0.836000000000 1.676000000000
+ 7ALA O 66 -1.869000000000 -0.851000000000 1.568000000000
+ 8ALA N 67 -1.746000000000 -0.724000000000 1.708000000000
+ 8ALA H 68 -1.718000000000 -0.717000000000 1.805000000000
+ 8ALA CA 69 -1.713000000000 -0.618000000000 1.616000000000
+ 8ALA HA 70 -1.799000000000 -0.598000000000 1.551000000000
+ 8ALA CB 71 -1.687000000000 -0.486000000000 1.688000000000
+ 8ALA HB1 72 -1.769000000000 -0.456000000000 1.754000000000
+ 8ALA HB2 73 -1.666000000000 -0.407000000000 1.616000000000
+ 8ALA HB3 74 -1.605000000000 -0.504000000000 1.757000000000
+ 8ALA C 75 -1.598000000000 -0.667000000000 1.528000000000
+ 8ALA O 76 -1.483000000000 -0.636000000000 1.557000000000
+ 9ALA N 77 -1.629000000000 -0.758000000000 1.435000000000
+ 9ALA H 78 -1.728000000000 -0.779000000000 1.435000000000
+ 9ALA CA 79 -1.543000000000 -0.860000000000 1.379000000000
+ 9ALA HA 80 -1.603000000000 -0.934000000000 1.326000000000
+ 9ALA CB 81 -1.451000000000 -0.803000000000 1.272000000000
+ 9ALA HB1 82 -1.363000000000 -0.758000000000 1.317000000000
+ 9ALA HB2 83 -1.503000000000 -0.739000000000 1.201000000000
+ 9ALA HB3 84 -1.409000000000 -0.886000000000 1.214000000000
+ 9ALA C 85 -1.482000000000 -0.951000000000 1.485000000000
+ 9ALA O 86 -1.537000000000 -0.965000000000 1.594000000000
+ 10ALA N 87 -1.367000000000 -1.012000000000 1.458000000000
+ 10ALA H 88 -1.329000000000 -1.008000000000 1.364000000000
+ 10ALA CA 89 -1.294000000000 -1.104000000000 1.543000000000
+ 10ALA HA 90 -1.301000000000 -1.096000000000 1.652000000000
+ 10ALA CB 91 -1.358000000000 -1.239000000000 1.510000000000
+ 10ALA HB1 92 -1.349000000000 -1.253000000000 1.402000000000
+ 10ALA HB2 93 -1.465000000000 -1.241000000000 1.531000000000
+ 10ALA HB3 94 -1.313000000000 -1.323000000000 1.562000000000
+ 10ALA C 95 -1.147000000000 -1.095000000000 1.507000000000
+ 10ALA O 96 -1.106000000000 -1.138000000000 1.399000000000
+ 11ALA N 97 -1.067000000000 -1.037000000000 1.597000000000
+ 11ALA H 98 -1.108000000000 -1.022000000000 1.688000000000
+ 11ALA CA 99 -0.930000000000 -1.000000000000 1.570000000000
+ 11ALA HA 100 -0.895000000000 -1.065000000000 1.490000000000
+ 11ALA CB 101 -0.931000000000 -0.858000000000 1.513000000000
+ 11ALA HB1 102 -0.829000000000 -0.825000000000 1.499000000000
+ 11ALA HB2 103 -0.975000000000 -0.793000000000 1.589000000000
+ 11ALA HB3 104 -0.994000000000 -0.847000000000 1.424000000000
+ 11ALA C 105 -0.842000000000 -1.008000000000 1.694000000000
+ 11ALA O 106 -0.891000000000 -0.993000000000 1.806000000000
+ 12ALA N 107 -0.711000000000 -1.030000000000 1.681000000000
+ 12ALA H 108 -0.671000000000 -1.052000000000 1.591000000000
+ 12ALA CA 109 -0.616000000000 -1.022000000000 1.791000000000
+ 12ALA HA 110 -0.648000000000 -0.936000000000 1.849000000000
+ 12ALA CB 111 -0.612000000000 -1.146000000000 1.879000000000
+ 12ALA HB1 112 -0.691000000000 -1.151000000000 1.954000000000
+ 12ALA HB2 113 -0.530000000000 -1.139000000000 1.951000000000
+ 12ALA HB3 114 -0.617000000000 -1.237000000000 1.819000000000
+ 12ALA C 115 -0.471000000000 -1.009000000000 1.747000000000
+ 12ALA O 116 -0.438000000000 -1.073000000000 1.648000000000
+ 13ALA N 117 -0.390000000000 -0.924000000000 1.811000000000
+ 13ALA H 118 -0.421000000000 -0.858000000000 1.881000000000
+ 13ALA CA 119 -0.262000000000 -0.887000000000 1.754000000000
+ 13ALA HA 120 -0.215000000000 -0.976000000000 1.712000000000
+ 13ALA CB 121 -0.288000000000 -0.775000000000 1.654000000000
+ 13ALA HB1 122 -0.299000000000 -0.674000000000 1.692000000000
+ 13ALA HB2 123 -0.375000000000 -0.802000000000 1.593000000000
+ 13ALA HB3 124 -0.204000000000 -0.772000000000 1.584000000000
+ 13ALA C 125 -0.170000000000 -0.836000000000 1.863000000000
+ 13ALA O 126 -0.204000000000 -0.760000000000 1.953000000000
+ 14NME N 127 -0.042000000000 -0.871000000000 1.844000000000
+ 14NME H 128 -0.026000000000 -0.932000000000 1.766000000000
+ 14NME CH3 129 0.070000000000 -0.836000000000 1.929000000000
+ 14NME HH31 130 0.138000000000 -0.776000000000 1.869000000000
+ 14NME HH32 131 0.114000000000 -0.917000000000 1.988000000000
+ 14NME HH33 132 0.042000000000 -0.771000000000 2.011000000000
+ 100.000000000000 100.000000000000 100.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
+Made with PLUMED t=0.300000
+132
+ 1ACE HH31 1 -1.224000000000 -0.701000000000 1.570000000000
+ 1ACE CH3 2 -1.211000000000 -0.800000000000 1.526000000000
+ 1ACE HH32 3 -1.288000000000 -0.872000000000 1.553000000000
+ 1ACE HH33 4 -1.210000000000 -0.786000000000 1.418000000000
+ 1ACE C 5 -1.076000000000 -0.857000000000 1.569000000000
+ 1ACE O 6 -1.036000000000 -0.960000000000 1.517000000000
+ 2ALA N 7 -0.996000000000 -0.794000000000 1.656000000000
+ 2ALA H 8 -1.048000000000 -0.715000000000 1.692000000000
+ 2ALA CA 9 -0.855000000000 -0.814000000000 1.681000000000
+ 2ALA HA 10 -0.830000000000 -0.900000000000 1.619000000000
+ 2ALA CB 11 -0.773000000000 -0.695000000000 1.632000000000
+ 2ALA HB1 12 -0.801000000000 -0.612000000000 1.697000000000
+ 2ALA HB2 13 -0.803000000000 -0.670000000000 1.531000000000
+ 2ALA HB3 14 -0.667000000000 -0.720000000000 1.629000000000
+ 2ALA C 15 -0.839000000000 -0.850000000000 1.827000000000
+ 2ALA O 16 -0.761000000000 -0.789000000000 1.900000000000
+ 3ALA N 17 -0.908000000000 -0.956000000000 1.871000000000
+ 3ALA H 18 -0.984000000000 -0.997000000000 1.819000000000
+ 3ALA CA 19 -0.916000000000 -0.995000000000 2.011000000000
+ 3ALA HA 20 -0.993000000000 -1.072000000000 2.017000000000
+ 3ALA CB 21 -0.782000000000 -1.058000000000 2.049000000000
+ 3ALA HB1 22 -0.747000000000 -1.140000000000 1.986000000000
+ 3ALA HB2 23 -0.799000000000 -1.102000000000 2.147000000000
+ 3ALA HB3 24 -0.700000000000 -0.986000000000 2.046000000000
+ 3ALA C 25 -0.971000000000 -0.893000000000 2.111000000000
+ 3ALA O 26 -1.074000000000 -0.915000000000 2.173000000000
+ 4ALA N 27 -0.879000000000 -0.801000000000 2.142000000000
+ 4ALA H 28 -0.807000000000 -0.799000000000 2.071000000000
+ 4ALA CA 29 -0.897000000000 -0.689000000000 2.231000000000
+ 4ALA HA 30 -0.996000000000 -0.685000000000 2.278000000000
+ 4ALA CB 31 -0.801000000000 -0.712000000000 2.347000000000
+ 4ALA HB1 32 -0.787000000000 -0.622000000000 2.407000000000
+ 4ALA HB2 33 -0.702000000000 -0.744000000000 2.314000000000
+ 4ALA HB3 34 -0.843000000000 -0.784000000000 2.417000000000
+ 4ALA C 35 -0.873000000000 -0.553000000000 2.166000000000
+ 4ALA O 36 -0.926000000000 -0.452000000000 2.211000000000
+ 5ALA N 37 -0.796000000000 -0.546000000000 2.057000000000
+ 5ALA H 38 -0.792000000000 -0.631000000000 2.004000000000
+ 5ALA CA 39 -0.722000000000 -0.428000000000 2.017000000000
+ 5ALA HA 40 -0.658000000000 -0.397000000000 2.100000000000
+ 5ALA CB 41 -0.617000000000 -0.483000000000 1.921000000000
+ 5ALA HB1 42 -0.545000000000 -0.538000000000 1.981000000000
+ 5ALA HB2 43 -0.563000000000 -0.397000000000 1.881000000000
+ 5ALA HB3 44 -0.648000000000 -0.546000000000 1.838000000000
+ 5ALA C 45 -0.814000000000 -0.323000000000 1.957000000000
+ 5ALA O 46 -0.829000000000 -0.316000000000 1.835000000000
+ 6ALA N 47 -0.886000000000 -0.243000000000 2.035000000000
+ 6ALA H 48 -0.880000000000 -0.255000000000 2.135000000000
+ 6ALA CA 49 -0.991000000000 -0.149000000000 1.999000000000
+ 6ALA HA 50 -1.021000000000 -0.097000000000 2.090000000000
+ 6ALA CB 51 -0.949000000000 -0.044000000000 1.898000000000
+ 6ALA HB1 52 -0.921000000000 -0.097000000000 1.807000000000
+ 6ALA HB2 53 -0.864000000000 0.008000000000 1.942000000000
+ 6ALA HB3 54 -1.037000000000 0.018000000000 1.878000000000
+ 6ALA C 55 -1.115000000000 -0.223000000000 1.950000000000
+ 6ALA O 56 -1.227000000000 -0.186000000000 1.986000000000
+ 7ALA N 57 -1.100000000000 -0.333000000000 1.877000000000
+ 7ALA H 58 -1.006000000000 -0.352000000000 1.844000000000
+ 7ALA CA 59 -1.206000000000 -0.414000000000 1.820000000000
+ 7ALA HA 60 -1.304000000000 -0.366000000000 1.824000000000
+ 7ALA CB 61 -1.161000000000 -0.427000000000 1.675000000000
+ 7ALA HB1 62 -1.082000000000 -0.498000000000 1.652000000000
+ 7ALA HB2 63 -1.130000000000 -0.334000000000 1.627000000000
+ 7ALA HB3 64 -1.241000000000 -0.461000000000 1.608000000000
+ 7ALA C 65 -1.213000000000 -0.549000000000 1.890000000000
+ 7ALA O 66 -1.135000000000 -0.635000000000 1.851000000000
+ 8ALA N 67 -1.297000000000 -0.568000000000 1.992000000000
+ 8ALA H 68 -1.357000000000 -0.489000000000 2.011000000000
+ 8ALA CA 69 -1.295000000000 -0.671000000000 2.093000000000
+ 8ALA HA 70 -1.197000000000 -0.719000000000 2.096000000000
+ 8ALA CB 71 -1.313000000000 -0.603000000000 2.229000000000
+ 8ALA HB1 72 -1.417000000000 -0.572000000000 2.228000000000
+ 8ALA HB2 73 -1.247000000000 -0.517000000000 2.230000000000
+ 8ALA HB3 74 -1.282000000000 -0.674000000000 2.306000000000
+ 8ALA C 75 -1.394000000000 -0.779000000000 2.054000000000
+ 8ALA O 76 -1.506000000000 -0.784000000000 2.105000000000
+ 9ALA N 77 -1.349000000000 -0.861000000000 1.958000000000
+ 9ALA H 78 -1.259000000000 -0.837000000000 1.918000000000
+ 9ALA CA 79 -1.399000000000 -0.990000000000 1.917000000000
+ 9ALA HA 80 -1.414000000000 -1.050000000000 2.007000000000
+ 9ALA CB 81 -1.536000000000 -0.972000000000 1.853000000000
+ 9ALA HB1 82 -1.607000000000 -0.937000000000 1.928000000000
+ 9ALA HB2 83 -1.574000000000 -1.071000000000 1.826000000000
+ 9ALA HB3 84 -1.536000000000 -0.908000000000 1.765000000000
+ 9ALA C 85 -1.290000000000 -1.058000000000 1.836000000000
+ 9ALA O 86 -1.173000000000 -1.019000000000 1.831000000000
+ 10ALA N 87 -1.334000000000 -1.164000000000 1.766000000000
+ 10ALA H 88 -1.430000000000 -1.187000000000 1.748000000000
+ 10ALA CA 89 -1.243000000000 -1.246000000000 1.689000000000
+ 10ALA HA 90 -1.141000000000 -1.208000000000 1.695000000000
+ 10ALA CB 91 -1.240000000000 -1.384000000000 1.754000000000
+ 10ALA HB1 92 -1.186000000000 -1.396000000000 1.848000000000
+ 10ALA HB2 93 -1.191000000000 -1.452000000000 1.686000000000
+ 10ALA HB3 94 -1.339000000000 -1.427000000000 1.770000000000
+ 10ALA C 95 -1.286000000000 -1.247000000000 1.543000000000
+ 10ALA O 96 -1.394000000000 -1.297000000000 1.514000000000
+ 11ALA N 97 -1.195000000000 -1.200000000000 1.458000000000
+ 11ALA H 98 -1.120000000000 -1.143000000000 1.496000000000
+ 11ALA CA 99 -1.194000000000 -1.228000000000 1.316000000000
+ 11ALA HA 100 -1.223000000000 -1.333000000000 1.306000000000
+ 11ALA CB 101 -1.290000000000 -1.135000000000 1.242000000000
+ 11ALA HB1 102 -1.392000000000 -1.166000000000 1.263000000000
+ 11ALA HB2 103 -1.264000000000 -1.132000000000 1.136000000000
+ 11ALA HB3 104 -1.280000000000 -1.032000000000 1.275000000000
+ 11ALA C 105 -1.049000000000 -1.215000000000 1.270000000000
+ 11ALA O 106 -0.997000000000 -1.318000000000 1.228000000000
+ 12ALA N 107 -0.994000000000 -1.093000000000 1.267000000000
+ 12ALA H 108 -1.051000000000 -1.026000000000 1.316000000000
+ 12ALA CA 109 -0.856000000000 -1.063000000000 1.235000000000
+ 12ALA HA 110 -0.833000000000 -1.082000000000 1.130000000000
+ 12ALA CB 111 -0.825000000000 -0.915000000000 1.250000000000
+ 12ALA HB1 112 -0.818000000000 -0.886000000000 1.354000000000
+ 12ALA HB2 113 -0.895000000000 -0.846000000000 1.201000000000
+ 12ALA HB3 114 -0.732000000000 -0.879000000000 1.205000000000
+ 12ALA C 115 -0.756000000000 -1.136000000000 1.325000000000
+ 12ALA O 116 -0.652000000000 -1.180000000000 1.278000000000
+ 13ALA N 117 -0.791000000000 -1.146000000000 1.454000000000
+ 13ALA H 118 -0.879000000000 -1.106000000000 1.484000000000
+ 13ALA CA 119 -0.705000000000 -1.188000000000 1.563000000000
+ 13ALA HA 120 -0.756000000000 -1.155000000000 1.654000000000
+ 13ALA CB 121 -0.709000000000 -1.341000000000 1.567000000000
+ 13ALA HB1 122 -0.690000000000 -1.383000000000 1.469000000000
+ 13ALA HB2 123 -0.800000000000 -1.376000000000 1.615000000000
+ 13ALA HB3 124 -0.628000000000 -1.370000000000 1.635000000000
+ 13ALA C 125 -0.572000000000 -1.116000000000 1.551000000000
+ 13ALA O 126 -0.563000000000 -0.994000000000 1.561000000000
+ 14NME N 127 -0.463000000000 -1.194000000000 1.540000000000
+ 14NME H 128 -0.486000000000 -1.291000000000 1.526000000000
+ 14NME CH3 129 -0.331000000000 -1.137000000000 1.531000000000
+ 14NME HH31 130 -0.296000000000 -1.121000000000 1.429000000000
+ 14NME HH32 131 -0.263000000000 -1.215000000000 1.564000000000
+ 14NME HH33 132 -0.327000000000 -1.051000000000 1.598000000000
+ 100.000000000000 100.000000000000 100.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
+Made with PLUMED t=0.350000
+132
+ 1ACE HH31 1 -0.326000000000 -0.921000000000 2.604000000000
+ 1ACE CH3 2 -0.404000000000 -0.848000000000 2.581000000000
+ 1ACE HH32 3 -0.482000000000 -0.848000000000 2.657000000000
+ 1ACE HH33 4 -0.367000000000 -0.745000000000 2.579000000000
+ 1ACE C 5 -0.470000000000 -0.880000000000 2.448000000000
+ 1ACE O 6 -0.409000000000 -0.934000000000 2.357000000000
+ 2ALA N 7 -0.603000000000 -0.866000000000 2.443000000000
+ 2ALA H 8 -0.638000000000 -0.830000000000 2.530000000000
+ 2ALA CA 9 -0.679000000000 -0.868000000000 2.319000000000
+ 2ALA HA 10 -0.651000000000 -0.951000000000 2.254000000000
+ 2ALA CB 11 -0.827000000000 -0.891000000000 2.347000000000
+ 2ALA HB1 12 -0.881000000000 -0.842000000000 2.267000000000
+ 2ALA HB2 13 -0.862000000000 -0.854000000000 2.444000000000
+ 2ALA HB3 14 -0.851000000000 -0.997000000000 2.340000000000
+ 2ALA C 15 -0.653000000000 -0.736000000000 2.248000000000
+ 2ALA O 16 -0.668000000000 -0.629000000000 2.307000000000
+ 3ALA N 17 -0.640000000000 -0.740000000000 2.115000000000
+ 3ALA H 18 -0.626000000000 -0.833000000000 2.078000000000
+ 3ALA CA 19 -0.637000000000 -0.630000000000 2.022000000000
+ 3ALA HA 20 -0.575000000000 -0.554000000000 2.070000000000
+ 3ALA CB 21 -0.564000000000 -0.672000000000 1.895000000000
+ 3ALA HB1 22 -0.596000000000 -0.770000000000 1.859000000000
+ 3ALA HB2 23 -0.458000000000 -0.670000000000 1.922000000000
+ 3ALA HB3 24 -0.572000000000 -0.601000000000 1.813000000000
+ 3ALA C 25 -0.769000000000 -0.559000000000 1.993000000000
+ 3ALA O 26 -0.825000000000 -0.563000000000 1.884000000000
+ 4ALA N 27 -0.824000000000 -0.498000000000 2.098000000000
+ 4ALA H 28 -0.785000000000 -0.529000000000 2.187000000000
+ 4ALA CA 29 -0.931000000000 -0.400000000000 2.094000000000
+ 4ALA HA 30 -0.967000000000 -0.408000000000 2.197000000000
+ 4ALA CB 31 -0.867000000000 -0.263000000000 2.078000000000
+ 4ALA HB1 32 -0.818000000000 -0.265000000000 1.981000000000
+ 4ALA HB2 33 -0.790000000000 -0.248000000000 2.154000000000
+ 4ALA HB3 34 -0.935000000000 -0.179000000000 2.092000000000
+ 4ALA C 35 -1.051000000000 -0.440000000000 2.010000000000
+ 4ALA O 36 -1.116000000000 -0.543000000000 2.026000000000
+ 5ALA N 37 -1.085000000000 -0.351000000000 1.917000000000
+ 5ALA H 38 -1.047000000000 -0.257000000000 1.926000000000
+ 5ALA CA 39 -1.200000000000 -0.367000000000 1.831000000000
+ 5ALA HA 40 -1.292000000000 -0.372000000000 1.889000000000
+ 5ALA CB 41 -1.207000000000 -0.235000000000 1.755000000000
+ 5ALA HB1 42 -1.220000000000 -0.163000000000 1.835000000000
+ 5ALA HB2 43 -1.292000000000 -0.238000000000 1.687000000000
+ 5ALA HB3 44 -1.115000000000 -0.214000000000 1.700000000000
+ 5ALA C 45 -1.190000000000 -0.488000000000 1.738000000000
+ 5ALA O 46 -1.286000000000 -0.562000000000 1.718000000000
+ 6ALA N 47 -1.075000000000 -0.497000000000 1.671000000000
+ 6ALA H 48 -1.011000000000 -0.426000000000 1.704000000000
+ 6ALA CA 49 -1.032000000000 -0.612000000000 1.594000000000
+ 6ALA HA 50 -1.092000000000 -0.610000000000 1.503000000000
+ 6ALA CB 51 -0.885000000000 -0.593000000000 1.559000000000
+ 6ALA HB1 52 -0.860000000000 -0.487000000000 1.558000000000
+ 6ALA HB2 53 -0.876000000000 -0.633000000000 1.458000000000
+ 6ALA HB3 54 -0.819000000000 -0.652000000000 1.622000000000
+ 6ALA C 55 -1.047000000000 -0.749000000000 1.658000000000
+ 6ALA O 56 -1.086000000000 -0.845000000000 1.591000000000
+ 7ALA N 57 -1.010000000000 -0.753000000000 1.786000000000
+ 7ALA H 58 -0.966000000000 -0.670000000000 1.822000000000
+ 7ALA CA 59 -1.036000000000 -0.871000000000 1.867000000000
+ 7ALA HA 60 -1.011000000000 -0.963000000000 1.814000000000
+ 7ALA CB 61 -0.938000000000 -0.863000000000 1.983000000000
+ 7ALA HB1 62 -0.838000000000 -0.858000000000 1.940000000000
+ 7ALA HB2 63 -0.940000000000 -0.946000000000 2.053000000000
+ 7ALA HB3 64 -0.957000000000 -0.770000000000 2.037000000000
+ 7ALA C 65 -1.181000000000 -0.888000000000 1.912000000000
+ 7ALA O 66 -1.234000000000 -0.998000000000 1.911000000000
+ 8ALA N 67 -1.240000000000 -0.780000000000 1.963000000000
+ 8ALA H 68 -1.194000000000 -0.690000000000 1.964000000000
+ 8ALA CA 69 -1.380000000000 -0.784000000000 2.000000000000
+ 8ALA HA 70 -1.387000000000 -0.862000000000 2.075000000000
+ 8ALA CB 71 -1.413000000000 -0.651000000000 2.067000000000
+ 8ALA HB1 72 -1.343000000000 -0.624000000000 2.147000000000
+ 8ALA HB2 73 -1.511000000000 -0.651000000000 2.116000000000
+ 8ALA HB3 74 -1.412000000000 -0.572000000000 1.992000000000
+ 8ALA C 75 -1.473000000000 -0.825000000000 1.886000000000
+ 8ALA O 76 -1.577000000000 -0.882000000000 1.914000000000
+ 9ALA N 77 -1.437000000000 -0.792000000000 1.762000000000
+ 9ALA H 78 -1.370000000000 -0.718000000000 1.749000000000
+ 9ALA CA 79 -1.513000000000 -0.839000000000 1.648000000000
+ 9ALA HA 80 -1.616000000000 -0.853000000000 1.681000000000
+ 9ALA CB 81 -1.517000000000 -0.721000000000 1.552000000000
+ 9ALA HB1 82 -1.569000000000 -0.646000000000 1.612000000000
+ 9ALA HB2 83 -1.573000000000 -0.755000000000 1.465000000000
+ 9ALA HB3 84 -1.411000000000 -0.704000000000 1.530000000000
+ 9ALA C 85 -1.453000000000 -0.965000000000 1.587000000000
+ 9ALA O 86 -1.506000000000 -1.026000000000 1.494000000000
+ 10ALA N 87 -1.339000000000 -1.015000000000 1.635000000000
+ 10ALA H 88 -1.301000000000 -0.983000000000 1.723000000000
+ 10ALA CA 89 -1.282000000000 -1.141000000000 1.592000000000
+ 10ALA HA 90 -1.193000000000 -1.143000000000 1.655000000000
+ 10ALA CB 91 -1.366000000000 -1.258000000000 1.641000000000
+ 10ALA HB1 92 -1.454000000000 -1.246000000000 1.578000000000
+ 10ALA HB2 93 -1.402000000000 -1.248000000000 1.744000000000
+ 10ALA HB3 94 -1.313000000000 -1.352000000000 1.623000000000
+ 10ALA C 95 -1.229000000000 -1.154000000000 1.450000000000
+ 10ALA O 96 -1.240000000000 -1.254000000000 1.380000000000
+ 11ALA N 97 -1.140000000000 -1.059000000000 1.420000000000
+ 11ALA H 98 -1.131000000000 -0.991000000000 1.494000000000
+ 11ALA CA 99 -1.053000000000 -1.062000000000 1.304000000000
+ 11ALA HA 100 -1.091000000000 -1.135000000000 1.232000000000
+ 11ALA CB 101 -1.050000000000 -0.921000000000 1.245000000000
+ 11ALA HB1 102 -1.008000000000 -0.932000000000 1.145000000000
+ 11ALA HB2 103 -0.986000000000 -0.861000000000 1.311000000000
+ 11ALA HB3 104 -1.151000000000 -0.886000000000 1.226000000000
+ 11ALA C 105 -0.911000000000 -1.102000000000 1.339000000000
+ 11ALA O 106 -0.847000000000 -1.180000000000 1.269000000000
+ 12ALA N 107 -0.855000000000 -1.044000000000 1.446000000000
+ 12ALA H 108 -0.911000000000 -0.977000000000 1.497000000000
+ 12ALA CA 109 -0.712000000000 -1.052000000000 1.469000000000
+ 12ALA HA 110 -0.670000000000 -1.144000000000 1.428000000000
+ 12ALA CB 111 -0.649000000000 -0.931000000000 1.402000000000
+ 12ALA HB1 112 -0.541000000000 -0.946000000000 1.414000000000
+ 12ALA HB2 113 -0.676000000000 -0.836000000000 1.448000000000
+ 12ALA HB3 114 -0.679000000000 -0.939000000000 1.298000000000
+ 12ALA C 115 -0.700000000000 -1.049000000000 1.621000000000
+ 12ALA O 116 -0.692000000000 -0.943000000000 1.682000000000
+ 13ALA N 117 -0.722000000000 -1.163000000000 1.688000000000
+ 13ALA H 118 -0.725000000000 -1.253000000000 1.641000000000
+ 13ALA CA 119 -0.732000000000 -1.169000000000 1.832000000000
+ 13ALA HA 120 -0.830000000000 -1.130000000000 1.860000000000
+ 13ALA CB 121 -0.735000000000 -1.315000000000 1.875000000000
+ 13ALA HB1 122 -0.639000000000 -1.364000000000 1.857000000000
+ 13ALA HB2 123 -0.826000000000 -1.366000000000 1.846000000000
+ 13ALA HB3 124 -0.742000000000 -1.320000000000 1.984000000000
+ 13ALA C 125 -0.631000000000 -1.095000000000 1.919000000000
+ 13ALA O 126 -0.671000000000 -1.037000000000 2.019000000000
+ 14NME N 127 -0.501000000000 -1.107000000000 1.889000000000
+ 14NME H 128 -0.473000000000 -1.155000000000 1.805000000000
+ 14NME CH3 129 -0.388000000000 -1.051000000000 1.961000000000
+ 14NME HH31 130 -0.300000000000 -1.105000000000 1.927000000000
+ 14NME HH32 131 -0.420000000000 -1.061000000000 2.064000000000
+ 14NME HH33 132 -0.367000000000 -0.946000000000 1.937000000000
+ 100.000000000000 100.000000000000 100.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
+Made with PLUMED t=0.400000
+132
+ 1ACE HH31 1 -0.264000000000 -1.191000000000 1.743000000000
+ 1ACE CH3 2 -0.363000000000 -1.148000000000 1.752000000000
+ 1ACE HH32 3 -0.355000000000 -1.057000000000 1.693000000000
+ 1ACE HH33 4 -0.426000000000 -1.225000000000 1.706000000000
+ 1ACE C 5 -0.420000000000 -1.129000000000 1.892000000000
+ 1ACE O 6 -0.459000000000 -1.224000000000 1.960000000000
+ 2ALA N 7 -0.423000000000 -1.003000000000 1.934000000000
+ 2ALA H 8 -0.418000000000 -0.933000000000 1.861000000000
+ 2ALA CA 9 -0.438000000000 -0.947000000000 2.067000000000
+ 2ALA HA 10 -0.469000000000 -1.016000000000 2.145000000000
+ 2ALA CB 11 -0.299000000000 -0.894000000000 2.101000000000
+ 2ALA HB1 12 -0.265000000000 -0.824000000000 2.025000000000
+ 2ALA HB2 13 -0.226000000000 -0.975000000000 2.096000000000
+ 2ALA HB3 14 -0.297000000000 -0.838000000000 2.194000000000
+ 2ALA C 15 -0.540000000000 -0.834000000000 2.075000000000
+ 2ALA O 16 -0.647000000000 -0.851000000000 2.133000000000
+ 3ALA N 17 -0.510000000000 -0.720000000000 2.013000000000
+ 3ALA H 18 -0.421000000000 -0.712000000000 1.964000000000
+ 3ALA CA 19 -0.598000000000 -0.605000000000 2.008000000000
+ 3ALA HA 20 -0.642000000000 -0.600000000000 2.108000000000
+ 3ALA CB 21 -0.526000000000 -0.476000000000 1.972000000000
+ 3ALA HB1 22 -0.597000000000 -0.393000000000 1.972000000000
+ 3ALA HB2 23 -0.489000000000 -0.493000000000 1.871000000000
+ 3ALA HB3 24 -0.439000000000 -0.456000000000 2.033000000000
+ 3ALA C 25 -0.712000000000 -0.632000000000 1.911000000000
+ 3ALA O 26 -0.706000000000 -0.594000000000 1.794000000000
+ 4ALA N 27 -0.819000000000 -0.682000000000 1.974000000000
+ 4ALA H 28 -0.817000000000 -0.723000000000 2.067000000000
+ 4ALA CA 29 -0.952000000000 -0.675000000000 1.918000000000
+ 4ALA HA 30 -0.962000000000 -0.729000000000 1.824000000000
+ 4ALA CB 31 -1.050000000000 -0.735000000000 2.018000000000
+ 4ALA HB1 32 -1.153000000000 -0.734000000000 1.982000000000
+ 4ALA HB2 33 -1.065000000000 -0.695000000000 2.118000000000
+ 4ALA HB3 34 -1.028000000000 -0.842000000000 2.023000000000
+ 4ALA C 35 -0.996000000000 -0.532000000000 1.890000000000
+ 4ALA O 36 -1.011000000000 -0.446000000000 1.977000000000
+ 5ALA N 37 -1.007000000000 -0.505000000000 1.760000000000
+ 5ALA H 38 -0.963000000000 -0.562000000000 1.689000000000
+ 5ALA CA 39 -1.081000000000 -0.392000000000 1.708000000000
+ 5ALA HA 40 -1.049000000000 -0.311000000000 1.772000000000
+ 5ALA CB 41 -1.061000000000 -0.357000000000 1.561000000000
+ 5ALA HB1 42 -1.068000000000 -0.448000000000 1.502000000000
+ 5ALA HB2 43 -0.960000000000 -0.321000000000 1.541000000000
+ 5ALA HB3 44 -1.118000000000 -0.271000000000 1.526000000000
+ 5ALA C 45 -1.231000000000 -0.405000000000 1.734000000000
+ 5ALA O 46 -1.309000000000 -0.441000000000 1.646000000000
+ 6ALA N 47 -1.271000000000 -0.394000000000 1.861000000000
+ 6ALA H 48 -1.196000000000 -0.374000000000 1.925000000000
+ 6ALA CA 49 -1.399000000000 -0.433000000000 1.917000000000
+ 6ALA HA 50 -1.384000000000 -0.409000000000 2.022000000000
+ 6ALA CB 51 -1.509000000000 -0.340000000000 1.865000000000
+ 6ALA HB1 52 -1.534000000000 -0.364000000000 1.762000000000
+ 6ALA HB2 53 -1.484000000000 -0.234000000000 1.868000000000
+ 6ALA HB3 54 -1.599000000000 -0.347000000000 1.927000000000
+ 6ALA C 55 -1.444000000000 -0.577000000000 1.903000000000
+ 6ALA O 56 -1.450000000000 -0.648000000000 2.004000000000
+ 7ALA N 57 -1.472000000000 -0.619000000000 1.779000000000
+ 7ALA H 58 -1.463000000000 -0.537000000000 1.720000000000
+ 7ALA CA 59 -1.507000000000 -0.751000000000 1.733000000000
+ 7ALA HA 60 -1.615000000000 -0.762000000000 1.744000000000
+ 7ALA CB 61 -1.476000000000 -0.741000000000 1.584000000000
+ 7ALA HB1 62 -1.494000000000 -0.825000000000 1.517000000000
+ 7ALA HB2 63 -1.375000000000 -0.710000000000 1.558000000000
+ 7ALA HB3 64 -1.546000000000 -0.665000000000 1.550000000000
+ 7ALA C 65 -1.450000000000 -0.867000000000 1.814000000000
+ 7ALA O 66 -1.347000000000 -0.920000000000 1.774000000000
+ 8ALA N 67 -1.518000000000 -0.918000000000 1.917000000000
+ 8ALA H 68 -1.599000000000 -0.864000000000 1.943000000000
+ 8ALA CA 69 -1.465000000000 -0.998000000000 2.026000000000
+ 8ALA HA 70 -1.397000000000 -0.928000000000 2.073000000000
+ 8ALA CB 71 -1.577000000000 -1.034000000000 2.123000000000
+ 8ALA HB1 72 -1.602000000000 -0.940000000000 2.173000000000
+ 8ALA HB2 73 -1.543000000000 -1.094000000000 2.207000000000
+ 8ALA HB3 74 -1.659000000000 -1.081000000000 2.070000000000
+ 8ALA C 75 -1.393000000000 -1.125000000000 1.982000000000
+ 8ALA O 76 -1.460000000000 -1.219000000000 1.938000000000
+ 9ALA N 77 -1.260000000000 -1.129000000000 1.988000000000
+ 9ALA H 78 -1.210000000000 -1.047000000000 2.021000000000
+ 9ALA CA 79 -1.170000000000 -1.219000000000 1.919000000000
+ 9ALA HA 80 -1.073000000000 -1.182000000000 1.952000000000
+ 9ALA CB 81 -1.182000000000 -1.357000000000 1.984000000000
+ 9ALA HB1 82 -1.102000000000 -1.421000000000 1.945000000000
+ 9ALA HB2 83 -1.281000000000 -1.403000000000 1.977000000000
+ 9ALA HB3 84 -1.173000000000 -1.361000000000 2.092000000000
+ 9ALA C 85 -1.171000000000 -1.224000000000 1.767000000000
+ 9ALA O 86 -1.065000000000 -1.224000000000 1.704000000000
+ 10ALA N 87 -1.285000000000 -1.196000000000 1.704000000000
+ 10ALA H 88 -1.366000000000 -1.201000000000 1.764000000000
+ 10ALA CA 89 -1.303000000000 -1.179000000000 1.561000000000
+ 10ALA HA 90 -1.288000000000 -1.275000000000 1.511000000000
+ 10ALA CB 91 -1.447000000000 -1.135000000000 1.536000000000
+ 10ALA HB1 92 -1.447000000000 -1.086000000000 1.438000000000
+ 10ALA HB2 93 -1.475000000000 -1.067000000000 1.616000000000
+ 10ALA HB3 94 -1.520000000000 -1.216000000000 1.528000000000
+ 10ALA C 95 -1.208000000000 -1.089000000000 1.483000000000
+ 10ALA O 96 -1.179000000000 -1.108000000000 1.365000000000
+ 11ALA N 97 -1.153000000000 -0.986000000000 1.548000000000
+ 11ALA H 98 -1.171000000000 -0.973000000000 1.646000000000
+ 11ALA CA 99 -1.054000000000 -0.899000000000 1.488000000000
+ 11ALA HA 100 -1.004000000000 -0.959000000000 1.411000000000
+ 11ALA CB 101 -1.121000000000 -0.778000000000 1.423000000000
+ 11ALA HB1 102 -1.216000000000 -0.812000000000 1.383000000000
+ 11ALA HB2 103 -1.061000000000 -0.728000000000 1.347000000000
+ 11ALA HB3 104 -1.131000000000 -0.699000000000 1.496000000000
+ 11ALA C 105 -0.939000000000 -0.871000000000 1.583000000000
+ 11ALA O 106 -0.890000000000 -0.758000000000 1.581000000000
+ 12ALA N 107 -0.894000000000 -0.966000000000 1.666000000000
+ 12ALA H 108 -0.936000000000 -1.056000000000 1.650000000000
+ 12ALA CA 109 -0.769000000000 -0.970000000000 1.738000000000
+ 12ALA HA 110 -0.775000000000 -0.894000000000 1.816000000000
+ 12ALA CB 111 -0.754000000000 -1.103000000000 1.812000000000
+ 12ALA HB1 112 -0.851000000000 -1.136000000000 1.847000000000
+ 12ALA HB2 113 -0.694000000000 -1.076000000000 1.899000000000
+ 12ALA HB3 114 -0.701000000000 -1.177000000000 1.751000000000
+ 12ALA C 115 -0.650000000000 -0.940000000000 1.648000000000
+ 12ALA O 116 -0.608000000000 -1.035000000000 1.582000000000
+ 13ALA N 117 -0.606000000000 -0.814000000000 1.647000000000
+ 13ALA H 118 -0.653000000000 -0.744000000000 1.701000000000
+ 13ALA CA 119 -0.519000000000 -0.761000000000 1.544000000000
+ 13ALA HA 120 -0.494000000000 -0.840000000000 1.473000000000
+ 13ALA CB 121 -0.587000000000 -0.650000000000 1.464000000000
+ 13ALA HB1 122 -0.660000000000 -0.699000000000 1.400000000000
+ 13ALA HB2 123 -0.518000000000 -0.591000000000 1.403000000000
+ 13ALA HB3 124 -0.622000000000 -0.589000000000 1.548000000000
+ 13ALA C 125 -0.383000000000 -0.725000000000 1.603000000000
+ 13ALA O 126 -0.364000000000 -0.748000000000 1.722000000000
+ 14NME N 127 -0.285000000000 -0.688000000000 1.519000000000
+ 14NME H 128 -0.298000000000 -0.673000000000 1.420000000000
+ 14NME CH3 129 -0.157000000000 -0.652000000000 1.575000000000
+ 14NME HH31 130 -0.121000000000 -0.717000000000 1.655000000000
+ 14NME HH32 131 -0.163000000000 -0.554000000000 1.623000000000
+ 14NME HH33 132 -0.080000000000 -0.648000000000 1.497000000000
+ 100.000000000000 100.000000000000 100.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
+Made with PLUMED t=0.450000
+132
+ 1ACE HH31 1 -0.627000000000 -0.539000000000 2.184000000000
+ 1ACE CH3 2 -0.697000000000 -0.622000000000 2.183000000000
+ 1ACE HH32 3 -0.703000000000 -0.663000000000 2.082000000000
+ 1ACE HH33 4 -0.667000000000 -0.704000000000 2.248000000000
+ 1ACE C 5 -0.839000000000 -0.578000000000 2.218000000000
+ 1ACE O 6 -0.873000000000 -0.463000000000 2.192000000000
+ 2ALA N 7 -0.917000000000 -0.667000000000 2.278000000000
+ 2ALA H 8 -0.887000000000 -0.763000000000 2.283000000000
+ 2ALA CA 9 -1.050000000000 -0.633000000000 2.327000000000
+ 2ALA HA 10 -1.104000000000 -0.587000000000 2.244000000000
+ 2ALA CB 11 -1.127000000000 -0.757000000000 2.368000000000
+ 2ALA HB1 12 -1.087000000000 -0.842000000000 2.312000000000
+ 2ALA HB2 13 -1.231000000000 -0.746000000000 2.336000000000
+ 2ALA HB3 14 -1.120000000000 -0.778000000000 2.475000000000
+ 2ALA C 15 -1.044000000000 -0.528000000000 2.438000000000
+ 2ALA O 16 -1.132000000000 -0.442000000000 2.447000000000
+ 3ALA N 17 -0.961000000000 -0.540000000000 2.541000000000
+ 3ALA H 18 -0.911000000000 -0.627000000000 2.535000000000
+ 3ALA CA 19 -0.953000000000 -0.447000000000 2.652000000000
+ 3ALA HA 20 -1.049000000000 -0.403000000000 2.681000000000
+ 3ALA CB 21 -0.908000000000 -0.527000000000 2.773000000000
+ 3ALA HB1 22 -0.820000000000 -0.589000000000 2.755000000000
+ 3ALA HB2 23 -0.992000000000 -0.586000000000 2.809000000000
+ 3ALA HB3 24 -0.884000000000 -0.462000000000 2.857000000000
+ 3ALA C 25 -0.865000000000 -0.329000000000 2.615000000000
+ 3ALA O 26 -0.757000000000 -0.304000000000 2.668000000000
+ 4ALA N 27 -0.910000000000 -0.268000000000 2.505000000000
+ 4ALA H 28 -0.999000000000 -0.300000000000 2.469000000000
+ 4ALA CA 29 -0.840000000000 -0.168000000000 2.427000000000
+ 4ALA HA 30 -0.814000000000 -0.084000000000 2.493000000000
+ 4ALA CB 31 -0.707000000000 -0.222000000000 2.375000000000
+ 4ALA HB1 32 -0.728000000000 -0.319000000000 2.329000000000
+ 4ALA HB2 33 -0.628000000000 -0.238000000000 2.450000000000
+ 4ALA HB3 34 -0.662000000000 -0.151000000000 2.306000000000
+ 4ALA C 35 -0.937000000000 -0.113000000000 2.324000000000
+ 4ALA O 36 -0.993000000000 -0.006000000000 2.346000000000
+ 5ALA N 37 -0.962000000000 -0.189000000000 2.216000000000
+ 5ALA H 38 -0.930000000000 -0.285000000000 2.220000000000
+ 5ALA CA 39 -1.035000000000 -0.150000000000 2.098000000000
+ 5ALA HA 40 -1.102000000000 -0.069000000000 2.130000000000
+ 5ALA CB 41 -0.929000000000 -0.102000000000 2.000000000000
+ 5ALA HB1 42 -0.883000000000 -0.189000000000 1.953000000000
+ 5ALA HB2 43 -0.862000000000 -0.029000000000 2.045000000000
+ 5ALA HB3 44 -0.970000000000 -0.050000000000 1.913000000000
+ 5ALA C 45 -1.134000000000 -0.257000000000 2.056000000000
+ 5ALA O 46 -1.254000000000 -0.235000000000 2.074000000000
+ 6ALA N 47 -1.089000000000 -0.376000000000 2.014000000000
+ 6ALA H 48 -0.991000000000 -0.396000000000 2.002000000000
+ 6ALA CA 49 -1.173000000000 -0.487000000000 1.976000000000
+ 6ALA HA 50 -1.248000000000 -0.512000000000 2.052000000000
+ 6ALA CB 51 -1.250000000000 -0.449000000000 1.850000000000
+ 6ALA HB1 52 -1.304000000000 -0.355000000000 1.864000000000
+ 6ALA HB2 53 -1.320000000000 -0.525000000000 1.815000000000
+ 6ALA HB3 54 -1.178000000000 -0.433000000000 1.770000000000
+ 6ALA C 55 -1.086000000000 -0.606000000000 1.937000000000
+ 6ALA O 56 -0.966000000000 -0.591000000000 1.912000000000
+ 7ALA N 57 -1.148000000000 -0.724000000000 1.938000000000
+ 7ALA H 58 -1.247000000000 -0.722000000000 1.956000000000
+ 7ALA CA 59 -1.090000000000 -0.847000000000 1.890000000000
+ 7ALA HA 60 -0.989000000000 -0.858000000000 1.929000000000
+ 7ALA CB 61 -1.172000000000 -0.961000000000 1.949000000000
+ 7ALA HB1 62 -1.276000000000 -0.944000000000 1.920000000000
+ 7ALA HB2 63 -1.171000000000 -0.956000000000 2.058000000000
+ 7ALA HB3 64 -1.145000000000 -1.063000000000 1.924000000000
+ 7ALA C 65 -1.083000000000 -0.847000000000 1.738000000000
+ 7ALA O 66 -1.135000000000 -0.940000000000 1.677000000000
+ 8ALA N 67 -1.010000000000 -0.758000000000 1.671000000000
+ 8ALA H 68 -0.974000000000 -0.684000000000 1.730000000000
+ 8ALA CA 69 -1.019000000000 -0.731000000000 1.529000000000
+ 8ALA HA 70 -1.123000000000 -0.705000000000 1.505000000000
+ 8ALA CB 71 -0.948000000000 -0.600000000000 1.496000000000
+ 8ALA HB1 72 -0.842000000000 -0.596000000000 1.522000000000
+ 8ALA HB2 73 -1.007000000000 -0.528000000000 1.554000000000
+ 8ALA HB3 74 -0.962000000000 -0.583000000000 1.389000000000
+ 8ALA C 75 -0.969000000000 -0.841000000000 1.437000000000
+ 8ALA O 76 -1.044000000000 -0.913000000000 1.371000000000
+ 9ALA N 77 -0.838000000000 -0.863000000000 1.430000000000
+ 9ALA H 78 -0.764000000000 -0.814000000000 1.478000000000
+ 9ALA CA 79 -0.778000000000 -0.982000000000 1.373000000000
+ 9ALA HA 80 -0.796000000000 -0.972000000000 1.266000000000
+ 9ALA CB 81 -0.627000000000 -0.969000000000 1.391000000000
+ 9ALA HB1 82 -0.566000000000 -1.052000000000 1.356000000000
+ 9ALA HB2 83 -0.601000000000 -0.956000000000 1.496000000000
+ 9ALA HB3 84 -0.586000000000 -0.887000000000 1.331000000000
+ 9ALA C 85 -0.836000000000 -1.113000000000 1.424000000000
+ 9ALA O 86 -0.850000000000 -1.206000000000 1.345000000000
+ 10ALA N 87 -0.868000000000 -1.127000000000 1.553000000000
+ 10ALA H 88 -0.848000000000 -1.054000000000 1.620000000000
+ 10ALA CA 89 -0.911000000000 -1.254000000000 1.608000000000
+ 10ALA HA 90 -0.832000000000 -1.327000000000 1.593000000000
+ 10ALA CB 91 -0.923000000000 -1.243000000000 1.760000000000
+ 10ALA HB1 92 -0.966000000000 -1.335000000000 1.800000000000
+ 10ALA HB2 93 -1.004000000000 -1.174000000000 1.781000000000
+ 10ALA HB3 94 -0.830000000000 -1.201000000000 1.798000000000
+ 10ALA C 95 -1.043000000000 -1.306000000000 1.551000000000
+ 10ALA O 96 -1.060000000000 -1.417000000000 1.503000000000
+ 11ALA N 97 -1.141000000000 -1.216000000000 1.543000000000
+ 11ALA H 98 -1.133000000000 -1.128000000000 1.591000000000
+ 11ALA CA 99 -1.274000000000 -1.240000000000 1.490000000000
+ 11ALA HA 100 -1.314000000000 -1.331000000000 1.535000000000
+ 11ALA CB 101 -1.360000000000 -1.124000000000 1.538000000000
+ 11ALA HB1 102 -1.343000000000 -1.111000000000 1.645000000000
+ 11ALA HB2 103 -1.462000000000 -1.157000000000 1.519000000000
+ 11ALA HB3 104 -1.348000000000 -1.037000000000 1.473000000000
+ 11ALA C 105 -1.275000000000 -1.250000000000 1.338000000000
+ 11ALA O 106 -1.351000000000 -1.326000000000 1.280000000000
+ 12ALA N 107 -1.192000000000 -1.171000000000 1.269000000000
+ 12ALA H 108 -1.124000000000 -1.108000000000 1.308000000000
+ 12ALA CA 109 -1.151000000000 -1.198000000000 1.133000000000
+ 12ALA HA 110 -1.237000000000 -1.176000000000 1.069000000000
+ 12ALA CB 111 -1.042000000000 -1.102000000000 1.088000000000
+ 12ALA HB1 112 -1.034000000000 -1.111000000000 0.980000000000
+ 12ALA HB2 113 -0.944000000000 -1.136000000000 1.123000000000
+ 12ALA HB3 114 -1.072000000000 -1.001000000000 1.115000000000
+ 12ALA C 115 -1.089000000000 -1.333000000000 1.098000000000
+ 12ALA O 116 -1.135000000000 -1.398000000000 1.004000000000
+ 13ALA N 117 -0.990000000000 -1.387000000000 1.168000000000
+ 13ALA H 118 -0.941000000000 -1.320000000000 1.226000000000
+ 13ALA CA 119 -0.942000000000 -1.522000000000 1.146000000000
+ 13ALA HA 120 -0.918000000000 -1.533000000000 1.040000000000
+ 13ALA CB 121 -0.812000000000 -1.532000000000 1.225000000000
+ 13ALA HB1 122 -0.740000000000 -1.455000000000 1.198000000000
+ 13ALA HB2 123 -0.764000000000 -1.629000000000 1.208000000000
+ 13ALA HB3 124 -0.826000000000 -1.516000000000 1.332000000000
+ 13ALA C 125 -1.047000000000 -1.624000000000 1.186000000000
+ 13ALA O 126 -1.077000000000 -1.720000000000 1.116000000000
+ 14NME N 127 -1.089000000000 -1.616000000000 1.313000000000
+ 14NME H 128 -1.057000000000 -1.534000000000 1.363000000000
+ 14NME CH3 129 -1.157000000000 -1.721000000000 1.385000000000
+ 14NME HH31 130 -1.195000000000 -1.794000000000 1.313000000000
+ 14NME HH32 131 -1.245000000000 -1.672000000000 1.427000000000
+ 14NME HH33 132 -1.087000000000 -1.766000000000 1.455000000000
+ 100.000000000000 100.000000000000 100.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
+Made with PLUMED t=0.500000
+132
+ 1ACE HH31 1 -0.290000000000 -0.494000000000 2.251000000000
+ 1ACE CH3 2 -0.355000000000 -0.422000000000 2.301000000000
+ 1ACE HH32 3 -0.313000000000 -0.370000000000 2.388000000000
+ 1ACE HH33 4 -0.385000000000 -0.347000000000 2.228000000000
+ 1ACE C 5 -0.469000000000 -0.506000000000 2.357000000000
+ 1ACE O 6 -0.440000000000 -0.613000000000 2.410000000000
+ 2ALA N 7 -0.590000000000 -0.450000000000 2.362000000000
+ 2ALA H 8 -0.606000000000 -0.366000000000 2.308000000000
+ 2ALA CA 9 -0.702000000000 -0.497000000000 2.441000000000
+ 2ALA HA 10 -0.698000000000 -0.606000000000 2.436000000000
+ 2ALA CB 11 -0.676000000000 -0.464000000000 2.587000000000
+ 2ALA HB1 12 -0.574000000000 -0.491000000000 2.615000000000
+ 2ALA HB2 13 -0.735000000000 -0.534000000000 2.646000000000
+ 2ALA HB3 14 -0.691000000000 -0.359000000000 2.611000000000
+ 2ALA C 15 -0.836000000000 -0.444000000000 2.391000000000
+ 2ALA O 16 -0.848000000000 -0.410000000000 2.274000000000
+ 3ALA N 17 -0.932000000000 -0.437000000000 2.484000000000
+ 3ALA H 18 -0.917000000000 -0.470000000000 2.578000000000
+ 3ALA CA 19 -1.065000000000 -0.382000000000 2.469000000000
+ 3ALA HA 20 -1.122000000000 -0.432000000000 2.548000000000
+ 3ALA CB 21 -1.060000000000 -0.232000000000 2.494000000000
+ 3ALA HB1 22 -1.162000000000 -0.196000000000 2.482000000000
+ 3ALA HB2 23 -0.993000000000 -0.182000000000 2.424000000000
+ 3ALA HB3 24 -1.022000000000 -0.211000000000 2.594000000000
+ 3ALA C 25 -1.127000000000 -0.433000000000 2.340000000000
+ 3ALA O 26 -1.146000000000 -0.552000000000 2.312000000000
+ 4ALA N 27 -1.158000000000 -0.338000000000 2.252000000000
+ 4ALA H 28 -1.147000000000 -0.244000000000 2.286000000000
+ 4ALA CA 29 -1.211000000000 -0.361000000000 2.119000000000
+ 4ALA HA 30 -1.300000000000 -0.423000000000 2.134000000000
+ 4ALA CB 31 -1.235000000000 -0.222000000000 2.061000000000
+ 4ALA HB1 32 -1.280000000000 -0.244000000000 1.964000000000
+ 4ALA HB2 33 -1.145000000000 -0.163000000000 2.047000000000
+ 4ALA HB3 34 -1.296000000000 -0.158000000000 2.125000000000
+ 4ALA C 35 -1.110000000000 -0.423000000000 2.024000000000
+ 4ALA O 36 -1.145000000000 -0.498000000000 1.934000000000
+ 5ALA N 37 -0.983000000000 -0.382000000000 2.032000000000
+ 5ALA H 38 -0.950000000000 -0.331000000000 2.113000000000
+ 5ALA CA 39 -0.882000000000 -0.420000000000 1.936000000000
+ 5ALA HA 40 -0.920000000000 -0.386000000000 1.839000000000
+ 5ALA CB 41 -0.754000000000 -0.337000000000 1.947000000000
+ 5ALA HB1 42 -0.683000000000 -0.363000000000 1.870000000000
+ 5ALA HB2 43 -0.709000000000 -0.347000000000 2.046000000000
+ 5ALA HB3 44 -0.769000000000 -0.233000000000 1.920000000000
+ 5ALA C 45 -0.864000000000 -0.571000000000 1.932000000000
+ 5ALA O 46 -0.876000000000 -0.627000000000 1.823000000000
+ 6ALA N 47 -0.850000000000 -0.633000000000 2.049000000000
+ 6ALA H 48 -0.846000000000 -0.575000000000 2.131000000000
+ 6ALA CA 49 -0.850000000000 -0.776000000000 2.075000000000
+ 6ALA HA 50 -0.760000000000 -0.826000000000 2.042000000000
+ 6ALA CB 51 -0.850000000000 -0.802000000000 2.226000000000
+ 6ALA HB1 52 -0.842000000000 -0.910000000000 2.228000000000
+ 6ALA HB2 53 -0.941000000000 -0.767000000000 2.275000000000
+ 6ALA HB3 54 -0.764000000000 -0.754000000000 2.273000000000
+ 6ALA C 55 -0.964000000000 -0.843000000000 2.000000000000
+ 6ALA O 56 -0.944000000000 -0.930000000000 1.916000000000
+ 7ALA N 57 -1.088000000000 -0.802000000000 2.030000000000
+ 7ALA H 58 -1.093000000000 -0.725000000000 2.095000000000
+ 7ALA CA 59 -1.213000000000 -0.849000000000 1.974000000000
+ 7ALA HA 60 -1.210000000000 -0.954000000000 2.001000000000
+ 7ALA CB 61 -1.329000000000 -0.776000000000 2.043000000000
+ 7ALA HB1 62 -1.355000000000 -0.817000000000 2.140000000000
+ 7ALA HB2 63 -1.418000000000 -0.796000000000 1.984000000000
+ 7ALA HB3 64 -1.313000000000 -0.668000000000 2.048000000000
+ 7ALA C 65 -1.218000000000 -0.840000000000 1.822000000000
+ 7ALA O 66 -1.255000000000 -0.938000000000 1.758000000000
+ 8ALA N 67 -1.183000000000 -0.726000000000 1.763000000000
+ 8ALA H 68 -1.163000000000 -0.647000000000 1.823000000000
+ 8ALA CA 69 -1.158000000000 -0.714000000000 1.621000000000
+ 8ALA HA 70 -1.252000000000 -0.747000000000 1.577000000000
+ 8ALA CB 71 -1.119000000000 -0.568000000000 1.598000000000
+ 8ALA HB1 72 -1.122000000000 -0.549000000000 1.490000000000
+ 8ALA HB2 73 -1.020000000000 -0.546000000000 1.639000000000
+ 8ALA HB3 74 -1.188000000000 -0.500000000000 1.647000000000
+ 8ALA C 75 -1.052000000000 -0.813000000000 1.574000000000
+ 8ALA O 76 -1.070000000000 -0.882000000000 1.474000000000
+ 9ALA N 77 -0.942000000000 -0.827000000000 1.648000000000
+ 9ALA H 78 -0.933000000000 -0.764000000000 1.727000000000
+ 9ALA CA 79 -0.834000000000 -0.918000000000 1.615000000000
+ 9ALA HA 80 -0.797000000000 -0.897000000000 1.515000000000
+ 9ALA CB 81 -0.709000000000 -0.901000000000 1.701000000000
+ 9ALA HB1 82 -0.627000000000 -0.946000000000 1.645000000000
+ 9ALA HB2 83 -0.727000000000 -0.940000000000 1.801000000000
+ 9ALA HB3 84 -0.688000000000 -0.795000000000 1.712000000000
+ 9ALA C 85 -0.886000000000 -1.060000000000 1.609000000000
+ 9ALA O 86 -0.863000000000 -1.131000000000 1.511000000000
+ 10ALA N 87 -0.961000000000 -1.104000000000 1.711000000000
+ 10ALA H 88 -0.973000000000 -1.050000000000 1.796000000000
+ 10ALA CA 89 -1.024000000000 -1.234000000000 1.704000000000
+ 10ALA HA 90 -0.947000000000 -1.309000000000 1.687000000000
+ 10ALA CB 91 -1.087000000000 -1.278000000000 1.836000000000
+ 10ALA HB1 92 -1.013000000000 -1.289000000000 1.916000000000
+ 10ALA HB2 93 -1.133000000000 -1.376000000000 1.830000000000
+ 10ALA HB3 94 -1.168000000000 -1.207000000000 1.854000000000
+ 10ALA C 95 -1.125000000000 -1.242000000000 1.590000000000
+ 10ALA O 96 -1.131000000000 -1.338000000000 1.514000000000
+ 11ALA N 97 -1.208000000000 -1.140000000000 1.564000000000
+ 11ALA H 98 -1.203000000000 -1.058000000000 1.622000000000
+ 11ALA CA 99 -1.324000000000 -1.157000000000 1.479000000000
+ 11ALA HA 100 -1.383000000000 -1.244000000000 1.509000000000
+ 11ALA CB 101 -1.415000000000 -1.036000000000 1.496000000000
+ 11ALA HB1 102 -1.467000000000 -1.042000000000 1.592000000000
+ 11ALA HB2 103 -1.496000000000 -1.050000000000 1.425000000000
+ 11ALA HB3 104 -1.367000000000 -0.938000000000 1.490000000000
+ 11ALA C 105 -1.286000000000 -1.171000000000 1.333000000000
+ 11ALA O 106 -1.326000000000 -1.259000000000 1.257000000000
+ 12ALA N 107 -1.199000000000 -1.081000000000 1.286000000000
+ 12ALA H 108 -1.149000000000 -1.022000000000 1.351000000000
+ 12ALA CA 109 -1.153000000000 -1.065000000000 1.150000000000
+ 12ALA HA 110 -1.233000000000 -1.086000000000 1.079000000000
+ 12ALA CB 111 -1.104000000000 -0.923000000000 1.125000000000
+ 12ALA HB1 112 -1.047000000000 -0.921000000000 1.032000000000
+ 12ALA HB2 113 -1.038000000000 -0.877000000000 1.198000000000
+ 12ALA HB3 114 -1.187000000000 -0.853000000000 1.109000000000
+ 12ALA C 115 -1.040000000000 -1.161000000000 1.113000000000
+ 12ALA O 116 -1.029000000000 -1.196000000000 0.996000000000
+ 13ALA N 117 -0.956000000000 -1.194000000000 1.212000000000
+ 13ALA H 118 -0.980000000000 -1.150000000000 1.300000000000
+ 13ALA CA 119 -0.841000000000 -1.280000000000 1.191000000000
+ 13ALA HA 120 -0.843000000000 -1.324000000000 1.091000000000
+ 13ALA CB 121 -0.718000000000 -1.192000000000 1.206000000000
+ 13ALA HB1 122 -0.635000000000 -1.263000000000 1.215000000000
+ 13ALA HB2 123 -0.722000000000 -1.147000000000 1.305000000000
+ 13ALA HB3 124 -0.686000000000 -1.121000000000 1.129000000000
+ 13ALA C 125 -0.844000000000 -1.407000000000 1.275000000000
+ 13ALA O 126 -0.860000000000 -1.513000000000 1.217000000000
+ 14NME N 127 -0.829000000000 -1.400000000000 1.408000000000
+ 14NME H 128 -0.832000000000 -1.305000000000 1.443000000000
+ 14NME CH3 129 -0.834000000000 -1.514000000000 1.497000000000
+ 14NME HH31 130 -0.938000000000 -1.534000000000 1.525000000000
+ 14NME HH32 131 -0.772000000000 -1.496000000000 1.584000000000
+ 14NME HH33 132 -0.806000000000 -1.608000000000 1.448000000000
+ 100.000000000000 100.000000000000 100.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
+Made with PLUMED t=0.550000
+132
+ 1ACE HH31 1 0.072000000000 -1.016000000000 1.887000000000
+ 1ACE CH3 2 0.034000000000 -0.916000000000 1.912000000000
+ 1ACE HH32 3 0.047000000000 -0.887000000000 2.016000000000
+ 1ACE HH33 4 0.076000000000 -0.831000000000 1.859000000000
+ 1ACE C 5 -0.114000000000 -0.927000000000 1.879000000000
+ 1ACE O 6 -0.153000000000 -0.971000000000 1.772000000000
+ 2ALA N 7 -0.207000000000 -0.887000000000 1.966000000000
+ 2ALA H 8 -0.174000000000 -0.848000000000 2.054000000000
+ 2ALA CA 9 -0.351000000000 -0.899000000000 1.962000000000
+ 2ALA HA 10 -0.386000000000 -0.927000000000 1.862000000000
+ 2ALA CB 11 -0.404000000000 -0.998000000000 2.065000000000
+ 2ALA HB1 12 -0.513000000000 -0.997000000000 2.071000000000
+ 2ALA HB2 13 -0.369000000000 -0.963000000000 2.162000000000
+ 2ALA HB3 14 -0.383000000000 -1.102000000000 2.041000000000
+ 2ALA C 15 -0.415000000000 -0.763000000000 1.989000000000
+ 2ALA O 16 -0.426000000000 -0.721000000000 2.104000000000
+ 3ALA N 17 -0.457000000000 -0.692000000000 1.884000000000
+ 3ALA H 18 -0.441000000000 -0.729000000000 1.791000000000
+ 3ALA CA 19 -0.533000000000 -0.571000000000 1.902000000000
+ 3ALA HA 20 -0.500000000000 -0.510000000000 1.986000000000
+ 3ALA CB 21 -0.523000000000 -0.472000000000 1.786000000000
+ 3ALA HB1 22 -0.419000000000 -0.451000000000 1.763000000000
+ 3ALA HB2 23 -0.578000000000 -0.381000000000 1.811000000000
+ 3ALA HB3 24 -0.562000000000 -0.527000000000 1.700000000000
+ 3ALA C 25 -0.679000000000 -0.610000000000 1.923000000000
+ 3ALA O 26 -0.738000000000 -0.682000000000 1.843000000000
+ 4ALA N 27 -0.739000000000 -0.563000000000 2.033000000000
+ 4ALA H 28 -0.689000000000 -0.521000000000 2.110000000000
+ 4ALA CA 29 -0.876000000000 -0.594000000000 2.068000000000
+ 4ALA HA 30 -0.869000000000 -0.702000000000 2.075000000000
+ 4ALA CB 31 -0.904000000000 -0.534000000000 2.205000000000
+ 4ALA HB1 32 -0.894000000000 -0.425000000000 2.200000000000
+ 4ALA HB2 33 -0.846000000000 -0.575000000000 2.288000000000
+ 4ALA HB3 34 -1.011000000000 -0.545000000000 2.225000000000
+ 4ALA C 35 -0.981000000000 -0.556000000000 1.964000000000
+ 4ALA O 36 -0.972000000000 -0.449000000000 1.905000000000
+ 5ALA N 37 -1.079000000000 -0.644000000000 1.941000000000
+ 5ALA H 38 -1.079000000000 -0.725000000000 2.002000000000
+ 5ALA CA 39 -1.186000000000 -0.610000000000 1.850000000000
+ 5ALA HA 40 -1.191000000000 -0.502000000000 1.835000000000
+ 5ALA CB 41 -1.156000000000 -0.666000000000 1.712000000000
+ 5ALA HB1 42 -1.137000000000 -0.773000000000 1.712000000000
+ 5ALA HB2 43 -1.076000000000 -0.604000000000 1.671000000000
+ 5ALA HB3 44 -1.242000000000 -0.650000000000 1.647000000000
+ 5ALA C 45 -1.320000000000 -0.655000000000 1.906000000000
+ 5ALA O 46 -1.425000000000 -0.600000000000 1.872000000000
+ 6ALA N 47 -1.327000000000 -0.762000000000 1.986000000000
+ 6ALA H 48 -1.235000000000 -0.803000000000 1.999000000000
+ 6ALA CA 49 -1.437000000000 -0.819000000000 2.061000000000
+ 6ALA HA 50 -1.394000000000 -0.918000000000 2.075000000000
+ 6ALA CB 51 -1.461000000000 -0.751000000000 2.195000000000
+ 6ALA HB1 52 -1.559000000000 -0.785000000000 2.229000000000
+ 6ALA HB2 53 -1.479000000000 -0.645000000000 2.179000000000
+ 6ALA HB3 54 -1.380000000000 -0.785000000000 2.260000000000
+ 6ALA C 55 -1.568000000000 -0.833000000000 1.985000000000
+ 6ALA O 56 -1.607000000000 -0.944000000000 1.948000000000
+ 7ALA N 57 -1.639000000000 -0.722000000000 1.964000000000
+ 7ALA H 58 -1.578000000000 -0.647000000000 1.995000000000
+ 7ALA CA 59 -1.749000000000 -0.701000000000 1.872000000000
+ 7ALA HA 60 -1.832000000000 -0.753000000000 1.921000000000
+ 7ALA CB 61 -1.783000000000 -0.553000000000 1.866000000000
+ 7ALA HB1 62 -1.694000000000 -0.489000000000 1.865000000000
+ 7ALA HB2 63 -1.848000000000 -0.523000000000 1.948000000000
+ 7ALA HB3 64 -1.839000000000 -0.521000000000 1.778000000000
+ 7ALA C 65 -1.729000000000 -0.762000000000 1.734000000000
+ 7ALA O 66 -1.806000000000 -0.843000000000 1.684000000000
+ 8ALA N 67 -1.617000000000 -0.729000000000 1.669000000000
+ 8ALA H 68 -1.546000000000 -0.681000000000 1.722000000000
+ 8ALA CA 69 -1.596000000000 -0.760000000000 1.528000000000
+ 8ALA HA 70 -1.688000000000 -0.790000000000 1.479000000000
+ 8ALA CB 71 -1.548000000000 -0.635000000000 1.455000000000
+ 8ALA HB1 72 -1.619000000000 -0.554000000000 1.470000000000
+ 8ALA HB2 73 -1.541000000000 -0.657000000000 1.349000000000
+ 8ALA HB3 74 -1.448000000000 -0.620000000000 1.496000000000
+ 8ALA C 75 -1.510000000000 -0.884000000000 1.515000000000
+ 8ALA O 76 -1.406000000000 -0.888000000000 1.449000000000
+ 9ALA N 77 -1.556000000000 -0.985000000000 1.590000000000
+ 9ALA H 78 -1.649000000000 -0.973000000000 1.626000000000
+ 9ALA CA 79 -1.480000000000 -1.090000000000 1.654000000000
+ 9ALA HA 80 -1.551000000000 -1.132000000000 1.726000000000
+ 9ALA CB 81 -1.453000000000 -1.209000000000 1.562000000000
+ 9ALA HB1 82 -1.418000000000 -1.169000000000 1.468000000000
+ 9ALA HB2 83 -1.544000000000 -1.267000000000 1.548000000000
+ 9ALA HB3 84 -1.369000000000 -1.265000000000 1.604000000000
+ 9ALA C 85 -1.362000000000 -1.042000000000 1.738000000000
+ 9ALA O 86 -1.331000000000 -0.924000000000 1.749000000000
+ 10ALA N 87 -1.300000000000 -1.134000000000 1.812000000000
+ 10ALA H 88 -1.321000000000 -1.232000000000 1.801000000000
+ 10ALA CA 89 -1.224000000000 -1.112000000000 1.933000000000
+ 10ALA HA 90 -1.294000000000 -1.080000000000 2.011000000000
+ 10ALA CB 91 -1.161000000000 -1.244000000000 1.978000000000
+ 10ALA HB1 92 -1.095000000000 -1.282000000000 1.901000000000
+ 10ALA HB2 93 -1.238000000000 -1.317000000000 2.004000000000
+ 10ALA HB3 94 -1.102000000000 -1.228000000000 2.068000000000
+ 10ALA C 95 -1.110000000000 -1.013000000000 1.918000000000
+ 10ALA O 96 -1.106000000000 -0.915000000000 1.992000000000
+ 11ALA N 97 -1.012000000000 -1.036000000000 1.830000000000
+ 11ALA H 98 -1.020000000000 -1.126000000000 1.786000000000
+ 11ALA CA 99 -0.893000000000 -0.955000000000 1.821000000000
+ 11ALA HA 100 -0.924000000000 -0.851000000000 1.829000000000
+ 11ALA CB 101 -0.796000000000 -0.988000000000 1.933000000000
+ 11ALA HB1 102 -0.840000000000 -0.953000000000 2.026000000000
+ 11ALA HB2 103 -0.699000000000 -0.938000000000 1.931000000000
+ 11ALA HB3 104 -0.788000000000 -1.097000000000 1.934000000000
+ 11ALA C 105 -0.826000000000 -0.977000000000 1.686000000000
+ 11ALA O 106 -0.857000000000 -1.075000000000 1.619000000000
+ 12ALA N 107 -0.737000000000 -0.882000000000 1.654000000000
+ 12ALA H 108 -0.731000000000 -0.797000000000 1.708000000000
+ 12ALA CA 109 -0.668000000000 -0.882000000000 1.526000000000
+ 12ALA HA 110 -0.688000000000 -0.975000000000 1.472000000000
+ 12ALA CB 111 -0.714000000000 -0.770000000000 1.434000000000
+ 12ALA HB1 112 -0.820000000000 -0.778000000000 1.408000000000
+ 12ALA HB2 113 -0.661000000000 -0.775000000000 1.339000000000
+ 12ALA HB3 114 -0.704000000000 -0.680000000000 1.495000000000
+ 12ALA C 115 -0.518000000000 -0.881000000000 1.550000000000
+ 12ALA O 116 -0.467000000000 -0.820000000000 1.644000000000
+ 13ALA N 117 -0.438000000000 -0.946000000000 1.465000000000
+ 13ALA H 118 -0.481000000000 -0.984000000000 1.382000000000
+ 13ALA CA 119 -0.293000000000 -0.945000000000 1.465000000000
+ 13ALA HA 120 -0.266000000000 -0.984000000000 1.563000000000
+ 13ALA CB 121 -0.244000000000 -1.047000000000 1.362000000000
+ 13ALA HB1 122 -0.294000000000 -1.019000000000 1.270000000000
+ 13ALA HB2 123 -0.270000000000 -1.149000000000 1.389000000000
+ 13ALA HB3 124 -0.135000000000 -1.043000000000 1.354000000000
+ 13ALA C 125 -0.235000000000 -0.809000000000 1.430000000000
+ 13ALA O 126 -0.277000000000 -0.744000000000 1.335000000000
+ 14NME N 127 -0.141000000000 -0.764000000000 1.514000000000
+ 14NME H 128 -0.103000000000 -0.828000000000 1.583000000000
+ 14NME CH3 129 -0.078000000000 -0.635000000000 1.493000000000
+ 14NME HH31 130 0.019000000000 -0.629000000000 1.542000000000
+ 14NME HH32 131 -0.149000000000 -0.567000000000 1.540000000000
+ 14NME HH33 132 -0.074000000000 -0.617000000000 1.386000000000
+ 100.000000000000 100.000000000000 100.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
diff --git a/regtest/basic/rt54/helix-pr.xyz.reference b/regtest/basic/rt54/helix-pr.xyz.reference
new file mode 100644
index 0000000000000000000000000000000000000000..35368e8bb1cbb4a30f83f5c7a5ca01db4781b059
--- /dev/null
+++ b/regtest/basic/rt54/helix-pr.xyz.reference
@@ -0,0 +1,1608 @@
+132
+ 1000.000000000000 1000.000000000000 1000.000000000000
+HH31 -9.110000000000 -2.400000000000 21.800000000000
+CH3 -8.930000000000 -3.350000000000 22.310000000000
+HH32 -9.500000000000 -3.500000000000 23.220000000000
+HH33 -9.070000000000 -4.170000000000 21.600000000000
+C -7.450000000000 -3.300000000000 22.660000000000
+O -6.910000000000 -2.210000000000 22.830000000000
+N -6.810000000000 -4.480000000000 22.680000000000
+H -7.320000000000 -5.300000000000 22.420000000000
+CA -5.400000000000 -4.600000000000 22.970000000000
+HA -4.880000000000 -3.860000000000 22.350000000000
+CB -5.070000000000 -4.370000000000 24.440000000000
+HB1 -4.010000000000 -4.350000000000 24.670000000000
+HB2 -5.440000000000 -5.140000000000 25.110000000000
+HB3 -5.560000000000 -3.430000000000 24.700000000000
+C -4.910000000000 -5.950000000000 22.470000000000
+O -4.730000000000 -6.130000000000 21.260000000000
+N -4.850000000000 -6.970000000000 23.330000000000
+H -5.120000000000 -6.790000000000 24.290000000000
+CA -4.720000000000 -8.400000000000 23.160000000000
+HA -3.770000000000 -8.520000000000 22.640000000000
+CB -4.610000000000 -9.090000000000 24.510000000000
+HB1 -3.760000000000 -8.710000000000 25.080000000000
+HB2 -4.510000000000 -10.140000000000 24.250000000000
+HB3 -5.490000000000 -9.130000000000 25.160000000000
+C -5.750000000000 -9.060000000000 22.260000000000
+O -5.360000000000 -9.750000000000 21.320000000000
+N -7.040000000000 -8.870000000000 22.570000000000
+H -7.040000000000 -8.060000000000 23.180000000000
+CA -8.200000000000 -9.230000000000 21.790000000000
+HA -7.870000000000 -9.850000000000 20.950000000000
+CB -9.160000000000 -9.960000000000 22.730000000000
+HB1 -8.630000000000 -10.790000000000 23.190000000000
+HB2 -10.100000000000 -10.330000000000 22.310000000000
+HB3 -9.400000000000 -9.260000000000 23.530000000000
+C -8.720000000000 -7.910000000000 21.260000000000
+O -8.270000000000 -6.850000000000 21.680000000000
+N -9.570000000000 -7.900000000000 20.220000000000
+H -9.630000000000 -8.820000000000 19.810000000000
+CA -9.920000000000 -6.790000000000 19.360000000000
+HA -10.140000000000 -5.950000000000 20.010000000000
+CB -8.790000000000 -6.400000000000 18.410000000000
+HB1 -8.530000000000 -7.140000000000 17.650000000000
+HB2 -7.860000000000 -6.290000000000 18.960000000000
+HB3 -8.980000000000 -5.480000000000 17.860000000000
+C -11.180000000000 -7.050000000000 18.530000000000
+O -11.520000000000 -8.220000000000 18.370000000000
+N -11.930000000000 -6.050000000000 18.050000000000
+H -11.600000000000 -5.100000000000 18.050000000000
+CA -13.240000000000 -6.260000000000 17.470000000000
+HA -13.120000000000 -7.160000000000 16.870000000000
+CB -14.370000000000 -6.400000000000 18.490000000000
+HB1 -15.330000000000 -6.500000000000 17.990000000000
+HB2 -14.360000000000 -5.550000000000 19.180000000000
+HB3 -14.130000000000 -7.230000000000 19.160000000000
+C -13.630000000000 -5.090000000000 16.580000000000
+O -13.360000000000 -3.940000000000 16.920000000000
+N -14.210000000000 -5.430000000000 15.430000000000
+H -14.290000000000 -6.440000000000 15.400000000000
+CA -14.900000000000 -4.580000000000 14.480000000000
+HA -15.360000000000 -3.790000000000 15.070000000000
+CB -13.890000000000 -3.800000000000 13.640000000000
+HB1 -14.480000000000 -3.100000000000 13.050000000000
+HB2 -13.230000000000 -4.430000000000 13.050000000000
+HB3 -13.290000000000 -3.160000000000 14.280000000000
+C -15.950000000000 -5.170000000000 13.550000000000
+O -17.150000000000 -5.050000000000 13.740000000000
+N -15.480000000000 -6.020000000000 12.640000000000
+H -14.470000000000 -6.110000000000 12.570000000000
+CA -16.140000000000 -7.080000000000 11.900000000000
+HA -17.210000000000 -7.030000000000 12.100000000000
+CB -15.910000000000 -6.900000000000 10.400000000000
+HB1 -16.480000000000 -6.070000000000 9.980000000000
+HB2 -16.110000000000 -7.810000000000 9.840000000000
+HB3 -14.840000000000 -6.730000000000 10.420000000000
+C -15.550000000000 -8.410000000000 12.370000000000
+O -14.370000000000 -8.710000000000 12.230000000000
+N -16.460000000000 -9.110000000000 13.050000000000
+H -17.360000000000 -8.670000000000 13.140000000000
+CA -16.130000000000 -10.160000000000 14.000000000000
+HA -17.000000000000 -10.540000000000 14.540000000000
+CB -15.580000000000 -11.310000000000 13.160000000000
+HB1 -14.570000000000 -10.970000000000 12.920000000000
+HB2 -16.220000000000 -11.500000000000 12.290000000000
+HB3 -15.600000000000 -12.270000000000 13.660000000000
+C -15.270000000000 -9.590000000000 15.120000000000
+O -15.210000000000 -8.380000000000 15.290000000000
+N -14.680000000000 -10.480000000000 15.920000000000
+H -14.910000000000 -11.460000000000 15.900000000000
+CA -13.670000000000 -10.150000000000 16.910000000000
+HA -13.290000000000 -9.140000000000 16.780000000000
+CB -14.350000000000 -10.170000000000 18.280000000000
+HB1 -14.900000000000 -9.230000000000 18.340000000000
+HB2 -13.580000000000 -10.250000000000 19.050000000000
+HB3 -14.890000000000 -11.090000000000 18.480000000000
+C -12.510000000000 -11.130000000000 16.810000000000
+O -12.670000000000 -12.210000000000 16.250000000000
+N -11.300000000000 -10.730000000000 17.210000000000
+H -11.300000000000 -9.770000000000 17.520000000000
+CA -10.030000000000 -11.380000000000 16.990000000000
+HA -10.120000000000 -12.470000000000 16.930000000000
+CB -9.500000000000 -11.030000000000 15.600000000000
+HB1 -8.580000000000 -11.590000000000 15.420000000000
+HB2 -9.380000000000 -9.940000000000 15.570000000000
+HB3 -10.130000000000 -11.310000000000 14.760000000000
+C -9.010000000000 -11.120000000000 18.090000000000
+O -9.300000000000 -10.310000000000 18.970000000000
+N -7.840000000000 -11.750000000000 18.020000000000
+H -7.680000000000 -12.430000000000 17.290000000000
+CA -6.630000000000 -11.290000000000 18.680000000000
+HA -6.950000000000 -10.970000000000 19.660000000000
+CB -5.680000000000 -12.470000000000 18.880000000000
+HB1 -5.210000000000 -12.710000000000 17.920000000000
+HB2 -6.280000000000 -13.300000000000 19.240000000000
+HB3 -4.880000000000 -12.170000000000 19.550000000000
+C -6.010000000000 -10.140000000000 17.900000000000
+O -6.380000000000 -9.890000000000 16.750000000000
+N -5.090000000000 -9.420000000000 18.540000000000
+H -5.080000000000 -9.640000000000 19.530000000000
+CA -4.230000000000 -8.410000000000 17.960000000000
+HA -3.980000000000 -8.730000000000 16.950000000000
+CB -4.970000000000 -7.070000000000 17.860000000000
+HB1 -4.290000000000 -6.300000000000 17.500000000000
+HB2 -5.450000000000 -6.760000000000 18.780000000000
+HB3 -5.780000000000 -7.240000000000 17.150000000000
+C -2.960000000000 -8.250000000000 18.770000000000
+O -1.980000000000 -8.960000000000 18.540000000000
+N -2.920000000000 -7.390000000000 19.790000000000
+H -3.730000000000 -6.820000000000 20.010000000000
+CH3 -1.690000000000 -7.090000000000 20.490000000000
+HH31 -1.870000000000 -6.630000000000 21.460000000000
+HH32 -1.150000000000 -6.280000000000 19.990000000000
+HH33 -1.140000000000 -8.020000000000 20.600000000000
+132
+ 1000.000000000000 1000.000000000000 1000.000000000000
+HH31 -0.220000000000 -11.910000000000 15.110000000000
+CH3 -0.860000000000 -12.410000000000 15.830000000000
+HH32 -0.850000000000 -13.470000000000 15.590000000000
+HH33 -0.410000000000 -12.100000000000 16.770000000000
+C -2.340000000000 -12.070000000000 15.740000000000
+O -2.960000000000 -12.490000000000 14.760000000000
+N -2.850000000000 -11.280000000000 16.690000000000
+H -2.190000000000 -10.760000000000 17.240000000000
+CA -4.230000000000 -10.890000000000 16.900000000000
+HA -4.670000000000 -10.540000000000 15.960000000000
+CB -5.080000000000 -12.070000000000 17.380000000000
+HB1 -4.740000000000 -12.390000000000 18.370000000000
+HB2 -4.880000000000 -12.960000000000 16.790000000000
+HB3 -6.140000000000 -11.800000000000 17.380000000000
+C -4.330000000000 -9.750000000000 17.890000000000
+O -3.300000000000 -9.300000000000 18.410000000000
+N -5.530000000000 -9.230000000000 18.180000000000
+H -6.410000000000 -9.570000000000 17.820000000000
+CA -5.790000000000 -8.160000000000 19.110000000000
+HA -5.310000000000 -8.250000000000 20.080000000000
+CB -5.210000000000 -6.920000000000 18.440000000000
+HB1 -5.530000000000 -6.870000000000 17.400000000000
+HB2 -4.120000000000 -6.900000000000 18.480000000000
+HB3 -5.480000000000 -6.030000000000 19.010000000000
+C -7.290000000000 -8.070000000000 19.390000000000
+O -7.900000000000 -9.090000000000 19.100000000000
+N -7.800000000000 -7.030000000000 20.060000000000
+H -7.240000000000 -6.200000000000 20.140000000000
+CA -9.230000000000 -6.870000000000 20.190000000000
+HA -9.690000000000 -7.390000000000 19.350000000000
+CB -9.850000000000 -7.390000000000 21.490000000000
+HB1 -9.860000000000 -8.470000000000 21.590000000000
+HB2 -10.890000000000 -7.130000000000 21.620000000000
+HB3 -9.280000000000 -6.990000000000 22.340000000000
+C -9.600000000000 -5.390000000000 20.150000000000
+O -8.780000000000 -4.500000000000 20.320000000000
+N -10.830000000000 -5.030000000000 19.780000000000
+H -11.520000000000 -5.770000000000 19.660000000000
+CA -11.360000000000 -3.680000000000 19.730000000000
+HA -10.900000000000 -3.030000000000 20.470000000000
+CB -10.930000000000 -3.110000000000 18.380000000000
+HB1 -9.850000000000 -3.010000000000 18.340000000000
+HB2 -11.170000000000 -2.060000000000 18.270000000000
+HB3 -11.310000000000 -3.670000000000 17.520000000000
+C -12.870000000000 -3.550000000000 19.920000000000
+O -13.630000000000 -3.570000000000 18.950000000000
+N -13.300000000000 -3.480000000000 21.180000000000
+H -12.550000000000 -3.520000000000 21.850000000000
+CA -14.660000000000 -3.480000000000 21.670000000000
+HA -14.660000000000 -3.690000000000 22.740000000000
+CB -15.280000000000 -2.090000000000 21.540000000000
+HB1 -15.110000000000 -1.710000000000 20.540000000000
+HB2 -14.870000000000 -1.420000000000 22.300000000000
+HB3 -16.340000000000 -2.120000000000 21.830000000000
+C -15.360000000000 -4.670000000000 21.020000000000
+O -15.110000000000 -5.850000000000 21.240000000000
+N -16.280000000000 -4.370000000000 20.100000000000
+H -16.220000000000 -3.430000000000 19.730000000000
+CA -17.200000000000 -5.250000000000 19.400000000000
+HA -17.860000000000 -5.740000000000 20.100000000000
+CB -18.030000000000 -4.370000000000 18.470000000000
+HB1 -17.380000000000 -3.890000000000 17.740000000000
+HB2 -18.410000000000 -3.590000000000 19.140000000000
+HB3 -18.710000000000 -5.020000000000 17.930000000000
+C -16.480000000000 -6.220000000000 18.480000000000
+O -16.970000000000 -7.340000000000 18.320000000000
+N -15.330000000000 -5.820000000000 17.930000000000
+H -15.010000000000 -4.930000000000 18.260000000000
+CA -14.300000000000 -6.790000000000 17.600000000000
+HA -14.710000000000 -7.650000000000 17.070000000000
+CB -13.320000000000 -6.080000000000 16.670000000000
+HB1 -12.870000000000 -6.820000000000 16.020000000000
+HB2 -12.570000000000 -5.480000000000 17.190000000000
+HB3 -13.900000000000 -5.360000000000 16.090000000000
+C -13.780000000000 -7.440000000000 18.880000000000
+O -12.750000000000 -7.040000000000 19.420000000000
+N -14.520000000000 -8.390000000000 19.460000000000
+H -15.380000000000 -8.590000000000 18.970000000000
+CA -14.190000000000 -9.030000000000 20.720000000000
+HA -14.200000000000 -8.330000000000 21.560000000000
+CB -15.310000000000 -9.940000000000 21.220000000000
+HB1 -15.110000000000 -10.100000000000 22.280000000000
+HB2 -15.310000000000 -10.910000000000 20.730000000000
+HB3 -16.300000000000 -9.550000000000 20.970000000000
+C -12.830000000000 -9.700000000000 20.720000000000
+O -12.280000000000 -9.850000000000 21.810000000000
+N -12.430000000000 -10.210000000000 19.550000000000
+H -13.030000000000 -10.050000000000 18.760000000000
+CA -11.150000000000 -10.790000000000 19.180000000000
+HA -10.310000000000 -10.400000000000 19.750000000000
+CB -11.270000000000 -12.290000000000 19.410000000000
+HB1 -12.100000000000 -12.730000000000 18.870000000000
+HB2 -11.260000000000 -12.560000000000 20.470000000000
+HB3 -10.430000000000 -12.860000000000 19.010000000000
+C -11.000000000000 -10.660000000000 17.670000000000
+O -12.030000000000 -10.840000000000 17.030000000000
+N -9.800000000000 -10.440000000000 17.120000000000
+H -8.970000000000 -10.140000000000 17.600000000000
+CA -9.590000000000 -10.270000000000 15.700000000000
+HA -10.290000000000 -10.910000000000 15.180000000000
+CB -9.850000000000 -8.840000000000 15.220000000000
+HB1 -9.330000000000 -8.120000000000 15.850000000000
+HB2 -10.880000000000 -8.470000000000 15.270000000000
+HB3 -9.550000000000 -8.780000000000 14.180000000000
+C -8.180000000000 -10.790000000000 15.420000000000
+O -7.200000000000 -10.100000000000 15.670000000000
+N -8.100000000000 -11.920000000000 14.710000000000
+H -8.990000000000 -12.320000000000 14.470000000000
+CA -6.940000000000 -12.500000000000 14.050000000000
+HA -6.160000000000 -12.480000000000 14.810000000000
+CB -7.290000000000 -13.940000000000 13.710000000000
+HB1 -7.560000000000 -14.450000000000 14.640000000000
+HB2 -6.350000000000 -14.470000000000 13.530000000000
+HB3 -8.100000000000 -14.050000000000 12.990000000000
+C -6.430000000000 -11.580000000000 12.950000000000
+O -7.170000000000 -10.940000000000 12.200000000000
+N -5.100000000000 -11.440000000000 12.900000000000
+H -4.540000000000 -11.900000000000 13.610000000000
+CA -4.450000000000 -10.530000000000 11.990000000000
+HA -5.100000000000 -10.240000000000 11.170000000000
+CB -3.880000000000 -9.290000000000 12.680000000000
+HB1 -2.910000000000 -9.490000000000 13.140000000000
+HB2 -4.620000000000 -8.820000000000 13.330000000000
+HB3 -3.720000000000 -8.610000000000 11.850000000000
+C -3.320000000000 -11.210000000000 11.230000000000
+O -3.220000000000 -11.110000000000 10.010000000000
+N -2.490000000000 -11.960000000000 11.960000000000
+H -2.770000000000 -12.130000000000 12.920000000000
+CH3 -1.330000000000 -12.610000000000 11.390000000000
+HH31 -1.210000000000 -12.180000000000 10.400000000000
+HH32 -1.480000000000 -13.690000000000 11.460000000000
+HH33 -0.430000000000 -12.330000000000 11.930000000000
+132
+ 1000.000000000000 1000.000000000000 1000.000000000000
+HH31 -16.970000000000 -7.280000000000 17.140000000000
+CH3 -17.140000000000 -8.180000000000 17.730000000000
+HH32 -18.050000000000 -7.890000000000 18.250000000000
+HH33 -17.370000000000 -9.080000000000 17.160000000000
+C -15.890000000000 -8.340000000000 18.590000000000
+O -15.460000000000 -7.460000000000 19.330000000000
+N -15.310000000000 -9.520000000000 18.360000000000
+H -15.610000000000 -10.010000000000 17.530000000000
+CA -14.320000000000 -10.040000000000 19.290000000000
+HA -14.520000000000 -9.540000000000 20.230000000000
+CB -14.530000000000 -11.540000000000 19.480000000000
+HB1 -14.070000000000 -11.910000000000 20.390000000000
+HB2 -14.100000000000 -12.010000000000 18.590000000000
+HB3 -15.550000000000 -11.880000000000 19.650000000000
+C -12.940000000000 -9.510000000000 18.910000000000
+O -12.800000000000 -8.550000000000 18.170000000000
+N -11.920000000000 -10.210000000000 19.410000000000
+H -12.010000000000 -11.190000000000 19.630000000000
+CA -10.570000000000 -9.710000000000 19.600000000000
+HA -10.530000000000 -8.900000000000 20.330000000000
+CB -9.820000000000 -10.880000000000 20.220000000000
+HB1 -9.740000000000 -11.810000000000 19.660000000000
+HB2 -10.310000000000 -11.180000000000 21.150000000000
+HB3 -8.790000000000 -10.560000000000 20.380000000000
+C -9.950000000000 -9.180000000000 18.310000000000
+O -9.830000000000 -9.900000000000 17.320000000000
+N -9.500000000000 -7.930000000000 18.470000000000
+H -9.670000000000 -7.460000000000 19.350000000000
+CA -8.860000000000 -7.190000000000 17.410000000000
+HA -8.520000000000 -7.850000000000 16.610000000000
+CB -9.940000000000 -6.320000000000 16.770000000000
+HB1 -10.110000000000 -5.440000000000 17.380000000000
+HB2 -10.790000000000 -6.970000000000 16.530000000000
+HB3 -9.630000000000 -5.870000000000 15.820000000000
+C -7.590000000000 -6.470000000000 17.850000000000
+O -7.660000000000 -5.430000000000 18.510000000000
+N -6.450000000000 -7.110000000000 17.600000000000
+H -6.650000000000 -7.940000000000 17.060000000000
+CA -5.120000000000 -6.930000000000 18.130000000000
+HA -4.670000000000 -7.920000000000 18.040000000000
+CB -4.360000000000 -5.880000000000 17.320000000000
+HB1 -4.690000000000 -4.840000000000 17.430000000000
+HB2 -4.360000000000 -6.230000000000 16.290000000000
+HB3 -3.320000000000 -5.790000000000 17.640000000000
+C -5.030000000000 -6.590000000000 19.610000000000
+O -4.530000000000 -7.410000000000 20.380000000000
+N -5.450000000000 -5.400000000000 20.030000000000
+H -5.860000000000 -4.820000000000 19.310000000000
+CA -5.280000000000 -4.850000000000 21.370000000000
+HA -5.110000000000 -5.690000000000 22.050000000000
+CB -4.160000000000 -3.820000000000 21.420000000000
+HB1 -3.280000000000 -4.240000000000 20.940000000000
+HB2 -4.040000000000 -3.420000000000 22.420000000000
+HB3 -4.480000000000 -2.970000000000 20.810000000000
+C -6.610000000000 -4.260000000000 21.820000000000
+O -6.710000000000 -3.770000000000 22.940000000000
+N -7.680000000000 -4.310000000000 21.030000000000
+H -7.540000000000 -4.840000000000 20.180000000000
+CA -9.050000000000 -4.030000000000 21.440000000000
+HA -9.040000000000 -4.040000000000 22.530000000000
+CB -9.440000000000 -2.640000000000 20.940000000000
+HB1 -8.700000000000 -1.890000000000 21.240000000000
+HB2 -10.390000000000 -2.470000000000 21.450000000000
+HB3 -9.440000000000 -2.670000000000 19.850000000000
+C -9.960000000000 -5.130000000000 20.920000000000
+O -9.510000000000 -6.250000000000 20.690000000000
+N -11.250000000000 -4.900000000000 20.670000000000
+H -11.660000000000 -3.980000000000 20.710000000000
+CA -12.240000000000 -5.860000000000 20.220000000000
+HA -11.620000000000 -6.660000000000 19.800000000000
+CB -12.930000000000 -6.430000000000 21.460000000000
+HB1 -13.650000000000 -7.190000000000 21.150000000000
+HB2 -13.490000000000 -5.720000000000 22.060000000000
+HB3 -12.120000000000 -6.880000000000 22.040000000000
+C -13.060000000000 -5.200000000000 19.130000000000
+O -13.460000000000 -4.050000000000 19.290000000000
+N -13.100000000000 -5.790000000000 17.930000000000
+H -13.010000000000 -6.790000000000 18.030000000000
+CA -13.670000000000 -5.240000000000 16.710000000000
+HA -14.480000000000 -4.580000000000 17.030000000000
+CB -12.680000000000 -4.300000000000 16.040000000000
+HB1 -13.030000000000 -3.690000000000 15.200000000000
+HB2 -11.860000000000 -4.940000000000 15.690000000000
+HB3 -12.280000000000 -3.590000000000 16.760000000000
+C -14.310000000000 -6.230000000000 15.750000000000
+O -15.320000000000 -5.900000000000 15.140000000000
+N -13.810000000000 -7.460000000000 15.650000000000
+H -13.080000000000 -7.710000000000 16.300000000000
+CA -14.170000000000 -8.490000000000 14.690000000000
+HA -15.170000000000 -8.240000000000 14.360000000000
+CB -13.120000000000 -8.400000000000 13.580000000000
+HB1 -12.100000000000 -8.310000000000 13.960000000000
+HB2 -13.280000000000 -7.450000000000 13.070000000000
+HB3 -13.120000000000 -9.280000000000 12.940000000000
+C -14.250000000000 -9.860000000000 15.360000000000
+O -15.350000000000 -10.290000000000 15.690000000000
+N -13.170000000000 -10.640000000000 15.360000000000
+H -12.320000000000 -10.160000000000 15.080000000000
+CA -13.210000000000 -12.030000000000 15.770000000000
+HA -13.980000000000 -12.170000000000 16.530000000000
+CB -13.440000000000 -12.890000000000 14.530000000000
+HB1 -12.610000000000 -12.750000000000 13.840000000000
+HB2 -14.400000000000 -12.690000000000 14.040000000000
+HB3 -13.430000000000 -13.960000000000 14.700000000000
+C -11.880000000000 -12.380000000000 16.430000000000
+O -11.820000000000 -12.470000000000 17.650000000000
+N -10.850000000000 -12.850000000000 15.720000000000
+H -11.020000000000 -12.840000000000 14.730000000000
+CA -9.630000000000 -13.500000000000 16.140000000000
+HA -9.420000000000 -13.070000000000 17.120000000000
+CB -9.790000000000 -15.000000000000 16.330000000000
+HB1 -10.790000000000 -15.060000000000 16.760000000000
+HB2 -9.040000000000 -15.320000000000 17.050000000000
+HB3 -9.690000000000 -15.530000000000 15.380000000000
+C -8.410000000000 -13.120000000000 15.300000000000
+O -7.810000000000 -13.910000000000 14.580000000000
+N -8.110000000000 -11.830000000000 15.380000000000
+H -8.610000000000 -11.160000000000 15.950000000000
+CA -6.890000000000 -11.360000000000 14.760000000000
+HA -6.330000000000 -12.180000000000 14.290000000000
+CB -7.040000000000 -10.340000000000 13.640000000000
+HB1 -6.110000000000 -10.060000000000 13.160000000000
+HB2 -7.570000000000 -9.470000000000 14.020000000000
+HB3 -7.590000000000 -10.900000000000 12.880000000000
+C -6.080000000000 -10.700000000000 15.860000000000
+O -6.340000000000 -9.590000000000 16.300000000000
+N -5.010000000000 -11.370000000000 16.320000000000
+H -4.800000000000 -12.290000000000 15.960000000000
+CH3 -4.050000000000 -10.810000000000 17.240000000000
+HH31 -3.300000000000 -11.590000000000 17.420000000000
+HH32 -4.450000000000 -10.560000000000 18.220000000000
+HH33 -3.510000000000 -9.950000000000 16.830000000000
+132
+ 1000.000000000000 1000.000000000000 1000.000000000000
+HH31 -5.590000000000 -11.430000000000 25.900000000000
+CH3 -5.420000000000 -12.330000000000 25.310000000000
+HH32 -4.390000000000 -12.670000000000 25.250000000000
+HH33 -5.950000000000 -13.120000000000 25.840000000000
+C -6.110000000000 -12.010000000000 23.990000000000
+O -5.940000000000 -12.720000000000 23.000000000000
+N -6.820000000000 -10.880000000000 23.970000000000
+H -6.630000000000 -10.470000000000 24.870000000000
+CA -7.690000000000 -10.260000000000 22.980000000000
+HA -7.510000000000 -10.540000000000 21.940000000000
+CB -9.140000000000 -10.530000000000 23.350000000000
+HB1 -9.280000000000 -10.750000000000 24.410000000000
+HB2 -9.560000000000 -11.350000000000 22.760000000000
+HB3 -9.770000000000 -9.650000000000 23.220000000000
+C -7.530000000000 -8.760000000000 23.140000000000
+O -6.850000000000 -8.290000000000 24.040000000000
+N -8.120000000000 -7.990000000000 22.210000000000
+H -8.750000000000 -8.530000000000 21.630000000000
+CA -8.130000000000 -6.550000000000 22.320000000000
+HA -8.270000000000 -6.270000000000 23.360000000000
+CB -6.850000000000 -5.910000000000 21.780000000000
+HB1 -6.790000000000 -5.830000000000 20.700000000000
+HB2 -5.970000000000 -6.390000000000 22.200000000000
+HB3 -6.800000000000 -4.910000000000 22.210000000000
+C -9.340000000000 -5.930000000000 21.630000000000
+O -9.930000000000 -6.580000000000 20.770000000000
+N -9.660000000000 -4.690000000000 22.000000000000
+H -8.980000000000 -4.230000000000 22.590000000000
+CA -10.730000000000 -3.890000000000 21.440000000000
+HA -11.690000000000 -4.230000000000 21.840000000000
+CB -10.530000000000 -2.460000000000 21.940000000000
+HB1 -11.410000000000 -1.810000000000 21.950000000000
+HB2 -9.760000000000 -2.080000000000 21.270000000000
+HB3 -10.150000000000 -2.500000000000 22.960000000000
+C -10.820000000000 -3.970000000000 19.930000000000
+O -11.700000000000 -4.580000000000 19.330000000000
+N -9.810000000000 -3.420000000000 19.250000000000
+H -9.160000000000 -2.910000000000 19.830000000000
+CA -9.590000000000 -3.470000000000 17.820000000000
+HA -10.360000000000 -2.810000000000 17.400000000000
+CB -8.220000000000 -2.910000000000 17.450000000000
+HB1 -8.090000000000 -2.710000000000 16.390000000000
+HB2 -7.440000000000 -3.630000000000 17.730000000000
+HB3 -8.160000000000 -1.910000000000 17.880000000000
+C -9.670000000000 -4.840000000000 17.180000000000
+O -10.400000000000 -5.050000000000 16.210000000000
+N -8.940000000000 -5.810000000000 17.750000000000
+H -8.290000000000 -5.720000000000 18.520000000000
+CA -8.920000000000 -7.080000000000 17.050000000000
+HA -8.730000000000 -7.000000000000 15.980000000000
+CB -7.820000000000 -8.000000000000 17.560000000000
+HB1 -6.810000000000 -7.630000000000 17.400000000000
+HB2 -7.910000000000 -9.020000000000 17.170000000000
+HB3 -7.970000000000 -8.010000000000 18.640000000000
+C -10.240000000000 -7.830000000000 17.070000000000
+O -10.480000000000 -8.650000000000 16.180000000000
+N -11.040000000000 -7.660000000000 18.120000000000
+H -10.810000000000 -6.930000000000 18.780000000000
+CA -12.390000000000 -8.180000000000 18.260000000000
+HA -12.440000000000 -9.220000000000 17.950000000000
+CB -12.720000000000 -8.190000000000 19.750000000000
+HB1 -13.020000000000 -7.230000000000 20.170000000000
+HB2 -11.820000000000 -8.430000000000 20.300000000000
+HB3 -13.590000000000 -8.850000000000 19.870000000000
+C -13.340000000000 -7.410000000000 17.340000000000
+O -14.180000000000 -8.030000000000 16.700000000000
+N -13.090000000000 -6.100000000000 17.230000000000
+H -12.380000000000 -5.660000000000 17.790000000000
+CA -13.680000000000 -5.340000000000 16.140000000000
+HA -14.760000000000 -5.460000000000 16.250000000000
+CB -13.300000000000 -3.880000000000 16.340000000000
+HB1 -13.760000000000 -3.320000000000 15.520000000000
+HB2 -12.240000000000 -3.640000000000 16.260000000000
+HB3 -13.730000000000 -3.510000000000 17.270000000000
+C -13.460000000000 -5.950000000000 14.770000000000
+O -14.430000000000 -6.220000000000 14.060000000000
+N -12.240000000000 -6.300000000000 14.360000000000
+H -11.500000000000 -6.000000000000 14.980000000000
+CA -11.790000000000 -6.890000000000 13.120000000000
+HA -12.410000000000 -6.590000000000 12.270000000000
+CB -10.420000000000 -6.260000000000 12.850000000000
+HB1 -10.130000000000 -6.370000000000 11.800000000000
+HB2 -9.660000000000 -6.720000000000 13.480000000000
+HB3 -10.270000000000 -5.190000000000 12.950000000000
+C -11.770000000000 -8.410000000000 13.110000000000
+O -11.000000000000 -9.070000000000 12.420000000000
+N -12.750000000000 -8.970000000000 13.820000000000
+H -13.320000000000 -8.380000000000 14.410000000000
+CA -13.120000000000 -10.370000000000 13.910000000000
+HA -13.870000000000 -10.320000000000 14.700000000000
+CB -13.850000000000 -10.820000000000 12.650000000000
+HB1 -14.760000000000 -11.400000000000 12.800000000000
+HB2 -13.220000000000 -11.400000000000 11.980000000000
+HB3 -14.210000000000 -9.970000000000 12.070000000000
+C -12.110000000000 -11.340000000000 14.530000000000
+O -12.500000000000 -12.010000000000 15.490000000000
+N -10.830000000000 -11.380000000000 14.170000000000
+H -10.750000000000 -10.630000000000 13.490000000000
+CA -9.630000000000 -12.020000000000 14.660000000000
+HA -9.480000000000 -12.940000000000 14.090000000000
+CB -8.470000000000 -11.140000000000 14.210000000000
+HB1 -8.450000000000 -10.220000000000 14.800000000000
+HB2 -8.530000000000 -10.860000000000 13.160000000000
+HB3 -7.470000000000 -11.520000000000 14.440000000000
+C -9.690000000000 -12.250000000000 16.160000000000
+O -9.340000000000 -13.300000000000 16.700000000000
+N -10.140000000000 -11.270000000000 16.950000000000
+H -10.350000000000 -10.450000000000 16.400000000000
+CA -10.370000000000 -11.220000000000 18.380000000000
+HA -10.780000000000 -10.230000000000 18.580000000000
+CB -11.330000000000 -12.280000000000 18.890000000000
+HB1 -10.760000000000 -13.150000000000 19.210000000000
+HB2 -12.000000000000 -12.510000000000 18.060000000000
+HB3 -11.980000000000 -11.970000000000 19.710000000000
+C -9.090000000000 -11.190000000000 19.200000000000
+O -8.970000000000 -10.340000000000 20.080000000000
+N -8.130000000000 -12.070000000000 18.910000000000
+H -8.240000000000 -12.540000000000 18.020000000000
+CA -6.930000000000 -12.240000000000 19.710000000000
+HA -7.130000000000 -12.470000000000 20.750000000000
+CB -6.400000000000 -13.620000000000 19.330000000000
+HB1 -5.610000000000 -13.940000000000 20.010000000000
+HB2 -5.990000000000 -13.440000000000 18.330000000000
+HB3 -7.100000000000 -14.450000000000 19.310000000000
+C -5.920000000000 -11.110000000000 19.590000000000
+O -5.780000000000 -10.590000000000 18.490000000000
+N -5.240000000000 -10.740000000000 20.680000000000
+H -5.090000000000 -11.370000000000 21.460000000000
+CH3 -4.390000000000 -9.570000000000 20.730000000000
+HH31 -3.710000000000 -9.640000000000 19.880000000000
+HH32 -3.790000000000 -9.450000000000 21.640000000000
+HH33 -5.050000000000 -8.720000000000 20.650000000000
+132
+ 1000.000000000000 1000.000000000000 1000.000000000000
+HH31 -6.450000000000 -3.260000000000 25.960000000000
+CH3 -6.720000000000 -2.940000000000 24.950000000000
+HH32 -7.460000000000 -2.150000000000 25.060000000000
+HH33 -5.790000000000 -2.700000000000 24.430000000000
+C -7.390000000000 -4.070000000000 24.190000000000
+O -7.810000000000 -3.900000000000 23.050000000000
+N -7.540000000000 -5.210000000000 24.880000000000
+H -6.970000000000 -5.160000000000 25.710000000000
+CA -8.040000000000 -6.520000000000 24.530000000000
+HA -7.290000000000 -6.960000000000 23.870000000000
+CB -8.010000000000 -7.390000000000 25.790000000000
+HB1 -8.430000000000 -6.850000000000 26.640000000000
+HB2 -6.990000000000 -7.640000000000 26.090000000000
+HB3 -8.450000000000 -8.380000000000 25.720000000000
+C -9.370000000000 -6.420000000000 23.790000000000
+O -9.430000000000 -6.920000000000 22.670000000000
+N -10.340000000000 -5.610000000000 24.230000000000
+H -10.260000000000 -5.350000000000 25.200000000000
+CA -11.590000000000 -5.340000000000 23.540000000000
+HA -12.160000000000 -6.270000000000 23.510000000000
+CB -12.370000000000 -4.290000000000 24.320000000000
+HB1 -12.560000000000 -4.770000000000 25.280000000000
+HB2 -13.300000000000 -3.970000000000 23.850000000000
+HB3 -11.750000000000 -3.410000000000 24.520000000000
+C -11.350000000000 -4.940000000000 22.090000000000
+O -12.060000000000 -5.510000000000 21.270000000000
+N -10.490000000000 -3.990000000000 21.710000000000
+H -9.830000000000 -3.620000000000 22.370000000000
+CA -10.440000000000 -3.480000000000 20.350000000000
+HA -11.470000000000 -3.410000000000 19.990000000000
+CB -9.860000000000 -2.070000000000 20.360000000000
+HB1 -9.910000000000 -1.750000000000 19.320000000000
+HB2 -8.780000000000 -1.980000000000 20.530000000000
+HB3 -10.490000000000 -1.500000000000 21.050000000000
+C -9.690000000000 -4.410000000000 19.410000000000
+O -10.020000000000 -4.630000000000 18.240000000000
+N -8.690000000000 -5.060000000000 20.010000000000
+H -8.680000000000 -4.880000000000 21.000000000000
+CA -8.030000000000 -6.250000000000 19.530000000000
+HA -7.500000000000 -5.840000000000 18.670000000000
+CB -7.010000000000 -6.670000000000 20.590000000000
+HB1 -7.280000000000 -6.430000000000 21.610000000000
+HB2 -6.060000000000 -6.150000000000 20.490000000000
+HB3 -6.790000000000 -7.740000000000 20.540000000000
+C -8.890000000000 -7.390000000000 18.990000000000
+O -8.920000000000 -7.600000000000 17.780000000000
+N -9.730000000000 -7.970000000000 19.840000000000
+H -9.580000000000 -7.660000000000 20.790000000000
+CA -10.860000000000 -8.850000000000 19.600000000000
+HA -10.440000000000 -9.810000000000 19.280000000000
+CB -11.660000000000 -9.060000000000 20.880000000000
+HB1 -11.030000000000 -9.400000000000 21.700000000000
+HB2 -12.360000000000 -9.870000000000 20.670000000000
+HB3 -12.130000000000 -8.100000000000 21.110000000000
+C -11.730000000000 -8.300000000000 18.480000000000
+O -12.060000000000 -9.030000000000 17.560000000000
+N -12.140000000000 -7.030000000000 18.540000000000
+H -11.940000000000 -6.510000000000 19.380000000000
+CA -13.120000000000 -6.500000000000 17.610000000000
+HA -13.960000000000 -7.170000000000 17.460000000000
+CB -13.600000000000 -5.200000000000 18.240000000000
+HB1 -12.790000000000 -4.470000000000 18.240000000000
+HB2 -14.000000000000 -5.310000000000 19.240000000000
+HB3 -14.400000000000 -4.840000000000 17.590000000000
+C -12.610000000000 -6.190000000000 16.210000000000
+O -13.440000000000 -5.850000000000 15.370000000000
+N -11.320000000000 -6.440000000000 15.970000000000
+H -10.850000000000 -6.590000000000 16.850000000000
+CA -10.570000000000 -6.150000000000 14.760000000000
+HA -11.300000000000 -5.800000000000 14.030000000000
+CB -9.690000000000 -4.930000000000 15.020000000000
+HB1 -8.940000000000 -5.190000000000 15.770000000000
+HB2 -10.310000000000 -4.080000000000 15.300000000000
+HB3 -9.210000000000 -4.750000000000 14.060000000000
+C -9.700000000000 -7.270000000000 14.190000000000
+O -9.860000000000 -7.540000000000 13.000000000000
+N -8.760000000000 -7.810000000000 14.960000000000
+H -8.650000000000 -7.610000000000 15.940000000000
+CA -7.710000000000 -8.570000000000 14.300000000000
+HA -8.120000000000 -9.090000000000 13.440000000000
+CB -6.720000000000 -7.460000000000 13.970000000000
+HB1 -5.750000000000 -7.800000000000 13.610000000000
+HB2 -6.500000000000 -6.770000000000 14.790000000000
+HB3 -7.110000000000 -6.870000000000 13.140000000000
+C -7.060000000000 -9.620000000000 15.180000000000
+O -6.190000000000 -10.340000000000 14.680000000000
+N -7.460000000000 -9.770000000000 16.450000000000
+H -8.220000000000 -9.190000000000 16.770000000000
+CA -6.960000000000 -10.820000000000 17.310000000000
+HA -5.930000000000 -11.060000000000 17.020000000000
+CB -6.950000000000 -10.400000000000 18.770000000000
+HB1 -6.360000000000 -9.510000000000 19.000000000000
+HB2 -6.650000000000 -11.200000000000 19.450000000000
+HB3 -7.950000000000 -10.050000000000 19.010000000000
+C -7.760000000000 -12.090000000000 17.100000000000
+O -8.680000000000 -12.350000000000 17.880000000000
+N -7.560000000000 -12.700000000000 15.930000000000
+H -6.810000000000 -12.320000000000 15.380000000000
+CA -8.380000000000 -13.800000000000 15.440000000000
+HA -7.950000000000 -14.230000000000 14.530000000000
+CB -8.440000000000 -15.020000000000 16.350000000000
+HB1 -7.430000000000 -15.380000000000 16.530000000000
+HB2 -8.950000000000 -15.870000000000 15.900000000000
+HB3 -8.970000000000 -14.750000000000 17.260000000000
+C -9.760000000000 -13.380000000000 14.970000000000
+O -10.100000000000 -13.420000000000 13.790000000000
+N -10.610000000000 -12.940000000000 15.900000000000
+H -10.160000000000 -12.570000000000 16.730000000000
+CA -11.960000000000 -12.430000000000 15.780000000000
+HA -12.480000000000 -13.220000000000 15.240000000000
+CB -12.630000000000 -12.290000000000 17.150000000000
+HB1 -12.580000000000 -13.270000000000 17.610000000000
+HB2 -13.650000000000 -11.930000000000 16.980000000000
+HB3 -12.150000000000 -11.500000000000 17.730000000000
+C -12.050000000000 -11.160000000000 14.940000000000
+O -11.050000000000 -10.450000000000 14.840000000000
+N -13.260000000000 -10.810000000000 14.520000000000
+H -14.050000000000 -11.350000000000 14.830000000000
+CA -13.590000000000 -9.460000000000 14.100000000000
+HA -13.000000000000 -8.750000000000 14.670000000000
+CB -13.270000000000 -9.380000000000 12.610000000000
+HB1 -13.360000000000 -8.330000000000 12.310000000000
+HB2 -14.080000000000 -9.760000000000 11.990000000000
+HB3 -12.340000000000 -9.850000000000 12.290000000000
+C -15.070000000000 -9.210000000000 14.360000000000
+O -15.890000000000 -10.100000000000 14.110000000000
+N -15.500000000000 -8.040000000000 14.820000000000
+H -14.830000000000 -7.280000000000 14.890000000000
+CH3 -16.870000000000 -7.740000000000 15.180000000000
+HH31 -17.410000000000 -8.490000000000 15.760000000000
+HH32 -17.480000000000 -7.860000000000 14.280000000000
+HH33 -16.940000000000 -6.710000000000 15.540000000000
+132
+ 1000.000000000000 1000.000000000000 1000.000000000000
+HH31 -2.650000000000 -9.420000000000 23.090000000000
+CH3 -1.910000000000 -8.770000000000 22.630000000000
+HH32 -0.910000000000 -8.970000000000 23.030000000000
+HH33 -1.960000000000 -8.960000000000 21.560000000000
+C -2.200000000000 -7.290000000000 22.800000000000
+O -3.080000000000 -6.880000000000 23.560000000000
+N -1.470000000000 -6.470000000000 22.040000000000
+H -0.710000000000 -6.910000000000 21.550000000000
+CA -1.570000000000 -5.050000000000 21.760000000000
+HA -1.290000000000 -4.450000000000 22.630000000000
+CB -0.450000000000 -4.710000000000 20.780000000000
+HB1 -0.280000000000 -3.640000000000 20.800000000000
+HB2 -0.680000000000 -4.940000000000 19.740000000000
+HB3 0.540000000000 -5.070000000000 21.070000000000
+C -2.960000000000 -4.580000000000 21.370000000000
+O -3.490000000000 -3.610000000000 21.900000000000
+N -3.620000000000 -5.340000000000 20.490000000000
+H -3.240000000000 -6.250000000000 20.250000000000
+CA -4.930000000000 -5.030000000000 19.950000000000
+HA -5.460000000000 -4.260000000000 20.510000000000
+CB -4.660000000000 -4.450000000000 18.560000000000
+HB1 -4.270000000000 -3.430000000000 18.620000000000
+HB2 -5.560000000000 -4.550000000000 17.940000000000
+HB3 -3.870000000000 -4.960000000000 18.010000000000
+C -5.750000000000 -6.310000000000 19.950000000000
+O -5.240000000000 -7.400000000000 19.700000000000
+N -7.050000000000 -6.160000000000 20.180000000000
+H -7.500000000000 -5.260000000000 20.090000000000
+CA -8.040000000000 -7.220000000000 20.110000000000
+HA -7.790000000000 -7.870000000000 19.270000000000
+CB -7.930000000000 -8.150000000000 21.320000000000
+HB1 -8.690000000000 -8.930000000000 21.220000000000
+HB2 -8.290000000000 -7.630000000000 22.210000000000
+HB3 -6.910000000000 -8.520000000000 21.380000000000
+C -9.450000000000 -6.710000000000 19.900000000000
+O -9.780000000000 -5.610000000000 20.340000000000
+N -10.360000000000 -7.540000000000 19.380000000000
+H -10.060000000000 -8.430000000000 19.000000000000
+CA -11.770000000000 -7.240000000000 19.280000000000
+HA -12.110000000000 -6.780000000000 20.210000000000
+CB -12.200000000000 -6.180000000000 18.260000000000
+HB1 -11.830000000000 -5.180000000000 18.490000000000
+HB2 -13.270000000000 -5.980000000000 18.200000000000
+HB3 -11.780000000000 -6.510000000000 17.320000000000
+C -12.600000000000 -8.480000000000 18.970000000000
+O -12.040000000000 -9.350000000000 18.310000000000
+N -13.800000000000 -8.610000000000 19.550000000000
+H -14.220000000000 -7.770000000000 19.940000000000
+CA -14.730000000000 -9.680000000000 19.270000000000
+HA -14.510000000000 -10.060000000000 18.270000000000
+CB -14.510000000000 -10.870000000000 20.210000000000
+HB1 -14.670000000000 -10.680000000000 21.270000000000
+HB2 -13.490000000000 -11.190000000000 20.010000000000
+HB3 -15.170000000000 -11.710000000000 19.980000000000
+C -16.150000000000 -9.150000000000 19.290000000000
+O -16.480000000000 -8.170000000000 19.950000000000
+N -16.980000000000 -9.800000000000 18.470000000000
+H -16.500000000000 -10.480000000000 17.880000000000
+CA -18.220000000000 -9.470000000000 17.800000000000
+HA -18.410000000000 -10.390000000000 17.260000000000
+CB -19.360000000000 -9.420000000000 18.810000000000
+HB1 -19.170000000000 -10.120000000000 19.630000000000
+HB2 -20.280000000000 -9.720000000000 18.300000000000
+HB3 -19.480000000000 -8.430000000000 19.240000000000
+C -18.130000000000 -8.360000000000 16.760000000000
+O -18.690000000000 -8.510000000000 15.680000000000
+N -17.460000000000 -7.240000000000 17.080000000000
+H -17.180000000000 -7.170000000000 18.050000000000
+CA -17.130000000000 -6.180000000000 16.160000000000
+HA -17.990000000000 -5.980000000000 15.510000000000
+CB -16.870000000000 -4.860000000000 16.880000000000
+HB1 -17.690000000000 -4.560000000000 17.540000000000
+HB2 -16.660000000000 -4.070000000000 16.160000000000
+HB3 -16.050000000000 -5.040000000000 17.570000000000
+C -15.980000000000 -6.670000000000 15.280000000000
+O -14.830000000000 -6.360000000000 15.570000000000
+N -16.290000000000 -7.580000000000 14.350000000000
+H -17.280000000000 -7.790000000000 14.350000000000
+CA -15.430000000000 -8.600000000000 13.790000000000
+HA -16.030000000000 -9.340000000000 13.260000000000
+CB -14.510000000000 -8.030000000000 12.720000000000
+HB1 -13.630000000000 -7.580000000000 13.170000000000
+HB2 -15.030000000000 -7.390000000000 12.010000000000
+HB3 -14.090000000000 -8.860000000000 12.140000000000
+C -14.820000000000 -9.510000000000 14.850000000000
+O -15.370000000000 -9.650000000000 15.940000000000
+N -13.670000000000 -10.120000000000 14.580000000000
+H -13.290000000000 -10.080000000000 13.640000000000
+CA -12.940000000000 -11.040000000000 15.430000000000
+HA -13.010000000000 -10.960000000000 16.520000000000
+CB -13.580000000000 -12.390000000000 15.100000000000
+HB1 -13.490000000000 -12.530000000000 14.020000000000
+HB2 -14.650000000000 -12.410000000000 15.310000000000
+HB3 -13.130000000000 -13.230000000000 15.620000000000
+C -11.470000000000 -10.950000000000 15.070000000000
+O -11.060000000000 -11.380000000000 13.990000000000
+N -10.670000000000 -10.370000000000 15.970000000000
+H -11.080000000000 -10.220000000000 16.880000000000
+CA -9.300000000000 -10.000000000000 15.700000000000
+HA -8.950000000000 -10.650000000000 14.900000000000
+CB -9.310000000000 -8.580000000000 15.130000000000
+HB1 -8.290000000000 -8.250000000000 14.990000000000
+HB2 -9.750000000000 -7.930000000000 15.890000000000
+HB3 -9.940000000000 -8.470000000000 14.240000000000
+C -8.420000000000 -10.080000000000 16.940000000000
+O -8.910000000000 -9.930000000000 18.060000000000
+N -7.110000000000 -10.300000000000 16.810000000000
+H -6.710000000000 -10.520000000000 15.910000000000
+CA -6.160000000000 -10.220000000000 17.910000000000
+HA -6.480000000000 -9.360000000000 18.490000000000
+CB -6.120000000000 -11.460000000000 18.790000000000
+HB1 -6.910000000000 -11.510000000000 19.540000000000
+HB2 -5.300000000000 -11.390000000000 19.510000000000
+HB3 -6.170000000000 -12.370000000000 18.190000000000
+C -4.710000000000 -10.090000000000 17.470000000000
+O -4.380000000000 -10.730000000000 16.480000000000
+N -3.900000000000 -9.240000000000 18.110000000000
+H -4.210000000000 -8.580000000000 18.810000000000
+CA -2.620000000000 -8.870000000000 17.540000000000
+HA -2.150000000000 -9.760000000000 17.120000000000
+CB -2.880000000000 -7.750000000000 16.540000000000
+HB1 -2.990000000000 -6.740000000000 16.920000000000
+HB2 -3.750000000000 -8.020000000000 15.930000000000
+HB3 -2.040000000000 -7.720000000000 15.840000000000
+C -1.700000000000 -8.360000000000 18.630000000000
+O -2.040000000000 -7.600000000000 19.530000000000
+N -0.420000000000 -8.710000000000 18.440000000000
+H -0.260000000000 -9.320000000000 17.660000000000
+CH3 0.700000000000 -8.360000000000 19.290000000000
+HH31 1.380000000000 -7.760000000000 18.690000000000
+HH32 1.140000000000 -9.170000000000 19.880000000000
+HH33 0.420000000000 -7.710000000000 20.110000000000
+132
+ 1000.000000000000 1000.000000000000 1000.000000000000
+HH31 -12.240000000000 -7.010000000000 15.700000000000
+CH3 -12.110000000000 -8.000000000000 15.260000000000
+HH32 -12.880000000000 -8.720000000000 15.530000000000
+HH33 -12.100000000000 -7.860000000000 14.180000000000
+C -10.760000000000 -8.570000000000 15.690000000000
+O -10.360000000000 -9.600000000000 15.170000000000
+N -9.960000000000 -7.940000000000 16.560000000000
+H -10.480000000000 -7.150000000000 16.920000000000
+CA -8.550000000000 -8.140000000000 16.810000000000
+HA -8.300000000000 -9.000000000000 16.190000000000
+CB -7.730000000000 -6.950000000000 16.320000000000
+HB1 -8.010000000000 -6.120000000000 16.970000000000
+HB2 -8.030000000000 -6.700000000000 15.310000000000
+HB3 -6.670000000000 -7.200000000000 16.290000000000
+C -8.390000000000 -8.500000000000 18.270000000000
+O -7.610000000000 -7.890000000000 19.000000000000
+N -9.080000000000 -9.560000000000 18.710000000000
+H -9.840000000000 -9.970000000000 18.190000000000
+CA -9.160000000000 -9.950000000000 20.110000000000
+HA -9.930000000000 -10.720000000000 20.170000000000
+CB -7.820000000000 -10.580000000000 20.490000000000
+HB1 -7.470000000000 -11.400000000000 19.860000000000
+HB2 -7.990000000000 -11.020000000000 21.470000000000
+HB3 -7.000000000000 -9.860000000000 20.460000000000
+C -9.710000000000 -8.930000000000 21.110000000000
+O -10.740000000000 -9.150000000000 21.730000000000
+N -8.790000000000 -8.010000000000 21.420000000000
+H -8.070000000000 -7.990000000000 20.710000000000
+CA -8.970000000000 -6.890000000000 22.310000000000
+HA -9.960000000000 -6.850000000000 22.780000000000
+CB -8.010000000000 -7.120000000000 23.470000000000
+HB1 -7.870000000000 -6.220000000000 24.070000000000
+HB2 -7.020000000000 -7.440000000000 23.140000000000
+HB3 -8.430000000000 -7.840000000000 24.170000000000
+C -8.730000000000 -5.530000000000 21.660000000000
+O -9.260000000000 -4.520000000000 22.110000000000
+N -7.960000000000 -5.460000000000 20.570000000000
+H -7.920000000000 -6.310000000000 20.040000000000
+CA -7.220000000000 -4.280000000000 20.170000000000
+HA -6.580000000000 -3.970000000000 21.000000000000
+CB -6.170000000000 -4.830000000000 19.210000000000
+HB1 -5.450000000000 -5.380000000000 19.810000000000
+HB2 -5.630000000000 -3.970000000000 18.810000000000
+HB3 -6.480000000000 -5.460000000000 18.380000000000
+C -8.140000000000 -3.230000000000 19.570000000000
+O -8.290000000000 -3.160000000000 18.350000000000
+N -8.860000000000 -2.430000000000 20.350000000000
+H -8.800000000000 -2.550000000000 21.350000000000
+CA -9.910000000000 -1.490000000000 19.990000000000
+HA -10.210000000000 -0.970000000000 20.900000000000
+CB -9.490000000000 -0.440000000000 18.980000000000
+HB1 -9.210000000000 -0.970000000000 18.070000000000
+HB2 -8.640000000000 0.080000000000 19.420000000000
+HB3 -10.370000000000 0.180000000000 18.780000000000
+C -11.150000000000 -2.230000000000 19.500000000000
+O -12.270000000000 -1.860000000000 19.860000000000
+N -11.000000000000 -3.330000000000 18.770000000000
+H -10.060000000000 -3.520000000000 18.440000000000
+CA -12.060000000000 -4.140000000000 18.200000000000
+HA -13.040000000000 -3.660000000000 18.240000000000
+CB -11.610000000000 -4.270000000000 16.750000000000
+HB1 -10.820000000000 -4.980000000000 16.520000000000
+HB2 -11.300000000000 -3.340000000000 16.270000000000
+HB3 -12.410000000000 -4.610000000000 16.080000000000
+C -12.130000000000 -5.490000000000 18.900000000000
+O -11.350000000000 -6.350000000000 18.510000000000
+N -12.970000000000 -5.680000000000 19.920000000000
+H -13.570000000000 -4.890000000000 20.110000000000
+CA -12.950000000000 -6.710000000000 20.930000000000
+HA -11.970000000000 -7.190000000000 20.960000000000
+CB -13.130000000000 -6.030000000000 22.290000000000
+HB1 -14.170000000000 -5.720000000000 22.280000000000
+HB2 -12.470000000000 -5.170000000000 22.300000000000
+HB3 -12.820000000000 -6.740000000000 23.060000000000
+C -13.940000000000 -7.790000000000 20.540000000000
+O -15.060000000000 -7.840000000000 21.050000000000
+N -13.490000000000 -8.610000000000 19.580000000000
+H -12.590000000000 -8.370000000000 19.180000000000
+CA -13.990000000000 -9.900000000000 19.170000000000
+HA -14.140000000000 -10.500000000000 20.070000000000
+CB -15.360000000000 -9.720000000000 18.530000000000
+HB1 -16.070000000000 -9.370000000000 19.280000000000
+HB2 -15.740000000000 -10.710000000000 18.260000000000
+HB3 -15.360000000000 -9.080000000000 17.650000000000
+C -12.900000000000 -10.580000000000 18.360000000000
+O -11.730000000000 -10.190000000000 18.310000000000
+N -13.340000000000 -11.640000000000 17.660000000000
+H -14.300000000000 -11.870000000000 17.480000000000
+CA -12.430000000000 -12.460000000000 16.890000000000
+HA -11.410000000000 -12.080000000000 16.950000000000
+CB -12.400000000000 -13.840000000000 17.540000000000
+HB1 -11.860000000000 -13.960000000000 18.480000000000
+HB2 -11.910000000000 -14.520000000000 16.860000000000
+HB3 -13.390000000000 -14.270000000000 17.700000000000
+C -12.860000000000 -12.470000000000 15.430000000000
+O -13.940000000000 -12.970000000000 15.140000000000
+N -11.950000000000 -12.000000000000 14.580000000000
+H -11.200000000000 -11.430000000000 14.960000000000
+CA -11.940000000000 -12.280000000000 13.160000000000
+HA -12.230000000000 -13.330000000000 13.060000000000
+CB -12.900000000000 -11.350000000000 12.420000000000
+HB1 -13.920000000000 -11.660000000000 12.630000000000
+HB2 -12.640000000000 -11.320000000000 11.360000000000
+HB3 -12.800000000000 -10.320000000000 12.750000000000
+C -10.490000000000 -12.150000000000 12.700000000000
+O -9.970000000000 -13.180000000000 12.280000000000
+N -9.940000000000 -10.930000000000 12.670000000000
+H -10.510000000000 -10.260000000000 13.160000000000
+CA -8.560000000000 -10.630000000000 12.350000000000
+HA -8.330000000000 -10.820000000000 11.300000000000
+CB -8.250000000000 -9.150000000000 12.500000000000
+HB1 -8.180000000000 -8.860000000000 13.540000000000
+HB2 -8.950000000000 -8.460000000000 12.010000000000
+HB3 -7.320000000000 -8.790000000000 12.050000000000
+C -7.560000000000 -11.360000000000 13.250000000000
+O -6.520000000000 -11.800000000000 12.780000000000
+N -7.910000000000 -11.460000000000 14.540000000000
+H -8.790000000000 -11.060000000000 14.840000000000
+CA -7.050000000000 -11.880000000000 15.630000000000
+HA -7.560000000000 -11.550000000000 16.540000000000
+CB -7.090000000000 -13.410000000000 15.670000000000
+HB1 -6.900000000000 -13.830000000000 14.690000000000
+HB2 -8.000000000000 -13.760000000000 16.150000000000
+HB3 -6.280000000000 -13.700000000000 16.350000000000
+C -5.720000000000 -11.160000000000 15.510000000000
+O -5.630000000000 -9.940000000000 15.610000000000
+N -4.630000000000 -11.940000000000 15.400000000000
+H -4.860000000000 -12.910000000000 15.260000000000
+CH3 -3.310000000000 -11.370000000000 15.310000000000
+HH31 -2.960000000000 -11.210000000000 14.290000000000
+HH32 -2.630000000000 -12.150000000000 15.640000000000
+HH33 -3.270000000000 -10.510000000000 15.980000000000
+132
+ 1000.000000000000 1000.000000000000 1000.000000000000
+HH31 -3.260000000000 -9.210000000000 26.040000000000
+CH3 -4.040000000000 -8.480000000000 25.810000000000
+HH32 -4.820000000000 -8.480000000000 26.570000000000
+HH33 -3.670000000000 -7.450000000000 25.790000000000
+C -4.700000000000 -8.800000000000 24.480000000000
+O -4.090000000000 -9.340000000000 23.570000000000
+N -6.030000000000 -8.660000000000 24.430000000000
+H -6.380000000000 -8.300000000000 25.300000000000
+CA -6.790000000000 -8.680000000000 23.190000000000
+HA -6.510000000000 -9.510000000000 22.540000000000
+CB -8.270000000000 -8.910000000000 23.470000000000
+HB1 -8.810000000000 -8.420000000000 22.670000000000
+HB2 -8.620000000000 -8.540000000000 24.440000000000
+HB3 -8.510000000000 -9.970000000000 23.400000000000
+C -6.530000000000 -7.360000000000 22.480000000000
+O -6.680000000000 -6.290000000000 23.070000000000
+N -6.400000000000 -7.400000000000 21.150000000000
+H -6.260000000000 -8.330000000000 20.780000000000
+CA -6.370000000000 -6.300000000000 20.220000000000
+HA -5.750000000000 -5.540000000000 20.700000000000
+CB -5.640000000000 -6.720000000000 18.950000000000
+HB1 -5.960000000000 -7.700000000000 18.590000000000
+HB2 -4.580000000000 -6.700000000000 19.220000000000
+HB3 -5.720000000000 -6.010000000000 18.130000000000
+C -7.690000000000 -5.590000000000 19.930000000000
+O -8.250000000000 -5.630000000000 18.840000000000
+N -8.240000000000 -4.980000000000 20.980000000000
+H -7.850000000000 -5.290000000000 21.870000000000
+CA -9.310000000000 -4.000000000000 20.940000000000
+HA -9.670000000000 -4.080000000000 21.970000000000
+CB -8.670000000000 -2.630000000000 20.780000000000
+HB1 -8.180000000000 -2.650000000000 19.810000000000
+HB2 -7.900000000000 -2.480000000000 21.540000000000
+HB3 -9.350000000000 -1.790000000000 20.920000000000
+C -10.510000000000 -4.400000000000 20.100000000000
+O -11.160000000000 -5.430000000000 20.260000000000
+N -10.850000000000 -3.510000000000 19.170000000000
+H -10.470000000000 -2.570000000000 19.260000000000
+CA -12.000000000000 -3.670000000000 18.310000000000
+HA -12.920000000000 -3.720000000000 18.890000000000
+CB -12.070000000000 -2.350000000000 17.550000000000
+HB1 -12.200000000000 -1.630000000000 18.350000000000
+HB2 -12.920000000000 -2.380000000000 16.870000000000
+HB3 -11.150000000000 -2.140000000000 17.000000000000
+C -11.900000000000 -4.880000000000 17.380000000000
+O -12.860000000000 -5.620000000000 17.180000000000
+N -10.750000000000 -4.970000000000 16.710000000000
+H -10.110000000000 -4.260000000000 17.040000000000
+CA -10.320000000000 -6.120000000000 15.940000000000
+HA -10.920000000000 -6.100000000000 15.030000000000
+CB -8.850000000000 -5.930000000000 15.590000000000
+HB1 -8.600000000000 -4.870000000000 15.580000000000
+HB2 -8.760000000000 -6.330000000000 14.580000000000
+HB3 -8.190000000000 -6.520000000000 16.220000000000
+C -10.470000000000 -7.490000000000 16.580000000000
+O -10.860000000000 -8.450000000000 15.910000000000
+N -10.100000000000 -7.530000000000 17.860000000000
+H -9.660000000000 -6.700000000000 18.220000000000
+CA -10.360000000000 -8.710000000000 18.670000000000
+HA -10.110000000000 -9.630000000000 18.140000000000
+CB -9.380000000000 -8.630000000000 19.830000000000
+HB1 -8.380000000000 -8.580000000000 19.400000000000
+HB2 -9.400000000000 -9.460000000000 20.530000000000
+HB3 -9.570000000000 -7.700000000000 20.370000000000
+C -11.810000000000 -8.880000000000 19.120000000000
+O -12.340000000000 -9.980000000000 19.110000000000
+N -12.400000000000 -7.800000000000 19.630000000000
+H -11.940000000000 -6.900000000000 19.640000000000
+CA -13.800000000000 -7.840000000000 20.000000000000
+HA -13.870000000000 -8.620000000000 20.750000000000
+CB -14.130000000000 -6.510000000000 20.670000000000
+HB1 -13.430000000000 -6.240000000000 21.470000000000
+HB2 -15.110000000000 -6.510000000000 21.160000000000
+HB3 -14.120000000000 -5.720000000000 19.920000000000
+C -14.730000000000 -8.250000000000 18.860000000000
+O -15.770000000000 -8.820000000000 19.140000000000
+N -14.370000000000 -7.920000000000 17.620000000000
+H -13.700000000000 -7.180000000000 17.490000000000
+CA -15.130000000000 -8.390000000000 16.480000000000
+HA -16.160000000000 -8.530000000000 16.810000000000
+CB -15.170000000000 -7.210000000000 15.520000000000
+HB1 -15.690000000000 -6.460000000000 16.120000000000
+HB2 -15.730000000000 -7.550000000000 14.650000000000
+HB3 -14.110000000000 -7.040000000000 15.300000000000
+C -14.530000000000 -9.650000000000 15.870000000000
+O -15.060000000000 -10.260000000000 14.940000000000
+N -13.390000000000 -10.150000000000 16.350000000000
+H -13.010000000000 -9.830000000000 17.230000000000
+CA -12.820000000000 -11.410000000000 15.920000000000
+HA -11.930000000000 -11.430000000000 16.550000000000
+CB -13.660000000000 -12.580000000000 16.410000000000
+HB1 -14.540000000000 -12.460000000000 15.780000000000
+HB2 -14.020000000000 -12.480000000000 17.440000000000
+HB3 -13.130000000000 -13.520000000000 16.230000000000
+C -12.290000000000 -11.540000000000 14.500000000000
+O -12.400000000000 -12.540000000000 13.800000000000
+N -11.400000000000 -10.590000000000 14.200000000000
+H -11.310000000000 -9.910000000000 14.940000000000
+CA -10.530000000000 -10.620000000000 13.040000000000
+HA -10.910000000000 -11.350000000000 12.320000000000
+CB -10.500000000000 -9.210000000000 12.450000000000
+HB1 -10.080000000000 -9.320000000000 11.450000000000
+HB2 -9.860000000000 -8.610000000000 13.110000000000
+HB3 -11.510000000000 -8.860000000000 12.260000000000
+C -9.110000000000 -11.020000000000 13.390000000000
+O -8.470000000000 -11.800000000000 12.690000000000
+N -8.550000000000 -10.440000000000 14.460000000000
+H -9.110000000000 -9.770000000000 14.970000000000
+CA -7.120000000000 -10.520000000000 14.690000000000
+HA -6.700000000000 -11.440000000000 14.280000000000
+CB -6.490000000000 -9.310000000000 14.020000000000
+HB1 -5.410000000000 -9.460000000000 14.140000000000
+HB2 -6.760000000000 -8.360000000000 14.480000000000
+HB3 -6.790000000000 -9.390000000000 12.980000000000
+C -7.000000000000 -10.490000000000 16.210000000000
+O -6.920000000000 -9.430000000000 16.820000000000
+N -7.220000000000 -11.630000000000 16.880000000000
+H -7.250000000000 -12.530000000000 16.410000000000
+CA -7.320000000000 -11.690000000000 18.320000000000
+HA -8.300000000000 -11.300000000000 18.600000000000
+CB -7.350000000000 -13.150000000000 18.750000000000
+HB1 -6.390000000000 -13.640000000000 18.570000000000
+HB2 -8.260000000000 -13.660000000000 18.460000000000
+HB3 -7.420000000000 -13.200000000000 19.840000000000
+C -6.310000000000 -10.950000000000 19.190000000000
+O -6.710000000000 -10.370000000000 20.190000000000
+N -5.010000000000 -11.070000000000 18.890000000000
+H -4.730000000000 -11.550000000000 18.050000000000
+CH3 -3.880000000000 -10.510000000000 19.610000000000
+HH31 -3.000000000000 -11.050000000000 19.270000000000
+HH32 -4.200000000000 -10.610000000000 20.640000000000
+HH33 -3.670000000000 -9.460000000000 19.370000000000
+132
+ 1000.000000000000 1000.000000000000 1000.000000000000
+HH31 -2.640000000000 -11.910000000000 17.430000000000
+CH3 -3.630000000000 -11.480000000000 17.520000000000
+HH32 -3.550000000000 -10.570000000000 16.930000000000
+HH33 -4.260000000000 -12.250000000000 17.060000000000
+C -4.200000000000 -11.290000000000 18.920000000000
+O -4.590000000000 -12.240000000000 19.600000000000
+N -4.230000000000 -10.030000000000 19.340000000000
+H -4.180000000000 -9.330000000000 18.610000000000
+CA -4.380000000000 -9.470000000000 20.670000000000
+HA -4.690000000000 -10.160000000000 21.450000000000
+CB -2.990000000000 -8.940000000000 21.010000000000
+HB1 -2.650000000000 -8.240000000000 20.250000000000
+HB2 -2.260000000000 -9.750000000000 20.960000000000
+HB3 -2.970000000000 -8.380000000000 21.940000000000
+C -5.400000000000 -8.340000000000 20.750000000000
+O -6.470000000000 -8.510000000000 21.330000000000
+N -5.100000000000 -7.200000000000 20.130000000000
+H -4.210000000000 -7.120000000000 19.640000000000
+CA -5.980000000000 -6.050000000000 20.080000000000
+HA -6.420000000000 -6.000000000000 21.080000000000
+CB -5.260000000000 -4.760000000000 19.720000000000
+HB1 -5.970000000000 -3.930000000000 19.720000000000
+HB2 -4.890000000000 -4.930000000000 18.710000000000
+HB3 -4.390000000000 -4.560000000000 20.330000000000
+C -7.120000000000 -6.320000000000 19.110000000000
+O -7.060000000000 -5.940000000000 17.940000000000
+N -8.190000000000 -6.820000000000 19.740000000000
+H -8.170000000000 -7.230000000000 20.670000000000
+CA -9.520000000000 -6.750000000000 19.180000000000
+HA -9.620000000000 -7.290000000000 18.240000000000
+CB -10.500000000000 -7.350000000000 20.180000000000
+HB1 -11.530000000000 -7.340000000000 19.820000000000
+HB2 -10.650000000000 -6.950000000000 21.180000000000
+HB3 -10.280000000000 -8.420000000000 20.230000000000
+C -9.960000000000 -5.320000000000 18.900000000000
+O -10.110000000000 -4.460000000000 19.770000000000
+N -10.070000000000 -5.050000000000 17.600000000000
+H -9.630000000000 -5.620000000000 16.890000000000
+CA -10.810000000000 -3.920000000000 17.080000000000
+HA -10.490000000000 -3.110000000000 17.720000000000
+CB -10.610000000000 -3.570000000000 15.610000000000
+HB1 -10.680000000000 -4.480000000000 15.020000000000
+HB2 -9.600000000000 -3.210000000000 15.410000000000
+HB3 -11.180000000000 -2.710000000000 15.260000000000
+C -12.310000000000 -4.050000000000 17.340000000000
+O -13.090000000000 -4.410000000000 16.460000000000
+N -12.710000000000 -3.940000000000 18.610000000000
+H -11.960000000000 -3.740000000000 19.250000000000
+CA -13.990000000000 -4.330000000000 19.170000000000
+HA -13.840000000000 -4.090000000000 20.220000000000
+CB -15.090000000000 -3.400000000000 18.650000000000
+HB1 -15.340000000000 -3.640000000000 17.620000000000
+HB2 -14.840000000000 -2.340000000000 18.680000000000
+HB3 -15.990000000000 -3.470000000000 19.270000000000
+C -14.440000000000 -5.770000000000 19.030000000000
+O -14.500000000000 -6.480000000000 20.040000000000
+N -14.720000000000 -6.190000000000 17.790000000000
+H -14.630000000000 -5.370000000000 17.200000000000
+CA -15.070000000000 -7.510000000000 17.330000000000
+HA -16.150000000000 -7.620000000000 17.440000000000
+CB -14.760000000000 -7.410000000000 15.840000000000
+HB1 -14.940000000000 -8.250000000000 15.170000000000
+HB2 -13.750000000000 -7.100000000000 15.580000000000
+HB3 -15.460000000000 -6.650000000000 15.500000000000
+C -14.500000000000 -8.670000000000 18.140000000000
+O -13.470000000000 -9.200000000000 17.740000000000
+N -15.180000000000 -9.180000000000 19.170000000000
+H -15.990000000000 -8.640000000000 19.430000000000
+CA -14.650000000000 -9.980000000000 20.260000000000
+HA -13.970000000000 -9.280000000000 20.730000000000
+CB -15.770000000000 -10.340000000000 21.230000000000
+HB1 -16.020000000000 -9.400000000000 21.730000000000
+HB2 -15.430000000000 -10.940000000000 22.070000000000
+HB3 -16.590000000000 -10.810000000000 20.700000000000
+C -13.930000000000 -11.250000000000 19.820000000000
+O -14.600000000000 -12.190000000000 19.380000000000
+N -12.600000000000 -11.290000000000 19.880000000000
+H -12.100000000000 -10.470000000000 20.210000000000
+CA -11.700000000000 -12.190000000000 19.190000000000
+HA -10.730000000000 -11.820000000000 19.520000000000
+CB -11.820000000000 -13.570000000000 19.840000000000
+HB1 -11.020000000000 -14.210000000000 19.450000000000
+HB2 -12.810000000000 -14.030000000000 19.770000000000
+HB3 -11.730000000000 -13.610000000000 20.920000000000
+C -11.710000000000 -12.240000000000 17.670000000000
+O -10.650000000000 -12.240000000000 17.040000000000
+N -12.850000000000 -11.960000000000 17.040000000000
+H -13.660000000000 -12.010000000000 17.640000000000
+CA -13.030000000000 -11.790000000000 15.610000000000
+HA -12.880000000000 -12.750000000000 15.110000000000
+CB -14.470000000000 -11.350000000000 15.360000000000
+HB1 -14.470000000000 -10.860000000000 14.380000000000
+HB2 -14.750000000000 -10.670000000000 16.160000000000
+HB3 -15.200000000000 -12.160000000000 15.280000000000
+C -12.080000000000 -10.890000000000 14.830000000000
+O -11.790000000000 -11.080000000000 13.650000000000
+N -11.530000000000 -9.860000000000 15.480000000000
+H -11.710000000000 -9.730000000000 16.460000000000
+CA -10.540000000000 -8.990000000000 14.880000000000
+HA -10.040000000000 -9.590000000000 14.110000000000
+CB -11.210000000000 -7.780000000000 14.230000000000
+HB1 -12.160000000000 -8.120000000000 13.830000000000
+HB2 -10.610000000000 -7.280000000000 13.470000000000
+HB3 -11.310000000000 -6.990000000000 14.960000000000
+C -9.390000000000 -8.710000000000 15.830000000000
+O -8.900000000000 -7.580000000000 15.810000000000
+N -8.940000000000 -9.660000000000 16.660000000000
+H -9.360000000000 -10.560000000000 16.500000000000
+CA -7.690000000000 -9.700000000000 17.380000000000
+HA -7.750000000000 -8.940000000000 18.160000000000
+CB -7.540000000000 -11.030000000000 18.120000000000
+HB1 -8.510000000000 -11.360000000000 18.470000000000
+HB2 -6.940000000000 -10.760000000000 18.990000000000
+HB3 -7.010000000000 -11.770000000000 17.510000000000
+C -6.500000000000 -9.400000000000 16.480000000000
+O -6.080000000000 -10.350000000000 15.820000000000
+N -6.060000000000 -8.140000000000 16.470000000000
+H -6.530000000000 -7.440000000000 17.010000000000
+CA -5.190000000000 -7.610000000000 15.440000000000
+HA -4.940000000000 -8.400000000000 14.730000000000
+CB -5.870000000000 -6.500000000000 14.640000000000
+HB1 -6.600000000000 -6.990000000000 14.000000000000
+HB2 -5.180000000000 -5.910000000000 14.030000000000
+HB3 -6.220000000000 -5.890000000000 15.480000000000
+C -3.830000000000 -7.250000000000 16.030000000000
+O -3.640000000000 -7.480000000000 17.220000000000
+N -2.850000000000 -6.880000000000 15.190000000000
+H -2.980000000000 -6.730000000000 14.200000000000
+CH3 -1.570000000000 -6.520000000000 15.750000000000
+HH31 -1.210000000000 -7.170000000000 16.550000000000
+HH32 -1.630000000000 -5.540000000000 16.230000000000
+HH33 -0.800000000000 -6.480000000000 14.970000000000
+132
+ 1000.000000000000 1000.000000000000 1000.000000000000
+HH31 -6.270000000000 -5.390000000000 21.840000000000
+CH3 -6.970000000000 -6.220000000000 21.830000000000
+HH32 -7.030000000000 -6.630000000000 20.820000000000
+HH33 -6.670000000000 -7.040000000000 22.480000000000
+C -8.390000000000 -5.780000000000 22.180000000000
+O -8.730000000000 -4.630000000000 21.920000000000
+N -9.170000000000 -6.670000000000 22.780000000000
+H -8.870000000000 -7.630000000000 22.830000000000
+CA -10.500000000000 -6.330000000000 23.270000000000
+HA -11.040000000000 -5.870000000000 22.440000000000
+CB -11.270000000000 -7.570000000000 23.680000000000
+HB1 -10.870000000000 -8.420000000000 23.120000000000
+HB2 -12.310000000000 -7.460000000000 23.360000000000
+HB3 -11.200000000000 -7.780000000000 24.750000000000
+C -10.440000000000 -5.280000000000 24.380000000000
+O -11.320000000000 -4.420000000000 24.470000000000
+N -9.610000000000 -5.400000000000 25.410000000000
+H -9.110000000000 -6.270000000000 25.350000000000
+CA -9.530000000000 -4.470000000000 26.520000000000
+HA -10.490000000000 -4.030000000000 26.810000000000
+CB -9.080000000000 -5.270000000000 27.730000000000
+HB1 -8.200000000000 -5.890000000000 27.550000000000
+HB2 -9.920000000000 -5.860000000000 28.090000000000
+HB3 -8.840000000000 -4.620000000000 28.570000000000
+C -8.650000000000 -3.290000000000 26.150000000000
+O -7.570000000000 -3.040000000000 26.680000000000
+N -9.100000000000 -2.680000000000 25.050000000000
+H -9.990000000000 -3.000000000000 24.690000000000
+CA -8.400000000000 -1.680000000000 24.270000000000
+HA -8.140000000000 -0.840000000000 24.930000000000
+CB -7.070000000000 -2.220000000000 23.750000000000
+HB1 -7.280000000000 -3.190000000000 23.290000000000
+HB2 -6.280000000000 -2.380000000000 24.500000000000
+HB3 -6.620000000000 -1.510000000000 23.060000000000
+C -9.370000000000 -1.130000000000 23.240000000000
+O -9.930000000000 -0.060000000000 23.460000000000
+N -9.620000000000 -1.890000000000 22.160000000000
+H -9.300000000000 -2.850000000000 22.200000000000
+CA -10.350000000000 -1.500000000000 20.980000000000
+HA -11.020000000000 -0.690000000000 21.300000000000
+CB -9.290000000000 -1.020000000000 20.000000000000
+HB1 -8.830000000000 -1.890000000000 19.530000000000
+HB2 -8.620000000000 -0.290000000000 20.450000000000
+HB3 -9.700000000000 -0.500000000000 19.130000000000
+C -11.340000000000 -2.570000000000 20.560000000000
+O -12.540000000000 -2.350000000000 20.740000000000
+N -10.890000000000 -3.760000000000 20.140000000000
+H -9.910000000000 -3.960000000000 20.020000000000
+CA -11.730000000000 -4.870000000000 19.760000000000
+HA -12.480000000000 -5.120000000000 20.520000000000
+CB -12.500000000000 -4.490000000000 18.500000000000
+HB1 -13.040000000000 -3.550000000000 18.640000000000
+HB2 -13.200000000000 -5.250000000000 18.150000000000
+HB3 -11.780000000000 -4.330000000000 17.700000000000
+C -10.860000000000 -6.060000000000 19.370000000000
+O -9.660000000000 -5.910000000000 19.120000000000
+N -11.480000000000 -7.240000000000 19.380000000000
+H -12.470000000000 -7.220000000000 19.560000000000
+CA -10.900000000000 -8.470000000000 18.900000000000
+HA -9.890000000000 -8.580000000000 19.290000000000
+CB -11.720000000000 -9.610000000000 19.490000000000
+HB1 -12.760000000000 -9.440000000000 19.200000000000
+HB2 -11.710000000000 -9.560000000000 20.580000000000
+HB3 -11.450000000000 -10.630000000000 19.240000000000
+C -10.830000000000 -8.470000000000 17.380000000000
+O -11.350000000000 -9.400000000000 16.770000000000
+N -10.100000000000 -7.580000000000 16.710000000000
+H -9.740000000000 -6.840000000000 17.300000000000
+CA -10.190000000000 -7.310000000000 15.290000000000
+HA -11.230000000000 -7.050000000000 15.050000000000
+CB -9.480000000000 -6.000000000000 14.960000000000
+HB1 -8.420000000000 -5.960000000000 15.220000000000
+HB2 -10.070000000000 -5.280000000000 15.540000000000
+HB3 -9.620000000000 -5.830000000000 13.890000000000
+C -9.690000000000 -8.410000000000 14.370000000000
+O -10.440000000000 -9.130000000000 13.710000000000
+N -8.380000000000 -8.630000000000 14.300000000000
+H -7.640000000000 -8.140000000000 14.780000000000
+CA -7.780000000000 -9.820000000000 13.730000000000
+HA -7.960000000000 -9.720000000000 12.660000000000
+CB -6.270000000000 -9.690000000000 13.910000000000
+HB1 -5.660000000000 -10.520000000000 13.560000000000
+HB2 -6.010000000000 -9.560000000000 14.960000000000
+HB3 -5.860000000000 -8.870000000000 13.310000000000
+C -8.360000000000 -11.130000000000 14.240000000000
+O -8.500000000000 -12.060000000000 13.450000000000
+N -8.680000000000 -11.270000000000 15.530000000000
+H -8.480000000000 -10.540000000000 16.200000000000
+CA -9.110000000000 -12.540000000000 16.080000000000
+HA -8.320000000000 -13.270000000000 15.930000000000
+CB -9.230000000000 -12.430000000000 17.600000000000
+HB1 -9.660000000000 -13.350000000000 18.000000000000
+HB2 -10.040000000000 -11.740000000000 17.810000000000
+HB3 -8.300000000000 -12.010000000000 17.980000000000
+C -10.430000000000 -13.060000000000 15.510000000000
+O -10.600000000000 -14.170000000000 15.030000000000
+N -11.410000000000 -12.160000000000 15.430000000000
+H -11.330000000000 -11.280000000000 15.910000000000
+CA -12.740000000000 -12.400000000000 14.900000000000
+HA -13.140000000000 -13.310000000000 15.350000000000
+CB -13.600000000000 -11.240000000000 15.380000000000
+HB1 -13.430000000000 -11.110000000000 16.450000000000
+HB2 -14.620000000000 -11.570000000000 15.190000000000
+HB3 -13.480000000000 -10.370000000000 14.730000000000
+C -12.750000000000 -12.500000000000 13.380000000000
+O -13.510000000000 -13.260000000000 12.800000000000
+N -11.920000000000 -11.710000000000 12.690000000000
+H -11.240000000000 -11.080000000000 13.080000000000
+CA -11.510000000000 -11.980000000000 11.330000000000
+HA -12.370000000000 -11.760000000000 10.690000000000
+CB -10.420000000000 -11.020000000000 10.880000000000
+HB1 -10.340000000000 -11.110000000000 9.800000000000
+HB2 -9.440000000000 -11.360000000000 11.230000000000
+HB3 -10.720000000000 -10.010000000000 11.150000000000
+C -10.890000000000 -13.330000000000 10.980000000000
+O -11.350000000000 -13.980000000000 10.040000000000
+N -9.900000000000 -13.870000000000 11.680000000000
+H -9.410000000000 -13.200000000000 12.260000000000
+CA -9.420000000000 -15.220000000000 11.460000000000
+HA -9.180000000000 -15.330000000000 10.400000000000
+CB -8.120000000000 -15.320000000000 12.250000000000
+HB1 -7.400000000000 -14.550000000000 11.980000000000
+HB2 -7.640000000000 -16.290000000000 12.080000000000
+HB3 -8.260000000000 -15.160000000000 13.320000000000
+C -10.470000000000 -16.240000000000 11.860000000000
+O -10.770000000000 -17.200000000000 11.160000000000
+N -10.890000000000 -16.160000000000 13.130000000000
+H -10.570000000000 -15.340000000000 13.630000000000
+CH3 -11.570000000000 -17.210000000000 13.850000000000
+HH31 -11.950000000000 -17.940000000000 13.130000000000
+HH32 -12.450000000000 -16.720000000000 14.270000000000
+HH33 -10.870000000000 -17.660000000000 14.550000000000
+132
+ 1000.000000000000 1000.000000000000 1000.000000000000
+HH31 -2.900000000000 -4.940000000000 22.510000000000
+CH3 -3.550000000000 -4.220000000000 23.010000000000
+HH32 -3.130000000000 -3.700000000000 23.880000000000
+HH33 -3.850000000000 -3.470000000000 22.280000000000
+C -4.690000000000 -5.060000000000 23.570000000000
+O -4.400000000000 -6.130000000000 24.100000000000
+N -5.900000000000 -4.500000000000 23.620000000000
+H -6.060000000000 -3.660000000000 23.080000000000
+CA -7.020000000000 -4.970000000000 24.410000000000
+HA -6.980000000000 -6.060000000000 24.360000000000
+CB -6.760000000000 -4.640000000000 25.870000000000
+HB1 -5.740000000000 -4.910000000000 26.150000000000
+HB2 -7.350000000000 -5.340000000000 26.460000000000
+HB3 -6.910000000000 -3.590000000000 26.110000000000
+C -8.360000000000 -4.440000000000 23.910000000000
+O -8.480000000000 -4.100000000000 22.740000000000
+N -9.320000000000 -4.370000000000 24.840000000000
+H -9.170000000000 -4.700000000000 25.780000000000
+CA -10.650000000000 -3.820000000000 24.690000000000
+HA -11.220000000000 -4.320000000000 25.480000000000
+CB -10.600000000000 -2.320000000000 24.940000000000
+HB1 -11.620000000000 -1.960000000000 24.820000000000
+HB2 -9.930000000000 -1.820000000000 24.240000000000
+HB3 -10.220000000000 -2.110000000000 25.940000000000
+C -11.270000000000 -4.330000000000 23.400000000000
+O -11.460000000000 -5.520000000000 23.120000000000
+N -11.580000000000 -3.380000000000 22.520000000000
+H -11.470000000000 -2.440000000000 22.860000000000
+CA -12.110000000000 -3.610000000000 21.190000000000
+HA -13.000000000000 -4.230000000000 21.340000000000
+CB -12.350000000000 -2.220000000000 20.610000000000
+HB1 -12.800000000000 -2.440000000000 19.640000000000
+HB2 -11.450000000000 -1.630000000000 20.470000000000
+HB3 -12.960000000000 -1.580000000000 21.250000000000
+C -11.100000000000 -4.230000000000 20.240000000000
+O -11.450000000000 -4.980000000000 19.340000000000
+N -9.830000000000 -3.820000000000 20.320000000000
+H -9.500000000000 -3.310000000000 21.130000000000
+CA -8.820000000000 -4.200000000000 19.360000000000
+HA -9.200000000000 -3.860000000000 18.390000000000
+CB -7.540000000000 -3.370000000000 19.470000000000
+HB1 -6.830000000000 -3.630000000000 18.700000000000
+HB2 -7.090000000000 -3.470000000000 20.460000000000
+HB3 -7.690000000000 -2.330000000000 19.200000000000
+C -8.640000000000 -5.710000000000 19.320000000000
+O -8.760000000000 -6.270000000000 18.230000000000
+N -8.500000000000 -6.330000000000 20.490000000000
+H -8.460000000000 -5.750000000000 21.310000000000
+CA -8.500000000000 -7.760000000000 20.750000000000
+HA -7.600000000000 -8.260000000000 20.420000000000
+CB -8.500000000000 -8.020000000000 22.260000000000
+HB1 -8.420000000000 -9.100000000000 22.280000000000
+HB2 -9.410000000000 -7.670000000000 22.750000000000
+HB3 -7.640000000000 -7.540000000000 22.730000000000
+C -9.640000000000 -8.430000000000 20.000000000000
+O -9.440000000000 -9.300000000000 19.160000000000
+N -10.880000000000 -8.020000000000 20.300000000000
+H -10.930000000000 -7.250000000000 20.950000000000
+CA -12.130000000000 -8.490000000000 19.740000000000
+HA -12.100000000000 -9.540000000000 20.010000000000
+CB -13.290000000000 -7.760000000000 20.430000000000
+HB1 -13.550000000000 -8.170000000000 21.400000000000
+HB2 -14.180000000000 -7.960000000000 19.840000000000
+HB3 -13.130000000000 -6.680000000000 20.480000000000
+C -12.180000000000 -8.400000000000 18.220000000000
+O -12.550000000000 -9.380000000000 17.580000000000
+N -11.830000000000 -7.260000000000 17.630000000000
+H -11.630000000000 -6.470000000000 18.230000000000
+CA -11.580000000000 -7.140000000000 16.210000000000
+HA -12.520000000000 -7.470000000000 15.770000000000
+CB -11.190000000000 -5.680000000000 15.980000000000
+HB1 -11.220000000000 -5.490000000000 14.900000000000
+HB2 -10.200000000000 -5.460000000000 16.390000000000
+HB3 -11.880000000000 -5.000000000000 16.470000000000
+C -10.520000000000 -8.130000000000 15.740000000000
+O -10.700000000000 -8.820000000000 14.740000000000
+N -9.420000000000 -8.270000000000 16.480000000000
+H -9.330000000000 -7.640000000000 17.270000000000
+CA -8.340000000000 -9.180000000000 16.150000000000
+HA -7.970000000000 -8.970000000000 15.150000000000
+CB -7.090000000000 -9.010000000000 17.010000000000
+HB1 -6.270000000000 -9.460000000000 16.450000000000
+HB2 -7.270000000000 -9.400000000000 18.010000000000
+HB3 -6.880000000000 -7.950000000000 17.120000000000
+C -8.860000000000 -10.600000000000 16.090000000000
+O -8.630000000000 -11.310000000000 15.110000000000
+N -9.610000000000 -11.040000000000 17.110000000000
+H -9.730000000000 -10.500000000000 17.960000000000
+CA -10.240000000000 -12.340000000000 17.040000000000
+HA -9.470000000000 -13.090000000000 16.870000000000
+CB -10.870000000000 -12.780000000000 18.360000000000
+HB1 -10.130000000000 -12.890000000000 19.160000000000
+HB2 -11.330000000000 -13.760000000000 18.300000000000
+HB3 -11.680000000000 -12.070000000000 18.540000000000
+C -11.250000000000 -12.420000000000 15.900000000000
+O -11.310000000000 -13.380000000000 15.140000000000
+N -12.080000000000 -11.400000000000 15.640000000000
+H -12.030000000000 -10.580000000000 16.220000000000
+CA -13.240000000000 -11.570000000000 14.790000000000
+HA -13.830000000000 -12.440000000000 15.090000000000
+CB -14.150000000000 -10.360000000000 14.960000000000
+HB1 -14.670000000000 -10.420000000000 15.920000000000
+HB2 -14.960000000000 -10.500000000000 14.250000000000
+HB3 -13.670000000000 -9.380000000000 14.900000000000
+C -12.860000000000 -11.710000000000 13.330000000000
+O -13.260000000000 -12.590000000000 12.570000000000
+N -11.990000000000 -10.810000000000 12.860000000000
+H -11.490000000000 -10.220000000000 13.510000000000
+CA -11.530000000000 -10.650000000000 11.500000000000
+HA -12.330000000000 -10.860000000000 10.790000000000
+CB -11.040000000000 -9.230000000000 11.250000000000
+HB1 -10.470000000000 -9.210000000000 10.320000000000
+HB2 -10.380000000000 -8.770000000000 11.980000000000
+HB3 -11.870000000000 -8.530000000000 11.090000000000
+C -10.400000000000 -11.610000000000 11.130000000000
+O -10.290000000000 -11.960000000000 9.960000000000
+N -9.560000000000 -11.940000000000 12.120000000000
+H -9.800000000000 -11.500000000000 13.000000000000
+CA -8.410000000000 -12.800000000000 11.910000000000
+HA -8.430000000000 -13.240000000000 10.910000000000
+CB -7.180000000000 -11.920000000000 12.060000000000
+HB1 -6.350000000000 -12.630000000000 12.150000000000
+HB2 -7.220000000000 -11.470000000000 13.050000000000
+HB3 -6.860000000000 -11.210000000000 11.290000000000
+C -8.440000000000 -14.070000000000 12.750000000000
+O -8.600000000000 -15.130000000000 12.170000000000
+N -8.290000000000 -14.000000000000 14.080000000000
+H -8.320000000000 -13.050000000000 14.430000000000
+CH3 -8.340000000000 -15.140000000000 14.970000000000
+HH31 -9.380000000000 -15.340000000000 15.250000000000
+HH32 -7.720000000000 -14.960000000000 15.840000000000
+HH33 -8.060000000000 -16.080000000000 14.480000000000
+132
+ 1000.000000000000 1000.000000000000 1000.000000000000
+HH31 0.720000000000 -10.160000000000 18.870000000000
+CH3 0.340000000000 -9.160000000000 19.120000000000
+HH32 0.470000000000 -8.870000000000 20.160000000000
+HH33 0.760000000000 -8.310000000000 18.590000000000
+C -1.140000000000 -9.270000000000 18.790000000000
+O -1.530000000000 -9.710000000000 17.720000000000
+N -2.070000000000 -8.870000000000 19.660000000000
+H -1.740000000000 -8.480000000000 20.540000000000
+CA -3.510000000000 -8.990000000000 19.620000000000
+HA -3.860000000000 -9.270000000000 18.620000000000
+CB -4.040000000000 -9.980000000000 20.650000000000
+HB1 -5.130000000000 -9.970000000000 20.710000000000
+HB2 -3.690000000000 -9.630000000000 21.620000000000
+HB3 -3.830000000000 -11.020000000000 20.410000000000
+C -4.150000000000 -7.630000000000 19.890000000000
+O -4.260000000000 -7.210000000000 21.040000000000
+N -4.570000000000 -6.920000000000 18.840000000000
+H -4.410000000000 -7.290000000000 17.910000000000
+CA -5.330000000000 -5.710000000000 19.020000000000
+HA -5.000000000000 -5.100000000000 19.860000000000
+CB -5.230000000000 -4.720000000000 17.860000000000
+HB1 -4.190000000000 -4.510000000000 17.630000000000
+HB2 -5.780000000000 -3.810000000000 18.110000000000
+HB3 -5.620000000000 -5.270000000000 17.000000000000
+C -6.790000000000 -6.100000000000 19.230000000000
+O -7.380000000000 -6.820000000000 18.430000000000
+N -7.390000000000 -5.630000000000 20.330000000000
+H -6.890000000000 -5.210000000000 21.100000000000
+CA -8.760000000000 -5.940000000000 20.680000000000
+HA -8.690000000000 -7.020000000000 20.750000000000
+CB -9.040000000000 -5.340000000000 22.050000000000
+HB1 -8.940000000000 -4.250000000000 22.000000000000
+HB2 -8.460000000000 -5.750000000000 22.880000000000
+HB3 -10.110000000000 -5.450000000000 22.250000000000
+C -9.810000000000 -5.560000000000 19.640000000000
+O -9.720000000000 -4.490000000000 19.050000000000
+N -10.790000000000 -6.440000000000 19.410000000000
+H -10.790000000000 -7.250000000000 20.020000000000
+CA -11.860000000000 -6.100000000000 18.500000000000
+HA -11.910000000000 -5.020000000000 18.350000000000
+CB -11.560000000000 -6.660000000000 17.120000000000
+HB1 -11.370000000000 -7.730000000000 17.120000000000
+HB2 -10.760000000000 -6.040000000000 16.710000000000
+HB3 -12.420000000000 -6.500000000000 16.470000000000
+C -13.200000000000 -6.550000000000 19.060000000000
+O -14.250000000000 -6.000000000000 18.720000000000
+N -13.270000000000 -7.620000000000 19.860000000000
+H -12.350000000000 -8.030000000000 19.990000000000
+CA -14.370000000000 -8.190000000000 20.610000000000
+HA -13.940000000000 -9.180000000000 20.750000000000
+CB -14.610000000000 -7.510000000000 21.950000000000
+HB1 -15.590000000000 -7.850000000000 22.290000000000
+HB2 -14.790000000000 -6.450000000000 21.790000000000
+HB3 -13.800000000000 -7.850000000000 22.600000000000
+C -15.680000000000 -8.330000000000 19.850000000000
+O -16.070000000000 -9.440000000000 19.480000000000
+N -16.390000000000 -7.220000000000 19.640000000000
+H -15.780000000000 -6.470000000000 19.950000000000
+CA -17.490000000000 -7.010000000000 18.720000000000
+HA -18.320000000000 -7.530000000000 19.210000000000
+CB -17.830000000000 -5.530000000000 18.660000000000
+HB1 -16.940000000000 -4.890000000000 18.650000000000
+HB2 -18.480000000000 -5.230000000000 19.480000000000
+HB3 -18.390000000000 -5.210000000000 17.780000000000
+C -17.290000000000 -7.620000000000 17.340000000000
+O -18.060000000000 -8.430000000000 16.840000000000
+N -16.170000000000 -7.290000000000 16.690000000000
+H -15.460000000000 -6.810000000000 17.220000000000
+CA -15.960000000000 -7.600000000000 15.280000000000
+HA -16.880000000000 -7.900000000000 14.790000000000
+CB -15.480000000000 -6.350000000000 14.550000000000
+HB1 -16.190000000000 -5.540000000000 14.700000000000
+HB2 -15.410000000000 -6.570000000000 13.490000000000
+HB3 -14.480000000000 -6.200000000000 14.960000000000
+C -15.100000000000 -8.840000000000 15.150000000000
+O -14.060000000000 -8.880000000000 14.490000000000
+N -15.560000000000 -9.850000000000 15.900000000000
+H -16.490000000000 -9.730000000000 16.260000000000
+CA -14.800000000000 -10.900000000000 16.540000000000
+HA -15.510000000000 -11.320000000000 17.260000000000
+CB -14.530000000000 -12.090000000000 15.620000000000
+HB1 -14.180000000000 -11.690000000000 14.680000000000
+HB2 -15.440000000000 -12.670000000000 15.480000000000
+HB3 -13.690000000000 -12.650000000000 16.040000000000
+C -13.620000000000 -10.420000000000 17.380000000000
+O -13.310000000000 -9.240000000000 17.490000000000
+N -13.000000000000 -11.340000000000 18.120000000000
+H -13.210000000000 -12.320000000000 18.010000000000
+CA -12.240000000000 -11.120000000000 19.330000000000
+HA -12.940000000000 -10.800000000000 20.110000000000
+CB -11.610000000000 -12.440000000000 19.780000000000
+HB1 -10.950000000000 -12.820000000000 19.010000000000
+HB2 -12.380000000000 -13.170000000000 20.040000000000
+HB3 -11.020000000000 -12.280000000000 20.680000000000
+C -11.100000000000 -10.130000000000 19.180000000000
+O -11.060000000000 -9.150000000000 19.920000000000
+N -10.120000000000 -10.360000000000 18.300000000000
+H -10.200000000000 -11.260000000000 17.860000000000
+CA -8.930000000000 -9.550000000000 18.210000000000
+HA -9.240000000000 -8.510000000000 18.290000000000
+CB -7.960000000000 -9.880000000000 19.330000000000
+HB1 -8.400000000000 -9.530000000000 20.260000000000
+HB2 -6.990000000000 -9.380000000000 19.310000000000
+HB3 -7.880000000000 -10.970000000000 19.340000000000
+C -8.260000000000 -9.770000000000 16.860000000000
+O -8.570000000000 -10.750000000000 16.190000000000
+N -7.370000000000 -8.820000000000 16.540000000000
+H -7.310000000000 -7.970000000000 17.080000000000
+CA -6.680000000000 -8.820000000000 15.260000000000
+HA -6.880000000000 -9.750000000000 14.720000000000
+CB -7.140000000000 -7.700000000000 14.340000000000
+HB1 -8.200000000000 -7.780000000000 14.080000000000
+HB2 -6.610000000000 -7.750000000000 13.390000000000
+HB3 -7.040000000000 -6.800000000000 14.950000000000
+C -5.180000000000 -8.810000000000 15.500000000000
+O -4.670000000000 -8.200000000000 16.440000000000
+N -4.380000000000 -9.460000000000 14.650000000000
+H -4.810000000000 -9.840000000000 13.820000000000
+CA -2.930000000000 -9.450000000000 14.650000000000
+HA -2.660000000000 -9.840000000000 15.630000000000
+CB -2.440000000000 -10.470000000000 13.620000000000
+HB1 -2.940000000000 -10.190000000000 12.700000000000
+HB2 -2.700000000000 -11.490000000000 13.890000000000
+HB3 -1.350000000000 -10.430000000000 13.540000000000
+C -2.350000000000 -8.090000000000 14.300000000000
+O -2.770000000000 -7.440000000000 13.350000000000
+N -1.410000000000 -7.640000000000 15.140000000000
+H -1.030000000000 -8.280000000000 15.830000000000
+CH3 -0.780000000000 -6.350000000000 14.930000000000
+HH31 0.190000000000 -6.290000000000 15.420000000000
+HH32 -1.490000000000 -5.670000000000 15.400000000000
+HH33 -0.740000000000 -6.170000000000 13.860000000000
diff --git a/regtest/basic/rt54/helix-sub.gro.reference b/regtest/basic/rt54/helix-sub.gro.reference
index ace75e242be67fea4582bbac592b103fd72758cc..1600268fb3472e19655aaf6c491dce84a9c2be77 100644
--- a/regtest/basic/rt54/helix-sub.gro.reference
+++ b/regtest/basic/rt54/helix-sub.gro.reference
@@ -1,192 +1,192 @@
Made with PLUMED t=0.000000
13
- 1ACE HH31 1 -0.911 -0.240 2.180 0.0000 0.0000 0.0000
- 1ACE CH3 2 -0.893 -0.335 2.231 0.0000 0.0000 0.0000
- 1ACE HH32 3 -0.950 -0.350 2.322 0.0000 0.0000 0.0000
- 1ACE HH33 4 -0.907 -0.417 2.160 0.0000 0.0000 0.0000
- 1ACE C 5 -0.745 -0.330 2.266 0.0000 0.0000 0.0000
- 1ACE O 6 -0.691 -0.221 2.283 0.0000 0.0000 0.0000
- 14NME N 127 -0.292 -0.739 1.979 0.0000 0.0000 0.0000
- 14NME H 128 -0.373 -0.682 2.001 0.0000 0.0000 0.0000
- 14NME CH3 129 -0.169 -0.709 2.049 0.0000 0.0000 0.0000
- 14NME HH31 130 -0.187 -0.663 2.146 0.0000 0.0000 0.0000
- 14NME HH32 131 -0.115 -0.628 1.999 0.0000 0.0000 0.0000
- 14NME HH33 132 -0.114 -0.802 2.060 0.0000 0.0000 0.0000
- 0 X 133 -0.529 -0.510 2.140 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -0.911 -0.240 2.180
+ 1ACE CH3 2 -0.893 -0.335 2.231
+ 1ACE HH32 3 -0.950 -0.350 2.322
+ 1ACE HH33 4 -0.907 -0.417 2.160
+ 1ACE C 5 -0.745 -0.330 2.266
+ 1ACE O 6 -0.691 -0.221 2.283
+ 14NME N 127 -0.292 -0.739 1.979
+ 14NME H 128 -0.373 -0.682 2.001
+ 14NME CH3 129 -0.169 -0.709 2.049
+ 14NME HH31 130 -0.187 -0.663 2.146
+ 14NME HH32 131 -0.115 -0.628 1.999
+ 14NME HH33 132 -0.114 -0.802 2.060
+ 0 X 133 -0.529 -0.510 2.140
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.050000
13
- 1ACE HH31 1 -0.022 -1.191 1.511 0.0000 0.0000 0.0000
- 1ACE CH3 2 -0.086 -1.241 1.583 0.0000 0.0000 0.0000
- 1ACE HH32 3 -0.085 -1.347 1.559 0.0000 0.0000 0.0000
- 1ACE HH33 4 -0.041 -1.210 1.677 0.0000 0.0000 0.0000
- 1ACE C 5 -0.234 -1.207 1.574 0.0000 0.0000 0.0000
- 1ACE O 6 -0.296 -1.249 1.476 0.0000 0.0000 0.0000
- 14NME N 127 -0.249 -1.196 1.196 0.0000 0.0000 0.0000
- 14NME H 128 -0.277 -1.213 1.292 0.0000 0.0000 0.0000
- 14NME CH3 129 -0.133 -1.261 1.139 0.0000 0.0000 0.0000
- 14NME HH31 130 -0.121 -1.218 1.040 0.0000 0.0000 0.0000
- 14NME HH32 131 -0.148 -1.369 1.146 0.0000 0.0000 0.0000
- 14NME HH33 132 -0.043 -1.233 1.193 0.0000 0.0000 0.0000
- 0 X 133 -0.145 -1.245 1.365 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -0.022 -1.191 1.511
+ 1ACE CH3 2 -0.086 -1.241 1.583
+ 1ACE HH32 3 -0.085 -1.347 1.559
+ 1ACE HH33 4 -0.041 -1.210 1.677
+ 1ACE C 5 -0.234 -1.207 1.574
+ 1ACE O 6 -0.296 -1.249 1.476
+ 14NME N 127 -0.249 -1.196 1.196
+ 14NME H 128 -0.277 -1.213 1.292
+ 14NME CH3 129 -0.133 -1.261 1.139
+ 14NME HH31 130 -0.121 -1.218 1.040
+ 14NME HH32 131 -0.148 -1.369 1.146
+ 14NME HH33 132 -0.043 -1.233 1.193
+ 0 X 133 -0.145 -1.245 1.365
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.100000
13
- 1ACE HH31 1 -1.697 -0.728 1.714 0.0000 0.0000 0.0000
- 1ACE CH3 2 -1.714 -0.818 1.773 0.0000 0.0000 0.0000
- 1ACE HH32 3 -1.805 -0.789 1.825 0.0000 0.0000 0.0000
- 1ACE HH33 4 -1.737 -0.908 1.716 0.0000 0.0000 0.0000
- 1ACE C 5 -1.589 -0.834 1.859 0.0000 0.0000 0.0000
- 1ACE O 6 -1.546 -0.746 1.933 0.0000 0.0000 0.0000
- 14NME N 127 -0.501 -1.137 1.632 0.0000 0.0000 0.0000
- 14NME H 128 -0.480 -1.229 1.596 0.0000 0.0000 0.0000
- 14NME CH3 129 -0.405 -1.081 1.724 0.0000 0.0000 0.0000
- 14NME HH31 130 -0.330 -1.159 1.742 0.0000 0.0000 0.0000
- 14NME HH32 131 -0.445 -1.056 1.822 0.0000 0.0000 0.0000
- 14NME HH33 132 -0.351 -0.995 1.683 0.0000 0.0000 0.0000
- 0 X 133 -1.050 -0.957 1.752 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -1.697 -0.728 1.714
+ 1ACE CH3 2 -1.714 -0.818 1.773
+ 1ACE HH32 3 -1.805 -0.789 1.825
+ 1ACE HH33 4 -1.737 -0.908 1.716
+ 1ACE C 5 -1.589 -0.834 1.859
+ 1ACE O 6 -1.546 -0.746 1.933
+ 14NME N 127 -0.501 -1.137 1.632
+ 14NME H 128 -0.480 -1.229 1.596
+ 14NME CH3 129 -0.405 -1.081 1.724
+ 14NME HH31 130 -0.330 -1.159 1.742
+ 14NME HH32 131 -0.445 -1.056 1.822
+ 14NME HH33 132 -0.351 -0.995 1.683
+ 0 X 133 -1.050 -0.957 1.752
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.150000
13
- 1ACE HH31 1 -0.559 -1.143 2.590 0.0000 0.0000 0.0000
- 1ACE CH3 2 -0.542 -1.233 2.531 0.0000 0.0000 0.0000
- 1ACE HH32 3 -0.439 -1.267 2.525 0.0000 0.0000 0.0000
- 1ACE HH33 4 -0.595 -1.312 2.584 0.0000 0.0000 0.0000
- 1ACE C 5 -0.611 -1.201 2.399 0.0000 0.0000 0.0000
- 1ACE O 6 -0.594 -1.272 2.300 0.0000 0.0000 0.0000
- 14NME N 127 -0.524 -1.074 2.068 0.0000 0.0000 0.0000
- 14NME H 128 -0.509 -1.137 2.146 0.0000 0.0000 0.0000
- 14NME CH3 129 -0.439 -0.957 2.073 0.0000 0.0000 0.0000
- 14NME HH31 130 -0.371 -0.964 1.988 0.0000 0.0000 0.0000
- 14NME HH32 131 -0.379 -0.945 2.164 0.0000 0.0000 0.0000
- 14NME HH33 132 -0.505 -0.872 2.065 0.0000 0.0000 0.0000
- 0 X 133 -0.506 -1.115 2.286 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -0.559 -1.143 2.590
+ 1ACE CH3 2 -0.542 -1.233 2.531
+ 1ACE HH32 3 -0.439 -1.267 2.525
+ 1ACE HH33 4 -0.595 -1.312 2.584
+ 1ACE C 5 -0.611 -1.201 2.399
+ 1ACE O 6 -0.594 -1.272 2.300
+ 14NME N 127 -0.524 -1.074 2.068
+ 14NME H 128 -0.509 -1.137 2.146
+ 14NME CH3 129 -0.439 -0.957 2.073
+ 14NME HH31 130 -0.371 -0.964 1.988
+ 14NME HH32 131 -0.379 -0.945 2.164
+ 14NME HH33 132 -0.505 -0.872 2.065
+ 0 X 133 -0.506 -1.115 2.286
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.200000
13
- 1ACE HH31 1 -0.645 -0.326 2.596 0.0000 0.0000 0.0000
- 1ACE CH3 2 -0.672 -0.294 2.495 0.0000 0.0000 0.0000
- 1ACE HH32 3 -0.746 -0.215 2.506 0.0000 0.0000 0.0000
- 1ACE HH33 4 -0.579 -0.270 2.443 0.0000 0.0000 0.0000
- 1ACE C 5 -0.739 -0.407 2.419 0.0000 0.0000 0.0000
- 1ACE O 6 -0.781 -0.390 2.305 0.0000 0.0000 0.0000
- 14NME N 127 -1.550 -0.804 1.482 0.0000 0.0000 0.0000
- 14NME H 128 -1.483 -0.728 1.489 0.0000 0.0000 0.0000
- 14NME CH3 129 -1.687 -0.774 1.518 0.0000 0.0000 0.0000
- 14NME HH31 130 -1.741 -0.849 1.576 0.0000 0.0000 0.0000
- 14NME HH32 131 -1.748 -0.786 1.428 0.0000 0.0000 0.0000
- 14NME HH33 132 -1.694 -0.671 1.554 0.0000 0.0000 0.0000
- 0 X 133 -1.172 -0.543 1.984 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -0.645 -0.326 2.596
+ 1ACE CH3 2 -0.672 -0.294 2.495
+ 1ACE HH32 3 -0.746 -0.215 2.506
+ 1ACE HH33 4 -0.579 -0.270 2.443
+ 1ACE C 5 -0.739 -0.407 2.419
+ 1ACE O 6 -0.781 -0.390 2.305
+ 14NME N 127 -1.550 -0.804 1.482
+ 14NME H 128 -1.483 -0.728 1.489
+ 14NME CH3 129 -1.687 -0.774 1.518
+ 14NME HH31 130 -1.741 -0.849 1.576
+ 14NME HH32 131 -1.748 -0.786 1.428
+ 14NME HH33 132 -1.694 -0.671 1.554
+ 0 X 133 -1.172 -0.543 1.984
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.250000
13
- 1ACE HH31 1 -0.265 -0.942 2.309 0.0000 0.0000 0.0000
- 1ACE CH3 2 -0.191 -0.877 2.263 0.0000 0.0000 0.0000
- 1ACE HH32 3 -0.091 -0.897 2.303 0.0000 0.0000 0.0000
- 1ACE HH33 4 -0.196 -0.896 2.156 0.0000 0.0000 0.0000
- 1ACE C 5 -0.220 -0.729 2.280 0.0000 0.0000 0.0000
- 1ACE O 6 -0.308 -0.688 2.356 0.0000 0.0000 0.0000
- 14NME N 127 -0.042 -0.871 1.844 0.0000 0.0000 0.0000
- 14NME H 128 -0.026 -0.932 1.766 0.0000 0.0000 0.0000
- 14NME CH3 129 0.070 -0.836 1.929 0.0000 0.0000 0.0000
- 14NME HH31 130 0.138 -0.776 1.869 0.0000 0.0000 0.0000
- 14NME HH32 131 0.114 -0.917 1.988 0.0000 0.0000 0.0000
- 14NME HH33 132 0.042 -0.771 2.011 0.0000 0.0000 0.0000
- 0 X 133 -0.081 -0.844 2.090 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -0.265 -0.942 2.309
+ 1ACE CH3 2 -0.191 -0.877 2.263
+ 1ACE HH32 3 -0.091 -0.897 2.303
+ 1ACE HH33 4 -0.196 -0.896 2.156
+ 1ACE C 5 -0.220 -0.729 2.280
+ 1ACE O 6 -0.308 -0.688 2.356
+ 14NME N 127 -0.042 -0.871 1.844
+ 14NME H 128 -0.026 -0.932 1.766
+ 14NME CH3 129 0.070 -0.836 1.929
+ 14NME HH31 130 0.138 -0.776 1.869
+ 14NME HH32 131 0.114 -0.917 1.988
+ 14NME HH33 132 0.042 -0.771 2.011
+ 0 X 133 -0.081 -0.844 2.090
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.300000
13
- 1ACE HH31 1 -1.224 -0.701 1.570 0.0000 0.0000 0.0000
- 1ACE CH3 2 -1.211 -0.800 1.526 0.0000 0.0000 0.0000
- 1ACE HH32 3 -1.288 -0.872 1.553 0.0000 0.0000 0.0000
- 1ACE HH33 4 -1.210 -0.786 1.418 0.0000 0.0000 0.0000
- 1ACE C 5 -1.076 -0.857 1.569 0.0000 0.0000 0.0000
- 1ACE O 6 -1.036 -0.960 1.517 0.0000 0.0000 0.0000
- 14NME N 127 -0.463 -1.194 1.540 0.0000 0.0000 0.0000
- 14NME H 128 -0.486 -1.291 1.526 0.0000 0.0000 0.0000
- 14NME CH3 129 -0.331 -1.137 1.531 0.0000 0.0000 0.0000
- 14NME HH31 130 -0.296 -1.121 1.429 0.0000 0.0000 0.0000
- 14NME HH32 131 -0.263 -1.215 1.564 0.0000 0.0000 0.0000
- 14NME HH33 132 -0.327 -1.051 1.598 0.0000 0.0000 0.0000
- 0 X 133 -0.768 -0.999 1.528 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -1.224 -0.701 1.570
+ 1ACE CH3 2 -1.211 -0.800 1.526
+ 1ACE HH32 3 -1.288 -0.872 1.553
+ 1ACE HH33 4 -1.210 -0.786 1.418
+ 1ACE C 5 -1.076 -0.857 1.569
+ 1ACE O 6 -1.036 -0.960 1.517
+ 14NME N 127 -0.463 -1.194 1.540
+ 14NME H 128 -0.486 -1.291 1.526
+ 14NME CH3 129 -0.331 -1.137 1.531
+ 14NME HH31 130 -0.296 -1.121 1.429
+ 14NME HH32 131 -0.263 -1.215 1.564
+ 14NME HH33 132 -0.327 -1.051 1.598
+ 0 X 133 -0.768 -0.999 1.528
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.350000
13
- 1ACE HH31 1 -0.326 -0.921 2.604 0.0000 0.0000 0.0000
- 1ACE CH3 2 -0.404 -0.848 2.581 0.0000 0.0000 0.0000
- 1ACE HH32 3 -0.482 -0.848 2.657 0.0000 0.0000 0.0000
- 1ACE HH33 4 -0.367 -0.745 2.579 0.0000 0.0000 0.0000
- 1ACE C 5 -0.470 -0.880 2.448 0.0000 0.0000 0.0000
- 1ACE O 6 -0.409 -0.934 2.357 0.0000 0.0000 0.0000
- 14NME N 127 -0.501 -1.107 1.889 0.0000 0.0000 0.0000
- 14NME H 128 -0.473 -1.155 1.805 0.0000 0.0000 0.0000
- 14NME CH3 129 -0.388 -1.051 1.961 0.0000 0.0000 0.0000
- 14NME HH31 130 -0.300 -1.105 1.927 0.0000 0.0000 0.0000
- 14NME HH32 131 -0.420 -1.061 2.064 0.0000 0.0000 0.0000
- 14NME HH33 132 -0.367 -0.946 1.937 0.0000 0.0000 0.0000
- 0 X 133 -0.409 -0.967 2.234 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -0.326 -0.921 2.604
+ 1ACE CH3 2 -0.404 -0.848 2.581
+ 1ACE HH32 3 -0.482 -0.848 2.657
+ 1ACE HH33 4 -0.367 -0.745 2.579
+ 1ACE C 5 -0.470 -0.880 2.448
+ 1ACE O 6 -0.409 -0.934 2.357
+ 14NME N 127 -0.501 -1.107 1.889
+ 14NME H 128 -0.473 -1.155 1.805
+ 14NME CH3 129 -0.388 -1.051 1.961
+ 14NME HH31 130 -0.300 -1.105 1.927
+ 14NME HH32 131 -0.420 -1.061 2.064
+ 14NME HH33 132 -0.367 -0.946 1.937
+ 0 X 133 -0.409 -0.967 2.234
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.400000
13
- 1ACE HH31 1 -0.264 -1.191 1.743 0.0000 0.0000 0.0000
- 1ACE CH3 2 -0.363 -1.148 1.752 0.0000 0.0000 0.0000
- 1ACE HH32 3 -0.355 -1.057 1.693 0.0000 0.0000 0.0000
- 1ACE HH33 4 -0.426 -1.225 1.706 0.0000 0.0000 0.0000
- 1ACE C 5 -0.420 -1.129 1.892 0.0000 0.0000 0.0000
- 1ACE O 6 -0.459 -1.224 1.960 0.0000 0.0000 0.0000
- 14NME N 127 -0.285 -0.688 1.519 0.0000 0.0000 0.0000
- 14NME H 128 -0.298 -0.673 1.420 0.0000 0.0000 0.0000
- 14NME CH3 129 -0.157 -0.652 1.575 0.0000 0.0000 0.0000
- 14NME HH31 130 -0.121 -0.717 1.655 0.0000 0.0000 0.0000
- 14NME HH32 131 -0.163 -0.554 1.623 0.0000 0.0000 0.0000
- 14NME HH33 132 -0.080 -0.648 1.497 0.0000 0.0000 0.0000
- 0 X 133 -0.283 -0.909 1.670 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -0.264 -1.191 1.743
+ 1ACE CH3 2 -0.363 -1.148 1.752
+ 1ACE HH32 3 -0.355 -1.057 1.693
+ 1ACE HH33 4 -0.426 -1.225 1.706
+ 1ACE C 5 -0.420 -1.129 1.892
+ 1ACE O 6 -0.459 -1.224 1.960
+ 14NME N 127 -0.285 -0.688 1.519
+ 14NME H 128 -0.298 -0.673 1.420
+ 14NME CH3 129 -0.157 -0.652 1.575
+ 14NME HH31 130 -0.121 -0.717 1.655
+ 14NME HH32 131 -0.163 -0.554 1.623
+ 14NME HH33 132 -0.080 -0.648 1.497
+ 0 X 133 -0.283 -0.909 1.670
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.450000
13
- 1ACE HH31 1 -0.627 -0.539 2.184 0.0000 0.0000 0.0000
- 1ACE CH3 2 -0.697 -0.622 2.183 0.0000 0.0000 0.0000
- 1ACE HH32 3 -0.703 -0.663 2.082 0.0000 0.0000 0.0000
- 1ACE HH33 4 -0.667 -0.704 2.248 0.0000 0.0000 0.0000
- 1ACE C 5 -0.839 -0.578 2.218 0.0000 0.0000 0.0000
- 1ACE O 6 -0.873 -0.463 2.192 0.0000 0.0000 0.0000
- 14NME N 127 -1.089 -1.616 1.313 0.0000 0.0000 0.0000
- 14NME H 128 -1.057 -1.534 1.363 0.0000 0.0000 0.0000
- 14NME CH3 129 -1.157 -1.721 1.385 0.0000 0.0000 0.0000
- 14NME HH31 130 -1.195 -1.794 1.313 0.0000 0.0000 0.0000
- 14NME HH32 131 -1.245 -1.672 1.427 0.0000 0.0000 0.0000
- 14NME HH33 132 -1.087 -1.766 1.455 0.0000 0.0000 0.0000
- 0 X 133 -0.936 -1.139 1.780 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -0.627 -0.539 2.184
+ 1ACE CH3 2 -0.697 -0.622 2.183
+ 1ACE HH32 3 -0.703 -0.663 2.082
+ 1ACE HH33 4 -0.667 -0.704 2.248
+ 1ACE C 5 -0.839 -0.578 2.218
+ 1ACE O 6 -0.873 -0.463 2.192
+ 14NME N 127 -1.089 -1.616 1.313
+ 14NME H 128 -1.057 -1.534 1.363
+ 14NME CH3 129 -1.157 -1.721 1.385
+ 14NME HH31 130 -1.195 -1.794 1.313
+ 14NME HH32 131 -1.245 -1.672 1.427
+ 14NME HH33 132 -1.087 -1.766 1.455
+ 0 X 133 -0.936 -1.139 1.780
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.500000
13
- 1ACE HH31 1 -0.290 -0.494 2.251 0.0000 0.0000 0.0000
- 1ACE CH3 2 -0.355 -0.422 2.301 0.0000 0.0000 0.0000
- 1ACE HH32 3 -0.313 -0.370 2.388 0.0000 0.0000 0.0000
- 1ACE HH33 4 -0.385 -0.347 2.228 0.0000 0.0000 0.0000
- 1ACE C 5 -0.469 -0.506 2.357 0.0000 0.0000 0.0000
- 1ACE O 6 -0.440 -0.613 2.410 0.0000 0.0000 0.0000
- 14NME N 127 -0.829 -1.400 1.408 0.0000 0.0000 0.0000
- 14NME H 128 -0.832 -1.305 1.443 0.0000 0.0000 0.0000
- 14NME CH3 129 -0.834 -1.514 1.497 0.0000 0.0000 0.0000
- 14NME HH31 130 -0.938 -1.534 1.525 0.0000 0.0000 0.0000
- 14NME HH32 131 -0.772 -1.496 1.584 0.0000 0.0000 0.0000
- 14NME HH33 132 -0.806 -1.608 1.448 0.0000 0.0000 0.0000
- 0 X 133 -0.605 -0.967 1.903 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -0.290 -0.494 2.251
+ 1ACE CH3 2 -0.355 -0.422 2.301
+ 1ACE HH32 3 -0.313 -0.370 2.388
+ 1ACE HH33 4 -0.385 -0.347 2.228
+ 1ACE C 5 -0.469 -0.506 2.357
+ 1ACE O 6 -0.440 -0.613 2.410
+ 14NME N 127 -0.829 -1.400 1.408
+ 14NME H 128 -0.832 -1.305 1.443
+ 14NME CH3 129 -0.834 -1.514 1.497
+ 14NME HH31 130 -0.938 -1.534 1.525
+ 14NME HH32 131 -0.772 -1.496 1.584
+ 14NME HH33 132 -0.806 -1.608 1.448
+ 0 X 133 -0.605 -0.967 1.903
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.550000
13
- 1ACE HH31 1 0.072 -1.016 1.887 0.0000 0.0000 0.0000
- 1ACE CH3 2 0.034 -0.916 1.912 0.0000 0.0000 0.0000
- 1ACE HH32 3 0.047 -0.887 2.016 0.0000 0.0000 0.0000
- 1ACE HH33 4 0.076 -0.831 1.859 0.0000 0.0000 0.0000
- 1ACE C 5 -0.114 -0.927 1.879 0.0000 0.0000 0.0000
- 1ACE O 6 -0.153 -0.971 1.772 0.0000 0.0000 0.0000
- 14NME N 127 -0.141 -0.764 1.514 0.0000 0.0000 0.0000
- 14NME H 128 -0.103 -0.828 1.583 0.0000 0.0000 0.0000
- 14NME CH3 129 -0.078 -0.635 1.493 0.0000 0.0000 0.0000
- 14NME HH31 130 0.019 -0.629 1.542 0.0000 0.0000 0.0000
- 14NME HH32 131 -0.149 -0.567 1.540 0.0000 0.0000 0.0000
- 14NME HH33 132 -0.074 -0.617 1.386 0.0000 0.0000 0.0000
- 0 X 133 -0.047 -0.799 1.699 0.0000 0.0000 0.0000
+ 1ACE HH31 1 0.072 -1.016 1.887
+ 1ACE CH3 2 0.034 -0.916 1.912
+ 1ACE HH32 3 0.047 -0.887 2.016
+ 1ACE HH33 4 0.076 -0.831 1.859
+ 1ACE C 5 -0.114 -0.927 1.879
+ 1ACE O 6 -0.153 -0.971 1.772
+ 14NME N 127 -0.141 -0.764 1.514
+ 14NME H 128 -0.103 -0.828 1.583
+ 14NME CH3 129 -0.078 -0.635 1.493
+ 14NME HH31 130 0.019 -0.629 1.542
+ 14NME HH32 131 -0.149 -0.567 1.540
+ 14NME HH33 132 -0.074 -0.617 1.386
+ 0 X 133 -0.047 -0.799 1.699
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
diff --git a/regtest/basic/rt54/helix.gro.reference b/regtest/basic/rt54/helix.gro.reference
index b08cf48e72c5773f8431b24dbcd3b8983e124263..6143d662aed3720d20513b4e60c45428d7ec0690 100644
--- a/regtest/basic/rt54/helix.gro.reference
+++ b/regtest/basic/rt54/helix.gro.reference
@@ -1,1620 +1,1620 @@
Made with PLUMED t=0.000000
132
- 1ACE HH31 1 -0.911 -0.240 2.180 0.0000 0.0000 0.0000
- 1ACE CH3 2 -0.893 -0.335 2.231 0.0000 0.0000 0.0000
- 1ACE HH32 3 -0.950 -0.350 2.322 0.0000 0.0000 0.0000
- 1ACE HH33 4 -0.907 -0.417 2.160 0.0000 0.0000 0.0000
- 1ACE C 5 -0.745 -0.330 2.266 0.0000 0.0000 0.0000
- 1ACE O 6 -0.691 -0.221 2.283 0.0000 0.0000 0.0000
- 2ALA N 7 -0.681 -0.448 2.268 0.0000 0.0000 0.0000
- 2ALA H 8 -0.732 -0.530 2.242 0.0000 0.0000 0.0000
- 2ALA CA 9 -0.540 -0.460 2.297 0.0000 0.0000 0.0000
- 2ALA HA 10 -0.488 -0.386 2.235 0.0000 0.0000 0.0000
- 2ALA CB 11 -0.507 -0.437 2.444 0.0000 0.0000 0.0000
- 2ALA HB1 12 -0.401 -0.435 2.467 0.0000 0.0000 0.0000
- 2ALA HB2 13 -0.544 -0.514 2.511 0.0000 0.0000 0.0000
- 2ALA HB3 14 -0.556 -0.343 2.470 0.0000 0.0000 0.0000
- 2ALA C 15 -0.491 -0.595 2.247 0.0000 0.0000 0.0000
- 2ALA O 16 -0.473 -0.613 2.126 0.0000 0.0000 0.0000
- 3ALA N 17 -0.485 -0.697 2.333 0.0000 0.0000 0.0000
- 3ALA H 18 -0.512 -0.679 2.429 0.0000 0.0000 0.0000
- 3ALA CA 19 -0.472 -0.840 2.316 0.0000 0.0000 0.0000
- 3ALA HA 20 -0.377 -0.852 2.264 0.0000 0.0000 0.0000
- 3ALA CB 21 -0.461 -0.909 2.451 0.0000 0.0000 0.0000
- 3ALA HB1 22 -0.376 -0.871 2.508 0.0000 0.0000 0.0000
- 3ALA HB2 23 -0.451 -1.014 2.425 0.0000 0.0000 0.0000
- 3ALA HB3 24 -0.549 -0.913 2.516 0.0000 0.0000 0.0000
- 3ALA C 25 -0.575 -0.906 2.226 0.0000 0.0000 0.0000
- 3ALA O 26 -0.536 -0.975 2.132 0.0000 0.0000 0.0000
- 4ALA N 27 -0.704 -0.887 2.257 0.0000 0.0000 0.0000
- 4ALA H 28 -0.704 -0.806 2.318 0.0000 0.0000 0.0000
- 4ALA CA 29 -0.820 -0.923 2.179 0.0000 0.0000 0.0000
- 4ALA HA 30 -0.787 -0.985 2.095 0.0000 0.0000 0.0000
- 4ALA CB 31 -0.916 -0.996 2.273 0.0000 0.0000 0.0000
- 4ALA HB1 32 -0.863 -1.079 2.319 0.0000 0.0000 0.0000
- 4ALA HB2 33 -1.010 -1.033 2.231 0.0000 0.0000 0.0000
- 4ALA HB3 34 -0.940 -0.926 2.353 0.0000 0.0000 0.0000
- 4ALA C 35 -0.872 -0.791 2.126 0.0000 0.0000 0.0000
- 4ALA O 36 -0.827 -0.685 2.168 0.0000 0.0000 0.0000
- 5ALA N 37 -0.957 -0.790 2.022 0.0000 0.0000 0.0000
- 5ALA H 38 -0.963 -0.882 1.981 0.0000 0.0000 0.0000
- 5ALA CA 39 -0.992 -0.679 1.936 0.0000 0.0000 0.0000
- 5ALA HA 40 -1.014 -0.595 2.001 0.0000 0.0000 0.0000
- 5ALA CB 41 -0.879 -0.640 1.841 0.0000 0.0000 0.0000
- 5ALA HB1 42 -0.853 -0.714 1.765 0.0000 0.0000 0.0000
- 5ALA HB2 43 -0.786 -0.629 1.896 0.0000 0.0000 0.0000
- 5ALA HB3 44 -0.898 -0.548 1.786 0.0000 0.0000 0.0000
- 5ALA C 45 -1.118 -0.705 1.853 0.0000 0.0000 0.0000
- 5ALA O 46 -1.152 -0.822 1.837 0.0000 0.0000 0.0000
- 6ALA N 47 -1.193 -0.605 1.805 0.0000 0.0000 0.0000
- 6ALA H 48 -1.160 -0.510 1.805 0.0000 0.0000 0.0000
- 6ALA CA 49 -1.324 -0.626 1.747 0.0000 0.0000 0.0000
- 6ALA HA 50 -1.312 -0.716 1.687 0.0000 0.0000 0.0000
- 6ALA CB 51 -1.437 -0.640 1.849 0.0000 0.0000 0.0000
- 6ALA HB1 52 -1.533 -0.650 1.799 0.0000 0.0000 0.0000
- 6ALA HB2 53 -1.436 -0.555 1.918 0.0000 0.0000 0.0000
- 6ALA HB3 54 -1.413 -0.723 1.916 0.0000 0.0000 0.0000
- 6ALA C 55 -1.363 -0.509 1.658 0.0000 0.0000 0.0000
- 6ALA O 56 -1.336 -0.394 1.692 0.0000 0.0000 0.0000
- 7ALA N 57 -1.421 -0.543 1.543 0.0000 0.0000 0.0000
- 7ALA H 58 -1.429 -0.644 1.540 0.0000 0.0000 0.0000
- 7ALA CA 59 -1.490 -0.458 1.448 0.0000 0.0000 0.0000
- 7ALA HA 60 -1.536 -0.379 1.507 0.0000 0.0000 0.0000
- 7ALA CB 61 -1.389 -0.380 1.364 0.0000 0.0000 0.0000
- 7ALA HB1 62 -1.448 -0.310 1.305 0.0000 0.0000 0.0000
- 7ALA HB2 63 -1.323 -0.443 1.305 0.0000 0.0000 0.0000
- 7ALA HB3 64 -1.329 -0.316 1.428 0.0000 0.0000 0.0000
- 7ALA C 65 -1.595 -0.517 1.355 0.0000 0.0000 0.0000
- 7ALA O 66 -1.715 -0.505 1.374 0.0000 0.0000 0.0000
- 8ALA N 67 -1.548 -0.602 1.264 0.0000 0.0000 0.0000
- 8ALA H 68 -1.447 -0.611 1.257 0.0000 0.0000 0.0000
- 8ALA CA 69 -1.614 -0.708 1.190 0.0000 0.0000 0.0000
- 8ALA HA 70 -1.721 -0.703 1.210 0.0000 0.0000 0.0000
- 8ALA CB 71 -1.591 -0.690 1.040 0.0000 0.0000 0.0000
- 8ALA HB1 72 -1.648 -0.607 0.998 0.0000 0.0000 0.0000
- 8ALA HB2 73 -1.611 -0.781 0.984 0.0000 0.0000 0.0000
- 8ALA HB3 74 -1.484 -0.673 1.042 0.0000 0.0000 0.0000
- 8ALA C 75 -1.555 -0.841 1.237 0.0000 0.0000 0.0000
- 8ALA O 76 -1.437 -0.871 1.223 0.0000 0.0000 0.0000
- 9ALA N 77 -1.646 -0.911 1.305 0.0000 0.0000 0.0000
- 9ALA H 78 -1.736 -0.867 1.314 0.0000 0.0000 0.0000
- 9ALA CA 79 -1.613 -1.016 1.400 0.0000 0.0000 0.0000
- 9ALA HA 80 -1.700 -1.054 1.454 0.0000 0.0000 0.0000
- 9ALA CB 81 -1.558 -1.131 1.316 0.0000 0.0000 0.0000
- 9ALA HB1 82 -1.457 -1.097 1.292 0.0000 0.0000 0.0000
- 9ALA HB2 83 -1.622 -1.150 1.229 0.0000 0.0000 0.0000
- 9ALA HB3 84 -1.560 -1.227 1.366 0.0000 0.0000 0.0000
- 9ALA C 85 -1.527 -0.959 1.512 0.0000 0.0000 0.0000
- 9ALA O 86 -1.521 -0.838 1.529 0.0000 0.0000 0.0000
- 10ALA N 87 -1.468 -1.048 1.592 0.0000 0.0000 0.0000
- 10ALA H 88 -1.491 -1.146 1.590 0.0000 0.0000 0.0000
- 10ALA CA 89 -1.367 -1.015 1.691 0.0000 0.0000 0.0000
- 10ALA HA 90 -1.329 -0.914 1.678 0.0000 0.0000 0.0000
- 10ALA CB 91 -1.435 -1.017 1.828 0.0000 0.0000 0.0000
- 10ALA HB1 92 -1.490 -0.923 1.834 0.0000 0.0000 0.0000
- 10ALA HB2 93 -1.358 -1.025 1.905 0.0000 0.0000 0.0000
- 10ALA HB3 94 -1.489 -1.109 1.848 0.0000 0.0000 0.0000
- 10ALA C 95 -1.251 -1.113 1.681 0.0000 0.0000 0.0000
- 10ALA O 96 -1.267 -1.221 1.625 0.0000 0.0000 0.0000
- 11ALA N 97 -1.130 -1.073 1.721 0.0000 0.0000 0.0000
- 11ALA H 98 -1.130 -0.977 1.752 0.0000 0.0000 0.0000
- 11ALA CA 99 -1.003 -1.138 1.699 0.0000 0.0000 0.0000
- 11ALA HA 100 -1.012 -1.247 1.693 0.0000 0.0000 0.0000
- 11ALA CB 101 -0.950 -1.103 1.560 0.0000 0.0000 0.0000
- 11ALA HB1 102 -0.858 -1.159 1.542 0.0000 0.0000 0.0000
- 11ALA HB2 103 -0.938 -0.994 1.557 0.0000 0.0000 0.0000
- 11ALA HB3 104 -1.013 -1.131 1.476 0.0000 0.0000 0.0000
- 11ALA C 105 -0.901 -1.112 1.809 0.0000 0.0000 0.0000
- 11ALA O 106 -0.930 -1.031 1.897 0.0000 0.0000 0.0000
- 12ALA N 107 -0.784 -1.175 1.802 0.0000 0.0000 0.0000
- 12ALA H 108 -0.768 -1.243 1.729 0.0000 0.0000 0.0000
- 12ALA CA 109 -0.663 -1.129 1.868 0.0000 0.0000 0.0000
- 12ALA HA 110 -0.695 -1.097 1.966 0.0000 0.0000 0.0000
- 12ALA CB 111 -0.568 -1.247 1.888 0.0000 0.0000 0.0000
- 12ALA HB1 112 -0.521 -1.271 1.792 0.0000 0.0000 0.0000
- 12ALA HB2 113 -0.628 -1.330 1.924 0.0000 0.0000 0.0000
- 12ALA HB3 114 -0.488 -1.217 1.955 0.0000 0.0000 0.0000
- 12ALA C 115 -0.601 -1.014 1.790 0.0000 0.0000 0.0000
- 12ALA O 116 -0.638 -0.989 1.675 0.0000 0.0000 0.0000
- 13ALA N 117 -0.509 -0.942 1.854 0.0000 0.0000 0.0000
- 13ALA H 118 -0.508 -0.964 1.953 0.0000 0.0000 0.0000
- 13ALA CA 119 -0.423 -0.841 1.796 0.0000 0.0000 0.0000
- 13ALA HA 120 -0.398 -0.873 1.695 0.0000 0.0000 0.0000
- 13ALA CB 121 -0.497 -0.707 1.786 0.0000 0.0000 0.0000
- 13ALA HB1 122 -0.429 -0.630 1.750 0.0000 0.0000 0.0000
- 13ALA HB2 123 -0.545 -0.676 1.878 0.0000 0.0000 0.0000
- 13ALA HB3 124 -0.578 -0.724 1.715 0.0000 0.0000 0.0000
- 13ALA C 125 -0.296 -0.825 1.877 0.0000 0.0000 0.0000
- 13ALA O 126 -0.198 -0.896 1.854 0.0000 0.0000 0.0000
- 14NME N 127 -0.292 -0.739 1.979 0.0000 0.0000 0.0000
- 14NME H 128 -0.373 -0.682 2.001 0.0000 0.0000 0.0000
- 14NME CH3 129 -0.169 -0.709 2.049 0.0000 0.0000 0.0000
- 14NME HH31 130 -0.187 -0.663 2.146 0.0000 0.0000 0.0000
- 14NME HH32 131 -0.115 -0.628 1.999 0.0000 0.0000 0.0000
- 14NME HH33 132 -0.114 -0.802 2.060 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -0.911 -0.240 2.180
+ 1ACE CH3 2 -0.893 -0.335 2.231
+ 1ACE HH32 3 -0.950 -0.350 2.322
+ 1ACE HH33 4 -0.907 -0.417 2.160
+ 1ACE C 5 -0.745 -0.330 2.266
+ 1ACE O 6 -0.691 -0.221 2.283
+ 2ALA N 7 -0.681 -0.448 2.268
+ 2ALA H 8 -0.732 -0.530 2.242
+ 2ALA CA 9 -0.540 -0.460 2.297
+ 2ALA HA 10 -0.488 -0.386 2.235
+ 2ALA CB 11 -0.507 -0.437 2.444
+ 2ALA HB1 12 -0.401 -0.435 2.467
+ 2ALA HB2 13 -0.544 -0.514 2.511
+ 2ALA HB3 14 -0.556 -0.343 2.470
+ 2ALA C 15 -0.491 -0.595 2.247
+ 2ALA O 16 -0.473 -0.613 2.126
+ 3ALA N 17 -0.485 -0.697 2.333
+ 3ALA H 18 -0.512 -0.679 2.429
+ 3ALA CA 19 -0.472 -0.840 2.316
+ 3ALA HA 20 -0.377 -0.852 2.264
+ 3ALA CB 21 -0.461 -0.909 2.451
+ 3ALA HB1 22 -0.376 -0.871 2.508
+ 3ALA HB2 23 -0.451 -1.014 2.425
+ 3ALA HB3 24 -0.549 -0.913 2.516
+ 3ALA C 25 -0.575 -0.906 2.226
+ 3ALA O 26 -0.536 -0.975 2.132
+ 4ALA N 27 -0.704 -0.887 2.257
+ 4ALA H 28 -0.704 -0.806 2.318
+ 4ALA CA 29 -0.820 -0.923 2.179
+ 4ALA HA 30 -0.787 -0.985 2.095
+ 4ALA CB 31 -0.916 -0.996 2.273
+ 4ALA HB1 32 -0.863 -1.079 2.319
+ 4ALA HB2 33 -1.010 -1.033 2.231
+ 4ALA HB3 34 -0.940 -0.926 2.353
+ 4ALA C 35 -0.872 -0.791 2.126
+ 4ALA O 36 -0.827 -0.685 2.168
+ 5ALA N 37 -0.957 -0.790 2.022
+ 5ALA H 38 -0.963 -0.882 1.981
+ 5ALA CA 39 -0.992 -0.679 1.936
+ 5ALA HA 40 -1.014 -0.595 2.001
+ 5ALA CB 41 -0.879 -0.640 1.841
+ 5ALA HB1 42 -0.853 -0.714 1.765
+ 5ALA HB2 43 -0.786 -0.629 1.896
+ 5ALA HB3 44 -0.898 -0.548 1.786
+ 5ALA C 45 -1.118 -0.705 1.853
+ 5ALA O 46 -1.152 -0.822 1.837
+ 6ALA N 47 -1.193 -0.605 1.805
+ 6ALA H 48 -1.160 -0.510 1.805
+ 6ALA CA 49 -1.324 -0.626 1.747
+ 6ALA HA 50 -1.312 -0.716 1.687
+ 6ALA CB 51 -1.437 -0.640 1.849
+ 6ALA HB1 52 -1.533 -0.650 1.799
+ 6ALA HB2 53 -1.436 -0.555 1.918
+ 6ALA HB3 54 -1.413 -0.723 1.916
+ 6ALA C 55 -1.363 -0.509 1.658
+ 6ALA O 56 -1.336 -0.394 1.692
+ 7ALA N 57 -1.421 -0.543 1.543
+ 7ALA H 58 -1.429 -0.644 1.540
+ 7ALA CA 59 -1.490 -0.458 1.448
+ 7ALA HA 60 -1.536 -0.379 1.507
+ 7ALA CB 61 -1.389 -0.380 1.364
+ 7ALA HB1 62 -1.448 -0.310 1.305
+ 7ALA HB2 63 -1.323 -0.443 1.305
+ 7ALA HB3 64 -1.329 -0.316 1.428
+ 7ALA C 65 -1.595 -0.517 1.355
+ 7ALA O 66 -1.715 -0.505 1.374
+ 8ALA N 67 -1.548 -0.602 1.264
+ 8ALA H 68 -1.447 -0.611 1.257
+ 8ALA CA 69 -1.614 -0.708 1.190
+ 8ALA HA 70 -1.721 -0.703 1.210
+ 8ALA CB 71 -1.591 -0.690 1.040
+ 8ALA HB1 72 -1.648 -0.607 0.998
+ 8ALA HB2 73 -1.611 -0.781 0.984
+ 8ALA HB3 74 -1.484 -0.673 1.042
+ 8ALA C 75 -1.555 -0.841 1.237
+ 8ALA O 76 -1.437 -0.871 1.223
+ 9ALA N 77 -1.646 -0.911 1.305
+ 9ALA H 78 -1.736 -0.867 1.314
+ 9ALA CA 79 -1.613 -1.016 1.400
+ 9ALA HA 80 -1.700 -1.054 1.454
+ 9ALA CB 81 -1.558 -1.131 1.316
+ 9ALA HB1 82 -1.457 -1.097 1.292
+ 9ALA HB2 83 -1.622 -1.150 1.229
+ 9ALA HB3 84 -1.560 -1.227 1.366
+ 9ALA C 85 -1.527 -0.959 1.512
+ 9ALA O 86 -1.521 -0.838 1.529
+ 10ALA N 87 -1.468 -1.048 1.592
+ 10ALA H 88 -1.491 -1.146 1.590
+ 10ALA CA 89 -1.367 -1.015 1.691
+ 10ALA HA 90 -1.329 -0.914 1.678
+ 10ALA CB 91 -1.435 -1.017 1.828
+ 10ALA HB1 92 -1.490 -0.923 1.834
+ 10ALA HB2 93 -1.358 -1.025 1.905
+ 10ALA HB3 94 -1.489 -1.109 1.848
+ 10ALA C 95 -1.251 -1.113 1.681
+ 10ALA O 96 -1.267 -1.221 1.625
+ 11ALA N 97 -1.130 -1.073 1.721
+ 11ALA H 98 -1.130 -0.977 1.752
+ 11ALA CA 99 -1.003 -1.138 1.699
+ 11ALA HA 100 -1.012 -1.247 1.693
+ 11ALA CB 101 -0.950 -1.103 1.560
+ 11ALA HB1 102 -0.858 -1.159 1.542
+ 11ALA HB2 103 -0.938 -0.994 1.557
+ 11ALA HB3 104 -1.013 -1.131 1.476
+ 11ALA C 105 -0.901 -1.112 1.809
+ 11ALA O 106 -0.930 -1.031 1.897
+ 12ALA N 107 -0.784 -1.175 1.802
+ 12ALA H 108 -0.768 -1.243 1.729
+ 12ALA CA 109 -0.663 -1.129 1.868
+ 12ALA HA 110 -0.695 -1.097 1.966
+ 12ALA CB 111 -0.568 -1.247 1.888
+ 12ALA HB1 112 -0.521 -1.271 1.792
+ 12ALA HB2 113 -0.628 -1.330 1.924
+ 12ALA HB3 114 -0.488 -1.217 1.955
+ 12ALA C 115 -0.601 -1.014 1.790
+ 12ALA O 116 -0.638 -0.989 1.675
+ 13ALA N 117 -0.509 -0.942 1.854
+ 13ALA H 118 -0.508 -0.964 1.953
+ 13ALA CA 119 -0.423 -0.841 1.796
+ 13ALA HA 120 -0.398 -0.873 1.695
+ 13ALA CB 121 -0.497 -0.707 1.786
+ 13ALA HB1 122 -0.429 -0.630 1.750
+ 13ALA HB2 123 -0.545 -0.676 1.878
+ 13ALA HB3 124 -0.578 -0.724 1.715
+ 13ALA C 125 -0.296 -0.825 1.877
+ 13ALA O 126 -0.198 -0.896 1.854
+ 14NME N 127 -0.292 -0.739 1.979
+ 14NME H 128 -0.373 -0.682 2.001
+ 14NME CH3 129 -0.169 -0.709 2.049
+ 14NME HH31 130 -0.187 -0.663 2.146
+ 14NME HH32 131 -0.115 -0.628 1.999
+ 14NME HH33 132 -0.114 -0.802 2.060
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.050000
132
- 1ACE HH31 1 -0.022 -1.191 1.511 0.0000 0.0000 0.0000
- 1ACE CH3 2 -0.086 -1.241 1.583 0.0000 0.0000 0.0000
- 1ACE HH32 3 -0.085 -1.347 1.559 0.0000 0.0000 0.0000
- 1ACE HH33 4 -0.041 -1.210 1.677 0.0000 0.0000 0.0000
- 1ACE C 5 -0.234 -1.207 1.574 0.0000 0.0000 0.0000
- 1ACE O 6 -0.296 -1.249 1.476 0.0000 0.0000 0.0000
- 2ALA N 7 -0.285 -1.128 1.669 0.0000 0.0000 0.0000
- 2ALA H 8 -0.219 -1.076 1.724 0.0000 0.0000 0.0000
- 2ALA CA 9 -0.423 -1.089 1.690 0.0000 0.0000 0.0000
- 2ALA HA 10 -0.467 -1.054 1.596 0.0000 0.0000 0.0000
- 2ALA CB 11 -0.508 -1.207 1.738 0.0000 0.0000 0.0000
- 2ALA HB1 12 -0.474 -1.239 1.837 0.0000 0.0000 0.0000
- 2ALA HB2 13 -0.488 -1.296 1.679 0.0000 0.0000 0.0000
- 2ALA HB3 14 -0.614 -1.180 1.738 0.0000 0.0000 0.0000
- 2ALA C 15 -0.433 -0.975 1.789 0.0000 0.0000 0.0000
- 2ALA O 16 -0.330 -0.930 1.841 0.0000 0.0000 0.0000
- 3ALA N 17 -0.553 -0.923 1.818 0.0000 0.0000 0.0000
- 3ALA H 18 -0.641 -0.957 1.782 0.0000 0.0000 0.0000
- 3ALA CA 19 -0.579 -0.816 1.911 0.0000 0.0000 0.0000
- 3ALA HA 20 -0.531 -0.825 2.008 0.0000 0.0000 0.0000
- 3ALA CB 21 -0.521 -0.692 1.844 0.0000 0.0000 0.0000
- 3ALA HB1 22 -0.553 -0.687 1.740 0.0000 0.0000 0.0000
- 3ALA HB2 23 -0.412 -0.690 1.848 0.0000 0.0000 0.0000
- 3ALA HB3 24 -0.548 -0.603 1.901 0.0000 0.0000 0.0000
- 3ALA C 25 -0.729 -0.807 1.939 0.0000 0.0000 0.0000
- 3ALA O 26 -0.790 -0.909 1.910 0.0000 0.0000 0.0000
- 4ALA N 27 -0.780 -0.703 2.006 0.0000 0.0000 0.0000
- 4ALA H 28 -0.724 -0.620 2.014 0.0000 0.0000 0.0000
- 4ALA CA 29 -0.923 -0.687 2.019 0.0000 0.0000 0.0000
- 4ALA HA 30 -0.969 -0.739 1.935 0.0000 0.0000 0.0000
- 4ALA CB 31 -0.985 -0.739 2.149 0.0000 0.0000 0.0000
- 4ALA HB1 32 -0.986 -0.847 2.159 0.0000 0.0000 0.0000
- 4ALA HB2 33 -1.089 -0.713 2.162 0.0000 0.0000 0.0000
- 4ALA HB3 34 -0.928 -0.699 2.234 0.0000 0.0000 0.0000
- 4ALA C 35 -0.960 -0.539 2.015 0.0000 0.0000 0.0000
- 4ALA O 36 -0.878 -0.450 2.032 0.0000 0.0000 0.0000
- 5ALA N 37 -1.083 -0.503 1.978 0.0000 0.0000 0.0000
- 5ALA H 38 -1.152 -0.577 1.966 0.0000 0.0000 0.0000
- 5ALA CA 39 -1.136 -0.368 1.973 0.0000 0.0000 0.0000
- 5ALA HA 40 -1.090 -0.303 2.047 0.0000 0.0000 0.0000
- 5ALA CB 41 -1.093 -0.311 1.838 0.0000 0.0000 0.0000
- 5ALA HB1 42 -0.985 -0.301 1.834 0.0000 0.0000 0.0000
- 5ALA HB2 43 -1.117 -0.206 1.827 0.0000 0.0000 0.0000
- 5ALA HB3 44 -1.131 -0.367 1.752 0.0000 0.0000 0.0000
- 5ALA C 45 -1.287 -0.355 1.992 0.0000 0.0000 0.0000
- 5ALA O 46 -1.363 -0.357 1.895 0.0000 0.0000 0.0000
- 6ALA N 47 -1.330 -0.348 2.118 0.0000 0.0000 0.0000
- 6ALA H 48 -1.255 -0.352 2.185 0.0000 0.0000 0.0000
- 6ALA CA 49 -1.466 -0.348 2.167 0.0000 0.0000 0.0000
- 6ALA HA 50 -1.466 -0.369 2.274 0.0000 0.0000 0.0000
- 6ALA CB 51 -1.528 -0.209 2.154 0.0000 0.0000 0.0000
- 6ALA HB1 52 -1.511 -0.171 2.054 0.0000 0.0000 0.0000
- 6ALA HB2 53 -1.487 -0.142 2.230 0.0000 0.0000 0.0000
- 6ALA HB3 54 -1.634 -0.212 2.183 0.0000 0.0000 0.0000
- 6ALA C 55 -1.536 -0.467 2.102 0.0000 0.0000 0.0000
- 6ALA O 56 -1.511 -0.585 2.124 0.0000 0.0000 0.0000
- 7ALA N 57 -1.628 -0.437 2.010 0.0000 0.0000 0.0000
- 7ALA H 58 -1.622 -0.343 1.973 0.0000 0.0000 0.0000
- 7ALA CA 59 -1.720 -0.525 1.940 0.0000 0.0000 0.0000
- 7ALA HA 60 -1.786 -0.574 2.010 0.0000 0.0000 0.0000
- 7ALA CB 61 -1.803 -0.437 1.847 0.0000 0.0000 0.0000
- 7ALA HB1 62 -1.738 -0.389 1.774 0.0000 0.0000 0.0000
- 7ALA HB2 63 -1.841 -0.359 1.914 0.0000 0.0000 0.0000
- 7ALA HB3 64 -1.871 -0.502 1.793 0.0000 0.0000 0.0000
- 7ALA C 65 -1.648 -0.622 1.848 0.0000 0.0000 0.0000
- 7ALA O 66 -1.697 -0.734 1.832 0.0000 0.0000 0.0000
- 8ALA N 67 -1.533 -0.582 1.793 0.0000 0.0000 0.0000
- 8ALA H 68 -1.501 -0.493 1.826 0.0000 0.0000 0.0000
- 8ALA CA 69 -1.430 -0.679 1.760 0.0000 0.0000 0.0000
- 8ALA HA 70 -1.471 -0.765 1.707 0.0000 0.0000 0.0000
- 8ALA CB 71 -1.332 -0.608 1.667 0.0000 0.0000 0.0000
- 8ALA HB1 72 -1.287 -0.682 1.602 0.0000 0.0000 0.0000
- 8ALA HB2 73 -1.257 -0.548 1.719 0.0000 0.0000 0.0000
- 8ALA HB3 74 -1.390 -0.536 1.609 0.0000 0.0000 0.0000
- 8ALA C 75 -1.378 -0.744 1.888 0.0000 0.0000 0.0000
- 8ALA O 76 -1.275 -0.704 1.942 0.0000 0.0000 0.0000
- 9ALA N 77 -1.452 -0.839 1.946 0.0000 0.0000 0.0000
- 9ALA H 78 -1.538 -0.859 1.897 0.0000 0.0000 0.0000
- 9ALA CA 79 -1.419 -0.903 2.072 0.0000 0.0000 0.0000
- 9ALA HA 80 -1.420 -0.833 2.156 0.0000 0.0000 0.0000
- 9ALA CB 81 -1.531 -0.994 2.122 0.0000 0.0000 0.0000
- 9ALA HB1 82 -1.511 -1.010 2.228 0.0000 0.0000 0.0000
- 9ALA HB2 83 -1.531 -1.091 2.073 0.0000 0.0000 0.0000
- 9ALA HB3 84 -1.630 -0.955 2.097 0.0000 0.0000 0.0000
- 9ALA C 85 -1.283 -0.970 2.072 0.0000 0.0000 0.0000
- 9ALA O 86 -1.228 -0.985 2.181 0.0000 0.0000 0.0000
- 10ALA N 87 -1.243 -1.021 1.955 0.0000 0.0000 0.0000
- 10ALA H 88 -1.303 -1.005 1.876 0.0000 0.0000 0.0000
- 10ALA CA 89 -1.115 -1.079 1.918 0.0000 0.0000 0.0000
- 10ALA HA 90 -1.031 -1.040 1.975 0.0000 0.0000 0.0000
- 10ALA CB 91 -1.127 -1.229 1.941 0.0000 0.0000 0.0000
- 10ALA HB1 92 -1.210 -1.273 1.887 0.0000 0.0000 0.0000
- 10ALA HB2 93 -1.126 -1.256 2.047 0.0000 0.0000 0.0000
- 10ALA HB3 94 -1.043 -1.286 1.901 0.0000 0.0000 0.0000
- 10ALA C 95 -1.100 -1.066 1.767 0.0000 0.0000 0.0000
- 10ALA O 96 -1.203 -1.084 1.703 0.0000 0.0000 0.0000
- 11ALA N 97 -0.980 -1.044 1.712 0.0000 0.0000 0.0000
- 11ALA H 98 -0.897 -1.014 1.760 0.0000 0.0000 0.0000
- 11ALA CA 99 -0.959 -1.027 1.570 0.0000 0.0000 0.0000
- 11ALA HA 100 -1.029 -1.091 1.518 0.0000 0.0000 0.0000
- 11ALA CB 101 -0.985 -0.884 1.522 0.0000 0.0000 0.0000
- 11ALA HB1 102 -0.933 -0.812 1.585 0.0000 0.0000 0.0000
- 11ALA HB2 103 -1.088 -0.847 1.527 0.0000 0.0000 0.0000
- 11ALA HB3 104 -0.955 -0.878 1.418 0.0000 0.0000 0.0000
- 11ALA C 105 -0.818 -1.079 1.542 0.0000 0.0000 0.0000
- 11ALA O 106 -0.720 -1.010 1.567 0.0000 0.0000 0.0000
- 12ALA N 107 -0.810 -1.192 1.471 0.0000 0.0000 0.0000
- 12ALA H 108 -0.899 -1.232 1.447 0.0000 0.0000 0.0000
- 12ALA CA 109 -0.694 -1.250 1.405 0.0000 0.0000 0.0000
- 12ALA HA 110 -0.616 -1.248 1.481 0.0000 0.0000 0.0000
- 12ALA CB 111 -0.729 -1.394 1.371 0.0000 0.0000 0.0000
- 12ALA HB1 112 -0.756 -1.445 1.464 0.0000 0.0000 0.0000
- 12ALA HB2 113 -0.635 -1.447 1.353 0.0000 0.0000 0.0000
- 12ALA HB3 114 -0.810 -1.405 1.299 0.0000 0.0000 0.0000
- 12ALA C 115 -0.643 -1.158 1.295 0.0000 0.0000 0.0000
- 12ALA O 116 -0.717 -1.094 1.220 0.0000 0.0000 0.0000
- 13ALA N 117 -0.510 -1.144 1.290 0.0000 0.0000 0.0000
- 13ALA H 118 -0.454 -1.190 1.361 0.0000 0.0000 0.0000
- 13ALA CA 119 -0.445 -1.053 1.199 0.0000 0.0000 0.0000
- 13ALA HA 120 -0.510 -1.024 1.117 0.0000 0.0000 0.0000
- 13ALA CB 121 -0.388 -0.929 1.268 0.0000 0.0000 0.0000
- 13ALA HB1 122 -0.291 -0.949 1.314 0.0000 0.0000 0.0000
- 13ALA HB2 123 -0.462 -0.882 1.333 0.0000 0.0000 0.0000
- 13ALA HB3 124 -0.372 -0.861 1.185 0.0000 0.0000 0.0000
- 13ALA C 125 -0.332 -1.121 1.123 0.0000 0.0000 0.0000
- 13ALA O 126 -0.322 -1.111 1.001 0.0000 0.0000 0.0000
- 14NME N 127 -0.249 -1.196 1.196 0.0000 0.0000 0.0000
- 14NME H 128 -0.277 -1.213 1.292 0.0000 0.0000 0.0000
- 14NME CH3 129 -0.133 -1.261 1.139 0.0000 0.0000 0.0000
- 14NME HH31 130 -0.121 -1.218 1.040 0.0000 0.0000 0.0000
- 14NME HH32 131 -0.148 -1.369 1.146 0.0000 0.0000 0.0000
- 14NME HH33 132 -0.043 -1.233 1.193 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -0.022 -1.191 1.511
+ 1ACE CH3 2 -0.086 -1.241 1.583
+ 1ACE HH32 3 -0.085 -1.347 1.559
+ 1ACE HH33 4 -0.041 -1.210 1.677
+ 1ACE C 5 -0.234 -1.207 1.574
+ 1ACE O 6 -0.296 -1.249 1.476
+ 2ALA N 7 -0.285 -1.128 1.669
+ 2ALA H 8 -0.219 -1.076 1.724
+ 2ALA CA 9 -0.423 -1.089 1.690
+ 2ALA HA 10 -0.467 -1.054 1.596
+ 2ALA CB 11 -0.508 -1.207 1.738
+ 2ALA HB1 12 -0.474 -1.239 1.837
+ 2ALA HB2 13 -0.488 -1.296 1.679
+ 2ALA HB3 14 -0.614 -1.180 1.738
+ 2ALA C 15 -0.433 -0.975 1.789
+ 2ALA O 16 -0.330 -0.930 1.841
+ 3ALA N 17 -0.553 -0.923 1.818
+ 3ALA H 18 -0.641 -0.957 1.782
+ 3ALA CA 19 -0.579 -0.816 1.911
+ 3ALA HA 20 -0.531 -0.825 2.008
+ 3ALA CB 21 -0.521 -0.692 1.844
+ 3ALA HB1 22 -0.553 -0.687 1.740
+ 3ALA HB2 23 -0.412 -0.690 1.848
+ 3ALA HB3 24 -0.548 -0.603 1.901
+ 3ALA C 25 -0.729 -0.807 1.939
+ 3ALA O 26 -0.790 -0.909 1.910
+ 4ALA N 27 -0.780 -0.703 2.006
+ 4ALA H 28 -0.724 -0.620 2.014
+ 4ALA CA 29 -0.923 -0.687 2.019
+ 4ALA HA 30 -0.969 -0.739 1.935
+ 4ALA CB 31 -0.985 -0.739 2.149
+ 4ALA HB1 32 -0.986 -0.847 2.159
+ 4ALA HB2 33 -1.089 -0.713 2.162
+ 4ALA HB3 34 -0.928 -0.699 2.234
+ 4ALA C 35 -0.960 -0.539 2.015
+ 4ALA O 36 -0.878 -0.450 2.032
+ 5ALA N 37 -1.083 -0.503 1.978
+ 5ALA H 38 -1.152 -0.577 1.966
+ 5ALA CA 39 -1.136 -0.368 1.973
+ 5ALA HA 40 -1.090 -0.303 2.047
+ 5ALA CB 41 -1.093 -0.311 1.838
+ 5ALA HB1 42 -0.985 -0.301 1.834
+ 5ALA HB2 43 -1.117 -0.206 1.827
+ 5ALA HB3 44 -1.131 -0.367 1.752
+ 5ALA C 45 -1.287 -0.355 1.992
+ 5ALA O 46 -1.363 -0.357 1.895
+ 6ALA N 47 -1.330 -0.348 2.118
+ 6ALA H 48 -1.255 -0.352 2.185
+ 6ALA CA 49 -1.466 -0.348 2.167
+ 6ALA HA 50 -1.466 -0.369 2.274
+ 6ALA CB 51 -1.528 -0.209 2.154
+ 6ALA HB1 52 -1.511 -0.171 2.054
+ 6ALA HB2 53 -1.487 -0.142 2.230
+ 6ALA HB3 54 -1.634 -0.212 2.183
+ 6ALA C 55 -1.536 -0.467 2.102
+ 6ALA O 56 -1.511 -0.585 2.124
+ 7ALA N 57 -1.628 -0.437 2.010
+ 7ALA H 58 -1.622 -0.343 1.973
+ 7ALA CA 59 -1.720 -0.525 1.940
+ 7ALA HA 60 -1.786 -0.574 2.010
+ 7ALA CB 61 -1.803 -0.437 1.847
+ 7ALA HB1 62 -1.738 -0.389 1.774
+ 7ALA HB2 63 -1.841 -0.359 1.914
+ 7ALA HB3 64 -1.871 -0.502 1.793
+ 7ALA C 65 -1.648 -0.622 1.848
+ 7ALA O 66 -1.697 -0.734 1.832
+ 8ALA N 67 -1.533 -0.582 1.793
+ 8ALA H 68 -1.501 -0.493 1.826
+ 8ALA CA 69 -1.430 -0.679 1.760
+ 8ALA HA 70 -1.471 -0.765 1.707
+ 8ALA CB 71 -1.332 -0.608 1.667
+ 8ALA HB1 72 -1.287 -0.682 1.602
+ 8ALA HB2 73 -1.257 -0.548 1.719
+ 8ALA HB3 74 -1.390 -0.536 1.609
+ 8ALA C 75 -1.378 -0.744 1.888
+ 8ALA O 76 -1.275 -0.704 1.942
+ 9ALA N 77 -1.452 -0.839 1.946
+ 9ALA H 78 -1.538 -0.859 1.897
+ 9ALA CA 79 -1.419 -0.903 2.072
+ 9ALA HA 80 -1.420 -0.833 2.156
+ 9ALA CB 81 -1.531 -0.994 2.122
+ 9ALA HB1 82 -1.511 -1.010 2.228
+ 9ALA HB2 83 -1.531 -1.091 2.073
+ 9ALA HB3 84 -1.630 -0.955 2.097
+ 9ALA C 85 -1.283 -0.970 2.072
+ 9ALA O 86 -1.228 -0.985 2.181
+ 10ALA N 87 -1.243 -1.021 1.955
+ 10ALA H 88 -1.303 -1.005 1.876
+ 10ALA CA 89 -1.115 -1.079 1.918
+ 10ALA HA 90 -1.031 -1.040 1.975
+ 10ALA CB 91 -1.127 -1.229 1.941
+ 10ALA HB1 92 -1.210 -1.273 1.887
+ 10ALA HB2 93 -1.126 -1.256 2.047
+ 10ALA HB3 94 -1.043 -1.286 1.901
+ 10ALA C 95 -1.100 -1.066 1.767
+ 10ALA O 96 -1.203 -1.084 1.703
+ 11ALA N 97 -0.980 -1.044 1.712
+ 11ALA H 98 -0.897 -1.014 1.760
+ 11ALA CA 99 -0.959 -1.027 1.570
+ 11ALA HA 100 -1.029 -1.091 1.518
+ 11ALA CB 101 -0.985 -0.884 1.522
+ 11ALA HB1 102 -0.933 -0.812 1.585
+ 11ALA HB2 103 -1.088 -0.847 1.527
+ 11ALA HB3 104 -0.955 -0.878 1.418
+ 11ALA C 105 -0.818 -1.079 1.542
+ 11ALA O 106 -0.720 -1.010 1.567
+ 12ALA N 107 -0.810 -1.192 1.471
+ 12ALA H 108 -0.899 -1.232 1.447
+ 12ALA CA 109 -0.694 -1.250 1.405
+ 12ALA HA 110 -0.616 -1.248 1.481
+ 12ALA CB 111 -0.729 -1.394 1.371
+ 12ALA HB1 112 -0.756 -1.445 1.464
+ 12ALA HB2 113 -0.635 -1.447 1.353
+ 12ALA HB3 114 -0.810 -1.405 1.299
+ 12ALA C 115 -0.643 -1.158 1.295
+ 12ALA O 116 -0.717 -1.094 1.220
+ 13ALA N 117 -0.510 -1.144 1.290
+ 13ALA H 118 -0.454 -1.190 1.361
+ 13ALA CA 119 -0.445 -1.053 1.199
+ 13ALA HA 120 -0.510 -1.024 1.117
+ 13ALA CB 121 -0.388 -0.929 1.268
+ 13ALA HB1 122 -0.291 -0.949 1.314
+ 13ALA HB2 123 -0.462 -0.882 1.333
+ 13ALA HB3 124 -0.372 -0.861 1.185
+ 13ALA C 125 -0.332 -1.121 1.123
+ 13ALA O 126 -0.322 -1.111 1.001
+ 14NME N 127 -0.249 -1.196 1.196
+ 14NME H 128 -0.277 -1.213 1.292
+ 14NME CH3 129 -0.133 -1.261 1.139
+ 14NME HH31 130 -0.121 -1.218 1.040
+ 14NME HH32 131 -0.148 -1.369 1.146
+ 14NME HH33 132 -0.043 -1.233 1.193
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.100000
132
- 1ACE HH31 1 -1.697 -0.728 1.714 0.0000 0.0000 0.0000
- 1ACE CH3 2 -1.714 -0.818 1.773 0.0000 0.0000 0.0000
- 1ACE HH32 3 -1.805 -0.789 1.825 0.0000 0.0000 0.0000
- 1ACE HH33 4 -1.737 -0.908 1.716 0.0000 0.0000 0.0000
- 1ACE C 5 -1.589 -0.834 1.859 0.0000 0.0000 0.0000
- 1ACE O 6 -1.546 -0.746 1.933 0.0000 0.0000 0.0000
- 2ALA N 7 -1.531 -0.952 1.836 0.0000 0.0000 0.0000
- 2ALA H 8 -1.561 -1.001 1.753 0.0000 0.0000 0.0000
- 2ALA CA 9 -1.432 -1.004 1.929 0.0000 0.0000 0.0000
- 2ALA HA 10 -1.452 -0.954 2.023 0.0000 0.0000 0.0000
- 2ALA CB 11 -1.453 -1.154 1.948 0.0000 0.0000 0.0000
- 2ALA HB1 12 -1.407 -1.191 2.039 0.0000 0.0000 0.0000
- 2ALA HB2 13 -1.410 -1.201 1.859 0.0000 0.0000 0.0000
- 2ALA HB3 14 -1.555 -1.188 1.965 0.0000 0.0000 0.0000
- 2ALA C 15 -1.294 -0.951 1.891 0.0000 0.0000 0.0000
- 2ALA O 16 -1.280 -0.855 1.817 0.0000 0.0000 0.0000
- 3ALA N 17 -1.192 -1.021 1.941 0.0000 0.0000 0.0000
- 3ALA H 18 -1.201 -1.119 1.963 0.0000 0.0000 0.0000
- 3ALA CA 19 -1.057 -0.971 1.960 0.0000 0.0000 0.0000
- 3ALA HA 20 -1.053 -0.890 2.033 0.0000 0.0000 0.0000
- 3ALA CB 21 -0.982 -1.088 2.022 0.0000 0.0000 0.0000
- 3ALA HB1 22 -0.974 -1.181 1.966 0.0000 0.0000 0.0000
- 3ALA HB2 23 -1.031 -1.118 2.115 0.0000 0.0000 0.0000
- 3ALA HB3 24 -0.879 -1.056 2.038 0.0000 0.0000 0.0000
- 3ALA C 25 -0.995 -0.918 1.831 0.0000 0.0000 0.0000
- 3ALA O 26 -0.983 -0.990 1.732 0.0000 0.0000 0.0000
- 4ALA N 27 -0.950 -0.793 1.847 0.0000 0.0000 0.0000
- 4ALA H 28 -0.967 -0.746 1.935 0.0000 0.0000 0.0000
- 4ALA CA 29 -0.886 -0.719 1.741 0.0000 0.0000 0.0000
- 4ALA HA 30 -0.852 -0.785 1.661 0.0000 0.0000 0.0000
- 4ALA CB 31 -0.994 -0.632 1.677 0.0000 0.0000 0.0000
- 4ALA HB1 32 -1.011 -0.544 1.738 0.0000 0.0000 0.0000
- 4ALA HB2 33 -1.079 -0.697 1.653 0.0000 0.0000 0.0000
- 4ALA HB3 34 -0.963 -0.587 1.582 0.0000 0.0000 0.0000
- 4ALA C 35 -0.759 -0.647 1.785 0.0000 0.0000 0.0000
- 4ALA O 36 -0.766 -0.543 1.851 0.0000 0.0000 0.0000
- 5ALA N 37 -0.645 -0.711 1.760 0.0000 0.0000 0.0000
- 5ALA H 38 -0.665 -0.794 1.706 0.0000 0.0000 0.0000
- 5ALA CA 39 -0.512 -0.693 1.813 0.0000 0.0000 0.0000
- 5ALA HA 40 -0.467 -0.792 1.804 0.0000 0.0000 0.0000
- 5ALA CB 41 -0.436 -0.588 1.732 0.0000 0.0000 0.0000
- 5ALA HB1 42 -0.469 -0.484 1.743 0.0000 0.0000 0.0000
- 5ALA HB2 43 -0.436 -0.623 1.629 0.0000 0.0000 0.0000
- 5ALA HB3 44 -0.332 -0.579 1.764 0.0000 0.0000 0.0000
- 5ALA C 45 -0.503 -0.659 1.961 0.0000 0.0000 0.0000
- 5ALA O 46 -0.453 -0.741 2.038 0.0000 0.0000 0.0000
- 6ALA N 47 -0.545 -0.540 2.003 0.0000 0.0000 0.0000
- 6ALA H 48 -0.586 -0.482 1.931 0.0000 0.0000 0.0000
- 6ALA CA 49 -0.528 -0.485 2.137 0.0000 0.0000 0.0000
- 6ALA HA 50 -0.511 -0.569 2.205 0.0000 0.0000 0.0000
- 6ALA CB 51 -0.416 -0.382 2.142 0.0000 0.0000 0.0000
- 6ALA HB1 52 -0.328 -0.424 2.094 0.0000 0.0000 0.0000
- 6ALA HB2 53 -0.404 -0.342 2.242 0.0000 0.0000 0.0000
- 6ALA HB3 54 -0.448 -0.297 2.081 0.0000 0.0000 0.0000
- 6ALA C 55 -0.661 -0.426 2.182 0.0000 0.0000 0.0000
- 6ALA O 56 -0.671 -0.377 2.294 0.0000 0.0000 0.0000
- 7ALA N 57 -0.768 -0.431 2.103 0.0000 0.0000 0.0000
- 7ALA H 58 -0.754 -0.484 2.018 0.0000 0.0000 0.0000
- 7ALA CA 59 -0.905 -0.403 2.144 0.0000 0.0000 0.0000
- 7ALA HA 60 -0.904 -0.404 2.253 0.0000 0.0000 0.0000
- 7ALA CB 61 -0.944 -0.264 2.094 0.0000 0.0000 0.0000
- 7ALA HB1 62 -0.870 -0.189 2.124 0.0000 0.0000 0.0000
- 7ALA HB2 63 -1.039 -0.247 2.145 0.0000 0.0000 0.0000
- 7ALA HB3 64 -0.944 -0.267 1.985 0.0000 0.0000 0.0000
- 7ALA C 65 -0.996 -0.513 2.092 0.0000 0.0000 0.0000
- 7ALA O 66 -0.951 -0.625 2.069 0.0000 0.0000 0.0000
- 8ALA N 67 -1.125 -0.490 2.067 0.0000 0.0000 0.0000
- 8ALA H 68 -1.166 -0.398 2.071 0.0000 0.0000 0.0000
- 8ALA CA 69 -1.224 -0.586 2.022 0.0000 0.0000 0.0000
- 8ALA HA 70 -1.162 -0.666 1.980 0.0000 0.0000 0.0000
- 8ALA CB 71 -1.293 -0.643 2.146 0.0000 0.0000 0.0000
- 8ALA HB1 72 -1.365 -0.719 2.115 0.0000 0.0000 0.0000
- 8ALA HB2 73 -1.349 -0.572 2.206 0.0000 0.0000 0.0000
- 8ALA HB3 74 -1.212 -0.688 2.204 0.0000 0.0000 0.0000
- 8ALA C 75 -1.306 -0.520 1.913 0.0000 0.0000 0.0000
- 8ALA O 76 -1.346 -0.405 1.929 0.0000 0.0000 0.0000
- 9ALA N 77 -1.310 -0.579 1.793 0.0000 0.0000 0.0000
- 9ALA H 78 -1.301 -0.679 1.803 0.0000 0.0000 0.0000
- 9ALA CA 79 -1.367 -0.524 1.671 0.0000 0.0000 0.0000
- 9ALA HA 80 -1.448 -0.458 1.703 0.0000 0.0000 0.0000
- 9ALA CB 81 -1.268 -0.430 1.604 0.0000 0.0000 0.0000
- 9ALA HB1 82 -1.303 -0.369 1.520 0.0000 0.0000 0.0000
- 9ALA HB2 83 -1.186 -0.494 1.569 0.0000 0.0000 0.0000
- 9ALA HB3 84 -1.228 -0.359 1.676 0.0000 0.0000 0.0000
- 9ALA C 85 -1.431 -0.623 1.575 0.0000 0.0000 0.0000
- 9ALA O 86 -1.532 -0.590 1.514 0.0000 0.0000 0.0000
- 10ALA N 87 -1.381 -0.746 1.565 0.0000 0.0000 0.0000
- 10ALA H 88 -1.308 -0.771 1.630 0.0000 0.0000 0.0000
- 10ALA CA 89 -1.417 -0.849 1.469 0.0000 0.0000 0.0000
- 10ALA HA 90 -1.517 -0.824 1.436 0.0000 0.0000 0.0000
- 10ALA CB 91 -1.312 -0.840 1.358 0.0000 0.0000 0.0000
- 10ALA HB1 92 -1.210 -0.831 1.396 0.0000 0.0000 0.0000
- 10ALA HB2 93 -1.328 -0.745 1.307 0.0000 0.0000 0.0000
- 10ALA HB3 94 -1.312 -0.928 1.294 0.0000 0.0000 0.0000
- 10ALA C 95 -1.425 -0.986 1.536 0.0000 0.0000 0.0000
- 10ALA O 96 -1.535 -1.029 1.569 0.0000 0.0000 0.0000
- 11ALA N 97 -1.317 -1.064 1.536 0.0000 0.0000 0.0000
- 11ALA H 98 -1.232 -1.016 1.508 0.0000 0.0000 0.0000
- 11ALA CA 99 -1.321 -1.203 1.577 0.0000 0.0000 0.0000
- 11ALA HA 100 -1.398 -1.217 1.653 0.0000 0.0000 0.0000
- 11ALA CB 101 -1.344 -1.289 1.453 0.0000 0.0000 0.0000
- 11ALA HB1 102 -1.261 -1.275 1.384 0.0000 0.0000 0.0000
- 11ALA HB2 103 -1.440 -1.269 1.404 0.0000 0.0000 0.0000
- 11ALA HB3 104 -1.343 -1.396 1.470 0.0000 0.0000 0.0000
- 11ALA C 105 -1.188 -1.238 1.643 0.0000 0.0000 0.0000
- 11ALA O 106 -1.182 -1.247 1.765 0.0000 0.0000 0.0000
- 12ALA N 107 -1.085 -1.285 1.572 0.0000 0.0000 0.0000
- 12ALA H 108 -1.102 -1.284 1.473 0.0000 0.0000 0.0000
- 12ALA CA 109 -0.963 -1.350 1.614 0.0000 0.0000 0.0000
- 12ALA HA 110 -0.942 -1.307 1.712 0.0000 0.0000 0.0000
- 12ALA CB 111 -0.979 -1.500 1.633 0.0000 0.0000 0.0000
- 12ALA HB1 112 -1.079 -1.506 1.676 0.0000 0.0000 0.0000
- 12ALA HB2 113 -0.904 -1.532 1.705 0.0000 0.0000 0.0000
- 12ALA HB3 114 -0.969 -1.553 1.538 0.0000 0.0000 0.0000
- 12ALA C 115 -0.841 -1.312 1.530 0.0000 0.0000 0.0000
- 12ALA O 116 -0.781 -1.391 1.458 0.0000 0.0000 0.0000
- 13ALA N 117 -0.811 -1.183 1.538 0.0000 0.0000 0.0000
- 13ALA H 118 -0.861 -1.116 1.595 0.0000 0.0000 0.0000
- 13ALA CA 119 -0.689 -1.136 1.476 0.0000 0.0000 0.0000
- 13ALA HA 120 -0.633 -1.218 1.429 0.0000 0.0000 0.0000
- 13ALA CB 121 -0.704 -1.034 1.364 0.0000 0.0000 0.0000
- 13ALA HB1 122 -0.611 -1.006 1.316 0.0000 0.0000 0.0000
- 13ALA HB2 123 -0.757 -0.947 1.402 0.0000 0.0000 0.0000
- 13ALA HB3 124 -0.759 -1.090 1.288 0.0000 0.0000 0.0000
- 13ALA C 125 -0.608 -1.070 1.586 0.0000 0.0000 0.0000
- 13ALA O 126 -0.634 -0.959 1.630 0.0000 0.0000 0.0000
- 14NME N 127 -0.501 -1.137 1.632 0.0000 0.0000 0.0000
- 14NME H 128 -0.480 -1.229 1.596 0.0000 0.0000 0.0000
- 14NME CH3 129 -0.405 -1.081 1.724 0.0000 0.0000 0.0000
- 14NME HH31 130 -0.330 -1.159 1.742 0.0000 0.0000 0.0000
- 14NME HH32 131 -0.445 -1.056 1.822 0.0000 0.0000 0.0000
- 14NME HH33 132 -0.351 -0.995 1.683 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -1.697 -0.728 1.714
+ 1ACE CH3 2 -1.714 -0.818 1.773
+ 1ACE HH32 3 -1.805 -0.789 1.825
+ 1ACE HH33 4 -1.737 -0.908 1.716
+ 1ACE C 5 -1.589 -0.834 1.859
+ 1ACE O 6 -1.546 -0.746 1.933
+ 2ALA N 7 -1.531 -0.952 1.836
+ 2ALA H 8 -1.561 -1.001 1.753
+ 2ALA CA 9 -1.432 -1.004 1.929
+ 2ALA HA 10 -1.452 -0.954 2.023
+ 2ALA CB 11 -1.453 -1.154 1.948
+ 2ALA HB1 12 -1.407 -1.191 2.039
+ 2ALA HB2 13 -1.410 -1.201 1.859
+ 2ALA HB3 14 -1.555 -1.188 1.965
+ 2ALA C 15 -1.294 -0.951 1.891
+ 2ALA O 16 -1.280 -0.855 1.817
+ 3ALA N 17 -1.192 -1.021 1.941
+ 3ALA H 18 -1.201 -1.119 1.963
+ 3ALA CA 19 -1.057 -0.971 1.960
+ 3ALA HA 20 -1.053 -0.890 2.033
+ 3ALA CB 21 -0.982 -1.088 2.022
+ 3ALA HB1 22 -0.974 -1.181 1.966
+ 3ALA HB2 23 -1.031 -1.118 2.115
+ 3ALA HB3 24 -0.879 -1.056 2.038
+ 3ALA C 25 -0.995 -0.918 1.831
+ 3ALA O 26 -0.983 -0.990 1.732
+ 4ALA N 27 -0.950 -0.793 1.847
+ 4ALA H 28 -0.967 -0.746 1.935
+ 4ALA CA 29 -0.886 -0.719 1.741
+ 4ALA HA 30 -0.852 -0.785 1.661
+ 4ALA CB 31 -0.994 -0.632 1.677
+ 4ALA HB1 32 -1.011 -0.544 1.738
+ 4ALA HB2 33 -1.079 -0.697 1.653
+ 4ALA HB3 34 -0.963 -0.587 1.582
+ 4ALA C 35 -0.759 -0.647 1.785
+ 4ALA O 36 -0.766 -0.543 1.851
+ 5ALA N 37 -0.645 -0.711 1.760
+ 5ALA H 38 -0.665 -0.794 1.706
+ 5ALA CA 39 -0.512 -0.693 1.813
+ 5ALA HA 40 -0.467 -0.792 1.804
+ 5ALA CB 41 -0.436 -0.588 1.732
+ 5ALA HB1 42 -0.469 -0.484 1.743
+ 5ALA HB2 43 -0.436 -0.623 1.629
+ 5ALA HB3 44 -0.332 -0.579 1.764
+ 5ALA C 45 -0.503 -0.659 1.961
+ 5ALA O 46 -0.453 -0.741 2.038
+ 6ALA N 47 -0.545 -0.540 2.003
+ 6ALA H 48 -0.586 -0.482 1.931
+ 6ALA CA 49 -0.528 -0.485 2.137
+ 6ALA HA 50 -0.511 -0.569 2.205
+ 6ALA CB 51 -0.416 -0.382 2.142
+ 6ALA HB1 52 -0.328 -0.424 2.094
+ 6ALA HB2 53 -0.404 -0.342 2.242
+ 6ALA HB3 54 -0.448 -0.297 2.081
+ 6ALA C 55 -0.661 -0.426 2.182
+ 6ALA O 56 -0.671 -0.377 2.294
+ 7ALA N 57 -0.768 -0.431 2.103
+ 7ALA H 58 -0.754 -0.484 2.018
+ 7ALA CA 59 -0.905 -0.403 2.144
+ 7ALA HA 60 -0.904 -0.404 2.253
+ 7ALA CB 61 -0.944 -0.264 2.094
+ 7ALA HB1 62 -0.870 -0.189 2.124
+ 7ALA HB2 63 -1.039 -0.247 2.145
+ 7ALA HB3 64 -0.944 -0.267 1.985
+ 7ALA C 65 -0.996 -0.513 2.092
+ 7ALA O 66 -0.951 -0.625 2.069
+ 8ALA N 67 -1.125 -0.490 2.067
+ 8ALA H 68 -1.166 -0.398 2.071
+ 8ALA CA 69 -1.224 -0.586 2.022
+ 8ALA HA 70 -1.162 -0.666 1.980
+ 8ALA CB 71 -1.293 -0.643 2.146
+ 8ALA HB1 72 -1.365 -0.719 2.115
+ 8ALA HB2 73 -1.349 -0.572 2.206
+ 8ALA HB3 74 -1.212 -0.688 2.204
+ 8ALA C 75 -1.306 -0.520 1.913
+ 8ALA O 76 -1.346 -0.405 1.929
+ 9ALA N 77 -1.310 -0.579 1.793
+ 9ALA H 78 -1.301 -0.679 1.803
+ 9ALA CA 79 -1.367 -0.524 1.671
+ 9ALA HA 80 -1.448 -0.458 1.703
+ 9ALA CB 81 -1.268 -0.430 1.604
+ 9ALA HB1 82 -1.303 -0.369 1.520
+ 9ALA HB2 83 -1.186 -0.494 1.569
+ 9ALA HB3 84 -1.228 -0.359 1.676
+ 9ALA C 85 -1.431 -0.623 1.575
+ 9ALA O 86 -1.532 -0.590 1.514
+ 10ALA N 87 -1.381 -0.746 1.565
+ 10ALA H 88 -1.308 -0.771 1.630
+ 10ALA CA 89 -1.417 -0.849 1.469
+ 10ALA HA 90 -1.517 -0.824 1.436
+ 10ALA CB 91 -1.312 -0.840 1.358
+ 10ALA HB1 92 -1.210 -0.831 1.396
+ 10ALA HB2 93 -1.328 -0.745 1.307
+ 10ALA HB3 94 -1.312 -0.928 1.294
+ 10ALA C 95 -1.425 -0.986 1.536
+ 10ALA O 96 -1.535 -1.029 1.569
+ 11ALA N 97 -1.317 -1.064 1.536
+ 11ALA H 98 -1.232 -1.016 1.508
+ 11ALA CA 99 -1.321 -1.203 1.577
+ 11ALA HA 100 -1.398 -1.217 1.653
+ 11ALA CB 101 -1.344 -1.289 1.453
+ 11ALA HB1 102 -1.261 -1.275 1.384
+ 11ALA HB2 103 -1.440 -1.269 1.404
+ 11ALA HB3 104 -1.343 -1.396 1.470
+ 11ALA C 105 -1.188 -1.238 1.643
+ 11ALA O 106 -1.182 -1.247 1.765
+ 12ALA N 107 -1.085 -1.285 1.572
+ 12ALA H 108 -1.102 -1.284 1.473
+ 12ALA CA 109 -0.963 -1.350 1.614
+ 12ALA HA 110 -0.942 -1.307 1.712
+ 12ALA CB 111 -0.979 -1.500 1.633
+ 12ALA HB1 112 -1.079 -1.506 1.676
+ 12ALA HB2 113 -0.904 -1.532 1.705
+ 12ALA HB3 114 -0.969 -1.553 1.538
+ 12ALA C 115 -0.841 -1.312 1.530
+ 12ALA O 116 -0.781 -1.391 1.458
+ 13ALA N 117 -0.811 -1.183 1.538
+ 13ALA H 118 -0.861 -1.116 1.595
+ 13ALA CA 119 -0.689 -1.136 1.476
+ 13ALA HA 120 -0.633 -1.218 1.429
+ 13ALA CB 121 -0.704 -1.034 1.364
+ 13ALA HB1 122 -0.611 -1.006 1.316
+ 13ALA HB2 123 -0.757 -0.947 1.402
+ 13ALA HB3 124 -0.759 -1.090 1.288
+ 13ALA C 125 -0.608 -1.070 1.586
+ 13ALA O 126 -0.634 -0.959 1.630
+ 14NME N 127 -0.501 -1.137 1.632
+ 14NME H 128 -0.480 -1.229 1.596
+ 14NME CH3 129 -0.405 -1.081 1.724
+ 14NME HH31 130 -0.330 -1.159 1.742
+ 14NME HH32 131 -0.445 -1.056 1.822
+ 14NME HH33 132 -0.351 -0.995 1.683
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.150000
132
- 1ACE HH31 1 -0.559 -1.143 2.590 0.0000 0.0000 0.0000
- 1ACE CH3 2 -0.542 -1.233 2.531 0.0000 0.0000 0.0000
- 1ACE HH32 3 -0.439 -1.267 2.525 0.0000 0.0000 0.0000
- 1ACE HH33 4 -0.595 -1.312 2.584 0.0000 0.0000 0.0000
- 1ACE C 5 -0.611 -1.201 2.399 0.0000 0.0000 0.0000
- 1ACE O 6 -0.594 -1.272 2.300 0.0000 0.0000 0.0000
- 2ALA N 7 -0.682 -1.088 2.397 0.0000 0.0000 0.0000
- 2ALA H 8 -0.663 -1.047 2.487 0.0000 0.0000 0.0000
- 2ALA CA 9 -0.769 -1.026 2.298 0.0000 0.0000 0.0000
- 2ALA HA 10 -0.751 -1.054 2.194 0.0000 0.0000 0.0000
- 2ALA CB 11 -0.914 -1.053 2.335 0.0000 0.0000 0.0000
- 2ALA HB1 12 -0.928 -1.075 2.441 0.0000 0.0000 0.0000
- 2ALA HB2 13 -0.956 -1.135 2.276 0.0000 0.0000 0.0000
- 2ALA HB3 14 -0.977 -0.965 2.322 0.0000 0.0000 0.0000
- 2ALA C 15 -0.753 -0.876 2.314 0.0000 0.0000 0.0000
- 2ALA O 16 -0.685 -0.829 2.404 0.0000 0.0000 0.0000
- 3ALA N 17 -0.812 -0.799 2.221 0.0000 0.0000 0.0000
- 3ALA H 18 -0.875 -0.853 2.163 0.0000 0.0000 0.0000
- 3ALA CA 19 -0.813 -0.655 2.232 0.0000 0.0000 0.0000
- 3ALA HA 20 -0.827 -0.627 2.336 0.0000 0.0000 0.0000
- 3ALA CB 21 -0.685 -0.591 2.178 0.0000 0.0000 0.0000
- 3ALA HB1 22 -0.679 -0.583 2.070 0.0000 0.0000 0.0000
- 3ALA HB2 23 -0.597 -0.639 2.220 0.0000 0.0000 0.0000
- 3ALA HB3 24 -0.680 -0.491 2.221 0.0000 0.0000 0.0000
- 3ALA C 25 -0.934 -0.593 2.163 0.0000 0.0000 0.0000
- 3ALA O 26 -0.993 -0.658 2.077 0.0000 0.0000 0.0000
- 4ALA N 27 -0.966 -0.469 2.200 0.0000 0.0000 0.0000
- 4ALA H 28 -0.898 -0.423 2.259 0.0000 0.0000 0.0000
- 4ALA CA 29 -1.073 -0.389 2.144 0.0000 0.0000 0.0000
- 4ALA HA 30 -1.169 -0.423 2.184 0.0000 0.0000 0.0000
- 4ALA CB 31 -1.053 -0.246 2.194 0.0000 0.0000 0.0000
- 4ALA HB1 32 -1.141 -0.181 2.195 0.0000 0.0000 0.0000
- 4ALA HB2 33 -0.976 -0.208 2.127 0.0000 0.0000 0.0000
- 4ALA HB3 34 -1.015 -0.250 2.296 0.0000 0.0000 0.0000
- 4ALA C 35 -1.082 -0.397 1.993 0.0000 0.0000 0.0000
- 4ALA O 36 -1.170 -0.458 1.933 0.0000 0.0000 0.0000
- 5ALA N 37 -0.981 -0.342 1.925 0.0000 0.0000 0.0000
- 5ALA H 38 -0.916 -0.291 1.983 0.0000 0.0000 0.0000
- 5ALA CA 39 -0.959 -0.347 1.782 0.0000 0.0000 0.0000
- 5ALA HA 40 -1.036 -0.281 1.740 0.0000 0.0000 0.0000
- 5ALA CB 41 -0.822 -0.291 1.745 0.0000 0.0000 0.0000
- 5ALA HB1 42 -0.809 -0.271 1.639 0.0000 0.0000 0.0000
- 5ALA HB2 43 -0.744 -0.363 1.773 0.0000 0.0000 0.0000
- 5ALA HB3 44 -0.816 -0.191 1.788 0.0000 0.0000 0.0000
- 5ALA C 45 -0.967 -0.484 1.718 0.0000 0.0000 0.0000
- 5ALA O 46 -1.040 -0.505 1.621 0.0000 0.0000 0.0000
- 6ALA N 47 -0.894 -0.581 1.775 0.0000 0.0000 0.0000
- 6ALA H 48 -0.829 -0.572 1.852 0.0000 0.0000 0.0000
- 6ALA CA 49 -0.892 -0.708 1.705 0.0000 0.0000 0.0000
- 6ALA HA 50 -0.873 -0.700 1.598 0.0000 0.0000 0.0000
- 6ALA CB 51 -0.782 -0.800 1.756 0.0000 0.0000 0.0000
- 6ALA HB1 52 -0.681 -0.763 1.740 0.0000 0.0000 0.0000
- 6ALA HB2 53 -0.791 -0.902 1.717 0.0000 0.0000 0.0000
- 6ALA HB3 54 -0.797 -0.801 1.864 0.0000 0.0000 0.0000
- 6ALA C 55 -1.024 -0.783 1.707 0.0000 0.0000 0.0000
- 6ALA O 56 -1.048 -0.865 1.618 0.0000 0.0000 0.0000
- 7ALA N 57 -1.104 -0.766 1.812 0.0000 0.0000 0.0000
- 7ALA H 58 -1.081 -0.693 1.878 0.0000 0.0000 0.0000
- 7ALA CA 59 -1.239 -0.818 1.826 0.0000 0.0000 0.0000
- 7ALA HA 60 -1.244 -0.922 1.795 0.0000 0.0000 0.0000
- 7ALA CB 61 -1.272 -0.819 1.975 0.0000 0.0000 0.0000
- 7ALA HB1 62 -1.302 -0.723 2.017 0.0000 0.0000 0.0000
- 7ALA HB2 63 -1.182 -0.843 2.030 0.0000 0.0000 0.0000
- 7ALA HB3 64 -1.359 -0.885 1.987 0.0000 0.0000 0.0000
- 7ALA C 65 -1.334 -0.741 1.734 0.0000 0.0000 0.0000
- 7ALA O 66 -1.418 -0.803 1.670 0.0000 0.0000 0.0000
- 8ALA N 67 -1.309 -0.610 1.723 0.0000 0.0000 0.0000
- 8ALA H 68 -1.238 -0.566 1.779 0.0000 0.0000 0.0000
- 8ALA CA 69 -1.368 -0.534 1.614 0.0000 0.0000 0.0000
- 8ALA HA 70 -1.476 -0.546 1.625 0.0000 0.0000 0.0000
- 8ALA CB 71 -1.330 -0.388 1.634 0.0000 0.0000 0.0000
- 8ALA HB1 72 -1.376 -0.332 1.552 0.0000 0.0000 0.0000
- 8ALA HB2 73 -1.224 -0.364 1.626 0.0000 0.0000 0.0000
- 8ALA HB3 74 -1.373 -0.351 1.727 0.0000 0.0000 0.0000
- 8ALA C 75 -1.346 -0.595 1.477 0.0000 0.0000 0.0000
- 8ALA O 76 -1.443 -0.622 1.406 0.0000 0.0000 0.0000
- 9ALA N 77 -1.224 -0.630 1.436 0.0000 0.0000 0.0000
- 9ALA H 78 -1.150 -0.600 1.498 0.0000 0.0000 0.0000
- 9ALA CA 79 -1.179 -0.689 1.312 0.0000 0.0000 0.0000
- 9ALA HA 80 -1.241 -0.659 1.227 0.0000 0.0000 0.0000
- 9ALA CB 81 -1.042 -0.626 1.285 0.0000 0.0000 0.0000
- 9ALA HB1 82 -1.013 -0.637 1.180 0.0000 0.0000 0.0000
- 9ALA HB2 83 -0.966 -0.672 1.348 0.0000 0.0000 0.0000
- 9ALA HB3 84 -1.027 -0.519 1.295 0.0000 0.0000 0.0000
- 9ALA C 85 -1.177 -0.841 1.311 0.0000 0.0000 0.0000
- 9ALA O 86 -1.100 -0.907 1.242 0.0000 0.0000 0.0000
- 10ALA N 87 -1.275 -0.897 1.382 0.0000 0.0000 0.0000
- 10ALA H 88 -1.332 -0.838 1.441 0.0000 0.0000 0.0000
- 10ALA CA 89 -1.312 -1.037 1.391 0.0000 0.0000 0.0000
- 10ALA HA 90 -1.387 -1.032 1.470 0.0000 0.0000 0.0000
- 10ALA CB 91 -1.385 -1.082 1.265 0.0000 0.0000 0.0000
- 10ALA HB1 92 -1.476 -1.140 1.280 0.0000 0.0000 0.0000
- 10ALA HB2 93 -1.322 -1.140 1.198 0.0000 0.0000 0.0000
- 10ALA HB3 94 -1.421 -0.997 1.207 0.0000 0.0000 0.0000
- 10ALA C 95 -1.211 -1.134 1.453 0.0000 0.0000 0.0000
- 10ALA O 96 -1.250 -1.201 1.549 0.0000 0.0000 0.0000
- 11ALA N 97 -1.083 -1.138 1.417 0.0000 0.0000 0.0000
- 11ALA H 98 -1.075 -1.063 1.349 0.0000 0.0000 0.0000
- 11ALA CA 99 -0.963 -1.202 1.466 0.0000 0.0000 0.0000
- 11ALA HA 100 -0.948 -1.294 1.409 0.0000 0.0000 0.0000
- 11ALA CB 101 -0.847 -1.114 1.421 0.0000 0.0000 0.0000
- 11ALA HB1 102 -0.845 -1.022 1.480 0.0000 0.0000 0.0000
- 11ALA HB2 103 -0.853 -1.086 1.316 0.0000 0.0000 0.0000
- 11ALA HB3 104 -0.747 -1.152 1.444 0.0000 0.0000 0.0000
- 11ALA C 105 -0.969 -1.225 1.616 0.0000 0.0000 0.0000
- 11ALA O 106 -0.934 -1.330 1.670 0.0000 0.0000 0.0000
- 12ALA N 107 -1.014 -1.127 1.695 0.0000 0.0000 0.0000
- 12ALA H 108 -1.035 -1.045 1.640 0.0000 0.0000 0.0000
- 12ALA CA 109 -1.037 -1.122 1.838 0.0000 0.0000 0.0000
- 12ALA HA 110 -1.078 -1.023 1.858 0.0000 0.0000 0.0000
- 12ALA CB 111 -1.133 -1.228 1.889 0.0000 0.0000 0.0000
- 12ALA HB1 112 -1.076 -1.315 1.921 0.0000 0.0000 0.0000
- 12ALA HB2 113 -1.200 -1.251 1.806 0.0000 0.0000 0.0000
- 12ALA HB3 114 -1.198 -1.197 1.971 0.0000 0.0000 0.0000
- 12ALA C 115 -0.909 -1.119 1.920 0.0000 0.0000 0.0000
- 12ALA O 116 -0.897 -1.034 2.008 0.0000 0.0000 0.0000
- 13ALA N 117 -0.813 -1.207 1.891 0.0000 0.0000 0.0000
- 13ALA H 118 -0.824 -1.254 1.802 0.0000 0.0000 0.0000
- 13ALA CA 119 -0.693 -1.224 1.971 0.0000 0.0000 0.0000
- 13ALA HA 120 -0.713 -1.247 2.075 0.0000 0.0000 0.0000
- 13ALA CB 121 -0.640 -1.362 1.933 0.0000 0.0000 0.0000
- 13ALA HB1 122 -0.561 -1.394 2.001 0.0000 0.0000 0.0000
- 13ALA HB2 123 -0.599 -1.344 1.833 0.0000 0.0000 0.0000
- 13ALA HB3 124 -0.710 -1.445 1.931 0.0000 0.0000 0.0000
- 13ALA C 125 -0.592 -1.111 1.959 0.0000 0.0000 0.0000
- 13ALA O 126 -0.578 -1.059 1.849 0.0000 0.0000 0.0000
- 14NME N 127 -0.524 -1.074 2.068 0.0000 0.0000 0.0000
- 14NME H 128 -0.509 -1.137 2.146 0.0000 0.0000 0.0000
- 14NME CH3 129 -0.439 -0.957 2.073 0.0000 0.0000 0.0000
- 14NME HH31 130 -0.371 -0.964 1.988 0.0000 0.0000 0.0000
- 14NME HH32 131 -0.379 -0.945 2.164 0.0000 0.0000 0.0000
- 14NME HH33 132 -0.505 -0.872 2.065 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -0.559 -1.143 2.590
+ 1ACE CH3 2 -0.542 -1.233 2.531
+ 1ACE HH32 3 -0.439 -1.267 2.525
+ 1ACE HH33 4 -0.595 -1.312 2.584
+ 1ACE C 5 -0.611 -1.201 2.399
+ 1ACE O 6 -0.594 -1.272 2.300
+ 2ALA N 7 -0.682 -1.088 2.397
+ 2ALA H 8 -0.663 -1.047 2.487
+ 2ALA CA 9 -0.769 -1.026 2.298
+ 2ALA HA 10 -0.751 -1.054 2.194
+ 2ALA CB 11 -0.914 -1.053 2.335
+ 2ALA HB1 12 -0.928 -1.075 2.441
+ 2ALA HB2 13 -0.956 -1.135 2.276
+ 2ALA HB3 14 -0.977 -0.965 2.322
+ 2ALA C 15 -0.753 -0.876 2.314
+ 2ALA O 16 -0.685 -0.829 2.404
+ 3ALA N 17 -0.812 -0.799 2.221
+ 3ALA H 18 -0.875 -0.853 2.163
+ 3ALA CA 19 -0.813 -0.655 2.232
+ 3ALA HA 20 -0.827 -0.627 2.336
+ 3ALA CB 21 -0.685 -0.591 2.178
+ 3ALA HB1 22 -0.679 -0.583 2.070
+ 3ALA HB2 23 -0.597 -0.639 2.220
+ 3ALA HB3 24 -0.680 -0.491 2.221
+ 3ALA C 25 -0.934 -0.593 2.163
+ 3ALA O 26 -0.993 -0.658 2.077
+ 4ALA N 27 -0.966 -0.469 2.200
+ 4ALA H 28 -0.898 -0.423 2.259
+ 4ALA CA 29 -1.073 -0.389 2.144
+ 4ALA HA 30 -1.169 -0.423 2.184
+ 4ALA CB 31 -1.053 -0.246 2.194
+ 4ALA HB1 32 -1.141 -0.181 2.195
+ 4ALA HB2 33 -0.976 -0.208 2.127
+ 4ALA HB3 34 -1.015 -0.250 2.296
+ 4ALA C 35 -1.082 -0.397 1.993
+ 4ALA O 36 -1.170 -0.458 1.933
+ 5ALA N 37 -0.981 -0.342 1.925
+ 5ALA H 38 -0.916 -0.291 1.983
+ 5ALA CA 39 -0.959 -0.347 1.782
+ 5ALA HA 40 -1.036 -0.281 1.740
+ 5ALA CB 41 -0.822 -0.291 1.745
+ 5ALA HB1 42 -0.809 -0.271 1.639
+ 5ALA HB2 43 -0.744 -0.363 1.773
+ 5ALA HB3 44 -0.816 -0.191 1.788
+ 5ALA C 45 -0.967 -0.484 1.718
+ 5ALA O 46 -1.040 -0.505 1.621
+ 6ALA N 47 -0.894 -0.581 1.775
+ 6ALA H 48 -0.829 -0.572 1.852
+ 6ALA CA 49 -0.892 -0.708 1.705
+ 6ALA HA 50 -0.873 -0.700 1.598
+ 6ALA CB 51 -0.782 -0.800 1.756
+ 6ALA HB1 52 -0.681 -0.763 1.740
+ 6ALA HB2 53 -0.791 -0.902 1.717
+ 6ALA HB3 54 -0.797 -0.801 1.864
+ 6ALA C 55 -1.024 -0.783 1.707
+ 6ALA O 56 -1.048 -0.865 1.618
+ 7ALA N 57 -1.104 -0.766 1.812
+ 7ALA H 58 -1.081 -0.693 1.878
+ 7ALA CA 59 -1.239 -0.818 1.826
+ 7ALA HA 60 -1.244 -0.922 1.795
+ 7ALA CB 61 -1.272 -0.819 1.975
+ 7ALA HB1 62 -1.302 -0.723 2.017
+ 7ALA HB2 63 -1.182 -0.843 2.030
+ 7ALA HB3 64 -1.359 -0.885 1.987
+ 7ALA C 65 -1.334 -0.741 1.734
+ 7ALA O 66 -1.418 -0.803 1.670
+ 8ALA N 67 -1.309 -0.610 1.723
+ 8ALA H 68 -1.238 -0.566 1.779
+ 8ALA CA 69 -1.368 -0.534 1.614
+ 8ALA HA 70 -1.476 -0.546 1.625
+ 8ALA CB 71 -1.330 -0.388 1.634
+ 8ALA HB1 72 -1.376 -0.332 1.552
+ 8ALA HB2 73 -1.224 -0.364 1.626
+ 8ALA HB3 74 -1.373 -0.351 1.727
+ 8ALA C 75 -1.346 -0.595 1.477
+ 8ALA O 76 -1.443 -0.622 1.406
+ 9ALA N 77 -1.224 -0.630 1.436
+ 9ALA H 78 -1.150 -0.600 1.498
+ 9ALA CA 79 -1.179 -0.689 1.312
+ 9ALA HA 80 -1.241 -0.659 1.227
+ 9ALA CB 81 -1.042 -0.626 1.285
+ 9ALA HB1 82 -1.013 -0.637 1.180
+ 9ALA HB2 83 -0.966 -0.672 1.348
+ 9ALA HB3 84 -1.027 -0.519 1.295
+ 9ALA C 85 -1.177 -0.841 1.311
+ 9ALA O 86 -1.100 -0.907 1.242
+ 10ALA N 87 -1.275 -0.897 1.382
+ 10ALA H 88 -1.332 -0.838 1.441
+ 10ALA CA 89 -1.312 -1.037 1.391
+ 10ALA HA 90 -1.387 -1.032 1.470
+ 10ALA CB 91 -1.385 -1.082 1.265
+ 10ALA HB1 92 -1.476 -1.140 1.280
+ 10ALA HB2 93 -1.322 -1.140 1.198
+ 10ALA HB3 94 -1.421 -0.997 1.207
+ 10ALA C 95 -1.211 -1.134 1.453
+ 10ALA O 96 -1.250 -1.201 1.549
+ 11ALA N 97 -1.083 -1.138 1.417
+ 11ALA H 98 -1.075 -1.063 1.349
+ 11ALA CA 99 -0.963 -1.202 1.466
+ 11ALA HA 100 -0.948 -1.294 1.409
+ 11ALA CB 101 -0.847 -1.114 1.421
+ 11ALA HB1 102 -0.845 -1.022 1.480
+ 11ALA HB2 103 -0.853 -1.086 1.316
+ 11ALA HB3 104 -0.747 -1.152 1.444
+ 11ALA C 105 -0.969 -1.225 1.616
+ 11ALA O 106 -0.934 -1.330 1.670
+ 12ALA N 107 -1.014 -1.127 1.695
+ 12ALA H 108 -1.035 -1.045 1.640
+ 12ALA CA 109 -1.037 -1.122 1.838
+ 12ALA HA 110 -1.078 -1.023 1.858
+ 12ALA CB 111 -1.133 -1.228 1.889
+ 12ALA HB1 112 -1.076 -1.315 1.921
+ 12ALA HB2 113 -1.200 -1.251 1.806
+ 12ALA HB3 114 -1.198 -1.197 1.971
+ 12ALA C 115 -0.909 -1.119 1.920
+ 12ALA O 116 -0.897 -1.034 2.008
+ 13ALA N 117 -0.813 -1.207 1.891
+ 13ALA H 118 -0.824 -1.254 1.802
+ 13ALA CA 119 -0.693 -1.224 1.971
+ 13ALA HA 120 -0.713 -1.247 2.075
+ 13ALA CB 121 -0.640 -1.362 1.933
+ 13ALA HB1 122 -0.561 -1.394 2.001
+ 13ALA HB2 123 -0.599 -1.344 1.833
+ 13ALA HB3 124 -0.710 -1.445 1.931
+ 13ALA C 125 -0.592 -1.111 1.959
+ 13ALA O 126 -0.578 -1.059 1.849
+ 14NME N 127 -0.524 -1.074 2.068
+ 14NME H 128 -0.509 -1.137 2.146
+ 14NME CH3 129 -0.439 -0.957 2.073
+ 14NME HH31 130 -0.371 -0.964 1.988
+ 14NME HH32 131 -0.379 -0.945 2.164
+ 14NME HH33 132 -0.505 -0.872 2.065
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.200000
132
- 1ACE HH31 1 -0.645 -0.326 2.596 0.0000 0.0000 0.0000
- 1ACE CH3 2 -0.672 -0.294 2.495 0.0000 0.0000 0.0000
- 1ACE HH32 3 -0.746 -0.215 2.506 0.0000 0.0000 0.0000
- 1ACE HH33 4 -0.579 -0.270 2.443 0.0000 0.0000 0.0000
- 1ACE C 5 -0.739 -0.407 2.419 0.0000 0.0000 0.0000
- 1ACE O 6 -0.781 -0.390 2.305 0.0000 0.0000 0.0000
- 2ALA N 7 -0.754 -0.521 2.488 0.0000 0.0000 0.0000
- 2ALA H 8 -0.697 -0.516 2.571 0.0000 0.0000 0.0000
- 2ALA CA 9 -0.804 -0.652 2.453 0.0000 0.0000 0.0000
- 2ALA HA 10 -0.729 -0.696 2.387 0.0000 0.0000 0.0000
- 2ALA CB 11 -0.801 -0.739 2.579 0.0000 0.0000 0.0000
- 2ALA HB1 12 -0.843 -0.685 2.664 0.0000 0.0000 0.0000
- 2ALA HB2 13 -0.699 -0.764 2.609 0.0000 0.0000 0.0000
- 2ALA HB3 14 -0.845 -0.838 2.572 0.0000 0.0000 0.0000
- 2ALA C 15 -0.937 -0.642 2.379 0.0000 0.0000 0.0000
- 2ALA O 16 -0.943 -0.692 2.267 0.0000 0.0000 0.0000
- 3ALA N 17 -1.034 -0.561 2.423 0.0000 0.0000 0.0000
- 3ALA H 18 -1.026 -0.535 2.520 0.0000 0.0000 0.0000
- 3ALA CA 19 -1.159 -0.534 2.354 0.0000 0.0000 0.0000
- 3ALA HA 20 -1.216 -0.627 2.351 0.0000 0.0000 0.0000
- 3ALA CB 21 -1.237 -0.429 2.432 0.0000 0.0000 0.0000
- 3ALA HB1 22 -1.256 -0.477 2.528 0.0000 0.0000 0.0000
- 3ALA HB2 23 -1.330 -0.397 2.385 0.0000 0.0000 0.0000
- 3ALA HB3 24 -1.175 -0.341 2.452 0.0000 0.0000 0.0000
- 3ALA C 25 -1.135 -0.494 2.209 0.0000 0.0000 0.0000
- 3ALA O 26 -1.206 -0.551 2.127 0.0000 0.0000 0.0000
- 4ALA N 27 -1.049 -0.399 2.171 0.0000 0.0000 0.0000
- 4ALA H 28 -0.983 -0.362 2.237 0.0000 0.0000 0.0000
- 4ALA CA 29 -1.044 -0.348 2.035 0.0000 0.0000 0.0000
- 4ALA HA 30 -1.147 -0.341 1.999 0.0000 0.0000 0.0000
- 4ALA CB 31 -0.986 -0.207 2.036 0.0000 0.0000 0.0000
- 4ALA HB1 32 -0.991 -0.175 1.932 0.0000 0.0000 0.0000
- 4ALA HB2 33 -0.878 -0.198 2.053 0.0000 0.0000 0.0000
- 4ALA HB3 34 -1.049 -0.150 2.105 0.0000 0.0000 0.0000
- 4ALA C 35 -0.969 -0.441 1.941 0.0000 0.0000 0.0000
- 4ALA O 36 -1.002 -0.463 1.824 0.0000 0.0000 0.0000
- 5ALA N 37 -0.869 -0.506 2.001 0.0000 0.0000 0.0000
- 5ALA H 38 -0.868 -0.488 2.100 0.0000 0.0000 0.0000
- 5ALA CA 39 -0.803 -0.625 1.953 0.0000 0.0000 0.0000
- 5ALA HA 40 -0.750 -0.584 1.867 0.0000 0.0000 0.0000
- 5ALA CB 41 -0.701 -0.667 2.059 0.0000 0.0000 0.0000
- 5ALA HB1 42 -0.728 -0.643 2.161 0.0000 0.0000 0.0000
- 5ALA HB2 43 -0.606 -0.615 2.049 0.0000 0.0000 0.0000
- 5ALA HB3 44 -0.679 -0.774 2.054 0.0000 0.0000 0.0000
- 5ALA C 45 -0.889 -0.739 1.899 0.0000 0.0000 0.0000
- 5ALA O 46 -0.892 -0.760 1.778 0.0000 0.0000 0.0000
- 6ALA N 47 -0.973 -0.797 1.984 0.0000 0.0000 0.0000
- 6ALA H 48 -0.958 -0.766 2.079 0.0000 0.0000 0.0000
- 6ALA CA 49 -1.086 -0.885 1.960 0.0000 0.0000 0.0000
- 6ALA HA 50 -1.044 -0.981 1.928 0.0000 0.0000 0.0000
- 6ALA CB 51 -1.166 -0.906 2.088 0.0000 0.0000 0.0000
- 6ALA HB1 52 -1.103 -0.940 2.170 0.0000 0.0000 0.0000
- 6ALA HB2 53 -1.236 -0.987 2.067 0.0000 0.0000 0.0000
- 6ALA HB3 54 -1.213 -0.810 2.111 0.0000 0.0000 0.0000
- 6ALA C 55 -1.173 -0.830 1.848 0.0000 0.0000 0.0000
- 6ALA O 56 -1.206 -0.903 1.756 0.0000 0.0000 0.0000
- 7ALA N 57 -1.214 -0.703 1.854 0.0000 0.0000 0.0000
- 7ALA H 58 -1.194 -0.651 1.938 0.0000 0.0000 0.0000
- 7ALA CA 59 -1.312 -0.650 1.761 0.0000 0.0000 0.0000
- 7ALA HA 60 -1.396 -0.717 1.746 0.0000 0.0000 0.0000
- 7ALA CB 61 -1.360 -0.520 1.824 0.0000 0.0000 0.0000
- 7ALA HB1 62 -1.279 -0.447 1.824 0.0000 0.0000 0.0000
- 7ALA HB2 63 -1.400 -0.531 1.924 0.0000 0.0000 0.0000
- 7ALA HB3 64 -1.440 -0.484 1.759 0.0000 0.0000 0.0000
- 7ALA C 65 -1.261 -0.619 1.621 0.0000 0.0000 0.0000
- 7ALA O 66 -1.344 -0.585 1.537 0.0000 0.0000 0.0000
- 8ALA N 67 -1.132 -0.644 1.597 0.0000 0.0000 0.0000
- 8ALA H 68 -1.085 -0.659 1.685 0.0000 0.0000 0.0000
- 8ALA CA 69 -1.057 -0.615 1.476 0.0000 0.0000 0.0000
- 8ALA HA 70 -1.130 -0.580 1.403 0.0000 0.0000 0.0000
- 8ALA CB 71 -0.969 -0.493 1.502 0.0000 0.0000 0.0000
- 8ALA HB1 72 -0.894 -0.519 1.577 0.0000 0.0000 0.0000
- 8ALA HB2 73 -1.031 -0.408 1.530 0.0000 0.0000 0.0000
- 8ALA HB3 74 -0.921 -0.475 1.406 0.0000 0.0000 0.0000
- 8ALA C 75 -0.970 -0.727 1.419 0.0000 0.0000 0.0000
- 8ALA O 76 -0.986 -0.754 1.300 0.0000 0.0000 0.0000
- 9ALA N 77 -0.876 -0.781 1.496 0.0000 0.0000 0.0000
- 9ALA H 78 -0.865 -0.761 1.594 0.0000 0.0000 0.0000
- 9ALA CA 79 -0.771 -0.857 1.430 0.0000 0.0000 0.0000
- 9ALA HA 80 -0.812 -0.909 1.344 0.0000 0.0000 0.0000
- 9ALA CB 81 -0.672 -0.746 1.397 0.0000 0.0000 0.0000
- 9ALA HB1 82 -0.575 -0.780 1.361 0.0000 0.0000 0.0000
- 9ALA HB2 83 -0.650 -0.677 1.479 0.0000 0.0000 0.0000
- 9ALA HB3 84 -0.711 -0.687 1.314 0.0000 0.0000 0.0000
- 9ALA C 85 -0.706 -0.962 1.518 0.0000 0.0000 0.0000
- 9ALA O 86 -0.619 -1.034 1.468 0.0000 0.0000 0.0000
- 10ALA N 87 -0.746 -0.977 1.645 0.0000 0.0000 0.0000
- 10ALA H 88 -0.822 -0.919 1.677 0.0000 0.0000 0.0000
- 10ALA CA 89 -0.696 -1.082 1.731 0.0000 0.0000 0.0000
- 10ALA HA 90 -0.593 -1.106 1.702 0.0000 0.0000 0.0000
- 10ALA CB 91 -0.695 -1.040 1.877 0.0000 0.0000 0.0000
- 10ALA HB1 92 -0.636 -0.951 1.900 0.0000 0.0000 0.0000
- 10ALA HB2 93 -0.665 -1.120 1.945 0.0000 0.0000 0.0000
- 10ALA HB3 94 -0.795 -1.005 1.901 0.0000 0.0000 0.0000
- 10ALA C 95 -0.776 -1.209 1.710 0.0000 0.0000 0.0000
- 10ALA O 96 -0.868 -1.235 1.788 0.0000 0.0000 0.0000
- 11ALA N 97 -0.756 -1.270 1.593 0.0000 0.0000 0.0000
- 11ALA H 98 -0.681 -1.232 1.538 0.0000 0.0000 0.0000
- 11ALA CA 99 -0.838 -1.380 1.544 0.0000 0.0000 0.0000
- 11ALA HA 100 -0.795 -1.423 1.453 0.0000 0.0000 0.0000
- 11ALA CB 101 -0.844 -1.502 1.635 0.0000 0.0000 0.0000
- 11ALA HB1 102 -0.743 -1.538 1.653 0.0000 0.0000 0.0000
- 11ALA HB2 103 -0.895 -1.587 1.590 0.0000 0.0000 0.0000
- 11ALA HB3 104 -0.897 -1.475 1.726 0.0000 0.0000 0.0000
- 11ALA C 105 -0.976 -1.338 1.497 0.0000 0.0000 0.0000
- 11ALA O 106 -1.010 -1.342 1.379 0.0000 0.0000 0.0000
- 12ALA N 107 -1.061 -1.294 1.590 0.0000 0.0000 0.0000
- 12ALA H 108 -1.016 -1.257 1.673 0.0000 0.0000 0.0000
- 12ALA CA 109 -1.196 -1.243 1.578 0.0000 0.0000 0.0000
- 12ALA HA 110 -1.248 -1.322 1.524 0.0000 0.0000 0.0000
- 12ALA CB 111 -1.263 -1.229 1.715 0.0000 0.0000 0.0000
- 12ALA HB1 112 -1.258 -1.327 1.761 0.0000 0.0000 0.0000
- 12ALA HB2 113 -1.365 -1.193 1.698 0.0000 0.0000 0.0000
- 12ALA HB3 114 -1.215 -1.150 1.773 0.0000 0.0000 0.0000
- 12ALA C 115 -1.205 -1.116 1.494 0.0000 0.0000 0.0000
- 12ALA O 116 -1.105 -1.045 1.484 0.0000 0.0000 0.0000
- 13ALA N 117 -1.326 -1.081 1.452 0.0000 0.0000 0.0000
- 13ALA H 118 -1.405 -1.135 1.483 0.0000 0.0000 0.0000
- 13ALA CA 119 -1.359 -0.946 1.410 0.0000 0.0000 0.0000
- 13ALA HA 120 -1.300 -0.875 1.467 0.0000 0.0000 0.0000
- 13ALA CB 121 -1.327 -0.938 1.261 0.0000 0.0000 0.0000
- 13ALA HB1 122 -1.336 -0.833 1.231 0.0000 0.0000 0.0000
- 13ALA HB2 123 -1.408 -0.976 1.199 0.0000 0.0000 0.0000
- 13ALA HB3 124 -1.234 -0.985 1.229 0.0000 0.0000 0.0000
- 13ALA C 125 -1.507 -0.921 1.436 0.0000 0.0000 0.0000
- 13ALA O 126 -1.589 -1.010 1.411 0.0000 0.0000 0.0000
- 14NME N 127 -1.550 -0.804 1.482 0.0000 0.0000 0.0000
- 14NME H 128 -1.483 -0.728 1.489 0.0000 0.0000 0.0000
- 14NME CH3 129 -1.687 -0.774 1.518 0.0000 0.0000 0.0000
- 14NME HH31 130 -1.741 -0.849 1.576 0.0000 0.0000 0.0000
- 14NME HH32 131 -1.748 -0.786 1.428 0.0000 0.0000 0.0000
- 14NME HH33 132 -1.694 -0.671 1.554 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -0.645 -0.326 2.596
+ 1ACE CH3 2 -0.672 -0.294 2.495
+ 1ACE HH32 3 -0.746 -0.215 2.506
+ 1ACE HH33 4 -0.579 -0.270 2.443
+ 1ACE C 5 -0.739 -0.407 2.419
+ 1ACE O 6 -0.781 -0.390 2.305
+ 2ALA N 7 -0.754 -0.521 2.488
+ 2ALA H 8 -0.697 -0.516 2.571
+ 2ALA CA 9 -0.804 -0.652 2.453
+ 2ALA HA 10 -0.729 -0.696 2.387
+ 2ALA CB 11 -0.801 -0.739 2.579
+ 2ALA HB1 12 -0.843 -0.685 2.664
+ 2ALA HB2 13 -0.699 -0.764 2.609
+ 2ALA HB3 14 -0.845 -0.838 2.572
+ 2ALA C 15 -0.937 -0.642 2.379
+ 2ALA O 16 -0.943 -0.692 2.267
+ 3ALA N 17 -1.034 -0.561 2.423
+ 3ALA H 18 -1.026 -0.535 2.520
+ 3ALA CA 19 -1.159 -0.534 2.354
+ 3ALA HA 20 -1.216 -0.627 2.351
+ 3ALA CB 21 -1.237 -0.429 2.432
+ 3ALA HB1 22 -1.256 -0.477 2.528
+ 3ALA HB2 23 -1.330 -0.397 2.385
+ 3ALA HB3 24 -1.175 -0.341 2.452
+ 3ALA C 25 -1.135 -0.494 2.209
+ 3ALA O 26 -1.206 -0.551 2.127
+ 4ALA N 27 -1.049 -0.399 2.171
+ 4ALA H 28 -0.983 -0.362 2.237
+ 4ALA CA 29 -1.044 -0.348 2.035
+ 4ALA HA 30 -1.147 -0.341 1.999
+ 4ALA CB 31 -0.986 -0.207 2.036
+ 4ALA HB1 32 -0.991 -0.175 1.932
+ 4ALA HB2 33 -0.878 -0.198 2.053
+ 4ALA HB3 34 -1.049 -0.150 2.105
+ 4ALA C 35 -0.969 -0.441 1.941
+ 4ALA O 36 -1.002 -0.463 1.824
+ 5ALA N 37 -0.869 -0.506 2.001
+ 5ALA H 38 -0.868 -0.488 2.100
+ 5ALA CA 39 -0.803 -0.625 1.953
+ 5ALA HA 40 -0.750 -0.584 1.867
+ 5ALA CB 41 -0.701 -0.667 2.059
+ 5ALA HB1 42 -0.728 -0.643 2.161
+ 5ALA HB2 43 -0.606 -0.615 2.049
+ 5ALA HB3 44 -0.679 -0.774 2.054
+ 5ALA C 45 -0.889 -0.739 1.899
+ 5ALA O 46 -0.892 -0.760 1.778
+ 6ALA N 47 -0.973 -0.797 1.984
+ 6ALA H 48 -0.958 -0.766 2.079
+ 6ALA CA 49 -1.086 -0.885 1.960
+ 6ALA HA 50 -1.044 -0.981 1.928
+ 6ALA CB 51 -1.166 -0.906 2.088
+ 6ALA HB1 52 -1.103 -0.940 2.170
+ 6ALA HB2 53 -1.236 -0.987 2.067
+ 6ALA HB3 54 -1.213 -0.810 2.111
+ 6ALA C 55 -1.173 -0.830 1.848
+ 6ALA O 56 -1.206 -0.903 1.756
+ 7ALA N 57 -1.214 -0.703 1.854
+ 7ALA H 58 -1.194 -0.651 1.938
+ 7ALA CA 59 -1.312 -0.650 1.761
+ 7ALA HA 60 -1.396 -0.717 1.746
+ 7ALA CB 61 -1.360 -0.520 1.824
+ 7ALA HB1 62 -1.279 -0.447 1.824
+ 7ALA HB2 63 -1.400 -0.531 1.924
+ 7ALA HB3 64 -1.440 -0.484 1.759
+ 7ALA C 65 -1.261 -0.619 1.621
+ 7ALA O 66 -1.344 -0.585 1.537
+ 8ALA N 67 -1.132 -0.644 1.597
+ 8ALA H 68 -1.085 -0.659 1.685
+ 8ALA CA 69 -1.057 -0.615 1.476
+ 8ALA HA 70 -1.130 -0.580 1.403
+ 8ALA CB 71 -0.969 -0.493 1.502
+ 8ALA HB1 72 -0.894 -0.519 1.577
+ 8ALA HB2 73 -1.031 -0.408 1.530
+ 8ALA HB3 74 -0.921 -0.475 1.406
+ 8ALA C 75 -0.970 -0.727 1.419
+ 8ALA O 76 -0.986 -0.754 1.300
+ 9ALA N 77 -0.876 -0.781 1.496
+ 9ALA H 78 -0.865 -0.761 1.594
+ 9ALA CA 79 -0.771 -0.857 1.430
+ 9ALA HA 80 -0.812 -0.909 1.344
+ 9ALA CB 81 -0.672 -0.746 1.397
+ 9ALA HB1 82 -0.575 -0.780 1.361
+ 9ALA HB2 83 -0.650 -0.677 1.479
+ 9ALA HB3 84 -0.711 -0.687 1.314
+ 9ALA C 85 -0.706 -0.962 1.518
+ 9ALA O 86 -0.619 -1.034 1.468
+ 10ALA N 87 -0.746 -0.977 1.645
+ 10ALA H 88 -0.822 -0.919 1.677
+ 10ALA CA 89 -0.696 -1.082 1.731
+ 10ALA HA 90 -0.593 -1.106 1.702
+ 10ALA CB 91 -0.695 -1.040 1.877
+ 10ALA HB1 92 -0.636 -0.951 1.900
+ 10ALA HB2 93 -0.665 -1.120 1.945
+ 10ALA HB3 94 -0.795 -1.005 1.901
+ 10ALA C 95 -0.776 -1.209 1.710
+ 10ALA O 96 -0.868 -1.235 1.788
+ 11ALA N 97 -0.756 -1.270 1.593
+ 11ALA H 98 -0.681 -1.232 1.538
+ 11ALA CA 99 -0.838 -1.380 1.544
+ 11ALA HA 100 -0.795 -1.423 1.453
+ 11ALA CB 101 -0.844 -1.502 1.635
+ 11ALA HB1 102 -0.743 -1.538 1.653
+ 11ALA HB2 103 -0.895 -1.587 1.590
+ 11ALA HB3 104 -0.897 -1.475 1.726
+ 11ALA C 105 -0.976 -1.338 1.497
+ 11ALA O 106 -1.010 -1.342 1.379
+ 12ALA N 107 -1.061 -1.294 1.590
+ 12ALA H 108 -1.016 -1.257 1.673
+ 12ALA CA 109 -1.196 -1.243 1.578
+ 12ALA HA 110 -1.248 -1.322 1.524
+ 12ALA CB 111 -1.263 -1.229 1.715
+ 12ALA HB1 112 -1.258 -1.327 1.761
+ 12ALA HB2 113 -1.365 -1.193 1.698
+ 12ALA HB3 114 -1.215 -1.150 1.773
+ 12ALA C 115 -1.205 -1.116 1.494
+ 12ALA O 116 -1.105 -1.045 1.484
+ 13ALA N 117 -1.326 -1.081 1.452
+ 13ALA H 118 -1.405 -1.135 1.483
+ 13ALA CA 119 -1.359 -0.946 1.410
+ 13ALA HA 120 -1.300 -0.875 1.467
+ 13ALA CB 121 -1.327 -0.938 1.261
+ 13ALA HB1 122 -1.336 -0.833 1.231
+ 13ALA HB2 123 -1.408 -0.976 1.199
+ 13ALA HB3 124 -1.234 -0.985 1.229
+ 13ALA C 125 -1.507 -0.921 1.436
+ 13ALA O 126 -1.589 -1.010 1.411
+ 14NME N 127 -1.550 -0.804 1.482
+ 14NME H 128 -1.483 -0.728 1.489
+ 14NME CH3 129 -1.687 -0.774 1.518
+ 14NME HH31 130 -1.741 -0.849 1.576
+ 14NME HH32 131 -1.748 -0.786 1.428
+ 14NME HH33 132 -1.694 -0.671 1.554
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.250000
132
- 1ACE HH31 1 -0.265 -0.942 2.309 0.0000 0.0000 0.0000
- 1ACE CH3 2 -0.191 -0.877 2.263 0.0000 0.0000 0.0000
- 1ACE HH32 3 -0.091 -0.897 2.303 0.0000 0.0000 0.0000
- 1ACE HH33 4 -0.196 -0.896 2.156 0.0000 0.0000 0.0000
- 1ACE C 5 -0.220 -0.729 2.280 0.0000 0.0000 0.0000
- 1ACE O 6 -0.308 -0.688 2.356 0.0000 0.0000 0.0000
- 2ALA N 7 -0.147 -0.647 2.204 0.0000 0.0000 0.0000
- 2ALA H 8 -0.071 -0.691 2.155 0.0000 0.0000 0.0000
- 2ALA CA 9 -0.157 -0.505 2.176 0.0000 0.0000 0.0000
- 2ALA HA 10 -0.129 -0.445 2.263 0.0000 0.0000 0.0000
- 2ALA CB 11 -0.045 -0.471 2.078 0.0000 0.0000 0.0000
- 2ALA HB1 12 -0.028 -0.364 2.080 0.0000 0.0000 0.0000
- 2ALA HB2 13 -0.068 -0.494 1.974 0.0000 0.0000 0.0000
- 2ALA HB3 14 0.054 -0.507 2.107 0.0000 0.0000 0.0000
- 2ALA C 15 -0.296 -0.458 2.137 0.0000 0.0000 0.0000
- 2ALA O 16 -0.349 -0.361 2.190 0.0000 0.0000 0.0000
- 3ALA N 17 -0.362 -0.534 2.049 0.0000 0.0000 0.0000
- 3ALA H 18 -0.324 -0.625 2.025 0.0000 0.0000 0.0000
- 3ALA CA 19 -0.493 -0.503 1.995 0.0000 0.0000 0.0000
- 3ALA HA 20 -0.546 -0.426 2.051 0.0000 0.0000 0.0000
- 3ALA CB 21 -0.466 -0.445 1.856 0.0000 0.0000 0.0000
- 3ALA HB1 22 -0.427 -0.343 1.862 0.0000 0.0000 0.0000
- 3ALA HB2 23 -0.556 -0.455 1.794 0.0000 0.0000 0.0000
- 3ALA HB3 24 -0.387 -0.496 1.801 0.0000 0.0000 0.0000
- 3ALA C 25 -0.575 -0.631 1.995 0.0000 0.0000 0.0000
- 3ALA O 26 -0.524 -0.740 1.970 0.0000 0.0000 0.0000
- 4ALA N 27 -0.705 -0.616 2.018 0.0000 0.0000 0.0000
- 4ALA H 28 -0.750 -0.526 2.009 0.0000 0.0000 0.0000
- 4ALA CA 29 -0.804 -0.722 2.011 0.0000 0.0000 0.0000
- 4ALA HA 30 -0.779 -0.787 1.927 0.0000 0.0000 0.0000
- 4ALA CB 31 -0.793 -0.815 2.132 0.0000 0.0000 0.0000
- 4ALA HB1 32 -0.869 -0.893 2.122 0.0000 0.0000 0.0000
- 4ALA HB2 33 -0.829 -0.763 2.221 0.0000 0.0000 0.0000
- 4ALA HB3 34 -0.691 -0.852 2.138 0.0000 0.0000 0.0000
- 4ALA C 35 -0.945 -0.671 1.990 0.0000 0.0000 0.0000
- 4ALA O 36 -0.978 -0.561 2.034 0.0000 0.0000 0.0000
- 5ALA N 37 -1.036 -0.754 1.938 0.0000 0.0000 0.0000
- 5ALA H 38 -1.006 -0.843 1.900 0.0000 0.0000 0.0000
- 5ALA CA 39 -1.177 -0.724 1.928 0.0000 0.0000 0.0000
- 5ALA HA 40 -1.211 -0.678 2.021 0.0000 0.0000 0.0000
- 5ALA CB 41 -1.220 -0.618 1.826 0.0000 0.0000 0.0000
- 5ALA HB1 42 -1.183 -0.518 1.849 0.0000 0.0000 0.0000
- 5ALA HB2 43 -1.327 -0.598 1.820 0.0000 0.0000 0.0000
- 5ALA HB3 44 -1.178 -0.651 1.732 0.0000 0.0000 0.0000
- 5ALA C 45 -1.260 -0.848 1.897 0.0000 0.0000 0.0000
- 5ALA O 46 -1.204 -0.935 1.831 0.0000 0.0000 0.0000
- 6ALA N 47 -1.380 -0.861 1.955 0.0000 0.0000 0.0000
- 6ALA H 48 -1.422 -0.777 1.994 0.0000 0.0000 0.0000
- 6ALA CA 49 -1.473 -0.968 1.927 0.0000 0.0000 0.0000
- 6ALA HA 50 -1.451 -1.006 1.827 0.0000 0.0000 0.0000
- 6ALA CB 51 -1.451 -1.087 2.021 0.0000 0.0000 0.0000
- 6ALA HB1 52 -1.467 -1.068 2.127 0.0000 0.0000 0.0000
- 6ALA HB2 53 -1.349 -1.119 2.001 0.0000 0.0000 0.0000
- 6ALA HB3 54 -1.517 -1.171 1.998 0.0000 0.0000 0.0000
- 6ALA C 55 -1.615 -0.915 1.929 0.0000 0.0000 0.0000
- 6ALA O 56 -1.648 -0.817 1.995 0.0000 0.0000 0.0000
- 7ALA N 57 -1.698 -0.980 1.847 0.0000 0.0000 0.0000
- 7ALA H 58 -1.650 -1.048 1.788 0.0000 0.0000 0.0000
- 7ALA CA 59 -1.822 -0.947 1.780 0.0000 0.0000 0.0000
- 7ALA HA 60 -1.841 -1.039 1.726 0.0000 0.0000 0.0000
- 7ALA CB 61 -1.936 -0.942 1.881 0.0000 0.0000 0.0000
- 7ALA HB1 62 -1.917 -1.012 1.963 0.0000 0.0000 0.0000
- 7ALA HB2 63 -2.028 -0.972 1.830 0.0000 0.0000 0.0000
- 7ALA HB3 64 -1.948 -0.843 1.924 0.0000 0.0000 0.0000
- 7ALA C 65 -1.813 -0.836 1.676 0.0000 0.0000 0.0000
- 7ALA O 66 -1.869 -0.851 1.568 0.0000 0.0000 0.0000
- 8ALA N 67 -1.746 -0.724 1.708 0.0000 0.0000 0.0000
- 8ALA H 68 -1.718 -0.717 1.805 0.0000 0.0000 0.0000
- 8ALA CA 69 -1.713 -0.618 1.616 0.0000 0.0000 0.0000
- 8ALA HA 70 -1.799 -0.598 1.551 0.0000 0.0000 0.0000
- 8ALA CB 71 -1.687 -0.486 1.688 0.0000 0.0000 0.0000
- 8ALA HB1 72 -1.769 -0.456 1.754 0.0000 0.0000 0.0000
- 8ALA HB2 73 -1.666 -0.407 1.616 0.0000 0.0000 0.0000
- 8ALA HB3 74 -1.605 -0.504 1.757 0.0000 0.0000 0.0000
- 8ALA C 75 -1.598 -0.667 1.528 0.0000 0.0000 0.0000
- 8ALA O 76 -1.483 -0.636 1.557 0.0000 0.0000 0.0000
- 9ALA N 77 -1.629 -0.758 1.435 0.0000 0.0000 0.0000
- 9ALA H 78 -1.728 -0.779 1.435 0.0000 0.0000 0.0000
- 9ALA CA 79 -1.543 -0.860 1.379 0.0000 0.0000 0.0000
- 9ALA HA 80 -1.603 -0.934 1.326 0.0000 0.0000 0.0000
- 9ALA CB 81 -1.451 -0.803 1.272 0.0000 0.0000 0.0000
- 9ALA HB1 82 -1.363 -0.758 1.317 0.0000 0.0000 0.0000
- 9ALA HB2 83 -1.503 -0.739 1.201 0.0000 0.0000 0.0000
- 9ALA HB3 84 -1.409 -0.886 1.214 0.0000 0.0000 0.0000
- 9ALA C 85 -1.482 -0.951 1.485 0.0000 0.0000 0.0000
- 9ALA O 86 -1.537 -0.965 1.594 0.0000 0.0000 0.0000
- 10ALA N 87 -1.367 -1.012 1.458 0.0000 0.0000 0.0000
- 10ALA H 88 -1.329 -1.008 1.364 0.0000 0.0000 0.0000
- 10ALA CA 89 -1.294 -1.104 1.543 0.0000 0.0000 0.0000
- 10ALA HA 90 -1.301 -1.096 1.652 0.0000 0.0000 0.0000
- 10ALA CB 91 -1.358 -1.239 1.510 0.0000 0.0000 0.0000
- 10ALA HB1 92 -1.349 -1.253 1.402 0.0000 0.0000 0.0000
- 10ALA HB2 93 -1.465 -1.241 1.531 0.0000 0.0000 0.0000
- 10ALA HB3 94 -1.313 -1.323 1.562 0.0000 0.0000 0.0000
- 10ALA C 95 -1.147 -1.095 1.507 0.0000 0.0000 0.0000
- 10ALA O 96 -1.106 -1.138 1.399 0.0000 0.0000 0.0000
- 11ALA N 97 -1.067 -1.037 1.597 0.0000 0.0000 0.0000
- 11ALA H 98 -1.108 -1.022 1.688 0.0000 0.0000 0.0000
- 11ALA CA 99 -0.930 -1.000 1.570 0.0000 0.0000 0.0000
- 11ALA HA 100 -0.895 -1.065 1.490 0.0000 0.0000 0.0000
- 11ALA CB 101 -0.931 -0.858 1.513 0.0000 0.0000 0.0000
- 11ALA HB1 102 -0.829 -0.825 1.499 0.0000 0.0000 0.0000
- 11ALA HB2 103 -0.975 -0.793 1.589 0.0000 0.0000 0.0000
- 11ALA HB3 104 -0.994 -0.847 1.424 0.0000 0.0000 0.0000
- 11ALA C 105 -0.842 -1.008 1.694 0.0000 0.0000 0.0000
- 11ALA O 106 -0.891 -0.993 1.806 0.0000 0.0000 0.0000
- 12ALA N 107 -0.711 -1.030 1.681 0.0000 0.0000 0.0000
- 12ALA H 108 -0.671 -1.052 1.591 0.0000 0.0000 0.0000
- 12ALA CA 109 -0.616 -1.022 1.791 0.0000 0.0000 0.0000
- 12ALA HA 110 -0.648 -0.936 1.849 0.0000 0.0000 0.0000
- 12ALA CB 111 -0.612 -1.146 1.879 0.0000 0.0000 0.0000
- 12ALA HB1 112 -0.691 -1.151 1.954 0.0000 0.0000 0.0000
- 12ALA HB2 113 -0.530 -1.139 1.951 0.0000 0.0000 0.0000
- 12ALA HB3 114 -0.617 -1.237 1.819 0.0000 0.0000 0.0000
- 12ALA C 115 -0.471 -1.009 1.747 0.0000 0.0000 0.0000
- 12ALA O 116 -0.438 -1.073 1.648 0.0000 0.0000 0.0000
- 13ALA N 117 -0.390 -0.924 1.811 0.0000 0.0000 0.0000
- 13ALA H 118 -0.421 -0.858 1.881 0.0000 0.0000 0.0000
- 13ALA CA 119 -0.262 -0.887 1.754 0.0000 0.0000 0.0000
- 13ALA HA 120 -0.215 -0.976 1.712 0.0000 0.0000 0.0000
- 13ALA CB 121 -0.288 -0.775 1.654 0.0000 0.0000 0.0000
- 13ALA HB1 122 -0.299 -0.674 1.692 0.0000 0.0000 0.0000
- 13ALA HB2 123 -0.375 -0.802 1.593 0.0000 0.0000 0.0000
- 13ALA HB3 124 -0.204 -0.772 1.584 0.0000 0.0000 0.0000
- 13ALA C 125 -0.170 -0.836 1.863 0.0000 0.0000 0.0000
- 13ALA O 126 -0.204 -0.760 1.953 0.0000 0.0000 0.0000
- 14NME N 127 -0.042 -0.871 1.844 0.0000 0.0000 0.0000
- 14NME H 128 -0.026 -0.932 1.766 0.0000 0.0000 0.0000
- 14NME CH3 129 0.070 -0.836 1.929 0.0000 0.0000 0.0000
- 14NME HH31 130 0.138 -0.776 1.869 0.0000 0.0000 0.0000
- 14NME HH32 131 0.114 -0.917 1.988 0.0000 0.0000 0.0000
- 14NME HH33 132 0.042 -0.771 2.011 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -0.265 -0.942 2.309
+ 1ACE CH3 2 -0.191 -0.877 2.263
+ 1ACE HH32 3 -0.091 -0.897 2.303
+ 1ACE HH33 4 -0.196 -0.896 2.156
+ 1ACE C 5 -0.220 -0.729 2.280
+ 1ACE O 6 -0.308 -0.688 2.356
+ 2ALA N 7 -0.147 -0.647 2.204
+ 2ALA H 8 -0.071 -0.691 2.155
+ 2ALA CA 9 -0.157 -0.505 2.176
+ 2ALA HA 10 -0.129 -0.445 2.263
+ 2ALA CB 11 -0.045 -0.471 2.078
+ 2ALA HB1 12 -0.028 -0.364 2.080
+ 2ALA HB2 13 -0.068 -0.494 1.974
+ 2ALA HB3 14 0.054 -0.507 2.107
+ 2ALA C 15 -0.296 -0.458 2.137
+ 2ALA O 16 -0.349 -0.361 2.190
+ 3ALA N 17 -0.362 -0.534 2.049
+ 3ALA H 18 -0.324 -0.625 2.025
+ 3ALA CA 19 -0.493 -0.503 1.995
+ 3ALA HA 20 -0.546 -0.426 2.051
+ 3ALA CB 21 -0.466 -0.445 1.856
+ 3ALA HB1 22 -0.427 -0.343 1.862
+ 3ALA HB2 23 -0.556 -0.455 1.794
+ 3ALA HB3 24 -0.387 -0.496 1.801
+ 3ALA C 25 -0.575 -0.631 1.995
+ 3ALA O 26 -0.524 -0.740 1.970
+ 4ALA N 27 -0.705 -0.616 2.018
+ 4ALA H 28 -0.750 -0.526 2.009
+ 4ALA CA 29 -0.804 -0.722 2.011
+ 4ALA HA 30 -0.779 -0.787 1.927
+ 4ALA CB 31 -0.793 -0.815 2.132
+ 4ALA HB1 32 -0.869 -0.893 2.122
+ 4ALA HB2 33 -0.829 -0.763 2.221
+ 4ALA HB3 34 -0.691 -0.852 2.138
+ 4ALA C 35 -0.945 -0.671 1.990
+ 4ALA O 36 -0.978 -0.561 2.034
+ 5ALA N 37 -1.036 -0.754 1.938
+ 5ALA H 38 -1.006 -0.843 1.900
+ 5ALA CA 39 -1.177 -0.724 1.928
+ 5ALA HA 40 -1.211 -0.678 2.021
+ 5ALA CB 41 -1.220 -0.618 1.826
+ 5ALA HB1 42 -1.183 -0.518 1.849
+ 5ALA HB2 43 -1.327 -0.598 1.820
+ 5ALA HB3 44 -1.178 -0.651 1.732
+ 5ALA C 45 -1.260 -0.848 1.897
+ 5ALA O 46 -1.204 -0.935 1.831
+ 6ALA N 47 -1.380 -0.861 1.955
+ 6ALA H 48 -1.422 -0.777 1.994
+ 6ALA CA 49 -1.473 -0.968 1.927
+ 6ALA HA 50 -1.451 -1.006 1.827
+ 6ALA CB 51 -1.451 -1.087 2.021
+ 6ALA HB1 52 -1.467 -1.068 2.127
+ 6ALA HB2 53 -1.349 -1.119 2.001
+ 6ALA HB3 54 -1.517 -1.171 1.998
+ 6ALA C 55 -1.615 -0.915 1.929
+ 6ALA O 56 -1.648 -0.817 1.995
+ 7ALA N 57 -1.698 -0.980 1.847
+ 7ALA H 58 -1.650 -1.048 1.788
+ 7ALA CA 59 -1.822 -0.947 1.780
+ 7ALA HA 60 -1.841 -1.039 1.726
+ 7ALA CB 61 -1.936 -0.942 1.881
+ 7ALA HB1 62 -1.917 -1.012 1.963
+ 7ALA HB2 63 -2.028 -0.972 1.830
+ 7ALA HB3 64 -1.948 -0.843 1.924
+ 7ALA C 65 -1.813 -0.836 1.676
+ 7ALA O 66 -1.869 -0.851 1.568
+ 8ALA N 67 -1.746 -0.724 1.708
+ 8ALA H 68 -1.718 -0.717 1.805
+ 8ALA CA 69 -1.713 -0.618 1.616
+ 8ALA HA 70 -1.799 -0.598 1.551
+ 8ALA CB 71 -1.687 -0.486 1.688
+ 8ALA HB1 72 -1.769 -0.456 1.754
+ 8ALA HB2 73 -1.666 -0.407 1.616
+ 8ALA HB3 74 -1.605 -0.504 1.757
+ 8ALA C 75 -1.598 -0.667 1.528
+ 8ALA O 76 -1.483 -0.636 1.557
+ 9ALA N 77 -1.629 -0.758 1.435
+ 9ALA H 78 -1.728 -0.779 1.435
+ 9ALA CA 79 -1.543 -0.860 1.379
+ 9ALA HA 80 -1.603 -0.934 1.326
+ 9ALA CB 81 -1.451 -0.803 1.272
+ 9ALA HB1 82 -1.363 -0.758 1.317
+ 9ALA HB2 83 -1.503 -0.739 1.201
+ 9ALA HB3 84 -1.409 -0.886 1.214
+ 9ALA C 85 -1.482 -0.951 1.485
+ 9ALA O 86 -1.537 -0.965 1.594
+ 10ALA N 87 -1.367 -1.012 1.458
+ 10ALA H 88 -1.329 -1.008 1.364
+ 10ALA CA 89 -1.294 -1.104 1.543
+ 10ALA HA 90 -1.301 -1.096 1.652
+ 10ALA CB 91 -1.358 -1.239 1.510
+ 10ALA HB1 92 -1.349 -1.253 1.402
+ 10ALA HB2 93 -1.465 -1.241 1.531
+ 10ALA HB3 94 -1.313 -1.323 1.562
+ 10ALA C 95 -1.147 -1.095 1.507
+ 10ALA O 96 -1.106 -1.138 1.399
+ 11ALA N 97 -1.067 -1.037 1.597
+ 11ALA H 98 -1.108 -1.022 1.688
+ 11ALA CA 99 -0.930 -1.000 1.570
+ 11ALA HA 100 -0.895 -1.065 1.490
+ 11ALA CB 101 -0.931 -0.858 1.513
+ 11ALA HB1 102 -0.829 -0.825 1.499
+ 11ALA HB2 103 -0.975 -0.793 1.589
+ 11ALA HB3 104 -0.994 -0.847 1.424
+ 11ALA C 105 -0.842 -1.008 1.694
+ 11ALA O 106 -0.891 -0.993 1.806
+ 12ALA N 107 -0.711 -1.030 1.681
+ 12ALA H 108 -0.671 -1.052 1.591
+ 12ALA CA 109 -0.616 -1.022 1.791
+ 12ALA HA 110 -0.648 -0.936 1.849
+ 12ALA CB 111 -0.612 -1.146 1.879
+ 12ALA HB1 112 -0.691 -1.151 1.954
+ 12ALA HB2 113 -0.530 -1.139 1.951
+ 12ALA HB3 114 -0.617 -1.237 1.819
+ 12ALA C 115 -0.471 -1.009 1.747
+ 12ALA O 116 -0.438 -1.073 1.648
+ 13ALA N 117 -0.390 -0.924 1.811
+ 13ALA H 118 -0.421 -0.858 1.881
+ 13ALA CA 119 -0.262 -0.887 1.754
+ 13ALA HA 120 -0.215 -0.976 1.712
+ 13ALA CB 121 -0.288 -0.775 1.654
+ 13ALA HB1 122 -0.299 -0.674 1.692
+ 13ALA HB2 123 -0.375 -0.802 1.593
+ 13ALA HB3 124 -0.204 -0.772 1.584
+ 13ALA C 125 -0.170 -0.836 1.863
+ 13ALA O 126 -0.204 -0.760 1.953
+ 14NME N 127 -0.042 -0.871 1.844
+ 14NME H 128 -0.026 -0.932 1.766
+ 14NME CH3 129 0.070 -0.836 1.929
+ 14NME HH31 130 0.138 -0.776 1.869
+ 14NME HH32 131 0.114 -0.917 1.988
+ 14NME HH33 132 0.042 -0.771 2.011
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.300000
132
- 1ACE HH31 1 -1.224 -0.701 1.570 0.0000 0.0000 0.0000
- 1ACE CH3 2 -1.211 -0.800 1.526 0.0000 0.0000 0.0000
- 1ACE HH32 3 -1.288 -0.872 1.553 0.0000 0.0000 0.0000
- 1ACE HH33 4 -1.210 -0.786 1.418 0.0000 0.0000 0.0000
- 1ACE C 5 -1.076 -0.857 1.569 0.0000 0.0000 0.0000
- 1ACE O 6 -1.036 -0.960 1.517 0.0000 0.0000 0.0000
- 2ALA N 7 -0.996 -0.794 1.656 0.0000 0.0000 0.0000
- 2ALA H 8 -1.048 -0.715 1.692 0.0000 0.0000 0.0000
- 2ALA CA 9 -0.855 -0.814 1.681 0.0000 0.0000 0.0000
- 2ALA HA 10 -0.830 -0.900 1.619 0.0000 0.0000 0.0000
- 2ALA CB 11 -0.773 -0.695 1.632 0.0000 0.0000 0.0000
- 2ALA HB1 12 -0.801 -0.612 1.697 0.0000 0.0000 0.0000
- 2ALA HB2 13 -0.803 -0.670 1.531 0.0000 0.0000 0.0000
- 2ALA HB3 14 -0.667 -0.720 1.629 0.0000 0.0000 0.0000
- 2ALA C 15 -0.839 -0.850 1.827 0.0000 0.0000 0.0000
- 2ALA O 16 -0.761 -0.789 1.900 0.0000 0.0000 0.0000
- 3ALA N 17 -0.908 -0.956 1.871 0.0000 0.0000 0.0000
- 3ALA H 18 -0.984 -0.997 1.819 0.0000 0.0000 0.0000
- 3ALA CA 19 -0.916 -0.995 2.011 0.0000 0.0000 0.0000
- 3ALA HA 20 -0.993 -1.072 2.017 0.0000 0.0000 0.0000
- 3ALA CB 21 -0.782 -1.058 2.049 0.0000 0.0000 0.0000
- 3ALA HB1 22 -0.747 -1.140 1.986 0.0000 0.0000 0.0000
- 3ALA HB2 23 -0.799 -1.102 2.147 0.0000 0.0000 0.0000
- 3ALA HB3 24 -0.700 -0.986 2.046 0.0000 0.0000 0.0000
- 3ALA C 25 -0.971 -0.893 2.111 0.0000 0.0000 0.0000
- 3ALA O 26 -1.074 -0.915 2.173 0.0000 0.0000 0.0000
- 4ALA N 27 -0.879 -0.801 2.142 0.0000 0.0000 0.0000
- 4ALA H 28 -0.807 -0.799 2.071 0.0000 0.0000 0.0000
- 4ALA CA 29 -0.897 -0.689 2.231 0.0000 0.0000 0.0000
- 4ALA HA 30 -0.996 -0.685 2.278 0.0000 0.0000 0.0000
- 4ALA CB 31 -0.801 -0.712 2.347 0.0000 0.0000 0.0000
- 4ALA HB1 32 -0.787 -0.622 2.407 0.0000 0.0000 0.0000
- 4ALA HB2 33 -0.702 -0.744 2.314 0.0000 0.0000 0.0000
- 4ALA HB3 34 -0.843 -0.784 2.417 0.0000 0.0000 0.0000
- 4ALA C 35 -0.873 -0.553 2.166 0.0000 0.0000 0.0000
- 4ALA O 36 -0.926 -0.452 2.211 0.0000 0.0000 0.0000
- 5ALA N 37 -0.796 -0.546 2.057 0.0000 0.0000 0.0000
- 5ALA H 38 -0.792 -0.631 2.004 0.0000 0.0000 0.0000
- 5ALA CA 39 -0.722 -0.428 2.017 0.0000 0.0000 0.0000
- 5ALA HA 40 -0.658 -0.397 2.100 0.0000 0.0000 0.0000
- 5ALA CB 41 -0.617 -0.483 1.921 0.0000 0.0000 0.0000
- 5ALA HB1 42 -0.545 -0.538 1.981 0.0000 0.0000 0.0000
- 5ALA HB2 43 -0.563 -0.397 1.881 0.0000 0.0000 0.0000
- 5ALA HB3 44 -0.648 -0.546 1.838 0.0000 0.0000 0.0000
- 5ALA C 45 -0.814 -0.323 1.957 0.0000 0.0000 0.0000
- 5ALA O 46 -0.829 -0.316 1.835 0.0000 0.0000 0.0000
- 6ALA N 47 -0.886 -0.243 2.035 0.0000 0.0000 0.0000
- 6ALA H 48 -0.880 -0.255 2.135 0.0000 0.0000 0.0000
- 6ALA CA 49 -0.991 -0.149 1.999 0.0000 0.0000 0.0000
- 6ALA HA 50 -1.021 -0.097 2.090 0.0000 0.0000 0.0000
- 6ALA CB 51 -0.949 -0.044 1.898 0.0000 0.0000 0.0000
- 6ALA HB1 52 -0.921 -0.097 1.807 0.0000 0.0000 0.0000
- 6ALA HB2 53 -0.864 0.008 1.942 0.0000 0.0000 0.0000
- 6ALA HB3 54 -1.037 0.018 1.878 0.0000 0.0000 0.0000
- 6ALA C 55 -1.115 -0.223 1.950 0.0000 0.0000 0.0000
- 6ALA O 56 -1.227 -0.186 1.986 0.0000 0.0000 0.0000
- 7ALA N 57 -1.100 -0.333 1.877 0.0000 0.0000 0.0000
- 7ALA H 58 -1.006 -0.352 1.844 0.0000 0.0000 0.0000
- 7ALA CA 59 -1.206 -0.414 1.820 0.0000 0.0000 0.0000
- 7ALA HA 60 -1.304 -0.366 1.824 0.0000 0.0000 0.0000
- 7ALA CB 61 -1.161 -0.427 1.675 0.0000 0.0000 0.0000
- 7ALA HB1 62 -1.082 -0.498 1.652 0.0000 0.0000 0.0000
- 7ALA HB2 63 -1.130 -0.334 1.627 0.0000 0.0000 0.0000
- 7ALA HB3 64 -1.241 -0.461 1.608 0.0000 0.0000 0.0000
- 7ALA C 65 -1.213 -0.549 1.890 0.0000 0.0000 0.0000
- 7ALA O 66 -1.135 -0.635 1.851 0.0000 0.0000 0.0000
- 8ALA N 67 -1.297 -0.568 1.992 0.0000 0.0000 0.0000
- 8ALA H 68 -1.357 -0.489 2.011 0.0000 0.0000 0.0000
- 8ALA CA 69 -1.295 -0.671 2.093 0.0000 0.0000 0.0000
- 8ALA HA 70 -1.197 -0.719 2.096 0.0000 0.0000 0.0000
- 8ALA CB 71 -1.313 -0.603 2.229 0.0000 0.0000 0.0000
- 8ALA HB1 72 -1.417 -0.572 2.228 0.0000 0.0000 0.0000
- 8ALA HB2 73 -1.247 -0.517 2.230 0.0000 0.0000 0.0000
- 8ALA HB3 74 -1.282 -0.674 2.306 0.0000 0.0000 0.0000
- 8ALA C 75 -1.394 -0.779 2.054 0.0000 0.0000 0.0000
- 8ALA O 76 -1.506 -0.784 2.105 0.0000 0.0000 0.0000
- 9ALA N 77 -1.349 -0.861 1.958 0.0000 0.0000 0.0000
- 9ALA H 78 -1.259 -0.837 1.918 0.0000 0.0000 0.0000
- 9ALA CA 79 -1.399 -0.990 1.917 0.0000 0.0000 0.0000
- 9ALA HA 80 -1.414 -1.050 2.007 0.0000 0.0000 0.0000
- 9ALA CB 81 -1.536 -0.972 1.853 0.0000 0.0000 0.0000
- 9ALA HB1 82 -1.607 -0.937 1.928 0.0000 0.0000 0.0000
- 9ALA HB2 83 -1.574 -1.071 1.826 0.0000 0.0000 0.0000
- 9ALA HB3 84 -1.536 -0.908 1.765 0.0000 0.0000 0.0000
- 9ALA C 85 -1.290 -1.058 1.836 0.0000 0.0000 0.0000
- 9ALA O 86 -1.173 -1.019 1.831 0.0000 0.0000 0.0000
- 10ALA N 87 -1.334 -1.164 1.766 0.0000 0.0000 0.0000
- 10ALA H 88 -1.430 -1.187 1.748 0.0000 0.0000 0.0000
- 10ALA CA 89 -1.243 -1.246 1.689 0.0000 0.0000 0.0000
- 10ALA HA 90 -1.141 -1.208 1.695 0.0000 0.0000 0.0000
- 10ALA CB 91 -1.240 -1.384 1.754 0.0000 0.0000 0.0000
- 10ALA HB1 92 -1.186 -1.396 1.848 0.0000 0.0000 0.0000
- 10ALA HB2 93 -1.191 -1.452 1.686 0.0000 0.0000 0.0000
- 10ALA HB3 94 -1.339 -1.427 1.770 0.0000 0.0000 0.0000
- 10ALA C 95 -1.286 -1.247 1.543 0.0000 0.0000 0.0000
- 10ALA O 96 -1.394 -1.297 1.514 0.0000 0.0000 0.0000
- 11ALA N 97 -1.195 -1.200 1.458 0.0000 0.0000 0.0000
- 11ALA H 98 -1.120 -1.143 1.496 0.0000 0.0000 0.0000
- 11ALA CA 99 -1.194 -1.228 1.316 0.0000 0.0000 0.0000
- 11ALA HA 100 -1.223 -1.333 1.306 0.0000 0.0000 0.0000
- 11ALA CB 101 -1.290 -1.135 1.242 0.0000 0.0000 0.0000
- 11ALA HB1 102 -1.392 -1.166 1.263 0.0000 0.0000 0.0000
- 11ALA HB2 103 -1.264 -1.132 1.136 0.0000 0.0000 0.0000
- 11ALA HB3 104 -1.280 -1.032 1.275 0.0000 0.0000 0.0000
- 11ALA C 105 -1.049 -1.215 1.270 0.0000 0.0000 0.0000
- 11ALA O 106 -0.997 -1.318 1.228 0.0000 0.0000 0.0000
- 12ALA N 107 -0.994 -1.093 1.267 0.0000 0.0000 0.0000
- 12ALA H 108 -1.051 -1.026 1.316 0.0000 0.0000 0.0000
- 12ALA CA 109 -0.856 -1.063 1.235 0.0000 0.0000 0.0000
- 12ALA HA 110 -0.833 -1.082 1.130 0.0000 0.0000 0.0000
- 12ALA CB 111 -0.825 -0.915 1.250 0.0000 0.0000 0.0000
- 12ALA HB1 112 -0.818 -0.886 1.354 0.0000 0.0000 0.0000
- 12ALA HB2 113 -0.895 -0.846 1.201 0.0000 0.0000 0.0000
- 12ALA HB3 114 -0.732 -0.879 1.205 0.0000 0.0000 0.0000
- 12ALA C 115 -0.756 -1.136 1.325 0.0000 0.0000 0.0000
- 12ALA O 116 -0.652 -1.180 1.278 0.0000 0.0000 0.0000
- 13ALA N 117 -0.791 -1.146 1.454 0.0000 0.0000 0.0000
- 13ALA H 118 -0.879 -1.106 1.484 0.0000 0.0000 0.0000
- 13ALA CA 119 -0.705 -1.188 1.563 0.0000 0.0000 0.0000
- 13ALA HA 120 -0.756 -1.155 1.654 0.0000 0.0000 0.0000
- 13ALA CB 121 -0.709 -1.341 1.567 0.0000 0.0000 0.0000
- 13ALA HB1 122 -0.690 -1.383 1.469 0.0000 0.0000 0.0000
- 13ALA HB2 123 -0.800 -1.376 1.615 0.0000 0.0000 0.0000
- 13ALA HB3 124 -0.628 -1.370 1.635 0.0000 0.0000 0.0000
- 13ALA C 125 -0.572 -1.116 1.551 0.0000 0.0000 0.0000
- 13ALA O 126 -0.563 -0.994 1.561 0.0000 0.0000 0.0000
- 14NME N 127 -0.463 -1.194 1.540 0.0000 0.0000 0.0000
- 14NME H 128 -0.486 -1.291 1.526 0.0000 0.0000 0.0000
- 14NME CH3 129 -0.331 -1.137 1.531 0.0000 0.0000 0.0000
- 14NME HH31 130 -0.296 -1.121 1.429 0.0000 0.0000 0.0000
- 14NME HH32 131 -0.263 -1.215 1.564 0.0000 0.0000 0.0000
- 14NME HH33 132 -0.327 -1.051 1.598 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -1.224 -0.701 1.570
+ 1ACE CH3 2 -1.211 -0.800 1.526
+ 1ACE HH32 3 -1.288 -0.872 1.553
+ 1ACE HH33 4 -1.210 -0.786 1.418
+ 1ACE C 5 -1.076 -0.857 1.569
+ 1ACE O 6 -1.036 -0.960 1.517
+ 2ALA N 7 -0.996 -0.794 1.656
+ 2ALA H 8 -1.048 -0.715 1.692
+ 2ALA CA 9 -0.855 -0.814 1.681
+ 2ALA HA 10 -0.830 -0.900 1.619
+ 2ALA CB 11 -0.773 -0.695 1.632
+ 2ALA HB1 12 -0.801 -0.612 1.697
+ 2ALA HB2 13 -0.803 -0.670 1.531
+ 2ALA HB3 14 -0.667 -0.720 1.629
+ 2ALA C 15 -0.839 -0.850 1.827
+ 2ALA O 16 -0.761 -0.789 1.900
+ 3ALA N 17 -0.908 -0.956 1.871
+ 3ALA H 18 -0.984 -0.997 1.819
+ 3ALA CA 19 -0.916 -0.995 2.011
+ 3ALA HA 20 -0.993 -1.072 2.017
+ 3ALA CB 21 -0.782 -1.058 2.049
+ 3ALA HB1 22 -0.747 -1.140 1.986
+ 3ALA HB2 23 -0.799 -1.102 2.147
+ 3ALA HB3 24 -0.700 -0.986 2.046
+ 3ALA C 25 -0.971 -0.893 2.111
+ 3ALA O 26 -1.074 -0.915 2.173
+ 4ALA N 27 -0.879 -0.801 2.142
+ 4ALA H 28 -0.807 -0.799 2.071
+ 4ALA CA 29 -0.897 -0.689 2.231
+ 4ALA HA 30 -0.996 -0.685 2.278
+ 4ALA CB 31 -0.801 -0.712 2.347
+ 4ALA HB1 32 -0.787 -0.622 2.407
+ 4ALA HB2 33 -0.702 -0.744 2.314
+ 4ALA HB3 34 -0.843 -0.784 2.417
+ 4ALA C 35 -0.873 -0.553 2.166
+ 4ALA O 36 -0.926 -0.452 2.211
+ 5ALA N 37 -0.796 -0.546 2.057
+ 5ALA H 38 -0.792 -0.631 2.004
+ 5ALA CA 39 -0.722 -0.428 2.017
+ 5ALA HA 40 -0.658 -0.397 2.100
+ 5ALA CB 41 -0.617 -0.483 1.921
+ 5ALA HB1 42 -0.545 -0.538 1.981
+ 5ALA HB2 43 -0.563 -0.397 1.881
+ 5ALA HB3 44 -0.648 -0.546 1.838
+ 5ALA C 45 -0.814 -0.323 1.957
+ 5ALA O 46 -0.829 -0.316 1.835
+ 6ALA N 47 -0.886 -0.243 2.035
+ 6ALA H 48 -0.880 -0.255 2.135
+ 6ALA CA 49 -0.991 -0.149 1.999
+ 6ALA HA 50 -1.021 -0.097 2.090
+ 6ALA CB 51 -0.949 -0.044 1.898
+ 6ALA HB1 52 -0.921 -0.097 1.807
+ 6ALA HB2 53 -0.864 0.008 1.942
+ 6ALA HB3 54 -1.037 0.018 1.878
+ 6ALA C 55 -1.115 -0.223 1.950
+ 6ALA O 56 -1.227 -0.186 1.986
+ 7ALA N 57 -1.100 -0.333 1.877
+ 7ALA H 58 -1.006 -0.352 1.844
+ 7ALA CA 59 -1.206 -0.414 1.820
+ 7ALA HA 60 -1.304 -0.366 1.824
+ 7ALA CB 61 -1.161 -0.427 1.675
+ 7ALA HB1 62 -1.082 -0.498 1.652
+ 7ALA HB2 63 -1.130 -0.334 1.627
+ 7ALA HB3 64 -1.241 -0.461 1.608
+ 7ALA C 65 -1.213 -0.549 1.890
+ 7ALA O 66 -1.135 -0.635 1.851
+ 8ALA N 67 -1.297 -0.568 1.992
+ 8ALA H 68 -1.357 -0.489 2.011
+ 8ALA CA 69 -1.295 -0.671 2.093
+ 8ALA HA 70 -1.197 -0.719 2.096
+ 8ALA CB 71 -1.313 -0.603 2.229
+ 8ALA HB1 72 -1.417 -0.572 2.228
+ 8ALA HB2 73 -1.247 -0.517 2.230
+ 8ALA HB3 74 -1.282 -0.674 2.306
+ 8ALA C 75 -1.394 -0.779 2.054
+ 8ALA O 76 -1.506 -0.784 2.105
+ 9ALA N 77 -1.349 -0.861 1.958
+ 9ALA H 78 -1.259 -0.837 1.918
+ 9ALA CA 79 -1.399 -0.990 1.917
+ 9ALA HA 80 -1.414 -1.050 2.007
+ 9ALA CB 81 -1.536 -0.972 1.853
+ 9ALA HB1 82 -1.607 -0.937 1.928
+ 9ALA HB2 83 -1.574 -1.071 1.826
+ 9ALA HB3 84 -1.536 -0.908 1.765
+ 9ALA C 85 -1.290 -1.058 1.836
+ 9ALA O 86 -1.173 -1.019 1.831
+ 10ALA N 87 -1.334 -1.164 1.766
+ 10ALA H 88 -1.430 -1.187 1.748
+ 10ALA CA 89 -1.243 -1.246 1.689
+ 10ALA HA 90 -1.141 -1.208 1.695
+ 10ALA CB 91 -1.240 -1.384 1.754
+ 10ALA HB1 92 -1.186 -1.396 1.848
+ 10ALA HB2 93 -1.191 -1.452 1.686
+ 10ALA HB3 94 -1.339 -1.427 1.770
+ 10ALA C 95 -1.286 -1.247 1.543
+ 10ALA O 96 -1.394 -1.297 1.514
+ 11ALA N 97 -1.195 -1.200 1.458
+ 11ALA H 98 -1.120 -1.143 1.496
+ 11ALA CA 99 -1.194 -1.228 1.316
+ 11ALA HA 100 -1.223 -1.333 1.306
+ 11ALA CB 101 -1.290 -1.135 1.242
+ 11ALA HB1 102 -1.392 -1.166 1.263
+ 11ALA HB2 103 -1.264 -1.132 1.136
+ 11ALA HB3 104 -1.280 -1.032 1.275
+ 11ALA C 105 -1.049 -1.215 1.270
+ 11ALA O 106 -0.997 -1.318 1.228
+ 12ALA N 107 -0.994 -1.093 1.267
+ 12ALA H 108 -1.051 -1.026 1.316
+ 12ALA CA 109 -0.856 -1.063 1.235
+ 12ALA HA 110 -0.833 -1.082 1.130
+ 12ALA CB 111 -0.825 -0.915 1.250
+ 12ALA HB1 112 -0.818 -0.886 1.354
+ 12ALA HB2 113 -0.895 -0.846 1.201
+ 12ALA HB3 114 -0.732 -0.879 1.205
+ 12ALA C 115 -0.756 -1.136 1.325
+ 12ALA O 116 -0.652 -1.180 1.278
+ 13ALA N 117 -0.791 -1.146 1.454
+ 13ALA H 118 -0.879 -1.106 1.484
+ 13ALA CA 119 -0.705 -1.188 1.563
+ 13ALA HA 120 -0.756 -1.155 1.654
+ 13ALA CB 121 -0.709 -1.341 1.567
+ 13ALA HB1 122 -0.690 -1.383 1.469
+ 13ALA HB2 123 -0.800 -1.376 1.615
+ 13ALA HB3 124 -0.628 -1.370 1.635
+ 13ALA C 125 -0.572 -1.116 1.551
+ 13ALA O 126 -0.563 -0.994 1.561
+ 14NME N 127 -0.463 -1.194 1.540
+ 14NME H 128 -0.486 -1.291 1.526
+ 14NME CH3 129 -0.331 -1.137 1.531
+ 14NME HH31 130 -0.296 -1.121 1.429
+ 14NME HH32 131 -0.263 -1.215 1.564
+ 14NME HH33 132 -0.327 -1.051 1.598
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.350000
132
- 1ACE HH31 1 -0.326 -0.921 2.604 0.0000 0.0000 0.0000
- 1ACE CH3 2 -0.404 -0.848 2.581 0.0000 0.0000 0.0000
- 1ACE HH32 3 -0.482 -0.848 2.657 0.0000 0.0000 0.0000
- 1ACE HH33 4 -0.367 -0.745 2.579 0.0000 0.0000 0.0000
- 1ACE C 5 -0.470 -0.880 2.448 0.0000 0.0000 0.0000
- 1ACE O 6 -0.409 -0.934 2.357 0.0000 0.0000 0.0000
- 2ALA N 7 -0.603 -0.866 2.443 0.0000 0.0000 0.0000
- 2ALA H 8 -0.638 -0.830 2.530 0.0000 0.0000 0.0000
- 2ALA CA 9 -0.679 -0.868 2.319 0.0000 0.0000 0.0000
- 2ALA HA 10 -0.651 -0.951 2.254 0.0000 0.0000 0.0000
- 2ALA CB 11 -0.827 -0.891 2.347 0.0000 0.0000 0.0000
- 2ALA HB1 12 -0.881 -0.842 2.267 0.0000 0.0000 0.0000
- 2ALA HB2 13 -0.862 -0.854 2.444 0.0000 0.0000 0.0000
- 2ALA HB3 14 -0.851 -0.997 2.340 0.0000 0.0000 0.0000
- 2ALA C 15 -0.653 -0.736 2.248 0.0000 0.0000 0.0000
- 2ALA O 16 -0.668 -0.629 2.307 0.0000 0.0000 0.0000
- 3ALA N 17 -0.640 -0.740 2.115 0.0000 0.0000 0.0000
- 3ALA H 18 -0.626 -0.833 2.078 0.0000 0.0000 0.0000
- 3ALA CA 19 -0.637 -0.630 2.022 0.0000 0.0000 0.0000
- 3ALA HA 20 -0.575 -0.554 2.070 0.0000 0.0000 0.0000
- 3ALA CB 21 -0.564 -0.672 1.895 0.0000 0.0000 0.0000
- 3ALA HB1 22 -0.596 -0.770 1.859 0.0000 0.0000 0.0000
- 3ALA HB2 23 -0.458 -0.670 1.922 0.0000 0.0000 0.0000
- 3ALA HB3 24 -0.572 -0.601 1.813 0.0000 0.0000 0.0000
- 3ALA C 25 -0.769 -0.559 1.993 0.0000 0.0000 0.0000
- 3ALA O 26 -0.825 -0.563 1.884 0.0000 0.0000 0.0000
- 4ALA N 27 -0.824 -0.498 2.098 0.0000 0.0000 0.0000
- 4ALA H 28 -0.785 -0.529 2.187 0.0000 0.0000 0.0000
- 4ALA CA 29 -0.931 -0.400 2.094 0.0000 0.0000 0.0000
- 4ALA HA 30 -0.967 -0.408 2.197 0.0000 0.0000 0.0000
- 4ALA CB 31 -0.867 -0.263 2.078 0.0000 0.0000 0.0000
- 4ALA HB1 32 -0.818 -0.265 1.981 0.0000 0.0000 0.0000
- 4ALA HB2 33 -0.790 -0.248 2.154 0.0000 0.0000 0.0000
- 4ALA HB3 34 -0.935 -0.179 2.092 0.0000 0.0000 0.0000
- 4ALA C 35 -1.051 -0.440 2.010 0.0000 0.0000 0.0000
- 4ALA O 36 -1.116 -0.543 2.026 0.0000 0.0000 0.0000
- 5ALA N 37 -1.085 -0.351 1.917 0.0000 0.0000 0.0000
- 5ALA H 38 -1.047 -0.257 1.926 0.0000 0.0000 0.0000
- 5ALA CA 39 -1.200 -0.367 1.831 0.0000 0.0000 0.0000
- 5ALA HA 40 -1.292 -0.372 1.889 0.0000 0.0000 0.0000
- 5ALA CB 41 -1.207 -0.235 1.755 0.0000 0.0000 0.0000
- 5ALA HB1 42 -1.220 -0.163 1.835 0.0000 0.0000 0.0000
- 5ALA HB2 43 -1.292 -0.238 1.687 0.0000 0.0000 0.0000
- 5ALA HB3 44 -1.115 -0.214 1.700 0.0000 0.0000 0.0000
- 5ALA C 45 -1.190 -0.488 1.738 0.0000 0.0000 0.0000
- 5ALA O 46 -1.286 -0.562 1.718 0.0000 0.0000 0.0000
- 6ALA N 47 -1.075 -0.497 1.671 0.0000 0.0000 0.0000
- 6ALA H 48 -1.011 -0.426 1.704 0.0000 0.0000 0.0000
- 6ALA CA 49 -1.032 -0.612 1.594 0.0000 0.0000 0.0000
- 6ALA HA 50 -1.092 -0.610 1.503 0.0000 0.0000 0.0000
- 6ALA CB 51 -0.885 -0.593 1.559 0.0000 0.0000 0.0000
- 6ALA HB1 52 -0.860 -0.487 1.558 0.0000 0.0000 0.0000
- 6ALA HB2 53 -0.876 -0.633 1.458 0.0000 0.0000 0.0000
- 6ALA HB3 54 -0.819 -0.652 1.622 0.0000 0.0000 0.0000
- 6ALA C 55 -1.047 -0.749 1.658 0.0000 0.0000 0.0000
- 6ALA O 56 -1.086 -0.845 1.591 0.0000 0.0000 0.0000
- 7ALA N 57 -1.010 -0.753 1.786 0.0000 0.0000 0.0000
- 7ALA H 58 -0.966 -0.670 1.822 0.0000 0.0000 0.0000
- 7ALA CA 59 -1.036 -0.871 1.867 0.0000 0.0000 0.0000
- 7ALA HA 60 -1.011 -0.963 1.814 0.0000 0.0000 0.0000
- 7ALA CB 61 -0.938 -0.863 1.983 0.0000 0.0000 0.0000
- 7ALA HB1 62 -0.838 -0.858 1.940 0.0000 0.0000 0.0000
- 7ALA HB2 63 -0.940 -0.946 2.053 0.0000 0.0000 0.0000
- 7ALA HB3 64 -0.957 -0.770 2.037 0.0000 0.0000 0.0000
- 7ALA C 65 -1.181 -0.888 1.912 0.0000 0.0000 0.0000
- 7ALA O 66 -1.234 -0.998 1.911 0.0000 0.0000 0.0000
- 8ALA N 67 -1.240 -0.780 1.963 0.0000 0.0000 0.0000
- 8ALA H 68 -1.194 -0.690 1.964 0.0000 0.0000 0.0000
- 8ALA CA 69 -1.380 -0.784 2.000 0.0000 0.0000 0.0000
- 8ALA HA 70 -1.387 -0.862 2.075 0.0000 0.0000 0.0000
- 8ALA CB 71 -1.413 -0.651 2.067 0.0000 0.0000 0.0000
- 8ALA HB1 72 -1.343 -0.624 2.147 0.0000 0.0000 0.0000
- 8ALA HB2 73 -1.511 -0.651 2.116 0.0000 0.0000 0.0000
- 8ALA HB3 74 -1.412 -0.572 1.992 0.0000 0.0000 0.0000
- 8ALA C 75 -1.473 -0.825 1.886 0.0000 0.0000 0.0000
- 8ALA O 76 -1.577 -0.882 1.914 0.0000 0.0000 0.0000
- 9ALA N 77 -1.437 -0.792 1.762 0.0000 0.0000 0.0000
- 9ALA H 78 -1.370 -0.718 1.749 0.0000 0.0000 0.0000
- 9ALA CA 79 -1.513 -0.839 1.648 0.0000 0.0000 0.0000
- 9ALA HA 80 -1.616 -0.853 1.681 0.0000 0.0000 0.0000
- 9ALA CB 81 -1.517 -0.721 1.552 0.0000 0.0000 0.0000
- 9ALA HB1 82 -1.569 -0.646 1.612 0.0000 0.0000 0.0000
- 9ALA HB2 83 -1.573 -0.755 1.465 0.0000 0.0000 0.0000
- 9ALA HB3 84 -1.411 -0.704 1.530 0.0000 0.0000 0.0000
- 9ALA C 85 -1.453 -0.965 1.587 0.0000 0.0000 0.0000
- 9ALA O 86 -1.506 -1.026 1.494 0.0000 0.0000 0.0000
- 10ALA N 87 -1.339 -1.015 1.635 0.0000 0.0000 0.0000
- 10ALA H 88 -1.301 -0.983 1.723 0.0000 0.0000 0.0000
- 10ALA CA 89 -1.282 -1.141 1.592 0.0000 0.0000 0.0000
- 10ALA HA 90 -1.193 -1.143 1.655 0.0000 0.0000 0.0000
- 10ALA CB 91 -1.366 -1.258 1.641 0.0000 0.0000 0.0000
- 10ALA HB1 92 -1.454 -1.246 1.578 0.0000 0.0000 0.0000
- 10ALA HB2 93 -1.402 -1.248 1.744 0.0000 0.0000 0.0000
- 10ALA HB3 94 -1.313 -1.352 1.623 0.0000 0.0000 0.0000
- 10ALA C 95 -1.229 -1.154 1.450 0.0000 0.0000 0.0000
- 10ALA O 96 -1.240 -1.254 1.380 0.0000 0.0000 0.0000
- 11ALA N 97 -1.140 -1.059 1.420 0.0000 0.0000 0.0000
- 11ALA H 98 -1.131 -0.991 1.494 0.0000 0.0000 0.0000
- 11ALA CA 99 -1.053 -1.062 1.304 0.0000 0.0000 0.0000
- 11ALA HA 100 -1.091 -1.135 1.232 0.0000 0.0000 0.0000
- 11ALA CB 101 -1.050 -0.921 1.245 0.0000 0.0000 0.0000
- 11ALA HB1 102 -1.008 -0.932 1.145 0.0000 0.0000 0.0000
- 11ALA HB2 103 -0.986 -0.861 1.311 0.0000 0.0000 0.0000
- 11ALA HB3 104 -1.151 -0.886 1.226 0.0000 0.0000 0.0000
- 11ALA C 105 -0.911 -1.102 1.339 0.0000 0.0000 0.0000
- 11ALA O 106 -0.847 -1.180 1.269 0.0000 0.0000 0.0000
- 12ALA N 107 -0.855 -1.044 1.446 0.0000 0.0000 0.0000
- 12ALA H 108 -0.911 -0.977 1.497 0.0000 0.0000 0.0000
- 12ALA CA 109 -0.712 -1.052 1.469 0.0000 0.0000 0.0000
- 12ALA HA 110 -0.670 -1.144 1.428 0.0000 0.0000 0.0000
- 12ALA CB 111 -0.649 -0.931 1.402 0.0000 0.0000 0.0000
- 12ALA HB1 112 -0.541 -0.946 1.414 0.0000 0.0000 0.0000
- 12ALA HB2 113 -0.676 -0.836 1.448 0.0000 0.0000 0.0000
- 12ALA HB3 114 -0.679 -0.939 1.298 0.0000 0.0000 0.0000
- 12ALA C 115 -0.700 -1.049 1.621 0.0000 0.0000 0.0000
- 12ALA O 116 -0.692 -0.943 1.682 0.0000 0.0000 0.0000
- 13ALA N 117 -0.722 -1.163 1.688 0.0000 0.0000 0.0000
- 13ALA H 118 -0.725 -1.253 1.641 0.0000 0.0000 0.0000
- 13ALA CA 119 -0.732 -1.169 1.832 0.0000 0.0000 0.0000
- 13ALA HA 120 -0.830 -1.130 1.860 0.0000 0.0000 0.0000
- 13ALA CB 121 -0.735 -1.315 1.875 0.0000 0.0000 0.0000
- 13ALA HB1 122 -0.639 -1.364 1.857 0.0000 0.0000 0.0000
- 13ALA HB2 123 -0.826 -1.366 1.846 0.0000 0.0000 0.0000
- 13ALA HB3 124 -0.742 -1.320 1.984 0.0000 0.0000 0.0000
- 13ALA C 125 -0.631 -1.095 1.919 0.0000 0.0000 0.0000
- 13ALA O 126 -0.671 -1.037 2.019 0.0000 0.0000 0.0000
- 14NME N 127 -0.501 -1.107 1.889 0.0000 0.0000 0.0000
- 14NME H 128 -0.473 -1.155 1.805 0.0000 0.0000 0.0000
- 14NME CH3 129 -0.388 -1.051 1.961 0.0000 0.0000 0.0000
- 14NME HH31 130 -0.300 -1.105 1.927 0.0000 0.0000 0.0000
- 14NME HH32 131 -0.420 -1.061 2.064 0.0000 0.0000 0.0000
- 14NME HH33 132 -0.367 -0.946 1.937 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -0.326 -0.921 2.604
+ 1ACE CH3 2 -0.404 -0.848 2.581
+ 1ACE HH32 3 -0.482 -0.848 2.657
+ 1ACE HH33 4 -0.367 -0.745 2.579
+ 1ACE C 5 -0.470 -0.880 2.448
+ 1ACE O 6 -0.409 -0.934 2.357
+ 2ALA N 7 -0.603 -0.866 2.443
+ 2ALA H 8 -0.638 -0.830 2.530
+ 2ALA CA 9 -0.679 -0.868 2.319
+ 2ALA HA 10 -0.651 -0.951 2.254
+ 2ALA CB 11 -0.827 -0.891 2.347
+ 2ALA HB1 12 -0.881 -0.842 2.267
+ 2ALA HB2 13 -0.862 -0.854 2.444
+ 2ALA HB3 14 -0.851 -0.997 2.340
+ 2ALA C 15 -0.653 -0.736 2.248
+ 2ALA O 16 -0.668 -0.629 2.307
+ 3ALA N 17 -0.640 -0.740 2.115
+ 3ALA H 18 -0.626 -0.833 2.078
+ 3ALA CA 19 -0.637 -0.630 2.022
+ 3ALA HA 20 -0.575 -0.554 2.070
+ 3ALA CB 21 -0.564 -0.672 1.895
+ 3ALA HB1 22 -0.596 -0.770 1.859
+ 3ALA HB2 23 -0.458 -0.670 1.922
+ 3ALA HB3 24 -0.572 -0.601 1.813
+ 3ALA C 25 -0.769 -0.559 1.993
+ 3ALA O 26 -0.825 -0.563 1.884
+ 4ALA N 27 -0.824 -0.498 2.098
+ 4ALA H 28 -0.785 -0.529 2.187
+ 4ALA CA 29 -0.931 -0.400 2.094
+ 4ALA HA 30 -0.967 -0.408 2.197
+ 4ALA CB 31 -0.867 -0.263 2.078
+ 4ALA HB1 32 -0.818 -0.265 1.981
+ 4ALA HB2 33 -0.790 -0.248 2.154
+ 4ALA HB3 34 -0.935 -0.179 2.092
+ 4ALA C 35 -1.051 -0.440 2.010
+ 4ALA O 36 -1.116 -0.543 2.026
+ 5ALA N 37 -1.085 -0.351 1.917
+ 5ALA H 38 -1.047 -0.257 1.926
+ 5ALA CA 39 -1.200 -0.367 1.831
+ 5ALA HA 40 -1.292 -0.372 1.889
+ 5ALA CB 41 -1.207 -0.235 1.755
+ 5ALA HB1 42 -1.220 -0.163 1.835
+ 5ALA HB2 43 -1.292 -0.238 1.687
+ 5ALA HB3 44 -1.115 -0.214 1.700
+ 5ALA C 45 -1.190 -0.488 1.738
+ 5ALA O 46 -1.286 -0.562 1.718
+ 6ALA N 47 -1.075 -0.497 1.671
+ 6ALA H 48 -1.011 -0.426 1.704
+ 6ALA CA 49 -1.032 -0.612 1.594
+ 6ALA HA 50 -1.092 -0.610 1.503
+ 6ALA CB 51 -0.885 -0.593 1.559
+ 6ALA HB1 52 -0.860 -0.487 1.558
+ 6ALA HB2 53 -0.876 -0.633 1.458
+ 6ALA HB3 54 -0.819 -0.652 1.622
+ 6ALA C 55 -1.047 -0.749 1.658
+ 6ALA O 56 -1.086 -0.845 1.591
+ 7ALA N 57 -1.010 -0.753 1.786
+ 7ALA H 58 -0.966 -0.670 1.822
+ 7ALA CA 59 -1.036 -0.871 1.867
+ 7ALA HA 60 -1.011 -0.963 1.814
+ 7ALA CB 61 -0.938 -0.863 1.983
+ 7ALA HB1 62 -0.838 -0.858 1.940
+ 7ALA HB2 63 -0.940 -0.946 2.053
+ 7ALA HB3 64 -0.957 -0.770 2.037
+ 7ALA C 65 -1.181 -0.888 1.912
+ 7ALA O 66 -1.234 -0.998 1.911
+ 8ALA N 67 -1.240 -0.780 1.963
+ 8ALA H 68 -1.194 -0.690 1.964
+ 8ALA CA 69 -1.380 -0.784 2.000
+ 8ALA HA 70 -1.387 -0.862 2.075
+ 8ALA CB 71 -1.413 -0.651 2.067
+ 8ALA HB1 72 -1.343 -0.624 2.147
+ 8ALA HB2 73 -1.511 -0.651 2.116
+ 8ALA HB3 74 -1.412 -0.572 1.992
+ 8ALA C 75 -1.473 -0.825 1.886
+ 8ALA O 76 -1.577 -0.882 1.914
+ 9ALA N 77 -1.437 -0.792 1.762
+ 9ALA H 78 -1.370 -0.718 1.749
+ 9ALA CA 79 -1.513 -0.839 1.648
+ 9ALA HA 80 -1.616 -0.853 1.681
+ 9ALA CB 81 -1.517 -0.721 1.552
+ 9ALA HB1 82 -1.569 -0.646 1.612
+ 9ALA HB2 83 -1.573 -0.755 1.465
+ 9ALA HB3 84 -1.411 -0.704 1.530
+ 9ALA C 85 -1.453 -0.965 1.587
+ 9ALA O 86 -1.506 -1.026 1.494
+ 10ALA N 87 -1.339 -1.015 1.635
+ 10ALA H 88 -1.301 -0.983 1.723
+ 10ALA CA 89 -1.282 -1.141 1.592
+ 10ALA HA 90 -1.193 -1.143 1.655
+ 10ALA CB 91 -1.366 -1.258 1.641
+ 10ALA HB1 92 -1.454 -1.246 1.578
+ 10ALA HB2 93 -1.402 -1.248 1.744
+ 10ALA HB3 94 -1.313 -1.352 1.623
+ 10ALA C 95 -1.229 -1.154 1.450
+ 10ALA O 96 -1.240 -1.254 1.380
+ 11ALA N 97 -1.140 -1.059 1.420
+ 11ALA H 98 -1.131 -0.991 1.494
+ 11ALA CA 99 -1.053 -1.062 1.304
+ 11ALA HA 100 -1.091 -1.135 1.232
+ 11ALA CB 101 -1.050 -0.921 1.245
+ 11ALA HB1 102 -1.008 -0.932 1.145
+ 11ALA HB2 103 -0.986 -0.861 1.311
+ 11ALA HB3 104 -1.151 -0.886 1.226
+ 11ALA C 105 -0.911 -1.102 1.339
+ 11ALA O 106 -0.847 -1.180 1.269
+ 12ALA N 107 -0.855 -1.044 1.446
+ 12ALA H 108 -0.911 -0.977 1.497
+ 12ALA CA 109 -0.712 -1.052 1.469
+ 12ALA HA 110 -0.670 -1.144 1.428
+ 12ALA CB 111 -0.649 -0.931 1.402
+ 12ALA HB1 112 -0.541 -0.946 1.414
+ 12ALA HB2 113 -0.676 -0.836 1.448
+ 12ALA HB3 114 -0.679 -0.939 1.298
+ 12ALA C 115 -0.700 -1.049 1.621
+ 12ALA O 116 -0.692 -0.943 1.682
+ 13ALA N 117 -0.722 -1.163 1.688
+ 13ALA H 118 -0.725 -1.253 1.641
+ 13ALA CA 119 -0.732 -1.169 1.832
+ 13ALA HA 120 -0.830 -1.130 1.860
+ 13ALA CB 121 -0.735 -1.315 1.875
+ 13ALA HB1 122 -0.639 -1.364 1.857
+ 13ALA HB2 123 -0.826 -1.366 1.846
+ 13ALA HB3 124 -0.742 -1.320 1.984
+ 13ALA C 125 -0.631 -1.095 1.919
+ 13ALA O 126 -0.671 -1.037 2.019
+ 14NME N 127 -0.501 -1.107 1.889
+ 14NME H 128 -0.473 -1.155 1.805
+ 14NME CH3 129 -0.388 -1.051 1.961
+ 14NME HH31 130 -0.300 -1.105 1.927
+ 14NME HH32 131 -0.420 -1.061 2.064
+ 14NME HH33 132 -0.367 -0.946 1.937
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.400000
132
- 1ACE HH31 1 -0.264 -1.191 1.743 0.0000 0.0000 0.0000
- 1ACE CH3 2 -0.363 -1.148 1.752 0.0000 0.0000 0.0000
- 1ACE HH32 3 -0.355 -1.057 1.693 0.0000 0.0000 0.0000
- 1ACE HH33 4 -0.426 -1.225 1.706 0.0000 0.0000 0.0000
- 1ACE C 5 -0.420 -1.129 1.892 0.0000 0.0000 0.0000
- 1ACE O 6 -0.459 -1.224 1.960 0.0000 0.0000 0.0000
- 2ALA N 7 -0.423 -1.003 1.934 0.0000 0.0000 0.0000
- 2ALA H 8 -0.418 -0.933 1.861 0.0000 0.0000 0.0000
- 2ALA CA 9 -0.438 -0.947 2.067 0.0000 0.0000 0.0000
- 2ALA HA 10 -0.469 -1.016 2.145 0.0000 0.0000 0.0000
- 2ALA CB 11 -0.299 -0.894 2.101 0.0000 0.0000 0.0000
- 2ALA HB1 12 -0.265 -0.824 2.025 0.0000 0.0000 0.0000
- 2ALA HB2 13 -0.226 -0.975 2.096 0.0000 0.0000 0.0000
- 2ALA HB3 14 -0.297 -0.838 2.194 0.0000 0.0000 0.0000
- 2ALA C 15 -0.540 -0.834 2.075 0.0000 0.0000 0.0000
- 2ALA O 16 -0.647 -0.851 2.133 0.0000 0.0000 0.0000
- 3ALA N 17 -0.510 -0.720 2.013 0.0000 0.0000 0.0000
- 3ALA H 18 -0.421 -0.712 1.964 0.0000 0.0000 0.0000
- 3ALA CA 19 -0.598 -0.605 2.008 0.0000 0.0000 0.0000
- 3ALA HA 20 -0.642 -0.600 2.108 0.0000 0.0000 0.0000
- 3ALA CB 21 -0.526 -0.476 1.972 0.0000 0.0000 0.0000
- 3ALA HB1 22 -0.597 -0.393 1.972 0.0000 0.0000 0.0000
- 3ALA HB2 23 -0.489 -0.493 1.871 0.0000 0.0000 0.0000
- 3ALA HB3 24 -0.439 -0.456 2.033 0.0000 0.0000 0.0000
- 3ALA C 25 -0.712 -0.632 1.911 0.0000 0.0000 0.0000
- 3ALA O 26 -0.706 -0.594 1.794 0.0000 0.0000 0.0000
- 4ALA N 27 -0.819 -0.682 1.974 0.0000 0.0000 0.0000
- 4ALA H 28 -0.817 -0.723 2.067 0.0000 0.0000 0.0000
- 4ALA CA 29 -0.952 -0.675 1.918 0.0000 0.0000 0.0000
- 4ALA HA 30 -0.962 -0.729 1.824 0.0000 0.0000 0.0000
- 4ALA CB 31 -1.050 -0.735 2.018 0.0000 0.0000 0.0000
- 4ALA HB1 32 -1.153 -0.734 1.982 0.0000 0.0000 0.0000
- 4ALA HB2 33 -1.065 -0.695 2.118 0.0000 0.0000 0.0000
- 4ALA HB3 34 -1.028 -0.842 2.023 0.0000 0.0000 0.0000
- 4ALA C 35 -0.996 -0.532 1.890 0.0000 0.0000 0.0000
- 4ALA O 36 -1.011 -0.446 1.977 0.0000 0.0000 0.0000
- 5ALA N 37 -1.007 -0.505 1.760 0.0000 0.0000 0.0000
- 5ALA H 38 -0.963 -0.562 1.689 0.0000 0.0000 0.0000
- 5ALA CA 39 -1.081 -0.392 1.708 0.0000 0.0000 0.0000
- 5ALA HA 40 -1.049 -0.311 1.772 0.0000 0.0000 0.0000
- 5ALA CB 41 -1.061 -0.357 1.561 0.0000 0.0000 0.0000
- 5ALA HB1 42 -1.068 -0.448 1.502 0.0000 0.0000 0.0000
- 5ALA HB2 43 -0.960 -0.321 1.541 0.0000 0.0000 0.0000
- 5ALA HB3 44 -1.118 -0.271 1.526 0.0000 0.0000 0.0000
- 5ALA C 45 -1.231 -0.405 1.734 0.0000 0.0000 0.0000
- 5ALA O 46 -1.309 -0.441 1.646 0.0000 0.0000 0.0000
- 6ALA N 47 -1.271 -0.394 1.861 0.0000 0.0000 0.0000
- 6ALA H 48 -1.196 -0.374 1.925 0.0000 0.0000 0.0000
- 6ALA CA 49 -1.399 -0.433 1.917 0.0000 0.0000 0.0000
- 6ALA HA 50 -1.384 -0.409 2.022 0.0000 0.0000 0.0000
- 6ALA CB 51 -1.509 -0.340 1.865 0.0000 0.0000 0.0000
- 6ALA HB1 52 -1.534 -0.364 1.762 0.0000 0.0000 0.0000
- 6ALA HB2 53 -1.484 -0.234 1.868 0.0000 0.0000 0.0000
- 6ALA HB3 54 -1.599 -0.347 1.927 0.0000 0.0000 0.0000
- 6ALA C 55 -1.444 -0.577 1.903 0.0000 0.0000 0.0000
- 6ALA O 56 -1.450 -0.648 2.004 0.0000 0.0000 0.0000
- 7ALA N 57 -1.472 -0.619 1.779 0.0000 0.0000 0.0000
- 7ALA H 58 -1.463 -0.537 1.720 0.0000 0.0000 0.0000
- 7ALA CA 59 -1.507 -0.751 1.733 0.0000 0.0000 0.0000
- 7ALA HA 60 -1.615 -0.762 1.744 0.0000 0.0000 0.0000
- 7ALA CB 61 -1.476 -0.741 1.584 0.0000 0.0000 0.0000
- 7ALA HB1 62 -1.494 -0.825 1.517 0.0000 0.0000 0.0000
- 7ALA HB2 63 -1.375 -0.710 1.558 0.0000 0.0000 0.0000
- 7ALA HB3 64 -1.546 -0.665 1.550 0.0000 0.0000 0.0000
- 7ALA C 65 -1.450 -0.867 1.814 0.0000 0.0000 0.0000
- 7ALA O 66 -1.347 -0.920 1.774 0.0000 0.0000 0.0000
- 8ALA N 67 -1.518 -0.918 1.917 0.0000 0.0000 0.0000
- 8ALA H 68 -1.599 -0.864 1.943 0.0000 0.0000 0.0000
- 8ALA CA 69 -1.465 -0.998 2.026 0.0000 0.0000 0.0000
- 8ALA HA 70 -1.397 -0.928 2.073 0.0000 0.0000 0.0000
- 8ALA CB 71 -1.577 -1.034 2.123 0.0000 0.0000 0.0000
- 8ALA HB1 72 -1.602 -0.940 2.173 0.0000 0.0000 0.0000
- 8ALA HB2 73 -1.543 -1.094 2.207 0.0000 0.0000 0.0000
- 8ALA HB3 74 -1.659 -1.081 2.070 0.0000 0.0000 0.0000
- 8ALA C 75 -1.393 -1.125 1.982 0.0000 0.0000 0.0000
- 8ALA O 76 -1.460 -1.219 1.938 0.0000 0.0000 0.0000
- 9ALA N 77 -1.260 -1.129 1.988 0.0000 0.0000 0.0000
- 9ALA H 78 -1.210 -1.047 2.021 0.0000 0.0000 0.0000
- 9ALA CA 79 -1.170 -1.219 1.919 0.0000 0.0000 0.0000
- 9ALA HA 80 -1.073 -1.182 1.952 0.0000 0.0000 0.0000
- 9ALA CB 81 -1.182 -1.357 1.984 0.0000 0.0000 0.0000
- 9ALA HB1 82 -1.102 -1.421 1.945 0.0000 0.0000 0.0000
- 9ALA HB2 83 -1.281 -1.403 1.977 0.0000 0.0000 0.0000
- 9ALA HB3 84 -1.173 -1.361 2.092 0.0000 0.0000 0.0000
- 9ALA C 85 -1.171 -1.224 1.767 0.0000 0.0000 0.0000
- 9ALA O 86 -1.065 -1.224 1.704 0.0000 0.0000 0.0000
- 10ALA N 87 -1.285 -1.196 1.704 0.0000 0.0000 0.0000
- 10ALA H 88 -1.366 -1.201 1.764 0.0000 0.0000 0.0000
- 10ALA CA 89 -1.303 -1.179 1.561 0.0000 0.0000 0.0000
- 10ALA HA 90 -1.288 -1.275 1.511 0.0000 0.0000 0.0000
- 10ALA CB 91 -1.447 -1.135 1.536 0.0000 0.0000 0.0000
- 10ALA HB1 92 -1.447 -1.086 1.438 0.0000 0.0000 0.0000
- 10ALA HB2 93 -1.475 -1.067 1.616 0.0000 0.0000 0.0000
- 10ALA HB3 94 -1.520 -1.216 1.528 0.0000 0.0000 0.0000
- 10ALA C 95 -1.208 -1.089 1.483 0.0000 0.0000 0.0000
- 10ALA O 96 -1.179 -1.108 1.365 0.0000 0.0000 0.0000
- 11ALA N 97 -1.153 -0.986 1.548 0.0000 0.0000 0.0000
- 11ALA H 98 -1.171 -0.973 1.646 0.0000 0.0000 0.0000
- 11ALA CA 99 -1.054 -0.899 1.488 0.0000 0.0000 0.0000
- 11ALA HA 100 -1.004 -0.959 1.411 0.0000 0.0000 0.0000
- 11ALA CB 101 -1.121 -0.778 1.423 0.0000 0.0000 0.0000
- 11ALA HB1 102 -1.216 -0.812 1.383 0.0000 0.0000 0.0000
- 11ALA HB2 103 -1.061 -0.728 1.347 0.0000 0.0000 0.0000
- 11ALA HB3 104 -1.131 -0.699 1.496 0.0000 0.0000 0.0000
- 11ALA C 105 -0.939 -0.871 1.583 0.0000 0.0000 0.0000
- 11ALA O 106 -0.890 -0.758 1.581 0.0000 0.0000 0.0000
- 12ALA N 107 -0.894 -0.966 1.666 0.0000 0.0000 0.0000
- 12ALA H 108 -0.936 -1.056 1.650 0.0000 0.0000 0.0000
- 12ALA CA 109 -0.769 -0.970 1.738 0.0000 0.0000 0.0000
- 12ALA HA 110 -0.775 -0.894 1.816 0.0000 0.0000 0.0000
- 12ALA CB 111 -0.754 -1.103 1.812 0.0000 0.0000 0.0000
- 12ALA HB1 112 -0.851 -1.136 1.847 0.0000 0.0000 0.0000
- 12ALA HB2 113 -0.694 -1.076 1.899 0.0000 0.0000 0.0000
- 12ALA HB3 114 -0.701 -1.177 1.751 0.0000 0.0000 0.0000
- 12ALA C 115 -0.650 -0.940 1.648 0.0000 0.0000 0.0000
- 12ALA O 116 -0.608 -1.035 1.582 0.0000 0.0000 0.0000
- 13ALA N 117 -0.606 -0.814 1.647 0.0000 0.0000 0.0000
- 13ALA H 118 -0.653 -0.744 1.701 0.0000 0.0000 0.0000
- 13ALA CA 119 -0.519 -0.761 1.544 0.0000 0.0000 0.0000
- 13ALA HA 120 -0.494 -0.840 1.473 0.0000 0.0000 0.0000
- 13ALA CB 121 -0.587 -0.650 1.464 0.0000 0.0000 0.0000
- 13ALA HB1 122 -0.660 -0.699 1.400 0.0000 0.0000 0.0000
- 13ALA HB2 123 -0.518 -0.591 1.403 0.0000 0.0000 0.0000
- 13ALA HB3 124 -0.622 -0.589 1.548 0.0000 0.0000 0.0000
- 13ALA C 125 -0.383 -0.725 1.603 0.0000 0.0000 0.0000
- 13ALA O 126 -0.364 -0.748 1.722 0.0000 0.0000 0.0000
- 14NME N 127 -0.285 -0.688 1.519 0.0000 0.0000 0.0000
- 14NME H 128 -0.298 -0.673 1.420 0.0000 0.0000 0.0000
- 14NME CH3 129 -0.157 -0.652 1.575 0.0000 0.0000 0.0000
- 14NME HH31 130 -0.121 -0.717 1.655 0.0000 0.0000 0.0000
- 14NME HH32 131 -0.163 -0.554 1.623 0.0000 0.0000 0.0000
- 14NME HH33 132 -0.080 -0.648 1.497 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -0.264 -1.191 1.743
+ 1ACE CH3 2 -0.363 -1.148 1.752
+ 1ACE HH32 3 -0.355 -1.057 1.693
+ 1ACE HH33 4 -0.426 -1.225 1.706
+ 1ACE C 5 -0.420 -1.129 1.892
+ 1ACE O 6 -0.459 -1.224 1.960
+ 2ALA N 7 -0.423 -1.003 1.934
+ 2ALA H 8 -0.418 -0.933 1.861
+ 2ALA CA 9 -0.438 -0.947 2.067
+ 2ALA HA 10 -0.469 -1.016 2.145
+ 2ALA CB 11 -0.299 -0.894 2.101
+ 2ALA HB1 12 -0.265 -0.824 2.025
+ 2ALA HB2 13 -0.226 -0.975 2.096
+ 2ALA HB3 14 -0.297 -0.838 2.194
+ 2ALA C 15 -0.540 -0.834 2.075
+ 2ALA O 16 -0.647 -0.851 2.133
+ 3ALA N 17 -0.510 -0.720 2.013
+ 3ALA H 18 -0.421 -0.712 1.964
+ 3ALA CA 19 -0.598 -0.605 2.008
+ 3ALA HA 20 -0.642 -0.600 2.108
+ 3ALA CB 21 -0.526 -0.476 1.972
+ 3ALA HB1 22 -0.597 -0.393 1.972
+ 3ALA HB2 23 -0.489 -0.493 1.871
+ 3ALA HB3 24 -0.439 -0.456 2.033
+ 3ALA C 25 -0.712 -0.632 1.911
+ 3ALA O 26 -0.706 -0.594 1.794
+ 4ALA N 27 -0.819 -0.682 1.974
+ 4ALA H 28 -0.817 -0.723 2.067
+ 4ALA CA 29 -0.952 -0.675 1.918
+ 4ALA HA 30 -0.962 -0.729 1.824
+ 4ALA CB 31 -1.050 -0.735 2.018
+ 4ALA HB1 32 -1.153 -0.734 1.982
+ 4ALA HB2 33 -1.065 -0.695 2.118
+ 4ALA HB3 34 -1.028 -0.842 2.023
+ 4ALA C 35 -0.996 -0.532 1.890
+ 4ALA O 36 -1.011 -0.446 1.977
+ 5ALA N 37 -1.007 -0.505 1.760
+ 5ALA H 38 -0.963 -0.562 1.689
+ 5ALA CA 39 -1.081 -0.392 1.708
+ 5ALA HA 40 -1.049 -0.311 1.772
+ 5ALA CB 41 -1.061 -0.357 1.561
+ 5ALA HB1 42 -1.068 -0.448 1.502
+ 5ALA HB2 43 -0.960 -0.321 1.541
+ 5ALA HB3 44 -1.118 -0.271 1.526
+ 5ALA C 45 -1.231 -0.405 1.734
+ 5ALA O 46 -1.309 -0.441 1.646
+ 6ALA N 47 -1.271 -0.394 1.861
+ 6ALA H 48 -1.196 -0.374 1.925
+ 6ALA CA 49 -1.399 -0.433 1.917
+ 6ALA HA 50 -1.384 -0.409 2.022
+ 6ALA CB 51 -1.509 -0.340 1.865
+ 6ALA HB1 52 -1.534 -0.364 1.762
+ 6ALA HB2 53 -1.484 -0.234 1.868
+ 6ALA HB3 54 -1.599 -0.347 1.927
+ 6ALA C 55 -1.444 -0.577 1.903
+ 6ALA O 56 -1.450 -0.648 2.004
+ 7ALA N 57 -1.472 -0.619 1.779
+ 7ALA H 58 -1.463 -0.537 1.720
+ 7ALA CA 59 -1.507 -0.751 1.733
+ 7ALA HA 60 -1.615 -0.762 1.744
+ 7ALA CB 61 -1.476 -0.741 1.584
+ 7ALA HB1 62 -1.494 -0.825 1.517
+ 7ALA HB2 63 -1.375 -0.710 1.558
+ 7ALA HB3 64 -1.546 -0.665 1.550
+ 7ALA C 65 -1.450 -0.867 1.814
+ 7ALA O 66 -1.347 -0.920 1.774
+ 8ALA N 67 -1.518 -0.918 1.917
+ 8ALA H 68 -1.599 -0.864 1.943
+ 8ALA CA 69 -1.465 -0.998 2.026
+ 8ALA HA 70 -1.397 -0.928 2.073
+ 8ALA CB 71 -1.577 -1.034 2.123
+ 8ALA HB1 72 -1.602 -0.940 2.173
+ 8ALA HB2 73 -1.543 -1.094 2.207
+ 8ALA HB3 74 -1.659 -1.081 2.070
+ 8ALA C 75 -1.393 -1.125 1.982
+ 8ALA O 76 -1.460 -1.219 1.938
+ 9ALA N 77 -1.260 -1.129 1.988
+ 9ALA H 78 -1.210 -1.047 2.021
+ 9ALA CA 79 -1.170 -1.219 1.919
+ 9ALA HA 80 -1.073 -1.182 1.952
+ 9ALA CB 81 -1.182 -1.357 1.984
+ 9ALA HB1 82 -1.102 -1.421 1.945
+ 9ALA HB2 83 -1.281 -1.403 1.977
+ 9ALA HB3 84 -1.173 -1.361 2.092
+ 9ALA C 85 -1.171 -1.224 1.767
+ 9ALA O 86 -1.065 -1.224 1.704
+ 10ALA N 87 -1.285 -1.196 1.704
+ 10ALA H 88 -1.366 -1.201 1.764
+ 10ALA CA 89 -1.303 -1.179 1.561
+ 10ALA HA 90 -1.288 -1.275 1.511
+ 10ALA CB 91 -1.447 -1.135 1.536
+ 10ALA HB1 92 -1.447 -1.086 1.438
+ 10ALA HB2 93 -1.475 -1.067 1.616
+ 10ALA HB3 94 -1.520 -1.216 1.528
+ 10ALA C 95 -1.208 -1.089 1.483
+ 10ALA O 96 -1.179 -1.108 1.365
+ 11ALA N 97 -1.153 -0.986 1.548
+ 11ALA H 98 -1.171 -0.973 1.646
+ 11ALA CA 99 -1.054 -0.899 1.488
+ 11ALA HA 100 -1.004 -0.959 1.411
+ 11ALA CB 101 -1.121 -0.778 1.423
+ 11ALA HB1 102 -1.216 -0.812 1.383
+ 11ALA HB2 103 -1.061 -0.728 1.347
+ 11ALA HB3 104 -1.131 -0.699 1.496
+ 11ALA C 105 -0.939 -0.871 1.583
+ 11ALA O 106 -0.890 -0.758 1.581
+ 12ALA N 107 -0.894 -0.966 1.666
+ 12ALA H 108 -0.936 -1.056 1.650
+ 12ALA CA 109 -0.769 -0.970 1.738
+ 12ALA HA 110 -0.775 -0.894 1.816
+ 12ALA CB 111 -0.754 -1.103 1.812
+ 12ALA HB1 112 -0.851 -1.136 1.847
+ 12ALA HB2 113 -0.694 -1.076 1.899
+ 12ALA HB3 114 -0.701 -1.177 1.751
+ 12ALA C 115 -0.650 -0.940 1.648
+ 12ALA O 116 -0.608 -1.035 1.582
+ 13ALA N 117 -0.606 -0.814 1.647
+ 13ALA H 118 -0.653 -0.744 1.701
+ 13ALA CA 119 -0.519 -0.761 1.544
+ 13ALA HA 120 -0.494 -0.840 1.473
+ 13ALA CB 121 -0.587 -0.650 1.464
+ 13ALA HB1 122 -0.660 -0.699 1.400
+ 13ALA HB2 123 -0.518 -0.591 1.403
+ 13ALA HB3 124 -0.622 -0.589 1.548
+ 13ALA C 125 -0.383 -0.725 1.603
+ 13ALA O 126 -0.364 -0.748 1.722
+ 14NME N 127 -0.285 -0.688 1.519
+ 14NME H 128 -0.298 -0.673 1.420
+ 14NME CH3 129 -0.157 -0.652 1.575
+ 14NME HH31 130 -0.121 -0.717 1.655
+ 14NME HH32 131 -0.163 -0.554 1.623
+ 14NME HH33 132 -0.080 -0.648 1.497
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.450000
132
- 1ACE HH31 1 -0.627 -0.539 2.184 0.0000 0.0000 0.0000
- 1ACE CH3 2 -0.697 -0.622 2.183 0.0000 0.0000 0.0000
- 1ACE HH32 3 -0.703 -0.663 2.082 0.0000 0.0000 0.0000
- 1ACE HH33 4 -0.667 -0.704 2.248 0.0000 0.0000 0.0000
- 1ACE C 5 -0.839 -0.578 2.218 0.0000 0.0000 0.0000
- 1ACE O 6 -0.873 -0.463 2.192 0.0000 0.0000 0.0000
- 2ALA N 7 -0.917 -0.667 2.278 0.0000 0.0000 0.0000
- 2ALA H 8 -0.887 -0.763 2.283 0.0000 0.0000 0.0000
- 2ALA CA 9 -1.050 -0.633 2.327 0.0000 0.0000 0.0000
- 2ALA HA 10 -1.104 -0.587 2.244 0.0000 0.0000 0.0000
- 2ALA CB 11 -1.127 -0.757 2.368 0.0000 0.0000 0.0000
- 2ALA HB1 12 -1.087 -0.842 2.312 0.0000 0.0000 0.0000
- 2ALA HB2 13 -1.231 -0.746 2.336 0.0000 0.0000 0.0000
- 2ALA HB3 14 -1.120 -0.778 2.475 0.0000 0.0000 0.0000
- 2ALA C 15 -1.044 -0.528 2.438 0.0000 0.0000 0.0000
- 2ALA O 16 -1.132 -0.442 2.447 0.0000 0.0000 0.0000
- 3ALA N 17 -0.961 -0.540 2.541 0.0000 0.0000 0.0000
- 3ALA H 18 -0.911 -0.627 2.535 0.0000 0.0000 0.0000
- 3ALA CA 19 -0.953 -0.447 2.652 0.0000 0.0000 0.0000
- 3ALA HA 20 -1.049 -0.403 2.681 0.0000 0.0000 0.0000
- 3ALA CB 21 -0.908 -0.527 2.773 0.0000 0.0000 0.0000
- 3ALA HB1 22 -0.820 -0.589 2.755 0.0000 0.0000 0.0000
- 3ALA HB2 23 -0.992 -0.586 2.809 0.0000 0.0000 0.0000
- 3ALA HB3 24 -0.884 -0.462 2.857 0.0000 0.0000 0.0000
- 3ALA C 25 -0.865 -0.329 2.615 0.0000 0.0000 0.0000
- 3ALA O 26 -0.757 -0.304 2.668 0.0000 0.0000 0.0000
- 4ALA N 27 -0.910 -0.268 2.505 0.0000 0.0000 0.0000
- 4ALA H 28 -0.999 -0.300 2.469 0.0000 0.0000 0.0000
- 4ALA CA 29 -0.840 -0.168 2.427 0.0000 0.0000 0.0000
- 4ALA HA 30 -0.814 -0.084 2.493 0.0000 0.0000 0.0000
- 4ALA CB 31 -0.707 -0.222 2.375 0.0000 0.0000 0.0000
- 4ALA HB1 32 -0.728 -0.319 2.329 0.0000 0.0000 0.0000
- 4ALA HB2 33 -0.628 -0.238 2.450 0.0000 0.0000 0.0000
- 4ALA HB3 34 -0.662 -0.151 2.306 0.0000 0.0000 0.0000
- 4ALA C 35 -0.937 -0.113 2.324 0.0000 0.0000 0.0000
- 4ALA O 36 -0.993 -0.006 2.346 0.0000 0.0000 0.0000
- 5ALA N 37 -0.962 -0.189 2.216 0.0000 0.0000 0.0000
- 5ALA H 38 -0.930 -0.285 2.220 0.0000 0.0000 0.0000
- 5ALA CA 39 -1.035 -0.150 2.098 0.0000 0.0000 0.0000
- 5ALA HA 40 -1.102 -0.069 2.130 0.0000 0.0000 0.0000
- 5ALA CB 41 -0.929 -0.102 2.000 0.0000 0.0000 0.0000
- 5ALA HB1 42 -0.883 -0.189 1.953 0.0000 0.0000 0.0000
- 5ALA HB2 43 -0.862 -0.029 2.045 0.0000 0.0000 0.0000
- 5ALA HB3 44 -0.970 -0.050 1.913 0.0000 0.0000 0.0000
- 5ALA C 45 -1.134 -0.257 2.056 0.0000 0.0000 0.0000
- 5ALA O 46 -1.254 -0.235 2.074 0.0000 0.0000 0.0000
- 6ALA N 47 -1.089 -0.376 2.014 0.0000 0.0000 0.0000
- 6ALA H 48 -0.991 -0.396 2.002 0.0000 0.0000 0.0000
- 6ALA CA 49 -1.173 -0.487 1.976 0.0000 0.0000 0.0000
- 6ALA HA 50 -1.248 -0.512 2.052 0.0000 0.0000 0.0000
- 6ALA CB 51 -1.250 -0.449 1.850 0.0000 0.0000 0.0000
- 6ALA HB1 52 -1.304 -0.355 1.864 0.0000 0.0000 0.0000
- 6ALA HB2 53 -1.320 -0.525 1.815 0.0000 0.0000 0.0000
- 6ALA HB3 54 -1.178 -0.433 1.770 0.0000 0.0000 0.0000
- 6ALA C 55 -1.086 -0.606 1.937 0.0000 0.0000 0.0000
- 6ALA O 56 -0.966 -0.591 1.912 0.0000 0.0000 0.0000
- 7ALA N 57 -1.148 -0.724 1.938 0.0000 0.0000 0.0000
- 7ALA H 58 -1.247 -0.722 1.956 0.0000 0.0000 0.0000
- 7ALA CA 59 -1.090 -0.847 1.890 0.0000 0.0000 0.0000
- 7ALA HA 60 -0.989 -0.858 1.929 0.0000 0.0000 0.0000
- 7ALA CB 61 -1.172 -0.961 1.949 0.0000 0.0000 0.0000
- 7ALA HB1 62 -1.276 -0.944 1.920 0.0000 0.0000 0.0000
- 7ALA HB2 63 -1.171 -0.956 2.058 0.0000 0.0000 0.0000
- 7ALA HB3 64 -1.145 -1.063 1.924 0.0000 0.0000 0.0000
- 7ALA C 65 -1.083 -0.847 1.738 0.0000 0.0000 0.0000
- 7ALA O 66 -1.135 -0.940 1.677 0.0000 0.0000 0.0000
- 8ALA N 67 -1.010 -0.758 1.671 0.0000 0.0000 0.0000
- 8ALA H 68 -0.974 -0.684 1.730 0.0000 0.0000 0.0000
- 8ALA CA 69 -1.019 -0.731 1.529 0.0000 0.0000 0.0000
- 8ALA HA 70 -1.123 -0.705 1.505 0.0000 0.0000 0.0000
- 8ALA CB 71 -0.948 -0.600 1.496 0.0000 0.0000 0.0000
- 8ALA HB1 72 -0.842 -0.596 1.522 0.0000 0.0000 0.0000
- 8ALA HB2 73 -1.007 -0.528 1.554 0.0000 0.0000 0.0000
- 8ALA HB3 74 -0.962 -0.583 1.389 0.0000 0.0000 0.0000
- 8ALA C 75 -0.969 -0.841 1.437 0.0000 0.0000 0.0000
- 8ALA O 76 -1.044 -0.913 1.371 0.0000 0.0000 0.0000
- 9ALA N 77 -0.838 -0.863 1.430 0.0000 0.0000 0.0000
- 9ALA H 78 -0.764 -0.814 1.478 0.0000 0.0000 0.0000
- 9ALA CA 79 -0.778 -0.982 1.373 0.0000 0.0000 0.0000
- 9ALA HA 80 -0.796 -0.972 1.266 0.0000 0.0000 0.0000
- 9ALA CB 81 -0.627 -0.969 1.391 0.0000 0.0000 0.0000
- 9ALA HB1 82 -0.566 -1.052 1.356 0.0000 0.0000 0.0000
- 9ALA HB2 83 -0.601 -0.956 1.496 0.0000 0.0000 0.0000
- 9ALA HB3 84 -0.586 -0.887 1.331 0.0000 0.0000 0.0000
- 9ALA C 85 -0.836 -1.113 1.424 0.0000 0.0000 0.0000
- 9ALA O 86 -0.850 -1.206 1.345 0.0000 0.0000 0.0000
- 10ALA N 87 -0.868 -1.127 1.553 0.0000 0.0000 0.0000
- 10ALA H 88 -0.848 -1.054 1.620 0.0000 0.0000 0.0000
- 10ALA CA 89 -0.911 -1.254 1.608 0.0000 0.0000 0.0000
- 10ALA HA 90 -0.832 -1.327 1.593 0.0000 0.0000 0.0000
- 10ALA CB 91 -0.923 -1.243 1.760 0.0000 0.0000 0.0000
- 10ALA HB1 92 -0.966 -1.335 1.800 0.0000 0.0000 0.0000
- 10ALA HB2 93 -1.004 -1.174 1.781 0.0000 0.0000 0.0000
- 10ALA HB3 94 -0.830 -1.201 1.798 0.0000 0.0000 0.0000
- 10ALA C 95 -1.043 -1.306 1.551 0.0000 0.0000 0.0000
- 10ALA O 96 -1.060 -1.417 1.503 0.0000 0.0000 0.0000
- 11ALA N 97 -1.141 -1.216 1.543 0.0000 0.0000 0.0000
- 11ALA H 98 -1.133 -1.128 1.591 0.0000 0.0000 0.0000
- 11ALA CA 99 -1.274 -1.240 1.490 0.0000 0.0000 0.0000
- 11ALA HA 100 -1.314 -1.331 1.535 0.0000 0.0000 0.0000
- 11ALA CB 101 -1.360 -1.124 1.538 0.0000 0.0000 0.0000
- 11ALA HB1 102 -1.343 -1.111 1.645 0.0000 0.0000 0.0000
- 11ALA HB2 103 -1.462 -1.157 1.519 0.0000 0.0000 0.0000
- 11ALA HB3 104 -1.348 -1.037 1.473 0.0000 0.0000 0.0000
- 11ALA C 105 -1.275 -1.250 1.338 0.0000 0.0000 0.0000
- 11ALA O 106 -1.351 -1.326 1.280 0.0000 0.0000 0.0000
- 12ALA N 107 -1.192 -1.171 1.269 0.0000 0.0000 0.0000
- 12ALA H 108 -1.124 -1.108 1.308 0.0000 0.0000 0.0000
- 12ALA CA 109 -1.151 -1.198 1.133 0.0000 0.0000 0.0000
- 12ALA HA 110 -1.237 -1.176 1.069 0.0000 0.0000 0.0000
- 12ALA CB 111 -1.042 -1.102 1.088 0.0000 0.0000 0.0000
- 12ALA HB1 112 -1.034 -1.111 0.980 0.0000 0.0000 0.0000
- 12ALA HB2 113 -0.944 -1.136 1.123 0.0000 0.0000 0.0000
- 12ALA HB3 114 -1.072 -1.001 1.115 0.0000 0.0000 0.0000
- 12ALA C 115 -1.089 -1.333 1.098 0.0000 0.0000 0.0000
- 12ALA O 116 -1.135 -1.398 1.004 0.0000 0.0000 0.0000
- 13ALA N 117 -0.990 -1.387 1.168 0.0000 0.0000 0.0000
- 13ALA H 118 -0.941 -1.320 1.226 0.0000 0.0000 0.0000
- 13ALA CA 119 -0.942 -1.522 1.146 0.0000 0.0000 0.0000
- 13ALA HA 120 -0.918 -1.533 1.040 0.0000 0.0000 0.0000
- 13ALA CB 121 -0.812 -1.532 1.225 0.0000 0.0000 0.0000
- 13ALA HB1 122 -0.740 -1.455 1.198 0.0000 0.0000 0.0000
- 13ALA HB2 123 -0.764 -1.629 1.208 0.0000 0.0000 0.0000
- 13ALA HB3 124 -0.826 -1.516 1.332 0.0000 0.0000 0.0000
- 13ALA C 125 -1.047 -1.624 1.186 0.0000 0.0000 0.0000
- 13ALA O 126 -1.077 -1.720 1.116 0.0000 0.0000 0.0000
- 14NME N 127 -1.089 -1.616 1.313 0.0000 0.0000 0.0000
- 14NME H 128 -1.057 -1.534 1.363 0.0000 0.0000 0.0000
- 14NME CH3 129 -1.157 -1.721 1.385 0.0000 0.0000 0.0000
- 14NME HH31 130 -1.195 -1.794 1.313 0.0000 0.0000 0.0000
- 14NME HH32 131 -1.245 -1.672 1.427 0.0000 0.0000 0.0000
- 14NME HH33 132 -1.087 -1.766 1.455 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -0.627 -0.539 2.184
+ 1ACE CH3 2 -0.697 -0.622 2.183
+ 1ACE HH32 3 -0.703 -0.663 2.082
+ 1ACE HH33 4 -0.667 -0.704 2.248
+ 1ACE C 5 -0.839 -0.578 2.218
+ 1ACE O 6 -0.873 -0.463 2.192
+ 2ALA N 7 -0.917 -0.667 2.278
+ 2ALA H 8 -0.887 -0.763 2.283
+ 2ALA CA 9 -1.050 -0.633 2.327
+ 2ALA HA 10 -1.104 -0.587 2.244
+ 2ALA CB 11 -1.127 -0.757 2.368
+ 2ALA HB1 12 -1.087 -0.842 2.312
+ 2ALA HB2 13 -1.231 -0.746 2.336
+ 2ALA HB3 14 -1.120 -0.778 2.475
+ 2ALA C 15 -1.044 -0.528 2.438
+ 2ALA O 16 -1.132 -0.442 2.447
+ 3ALA N 17 -0.961 -0.540 2.541
+ 3ALA H 18 -0.911 -0.627 2.535
+ 3ALA CA 19 -0.953 -0.447 2.652
+ 3ALA HA 20 -1.049 -0.403 2.681
+ 3ALA CB 21 -0.908 -0.527 2.773
+ 3ALA HB1 22 -0.820 -0.589 2.755
+ 3ALA HB2 23 -0.992 -0.586 2.809
+ 3ALA HB3 24 -0.884 -0.462 2.857
+ 3ALA C 25 -0.865 -0.329 2.615
+ 3ALA O 26 -0.757 -0.304 2.668
+ 4ALA N 27 -0.910 -0.268 2.505
+ 4ALA H 28 -0.999 -0.300 2.469
+ 4ALA CA 29 -0.840 -0.168 2.427
+ 4ALA HA 30 -0.814 -0.084 2.493
+ 4ALA CB 31 -0.707 -0.222 2.375
+ 4ALA HB1 32 -0.728 -0.319 2.329
+ 4ALA HB2 33 -0.628 -0.238 2.450
+ 4ALA HB3 34 -0.662 -0.151 2.306
+ 4ALA C 35 -0.937 -0.113 2.324
+ 4ALA O 36 -0.993 -0.006 2.346
+ 5ALA N 37 -0.962 -0.189 2.216
+ 5ALA H 38 -0.930 -0.285 2.220
+ 5ALA CA 39 -1.035 -0.150 2.098
+ 5ALA HA 40 -1.102 -0.069 2.130
+ 5ALA CB 41 -0.929 -0.102 2.000
+ 5ALA HB1 42 -0.883 -0.189 1.953
+ 5ALA HB2 43 -0.862 -0.029 2.045
+ 5ALA HB3 44 -0.970 -0.050 1.913
+ 5ALA C 45 -1.134 -0.257 2.056
+ 5ALA O 46 -1.254 -0.235 2.074
+ 6ALA N 47 -1.089 -0.376 2.014
+ 6ALA H 48 -0.991 -0.396 2.002
+ 6ALA CA 49 -1.173 -0.487 1.976
+ 6ALA HA 50 -1.248 -0.512 2.052
+ 6ALA CB 51 -1.250 -0.449 1.850
+ 6ALA HB1 52 -1.304 -0.355 1.864
+ 6ALA HB2 53 -1.320 -0.525 1.815
+ 6ALA HB3 54 -1.178 -0.433 1.770
+ 6ALA C 55 -1.086 -0.606 1.937
+ 6ALA O 56 -0.966 -0.591 1.912
+ 7ALA N 57 -1.148 -0.724 1.938
+ 7ALA H 58 -1.247 -0.722 1.956
+ 7ALA CA 59 -1.090 -0.847 1.890
+ 7ALA HA 60 -0.989 -0.858 1.929
+ 7ALA CB 61 -1.172 -0.961 1.949
+ 7ALA HB1 62 -1.276 -0.944 1.920
+ 7ALA HB2 63 -1.171 -0.956 2.058
+ 7ALA HB3 64 -1.145 -1.063 1.924
+ 7ALA C 65 -1.083 -0.847 1.738
+ 7ALA O 66 -1.135 -0.940 1.677
+ 8ALA N 67 -1.010 -0.758 1.671
+ 8ALA H 68 -0.974 -0.684 1.730
+ 8ALA CA 69 -1.019 -0.731 1.529
+ 8ALA HA 70 -1.123 -0.705 1.505
+ 8ALA CB 71 -0.948 -0.600 1.496
+ 8ALA HB1 72 -0.842 -0.596 1.522
+ 8ALA HB2 73 -1.007 -0.528 1.554
+ 8ALA HB3 74 -0.962 -0.583 1.389
+ 8ALA C 75 -0.969 -0.841 1.437
+ 8ALA O 76 -1.044 -0.913 1.371
+ 9ALA N 77 -0.838 -0.863 1.430
+ 9ALA H 78 -0.764 -0.814 1.478
+ 9ALA CA 79 -0.778 -0.982 1.373
+ 9ALA HA 80 -0.796 -0.972 1.266
+ 9ALA CB 81 -0.627 -0.969 1.391
+ 9ALA HB1 82 -0.566 -1.052 1.356
+ 9ALA HB2 83 -0.601 -0.956 1.496
+ 9ALA HB3 84 -0.586 -0.887 1.331
+ 9ALA C 85 -0.836 -1.113 1.424
+ 9ALA O 86 -0.850 -1.206 1.345
+ 10ALA N 87 -0.868 -1.127 1.553
+ 10ALA H 88 -0.848 -1.054 1.620
+ 10ALA CA 89 -0.911 -1.254 1.608
+ 10ALA HA 90 -0.832 -1.327 1.593
+ 10ALA CB 91 -0.923 -1.243 1.760
+ 10ALA HB1 92 -0.966 -1.335 1.800
+ 10ALA HB2 93 -1.004 -1.174 1.781
+ 10ALA HB3 94 -0.830 -1.201 1.798
+ 10ALA C 95 -1.043 -1.306 1.551
+ 10ALA O 96 -1.060 -1.417 1.503
+ 11ALA N 97 -1.141 -1.216 1.543
+ 11ALA H 98 -1.133 -1.128 1.591
+ 11ALA CA 99 -1.274 -1.240 1.490
+ 11ALA HA 100 -1.314 -1.331 1.535
+ 11ALA CB 101 -1.360 -1.124 1.538
+ 11ALA HB1 102 -1.343 -1.111 1.645
+ 11ALA HB2 103 -1.462 -1.157 1.519
+ 11ALA HB3 104 -1.348 -1.037 1.473
+ 11ALA C 105 -1.275 -1.250 1.338
+ 11ALA O 106 -1.351 -1.326 1.280
+ 12ALA N 107 -1.192 -1.171 1.269
+ 12ALA H 108 -1.124 -1.108 1.308
+ 12ALA CA 109 -1.151 -1.198 1.133
+ 12ALA HA 110 -1.237 -1.176 1.069
+ 12ALA CB 111 -1.042 -1.102 1.088
+ 12ALA HB1 112 -1.034 -1.111 0.980
+ 12ALA HB2 113 -0.944 -1.136 1.123
+ 12ALA HB3 114 -1.072 -1.001 1.115
+ 12ALA C 115 -1.089 -1.333 1.098
+ 12ALA O 116 -1.135 -1.398 1.004
+ 13ALA N 117 -0.990 -1.387 1.168
+ 13ALA H 118 -0.941 -1.320 1.226
+ 13ALA CA 119 -0.942 -1.522 1.146
+ 13ALA HA 120 -0.918 -1.533 1.040
+ 13ALA CB 121 -0.812 -1.532 1.225
+ 13ALA HB1 122 -0.740 -1.455 1.198
+ 13ALA HB2 123 -0.764 -1.629 1.208
+ 13ALA HB3 124 -0.826 -1.516 1.332
+ 13ALA C 125 -1.047 -1.624 1.186
+ 13ALA O 126 -1.077 -1.720 1.116
+ 14NME N 127 -1.089 -1.616 1.313
+ 14NME H 128 -1.057 -1.534 1.363
+ 14NME CH3 129 -1.157 -1.721 1.385
+ 14NME HH31 130 -1.195 -1.794 1.313
+ 14NME HH32 131 -1.245 -1.672 1.427
+ 14NME HH33 132 -1.087 -1.766 1.455
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.500000
132
- 1ACE HH31 1 -0.290 -0.494 2.251 0.0000 0.0000 0.0000
- 1ACE CH3 2 -0.355 -0.422 2.301 0.0000 0.0000 0.0000
- 1ACE HH32 3 -0.313 -0.370 2.388 0.0000 0.0000 0.0000
- 1ACE HH33 4 -0.385 -0.347 2.228 0.0000 0.0000 0.0000
- 1ACE C 5 -0.469 -0.506 2.357 0.0000 0.0000 0.0000
- 1ACE O 6 -0.440 -0.613 2.410 0.0000 0.0000 0.0000
- 2ALA N 7 -0.590 -0.450 2.362 0.0000 0.0000 0.0000
- 2ALA H 8 -0.606 -0.366 2.308 0.0000 0.0000 0.0000
- 2ALA CA 9 -0.702 -0.497 2.441 0.0000 0.0000 0.0000
- 2ALA HA 10 -0.698 -0.606 2.436 0.0000 0.0000 0.0000
- 2ALA CB 11 -0.676 -0.464 2.587 0.0000 0.0000 0.0000
- 2ALA HB1 12 -0.574 -0.491 2.615 0.0000 0.0000 0.0000
- 2ALA HB2 13 -0.735 -0.534 2.646 0.0000 0.0000 0.0000
- 2ALA HB3 14 -0.691 -0.359 2.611 0.0000 0.0000 0.0000
- 2ALA C 15 -0.836 -0.444 2.391 0.0000 0.0000 0.0000
- 2ALA O 16 -0.848 -0.410 2.274 0.0000 0.0000 0.0000
- 3ALA N 17 -0.932 -0.437 2.484 0.0000 0.0000 0.0000
- 3ALA H 18 -0.917 -0.470 2.578 0.0000 0.0000 0.0000
- 3ALA CA 19 -1.065 -0.382 2.469 0.0000 0.0000 0.0000
- 3ALA HA 20 -1.122 -0.432 2.548 0.0000 0.0000 0.0000
- 3ALA CB 21 -1.060 -0.232 2.494 0.0000 0.0000 0.0000
- 3ALA HB1 22 -1.162 -0.196 2.482 0.0000 0.0000 0.0000
- 3ALA HB2 23 -0.993 -0.182 2.424 0.0000 0.0000 0.0000
- 3ALA HB3 24 -1.022 -0.211 2.594 0.0000 0.0000 0.0000
- 3ALA C 25 -1.127 -0.433 2.340 0.0000 0.0000 0.0000
- 3ALA O 26 -1.146 -0.552 2.312 0.0000 0.0000 0.0000
- 4ALA N 27 -1.158 -0.338 2.252 0.0000 0.0000 0.0000
- 4ALA H 28 -1.147 -0.244 2.286 0.0000 0.0000 0.0000
- 4ALA CA 29 -1.211 -0.361 2.119 0.0000 0.0000 0.0000
- 4ALA HA 30 -1.300 -0.423 2.134 0.0000 0.0000 0.0000
- 4ALA CB 31 -1.235 -0.222 2.061 0.0000 0.0000 0.0000
- 4ALA HB1 32 -1.280 -0.244 1.964 0.0000 0.0000 0.0000
- 4ALA HB2 33 -1.145 -0.163 2.047 0.0000 0.0000 0.0000
- 4ALA HB3 34 -1.296 -0.158 2.125 0.0000 0.0000 0.0000
- 4ALA C 35 -1.110 -0.423 2.024 0.0000 0.0000 0.0000
- 4ALA O 36 -1.145 -0.498 1.934 0.0000 0.0000 0.0000
- 5ALA N 37 -0.983 -0.382 2.032 0.0000 0.0000 0.0000
- 5ALA H 38 -0.950 -0.331 2.113 0.0000 0.0000 0.0000
- 5ALA CA 39 -0.882 -0.420 1.936 0.0000 0.0000 0.0000
- 5ALA HA 40 -0.920 -0.386 1.839 0.0000 0.0000 0.0000
- 5ALA CB 41 -0.754 -0.337 1.947 0.0000 0.0000 0.0000
- 5ALA HB1 42 -0.683 -0.363 1.870 0.0000 0.0000 0.0000
- 5ALA HB2 43 -0.709 -0.347 2.046 0.0000 0.0000 0.0000
- 5ALA HB3 44 -0.769 -0.233 1.920 0.0000 0.0000 0.0000
- 5ALA C 45 -0.864 -0.571 1.932 0.0000 0.0000 0.0000
- 5ALA O 46 -0.876 -0.627 1.823 0.0000 0.0000 0.0000
- 6ALA N 47 -0.850 -0.633 2.049 0.0000 0.0000 0.0000
- 6ALA H 48 -0.846 -0.575 2.131 0.0000 0.0000 0.0000
- 6ALA CA 49 -0.850 -0.776 2.075 0.0000 0.0000 0.0000
- 6ALA HA 50 -0.760 -0.826 2.042 0.0000 0.0000 0.0000
- 6ALA CB 51 -0.850 -0.802 2.226 0.0000 0.0000 0.0000
- 6ALA HB1 52 -0.842 -0.910 2.228 0.0000 0.0000 0.0000
- 6ALA HB2 53 -0.941 -0.767 2.275 0.0000 0.0000 0.0000
- 6ALA HB3 54 -0.764 -0.754 2.273 0.0000 0.0000 0.0000
- 6ALA C 55 -0.964 -0.843 2.000 0.0000 0.0000 0.0000
- 6ALA O 56 -0.944 -0.930 1.916 0.0000 0.0000 0.0000
- 7ALA N 57 -1.088 -0.802 2.030 0.0000 0.0000 0.0000
- 7ALA H 58 -1.093 -0.725 2.095 0.0000 0.0000 0.0000
- 7ALA CA 59 -1.213 -0.849 1.974 0.0000 0.0000 0.0000
- 7ALA HA 60 -1.210 -0.954 2.001 0.0000 0.0000 0.0000
- 7ALA CB 61 -1.329 -0.776 2.043 0.0000 0.0000 0.0000
- 7ALA HB1 62 -1.355 -0.817 2.140 0.0000 0.0000 0.0000
- 7ALA HB2 63 -1.418 -0.796 1.984 0.0000 0.0000 0.0000
- 7ALA HB3 64 -1.313 -0.668 2.048 0.0000 0.0000 0.0000
- 7ALA C 65 -1.218 -0.840 1.822 0.0000 0.0000 0.0000
- 7ALA O 66 -1.255 -0.938 1.758 0.0000 0.0000 0.0000
- 8ALA N 67 -1.183 -0.726 1.763 0.0000 0.0000 0.0000
- 8ALA H 68 -1.163 -0.647 1.823 0.0000 0.0000 0.0000
- 8ALA CA 69 -1.158 -0.714 1.621 0.0000 0.0000 0.0000
- 8ALA HA 70 -1.252 -0.747 1.577 0.0000 0.0000 0.0000
- 8ALA CB 71 -1.119 -0.568 1.598 0.0000 0.0000 0.0000
- 8ALA HB1 72 -1.122 -0.549 1.490 0.0000 0.0000 0.0000
- 8ALA HB2 73 -1.020 -0.546 1.639 0.0000 0.0000 0.0000
- 8ALA HB3 74 -1.188 -0.500 1.647 0.0000 0.0000 0.0000
- 8ALA C 75 -1.052 -0.813 1.574 0.0000 0.0000 0.0000
- 8ALA O 76 -1.070 -0.882 1.474 0.0000 0.0000 0.0000
- 9ALA N 77 -0.942 -0.827 1.648 0.0000 0.0000 0.0000
- 9ALA H 78 -0.933 -0.764 1.727 0.0000 0.0000 0.0000
- 9ALA CA 79 -0.834 -0.918 1.615 0.0000 0.0000 0.0000
- 9ALA HA 80 -0.797 -0.897 1.515 0.0000 0.0000 0.0000
- 9ALA CB 81 -0.709 -0.901 1.701 0.0000 0.0000 0.0000
- 9ALA HB1 82 -0.627 -0.946 1.645 0.0000 0.0000 0.0000
- 9ALA HB2 83 -0.727 -0.940 1.801 0.0000 0.0000 0.0000
- 9ALA HB3 84 -0.688 -0.795 1.712 0.0000 0.0000 0.0000
- 9ALA C 85 -0.886 -1.060 1.609 0.0000 0.0000 0.0000
- 9ALA O 86 -0.863 -1.131 1.511 0.0000 0.0000 0.0000
- 10ALA N 87 -0.961 -1.104 1.711 0.0000 0.0000 0.0000
- 10ALA H 88 -0.973 -1.050 1.796 0.0000 0.0000 0.0000
- 10ALA CA 89 -1.024 -1.234 1.704 0.0000 0.0000 0.0000
- 10ALA HA 90 -0.947 -1.309 1.687 0.0000 0.0000 0.0000
- 10ALA CB 91 -1.087 -1.278 1.836 0.0000 0.0000 0.0000
- 10ALA HB1 92 -1.013 -1.289 1.916 0.0000 0.0000 0.0000
- 10ALA HB2 93 -1.133 -1.376 1.830 0.0000 0.0000 0.0000
- 10ALA HB3 94 -1.168 -1.207 1.854 0.0000 0.0000 0.0000
- 10ALA C 95 -1.125 -1.242 1.590 0.0000 0.0000 0.0000
- 10ALA O 96 -1.131 -1.338 1.514 0.0000 0.0000 0.0000
- 11ALA N 97 -1.208 -1.140 1.564 0.0000 0.0000 0.0000
- 11ALA H 98 -1.203 -1.058 1.622 0.0000 0.0000 0.0000
- 11ALA CA 99 -1.324 -1.157 1.479 0.0000 0.0000 0.0000
- 11ALA HA 100 -1.383 -1.244 1.509 0.0000 0.0000 0.0000
- 11ALA CB 101 -1.415 -1.036 1.496 0.0000 0.0000 0.0000
- 11ALA HB1 102 -1.467 -1.042 1.592 0.0000 0.0000 0.0000
- 11ALA HB2 103 -1.496 -1.050 1.425 0.0000 0.0000 0.0000
- 11ALA HB3 104 -1.367 -0.938 1.490 0.0000 0.0000 0.0000
- 11ALA C 105 -1.286 -1.171 1.333 0.0000 0.0000 0.0000
- 11ALA O 106 -1.326 -1.259 1.257 0.0000 0.0000 0.0000
- 12ALA N 107 -1.199 -1.081 1.286 0.0000 0.0000 0.0000
- 12ALA H 108 -1.149 -1.022 1.351 0.0000 0.0000 0.0000
- 12ALA CA 109 -1.153 -1.065 1.150 0.0000 0.0000 0.0000
- 12ALA HA 110 -1.233 -1.086 1.079 0.0000 0.0000 0.0000
- 12ALA CB 111 -1.104 -0.923 1.125 0.0000 0.0000 0.0000
- 12ALA HB1 112 -1.047 -0.921 1.032 0.0000 0.0000 0.0000
- 12ALA HB2 113 -1.038 -0.877 1.198 0.0000 0.0000 0.0000
- 12ALA HB3 114 -1.187 -0.853 1.109 0.0000 0.0000 0.0000
- 12ALA C 115 -1.040 -1.161 1.113 0.0000 0.0000 0.0000
- 12ALA O 116 -1.029 -1.196 0.996 0.0000 0.0000 0.0000
- 13ALA N 117 -0.956 -1.194 1.212 0.0000 0.0000 0.0000
- 13ALA H 118 -0.980 -1.150 1.300 0.0000 0.0000 0.0000
- 13ALA CA 119 -0.841 -1.280 1.191 0.0000 0.0000 0.0000
- 13ALA HA 120 -0.843 -1.324 1.091 0.0000 0.0000 0.0000
- 13ALA CB 121 -0.718 -1.192 1.206 0.0000 0.0000 0.0000
- 13ALA HB1 122 -0.635 -1.263 1.215 0.0000 0.0000 0.0000
- 13ALA HB2 123 -0.722 -1.147 1.305 0.0000 0.0000 0.0000
- 13ALA HB3 124 -0.686 -1.121 1.129 0.0000 0.0000 0.0000
- 13ALA C 125 -0.844 -1.407 1.275 0.0000 0.0000 0.0000
- 13ALA O 126 -0.860 -1.513 1.217 0.0000 0.0000 0.0000
- 14NME N 127 -0.829 -1.400 1.408 0.0000 0.0000 0.0000
- 14NME H 128 -0.832 -1.305 1.443 0.0000 0.0000 0.0000
- 14NME CH3 129 -0.834 -1.514 1.497 0.0000 0.0000 0.0000
- 14NME HH31 130 -0.938 -1.534 1.525 0.0000 0.0000 0.0000
- 14NME HH32 131 -0.772 -1.496 1.584 0.0000 0.0000 0.0000
- 14NME HH33 132 -0.806 -1.608 1.448 0.0000 0.0000 0.0000
+ 1ACE HH31 1 -0.290 -0.494 2.251
+ 1ACE CH3 2 -0.355 -0.422 2.301
+ 1ACE HH32 3 -0.313 -0.370 2.388
+ 1ACE HH33 4 -0.385 -0.347 2.228
+ 1ACE C 5 -0.469 -0.506 2.357
+ 1ACE O 6 -0.440 -0.613 2.410
+ 2ALA N 7 -0.590 -0.450 2.362
+ 2ALA H 8 -0.606 -0.366 2.308
+ 2ALA CA 9 -0.702 -0.497 2.441
+ 2ALA HA 10 -0.698 -0.606 2.436
+ 2ALA CB 11 -0.676 -0.464 2.587
+ 2ALA HB1 12 -0.574 -0.491 2.615
+ 2ALA HB2 13 -0.735 -0.534 2.646
+ 2ALA HB3 14 -0.691 -0.359 2.611
+ 2ALA C 15 -0.836 -0.444 2.391
+ 2ALA O 16 -0.848 -0.410 2.274
+ 3ALA N 17 -0.932 -0.437 2.484
+ 3ALA H 18 -0.917 -0.470 2.578
+ 3ALA CA 19 -1.065 -0.382 2.469
+ 3ALA HA 20 -1.122 -0.432 2.548
+ 3ALA CB 21 -1.060 -0.232 2.494
+ 3ALA HB1 22 -1.162 -0.196 2.482
+ 3ALA HB2 23 -0.993 -0.182 2.424
+ 3ALA HB3 24 -1.022 -0.211 2.594
+ 3ALA C 25 -1.127 -0.433 2.340
+ 3ALA O 26 -1.146 -0.552 2.312
+ 4ALA N 27 -1.158 -0.338 2.252
+ 4ALA H 28 -1.147 -0.244 2.286
+ 4ALA CA 29 -1.211 -0.361 2.119
+ 4ALA HA 30 -1.300 -0.423 2.134
+ 4ALA CB 31 -1.235 -0.222 2.061
+ 4ALA HB1 32 -1.280 -0.244 1.964
+ 4ALA HB2 33 -1.145 -0.163 2.047
+ 4ALA HB3 34 -1.296 -0.158 2.125
+ 4ALA C 35 -1.110 -0.423 2.024
+ 4ALA O 36 -1.145 -0.498 1.934
+ 5ALA N 37 -0.983 -0.382 2.032
+ 5ALA H 38 -0.950 -0.331 2.113
+ 5ALA CA 39 -0.882 -0.420 1.936
+ 5ALA HA 40 -0.920 -0.386 1.839
+ 5ALA CB 41 -0.754 -0.337 1.947
+ 5ALA HB1 42 -0.683 -0.363 1.870
+ 5ALA HB2 43 -0.709 -0.347 2.046
+ 5ALA HB3 44 -0.769 -0.233 1.920
+ 5ALA C 45 -0.864 -0.571 1.932
+ 5ALA O 46 -0.876 -0.627 1.823
+ 6ALA N 47 -0.850 -0.633 2.049
+ 6ALA H 48 -0.846 -0.575 2.131
+ 6ALA CA 49 -0.850 -0.776 2.075
+ 6ALA HA 50 -0.760 -0.826 2.042
+ 6ALA CB 51 -0.850 -0.802 2.226
+ 6ALA HB1 52 -0.842 -0.910 2.228
+ 6ALA HB2 53 -0.941 -0.767 2.275
+ 6ALA HB3 54 -0.764 -0.754 2.273
+ 6ALA C 55 -0.964 -0.843 2.000
+ 6ALA O 56 -0.944 -0.930 1.916
+ 7ALA N 57 -1.088 -0.802 2.030
+ 7ALA H 58 -1.093 -0.725 2.095
+ 7ALA CA 59 -1.213 -0.849 1.974
+ 7ALA HA 60 -1.210 -0.954 2.001
+ 7ALA CB 61 -1.329 -0.776 2.043
+ 7ALA HB1 62 -1.355 -0.817 2.140
+ 7ALA HB2 63 -1.418 -0.796 1.984
+ 7ALA HB3 64 -1.313 -0.668 2.048
+ 7ALA C 65 -1.218 -0.840 1.822
+ 7ALA O 66 -1.255 -0.938 1.758
+ 8ALA N 67 -1.183 -0.726 1.763
+ 8ALA H 68 -1.163 -0.647 1.823
+ 8ALA CA 69 -1.158 -0.714 1.621
+ 8ALA HA 70 -1.252 -0.747 1.577
+ 8ALA CB 71 -1.119 -0.568 1.598
+ 8ALA HB1 72 -1.122 -0.549 1.490
+ 8ALA HB2 73 -1.020 -0.546 1.639
+ 8ALA HB3 74 -1.188 -0.500 1.647
+ 8ALA C 75 -1.052 -0.813 1.574
+ 8ALA O 76 -1.070 -0.882 1.474
+ 9ALA N 77 -0.942 -0.827 1.648
+ 9ALA H 78 -0.933 -0.764 1.727
+ 9ALA CA 79 -0.834 -0.918 1.615
+ 9ALA HA 80 -0.797 -0.897 1.515
+ 9ALA CB 81 -0.709 -0.901 1.701
+ 9ALA HB1 82 -0.627 -0.946 1.645
+ 9ALA HB2 83 -0.727 -0.940 1.801
+ 9ALA HB3 84 -0.688 -0.795 1.712
+ 9ALA C 85 -0.886 -1.060 1.609
+ 9ALA O 86 -0.863 -1.131 1.511
+ 10ALA N 87 -0.961 -1.104 1.711
+ 10ALA H 88 -0.973 -1.050 1.796
+ 10ALA CA 89 -1.024 -1.234 1.704
+ 10ALA HA 90 -0.947 -1.309 1.687
+ 10ALA CB 91 -1.087 -1.278 1.836
+ 10ALA HB1 92 -1.013 -1.289 1.916
+ 10ALA HB2 93 -1.133 -1.376 1.830
+ 10ALA HB3 94 -1.168 -1.207 1.854
+ 10ALA C 95 -1.125 -1.242 1.590
+ 10ALA O 96 -1.131 -1.338 1.514
+ 11ALA N 97 -1.208 -1.140 1.564
+ 11ALA H 98 -1.203 -1.058 1.622
+ 11ALA CA 99 -1.324 -1.157 1.479
+ 11ALA HA 100 -1.383 -1.244 1.509
+ 11ALA CB 101 -1.415 -1.036 1.496
+ 11ALA HB1 102 -1.467 -1.042 1.592
+ 11ALA HB2 103 -1.496 -1.050 1.425
+ 11ALA HB3 104 -1.367 -0.938 1.490
+ 11ALA C 105 -1.286 -1.171 1.333
+ 11ALA O 106 -1.326 -1.259 1.257
+ 12ALA N 107 -1.199 -1.081 1.286
+ 12ALA H 108 -1.149 -1.022 1.351
+ 12ALA CA 109 -1.153 -1.065 1.150
+ 12ALA HA 110 -1.233 -1.086 1.079
+ 12ALA CB 111 -1.104 -0.923 1.125
+ 12ALA HB1 112 -1.047 -0.921 1.032
+ 12ALA HB2 113 -1.038 -0.877 1.198
+ 12ALA HB3 114 -1.187 -0.853 1.109
+ 12ALA C 115 -1.040 -1.161 1.113
+ 12ALA O 116 -1.029 -1.196 0.996
+ 13ALA N 117 -0.956 -1.194 1.212
+ 13ALA H 118 -0.980 -1.150 1.300
+ 13ALA CA 119 -0.841 -1.280 1.191
+ 13ALA HA 120 -0.843 -1.324 1.091
+ 13ALA CB 121 -0.718 -1.192 1.206
+ 13ALA HB1 122 -0.635 -1.263 1.215
+ 13ALA HB2 123 -0.722 -1.147 1.305
+ 13ALA HB3 124 -0.686 -1.121 1.129
+ 13ALA C 125 -0.844 -1.407 1.275
+ 13ALA O 126 -0.860 -1.513 1.217
+ 14NME N 127 -0.829 -1.400 1.408
+ 14NME H 128 -0.832 -1.305 1.443
+ 14NME CH3 129 -0.834 -1.514 1.497
+ 14NME HH31 130 -0.938 -1.534 1.525
+ 14NME HH32 131 -0.772 -1.496 1.584
+ 14NME HH33 132 -0.806 -1.608 1.448
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Made with PLUMED t=0.550000
132
- 1ACE HH31 1 0.072 -1.016 1.887 0.0000 0.0000 0.0000
- 1ACE CH3 2 0.034 -0.916 1.912 0.0000 0.0000 0.0000
- 1ACE HH32 3 0.047 -0.887 2.016 0.0000 0.0000 0.0000
- 1ACE HH33 4 0.076 -0.831 1.859 0.0000 0.0000 0.0000
- 1ACE C 5 -0.114 -0.927 1.879 0.0000 0.0000 0.0000
- 1ACE O 6 -0.153 -0.971 1.772 0.0000 0.0000 0.0000
- 2ALA N 7 -0.207 -0.887 1.966 0.0000 0.0000 0.0000
- 2ALA H 8 -0.174 -0.848 2.054 0.0000 0.0000 0.0000
- 2ALA CA 9 -0.351 -0.899 1.962 0.0000 0.0000 0.0000
- 2ALA HA 10 -0.386 -0.927 1.862 0.0000 0.0000 0.0000
- 2ALA CB 11 -0.404 -0.998 2.065 0.0000 0.0000 0.0000
- 2ALA HB1 12 -0.513 -0.997 2.071 0.0000 0.0000 0.0000
- 2ALA HB2 13 -0.369 -0.963 2.162 0.0000 0.0000 0.0000
- 2ALA HB3 14 -0.383 -1.102 2.041 0.0000 0.0000 0.0000
- 2ALA C 15 -0.415 -0.763 1.989 0.0000 0.0000 0.0000
- 2ALA O 16 -0.426 -0.721 2.104 0.0000 0.0000 0.0000
- 3ALA N 17 -0.457 -0.692 1.884 0.0000 0.0000 0.0000
- 3ALA H 18 -0.441 -0.729 1.791 0.0000 0.0000 0.0000
- 3ALA CA 19 -0.533 -0.571 1.902 0.0000 0.0000 0.0000
- 3ALA HA 20 -0.500 -0.510 1.986 0.0000 0.0000 0.0000
- 3ALA CB 21 -0.523 -0.472 1.786 0.0000 0.0000 0.0000
- 3ALA HB1 22 -0.419 -0.451 1.763 0.0000 0.0000 0.0000
- 3ALA HB2 23 -0.578 -0.381 1.811 0.0000 0.0000 0.0000
- 3ALA HB3 24 -0.562 -0.527 1.700 0.0000 0.0000 0.0000
- 3ALA C 25 -0.679 -0.610 1.923 0.0000 0.0000 0.0000
- 3ALA O 26 -0.738 -0.682 1.843 0.0000 0.0000 0.0000
- 4ALA N 27 -0.739 -0.563 2.033 0.0000 0.0000 0.0000
- 4ALA H 28 -0.689 -0.521 2.110 0.0000 0.0000 0.0000
- 4ALA CA 29 -0.876 -0.594 2.068 0.0000 0.0000 0.0000
- 4ALA HA 30 -0.869 -0.702 2.075 0.0000 0.0000 0.0000
- 4ALA CB 31 -0.904 -0.534 2.205 0.0000 0.0000 0.0000
- 4ALA HB1 32 -0.894 -0.425 2.200 0.0000 0.0000 0.0000
- 4ALA HB2 33 -0.846 -0.575 2.288 0.0000 0.0000 0.0000
- 4ALA HB3 34 -1.011 -0.545 2.225 0.0000 0.0000 0.0000
- 4ALA C 35 -0.981 -0.556 1.964 0.0000 0.0000 0.0000
- 4ALA O 36 -0.972 -0.449 1.905 0.0000 0.0000 0.0000
- 5ALA N 37 -1.079 -0.644 1.941 0.0000 0.0000 0.0000
- 5ALA H 38 -1.079 -0.725 2.002 0.0000 0.0000 0.0000
- 5ALA CA 39 -1.186 -0.610 1.850 0.0000 0.0000 0.0000
- 5ALA HA 40 -1.191 -0.502 1.835 0.0000 0.0000 0.0000
- 5ALA CB 41 -1.156 -0.666 1.712 0.0000 0.0000 0.0000
- 5ALA HB1 42 -1.137 -0.773 1.712 0.0000 0.0000 0.0000
- 5ALA HB2 43 -1.076 -0.604 1.671 0.0000 0.0000 0.0000
- 5ALA HB3 44 -1.242 -0.650 1.647 0.0000 0.0000 0.0000
- 5ALA C 45 -1.320 -0.655 1.906 0.0000 0.0000 0.0000
- 5ALA O 46 -1.425 -0.600 1.872 0.0000 0.0000 0.0000
- 6ALA N 47 -1.327 -0.762 1.986 0.0000 0.0000 0.0000
- 6ALA H 48 -1.235 -0.803 1.999 0.0000 0.0000 0.0000
- 6ALA CA 49 -1.437 -0.819 2.061 0.0000 0.0000 0.0000
- 6ALA HA 50 -1.394 -0.918 2.075 0.0000 0.0000 0.0000
- 6ALA CB 51 -1.461 -0.751 2.195 0.0000 0.0000 0.0000
- 6ALA HB1 52 -1.559 -0.785 2.229 0.0000 0.0000 0.0000
- 6ALA HB2 53 -1.479 -0.645 2.179 0.0000 0.0000 0.0000
- 6ALA HB3 54 -1.380 -0.785 2.260 0.0000 0.0000 0.0000
- 6ALA C 55 -1.568 -0.833 1.985 0.0000 0.0000 0.0000
- 6ALA O 56 -1.607 -0.944 1.948 0.0000 0.0000 0.0000
- 7ALA N 57 -1.639 -0.722 1.964 0.0000 0.0000 0.0000
- 7ALA H 58 -1.578 -0.647 1.995 0.0000 0.0000 0.0000
- 7ALA CA 59 -1.749 -0.701 1.872 0.0000 0.0000 0.0000
- 7ALA HA 60 -1.832 -0.753 1.921 0.0000 0.0000 0.0000
- 7ALA CB 61 -1.783 -0.553 1.866 0.0000 0.0000 0.0000
- 7ALA HB1 62 -1.694 -0.489 1.865 0.0000 0.0000 0.0000
- 7ALA HB2 63 -1.848 -0.523 1.948 0.0000 0.0000 0.0000
- 7ALA HB3 64 -1.839 -0.521 1.778 0.0000 0.0000 0.0000
- 7ALA C 65 -1.729 -0.762 1.734 0.0000 0.0000 0.0000
- 7ALA O 66 -1.806 -0.843 1.684 0.0000 0.0000 0.0000
- 8ALA N 67 -1.617 -0.729 1.669 0.0000 0.0000 0.0000
- 8ALA H 68 -1.546 -0.681 1.722 0.0000 0.0000 0.0000
- 8ALA CA 69 -1.596 -0.760 1.528 0.0000 0.0000 0.0000
- 8ALA HA 70 -1.688 -0.790 1.479 0.0000 0.0000 0.0000
- 8ALA CB 71 -1.548 -0.635 1.455 0.0000 0.0000 0.0000
- 8ALA HB1 72 -1.619 -0.554 1.470 0.0000 0.0000 0.0000
- 8ALA HB2 73 -1.541 -0.657 1.349 0.0000 0.0000 0.0000
- 8ALA HB3 74 -1.448 -0.620 1.496 0.0000 0.0000 0.0000
- 8ALA C 75 -1.510 -0.884 1.515 0.0000 0.0000 0.0000
- 8ALA O 76 -1.406 -0.888 1.449 0.0000 0.0000 0.0000
- 9ALA N 77 -1.556 -0.985 1.590 0.0000 0.0000 0.0000
- 9ALA H 78 -1.649 -0.973 1.626 0.0000 0.0000 0.0000
- 9ALA CA 79 -1.480 -1.090 1.654 0.0000 0.0000 0.0000
- 9ALA HA 80 -1.551 -1.132 1.726 0.0000 0.0000 0.0000
- 9ALA CB 81 -1.453 -1.209 1.562 0.0000 0.0000 0.0000
- 9ALA HB1 82 -1.418 -1.169 1.468 0.0000 0.0000 0.0000
- 9ALA HB2 83 -1.544 -1.267 1.548 0.0000 0.0000 0.0000
- 9ALA HB3 84 -1.369 -1.265 1.604 0.0000 0.0000 0.0000
- 9ALA C 85 -1.362 -1.042 1.738 0.0000 0.0000 0.0000
- 9ALA O 86 -1.331 -0.924 1.749 0.0000 0.0000 0.0000
- 10ALA N 87 -1.300 -1.134 1.812 0.0000 0.0000 0.0000
- 10ALA H 88 -1.321 -1.232 1.801 0.0000 0.0000 0.0000
- 10ALA CA 89 -1.224 -1.112 1.933 0.0000 0.0000 0.0000
- 10ALA HA 90 -1.294 -1.080 2.011 0.0000 0.0000 0.0000
- 10ALA CB 91 -1.161 -1.244 1.978 0.0000 0.0000 0.0000
- 10ALA HB1 92 -1.095 -1.282 1.901 0.0000 0.0000 0.0000
- 10ALA HB2 93 -1.238 -1.317 2.004 0.0000 0.0000 0.0000
- 10ALA HB3 94 -1.102 -1.228 2.068 0.0000 0.0000 0.0000
- 10ALA C 95 -1.110 -1.013 1.918 0.0000 0.0000 0.0000
- 10ALA O 96 -1.106 -0.915 1.992 0.0000 0.0000 0.0000
- 11ALA N 97 -1.012 -1.036 1.830 0.0000 0.0000 0.0000
- 11ALA H 98 -1.020 -1.126 1.786 0.0000 0.0000 0.0000
- 11ALA CA 99 -0.893 -0.955 1.821 0.0000 0.0000 0.0000
- 11ALA HA 100 -0.924 -0.851 1.829 0.0000 0.0000 0.0000
- 11ALA CB 101 -0.796 -0.988 1.933 0.0000 0.0000 0.0000
- 11ALA HB1 102 -0.840 -0.953 2.026 0.0000 0.0000 0.0000
- 11ALA HB2 103 -0.699 -0.938 1.931 0.0000 0.0000 0.0000
- 11ALA HB3 104 -0.788 -1.097 1.934 0.0000 0.0000 0.0000
- 11ALA C 105 -0.826 -0.977 1.686 0.0000 0.0000 0.0000
- 11ALA O 106 -0.857 -1.075 1.619 0.0000 0.0000 0.0000
- 12ALA N 107 -0.737 -0.882 1.654 0.0000 0.0000 0.0000
- 12ALA H 108 -0.731 -0.797 1.708 0.0000 0.0000 0.0000
- 12ALA CA 109 -0.668 -0.882 1.526 0.0000 0.0000 0.0000
- 12ALA HA 110 -0.688 -0.975 1.472 0.0000 0.0000 0.0000
- 12ALA CB 111 -0.714 -0.770 1.434 0.0000 0.0000 0.0000
- 12ALA HB1 112 -0.820 -0.778 1.408 0.0000 0.0000 0.0000
- 12ALA HB2 113 -0.661 -0.775 1.339 0.0000 0.0000 0.0000
- 12ALA HB3 114 -0.704 -0.680 1.495 0.0000 0.0000 0.0000
- 12ALA C 115 -0.518 -0.881 1.550 0.0000 0.0000 0.0000
- 12ALA O 116 -0.467 -0.820 1.644 0.0000 0.0000 0.0000
- 13ALA N 117 -0.438 -0.946 1.465 0.0000 0.0000 0.0000
- 13ALA H 118 -0.481 -0.984 1.382 0.0000 0.0000 0.0000
- 13ALA CA 119 -0.293 -0.945 1.465 0.0000 0.0000 0.0000
- 13ALA HA 120 -0.266 -0.984 1.563 0.0000 0.0000 0.0000
- 13ALA CB 121 -0.244 -1.047 1.362 0.0000 0.0000 0.0000
- 13ALA HB1 122 -0.294 -1.019 1.270 0.0000 0.0000 0.0000
- 13ALA HB2 123 -0.270 -1.149 1.389 0.0000 0.0000 0.0000
- 13ALA HB3 124 -0.135 -1.043 1.354 0.0000 0.0000 0.0000
- 13ALA C 125 -0.235 -0.809 1.430 0.0000 0.0000 0.0000
- 13ALA O 126 -0.277 -0.744 1.335 0.0000 0.0000 0.0000
- 14NME N 127 -0.141 -0.764 1.514 0.0000 0.0000 0.0000
- 14NME H 128 -0.103 -0.828 1.583 0.0000 0.0000 0.0000
- 14NME CH3 129 -0.078 -0.635 1.493 0.0000 0.0000 0.0000
- 14NME HH31 130 0.019 -0.629 1.542 0.0000 0.0000 0.0000
- 14NME HH32 131 -0.149 -0.567 1.540 0.0000 0.0000 0.0000
- 14NME HH33 132 -0.074 -0.617 1.386 0.0000 0.0000 0.0000
+ 1ACE HH31 1 0.072 -1.016 1.887
+ 1ACE CH3 2 0.034 -0.916 1.912
+ 1ACE HH32 3 0.047 -0.887 2.016
+ 1ACE HH33 4 0.076 -0.831 1.859
+ 1ACE C 5 -0.114 -0.927 1.879
+ 1ACE O 6 -0.153 -0.971 1.772
+ 2ALA N 7 -0.207 -0.887 1.966
+ 2ALA H 8 -0.174 -0.848 2.054
+ 2ALA CA 9 -0.351 -0.899 1.962
+ 2ALA HA 10 -0.386 -0.927 1.862
+ 2ALA CB 11 -0.404 -0.998 2.065
+ 2ALA HB1 12 -0.513 -0.997 2.071
+ 2ALA HB2 13 -0.369 -0.963 2.162
+ 2ALA HB3 14 -0.383 -1.102 2.041
+ 2ALA C 15 -0.415 -0.763 1.989
+ 2ALA O 16 -0.426 -0.721 2.104
+ 3ALA N 17 -0.457 -0.692 1.884
+ 3ALA H 18 -0.441 -0.729 1.791
+ 3ALA CA 19 -0.533 -0.571 1.902
+ 3ALA HA 20 -0.500 -0.510 1.986
+ 3ALA CB 21 -0.523 -0.472 1.786
+ 3ALA HB1 22 -0.419 -0.451 1.763
+ 3ALA HB2 23 -0.578 -0.381 1.811
+ 3ALA HB3 24 -0.562 -0.527 1.700
+ 3ALA C 25 -0.679 -0.610 1.923
+ 3ALA O 26 -0.738 -0.682 1.843
+ 4ALA N 27 -0.739 -0.563 2.033
+ 4ALA H 28 -0.689 -0.521 2.110
+ 4ALA CA 29 -0.876 -0.594 2.068
+ 4ALA HA 30 -0.869 -0.702 2.075
+ 4ALA CB 31 -0.904 -0.534 2.205
+ 4ALA HB1 32 -0.894 -0.425 2.200
+ 4ALA HB2 33 -0.846 -0.575 2.288
+ 4ALA HB3 34 -1.011 -0.545 2.225
+ 4ALA C 35 -0.981 -0.556 1.964
+ 4ALA O 36 -0.972 -0.449 1.905
+ 5ALA N 37 -1.079 -0.644 1.941
+ 5ALA H 38 -1.079 -0.725 2.002
+ 5ALA CA 39 -1.186 -0.610 1.850
+ 5ALA HA 40 -1.191 -0.502 1.835
+ 5ALA CB 41 -1.156 -0.666 1.712
+ 5ALA HB1 42 -1.137 -0.773 1.712
+ 5ALA HB2 43 -1.076 -0.604 1.671
+ 5ALA HB3 44 -1.242 -0.650 1.647
+ 5ALA C 45 -1.320 -0.655 1.906
+ 5ALA O 46 -1.425 -0.600 1.872
+ 6ALA N 47 -1.327 -0.762 1.986
+ 6ALA H 48 -1.235 -0.803 1.999
+ 6ALA CA 49 -1.437 -0.819 2.061
+ 6ALA HA 50 -1.394 -0.918 2.075
+ 6ALA CB 51 -1.461 -0.751 2.195
+ 6ALA HB1 52 -1.559 -0.785 2.229
+ 6ALA HB2 53 -1.479 -0.645 2.179
+ 6ALA HB3 54 -1.380 -0.785 2.260
+ 6ALA C 55 -1.568 -0.833 1.985
+ 6ALA O 56 -1.607 -0.944 1.948
+ 7ALA N 57 -1.639 -0.722 1.964
+ 7ALA H 58 -1.578 -0.647 1.995
+ 7ALA CA 59 -1.749 -0.701 1.872
+ 7ALA HA 60 -1.832 -0.753 1.921
+ 7ALA CB 61 -1.783 -0.553 1.866
+ 7ALA HB1 62 -1.694 -0.489 1.865
+ 7ALA HB2 63 -1.848 -0.523 1.948
+ 7ALA HB3 64 -1.839 -0.521 1.778
+ 7ALA C 65 -1.729 -0.762 1.734
+ 7ALA O 66 -1.806 -0.843 1.684
+ 8ALA N 67 -1.617 -0.729 1.669
+ 8ALA H 68 -1.546 -0.681 1.722
+ 8ALA CA 69 -1.596 -0.760 1.528
+ 8ALA HA 70 -1.688 -0.790 1.479
+ 8ALA CB 71 -1.548 -0.635 1.455
+ 8ALA HB1 72 -1.619 -0.554 1.470
+ 8ALA HB2 73 -1.541 -0.657 1.349
+ 8ALA HB3 74 -1.448 -0.620 1.496
+ 8ALA C 75 -1.510 -0.884 1.515
+ 8ALA O 76 -1.406 -0.888 1.449
+ 9ALA N 77 -1.556 -0.985 1.590
+ 9ALA H 78 -1.649 -0.973 1.626
+ 9ALA CA 79 -1.480 -1.090 1.654
+ 9ALA HA 80 -1.551 -1.132 1.726
+ 9ALA CB 81 -1.453 -1.209 1.562
+ 9ALA HB1 82 -1.418 -1.169 1.468
+ 9ALA HB2 83 -1.544 -1.267 1.548
+ 9ALA HB3 84 -1.369 -1.265 1.604
+ 9ALA C 85 -1.362 -1.042 1.738
+ 9ALA O 86 -1.331 -0.924 1.749
+ 10ALA N 87 -1.300 -1.134 1.812
+ 10ALA H 88 -1.321 -1.232 1.801
+ 10ALA CA 89 -1.224 -1.112 1.933
+ 10ALA HA 90 -1.294 -1.080 2.011
+ 10ALA CB 91 -1.161 -1.244 1.978
+ 10ALA HB1 92 -1.095 -1.282 1.901
+ 10ALA HB2 93 -1.238 -1.317 2.004
+ 10ALA HB3 94 -1.102 -1.228 2.068
+ 10ALA C 95 -1.110 -1.013 1.918
+ 10ALA O 96 -1.106 -0.915 1.992
+ 11ALA N 97 -1.012 -1.036 1.830
+ 11ALA H 98 -1.020 -1.126 1.786
+ 11ALA CA 99 -0.893 -0.955 1.821
+ 11ALA HA 100 -0.924 -0.851 1.829
+ 11ALA CB 101 -0.796 -0.988 1.933
+ 11ALA HB1 102 -0.840 -0.953 2.026
+ 11ALA HB2 103 -0.699 -0.938 1.931
+ 11ALA HB3 104 -0.788 -1.097 1.934
+ 11ALA C 105 -0.826 -0.977 1.686
+ 11ALA O 106 -0.857 -1.075 1.619
+ 12ALA N 107 -0.737 -0.882 1.654
+ 12ALA H 108 -0.731 -0.797 1.708
+ 12ALA CA 109 -0.668 -0.882 1.526
+ 12ALA HA 110 -0.688 -0.975 1.472
+ 12ALA CB 111 -0.714 -0.770 1.434
+ 12ALA HB1 112 -0.820 -0.778 1.408
+ 12ALA HB2 113 -0.661 -0.775 1.339
+ 12ALA HB3 114 -0.704 -0.680 1.495
+ 12ALA C 115 -0.518 -0.881 1.550
+ 12ALA O 116 -0.467 -0.820 1.644
+ 13ALA N 117 -0.438 -0.946 1.465
+ 13ALA H 118 -0.481 -0.984 1.382
+ 13ALA CA 119 -0.293 -0.945 1.465
+ 13ALA HA 120 -0.266 -0.984 1.563
+ 13ALA CB 121 -0.244 -1.047 1.362
+ 13ALA HB1 122 -0.294 -1.019 1.270
+ 13ALA HB2 123 -0.270 -1.149 1.389
+ 13ALA HB3 124 -0.135 -1.043 1.354
+ 13ALA C 125 -0.235 -0.809 1.430
+ 13ALA O 126 -0.277 -0.744 1.335
+ 14NME N 127 -0.141 -0.764 1.514
+ 14NME H 128 -0.103 -0.828 1.583
+ 14NME CH3 129 -0.078 -0.635 1.493
+ 14NME HH31 130 0.019 -0.629 1.542
+ 14NME HH32 131 -0.149 -0.567 1.540
+ 14NME HH33 132 -0.074 -0.617 1.386
100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
diff --git a/regtest/basic/rt54/plumed.dat b/regtest/basic/rt54/plumed.dat
index 84814922ce5ed222946c12a772544ec3d5da2ded..9e23de5b281284a29630e3e40e00768915c41ee4 100644
--- a/regtest/basic/rt54/plumed.dat
+++ b/regtest/basic/rt54/plumed.dat
@@ -18,6 +18,10 @@ DUMPATOMS FILE=helix.ttt TYPE=gro
DUMPATOMS FILE=helix-nm.gro ATOMS=1-132 UNITS=nm
DUMPATOMS FILE=helix-nm.xyz ATOMS=1-132 UNITS=nm
+# this is to test precision
+DUMPATOMS FILE=helix-pr.gro ATOMS=1-132 PRECISION=12
+DUMPATOMS FILE=helix-pr.xyz ATOMS=1-132 PRECISION=12
+
# dump only a subset, plus a fictitious atom (without molinfo data)
c: COM ATOMS=1-6,127-132
DUMPATOMS FILE=helix-sub.xyz ATOMS=1-6,127-132,c
diff --git a/src/generic/DumpAtoms.cpp b/src/generic/DumpAtoms.cpp
index 48bb7a0b2866006ff103e6bcdd4abf1ac5689a42..318cd6266a1660e0e341b13ba971e9f21804e1c0 100644
--- a/src/generic/DumpAtoms.cpp
+++ b/src/generic/DumpAtoms.cpp
@@ -94,6 +94,9 @@ class DumpAtoms:
std::vector<unsigned> residueNumbers;
std::vector<std::string> residueNames;
std::string type;
+ std::string fmt_gro_pos;
+ std::string fmt_gro_box;
+ std::string fmt_xyz;
public:
DumpAtoms(const ActionOptions&);
~DumpAtoms();
@@ -113,6 +116,7 @@ void DumpAtoms::registerKeywords( Keywords& keys ){
keys.add("atoms", "ATOMS", "the atom indices whose positions you would like to print out");
keys.add("compulsory", "FILE", "file on which to output coordinates. .gro extension is automatically detected");
keys.add("compulsory", "UNITS","PLUMED","the units in which to print out the coordinates. PLUMED means internal PLUMED units");
+ keys.add("optional", "PRECISION","The number of digits in trajectory file");
keys.add("optional", "TYPE","file type, either xyz or gro, can override an automatically detected file extension");
}
@@ -141,6 +145,24 @@ DumpAtoms::DumpAtoms(const ActionOptions&ao):
type=ntype;
}
+ fmt_gro_pos="%8.3f";
+ fmt_gro_box="%12.7f";
+ fmt_xyz="%f";
+
+ string precision;
+ parse("PRECISION",precision);
+ if(precision.length()>0){
+ int p;
+ Tools::convert(precision,p);
+ log<<" with precision "<<p<<"\n";
+ string a,b;
+ Tools::convert(p+5,a);
+ Tools::convert(p,b);
+ fmt_gro_pos="%"+a+"."+b+"f";
+ fmt_gro_box=fmt_gro_pos;
+ fmt_xyz=fmt_gro_box;
+ }
+
parseAtomList("ATOMS",atoms);
std::string unitname; parse("UNITS",unitname);
@@ -175,9 +197,9 @@ void DumpAtoms::update(){
of.printf("%d\n",getNumberOfAtoms());
const Tensor & t(getPbc().getBox());
if(getPbc().isOrthorombic()){
- of.printf(" %f %f %f\n",lenunit*t(0,0),lenunit*t(1,1),lenunit*t(2,2));
+ of.printf((" "+fmt_xyz+" "+fmt_xyz+" "+fmt_xyz+"\n").c_str(),lenunit*t(0,0),lenunit*t(1,1),lenunit*t(2,2));
}else{
- of.printf(" %f %f %f %f %f %f %f %f %f\n",
+ of.printf((" "+fmt_xyz+" "+fmt_xyz+" "+fmt_xyz+" "+fmt_xyz+" "+fmt_xyz+" "+fmt_xyz+" "+fmt_xyz+" "+fmt_xyz+" "+fmt_xyz+"\n").c_str(),
lenunit*t(0,0),lenunit*t(0,1),lenunit*t(0,2),
lenunit*t(1,0),lenunit*t(1,1),lenunit*t(1,2),
lenunit*t(2,0),lenunit*t(2,1),lenunit*t(2,2)
@@ -187,7 +209,7 @@ void DumpAtoms::update(){
const char* defname="X";
const char* name=defname;
if(names.size()>0) if(names[i].length()>0) name=names[i].c_str();
- of.printf("%s %f %f %f\n",name,lenunit*getPosition(i)(0),lenunit*getPosition(i)(1),lenunit*getPosition(i)(2));
+ of.printf(("%s "+fmt_xyz+" "+fmt_xyz+" "+fmt_xyz+"\n").c_str(),name,lenunit*getPosition(i)(0),lenunit*getPosition(i)(1),lenunit*getPosition(i)(2));
}
} else if(type=="gro"){
const Tensor & t(getPbc().getBox());
@@ -201,10 +223,11 @@ void DumpAtoms::update(){
if(residueNumbers.size()>0) residueNumber=residueNumbers[i];
std::string resname="";
if(residueNames.size()>0) resname=residueNames[i];
- of.printf("%5u%-5s%5s%5d%8.3f%8.3f%8.3f%8.4f%8.4f%8.4f\n",residueNumber,resname.c_str(),name,getAbsoluteIndex(i).serial(),
- lenunit*getPosition(i)(0),lenunit*getPosition(i)(1),lenunit*getPosition(i)(2),0.0,0.0,0.0);
+ of.printf(("%5u%-5s%5s%5d"+fmt_gro_pos+fmt_gro_pos+fmt_gro_pos+"\n").c_str(),
+ residueNumber,resname.c_str(),name,getAbsoluteIndex(i).serial(),
+ lenunit*getPosition(i)(0),lenunit*getPosition(i)(1),lenunit*getPosition(i)(2));
}
- of.printf("%12.7f %12.7f %12.7f %12.7f %12.7f %12.7f %12.7f %12.7f %12.7f\n",
+ of.printf((fmt_gro_box+" "+fmt_gro_box+" "+fmt_gro_box+" "+fmt_gro_box+" "+fmt_gro_box+" "+fmt_gro_box+" "+fmt_gro_box+" "+fmt_gro_box+" "+fmt_gro_box+"\n").c_str(),
lenunit*t(0,0),lenunit*t(1,1),lenunit*t(2,2),
lenunit*t(0,1),lenunit*t(0,2),lenunit*t(1,0),
lenunit*t(1,2),lenunit*t(2,0),lenunit*t(2,1));