NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
614418 | 5u9v | 30214 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 -15.450 -0.064 -5.380 2 H2 GLY 1 2HT GLY 1 -13.835 -0.417 -4.990 3 H3 GLY 1 3HT GLY 1 -15.094 -1.350 -4.333 4 HA2 GLY 1 2HA GLY 1 -15.615 -2.320 -6.408 5 HA3 GLY 1 1HA GLY 1 -14.550 -1.180 -7.244 6 H VAL 2 H VAL 2 -14.393 -4.066 -7.332 7 HA VAL 2 HA VAL 2 -12.511 -5.243 -5.669 8 HB VAL 2 HB VAL 2 -13.162 -5.633 -8.587 9 HG11 VAL 2 1HG1 VAL 2 -11.054 -6.994 -6.907 10 HG12 VAL 2 2HG1 VAL 2 -10.895 -6.323 -8.531 11 HG13 VAL 2 3HG1 VAL 2 -11.811 -7.808 -8.276 12 HG21 VAL 2 1HG2 VAL 2 -14.786 -6.324 -6.812 13 HG22 VAL 2 2HG2 VAL 2 -13.546 -7.384 -6.139 14 HG23 VAL 2 3HG2 VAL 2 -14.182 -7.687 -7.756 15 H VAL 3 H VAL 3 -11.817 -3.792 -8.860 16 HA VAL 3 HA VAL 3 -9.048 -3.867 -8.729 17 HB VAL 3 HB VAL 3 -10.809 -1.769 -10.019 18 HG11 VAL 3 1HG1 VAL 3 -8.605 -0.864 -9.912 19 HG12 VAL 3 2HG1 VAL 3 -8.749 -1.558 -11.528 20 HG13 VAL 3 3HG1 VAL 3 -7.868 -2.426 -10.271 21 HG21 VAL 3 1HG2 VAL 3 -10.661 -3.133 -11.992 22 HG22 VAL 3 2HG2 VAL 3 -11.123 -4.210 -10.675 23 HG23 VAL 3 3HG2 VAL 3 -9.456 -4.184 -11.250 24 H ASP 4 H ASP 4 -11.292 -1.553 -7.319 25 HA ASP 4 HA ASP 4 -9.334 0.373 -6.554 26 HB2 ASP 4 2HB ASP 4 -11.862 0.705 -6.752 27 HB3 ASP 4 1HB ASP 4 -11.979 -0.080 -5.178 28 H ILE 5 H ILE 5 -10.891 -2.336 -4.860 29 HA ILE 5 HA ILE 5 -9.889 -1.948 -2.307 30 HB ILE 5 HB ILE 5 -10.479 -4.475 -3.849 31 HG12 ILE 5 2HG1 ILE 5 -11.871 -3.160 -1.495 32 HG13 ILE 5 1HG1 ILE 5 -12.328 -2.892 -3.176 33 HG21 ILE 5 1HG2 ILE 5 -9.499 -4.120 -1.012 34 HG22 ILE 5 2HG2 ILE 5 -8.880 -5.212 -2.251 35 HG23 ILE 5 3HG2 ILE 5 -10.443 -5.528 -1.500 36 HD11 ILE 5 1HD1 ILE 5 -12.519 -5.458 -3.349 37 HD12 ILE 5 2HD1 ILE 5 -13.775 -4.620 -2.439 38 HD13 ILE 5 3HD1 ILE 5 -12.477 -5.454 -1.586 39 H LEU 6 H LEU 6 -8.274 -3.233 -5.156 40 HA LEU 6 HA LEU 6 -5.986 -4.287 -3.879 41 HB2 LEU 6 2HB LEU 6 -5.877 -3.025 -6.608 42 HB3 LEU 6 1HB LEU 6 -5.052 -4.471 -6.017 43 HG LEU 6 HG LEU 6 -7.991 -4.158 -6.672 44 HD11 LEU 6 1HD1 LEU 6 -7.510 -6.031 -8.206 45 HD12 LEU 6 2HD1 LEU 6 -5.828 -6.036 -7.673 46 HD13 LEU 6 3HD1 LEU 6 -6.470 -4.650 -8.553 47 HD21 LEU 6 1HD2 LEU 6 -8.072 -5.458 -4.711 48 HD22 LEU 6 2HD2 LEU 6 -6.527 -6.237 -5.052 49 HD23 LEU 6 3HD2 LEU 6 -7.961 -6.677 -5.979 50 H LYS 7 H LYS 7 -6.639 -1.116 -5.316 51 HA LYS 7 HA LYS 7 -4.141 0.056 -4.855 52 HB2 LYS 7 2HB LYS 7 -6.654 1.667 -4.626 53 HB3 LYS 7 1HB LYS 7 -5.149 2.082 -5.408 54 HG2 LYS 7 2HG LYS 7 -6.876 -0.155 -6.464 55 HG3 LYS 7 1HG LYS 7 -7.192 1.520 -6.902 56 HD2 LYS 7 2HD LYS 7 -5.325 1.679 -8.204 57 HD3 LYS 7 1HD LYS 7 -4.373 0.678 -7.116 58 HE2 LYS 7 2HE LYS 7 -5.161 -1.328 -8.057 59 HE3 LYS 7 1HE LYS 7 -6.570 -0.543 -8.772 60 HZ1 LYS 7 1HZ LYS 7 -3.793 0.091 -9.585 61 HZ2 LYS 7 2HZ LYS 7 -5.235 0.508 -10.381 62 HZ3 LYS 7 3HZ LYS 7 -4.719 -1.110 -10.345 63 H GLY 8 H GLY 8 -7.110 0.277 -2.899 64 HA2 GLY 8 2HA GLY 8 -6.140 1.769 -0.781 65 HA3 GLY 8 1HA GLY 8 -7.407 0.549 -0.626 66 H ALA 9 H ALA 9 -5.511 -1.540 -1.600 67 HA ALA 9 HA ALA 9 -4.490 -2.322 0.972 68 HB1 ALA 9 1HB ALA 9 -3.809 -3.658 -1.641 69 HB2 ALA 9 2HB ALA 9 -5.398 -3.848 -0.899 70 HB3 ALA 9 3HB ALA 9 -3.954 -4.381 -0.038 71 H ALA 10 H ALA 10 -3.174 -0.913 -1.952 72 HA ALA 10 HA ALA 10 -0.446 -1.398 -1.566 73 HB1 ALA 10 1HB ALA 10 -1.447 -0.406 -3.620 74 HB2 ALA 10 2HB ALA 10 -0.061 0.506 -3.022 75 HB3 ALA 10 3HB ALA 10 -1.697 1.098 -2.734 76 H LYS 11 H LYS 11 -2.544 1.123 -0.237 77 HA LYS 11 HA LYS 11 -0.552 2.702 0.953 78 HB2 LYS 11 2HB LYS 11 -3.104 3.118 0.638 79 HB3 LYS 11 1HB LYS 11 -3.206 2.358 2.216 80 HG2 LYS 11 2HG LYS 11 -1.477 3.991 3.047 81 HG3 LYS 11 1HG LYS 11 -1.626 4.830 1.497 82 HD2 LYS 11 2HD LYS 11 -3.995 5.243 1.903 83 HD3 LYS 11 1HD LYS 11 -3.933 4.305 3.396 84 HE2 LYS 11 2HE LYS 11 -2.170 5.930 4.222 85 HE3 LYS 11 1HE LYS 11 -2.539 6.928 2.815 86 HZ1 LYS 11 1HZ LYS 11 -4.017 6.583 5.243 87 HZ2 LYS 11 2HZ LYS 11 -4.979 6.350 3.862 88 HZ3 LYS 11 3HZ LYS 11 -4.130 7.806 4.074 89 H ASP 12 H ASP 12 -2.476 0.029 2.279 90 HA ASP 12 HA ASP 12 -1.404 0.055 4.873 91 HB2 ASP 12 2HB ASP 12 -3.418 -1.237 4.158 92 HB3 ASP 12 1HB ASP 12 -2.346 -2.367 3.319 93 H ILE 13 H ILE 13 -0.343 -1.622 1.935 94 HA ILE 13 HA ILE 13 1.807 -3.028 3.173 95 HB ILE 13 HB ILE 13 1.432 -2.253 0.270 96 HG12 ILE 13 2HG1 ILE 13 0.790 -4.907 1.572 97 HG13 ILE 13 1HG1 ILE 13 -0.414 -3.619 1.449 98 HG21 ILE 13 1HG2 ILE 13 3.724 -2.927 0.733 99 HG22 ILE 13 2HG2 ILE 13 2.904 -4.244 -0.107 100 HG23 ILE 13 3HG2 ILE 13 3.162 -4.335 1.635 101 HD11 ILE 13 1HD1 ILE 13 -0.357 -3.644 -0.925 102 HD12 ILE 13 2HD1 ILE 13 -0.375 -5.344 -0.456 103 HD13 ILE 13 3HD1 ILE 13 1.135 -4.583 -0.958 104 H ALA 14 H ALA 14 1.729 -0.141 1.081 105 HA ALA 14 HA ALA 14 4.437 0.493 1.161 106 HB1 ALA 14 1HB ALA 14 1.982 2.231 0.916 107 HB2 ALA 14 2HB ALA 14 3.065 1.687 -0.365 108 HB3 ALA 14 3HB ALA 14 3.616 2.886 0.805 109 H GLY 15 H GLY 15 2.046 0.736 3.631 110 HA2 GLY 15 2HA GLY 15 2.973 2.794 5.243 111 HA3 GLY 15 1HA GLY 15 2.197 1.334 5.850 112 H HIS 16 H HIS 16 3.810 -0.664 5.625 113 HA HIS 16 HA HIS 16 5.920 -0.156 7.462 114 HB2 HIS 16 2HB HIS 16 6.421 -2.494 7.279 115 HB3 HIS 16 1HB HIS 16 4.666 -2.331 7.210 116 HD2 HIS 16 2HD HIS 16 3.529 -3.412 4.920 117 HE1 HIS 16 1HE HIS 16 7.081 -3.895 2.691 118 HE2 HIS 16 2HE HIS 16 4.583 -4.345 2.721 119 H LEU 17 H LEU 17 5.708 -0.010 4.033 120 HA LEU 17 HA LEU 17 8.475 -0.472 3.462 121 HB2 LEU 17 2HB LEU 17 6.377 -0.570 1.882 122 HB3 LEU 17 1HB LEU 17 6.673 1.164 1.700 123 HG LEU 17 HG LEU 17 7.804 -0.091 -0.072 124 HD11 LEU 17 1HD1 LEU 17 8.782 1.986 1.119 125 HD12 LEU 17 2HD1 LEU 17 9.854 1.044 0.084 126 HD13 LEU 17 3HD1 LEU 17 9.932 0.856 1.835 127 HD21 LEU 17 1HD2 LEU 17 9.789 -1.292 1.791 128 HD22 LEU 17 2HD2 LEU 17 9.137 -1.920 0.279 129 HD23 LEU 17 3HD2 LEU 17 8.200 -2.061 1.764 130 H ALA 18 H ALA 18 6.514 2.511 3.273 131 HA ALA 18 HA ALA 18 8.643 4.299 3.017 132 HB1 ALA 18 1HB ALA 18 6.165 4.780 2.723 133 HB2 ALA 18 2HB ALA 18 7.090 6.023 3.566 134 HB3 ALA 18 3HB ALA 18 6.072 4.909 4.479 135 H SER 19 H SER 19 7.672 2.449 5.711 136 HA SER 19 HA SER 19 8.490 4.137 7.828 137 HB2 SER 19 2HB SER 19 8.241 2.267 9.213 138 HB3 SER 19 1HB SER 19 7.128 1.928 7.890 139 HG SER 19 HG SER 19 8.266 0.131 7.863 140 H LYS 20 H LYS 20 10.206 1.693 5.914 141 HA LYS 20 HA LYS 20 12.636 1.904 7.376 142 HB2 LYS 20 2HB LYS 20 13.080 0.031 6.228 143 HB3 LYS 20 1HB LYS 20 11.581 0.258 5.335 144 HG2 LYS 20 2HG LYS 20 13.165 0.202 3.622 145 HG3 LYS 20 1HG LYS 20 12.980 1.927 3.903 146 HD2 LYS 20 2HD LYS 20 15.285 1.814 3.989 147 HD3 LYS 20 1HD LYS 20 14.939 1.455 5.680 148 HE2 LYS 20 2HE LYS 20 16.424 -0.264 5.039 149 HE3 LYS 20 1HE LYS 20 14.835 -1.021 4.924 150 HZ1 LYS 20 1HZ LYS 20 14.815 -0.509 2.555 151 HZ2 LYS 20 2HZ LYS 20 16.147 -1.481 2.963 152 HZ3 LYS 20 3HZ LYS 20 16.360 0.180 2.676 153 H VAL 21 H VAL 21 11.233 3.593 4.705 154 HA VAL 21 HA VAL 21 13.590 4.834 3.724 155 HB VAL 21 HB VAL 21 10.812 5.943 3.579 156 HG11 VAL 21 1HG1 VAL 21 11.675 6.803 1.393 157 HG12 VAL 21 2HG1 VAL 21 13.264 6.167 1.820 158 HG13 VAL 21 3HG1 VAL 21 12.541 7.454 2.785 159 HG21 VAL 21 1HG2 VAL 21 10.847 3.545 2.911 160 HG22 VAL 21 2HG2 VAL 21 12.131 3.911 1.759 161 HG23 VAL 21 3HG2 VAL 21 10.526 4.608 1.542 162 H MET 22 H MET 22 11.735 5.306 6.539 163 HA MET 22 HA MET 22 12.432 8.097 6.908 164 HB2 MET 22 2HB MET 22 10.312 7.222 7.794 165 HB3 MET 22 1HB MET 22 11.206 6.095 8.824 166 HG2 MET 22 2HG MET 22 11.813 9.039 8.972 167 HG3 MET 22 1HG MET 22 10.401 8.392 9.819 168 HE1 MET 22 1HE MET 22 12.595 9.927 11.027 169 HE2 MET 22 2HE MET 22 13.355 9.068 12.364 170 HE3 MET 22 3HE MET 22 11.599 9.181 12.284 171 HN1 NH2 23 HN1 NH2 23 13.212 5.143 8.844 172 HN2 NH2 23 HN2 NH2 23 14.735 5.706 9.338 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 -16.613 -2.047 -5.709 2 H2 GLY 1 2HT GLY 1 -16.037 -0.559 -5.124 3 H3 GLY 1 3HT GLY 1 -15.350 -2.015 -4.577 4 HA2 GLY 1 2HA GLY 1 -15.262 -1.742 -7.435 5 HA3 GLY 1 1HA GLY 1 -14.371 -0.474 -6.579 6 H VAL 2 H VAL 2 -14.517 -3.845 -7.369 7 HA VAL 2 HA VAL 2 -12.740 -4.995 -5.575 8 HB VAL 2 HB VAL 2 -13.301 -5.520 -8.490 9 HG11 VAL 2 1HG1 VAL 2 -12.035 -7.720 -8.011 10 HG12 VAL 2 2HG1 VAL 2 -11.294 -6.850 -6.668 11 HG13 VAL 2 3HG1 VAL 2 -11.064 -6.281 -8.321 12 HG21 VAL 2 1HG2 VAL 2 -13.865 -7.042 -5.924 13 HG22 VAL 2 2HG2 VAL 2 -14.348 -7.553 -7.542 14 HG23 VAL 2 3HG2 VAL 2 -15.038 -6.092 -6.835 15 H VAL 3 H VAL 3 -11.885 -3.737 -8.807 16 HA VAL 3 HA VAL 3 -9.130 -3.908 -8.586 17 HB VAL 3 HB VAL 3 -10.773 -1.810 -10.023 18 HG11 VAL 3 1HG1 VAL 3 -8.657 -1.741 -11.473 19 HG12 VAL 3 2HG1 VAL 3 -7.847 -2.564 -10.140 20 HG13 VAL 3 3HG1 VAL 3 -8.549 -0.966 -9.892 21 HG21 VAL 3 1HG2 VAL 3 -10.360 -3.294 -11.981 22 HG22 VAL 3 2HG2 VAL 3 -11.286 -4.107 -10.719 23 HG23 VAL 3 3HG2 VAL 3 -9.567 -4.451 -10.911 24 H ASP 4 H ASP 4 -11.315 -1.441 -7.346 25 HA ASP 4 HA ASP 4 -9.296 0.435 -6.612 26 HB2 ASP 4 2HB ASP 4 -11.737 0.960 -6.904 27 HB3 ASP 4 1HB ASP 4 -12.041 0.116 -5.385 28 H ILE 5 H ILE 5 -11.019 -2.118 -4.840 29 HA ILE 5 HA ILE 5 -10.064 -1.659 -2.281 30 HB ILE 5 HB ILE 5 -10.737 -4.227 -3.720 31 HG12 ILE 5 2HG1 ILE 5 -12.142 -2.721 -1.491 32 HG13 ILE 5 1HG1 ILE 5 -12.522 -2.517 -3.202 33 HG21 ILE 5 1HG2 ILE 5 -9.845 -3.768 -0.868 34 HG22 ILE 5 2HG2 ILE 5 -9.234 -4.952 -2.023 35 HG23 ILE 5 3HG2 ILE 5 -10.838 -5.154 -1.321 36 HD11 ILE 5 1HD1 ILE 5 -12.839 -5.080 -3.247 37 HD12 ILE 5 2HD1 ILE 5 -14.086 -4.128 -2.444 38 HD13 ILE 5 3HD1 ILE 5 -12.873 -4.977 -1.487 39 H LEU 6 H LEU 6 -8.441 -3.162 -5.019 40 HA LEU 6 HA LEU 6 -6.252 -4.277 -3.631 41 HB2 LEU 6 2HB LEU 6 -5.989 -3.133 -6.400 42 HB3 LEU 6 1HB LEU 6 -5.264 -4.596 -5.728 43 HG LEU 6 HG LEU 6 -8.160 -4.152 -6.488 44 HD11 LEU 6 1HD1 LEU 6 -6.039 -6.135 -7.367 45 HD12 LEU 6 2HD1 LEU 6 -6.671 -4.794 -8.321 46 HD13 LEU 6 3HD1 LEU 6 -7.718 -6.150 -7.906 47 HD21 LEU 6 1HD2 LEU 6 -8.366 -5.372 -4.483 48 HD22 LEU 6 2HD2 LEU 6 -6.859 -6.247 -4.752 49 HD23 LEU 6 3HD2 LEU 6 -8.290 -6.640 -5.704 50 H LYS 7 H LYS 7 -6.632 -1.156 -5.270 51 HA LYS 7 HA LYS 7 -4.127 -0.074 -4.827 52 HB2 LYS 7 2HB LYS 7 -6.581 1.623 -4.527 53 HB3 LYS 7 1HB LYS 7 -5.074 2.009 -5.320 54 HG2 LYS 7 2HG LYS 7 -6.869 -0.170 -6.385 55 HG3 LYS 7 1HG LYS 7 -7.148 1.516 -6.798 56 HD2 LYS 7 2HD LYS 7 -5.307 1.639 -8.133 57 HD3 LYS 7 1HD LYS 7 -4.351 0.627 -7.056 58 HE2 LYS 7 2HE LYS 7 -5.531 -1.379 -7.883 59 HE3 LYS 7 1HE LYS 7 -6.482 -0.366 -8.969 60 HZ1 LYS 7 1HZ LYS 7 -3.524 -0.380 -9.018 61 HZ2 LYS 7 2HZ LYS 7 -4.594 0.199 -10.203 62 HZ3 LYS 7 3HZ LYS 7 -4.442 -1.472 -9.935 63 H GLY 8 H GLY 8 -7.000 0.214 -2.757 64 HA2 GLY 8 2HA GLY 8 -5.954 1.710 -0.687 65 HA3 GLY 8 1HA GLY 8 -7.197 0.475 -0.470 66 H ALA 9 H ALA 9 -5.288 -1.586 -1.524 67 HA ALA 9 HA ALA 9 -4.173 -2.348 1.013 68 HB1 ALA 9 1HB ALA 9 -5.096 -3.882 -0.854 69 HB2 ALA 9 2HB ALA 9 -3.637 -4.394 -0.007 70 HB3 ALA 9 3HB ALA 9 -3.517 -3.670 -1.610 71 H ALA 10 H ALA 10 -2.937 -0.991 -1.988 72 HA ALA 10 HA ALA 10 -0.202 -1.394 -1.641 73 HB1 ALA 10 1HB ALA 10 -1.274 -0.439 -3.681 74 HB2 ALA 10 2HB ALA 10 0.119 0.493 -3.131 75 HB3 ALA 10 3HB ALA 10 -1.514 1.073 -2.804 76 H LYS 11 H LYS 11 -2.311 1.124 -0.318 77 HA LYS 11 HA LYS 11 -0.318 2.736 0.831 78 HB2 LYS 11 2HB LYS 11 -2.874 3.132 0.528 79 HB3 LYS 11 1HB LYS 11 -2.962 2.392 2.116 80 HG2 LYS 11 2HG LYS 11 -1.306 4.045 2.964 81 HG3 LYS 11 1HG LYS 11 -1.335 4.832 1.379 82 HD2 LYS 11 2HD LYS 11 -3.626 5.453 1.622 83 HD3 LYS 11 1HD LYS 11 -3.844 4.386 3.010 84 HE2 LYS 11 2HE LYS 11 -1.896 6.700 3.030 85 HE3 LYS 11 1HE LYS 11 -3.573 6.867 3.551 86 HZ1 LYS 11 1HZ LYS 11 -3.028 6.002 5.498 87 HZ2 LYS 11 2HZ LYS 11 -1.407 5.872 5.006 88 HZ3 LYS 11 3HZ LYS 11 -2.482 4.581 4.751 89 H ASP 12 H ASP 12 -2.250 0.111 2.247 90 HA ASP 12 HA ASP 12 -1.108 0.182 4.813 91 HB2 ASP 12 2HB ASP 12 -3.188 -1.088 4.036 92 HB3 ASP 12 1HB ASP 12 -2.075 -2.330 3.448 93 H ILE 13 H ILE 13 -0.243 -1.744 1.949 94 HA ILE 13 HA ILE 13 1.908 -3.138 3.165 95 HB ILE 13 HB ILE 13 1.476 -2.467 0.244 96 HG12 ILE 13 2HG1 ILE 13 0.775 -5.044 1.662 97 HG13 ILE 13 1HG1 ILE 13 -0.381 -3.712 1.548 98 HG21 ILE 13 1HG2 ILE 13 3.751 -3.215 0.659 99 HG22 ILE 13 2HG2 ILE 13 2.854 -4.538 -0.086 100 HG23 ILE 13 3HG2 ILE 13 3.169 -4.554 1.649 101 HD11 ILE 13 1HD1 ILE 13 -0.669 -5.338 -0.304 102 HD12 ILE 13 2HD1 ILE 13 0.992 -5.033 -0.812 103 HD13 ILE 13 3HD1 ILE 13 -0.207 -3.743 -0.899 104 H ALA 14 H ALA 14 1.889 -0.335 0.954 105 HA ALA 14 HA ALA 14 4.656 0.162 1.039 106 HB1 ALA 14 1HB ALA 14 3.987 2.496 0.328 107 HB2 ALA 14 2HB ALA 14 2.307 1.988 0.507 108 HB3 ALA 14 3HB ALA 14 3.346 1.197 -0.678 109 H GLY 15 H GLY 15 2.159 0.765 3.335 110 HA2 GLY 15 2HA GLY 15 3.160 2.960 4.746 111 HA3 GLY 15 1HA GLY 15 2.186 1.673 5.447 112 H HIS 16 H HIS 16 3.688 -0.514 5.425 113 HA HIS 16 HA HIS 16 5.630 -0.014 7.456 114 HB2 HIS 16 2HB HIS 16 5.962 -2.394 7.483 115 HB3 HIS 16 1HB HIS 16 4.239 -2.101 7.256 116 HD2 HIS 16 2HD HIS 16 3.230 -3.499 5.105 117 HE1 HIS 16 1HE HIS 16 6.836 -4.023 2.973 118 HE2 HIS 16 2HE HIS 16 4.353 -4.556 2.999 119 H LEU 17 H LEU 17 5.756 -0.060 4.034 120 HA LEU 17 HA LEU 17 8.500 -0.819 3.745 121 HB2 LEU 17 2HB LEU 17 6.570 -0.798 1.974 122 HB3 LEU 17 1HB LEU 17 7.020 0.899 1.769 123 HG LEU 17 HG LEU 17 8.195 -0.516 0.147 124 HD11 LEU 17 1HD1 LEU 17 10.295 0.486 0.428 125 HD12 LEU 17 2HD1 LEU 17 10.228 0.358 2.185 126 HD13 LEU 17 3HD1 LEU 17 9.220 1.539 1.347 127 HD21 LEU 17 1HD2 LEU 17 9.373 -2.409 0.685 128 HD22 LEU 17 2HD2 LEU 17 8.285 -2.430 2.071 129 HD23 LEU 17 3HD2 LEU 17 9.911 -1.766 2.236 130 H ALA 18 H ALA 18 6.902 2.333 3.220 131 HA ALA 18 HA ALA 18 9.220 3.878 3.114 132 HB1 ALA 18 1HB ALA 18 6.409 4.558 3.983 133 HB2 ALA 18 2HB ALA 18 7.168 4.871 2.422 134 HB3 ALA 18 3HB ALA 18 7.685 5.768 3.850 135 H SER 19 H SER 19 7.877 2.229 5.757 136 HA SER 19 HA SER 19 8.460 3.876 7.934 137 HB2 SER 19 2HB SER 19 8.299 1.947 9.269 138 HB3 SER 19 1HB SER 19 7.290 1.575 7.873 139 HG SER 19 HG SER 19 9.964 0.764 8.375 140 H LYS 20 H LYS 20 10.561 1.738 6.062 141 HA LYS 20 HA LYS 20 12.831 2.227 7.765 142 HB2 LYS 20 2HB LYS 20 13.504 0.285 6.878 143 HB3 LYS 20 1HB LYS 20 12.105 0.298 5.813 144 HG2 LYS 20 2HG LYS 20 13.895 0.214 4.305 145 HG3 LYS 20 1HG LYS 20 13.515 1.930 4.362 146 HD2 LYS 20 2HD LYS 20 15.776 2.113 4.741 147 HD3 LYS 20 1HD LYS 20 15.284 1.812 6.407 148 HE2 LYS 20 2HE LYS 20 17.030 0.259 6.018 149 HE3 LYS 20 1HE LYS 20 15.554 -0.690 5.849 150 HZ1 LYS 20 1HZ LYS 20 17.512 0.048 3.857 151 HZ2 LYS 20 2HZ LYS 20 15.899 0.241 3.359 152 HZ3 LYS 20 3HZ LYS 20 16.450 -1.273 3.898 153 H VAL 21 H VAL 21 11.484 3.502 4.847 154 HA VAL 21 HA VAL 21 13.869 4.971 4.111 155 HB VAL 21 HB VAL 21 11.122 5.421 3.019 156 HG11 VAL 21 1HG1 VAL 21 13.911 5.636 1.861 157 HG12 VAL 21 2HG1 VAL 21 12.877 6.986 2.329 158 HG13 VAL 21 3HG1 VAL 21 12.421 5.954 0.974 159 HG21 VAL 21 1HG2 VAL 21 13.091 3.215 2.378 160 HG22 VAL 21 2HG2 VAL 21 11.763 3.667 1.309 161 HG23 VAL 21 3HG2 VAL 21 11.422 3.030 2.918 162 H MET 22 H MET 22 11.235 5.417 6.219 163 HA MET 22 HA MET 22 11.848 8.309 6.430 164 HB2 MET 22 2HB MET 22 9.574 7.884 5.527 165 HB3 MET 22 1HB MET 22 9.195 6.958 6.988 166 HG2 MET 22 2HG MET 22 9.479 8.898 8.386 167 HG3 MET 22 1HG MET 22 10.138 9.839 7.039 168 HE1 MET 22 1HE MET 22 8.557 11.836 7.007 169 HE2 MET 22 2HE MET 22 8.141 11.192 8.593 170 HE3 MET 22 3HE MET 22 6.862 11.710 7.497 171 HN1 NH2 23 HN1 NH2 23 11.126 5.306 8.197 172 HN2 NH2 23 HN2 NH2 23 11.599 5.898 9.716 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 -15.199 0.855 -5.715 2 H2 GLY 1 2HT GLY 1 -14.217 -0.209 -4.825 3 H3 GLY 1 3HT GLY 1 -15.829 -0.621 -5.168 4 HA2 GLY 1 2HA GLY 1 -15.404 -1.222 -7.299 5 HA3 GLY 1 1HA GLY 1 -14.068 -0.067 -7.435 6 H VAL 2 H VAL 2 -14.486 -3.160 -7.720 7 HA VAL 2 HA VAL 2 -12.954 -4.536 -5.854 8 HB VAL 2 HB VAL 2 -13.404 -4.947 -8.807 9 HG11 VAL 2 1HG1 VAL 2 -11.672 -6.519 -6.899 10 HG12 VAL 2 2HG1 VAL 2 -11.287 -5.967 -8.529 11 HG13 VAL 2 3HG1 VAL 2 -12.431 -7.287 -8.292 12 HG21 VAL 2 1HG2 VAL 2 -14.828 -6.747 -8.041 13 HG22 VAL 2 2HG2 VAL 2 -15.244 -5.307 -7.111 14 HG23 VAL 2 3HG2 VAL 2 -14.246 -6.568 -6.385 15 H VAL 3 H VAL 3 -11.799 -3.337 -9.009 16 HA VAL 3 HA VAL 3 -9.094 -3.808 -8.650 17 HB VAL 3 HB VAL 3 -10.421 -1.532 -10.141 18 HG11 VAL 3 1HG1 VAL 3 -8.122 -0.954 -9.907 19 HG12 VAL 3 2HG1 VAL 3 -8.246 -1.710 -11.495 20 HG13 VAL 3 3HG1 VAL 3 -7.601 -2.623 -10.131 21 HG21 VAL 3 1HG2 VAL 3 -9.528 -4.313 -10.964 22 HG22 VAL 3 2HG2 VAL 3 -10.046 -3.063 -12.095 23 HG23 VAL 3 3HG2 VAL 3 -11.184 -3.711 -10.914 24 H ASP 4 H ASP 4 -11.059 -1.118 -7.506 25 HA ASP 4 HA ASP 4 -8.887 0.516 -6.644 26 HB2 ASP 4 2HB ASP 4 -11.135 1.425 -7.050 27 HB3 ASP 4 1HB ASP 4 -11.764 0.473 -5.707 28 H ILE 5 H ILE 5 -10.983 -1.832 -4.993 29 HA ILE 5 HA ILE 5 -10.130 -1.483 -2.381 30 HB ILE 5 HB ILE 5 -11.027 -3.940 -3.884 31 HG12 ILE 5 2HG1 ILE 5 -12.323 -2.378 -1.633 32 HG13 ILE 5 1HG1 ILE 5 -12.602 -2.022 -3.337 33 HG21 ILE 5 1HG2 ILE 5 -9.670 -4.883 -2.173 34 HG22 ILE 5 2HG2 ILE 5 -11.303 -4.902 -1.509 35 HG23 ILE 5 3HG2 ILE 5 -10.159 -3.659 -1.002 36 HD11 ILE 5 1HD1 ILE 5 -13.676 -4.081 -3.718 37 HD12 ILE 5 2HD1 ILE 5 -14.265 -3.614 -2.125 38 HD13 ILE 5 3HD1 ILE 5 -12.985 -4.817 -2.273 39 H LEU 6 H LEU 6 -8.509 -3.095 -5.046 40 HA LEU 6 HA LEU 6 -6.534 -4.452 -3.542 41 HB2 LEU 6 2HB LEU 6 -5.998 -3.345 -6.287 42 HB3 LEU 6 1HB LEU 6 -5.474 -4.878 -5.582 43 HG LEU 6 HG LEU 6 -8.261 -4.126 -6.496 44 HD11 LEU 6 1HD1 LEU 6 -6.314 -6.316 -7.280 45 HD12 LEU 6 2HD1 LEU 6 -6.750 -4.913 -8.254 46 HD13 LEU 6 3HD1 LEU 6 -7.954 -6.155 -7.907 47 HD21 LEU 6 1HD2 LEU 6 -8.691 -6.590 -5.745 48 HD22 LEU 6 2HD2 LEU 6 -8.701 -5.326 -4.517 49 HD23 LEU 6 3HD2 LEU 6 -7.280 -6.352 -4.714 50 H LYS 7 H LYS 7 -6.512 -1.308 -5.181 51 HA LYS 7 HA LYS 7 -3.936 -0.487 -4.598 52 HB2 LYS 7 2HB LYS 7 -6.216 1.452 -4.434 53 HB3 LYS 7 1HB LYS 7 -4.635 1.679 -5.139 54 HG2 LYS 7 2HG LYS 7 -6.576 -0.310 -6.310 55 HG3 LYS 7 1HG LYS 7 -6.664 1.395 -6.732 56 HD2 LYS 7 2HD LYS 7 -4.740 1.336 -7.955 57 HD3 LYS 7 1HD LYS 7 -3.961 0.222 -6.838 58 HE2 LYS 7 2HE LYS 7 -5.296 -1.643 -7.755 59 HE3 LYS 7 1HE LYS 7 -6.072 -0.526 -8.878 60 HZ1 LYS 7 1HZ LYS 7 -3.142 -0.663 -8.810 61 HZ2 LYS 7 2HZ LYS 7 -4.176 -0.285 -10.103 62 HZ3 LYS 7 3HZ LYS 7 -3.995 -1.898 -9.599 63 H GLY 8 H GLY 8 -6.877 0.169 -2.707 64 HA2 GLY 8 2HA GLY 8 -5.768 1.519 -0.570 65 HA3 GLY 8 1HA GLY 8 -7.181 0.468 -0.436 66 H ALA 9 H ALA 9 -5.510 -1.838 -1.379 67 HA ALA 9 HA ALA 9 -4.679 -2.743 1.218 68 HB1 ALA 9 1HB ALA 9 -5.665 -4.114 -0.771 69 HB2 ALA 9 2HB ALA 9 -4.416 -4.844 0.237 70 HB3 ALA 9 3HB ALA 9 -3.995 -4.168 -1.337 71 H ALA 10 H ALA 10 -3.091 -1.470 -1.635 72 HA ALA 10 HA ALA 10 -0.439 -2.247 -0.942 73 HB1 ALA 10 1HB ALA 10 -1.172 -1.540 -3.232 74 HB2 ALA 10 2HB ALA 10 0.271 -0.703 -2.659 75 HB3 ALA 10 3HB ALA 10 -1.293 0.113 -2.632 76 H LYS 11 H LYS 11 -2.482 0.482 -0.122 77 HA LYS 11 HA LYS 11 -0.572 2.262 0.856 78 HB2 LYS 11 2HB LYS 11 -3.128 2.531 0.543 79 HB3 LYS 11 1HB LYS 11 -3.197 1.925 2.187 80 HG2 LYS 11 2HG LYS 11 -1.707 3.713 2.955 81 HG3 LYS 11 1HG LYS 11 -1.579 4.320 1.298 82 HD2 LYS 11 2HD LYS 11 -4.030 4.710 1.272 83 HD3 LYS 11 1HD LYS 11 -4.123 4.160 2.946 84 HE2 LYS 11 2HE LYS 11 -4.008 6.666 2.697 85 HE3 LYS 11 1HE LYS 11 -2.723 5.984 3.693 86 HZ1 LYS 11 1HZ LYS 11 -1.969 7.633 2.012 87 HZ2 LYS 11 2HZ LYS 11 -2.431 6.542 0.795 88 HZ3 LYS 11 3HZ LYS 11 -1.206 6.125 1.896 89 H ASP 12 H ASP 12 -2.140 -0.485 2.414 90 HA ASP 12 HA ASP 12 -1.030 -0.001 5.003 91 HB2 ASP 12 2HB ASP 12 -3.077 -1.430 4.414 92 HB3 ASP 12 1HB ASP 12 -1.921 -2.687 3.955 93 H ILE 13 H ILE 13 -0.160 -2.165 2.317 94 HA ILE 13 HA ILE 13 2.073 -3.355 3.600 95 HB ILE 13 HB ILE 13 1.627 -2.977 0.630 96 HG12 ILE 13 2HG1 ILE 13 0.801 -5.333 2.345 97 HG13 ILE 13 1HG1 ILE 13 -0.308 -4.019 1.932 98 HG21 ILE 13 1HG2 ILE 13 3.018 -4.974 0.429 99 HG22 ILE 13 2HG2 ILE 13 3.143 -5.095 2.184 100 HG23 ILE 13 3HG2 ILE 13 3.895 -3.743 1.337 101 HD11 ILE 13 1HD1 ILE 13 -0.322 -6.085 0.392 102 HD12 ILE 13 2HD1 ILE 13 1.239 -5.509 -0.191 103 HD13 ILE 13 3HD1 ILE 13 -0.199 -4.508 -0.385 104 H ALA 14 H ALA 14 1.886 -0.780 1.139 105 HA ALA 14 HA ALA 14 4.617 -0.162 1.062 106 HB1 ALA 14 1HB ALA 14 3.990 1.854 -0.045 107 HB2 ALA 14 2HB ALA 14 2.391 1.847 0.700 108 HB3 ALA 14 3HB ALA 14 2.800 0.642 -0.522 109 H GLY 15 H GLY 15 2.231 0.505 3.457 110 HA2 GLY 15 2HA GLY 15 3.214 2.827 4.660 111 HA3 GLY 15 1HA GLY 15 2.347 1.548 5.504 112 H HIS 16 H HIS 16 3.865 -0.539 5.687 113 HA HIS 16 HA HIS 16 5.940 0.186 7.485 114 HB2 HIS 16 2HB HIS 16 6.400 -2.197 7.622 115 HB3 HIS 16 1HB HIS 16 4.656 -1.939 7.622 116 HD2 HIS 16 2HD HIS 16 3.396 -3.530 5.762 117 HE1 HIS 16 1HE HIS 16 6.652 -4.101 3.135 118 HE2 HIS 16 2HE HIS 16 4.225 -4.702 3.581 119 H LEU 17 H LEU 17 5.856 -0.111 4.081 120 HA LEU 17 HA LEU 17 8.605 -0.822 3.687 121 HB2 LEU 17 2HB LEU 17 6.550 -1.003 2.049 122 HB3 LEU 17 1HB LEU 17 6.980 0.664 1.645 123 HG LEU 17 HG LEU 17 8.079 -0.895 0.113 124 HD11 LEU 17 1HD1 LEU 17 10.194 0.154 1.982 125 HD12 LEU 17 2HD1 LEU 17 9.169 1.249 1.052 126 HD13 LEU 17 3HD1 LEU 17 10.211 0.094 0.221 127 HD21 LEU 17 1HD2 LEU 17 9.900 -1.972 2.203 128 HD22 LEU 17 2HD2 LEU 17 9.243 -2.755 0.767 129 HD23 LEU 17 3HD2 LEU 17 8.257 -2.615 2.221 130 H ALA 18 H ALA 18 6.850 2.215 3.001 131 HA ALA 18 HA ALA 18 9.145 3.800 2.663 132 HB1 ALA 18 1HB ALA 18 7.650 5.709 2.886 133 HB2 ALA 18 2HB ALA 18 6.414 4.687 3.620 134 HB3 ALA 18 3HB ALA 18 6.862 4.453 1.931 135 H SER 19 H SER 19 7.726 2.497 5.480 136 HA SER 19 HA SER 19 8.365 4.425 7.416 137 HB2 SER 19 2HB SER 19 8.059 2.712 9.017 138 HB3 SER 19 1HB SER 19 6.999 2.271 7.682 139 HG SER 19 HG SER 19 9.667 1.349 7.857 140 H LYS 20 H LYS 20 10.343 2.064 5.751 141 HA LYS 20 HA LYS 20 12.591 2.317 7.500 142 HB2 LYS 20 2HB LYS 20 13.192 0.439 6.432 143 HB3 LYS 20 1HB LYS 20 11.807 0.629 5.365 144 HG2 LYS 20 2HG LYS 20 13.570 0.606 3.842 145 HG3 LYS 20 1HG LYS 20 13.345 2.329 4.105 146 HD2 LYS 20 2HD LYS 20 15.638 2.185 4.425 147 HD3 LYS 20 1HD LYS 20 15.089 1.909 6.077 148 HE2 LYS 20 2HE LYS 20 15.185 -0.533 5.697 149 HE3 LYS 20 1HE LYS 20 15.755 -0.249 4.052 150 HZ1 LYS 20 1HZ LYS 20 17.798 0.302 4.760 151 HZ2 LYS 20 2HZ LYS 20 17.369 -0.585 6.144 152 HZ3 LYS 20 3HZ LYS 20 17.235 1.109 6.142 153 H VAL 21 H VAL 21 11.392 3.951 4.709 154 HA VAL 21 HA VAL 21 13.873 5.399 4.240 155 HB VAL 21 HB VAL 21 11.171 5.527 2.946 156 HG11 VAL 21 1HG1 VAL 21 13.682 7.130 2.481 157 HG12 VAL 21 2HG1 VAL 21 12.043 7.729 2.739 158 HG13 VAL 21 3HG1 VAL 21 12.461 6.925 1.225 159 HG21 VAL 21 1HG2 VAL 21 12.509 4.636 0.997 160 HG22 VAL 21 2HG2 VAL 21 12.377 3.523 2.357 161 HG23 VAL 21 3HG2 VAL 21 13.866 4.437 2.106 162 H MET 22 H MET 22 11.015 5.720 6.078 163 HA MET 22 HA MET 22 11.180 8.629 6.276 164 HB2 MET 22 2HB MET 22 8.992 7.320 6.220 165 HB3 MET 22 1HB MET 22 9.382 6.794 7.863 166 HG2 MET 22 2HG MET 22 8.030 8.738 8.134 167 HG3 MET 22 1HG MET 22 9.690 9.281 8.419 168 HE1 MET 22 1HE MET 22 7.057 8.589 5.771 169 HE2 MET 22 2HE MET 22 6.920 10.110 4.893 170 HE3 MET 22 3HE MET 22 6.457 10.037 6.591 171 HN1 NH2 23 HN1 NH2 23 10.911 6.158 8.888 172 HN2 NH2 23 HN2 NH2 23 12.085 6.879 9.880 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 -15.129 -3.842 -4.879 2 H2 GLY 1 2HT GLY 1 -16.130 -3.859 -6.252 3 H3 GLY 1 3HT GLY 1 -16.163 -2.534 -5.188 4 HA2 GLY 1 2HA GLY 1 -14.772 -2.565 -7.460 5 HA3 GLY 1 1HA GLY 1 -14.332 -1.589 -6.050 6 H VAL 2 H VAL 2 -13.838 -4.766 -7.561 7 HA VAL 2 HA VAL 2 -11.821 -5.771 -5.944 8 HB VAL 2 HB VAL 2 -12.384 -6.051 -8.892 9 HG11 VAL 2 1HG1 VAL 2 -10.728 -8.024 -8.700 10 HG12 VAL 2 2HG1 VAL 2 -10.105 -7.192 -7.275 11 HG13 VAL 2 3HG1 VAL 2 -10.044 -6.405 -8.852 12 HG21 VAL 2 1HG2 VAL 2 -13.179 -8.228 -8.251 13 HG22 VAL 2 2HG2 VAL 2 -13.859 -7.084 -7.094 14 HG23 VAL 2 3HG2 VAL 2 -12.474 -8.077 -6.641 15 H VAL 3 H VAL 3 -11.317 -4.019 -9.016 16 HA VAL 3 HA VAL 3 -8.567 -3.700 -8.834 17 HB VAL 3 HB VAL 3 -10.609 -1.811 -10.030 18 HG11 VAL 3 1HG1 VAL 3 -7.596 -1.979 -10.235 19 HG12 VAL 3 2HG1 VAL 3 -8.581 -0.578 -9.816 20 HG13 VAL 3 3HG1 VAL 3 -8.577 -1.189 -11.470 21 HG21 VAL 3 1HG2 VAL 3 -10.526 -4.220 -10.850 22 HG22 VAL 3 2HG2 VAL 3 -8.872 -3.901 -11.372 23 HG23 VAL 3 3HG2 VAL 3 -10.210 -2.999 -12.084 24 H ASP 4 H ASP 4 -11.142 -1.826 -7.332 25 HA ASP 4 HA ASP 4 -9.489 0.307 -6.409 26 HB2 ASP 4 2HB ASP 4 -11.965 0.452 -6.630 27 HB3 ASP 4 1HB ASP 4 -12.122 -0.661 -5.272 28 H ILE 5 H ILE 5 -10.659 -2.701 -4.918 29 HA ILE 5 HA ILE 5 -9.755 -2.337 -2.325 30 HB ILE 5 HB ILE 5 -9.958 -4.815 -4.035 31 HG12 ILE 5 2HG1 ILE 5 -11.543 -3.880 -1.624 32 HG13 ILE 5 1HG1 ILE 5 -12.020 -3.558 -3.290 33 HG21 ILE 5 1HG2 ILE 5 -9.065 -4.512 -1.163 34 HG22 ILE 5 2HG2 ILE 5 -8.281 -5.418 -2.458 35 HG23 ILE 5 3HG2 ILE 5 -9.789 -6.006 -1.759 36 HD11 ILE 5 1HD1 ILE 5 -11.830 -6.112 -3.639 37 HD12 ILE 5 2HD1 ILE 5 -13.213 -5.521 -2.718 38 HD13 ILE 5 3HD1 ILE 5 -11.828 -6.218 -1.879 39 H LEU 6 H LEU 6 -7.937 -3.149 -5.218 40 HA LEU 6 HA LEU 6 -5.536 -3.951 -3.953 41 HB2 LEU 6 2HB LEU 6 -5.567 -2.531 -6.602 42 HB3 LEU 6 1HB LEU 6 -4.564 -3.886 -6.077 43 HG LEU 6 HG LEU 6 -7.509 -3.932 -6.774 44 HD11 LEU 6 1HD1 LEU 6 -6.780 -5.582 -8.436 45 HD12 LEU 6 2HD1 LEU 6 -5.121 -5.466 -7.847 46 HD13 LEU 6 3HD1 LEU 6 -5.875 -4.082 -8.640 47 HD21 LEU 6 1HD2 LEU 6 -7.125 -6.468 -6.246 48 HD22 LEU 6 2HD2 LEU 6 -7.443 -5.363 -4.911 49 HD23 LEU 6 3HD2 LEU 6 -5.793 -5.884 -5.250 50 H LYS 7 H LYS 7 -6.632 -0.831 -5.224 51 HA LYS 7 HA LYS 7 -4.338 0.662 -4.641 52 HB2 LYS 7 2HB LYS 7 -7.062 1.876 -4.384 53 HB3 LYS 7 1HB LYS 7 -5.621 2.548 -5.105 54 HG2 LYS 7 2HG LYS 7 -6.990 0.153 -6.326 55 HG3 LYS 7 1HG LYS 7 -7.536 1.789 -6.678 56 HD2 LYS 7 2HD LYS 7 -5.692 2.286 -7.926 57 HD3 LYS 7 1HD LYS 7 -4.622 1.374 -6.869 58 HE2 LYS 7 2HE LYS 7 -5.137 -0.682 -7.916 59 HE3 LYS 7 1HE LYS 7 -6.588 -0.026 -8.675 60 HZ1 LYS 7 1HZ LYS 7 -5.415 0.761 -10.378 61 HZ2 LYS 7 2HZ LYS 7 -4.150 -0.239 -9.843 62 HZ3 LYS 7 3HZ LYS 7 -4.199 1.396 -9.381 63 H GLY 8 H GLY 8 -7.341 0.333 -2.752 64 HA2 GLY 8 2HA GLY 8 -6.643 1.821 -0.529 65 HA3 GLY 8 1HA GLY 8 -7.713 0.418 -0.475 66 H ALA 9 H ALA 9 -5.523 -1.313 -1.507 67 HA ALA 9 HA ALA 9 -4.429 -2.069 1.042 68 HB1 ALA 9 1HB ALA 9 -3.544 -3.150 -1.628 69 HB2 ALA 9 2HB ALA 9 -5.079 -3.623 -0.901 70 HB3 ALA 9 3HB ALA 9 -3.564 -3.967 -0.065 71 H ALA 10 H ALA 10 -3.249 -0.431 -1.842 72 HA ALA 10 HA ALA 10 -0.498 -0.501 -1.332 73 HB1 ALA 10 1HB ALA 10 -0.351 1.470 -2.772 74 HB2 ALA 10 2HB ALA 10 -2.085 1.741 -2.605 75 HB3 ALA 10 3HB ALA 10 -1.494 0.309 -3.447 76 H LYS 11 H LYS 11 -3.040 1.504 0.015 77 HA LYS 11 HA LYS 11 -1.401 3.460 1.222 78 HB2 LYS 11 2HB LYS 11 -3.983 3.381 0.844 79 HB3 LYS 11 1HB LYS 11 -3.969 2.622 2.426 80 HG2 LYS 11 2HG LYS 11 -2.714 4.533 3.353 81 HG3 LYS 11 1HG LYS 11 -2.749 5.309 1.762 82 HD2 LYS 11 2HD LYS 11 -5.200 5.370 1.823 83 HD3 LYS 11 1HD LYS 11 -5.199 4.541 3.380 84 HE2 LYS 11 2HE LYS 11 -3.756 7.162 2.949 85 HE3 LYS 11 1HE LYS 11 -5.441 7.088 3.464 86 HZ1 LYS 11 1HZ LYS 11 -3.042 6.538 4.952 87 HZ2 LYS 11 2HZ LYS 11 -4.229 5.334 5.120 88 HZ3 LYS 11 3HZ LYS 11 -4.591 6.949 5.507 89 H ASP 12 H ASP 12 -2.679 0.372 2.368 90 HA ASP 12 HA ASP 12 -1.581 0.652 5.009 91 HB2 ASP 12 2HB ASP 12 -3.586 -0.751 4.429 92 HB3 ASP 12 1HB ASP 12 -2.487 -1.883 3.628 93 H ILE 13 H ILE 13 -0.746 -1.350 2.176 94 HA ILE 13 HA ILE 13 1.520 -2.596 3.228 95 HB ILE 13 HB ILE 13 1.036 -1.734 0.365 96 HG12 ILE 13 2HG1 ILE 13 0.487 -4.447 1.584 97 HG13 ILE 13 1HG1 ILE 13 -0.739 -3.174 1.588 98 HG21 ILE 13 1HG2 ILE 13 2.878 -3.777 1.634 99 HG22 ILE 13 2HG2 ILE 13 3.338 -2.383 0.657 100 HG23 ILE 13 3HG2 ILE 13 2.504 -3.746 -0.089 101 HD11 ILE 13 1HD1 ILE 13 0.690 -4.098 -0.918 102 HD12 ILE 13 2HD1 ILE 13 -0.719 -3.041 -0.816 103 HD13 ILE 13 3HD1 ILE 13 -0.863 -4.746 -0.391 104 H ALA 14 H ALA 14 1.354 0.359 1.232 105 HA ALA 14 HA ALA 14 4.036 1.027 1.191 106 HB1 ALA 14 1HB ALA 14 1.621 2.841 1.350 107 HB2 ALA 14 2HB ALA 14 2.435 2.280 -0.110 108 HB3 ALA 14 3HB ALA 14 3.254 3.399 0.981 109 H GLY 15 H GLY 15 1.848 1.060 3.851 110 HA2 GLY 15 2HA GLY 15 2.948 3.001 5.527 111 HA3 GLY 15 1HA GLY 15 2.137 1.540 6.082 112 H HIS 16 H HIS 16 3.642 -0.512 5.621 113 HA HIS 16 HA HIS 16 5.888 -0.194 7.348 114 HB2 HIS 16 2HB HIS 16 6.187 -2.531 7.139 115 HB3 HIS 16 1HB HIS 16 4.446 -2.286 7.019 116 HD2 HIS 16 2HD HIS 16 3.329 -3.198 4.635 117 HE1 HIS 16 1HE HIS 16 6.943 -3.920 2.574 118 HE2 HIS 16 2HE HIS 16 4.418 -4.172 2.471 119 H LEU 17 H LEU 17 5.456 0.103 3.950 120 HA LEU 17 HA LEU 17 8.114 -0.516 3.132 121 HB2 LEU 17 2HB LEU 17 5.898 -0.277 1.731 122 HB3 LEU 17 1HB LEU 17 6.363 1.427 1.654 123 HG LEU 17 HG LEU 17 7.220 0.218 -0.293 124 HD11 LEU 17 1HD1 LEU 17 8.502 2.076 0.965 125 HD12 LEU 17 2HD1 LEU 17 9.392 1.115 -0.216 126 HD13 LEU 17 3HD1 LEU 17 9.568 0.779 1.505 127 HD21 LEU 17 1HD2 LEU 17 7.535 -1.930 1.354 128 HD22 LEU 17 2HD2 LEU 17 9.194 -1.334 1.300 129 HD23 LEU 17 3HD2 LEU 17 8.362 -1.764 -0.193 130 H ALA 18 H ALA 18 6.449 2.640 3.342 131 HA ALA 18 HA ALA 18 8.697 4.254 3.037 132 HB1 ALA 18 1HB ALA 18 6.502 5.229 2.928 133 HB2 ALA 18 2HB ALA 18 7.347 5.982 4.281 134 HB3 ALA 18 3HB ALA 18 6.140 4.730 4.580 135 H SER 19 H SER 19 7.847 2.224 5.637 136 HA SER 19 HA SER 19 8.995 3.608 7.812 137 HB2 SER 19 2HB SER 19 8.710 1.642 9.014 138 HB3 SER 19 1HB SER 19 7.529 1.433 7.725 139 HG SER 19 HG SER 19 10.203 0.471 7.694 140 H LYS 20 H LYS 20 10.361 1.451 5.376 141 HA LYS 20 HA LYS 20 12.924 1.267 6.599 142 HB2 LYS 20 2HB LYS 20 13.137 -0.385 5.098 143 HB3 LYS 20 1HB LYS 20 11.582 0.073 4.416 144 HG2 LYS 20 2HG LYS 20 12.992 0.260 2.567 145 HG3 LYS 20 1HG LYS 20 12.956 1.910 3.172 146 HD2 LYS 20 2HD LYS 20 15.248 1.638 2.972 147 HD3 LYS 20 1HD LYS 20 15.032 1.044 4.618 148 HE2 LYS 20 2HE LYS 20 16.329 -0.629 3.555 149 HE3 LYS 20 1HE LYS 20 14.689 -1.275 3.546 150 HZ1 LYS 20 1HZ LYS 20 14.420 -0.785 1.310 151 HZ2 LYS 20 2HZ LYS 20 16.023 -1.343 1.386 152 HZ3 LYS 20 3HZ LYS 20 15.704 0.323 1.283 153 H VAL 21 H VAL 21 11.392 3.477 4.422 154 HA VAL 21 HA VAL 21 13.716 4.765 3.434 155 HB VAL 21 HB VAL 21 10.926 5.819 3.767 156 HG11 VAL 21 1HG1 VAL 21 13.341 6.836 2.267 157 HG12 VAL 21 2HG1 VAL 21 12.383 7.691 3.475 158 HG13 VAL 21 3HG1 VAL 21 11.701 7.357 1.884 159 HG21 VAL 21 1HG2 VAL 21 11.185 3.764 2.349 160 HG22 VAL 21 2HG2 VAL 21 12.308 4.668 1.333 161 HG23 VAL 21 3HG2 VAL 21 10.622 5.171 1.447 162 H MET 22 H MET 22 12.189 4.786 6.475 163 HA MET 22 HA MET 22 13.776 7.149 7.298 164 HB2 MET 22 2HB MET 22 11.288 7.537 7.286 165 HB3 MET 22 1HB MET 22 11.147 6.269 8.511 166 HG2 MET 22 2HG MET 22 11.244 8.385 9.669 167 HG3 MET 22 1HG MET 22 12.794 7.571 9.920 168 HE1 MET 22 1HE MET 22 11.861 11.431 7.739 169 HE2 MET 22 2HE MET 22 11.035 10.648 9.084 170 HE3 MET 22 3HE MET 22 10.891 9.977 7.462 171 HN1 NH2 23 HN1 NH2 23 12.119 4.296 8.777 172 HN2 NH2 23 HN2 NH2 23 13.403 3.925 9.823 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 -16.473 -1.262 -4.309 2 H2 GLY 1 2HT GLY 1 -15.834 -2.835 -4.370 3 H3 GLY 1 3HT GLY 1 -16.903 -2.302 -5.578 4 HA2 GLY 1 2HA GLY 1 -15.279 -1.414 -6.775 5 HA3 GLY 1 1HA GLY 1 -14.662 -0.559 -5.353 6 H VAL 2 H VAL 2 -14.806 -3.817 -6.797 7 HA VAL 2 HA VAL 2 -12.862 -5.081 -5.272 8 HB VAL 2 HB VAL 2 -13.702 -5.400 -8.150 9 HG11 VAL 2 1HG1 VAL 2 -12.411 -7.626 -7.944 10 HG12 VAL 2 2HG1 VAL 2 -11.544 -6.852 -6.618 11 HG13 VAL 2 3HG1 VAL 2 -11.464 -6.169 -8.242 12 HG21 VAL 2 1HG2 VAL 2 -14.818 -7.359 -7.318 13 HG22 VAL 2 2HG2 VAL 2 -15.194 -6.053 -6.195 14 HG23 VAL 2 3HG2 VAL 2 -13.977 -7.258 -5.773 15 H VAL 3 H VAL 3 -12.329 -3.602 -8.478 16 HA VAL 3 HA VAL 3 -9.562 -3.758 -8.529 17 HB VAL 3 HB VAL 3 -11.354 -1.608 -9.680 18 HG11 VAL 3 1HG1 VAL 3 -9.379 -1.417 -11.312 19 HG12 VAL 3 2HG1 VAL 3 -8.439 -2.289 -10.100 20 HG13 VAL 3 3HG1 VAL 3 -9.147 -0.721 -9.708 21 HG21 VAL 3 1HG2 VAL 3 -11.061 -2.974 -11.761 22 HG22 VAL 3 2HG2 VAL 3 -11.915 -3.841 -10.484 23 HG23 VAL 3 3HG2 VAL 3 -10.215 -4.187 -10.801 24 H ASP 4 H ASP 4 -11.639 -1.402 -6.946 25 HA ASP 4 HA ASP 4 -9.580 0.457 -6.288 26 HB2 ASP 4 2HB ASP 4 -12.099 0.871 -6.314 27 HB3 ASP 4 1HB ASP 4 -12.144 0.054 -4.753 28 H ILE 5 H ILE 5 -11.113 -2.219 -4.518 29 HA ILE 5 HA ILE 5 -9.916 -1.893 -2.041 30 HB ILE 5 HB ILE 5 -10.750 -4.370 -3.549 31 HG12 ILE 5 2HG1 ILE 5 -11.867 -3.052 -1.056 32 HG13 ILE 5 1HG1 ILE 5 -12.434 -2.681 -2.685 33 HG21 ILE 5 1HG2 ILE 5 -9.507 -4.107 -0.806 34 HG22 ILE 5 2HG2 ILE 5 -9.064 -5.217 -2.103 35 HG23 ILE 5 3HG2 ILE 5 -10.570 -5.453 -1.216 36 HD11 ILE 5 1HD1 ILE 5 -13.273 -4.870 -3.015 37 HD12 ILE 5 2HD1 ILE 5 -13.737 -4.474 -1.361 38 HD13 ILE 5 3HD1 ILE 5 -12.349 -5.520 -1.662 39 H LEU 6 H LEU 6 -8.560 -3.249 -4.998 40 HA LEU 6 HA LEU 6 -6.249 -4.422 -3.897 41 HB2 LEU 6 2HB LEU 6 -6.242 -3.069 -6.585 42 HB3 LEU 6 1HB LEU 6 -5.438 -4.562 -6.091 43 HG LEU 6 HG LEU 6 -8.394 -4.124 -6.560 44 HD11 LEU 6 1HD1 LEU 6 -6.948 -4.611 -8.528 45 HD12 LEU 6 2HD1 LEU 6 -8.094 -5.913 -8.204 46 HD13 LEU 6 3HD1 LEU 6 -6.403 -6.088 -7.734 47 HD21 LEU 6 1HD2 LEU 6 -6.918 -6.311 -5.102 48 HD22 LEU 6 2HD2 LEU 6 -8.427 -6.660 -5.946 49 HD23 LEU 6 3HD2 LEU 6 -8.403 -5.483 -4.635 50 H LYS 7 H LYS 7 -6.801 -1.190 -5.239 51 HA LYS 7 HA LYS 7 -4.269 -0.108 -4.930 52 HB2 LYS 7 2HB LYS 7 -6.680 1.548 -4.289 53 HB3 LYS 7 1HB LYS 7 -5.266 1.980 -5.218 54 HG2 LYS 7 2HG LYS 7 -7.193 -0.124 -6.202 55 HG3 LYS 7 1HG LYS 7 -7.479 1.587 -6.495 56 HD2 LYS 7 2HD LYS 7 -5.790 1.750 -8.014 57 HD3 LYS 7 1HD LYS 7 -4.742 0.682 -7.091 58 HE2 LYS 7 2HE LYS 7 -5.738 -1.269 -7.991 59 HE3 LYS 7 1HE LYS 7 -7.144 -0.379 -8.572 60 HZ1 LYS 7 1HZ LYS 7 -4.773 -0.929 -9.936 61 HZ2 LYS 7 2HZ LYS 7 -4.835 0.751 -9.688 62 HZ3 LYS 7 3HZ LYS 7 -6.110 -0.040 -10.482 63 H GLY 8 H GLY 8 -6.944 -0.177 -2.606 64 HA2 GLY 8 2HA GLY 8 -5.833 1.235 -0.509 65 HA3 GLY 8 1HA GLY 8 -6.941 -0.123 -0.297 66 H ALA 9 H ALA 9 -4.980 -1.899 -1.709 67 HA ALA 9 HA ALA 9 -3.564 -2.779 0.633 68 HB1 ALA 9 1HB ALA 9 -2.918 -4.654 -0.655 69 HB2 ALA 9 2HB ALA 9 -3.108 -3.779 -2.174 70 HB3 ALA 9 3HB ALA 9 -4.530 -4.243 -1.241 71 H ALA 10 H ALA 10 -2.660 -1.275 -2.452 72 HA ALA 10 HA ALA 10 0.121 -1.371 -2.183 73 HB1 ALA 10 1HB ALA 10 0.180 0.478 -3.767 74 HB2 ALA 10 2HB ALA 10 -1.515 0.842 -3.444 75 HB3 ALA 10 3HB ALA 10 -1.074 -0.668 -4.243 76 H LYS 11 H LYS 11 -2.248 0.779 -0.743 77 HA LYS 11 HA LYS 11 -0.453 2.758 0.181 78 HB2 LYS 11 2HB LYS 11 -3.092 2.665 0.024 79 HB3 LYS 11 1HB LYS 11 -2.910 2.137 1.685 80 HG2 LYS 11 2HG LYS 11 -1.781 4.687 0.510 81 HG3 LYS 11 1HG LYS 11 -3.157 4.575 1.618 82 HD2 LYS 11 2HD LYS 11 -1.497 3.349 3.201 83 HD3 LYS 11 1HD LYS 11 -0.241 4.043 2.175 84 HE2 LYS 11 2HE LYS 11 -2.263 5.468 3.896 85 HE3 LYS 11 1HE LYS 11 -0.510 5.663 3.862 86 HZ1 LYS 11 1HZ LYS 11 -1.578 7.507 2.763 87 HZ2 LYS 11 2HZ LYS 11 -2.405 6.455 1.717 88 HZ3 LYS 11 3HZ LYS 11 -0.714 6.593 1.626 89 H ASP 12 H ASP 12 -1.970 0.001 1.841 90 HA ASP 12 HA ASP 12 -0.633 0.333 4.299 91 HB2 ASP 12 2HB ASP 12 -2.648 -1.117 3.883 92 HB3 ASP 12 1HB ASP 12 -1.571 -2.284 3.106 93 H ILE 13 H ILE 13 0.079 -1.900 1.605 94 HA ILE 13 HA ILE 13 2.407 -3.034 2.613 95 HB ILE 13 HB ILE 13 1.793 -2.351 -0.273 96 HG12 ILE 13 2HG1 ILE 13 1.338 -4.992 1.129 97 HG13 ILE 13 1HG1 ILE 13 0.093 -3.737 1.108 98 HG21 ILE 13 1HG2 ILE 13 3.758 -4.225 1.059 99 HG22 ILE 13 2HG2 ILE 13 4.094 -2.958 -0.121 100 HG23 ILE 13 3HG2 ILE 13 3.255 -4.427 -0.620 101 HD11 ILE 13 1HD1 ILE 13 1.430 -4.806 -1.391 102 HD12 ILE 13 2HD1 ILE 13 0.025 -3.745 -1.304 103 HD13 ILE 13 3HD1 ILE 13 -0.100 -5.420 -0.766 104 H ALA 14 H ALA 14 2.127 -0.206 0.454 105 HA ALA 14 HA ALA 14 4.911 0.433 0.606 106 HB1 ALA 14 1HB ALA 14 4.300 2.470 -0.580 107 HB2 ALA 14 2HB ALA 14 2.595 2.200 -0.219 108 HB3 ALA 14 3HB ALA 14 3.455 1.096 -1.294 109 H GLY 15 H GLY 15 2.169 1.095 2.594 110 HA2 GLY 15 2HA GLY 15 3.011 3.499 3.823 111 HA3 GLY 15 1HA GLY 15 1.893 2.328 4.518 112 H HIS 16 H HIS 16 3.170 0.164 5.108 113 HA HIS 16 HA HIS 16 4.882 0.844 7.268 114 HB2 HIS 16 2HB HIS 16 5.058 -1.522 7.652 115 HB3 HIS 16 1HB HIS 16 3.403 -1.189 7.143 116 HD2 HIS 16 2HD HIS 16 2.612 -2.745 4.999 117 HE1 HIS 16 1HE HIS 16 6.445 -3.841 3.610 118 HE2 HIS 16 2HE HIS 16 3.951 -4.165 3.264 119 H LEU 17 H LEU 17 5.469 0.409 3.941 120 HA LEU 17 HA LEU 17 8.151 -0.570 4.100 121 HB2 LEU 17 2HB LEU 17 6.454 -0.535 2.083 122 HB3 LEU 17 1HB LEU 17 7.143 1.066 1.794 123 HG LEU 17 HG LEU 17 8.345 -0.617 0.493 124 HD11 LEU 17 1HD1 LEU 17 10.141 0.190 2.771 125 HD12 LEU 17 2HD1 LEU 17 9.461 1.390 1.670 126 HD13 LEU 17 3HD1 LEU 17 10.510 0.116 1.049 127 HD21 LEU 17 1HD2 LEU 17 9.124 -2.597 1.335 128 HD22 LEU 17 2HD2 LEU 17 7.892 -2.331 2.566 129 HD23 LEU 17 3HD2 LEU 17 9.568 -1.886 2.886 130 H ALA 18 H ALA 18 6.910 2.631 3.110 131 HA ALA 18 HA ALA 18 9.331 3.993 3.159 132 HB1 ALA 18 1HB ALA 18 6.545 5.002 3.769 133 HB2 ALA 18 2HB ALA 18 7.353 5.005 2.202 134 HB3 ALA 18 3HB ALA 18 7.942 6.045 3.498 135 H SER 19 H SER 19 7.547 2.712 5.765 136 HA SER 19 HA SER 19 8.193 4.506 7.837 137 HB2 SER 19 2HB SER 19 7.440 2.851 9.304 138 HB3 SER 19 1HB SER 19 6.586 2.457 7.815 139 HG SER 19 HG SER 19 8.547 1.084 9.158 140 H LYS 20 H LYS 20 9.898 1.647 6.597 141 HA LYS 20 HA LYS 20 12.030 1.813 8.470 142 HB2 LYS 20 2HB LYS 20 12.423 -0.244 7.671 143 HB3 LYS 20 1HB LYS 20 11.161 0.012 6.471 144 HG2 LYS 20 2HG LYS 20 13.046 -0.472 5.161 145 HG3 LYS 20 1HG LYS 20 12.980 1.284 5.143 146 HD2 LYS 20 2HD LYS 20 15.164 1.160 5.800 147 HD3 LYS 20 1HD LYS 20 14.486 0.841 7.396 148 HE2 LYS 20 2HE LYS 20 14.584 -1.580 6.968 149 HE3 LYS 20 1HE LYS 20 15.231 -1.277 5.356 150 HZ1 LYS 20 1HZ LYS 20 17.248 -0.751 6.163 151 HZ2 LYS 20 2HZ LYS 20 16.755 -1.692 7.489 152 HZ3 LYS 20 3HZ LYS 20 16.634 0.001 7.554 153 H VAL 21 H VAL 21 11.373 3.243 5.392 154 HA VAL 21 HA VAL 21 14.040 4.082 4.815 155 HB VAL 21 HB VAL 21 11.398 5.092 3.812 156 HG11 VAL 21 1HG1 VAL 21 12.994 6.828 3.438 157 HG12 VAL 21 2HG1 VAL 21 12.873 5.950 1.913 158 HG13 VAL 21 3HG1 VAL 21 14.244 5.670 2.986 159 HG21 VAL 21 1HG2 VAL 21 13.426 3.130 2.714 160 HG22 VAL 21 2HG2 VAL 21 12.063 3.759 1.787 161 HG23 VAL 21 3HG2 VAL 21 11.774 2.769 3.218 162 H MET 22 H MET 22 11.637 5.172 6.968 163 HA MET 22 HA MET 22 12.894 7.835 7.207 164 HB2 MET 22 2HB MET 22 10.450 7.819 6.875 165 HB3 MET 22 1HB MET 22 10.266 6.822 8.326 166 HG2 MET 22 2HG MET 22 11.060 8.561 9.747 167 HG3 MET 22 1HG MET 22 11.678 9.498 8.379 168 HE1 MET 22 1HE MET 22 10.584 11.378 7.468 169 HE2 MET 22 2HE MET 22 8.897 11.411 6.959 170 HE3 MET 22 3HE MET 22 9.975 10.166 6.332 171 HN1 NH2 23 HN1 NH2 23 11.603 5.256 9.389 172 HN2 NH2 23 HN2 NH2 23 12.743 5.537 10.615 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 -15.246 -1.871 -4.397 2 H2 GLY 1 2HT GLY 1 -16.296 -0.906 -5.319 3 H3 GLY 1 3HT GLY 1 -14.671 -0.452 -5.123 4 HA2 GLY 1 2HA GLY 1 -15.808 -2.622 -6.768 5 HA3 GLY 1 1HA GLY 1 -14.680 -1.343 -7.244 6 H VAL 2 H VAL 2 -14.604 -4.421 -7.220 7 HA VAL 2 HA VAL 2 -12.750 -5.405 -5.400 8 HB VAL 2 HB VAL 2 -13.327 -6.100 -8.278 9 HG11 VAL 2 1HG1 VAL 2 -11.984 -8.228 -7.693 10 HG12 VAL 2 2HG1 VAL 2 -11.263 -7.261 -6.406 11 HG13 VAL 2 3HG1 VAL 2 -11.067 -6.775 -8.089 12 HG21 VAL 2 1HG2 VAL 2 -14.438 -8.002 -7.309 13 HG22 VAL 2 2HG2 VAL 2 -14.967 -6.588 -6.399 14 HG23 VAL 2 3HG2 VAL 2 -13.749 -7.669 -5.720 15 H VAL 3 H VAL 3 -12.006 -4.297 -8.711 16 HA VAL 3 HA VAL 3 -9.241 -4.325 -8.527 17 HB VAL 3 HB VAL 3 -10.995 -2.404 -10.076 18 HG11 VAL 3 1HG1 VAL 3 -8.055 -3.108 -10.273 19 HG12 VAL 3 2HG1 VAL 3 -8.761 -1.514 -10.005 20 HG13 VAL 3 3HG1 VAL 3 -8.945 -2.308 -11.569 21 HG21 VAL 3 1HG2 VAL 3 -10.363 -4.067 -11.937 22 HG22 VAL 3 2HG2 VAL 3 -11.532 -4.628 -10.742 23 HG23 VAL 3 3HG2 VAL 3 -9.849 -5.146 -10.640 24 H ASP 4 H ASP 4 -11.523 -1.867 -7.449 25 HA ASP 4 HA ASP 4 -9.582 0.141 -6.878 26 HB2 ASP 4 2HB ASP 4 -12.021 0.574 -7.188 27 HB3 ASP 4 1HB ASP 4 -12.319 -0.217 -5.641 28 H ILE 5 H ILE 5 -11.151 -2.371 -4.916 29 HA ILE 5 HA ILE 5 -10.204 -1.659 -2.403 30 HB ILE 5 HB ILE 5 -10.818 -4.341 -3.639 31 HG12 ILE 5 2HG1 ILE 5 -12.182 -2.814 -1.405 32 HG13 ILE 5 1HG1 ILE 5 -12.616 -2.618 -3.103 33 HG21 ILE 5 1HG2 ILE 5 -9.799 -3.689 -0.870 34 HG22 ILE 5 2HG2 ILE 5 -9.229 -4.936 -1.979 35 HG23 ILE 5 3HG2 ILE 5 -10.789 -5.116 -1.178 36 HD11 ILE 5 1HD1 ILE 5 -13.467 -4.780 -3.278 37 HD12 ILE 5 2HD1 ILE 5 -13.905 -4.373 -1.618 38 HD13 ILE 5 3HD1 ILE 5 -12.495 -5.383 -1.935 39 H LEU 6 H LEU 6 -8.571 -3.435 -4.992 40 HA LEU 6 HA LEU 6 -6.325 -4.323 -3.575 41 HB2 LEU 6 2HB LEU 6 -6.117 -3.317 -6.405 42 HB3 LEU 6 1HB LEU 6 -5.316 -4.702 -5.657 43 HG LEU 6 HG LEU 6 -8.229 -4.448 -6.435 44 HD11 LEU 6 1HD1 LEU 6 -6.622 -5.132 -8.193 45 HD12 LEU 6 2HD1 LEU 6 -7.717 -6.448 -7.770 46 HD13 LEU 6 3HD1 LEU 6 -6.064 -6.446 -7.158 47 HD21 LEU 6 1HD2 LEU 6 -6.834 -6.373 -4.576 48 HD22 LEU 6 2HD2 LEU 6 -8.258 -6.874 -5.487 49 HD23 LEU 6 3HD2 LEU 6 -8.370 -5.537 -4.346 50 H LYS 7 H LYS 7 -6.840 -1.297 -5.349 51 HA LYS 7 HA LYS 7 -4.371 -0.103 -4.986 52 HB2 LYS 7 2HB LYS 7 -6.875 1.522 -4.719 53 HB3 LYS 7 1HB LYS 7 -5.396 1.917 -5.560 54 HG2 LYS 7 2HG LYS 7 -7.143 -0.361 -6.488 55 HG3 LYS 7 1HG LYS 7 -7.481 1.297 -6.971 56 HD2 LYS 7 2HD LYS 7 -5.668 1.413 -8.347 57 HD3 LYS 7 1HD LYS 7 -4.664 0.477 -7.245 58 HE2 LYS 7 2HE LYS 7 -5.814 -1.595 -7.959 59 HE3 LYS 7 1HE LYS 7 -6.793 -0.652 -9.081 60 HZ1 LYS 7 1HZ LYS 7 -4.724 -1.765 -9.999 61 HZ2 LYS 7 2HZ LYS 7 -3.839 -0.585 -9.158 62 HZ3 LYS 7 3HZ LYS 7 -4.937 -0.123 -10.368 63 H GLY 8 H GLY 8 -7.222 0.100 -2.883 64 HA2 GLY 8 2HA GLY 8 -6.247 1.734 -0.882 65 HA3 GLY 8 1HA GLY 8 -7.404 0.429 -0.604 66 H ALA 9 H ALA 9 -5.376 -1.536 -1.624 67 HA ALA 9 HA ALA 9 -4.190 -2.150 0.920 68 HB1 ALA 9 1HB ALA 9 -5.019 -3.800 -0.880 69 HB2 ALA 9 2HB ALA 9 -3.504 -4.177 -0.061 70 HB3 ALA 9 3HB ALA 9 -3.480 -3.489 -1.684 71 H ALA 10 H ALA 10 -3.041 -0.858 -2.156 72 HA ALA 10 HA ALA 10 -0.287 -1.044 -1.774 73 HB1 ALA 10 1HB ALA 10 -1.854 1.167 -3.124 74 HB2 ALA 10 2HB ALA 10 -1.280 -0.314 -3.887 75 HB3 ALA 10 3HB ALA 10 -0.123 0.887 -3.311 76 H LYS 11 H LYS 11 -2.529 1.518 -0.745 77 HA LYS 11 HA LYS 11 -0.645 3.254 0.375 78 HB2 LYS 11 2HB LYS 11 -3.187 3.555 -0.050 79 HB3 LYS 11 1HB LYS 11 -3.332 2.903 1.571 80 HG2 LYS 11 2HG LYS 11 -1.906 4.660 2.474 81 HG3 LYS 11 1HG LYS 11 -1.624 5.292 0.845 82 HD2 LYS 11 2HD LYS 11 -3.852 6.045 0.624 83 HD3 LYS 11 1HD LYS 11 -4.421 5.033 1.951 84 HE2 LYS 11 2HE LYS 11 -2.376 7.191 2.443 85 HE3 LYS 11 1HE LYS 11 -4.095 7.577 2.395 86 HZ1 LYS 11 1HZ LYS 11 -4.048 5.399 3.966 87 HZ2 LYS 11 2HZ LYS 11 -4.048 6.999 4.538 88 HZ3 LYS 11 3HZ LYS 11 -2.587 6.145 4.394 89 H ASP 12 H ASP 12 -2.295 0.455 1.737 90 HA ASP 12 HA ASP 12 -1.324 0.829 4.400 91 HB2 ASP 12 2HB ASP 12 -3.337 -0.495 3.931 92 HB3 ASP 12 1HB ASP 12 -2.363 -1.664 3.029 93 H ILE 13 H ILE 13 -0.408 -1.435 1.793 94 HA ILE 13 HA ILE 13 1.710 -2.707 3.062 95 HB ILE 13 HB ILE 13 1.474 -1.953 0.140 96 HG12 ILE 13 2HG1 ILE 13 0.801 -4.608 1.416 97 HG13 ILE 13 1HG1 ILE 13 -0.401 -3.320 1.301 98 HG21 ILE 13 1HG2 ILE 13 3.746 -2.625 0.650 99 HG22 ILE 13 2HG2 ILE 13 2.944 -3.973 -0.157 100 HG23 ILE 13 3HG2 ILE 13 3.170 -4.001 1.591 101 HD11 ILE 13 1HD1 ILE 13 1.174 -4.252 -1.103 102 HD12 ILE 13 2HD1 ILE 13 -0.312 -3.302 -1.075 103 HD13 ILE 13 3HD1 ILE 13 -0.347 -5.009 -0.632 104 H ALA 14 H ALA 14 1.871 0.155 0.938 105 HA ALA 14 HA ALA 14 4.569 0.695 1.080 106 HB1 ALA 14 1HB ALA 14 3.908 3.113 0.796 107 HB2 ALA 14 2HB ALA 14 2.231 2.609 1.006 108 HB3 ALA 14 3HB ALA 14 3.169 2.007 -0.361 109 H GLY 15 H GLY 15 2.217 0.914 3.588 110 HA2 GLY 15 2HA GLY 15 3.266 2.845 5.289 111 HA3 GLY 15 1HA GLY 15 2.406 1.408 5.829 112 H HIS 16 H HIS 16 3.896 -0.673 5.512 113 HA HIS 16 HA HIS 16 6.010 -0.409 7.376 114 HB2 HIS 16 2HB HIS 16 6.397 -2.735 7.038 115 HB3 HIS 16 1HB HIS 16 4.657 -2.502 6.875 116 HD2 HIS 16 2HD HIS 16 3.635 -3.351 4.436 117 HE1 HIS 16 1HE HIS 16 7.310 -3.807 2.407 118 HE2 HIS 16 2HE HIS 16 4.800 -4.159 2.243 119 H LEU 17 H LEU 17 5.859 -0.040 3.948 120 HA LEU 17 HA LEU 17 8.592 -0.544 3.347 121 HB2 LEU 17 2HB LEU 17 6.513 -0.340 1.765 122 HB3 LEU 17 1HB LEU 17 6.890 1.387 1.795 123 HG LEU 17 HG LEU 17 7.965 0.298 -0.119 124 HD11 LEU 17 1HD1 LEU 17 9.029 2.177 1.309 125 HD12 LEU 17 2HD1 LEU 17 10.053 1.327 0.154 126 HD13 LEU 17 3HD1 LEU 17 10.136 0.922 1.868 127 HD21 LEU 17 1HD2 LEU 17 8.272 -1.890 1.463 128 HD22 LEU 17 2HD2 LEU 17 9.889 -1.196 1.592 129 HD23 LEU 17 3HD2 LEU 17 9.230 -1.609 0.010 130 H ALA 18 H ALA 18 6.830 2.561 3.493 131 HA ALA 18 HA ALA 18 9.030 4.252 3.416 132 HB1 ALA 18 1HB ALA 18 7.585 5.941 4.429 133 HB2 ALA 18 2HB ALA 18 6.464 4.689 4.962 134 HB3 ALA 18 3HB ALA 18 6.677 5.006 3.240 135 H SER 19 H SER 19 8.123 2.076 5.862 136 HA SER 19 HA SER 19 8.969 3.358 8.201 137 HB2 SER 19 2HB SER 19 8.913 1.257 9.203 138 HB3 SER 19 1HB SER 19 7.841 1.025 7.824 139 HG SER 19 HG SER 19 10.581 0.319 8.056 140 H LYS 20 H LYS 20 10.813 1.435 5.849 141 HA LYS 20 HA LYS 20 13.280 1.659 7.236 142 HB2 LYS 20 2HB LYS 20 13.858 0.069 5.766 143 HB3 LYS 20 1HB LYS 20 12.292 0.270 4.989 144 HG2 LYS 20 2HG LYS 20 13.772 0.672 3.227 145 HG3 LYS 20 1HG LYS 20 13.417 2.294 3.801 146 HD2 LYS 20 2HD LYS 20 15.711 2.466 3.805 147 HD3 LYS 20 1HD LYS 20 15.523 1.735 5.398 148 HE2 LYS 20 2HE LYS 20 17.195 0.457 4.234 149 HE3 LYS 20 1HE LYS 20 15.732 -0.527 4.274 150 HZ1 LYS 20 1HZ LYS 20 16.295 -0.673 2.081 151 HZ2 LYS 20 2HZ LYS 20 16.963 0.888 2.019 152 HZ3 LYS 20 3HZ LYS 20 15.276 0.682 2.028 153 H VAL 21 H VAL 21 11.606 3.615 4.926 154 HA VAL 21 HA VAL 21 13.883 5.289 4.322 155 HB VAL 21 HB VAL 21 11.035 6.004 3.776 156 HG11 VAL 21 1HG1 VAL 21 13.569 6.402 2.172 157 HG12 VAL 21 2HG1 VAL 21 12.912 7.601 3.286 158 HG13 VAL 21 3HG1 VAL 21 11.993 7.128 1.857 159 HG21 VAL 21 1HG2 VAL 21 12.779 4.054 2.250 160 HG22 VAL 21 2HG2 VAL 21 11.254 4.708 1.654 161 HG23 VAL 21 3HG2 VAL 21 11.272 3.672 3.082 162 H MET 22 H MET 22 11.540 5.097 6.786 163 HA MET 22 HA MET 22 11.675 7.920 7.500 164 HB2 MET 22 2HB MET 22 9.568 6.651 7.785 165 HB3 MET 22 1HB MET 22 10.380 5.596 8.949 166 HG2 MET 22 2HG MET 22 10.433 8.581 9.353 167 HG3 MET 22 1HG MET 22 9.001 7.654 9.824 168 HE1 MET 22 1HE MET 22 8.823 7.726 12.153 169 HE2 MET 22 2HE MET 22 9.996 9.041 12.190 170 HE3 MET 22 3HE MET 22 10.135 7.713 13.339 171 HN1 NH2 23 HN1 NH2 23 12.422 4.888 9.325 172 HN2 NH2 23 HN2 NH2 23 13.708 5.571 10.198 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 -14.182 -1.876 -4.176 2 H2 GLY 1 2HT GLY 1 -15.831 -2.288 -4.157 3 H3 GLY 1 3HT GLY 1 -15.313 -0.881 -4.954 4 HA2 GLY 1 2HA GLY 1 -15.744 -3.289 -6.127 5 HA3 GLY 1 1HA GLY 1 -14.796 -1.962 -6.815 6 H VAL 2 H VAL 2 -14.417 -4.880 -7.077 7 HA VAL 2 HA VAL 2 -12.362 -5.934 -5.540 8 HB VAL 2 HB VAL 2 -13.088 -6.275 -8.448 9 HG11 VAL 2 1HG1 VAL 2 -10.824 -7.513 -6.879 10 HG12 VAL 2 2HG1 VAL 2 -10.770 -6.772 -8.479 11 HG13 VAL 2 3HG1 VAL 2 -11.552 -8.337 -8.259 12 HG21 VAL 2 1HG2 VAL 2 -14.559 -7.150 -6.580 13 HG22 VAL 2 2HG2 VAL 2 -13.219 -8.193 -6.104 14 HG23 VAL 2 3HG2 VAL 2 -13.969 -8.388 -7.688 15 H VAL 3 H VAL 3 -11.949 -4.326 -8.701 16 HA VAL 3 HA VAL 3 -9.176 -4.133 -8.661 17 HB VAL 3 HB VAL 3 -11.141 -2.170 -9.868 18 HG11 VAL 3 1HG1 VAL 3 -8.986 -1.165 -9.916 19 HG12 VAL 3 2HG1 VAL 3 -9.174 -1.908 -11.504 20 HG13 VAL 3 3HG1 VAL 3 -8.193 -2.700 -10.271 21 HG21 VAL 3 1HG2 VAL 3 -11.448 -4.582 -10.523 22 HG22 VAL 3 2HG2 VAL 3 -9.784 -4.585 -11.106 23 HG23 VAL 3 3HG2 VAL 3 -10.983 -3.540 -11.867 24 H ASP 4 H ASP 4 -11.607 -2.068 -7.172 25 HA ASP 4 HA ASP 4 -9.839 0.051 -6.453 26 HB2 ASP 4 2HB ASP 4 -12.334 0.237 -6.578 27 HB3 ASP 4 1HB ASP 4 -12.433 -0.735 -5.110 28 H ILE 5 H ILE 5 -11.051 -2.809 -4.728 29 HA ILE 5 HA ILE 5 -10.019 -2.324 -2.204 30 HB ILE 5 HB ILE 5 -10.435 -4.880 -3.751 31 HG12 ILE 5 2HG1 ILE 5 -11.789 -3.797 -1.264 32 HG13 ILE 5 1HG1 ILE 5 -12.359 -3.451 -2.896 33 HG21 ILE 5 1HG2 ILE 5 -9.307 -4.486 -0.974 34 HG22 ILE 5 2HG2 ILE 5 -8.680 -5.500 -2.273 35 HG23 ILE 5 3HG2 ILE 5 -10.157 -5.963 -1.429 36 HD11 ILE 5 1HD1 ILE 5 -12.936 -5.689 -3.307 37 HD12 ILE 5 2HD1 ILE 5 -13.394 -5.476 -1.618 38 HD13 ILE 5 3HD1 ILE 5 -11.888 -6.296 -2.026 39 H LEU 6 H LEU 6 -8.363 -3.403 -5.111 40 HA LEU 6 HA LEU 6 -5.944 -4.235 -3.909 41 HB2 LEU 6 2HB LEU 6 -6.038 -2.940 -6.623 42 HB3 LEU 6 1HB LEU 6 -5.057 -4.303 -6.074 43 HG LEU 6 HG LEU 6 -8.031 -4.282 -6.639 44 HD11 LEU 6 1HD1 LEU 6 -7.451 -5.998 -8.267 45 HD12 LEU 6 2HD1 LEU 6 -5.773 -5.989 -7.726 46 HD13 LEU 6 3HD1 LEU 6 -6.441 -4.580 -8.549 47 HD21 LEU 6 1HD2 LEU 6 -6.310 -6.221 -5.103 48 HD22 LEU 6 2HD2 LEU 6 -7.717 -6.796 -5.996 49 HD23 LEU 6 3HD2 LEU 6 -7.916 -5.615 -4.704 50 H LYS 7 H LYS 7 -6.905 -1.147 -5.360 51 HA LYS 7 HA LYS 7 -4.566 0.290 -4.964 52 HB2 LYS 7 2HB LYS 7 -7.230 1.591 -4.536 53 HB3 LYS 7 1HB LYS 7 -5.829 2.211 -5.374 54 HG2 LYS 7 2HG LYS 7 -7.350 -0.176 -6.426 55 HG3 LYS 7 1HG LYS 7 -7.858 1.467 -6.794 56 HD2 LYS 7 2HD LYS 7 -6.120 1.827 -8.215 57 HD3 LYS 7 1HD LYS 7 -4.982 0.989 -7.168 58 HE2 LYS 7 2HE LYS 7 -5.553 -1.133 -8.036 59 HE3 LYS 7 1HE LYS 7 -7.059 -0.536 -8.733 60 HZ1 LYS 7 1HZ LYS 7 -6.018 0.156 -10.562 61 HZ2 LYS 7 2HZ LYS 7 -4.725 -0.830 -10.067 62 HZ3 LYS 7 3HZ LYS 7 -4.722 0.830 -9.699 63 H GLY 8 H GLY 8 -7.384 0.060 -2.810 64 HA2 GLY 8 2HA GLY 8 -6.510 1.632 -0.715 65 HA3 GLY 8 1HA GLY 8 -7.540 0.211 -0.509 66 H ALA 9 H ALA 9 -5.408 -1.508 -1.689 67 HA ALA 9 HA ALA 9 -4.066 -2.156 0.771 68 HB1 ALA 9 1HB ALA 9 -4.858 -3.759 -1.113 69 HB2 ALA 9 2HB ALA 9 -3.317 -4.088 -0.323 70 HB3 ALA 9 3HB ALA 9 -3.348 -3.319 -1.909 71 H ALA 10 H ALA 10 -3.210 -0.582 -2.254 72 HA ALA 10 HA ALA 10 -0.431 -0.574 -2.062 73 HB1 ALA 10 1HB ALA 10 -1.898 0.283 -3.974 74 HB2 ALA 10 2HB ALA 10 -0.454 1.227 -3.606 75 HB3 ALA 10 3HB ALA 10 -2.035 1.781 -3.053 76 H LYS 11 H LYS 11 -2.827 1.366 -0.387 77 HA LYS 11 HA LYS 11 -1.075 3.338 0.630 78 HB2 LYS 11 2HB LYS 11 -3.713 3.147 0.556 79 HB3 LYS 11 1HB LYS 11 -3.448 2.505 2.166 80 HG2 LYS 11 2HG LYS 11 -2.475 5.182 1.143 81 HG3 LYS 11 1HG LYS 11 -3.788 4.924 2.302 82 HD2 LYS 11 2HD LYS 11 -2.014 3.668 3.717 83 HD3 LYS 11 1HD LYS 11 -0.828 4.464 2.681 84 HE2 LYS 11 2HE LYS 11 -1.752 6.662 3.284 85 HE3 LYS 11 1HE LYS 11 -2.969 5.881 4.296 86 HZ1 LYS 11 1HZ LYS 11 -0.081 5.411 4.709 87 HZ2 LYS 11 2HZ LYS 11 -1.363 5.147 5.791 88 HZ3 LYS 11 3HZ LYS 11 -0.872 6.731 5.423 89 H ASP 12 H ASP 12 -2.424 0.401 2.126 90 HA ASP 12 HA ASP 12 -1.018 0.591 4.555 91 HB2 ASP 12 2HB ASP 12 -2.958 -0.933 4.097 92 HB3 ASP 12 1HB ASP 12 -1.865 -1.956 3.154 93 H ILE 13 H ILE 13 -0.271 -1.308 1.630 94 HA ILE 13 HA ILE 13 2.140 -2.424 2.444 95 HB ILE 13 HB ILE 13 1.403 -1.439 -0.324 96 HG12 ILE 13 2HG1 ILE 13 1.138 -4.253 0.745 97 HG13 ILE 13 1HG1 ILE 13 -0.168 -3.080 0.937 98 HG21 ILE 13 1HG2 ILE 13 2.981 -3.259 -1.029 99 HG22 ILE 13 2HG2 ILE 13 3.445 -3.451 0.661 100 HG23 ILE 13 3HG2 ILE 13 3.776 -1.935 -0.177 101 HD11 ILE 13 1HD1 ILE 13 -0.431 -2.830 -1.415 102 HD12 ILE 13 2HD1 ILE 13 -0.272 -4.566 -1.150 103 HD13 ILE 13 3HD1 ILE 13 1.101 -3.635 -1.749 104 H ALA 14 H ALA 14 1.648 0.619 0.649 105 HA ALA 14 HA ALA 14 4.325 1.440 0.585 106 HB1 ALA 14 1HB ALA 14 1.868 3.201 0.738 107 HB2 ALA 14 2HB ALA 14 2.499 2.475 -0.741 108 HB3 ALA 14 3HB ALA 14 3.457 3.670 0.133 109 H GLY 15 H GLY 15 2.057 1.371 3.180 110 HA2 GLY 15 2HA GLY 15 3.051 3.433 4.819 111 HA3 GLY 15 1HA GLY 15 2.188 2.009 5.386 112 H HIS 16 H HIS 16 3.681 -0.079 5.112 113 HA HIS 16 HA HIS 16 5.760 0.198 6.998 114 HB2 HIS 16 2HB HIS 16 6.199 -2.122 6.639 115 HB3 HIS 16 1HB HIS 16 4.457 -1.908 6.474 116 HD2 HIS 16 2HD HIS 16 3.558 -3.179 4.207 117 HE1 HIS 16 1HE HIS 16 7.054 -2.819 1.866 118 HE2 HIS 16 2HE HIS 16 4.681 -3.724 1.913 119 H LEU 17 H LEU 17 5.691 0.838 3.658 120 HA LEU 17 HA LEU 17 8.394 0.233 3.005 121 HB2 LEU 17 2HB LEU 17 6.346 0.713 1.448 122 HB3 LEU 17 1HB LEU 17 6.808 2.406 1.659 123 HG LEU 17 HG LEU 17 7.841 1.465 -0.357 124 HD11 LEU 17 1HD1 LEU 17 8.983 3.138 1.261 125 HD12 LEU 17 2HD1 LEU 17 9.970 2.367 0.020 126 HD13 LEU 17 3HD1 LEU 17 10.030 1.782 1.682 127 HD21 LEU 17 1HD2 LEU 17 9.026 -0.498 -0.417 128 HD22 LEU 17 2HD2 LEU 17 8.034 -0.884 0.988 129 HD23 LEU 17 3HD2 LEU 17 9.678 -0.283 1.207 130 H ALA 18 H ALA 18 6.825 3.415 3.433 131 HA ALA 18 HA ALA 18 9.198 4.896 3.602 132 HB1 ALA 18 1HB ALA 18 6.894 5.832 3.250 133 HB2 ALA 18 2HB ALA 18 7.842 6.693 4.464 134 HB3 ALA 18 3HB ALA 18 6.583 5.564 4.965 135 H SER 19 H SER 19 7.687 2.825 5.880 136 HA SER 19 HA SER 19 8.716 3.974 8.271 137 HB2 SER 19 2HB SER 19 7.901 2.060 9.358 138 HB3 SER 19 1HB SER 19 6.817 2.242 7.982 139 HG SER 19 HG SER 19 7.555 0.109 8.128 140 H LYS 20 H LYS 20 9.860 1.425 6.087 141 HA LYS 20 HA LYS 20 12.154 0.784 7.642 142 HB2 LYS 20 2HB LYS 20 12.171 -0.976 6.254 143 HB3 LYS 20 1HB LYS 20 10.844 -0.245 5.360 144 HG2 LYS 20 2HG LYS 20 12.454 -0.491 3.694 145 HG3 LYS 20 1HG LYS 20 12.732 1.162 4.224 146 HD2 LYS 20 2HD LYS 20 14.908 0.364 4.310 147 HD3 LYS 20 1HD LYS 20 14.383 -0.036 5.946 148 HE2 LYS 20 2HE LYS 20 13.773 -2.311 5.187 149 HE3 LYS 20 1HE LYS 20 14.335 -1.913 3.564 150 HZ1 LYS 20 1HZ LYS 20 15.994 -3.098 4.944 151 HZ2 LYS 20 2HZ LYS 20 16.034 -1.762 5.993 152 HZ3 LYS 20 3HZ LYS 20 16.535 -1.595 4.378 153 H VAL 21 H VAL 21 11.424 3.117 5.199 154 HA VAL 21 HA VAL 21 14.110 3.794 4.523 155 HB VAL 21 HB VAL 21 11.570 5.364 4.243 156 HG11 VAL 21 1HG1 VAL 21 13.373 6.922 4.125 157 HG12 VAL 21 2HG1 VAL 21 12.957 6.548 2.453 158 HG13 VAL 21 3HG1 VAL 21 14.367 5.799 3.199 159 HG21 VAL 21 1HG2 VAL 21 11.622 3.204 3.018 160 HG22 VAL 21 2HG2 VAL 21 13.130 3.701 2.250 161 HG23 VAL 21 3HG2 VAL 21 11.639 4.582 1.917 162 H MET 22 H MET 22 12.132 4.445 7.218 163 HA MET 22 HA MET 22 13.463 6.917 7.969 164 HB2 MET 22 2HB MET 22 11.078 6.525 8.519 165 HB3 MET 22 1HB MET 22 11.560 5.175 9.557 166 HG2 MET 22 2HG MET 22 12.777 6.633 11.029 167 HG3 MET 22 1HG MET 22 12.622 7.993 9.908 168 HE1 MET 22 1HE MET 22 11.531 9.764 11.164 169 HE2 MET 22 2HE MET 22 11.961 8.813 12.583 170 HE3 MET 22 3HE MET 22 10.351 9.516 12.459 171 HN1 NH2 23 HN1 NH2 23 13.073 3.895 9.898 172 HN2 NH2 23 HN2 NH2 23 14.666 3.899 10.484 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 -15.352 -0.196 -7.925 2 H2 GLY 1 2HT GLY 1 -15.257 -1.861 -8.251 3 H3 GLY 1 3HT GLY 1 -13.845 -0.917 -8.213 4 HA2 GLY 1 2HA GLY 1 -14.410 -0.412 -5.813 5 HA3 GLY 1 1HA GLY 1 -15.562 -1.747 -5.952 6 H VAL 2 H VAL 2 -14.417 -3.661 -7.310 7 HA VAL 2 HA VAL 2 -12.623 -4.910 -5.603 8 HB VAL 2 HB VAL 2 -13.245 -5.289 -8.527 9 HG11 VAL 2 1HG1 VAL 2 -11.010 -6.059 -8.462 10 HG12 VAL 2 2HG1 VAL 2 -11.969 -7.512 -8.186 11 HG13 VAL 2 3HG1 VAL 2 -11.188 -6.700 -6.829 12 HG21 VAL 2 1HG2 VAL 2 -14.844 -5.909 -6.624 13 HG22 VAL 2 2HG2 VAL 2 -13.666 -7.139 -6.170 14 HG23 VAL 2 3HG2 VAL 2 -14.443 -7.206 -7.751 15 H VAL 3 H VAL 3 -11.808 -3.490 -8.779 16 HA VAL 3 HA VAL 3 -9.049 -3.693 -8.603 17 HB VAL 3 HB VAL 3 -10.688 -1.507 -9.908 18 HG11 VAL 3 1HG1 VAL 3 -8.444 -0.710 -9.756 19 HG12 VAL 3 2HG1 VAL 3 -8.598 -1.378 -11.380 20 HG13 VAL 3 3HG1 VAL 3 -7.778 -2.301 -10.121 21 HG21 VAL 3 1HG2 VAL 3 -9.430 -3.982 -11.125 22 HG22 VAL 3 2HG2 VAL 3 -10.559 -2.865 -11.892 23 HG23 VAL 3 3HG2 VAL 3 -11.110 -3.921 -10.590 24 H ASP 4 H ASP 4 -11.207 -1.293 -7.207 25 HA ASP 4 HA ASP 4 -9.178 0.539 -6.395 26 HB2 ASP 4 2HB ASP 4 -11.662 1.019 -6.632 27 HB3 ASP 4 1HB ASP 4 -11.880 0.178 -5.098 28 H ILE 5 H ILE 5 -10.882 -2.113 -4.754 29 HA ILE 5 HA ILE 5 -9.906 -1.797 -2.181 30 HB ILE 5 HB ILE 5 -10.569 -4.286 -3.755 31 HG12 ILE 5 2HG1 ILE 5 -11.972 -2.910 -1.443 32 HG13 ILE 5 1HG1 ILE 5 -12.371 -2.633 -3.137 33 HG21 ILE 5 1HG2 ILE 5 -10.644 -5.345 -1.410 34 HG22 ILE 5 2HG2 ILE 5 -9.663 -3.976 -0.888 35 HG23 ILE 5 3HG2 ILE 5 -9.047 -5.088 -2.111 36 HD11 ILE 5 1HD1 ILE 5 -12.647 -5.201 -3.293 37 HD12 ILE 5 2HD1 ILE 5 -13.908 -4.296 -2.455 38 HD13 ILE 5 3HD1 ILE 5 -12.684 -5.167 -1.531 39 H LEU 6 H LEU 6 -8.315 -3.157 -5.011 40 HA LEU 6 HA LEU 6 -6.097 -4.321 -3.718 41 HB2 LEU 6 2HB LEU 6 -5.888 -3.019 -6.424 42 HB3 LEU 6 1HB LEU 6 -5.133 -4.508 -5.845 43 HG LEU 6 HG LEU 6 -8.045 -4.063 -6.535 44 HD11 LEU 6 1HD1 LEU 6 -5.929 -5.988 -7.545 45 HD12 LEU 6 2HD1 LEU 6 -6.553 -4.587 -8.415 46 HD13 LEU 6 3HD1 LEU 6 -7.610 -5.957 -8.077 47 HD21 LEU 6 1HD2 LEU 6 -8.196 -5.386 -4.590 48 HD22 LEU 6 2HD2 LEU 6 -6.690 -6.235 -4.941 49 HD23 LEU 6 3HD2 LEU 6 -8.141 -6.584 -5.881 50 H LYS 7 H LYS 7 -6.567 -1.102 -5.120 51 HA LYS 7 HA LYS 7 -4.029 -0.055 -4.592 52 HB2 LYS 7 2HB LYS 7 -6.472 1.661 -4.376 53 HB3 LYS 7 1HB LYS 7 -4.936 2.027 -5.120 54 HG2 LYS 7 2HG LYS 7 -6.733 -0.112 -6.257 55 HG3 LYS 7 1HG LYS 7 -6.970 1.583 -6.665 56 HD2 LYS 7 2HD LYS 7 -5.069 1.692 -7.923 57 HD3 LYS 7 1HD LYS 7 -4.187 0.624 -6.840 58 HE2 LYS 7 2HE LYS 7 -5.108 -1.327 -7.822 59 HE3 LYS 7 1HE LYS 7 -6.386 -0.414 -8.624 60 HZ1 LYS 7 1HZ LYS 7 -3.779 -1.007 -9.544 61 HZ2 LYS 7 2HZ LYS 7 -3.994 0.677 -9.475 62 HZ3 LYS 7 3HZ LYS 7 -5.065 -0.284 -10.379 63 H GLY 8 H GLY 8 -7.016 0.268 -2.680 64 HA2 GLY 8 2HA GLY 8 -6.014 1.675 -0.518 65 HA3 GLY 8 1HA GLY 8 -7.340 0.513 -0.407 66 H ALA 9 H ALA 9 -5.505 -1.638 -1.395 67 HA ALA 9 HA ALA 9 -4.587 -2.520 1.183 68 HB1 ALA 9 1HB ALA 9 -3.878 -3.823 -1.439 69 HB2 ALA 9 2HB ALA 9 -5.498 -3.962 -0.757 70 HB3 ALA 9 3HB ALA 9 -4.108 -4.575 0.140 71 H ALA 10 H ALA 10 -3.124 -1.131 -1.687 72 HA ALA 10 HA ALA 10 -0.423 -1.711 -1.116 73 HB1 ALA 10 1HB ALA 10 0.111 0.043 -2.695 74 HB2 ALA 10 2HB ALA 10 -1.506 0.727 -2.543 75 HB3 ALA 10 3HB ALA 10 -1.284 -0.849 -3.301 76 H LYS 11 H LYS 11 -2.604 0.780 0.034 77 HA LYS 11 HA LYS 11 -0.782 2.590 1.116 78 HB2 LYS 11 2HB LYS 11 -3.362 2.703 0.923 79 HB3 LYS 11 1HB LYS 11 -3.318 1.938 2.501 80 HG2 LYS 11 2HG LYS 11 -1.705 3.781 3.217 81 HG3 LYS 11 1HG LYS 11 -2.155 4.605 1.719 82 HD2 LYS 11 2HD LYS 11 -4.590 4.311 2.475 83 HD3 LYS 11 1HD LYS 11 -3.933 3.885 4.056 84 HE2 LYS 11 2HE LYS 11 -4.332 6.223 4.179 85 HE3 LYS 11 1HE LYS 11 -2.596 6.076 3.906 86 HZ1 LYS 11 1HZ LYS 11 -3.071 7.546 2.277 87 HZ2 LYS 11 2HZ LYS 11 -4.687 7.044 2.123 88 HZ3 LYS 11 3HZ LYS 11 -3.441 6.137 1.407 89 H ASP 12 H ASP 12 -2.190 -0.333 2.530 90 HA ASP 12 HA ASP 12 -0.950 -0.039 5.073 91 HB2 ASP 12 2HB ASP 12 -2.393 -2.206 3.604 92 HB3 ASP 12 1HB ASP 12 -1.437 -2.651 5.020 93 H ILE 13 H ILE 13 -0.210 -2.152 2.289 94 HA ILE 13 HA ILE 13 2.144 -3.272 3.329 95 HB ILE 13 HB ILE 13 1.496 -2.713 0.425 96 HG12 ILE 13 2HG1 ILE 13 0.970 -5.258 1.974 97 HG13 ILE 13 1HG1 ILE 13 -0.247 -3.985 1.831 98 HG21 ILE 13 1HG2 ILE 13 2.935 -4.755 0.097 99 HG22 ILE 13 2HG2 ILE 13 3.362 -4.662 1.806 100 HG23 ILE 13 3HG2 ILE 13 3.812 -3.354 0.713 101 HD11 ILE 13 1HD1 ILE 13 -0.324 -4.192 -0.545 102 HD12 ILE 13 2HD1 ILE 13 -0.365 -5.841 0.077 103 HD13 ILE 13 3HD1 ILE 13 1.134 -5.182 -0.578 104 H ALA 14 H ALA 14 1.763 -0.541 1.065 105 HA ALA 14 HA ALA 14 4.487 0.155 0.941 106 HB1 ALA 14 1HB ALA 14 3.730 2.266 0.012 107 HB2 ALA 14 2HB ALA 14 2.107 2.003 0.648 108 HB3 ALA 14 3HB ALA 14 2.731 0.966 -0.635 109 H GLY 15 H GLY 15 2.108 0.653 3.388 110 HA2 GLY 15 2HA GLY 15 3.095 2.957 4.659 111 HA3 GLY 15 1HA GLY 15 2.191 1.670 5.450 112 H HIS 16 H HIS 16 3.653 -0.450 5.598 113 HA HIS 16 HA HIS 16 5.741 0.181 7.422 114 HB2 HIS 16 2HB HIS 16 6.133 -2.231 7.494 115 HB3 HIS 16 1HB HIS 16 4.402 -1.897 7.553 116 HD2 HIS 16 2HD HIS 16 3.173 -3.723 5.898 117 HE1 HIS 16 1HE HIS 16 6.048 -3.783 2.807 118 HE2 HIS 16 2HE HIS 16 3.801 -4.698 3.559 119 H LEU 17 H LEU 17 5.640 -0.027 4.024 120 HA LEU 17 HA LEU 17 8.362 -0.839 3.603 121 HB2 LEU 17 2HB LEU 17 6.293 -0.926 1.973 122 HB3 LEU 17 1HB LEU 17 6.776 0.730 1.592 123 HG LEU 17 HG LEU 17 7.816 -0.839 0.031 124 HD11 LEU 17 1HD1 LEU 17 9.976 0.082 0.140 125 HD12 LEU 17 2HD1 LEU 17 9.974 0.111 1.903 126 HD13 LEU 17 3HD1 LEU 17 8.979 1.254 1.000 127 HD21 LEU 17 1HD2 LEU 17 7.950 -2.597 2.113 128 HD22 LEU 17 2HD2 LEU 17 9.612 -2.006 2.093 129 HD23 LEU 17 3HD2 LEU 17 8.921 -2.746 0.650 130 H ALA 18 H ALA 18 6.701 2.261 2.974 131 HA ALA 18 HA ALA 18 9.024 3.790 2.626 132 HB1 ALA 18 1HB ALA 18 7.570 5.741 3.043 133 HB2 ALA 18 2HB ALA 18 6.309 4.664 3.642 134 HB3 ALA 18 3HB ALA 18 6.807 4.586 1.952 135 H SER 19 H SER 19 7.676 2.435 5.449 136 HA SER 19 HA SER 19 8.409 4.282 7.426 137 HB2 SER 19 2HB SER 19 8.149 2.516 8.976 138 HB3 SER 19 1HB SER 19 7.043 2.121 7.663 139 HG SER 19 HG SER 19 9.476 0.954 8.396 140 H LYS 20 H LYS 20 10.296 1.879 5.687 141 HA LYS 20 HA LYS 20 12.609 2.096 7.337 142 HB2 LYS 20 2HB LYS 20 13.171 0.249 6.197 143 HB3 LYS 20 1HB LYS 20 11.736 0.462 5.203 144 HG2 LYS 20 2HG LYS 20 13.436 0.465 3.605 145 HG3 LYS 20 1HG LYS 20 13.201 2.180 3.899 146 HD2 LYS 20 2HD LYS 20 15.495 2.108 4.149 147 HD3 LYS 20 1HD LYS 20 15.039 1.706 5.804 148 HE2 LYS 20 2HE LYS 20 16.619 0.044 5.195 149 HE3 LYS 20 1HE LYS 20 15.051 -0.748 5.033 150 HZ1 LYS 20 1HZ LYS 20 15.276 -0.913 2.830 151 HZ2 LYS 20 2HZ LYS 20 16.931 -0.651 3.111 152 HZ3 LYS 20 3HZ LYS 20 15.927 0.645 2.666 153 H VAL 21 H VAL 21 11.362 3.802 4.604 154 HA VAL 21 HA VAL 21 13.814 5.146 3.943 155 HB VAL 21 HB VAL 21 10.969 5.697 3.172 156 HG11 VAL 21 1HG1 VAL 21 13.580 6.946 2.317 157 HG12 VAL 21 2HG1 VAL 21 12.135 7.759 2.916 158 HG13 VAL 21 3HG1 VAL 21 12.132 7.022 1.314 159 HG21 VAL 21 1HG2 VAL 21 13.257 4.451 1.630 160 HG22 VAL 21 2HG2 VAL 21 11.602 4.653 1.057 161 HG23 VAL 21 3HG2 VAL 21 11.947 3.542 2.383 162 H MET 22 H MET 22 11.422 5.534 6.330 163 HA MET 22 HA MET 22 12.423 8.257 6.938 164 HB2 MET 22 2HB MET 22 10.110 8.398 6.175 165 HB3 MET 22 1HB MET 22 9.629 7.157 7.340 166 HG2 MET 22 2HG MET 22 9.980 8.574 9.185 167 HG3 MET 22 1HG MET 22 11.016 9.673 8.261 168 HE1 MET 22 1HE MET 22 6.499 9.097 7.764 169 HE2 MET 22 2HE MET 22 7.689 7.965 8.397 170 HE3 MET 22 3HE MET 22 7.607 8.266 6.663 171 HN1 NH2 23 HN1 NH2 23 12.232 5.048 8.029 172 HN2 NH2 23 HN2 NH2 23 12.498 5.343 9.679 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 -14.571 0.025 -4.114 2 H2 GLY 1 2HT GLY 1 -15.759 -0.984 -4.789 3 H3 GLY 1 3HT GLY 1 -15.886 0.704 -4.943 4 HA2 GLY 1 2HA GLY 1 -15.137 -0.297 -7.014 5 HA3 GLY 1 1HA GLY 1 -13.904 0.765 -6.318 6 H VAL 2 H VAL 2 -14.528 -2.318 -7.512 7 HA VAL 2 HA VAL 2 -12.939 -4.039 -6.025 8 HB VAL 2 HB VAL 2 -13.560 -3.888 -8.971 9 HG11 VAL 2 1HG1 VAL 2 -12.609 -6.291 -8.973 10 HG12 VAL 2 2HG1 VAL 2 -11.753 -5.814 -7.506 11 HG13 VAL 2 3HG1 VAL 2 -11.450 -4.962 -9.021 12 HG21 VAL 2 1HG2 VAL 2 -15.300 -4.543 -7.260 13 HG22 VAL 2 2HG2 VAL 2 -14.289 -5.929 -6.850 14 HG23 VAL 2 3HG2 VAL 2 -14.974 -5.784 -8.469 15 H VAL 3 H VAL 3 -11.899 -2.293 -8.962 16 HA VAL 3 HA VAL 3 -9.195 -2.884 -8.836 17 HB VAL 3 HB VAL 3 -10.529 -0.350 -9.815 18 HG11 VAL 3 1HG1 VAL 3 -7.724 -1.437 -10.116 19 HG12 VAL 3 2HG1 VAL 3 -8.217 0.163 -9.561 20 HG13 VAL 3 3HG1 VAL 3 -8.407 -0.279 -11.257 21 HG21 VAL 3 1HG2 VAL 3 -11.326 -2.391 -10.926 22 HG22 VAL 3 2HG2 VAL 3 -9.663 -2.899 -11.217 23 HG23 VAL 3 3HG2 VAL 3 -10.301 -1.468 -12.026 24 H ASP 4 H ASP 4 -11.019 -0.409 -7.114 25 HA ASP 4 HA ASP 4 -8.758 0.983 -6.074 26 HB2 ASP 4 2HB ASP 4 -10.986 2.009 -6.190 27 HB3 ASP 4 1HB ASP 4 -11.594 0.835 -5.026 28 H ILE 5 H ILE 5 -10.850 -1.586 -4.784 29 HA ILE 5 HA ILE 5 -9.865 -1.752 -2.200 30 HB ILE 5 HB ILE 5 -10.892 -3.876 -4.082 31 HG12 ILE 5 2HG1 ILE 5 -12.062 -2.672 -1.556 32 HG13 ILE 5 1HG1 ILE 5 -12.410 -2.069 -3.175 33 HG21 ILE 5 1HG2 ILE 5 -9.504 -5.130 -2.611 34 HG22 ILE 5 2HG2 ILE 5 -11.115 -5.234 -1.904 35 HG23 ILE 5 3HG2 ILE 5 -9.926 -4.121 -1.228 36 HD11 ILE 5 1HD1 ILE 5 -13.075 -4.783 -2.022 37 HD12 ILE 5 2HD1 ILE 5 -13.120 -4.461 -3.755 38 HD13 ILE 5 3HD1 ILE 5 -14.186 -3.575 -2.666 39 H LEU 6 H LEU 6 -8.481 -3.022 -5.192 40 HA LEU 6 HA LEU 6 -6.480 -4.651 -4.091 41 HB2 LEU 6 2HB LEU 6 -6.011 -3.006 -6.567 42 HB3 LEU 6 1HB LEU 6 -5.494 -4.658 -6.218 43 HG LEU 6 HG LEU 6 -8.291 -3.688 -6.848 44 HD11 LEU 6 1HD1 LEU 6 -6.595 -4.247 -8.682 45 HD12 LEU 6 2HD1 LEU 6 -8.121 -5.127 -8.744 46 HD13 LEU 6 3HD1 LEU 6 -6.677 -5.914 -8.108 47 HD21 LEU 6 1HD2 LEU 6 -8.780 -6.232 -6.568 48 HD22 LEU 6 2HD2 LEU 6 -8.687 -5.240 -5.115 49 HD23 LEU 6 3HD2 LEU 6 -7.318 -6.248 -5.584 50 H LYS 7 H LYS 7 -6.336 -1.247 -5.090 51 HA LYS 7 HA LYS 7 -3.715 -0.677 -4.408 52 HB2 LYS 7 2HB LYS 7 -5.848 1.332 -3.806 53 HB3 LYS 7 1HB LYS 7 -4.291 1.569 -4.561 54 HG2 LYS 7 2HG LYS 7 -6.454 -0.028 -5.930 55 HG3 LYS 7 1HG LYS 7 -6.402 1.726 -6.050 56 HD2 LYS 7 2HD LYS 7 -4.537 1.725 -7.366 57 HD3 LYS 7 1HD LYS 7 -3.833 0.353 -6.519 58 HE2 LYS 7 2HE LYS 7 -5.106 -1.217 -7.760 59 HE3 LYS 7 1HE LYS 7 -6.222 0.024 -8.332 60 HZ1 LYS 7 1HZ LYS 7 -3.563 -0.670 -9.290 61 HZ2 LYS 7 2HZ LYS 7 -3.944 0.985 -9.266 62 HZ3 LYS 7 3HZ LYS 7 -4.912 -0.098 -10.147 63 H GLY 8 H GLY 8 -6.614 -0.522 -2.378 64 HA2 GLY 8 2HA GLY 8 -5.548 0.472 -0.032 65 HA3 GLY 8 1HA GLY 8 -6.866 -0.704 -0.088 66 H ALA 9 H ALA 9 -5.049 -2.622 -1.504 67 HA ALA 9 HA ALA 9 -4.052 -3.951 0.842 68 HB1 ALA 9 1HB ALA 9 -3.451 -4.718 -2.013 69 HB2 ALA 9 2HB ALA 9 -5.011 -5.053 -1.263 70 HB3 ALA 9 3HB ALA 9 -3.543 -5.763 -0.595 71 H ALA 10 H ALA 10 -2.580 -2.372 -1.982 72 HA ALA 10 HA ALA 10 0.114 -2.879 -1.165 73 HB1 ALA 10 1HB ALA 10 0.657 -1.129 -2.890 74 HB2 ALA 10 2HB ALA 10 -1.077 -0.906 -3.126 75 HB3 ALA 10 3HB ALA 10 -0.328 -2.461 -3.494 76 H LYS 11 H LYS 11 -2.204 -0.303 -0.613 77 HA LYS 11 HA LYS 11 -0.486 1.686 0.334 78 HB2 LYS 11 2HB LYS 11 -2.756 2.221 -0.145 79 HB3 LYS 11 1HB LYS 11 -3.308 1.055 1.040 80 HG2 LYS 11 2HG LYS 11 -2.526 2.351 2.870 81 HG3 LYS 11 1HG LYS 11 -1.543 3.370 1.810 82 HD2 LYS 11 2HD LYS 11 -3.597 4.261 0.764 83 HD3 LYS 11 1HD LYS 11 -4.575 3.253 1.832 84 HE2 LYS 11 2HE LYS 11 -2.661 5.436 2.708 85 HE3 LYS 11 1HE LYS 11 -4.422 5.531 2.734 86 HZ1 LYS 11 1HZ LYS 11 -4.467 3.679 4.279 87 HZ2 LYS 11 2HZ LYS 11 -3.532 4.953 4.904 88 HZ3 LYS 11 3HZ LYS 11 -2.774 3.580 4.251 89 H ASP 12 H ASP 12 -2.074 -0.976 2.038 90 HA ASP 12 HA ASP 12 -1.170 -0.268 4.633 91 HB2 ASP 12 2HB ASP 12 -3.048 -1.884 4.026 92 HB3 ASP 12 1HB ASP 12 -1.781 -3.074 3.697 93 H ILE 13 H ILE 13 0.078 -2.546 2.200 94 HA ILE 13 HA ILE 13 2.280 -3.457 3.734 95 HB ILE 13 HB ILE 13 2.006 -3.317 0.722 96 HG12 ILE 13 2HG1 ILE 13 1.410 -5.676 2.521 97 HG13 ILE 13 1HG1 ILE 13 0.159 -4.512 2.067 98 HG21 ILE 13 1HG2 ILE 13 3.578 -5.276 0.848 99 HG22 ILE 13 2HG2 ILE 13 3.763 -4.955 2.573 100 HG23 ILE 13 3HG2 ILE 13 4.294 -3.759 1.391 101 HD11 ILE 13 1HD1 ILE 13 0.377 -5.024 -0.248 102 HD12 ILE 13 2HD1 ILE 13 0.376 -6.585 0.574 103 HD13 ILE 13 3HD1 ILE 13 1.894 -5.887 0.008 104 H ALA 14 H ALA 14 2.113 -1.069 1.087 105 HA ALA 14 HA ALA 14 4.805 -0.241 1.259 106 HB1 ALA 14 1HB ALA 14 4.184 1.563 -0.165 107 HB2 ALA 14 2HB ALA 14 2.503 1.498 0.367 108 HB3 ALA 14 3HB ALA 14 3.163 0.203 -0.634 109 H GLY 15 H GLY 15 2.050 0.456 3.211 110 HA2 GLY 15 2HA GLY 15 2.686 2.978 4.245 111 HA3 GLY 15 1HA GLY 15 1.780 1.735 5.104 112 H HIS 16 H HIS 16 3.372 -0.195 5.750 113 HA HIS 16 HA HIS 16 5.129 0.889 7.709 114 HB2 HIS 16 2HB HIS 16 5.648 -1.415 8.249 115 HB3 HIS 16 1HB HIS 16 3.917 -1.285 7.935 116 HD2 HIS 16 2HD HIS 16 3.033 -3.078 6.027 117 HE1 HIS 16 1HE HIS 16 6.763 -3.940 4.246 118 HE2 HIS 16 2HE HIS 16 4.290 -4.515 4.245 119 H LEU 17 H LEU 17 5.517 0.170 4.398 120 HA LEU 17 HA LEU 17 8.342 -0.388 4.481 121 HB2 LEU 17 2HB LEU 17 6.546 -1.032 2.663 122 HB3 LEU 17 1HB LEU 17 6.914 0.573 2.021 123 HG LEU 17 HG LEU 17 8.316 -1.118 0.944 124 HD11 LEU 17 1HD1 LEU 17 9.115 1.248 1.613 125 HD12 LEU 17 2HD1 LEU 17 10.334 0.071 1.126 126 HD13 LEU 17 3HD1 LEU 17 10.082 0.421 2.835 127 HD21 LEU 17 1HD2 LEU 17 9.505 -2.723 2.063 128 HD22 LEU 17 2HD2 LEU 17 8.322 -2.430 3.335 129 HD23 LEU 17 3HD2 LEU 17 9.903 -1.649 3.403 130 H ALA 18 H ALA 18 6.460 2.319 3.102 131 HA ALA 18 HA ALA 18 8.566 4.054 2.616 132 HB1 ALA 18 1HB ALA 18 6.888 5.870 2.774 133 HB2 ALA 18 2HB ALA 18 5.749 4.732 3.494 134 HB3 ALA 18 3HB ALA 18 6.296 4.500 1.833 135 H SER 19 H SER 19 7.301 3.010 5.616 136 HA SER 19 HA SER 19 7.968 5.248 7.227 137 HB2 SER 19 2HB SER 19 7.440 3.897 9.048 138 HB3 SER 19 1HB SER 19 6.508 3.142 7.758 139 HG SER 19 HG SER 19 7.686 1.427 7.992 140 H LYS 20 H LYS 20 9.708 2.259 6.409 141 HA LYS 20 HA LYS 20 12.006 2.880 7.955 142 HB2 LYS 20 2HB LYS 20 12.448 0.727 7.516 143 HB3 LYS 20 1HB LYS 20 11.054 0.691 6.442 144 HG2 LYS 20 2HG LYS 20 12.822 0.041 5.043 145 HG3 LYS 20 1HG LYS 20 12.633 1.754 4.697 146 HD2 LYS 20 2HD LYS 20 14.868 1.895 5.120 147 HD3 LYS 20 1HD LYS 20 14.395 1.812 6.817 148 HE2 LYS 20 2HE LYS 20 15.396 -0.405 5.036 149 HE3 LYS 20 1HE LYS 20 16.000 0.100 6.614 150 HZ1 LYS 20 1HZ LYS 20 13.251 -0.667 6.702 151 HZ2 LYS 20 2HZ LYS 20 14.556 -1.213 7.642 152 HZ3 LYS 20 3HZ LYS 20 14.234 -1.926 6.133 153 H VAL 21 H VAL 21 10.947 3.662 4.762 154 HA VAL 21 HA VAL 21 13.455 4.447 3.686 155 HB VAL 21 HB VAL 21 10.666 5.269 2.950 156 HG11 VAL 21 1HG1 VAL 21 12.125 6.933 2.060 157 HG12 VAL 21 2HG1 VAL 21 11.821 5.811 0.733 158 HG13 VAL 21 3HG1 VAL 21 13.339 5.731 1.626 159 HG21 VAL 21 1HG2 VAL 21 10.808 3.562 1.267 160 HG22 VAL 21 2HG2 VAL 21 11.315 2.817 2.783 161 HG23 VAL 21 3HG2 VAL 21 12.522 3.306 1.593 162 H MET 22 H MET 22 11.383 5.864 5.986 163 HA MET 22 HA MET 22 12.642 8.517 5.622 164 HB2 MET 22 2HB MET 22 10.099 8.304 5.581 165 HB3 MET 22 1HB MET 22 10.207 7.907 7.302 166 HG2 MET 22 2HG MET 22 11.397 10.036 7.714 167 HG3 MET 22 1HG MET 22 11.264 10.437 5.995 168 HE1 MET 22 1HE MET 22 8.654 12.915 6.778 169 HE2 MET 22 2HE MET 22 9.604 12.259 5.446 170 HE3 MET 22 3HE MET 22 10.390 12.637 6.977 171 HN1 NH2 23 HN1 NH2 23 11.540 6.375 8.320 172 HN2 NH2 23 HN2 NH2 23 12.799 6.823 9.367 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 -14.566 -1.479 -4.126 2 H2 GLY 1 2HT GLY 1 -16.072 -1.093 -4.813 3 H3 GLY 1 3HT GLY 1 -14.891 0.113 -4.611 4 HA2 GLY 1 2HA GLY 1 -15.294 -1.627 -6.798 5 HA3 GLY 1 1HA GLY 1 -14.154 -0.281 -6.647 6 H VAL 2 H VAL 2 -14.256 -3.442 -7.334 7 HA VAL 2 HA VAL 2 -12.396 -4.764 -5.757 8 HB VAL 2 HB VAL 2 -13.046 -4.943 -8.697 9 HG11 VAL 2 1HG1 VAL 2 -11.757 -7.173 -8.513 10 HG12 VAL 2 2HG1 VAL 2 -10.984 -6.461 -7.096 11 HG13 VAL 2 3HG1 VAL 2 -10.803 -5.699 -8.677 12 HG21 VAL 2 1HG2 VAL 2 -13.535 -6.763 -6.315 13 HG22 VAL 2 2HG2 VAL 2 -14.060 -7.081 -7.969 14 HG23 VAL 2 3HG2 VAL 2 -14.736 -5.719 -7.076 15 H VAL 3 H VAL 3 -11.680 -3.134 -8.851 16 HA VAL 3 HA VAL 3 -8.914 -3.268 -8.736 17 HB VAL 3 HB VAL 3 -10.569 -1.002 -9.871 18 HG11 VAL 3 1HG1 VAL 3 -8.566 -0.957 -11.478 19 HG12 VAL 3 2HG1 VAL 3 -7.728 -1.950 -10.284 20 HG13 VAL 3 3HG1 VAL 3 -8.285 -0.333 -9.852 21 HG21 VAL 3 1HG2 VAL 3 -10.270 -2.374 -12.002 22 HG22 VAL 3 2HG2 VAL 3 -11.375 -3.058 -10.810 23 HG23 VAL 3 3HG2 VAL 3 -9.740 -3.701 -10.968 24 H ASP 4 H ASP 4 -11.105 -0.978 -7.201 25 HA ASP 4 HA ASP 4 -9.100 0.852 -6.335 26 HB2 ASP 4 2HB ASP 4 -11.538 1.383 -6.514 27 HB3 ASP 4 1HB ASP 4 -11.820 0.355 -5.110 28 H ILE 5 H ILE 5 -10.738 -1.891 -4.774 29 HA ILE 5 HA ILE 5 -9.717 -1.657 -2.210 30 HB ILE 5 HB ILE 5 -10.415 -4.079 -3.869 31 HG12 ILE 5 2HG1 ILE 5 -11.723 -2.888 -1.407 32 HG13 ILE 5 1HG1 ILE 5 -12.175 -2.439 -3.052 33 HG21 ILE 5 1HG2 ILE 5 -8.824 -4.967 -2.341 34 HG22 ILE 5 2HG2 ILE 5 -10.385 -5.253 -1.574 35 HG23 ILE 5 3HG2 ILE 5 -9.371 -3.914 -1.036 36 HD11 ILE 5 1HD1 ILE 5 -12.106 -5.339 -2.246 37 HD12 ILE 5 2HD1 ILE 5 -13.027 -4.568 -3.537 38 HD13 ILE 5 3HD1 ILE 5 -13.508 -4.343 -1.856 39 H LEU 6 H LEU 6 -8.174 -2.975 -5.104 40 HA LEU 6 HA LEU 6 -5.929 -4.152 -3.909 41 HB2 LEU 6 2HB LEU 6 -5.742 -2.681 -6.528 42 HB3 LEU 6 1HB LEU 6 -4.967 -4.194 -6.045 43 HG LEU 6 HG LEU 6 -7.883 -3.738 -6.706 44 HD11 LEU 6 1HD1 LEU 6 -7.480 -5.381 -8.432 45 HD12 LEU 6 2HD1 LEU 6 -5.869 -5.718 -7.801 46 HD13 LEU 6 3HD1 LEU 6 -6.213 -4.160 -8.549 47 HD21 LEU 6 1HD2 LEU 6 -8.028 -5.174 -4.843 48 HD22 LEU 6 2HD2 LEU 6 -6.513 -5.985 -5.235 49 HD23 LEU 6 3HD2 LEU 6 -7.955 -6.296 -6.200 50 H LYS 7 H LYS 7 -6.368 -0.868 -5.174 51 HA LYS 7 HA LYS 7 -3.862 0.176 -4.618 52 HB2 LYS 7 2HB LYS 7 -6.313 1.832 -4.145 53 HB3 LYS 7 1HB LYS 7 -4.813 2.285 -4.914 54 HG2 LYS 7 2HG LYS 7 -6.636 0.231 -6.163 55 HG3 LYS 7 1HG LYS 7 -6.903 1.952 -6.410 56 HD2 LYS 7 2HD LYS 7 -5.072 2.186 -7.747 57 HD3 LYS 7 1HD LYS 7 -4.118 1.065 -6.783 58 HE2 LYS 7 2HE LYS 7 -5.112 -0.842 -7.836 59 HE3 LYS 7 1HE LYS 7 -6.355 0.151 -8.598 60 HZ1 LYS 7 1HZ LYS 7 -4.994 0.252 -10.333 61 HZ2 LYS 7 2HZ LYS 7 -3.689 -0.401 -9.462 62 HZ3 LYS 7 3HZ LYS 7 -4.000 1.268 -9.407 63 H GLY 8 H GLY 8 -6.758 0.295 -2.551 64 HA2 GLY 8 2HA GLY 8 -5.672 1.525 -0.323 65 HA3 GLY 8 1HA GLY 8 -6.980 0.341 -0.255 66 H ALA 9 H ALA 9 -5.178 -1.699 -1.496 67 HA ALA 9 HA ALA 9 -4.131 -2.778 0.956 68 HB1 ALA 9 1HB ALA 9 -3.733 -4.742 -0.254 69 HB2 ALA 9 2HB ALA 9 -3.512 -3.877 -1.775 70 HB3 ALA 9 3HB ALA 9 -5.125 -4.046 -1.084 71 H ALA 10 H ALA 10 -2.814 -1.140 -1.854 72 HA ALA 10 HA ALA 10 -0.084 -1.747 -1.440 73 HB1 ALA 10 1HB ALA 10 0.369 0.140 -2.907 74 HB2 ALA 10 2HB ALA 10 -1.272 0.746 -2.679 75 HB3 ALA 10 3HB ALA 10 -1.003 -0.773 -3.534 76 H LYS 11 H LYS 11 -2.224 0.670 -0.065 77 HA LYS 11 HA LYS 11 -0.289 2.347 1.093 78 HB2 LYS 11 2HB LYS 11 -2.877 2.608 0.838 79 HB3 LYS 11 1HB LYS 11 -2.885 1.853 2.420 80 HG2 LYS 11 2HG LYS 11 -1.176 3.603 3.142 81 HG3 LYS 11 1HG LYS 11 -1.542 4.435 1.625 82 HD2 LYS 11 2HD LYS 11 -3.119 5.477 2.931 83 HD3 LYS 11 1HD LYS 11 -4.064 4.048 2.520 84 HE2 LYS 11 2HE LYS 11 -2.583 4.657 5.073 85 HE3 LYS 11 1HE LYS 11 -4.261 4.161 4.862 86 HZ1 LYS 11 1HZ LYS 11 -1.876 2.468 4.343 87 HZ2 LYS 11 2HZ LYS 11 -3.493 1.990 4.135 88 HZ3 LYS 11 3HZ LYS 11 -2.903 2.346 5.688 89 H ASP 12 H ASP 12 -1.997 -0.483 2.365 90 HA ASP 12 HA ASP 12 -0.827 -0.415 4.946 91 HB2 ASP 12 2HB ASP 12 -2.894 -1.700 4.261 92 HB3 ASP 12 1HB ASP 12 -1.817 -2.872 3.490 93 H ILE 13 H ILE 13 -0.044 -2.346 2.050 94 HA ILE 13 HA ILE 13 2.184 -3.684 3.138 95 HB ILE 13 HB ILE 13 1.684 -2.911 0.254 96 HG12 ILE 13 2HG1 ILE 13 1.042 -5.548 1.587 97 HG13 ILE 13 1HG1 ILE 13 -0.134 -4.230 1.535 98 HG21 ILE 13 1HG2 ILE 13 3.474 -4.959 1.585 99 HG22 ILE 13 2HG2 ILE 13 3.957 -3.639 0.519 100 HG23 ILE 13 3HG2 ILE 13 3.061 -5.013 -0.129 101 HD11 ILE 13 1HD1 ILE 13 -0.142 -4.217 -0.863 102 HD12 ILE 13 2HD1 ILE 13 -0.304 -5.902 -0.371 103 HD13 ILE 13 3HD1 ILE 13 1.252 -5.294 -0.936 104 H ALA 14 H ALA 14 2.060 -0.801 1.040 105 HA ALA 14 HA ALA 14 4.860 -0.266 1.289 106 HB1 ALA 14 1HB ALA 14 3.476 0.480 -0.645 107 HB2 ALA 14 2HB ALA 14 4.369 1.801 0.109 108 HB3 ALA 14 3HB ALA 14 2.644 1.608 0.424 109 H GLY 15 H GLY 15 2.078 0.431 3.191 110 HA2 GLY 15 2HA GLY 15 2.801 2.797 4.486 111 HA3 GLY 15 1HA GLY 15 1.808 1.528 5.194 112 H HIS 16 H HIS 16 3.380 -0.556 5.597 113 HA HIS 16 HA HIS 16 5.066 0.275 7.753 114 HB2 HIS 16 2HB HIS 16 5.347 -2.022 8.219 115 HB3 HIS 16 1HB HIS 16 3.714 -1.898 7.566 116 HD2 HIS 16 2HD HIS 16 3.313 -3.231 5.126 117 HE1 HIS 16 1HE HIS 16 7.282 -4.586 4.639 118 HE2 HIS 16 2HE HIS 16 4.916 -4.748 3.729 119 H LEU 17 H LEU 17 5.579 -0.448 4.401 120 HA LEU 17 HA LEU 17 8.401 -0.937 4.615 121 HB2 LEU 17 2HB LEU 17 6.706 -1.613 2.718 122 HB3 LEU 17 1HB LEU 17 7.064 0.002 2.093 123 HG LEU 17 HG LEU 17 8.544 -1.664 1.075 124 HD11 LEU 17 1HD1 LEU 17 10.212 -0.084 3.016 125 HD12 LEU 17 2HD1 LEU 17 9.258 0.727 1.773 126 HD13 LEU 17 3HD1 LEU 17 10.516 -0.419 1.312 127 HD21 LEU 17 1HD2 LEU 17 9.742 -3.226 2.246 128 HD22 LEU 17 2HD2 LEU 17 8.490 -2.972 3.461 129 HD23 LEU 17 3HD2 LEU 17 10.039 -2.141 3.603 130 H ALA 18 H ALA 18 6.528 1.753 3.198 131 HA ALA 18 HA ALA 18 8.613 3.518 2.755 132 HB1 ALA 18 1HB ALA 18 6.288 3.887 1.993 133 HB2 ALA 18 2HB ALA 18 6.936 5.298 2.830 134 HB3 ALA 18 3HB ALA 18 5.810 4.223 3.658 135 H SER 19 H SER 19 7.375 2.406 5.735 136 HA SER 19 HA SER 19 7.882 4.608 7.414 137 HB2 SER 19 2HB SER 19 7.653 3.110 9.206 138 HB3 SER 19 1HB SER 19 6.692 2.363 7.932 139 HG SER 19 HG SER 19 8.600 1.237 9.228 140 H LYS 20 H LYS 20 9.954 1.889 6.435 141 HA LYS 20 HA LYS 20 12.211 2.813 7.910 142 HB2 LYS 20 2HB LYS 20 12.900 0.719 7.509 143 HB3 LYS 20 1HB LYS 20 11.483 0.476 6.494 144 HG2 LYS 20 2HG LYS 20 13.240 0.011 5.022 145 HG3 LYS 20 1HG LYS 20 12.878 1.694 4.668 146 HD2 LYS 20 2HD LYS 20 15.150 1.926 4.951 147 HD3 LYS 20 1HD LYS 20 14.684 2.057 6.646 148 HE2 LYS 20 2HE LYS 20 15.055 -0.362 6.943 149 HE3 LYS 20 1HE LYS 20 15.514 -0.501 5.245 150 HZ1 LYS 20 1HZ LYS 20 16.967 1.571 6.534 151 HZ2 LYS 20 2HZ LYS 20 17.547 0.207 5.703 152 HZ3 LYS 20 3HZ LYS 20 17.169 0.102 7.357 153 H VAL 21 H VAL 21 10.939 3.353 4.742 154 HA VAL 21 HA VAL 21 13.334 4.543 3.674 155 HB VAL 21 HB VAL 21 10.584 4.946 2.578 156 HG11 VAL 21 1HG1 VAL 21 13.270 4.536 1.245 157 HG12 VAL 21 2HG1 VAL 21 12.562 6.116 1.581 158 HG13 VAL 21 3HG1 VAL 21 11.765 5.013 0.459 159 HG21 VAL 21 1HG2 VAL 21 12.343 2.492 2.332 160 HG22 VAL 21 2HG2 VAL 21 10.920 2.804 1.336 161 HG23 VAL 21 3HG2 VAL 21 10.745 2.563 3.074 162 H MET 22 H MET 22 10.798 5.565 5.700 163 HA MET 22 HA MET 22 10.647 8.309 5.011 164 HB2 MET 22 2HB MET 22 9.039 7.004 6.487 165 HB3 MET 22 1HB MET 22 10.242 7.157 7.776 166 HG2 MET 22 2HG MET 22 10.156 9.729 7.057 167 HG3 MET 22 1HG MET 22 8.539 9.267 6.502 168 HE1 MET 22 1HE MET 22 7.275 7.429 7.963 169 HE2 MET 22 2HE MET 22 6.483 8.996 8.097 170 HE3 MET 22 3HE MET 22 6.706 8.005 9.536 171 HN1 NH2 23 HN1 NH2 23 12.300 6.921 7.909 172 HN2 NH2 23 HN2 NH2 23 13.533 8.087 7.933
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