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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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11700 |
1rvs ![]() ![]() |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H TYR 1 1H TYR 1 -16.610 -1.608 -1.714 2 2H TYR 1 2H TYR 1 -17.533 -2.428 -0.522 3 3H TYR 1 3H TYR 1 -16.124 -3.160 -1.174 4 HA TYR 1 HA TYR 1 -16.380 -0.929 0.694 5 1HB TYR 1 2HB TYR 1 -15.283 -3.674 0.609 6 2HB TYR 1 1HB TYR 1 -14.300 -2.494 1.469 7 HD1 TYR 1 1HD TYR 1 -17.400 -4.411 1.488 8 HD2 TYR 1 2HD TYR 1 -15.172 -1.379 3.476 9 HE1 TYR 1 1HE TYR 1 -18.840 -4.657 3.467 10 HE2 TYR 1 2HE TYR 1 -16.604 -1.619 5.459 11 HH TYR 1 HH TYR 1 -19.528 -3.369 5.420 12 H THR 2 H THR 2 -14.303 0.103 1.287 13 HA THR 2 HA THR 2 -12.561 0.445 -1.067 14 HB THR 2 HB THR 2 -13.089 2.585 0.990 15 HG1 THR 2 1HG THR 2 -15.068 2.235 0.090 16 1HG2 THR 2 1HG2 THR 2 -12.396 4.113 -0.750 17 2HG2 THR 2 2HG2 THR 2 -12.154 2.766 -1.863 18 3HG2 THR 2 3HG2 THR 2 -11.134 2.923 -0.434 19 H ILE 3 H ILE 3 -10.435 0.151 -0.772 20 HA ILE 3 HA ILE 3 -9.324 0.299 1.926 21 HB ILE 3 HB ILE 3 -9.227 -2.144 0.177 22 1HG1 ILE 3 2HG1 ILE 3 -9.770 -1.781 3.125 23 2HG1 ILE 3 1HG1 ILE 3 -11.020 -1.854 1.887 24 1HG2 ILE 3 1HG2 ILE 3 -6.910 -1.594 0.833 25 2HG2 ILE 3 2HG2 ILE 3 -7.490 -3.069 1.603 26 3HG2 ILE 3 3HG2 ILE 3 -7.414 -1.566 2.522 27 1HD1 ILE 3 1HD1 ILE 3 -9.148 -4.097 1.832 28 2HD1 ILE 3 2HD1 ILE 3 -10.909 -4.078 1.743 29 3HD1 ILE 3 3HD1 ILE 3 -10.104 -3.973 3.309 30 H ALA 4 H ALA 4 -7.286 0.991 2.039 31 HA ALA 4 HA ALA 4 -5.957 1.624 -0.513 32 1HB ALA 4 1HB ALA 4 -4.935 3.132 1.718 33 2HB ALA 4 2HB ALA 4 -6.685 3.314 1.584 34 3HB ALA 4 3HB ALA 4 -5.651 3.701 0.209 35 H ALA 5 H ALA 5 -3.852 1.098 -0.831 36 HA ALA 5 HA ALA 5 -2.360 -0.148 1.367 37 1HB ALA 5 1HB ALA 5 -1.607 -1.695 -0.757 38 2HB ALA 5 2HB ALA 5 -3.330 -1.468 -1.059 39 3HB ALA 5 3HB ALA 5 -2.786 -2.158 0.470 40 H LEU 6 H LEU 6 -0.268 0.436 1.435 41 HA LEU 6 HA LEU 6 0.867 1.772 -0.931 42 1HB LEU 6 2HB LEU 6 0.281 3.467 0.689 43 2HB LEU 6 1HB LEU 6 1.114 2.592 1.960 44 HG LEU 6 HG LEU 6 3.262 2.971 0.752 45 1HD1 LEU 6 1HD1 LEU 6 3.102 3.519 -1.404 46 2HD1 LEU 6 2HD1 LEU 6 2.732 5.150 -0.846 47 3HD1 LEU 6 3HD1 LEU 6 1.424 4.034 -1.237 48 1HD2 LEU 6 1HD2 LEU 6 2.268 4.464 2.580 49 2HD2 LEU 6 2HD2 LEU 6 1.893 5.591 1.276 50 3HD2 LEU 6 3HD2 LEU 6 3.567 5.134 1.593 51 H LEU 7 H LEU 7 2.664 0.852 -1.636 52 HA LEU 7 HA LEU 7 4.399 -0.540 0.289 53 1HB LEU 7 2HB LEU 7 3.613 -1.527 -2.469 54 2HB LEU 7 1HB LEU 7 4.754 -2.316 -1.397 55 HG LEU 7 HG LEU 7 1.797 -1.967 -0.904 56 1HD1 LEU 7 1HD1 LEU 7 1.481 -4.054 -1.661 57 2HD1 LEU 7 2HD1 LEU 7 2.996 -4.643 -0.978 58 3HD1 LEU 7 3HD1 LEU 7 2.997 -3.786 -2.519 59 1HD2 LEU 7 1HD2 LEU 7 3.334 -1.854 1.123 60 2HD2 LEU 7 2HD2 LEU 7 3.719 -3.539 0.785 61 3HD2 LEU 7 3HD2 LEU 7 2.059 -3.070 1.150 62 H SER 8 H SER 8 6.389 0.365 0.267 63 HA SER 8 HA SER 8 7.373 1.480 -2.262 64 1HB SER 8 2HB SER 8 6.795 2.953 -0.016 65 2HB SER 8 1HB SER 8 8.516 2.628 0.193 66 HG SER 8 HG SER 8 7.412 4.436 -1.356 67 HA PRO 9 HA PRO 9 10.386 -1.717 -1.279 68 1HB PRO 9 2HB PRO 9 11.359 -1.874 -3.798 69 2HB PRO 9 1HB PRO 9 9.843 -2.643 -3.313 70 1HG PRO 9 2HG PRO 9 10.283 -0.070 -4.774 71 2HG PRO 9 1HG PRO 9 9.064 -1.326 -5.057 72 1HD PRO 9 2HD PRO 9 8.551 0.999 -3.723 73 2HD PRO 9 1HD PRO 9 7.671 -0.513 -3.426 74 H TYR 10 H TYR 10 12.521 -1.612 -0.791 75 HA TYR 10 HA TYR 10 14.054 0.711 -1.739 76 1HB TYR 10 2HB TYR 10 13.709 -0.247 1.097 77 2HB TYR 10 1HB TYR 10 15.102 0.712 0.612 78 HD1 TYR 10 1HD TYR 10 11.900 0.878 1.976 79 HD2 TYR 10 2HD TYR 10 14.443 2.917 -0.759 80 HE1 TYR 10 1HE TYR 10 10.590 2.933 2.299 81 HE2 TYR 10 2HE TYR 10 13.139 4.978 -0.444 82 HH TYR 10 HH TYR 10 10.183 5.016 1.466 83 H SER 11 H SER 11 16.340 0.413 -1.782 84 HA SER 11 HA SER 11 17.148 -2.422 -1.763 85 1HB SER 11 2HB SER 11 17.394 -0.375 -3.804 86 2HB SER 11 1HB SER 11 18.970 -1.039 -3.378 87 HG SER 11 HG SER 11 16.675 -2.509 -4.174 Start of MODEL 2 1 1H TYR 1 1H TYR 1 -15.817 -2.816 -0.964 2 2H TYR 1 2H TYR 1 -17.132 -1.729 -1.149 3 3H TYR 1 3H TYR 1 -17.092 -2.811 0.182 4 HA TYR 1 HA TYR 1 -16.429 -0.345 0.435 5 1HB TYR 1 2HB TYR 1 -15.433 -2.868 1.641 6 2HB TYR 1 1HB TYR 1 -14.556 -1.402 2.068 7 HD1 TYR 1 1HD TYR 1 -18.063 -2.686 1.859 8 HD2 TYR 1 2HD TYR 1 -15.290 -0.172 3.883 9 HE1 TYR 1 1HE TYR 1 -19.777 -2.157 3.539 10 HE2 TYR 1 2HE TYR 1 -16.999 0.362 5.571 11 HH TYR 1 HH TYR 1 -19.926 0.220 5.334 12 H THR 2 H THR 2 -14.321 0.776 0.860 13 HA THR 2 HA THR 2 -12.544 0.356 -1.436 14 HB THR 2 HB THR 2 -12.453 2.774 0.334 15 HG1 THR 2 1HG THR 2 -14.581 2.751 -0.137 16 1HG2 THR 2 1HG2 THR 2 -11.605 2.085 -2.402 17 2HG2 THR 2 2HG2 THR 2 -10.869 3.164 -1.218 18 3HG2 THR 2 3HG2 THR 2 -12.261 3.704 -2.158 19 H ILE 3 H ILE 3 -10.372 0.036 -1.224 20 HA ILE 3 HA ILE 3 -9.243 -0.024 1.485 21 HB ILE 3 HB ILE 3 -9.215 -2.265 -0.512 22 1HG1 ILE 3 2HG1 ILE 3 -9.443 -2.503 2.459 23 2HG1 ILE 3 1HG1 ILE 3 -10.822 -1.917 1.535 24 1HG2 ILE 3 1HG2 ILE 3 -6.890 -1.979 -0.029 25 2HG2 ILE 3 2HG2 ILE 3 -7.468 -3.344 0.926 26 3HG2 ILE 3 3HG2 ILE 3 -7.216 -1.776 1.691 27 1HD1 ILE 3 1HD1 ILE 3 -10.836 -3.958 0.228 28 2HD1 ILE 3 2HD1 ILE 3 -10.945 -4.315 1.951 29 3HD1 ILE 3 3HD1 ILE 3 -9.418 -4.542 1.099 30 H ALA 4 H ALA 4 -7.183 0.645 1.670 31 HA ALA 4 HA ALA 4 -5.664 1.167 -0.790 32 1HB ALA 4 1HB ALA 4 -6.819 3.240 -0.066 33 2HB ALA 4 2HB ALA 4 -5.061 3.374 -0.067 34 3HB ALA 4 3HB ALA 4 -5.928 3.161 1.454 35 H ALA 5 H ALA 5 -3.548 0.714 -0.678 36 HA ALA 5 HA ALA 5 -2.271 0.392 1.935 37 1HB ALA 5 1HB ALA 5 -1.201 -1.750 0.864 38 2HB ALA 5 2HB ALA 5 -2.684 -1.757 -0.089 39 3HB ALA 5 3HB ALA 5 -2.767 -1.834 1.670 40 H LEU 6 H LEU 6 -0.299 1.290 1.954 41 HA LEU 6 HA LEU 6 0.900 1.997 -0.635 42 1HB LEU 6 2HB LEU 6 0.350 3.855 0.893 43 2HB LEU 6 1HB LEU 6 1.420 3.163 2.097 44 HG LEU 6 HG LEU 6 3.345 3.540 0.653 45 1HD1 LEU 6 1HD1 LEU 6 3.086 3.681 -1.543 46 2HD1 LEU 6 2HD1 LEU 6 2.330 5.259 -1.325 47 3HD1 LEU 6 3HD1 LEU 6 1.335 3.802 -1.369 48 1HD2 LEU 6 1HD2 LEU 6 3.404 5.950 0.758 49 2HD2 LEU 6 2HD2 LEU 6 2.582 5.319 2.185 50 3HD2 LEU 6 3HD2 LEU 6 1.645 6.021 0.865 51 H LEU 7 H LEU 7 2.612 0.902 -1.291 52 HA LEU 7 HA LEU 7 4.460 -0.194 0.716 53 1HB LEU 7 2HB LEU 7 3.480 -1.612 -1.778 54 2HB LEU 7 1HB LEU 7 4.693 -2.230 -0.673 55 HG LEU 7 HG LEU 7 1.777 -1.771 -0.046 56 1HD1 LEU 7 1HD1 LEU 7 1.546 -4.112 -0.003 57 2HD1 LEU 7 2HD1 LEU 7 3.290 -4.367 -0.069 58 3HD1 LEU 7 3HD1 LEU 7 2.433 -3.752 -1.483 59 1HD2 LEU 7 1HD2 LEU 7 3.433 -1.326 1.829 60 2HD2 LEU 7 2HD2 LEU 7 3.821 -3.043 1.750 61 3HD2 LEU 7 3HD2 LEU 7 2.181 -2.526 2.142 62 H SER 8 H SER 8 6.457 0.661 0.403 63 HA SER 8 HA SER 8 7.174 1.503 -2.315 64 1HB SER 8 2HB SER 8 7.591 2.709 0.353 65 2HB SER 8 1HB SER 8 8.968 2.795 -0.746 66 HG SER 8 HG SER 8 7.706 4.585 -1.111 67 HA PRO 9 HA PRO 9 9.908 -2.051 -1.862 68 1HB PRO 9 2HB PRO 9 10.524 -1.298 -4.651 69 2HB PRO 9 1HB PRO 9 9.946 -2.836 -4.004 70 1HG PRO 9 2HG PRO 9 8.347 -1.224 -5.432 71 2HG PRO 9 1HG PRO 9 7.731 -2.190 -4.078 72 1HD PRO 9 2HD PRO 9 8.385 0.728 -4.183 73 2HD PRO 9 1HD PRO 9 7.039 -0.100 -3.371 74 H TYR 10 H TYR 10 12.071 -2.209 -1.493 75 HA TYR 10 HA TYR 10 13.721 0.155 -2.099 76 1HB TYR 10 2HB TYR 10 13.339 -1.333 0.443 77 2HB TYR 10 1HB TYR 10 14.976 -0.801 0.074 78 HD1 TYR 10 1HD TYR 10 11.515 0.348 0.664 79 HD2 TYR 10 2HD TYR 10 15.591 1.491 0.250 80 HE1 TYR 10 1HE TYR 10 10.963 2.594 1.503 81 HE2 TYR 10 2HE TYR 10 15.052 3.739 1.087 82 HH TYR 10 HH TYR 10 13.112 5.220 1.276 83 H SER 11 H SER 11 15.556 -0.227 -3.175 84 HA SER 11 HA SER 11 16.603 -2.976 -3.231 85 1HB SER 11 2HB SER 11 17.108 -2.712 -5.623 86 2HB SER 11 1HB SER 11 15.379 -2.539 -5.321 87 HG SER 11 HG SER 11 16.368 -0.922 -6.735 Start of MODEL 3 1 1H TYR 1 1H TYR 1 -17.150 0.701 2.171 2 2H TYR 1 2H TYR 1 -17.062 -0.009 3.730 3 3H TYR 1 3H TYR 1 -16.158 -0.673 2.431 4 HA TYR 1 HA TYR 1 -15.785 2.082 3.356 5 1HB TYR 1 2HB TYR 1 -14.824 -0.507 4.502 6 2HB TYR 1 1HB TYR 1 -13.720 0.863 4.494 7 HD1 TYR 1 1HD TYR 1 -16.520 -0.683 6.125 8 HD2 TYR 1 2HD TYR 1 -14.451 3.003 5.642 9 HE1 TYR 1 1HE TYR 1 -17.577 0.173 8.175 10 HE2 TYR 1 2HE TYR 1 -15.502 3.869 7.689 11 HH TYR 1 HH TYR 1 -17.436 3.476 9.075 12 H THR 2 H THR 2 -13.503 2.724 2.877 13 HA THR 2 HA THR 2 -12.737 1.674 0.246 14 HB THR 2 HB THR 2 -11.949 4.265 1.596 15 HG1 THR 2 1HG THR 2 -13.538 5.185 0.493 16 1HG2 THR 2 1HG2 THR 2 -11.638 4.661 -1.072 17 2HG2 THR 2 2HG2 THR 2 -11.075 2.999 -0.888 18 3HG2 THR 2 3HG2 THR 2 -10.335 4.291 0.059 19 H ILE 3 H ILE 3 -10.970 0.474 0.034 20 HA ILE 3 HA ILE 3 -9.072 0.386 2.274 21 HB ILE 3 HB ILE 3 -9.801 -1.643 0.183 22 1HG1 ILE 3 2HG1 ILE 3 -9.541 -1.897 3.176 23 2HG1 ILE 3 1HG1 ILE 3 -11.031 -1.405 2.379 24 1HG2 ILE 3 1HG2 ILE 3 -7.434 -1.766 0.153 25 2HG2 ILE 3 2HG2 ILE 3 -7.977 -3.067 1.213 26 3HG2 ILE 3 3HG2 ILE 3 -7.330 -1.580 1.904 27 1HD1 ILE 3 1HD1 ILE 3 -10.933 -3.556 1.096 28 2HD1 ILE 3 2HD1 ILE 3 -11.211 -3.716 2.830 29 3HD1 ILE 3 3HD1 ILE 3 -9.612 -4.039 2.158 30 H ALA 4 H ALA 4 -6.962 0.771 2.020 31 HA ALA 4 HA ALA 4 -5.961 1.348 -0.686 32 1HB ALA 4 1HB ALA 4 -5.902 3.517 -0.184 33 2HB ALA 4 2HB ALA 4 -4.616 3.133 0.959 34 3HB ALA 4 3HB ALA 4 -6.290 3.208 1.508 35 H ALA 5 H ALA 5 -3.925 0.659 -1.110 36 HA ALA 5 HA ALA 5 -2.303 -0.339 1.128 37 1HB ALA 5 1HB ALA 5 -1.710 -2.120 -0.863 38 2HB ALA 5 2HB ALA 5 -3.445 -1.889 -1.070 39 3HB ALA 5 3HB ALA 5 -2.805 -2.422 0.485 40 H LEU 6 H LEU 6 -0.351 0.533 1.106 41 HA LEU 6 HA LEU 6 0.853 1.255 -1.481 42 1HB LEU 6 2HB LEU 6 0.015 3.275 -0.378 43 2HB LEU 6 1HB LEU 6 0.931 2.878 1.064 44 HG LEU 6 HG LEU 6 3.028 3.159 -0.191 45 1HD1 LEU 6 1HD1 LEU 6 3.066 3.994 -2.427 46 2HD1 LEU 6 2HD1 LEU 6 1.308 4.145 -2.460 47 3HD1 LEU 6 3HD1 LEU 6 2.056 2.548 -2.408 48 1HD2 LEU 6 1HD2 LEU 6 2.841 5.619 -0.526 49 2HD2 LEU 6 2HD2 LEU 6 2.210 5.055 1.022 50 3HD2 LEU 6 3HD2 LEU 6 1.099 5.474 -0.283 51 H LEU 7 H LEU 7 2.819 0.437 -1.789 52 HA LEU 7 HA LEU 7 4.380 -0.403 0.564 53 1HB LEU 7 2HB LEU 7 4.079 -1.884 -2.065 54 2HB LEU 7 1HB LEU 7 5.124 -2.371 -0.743 55 HG LEU 7 HG LEU 7 2.108 -2.269 -0.694 56 1HD1 LEU 7 1HD1 LEU 7 2.947 -4.810 -0.048 57 2HD1 LEU 7 2HD1 LEU 7 4.050 -4.333 -1.337 58 3HD1 LEU 7 3HD1 LEU 7 2.308 -4.290 -1.607 59 1HD2 LEU 7 1HD2 LEU 7 3.129 -1.624 1.463 60 2HD2 LEU 7 2HD2 LEU 7 4.008 -3.152 1.473 61 3HD2 LEU 7 3HD2 LEU 7 2.245 -3.147 1.545 62 H SER 8 H SER 8 6.306 0.652 0.654 63 HA SER 8 HA SER 8 7.368 1.800 -1.813 64 1HB SER 8 2HB SER 8 8.538 3.366 -0.464 65 2HB SER 8 1HB SER 8 6.932 3.238 0.251 66 HG SER 8 HG SER 8 7.795 1.865 1.825 67 HA PRO 9 HA PRO 9 10.275 -1.620 -1.464 68 1HB PRO 9 2HB PRO 9 11.016 -1.558 -4.051 69 2HB PRO 9 1HB PRO 9 9.472 -2.246 -3.536 70 1HG PRO 9 2HG PRO 9 10.048 0.449 -4.704 71 2HG PRO 9 1HG PRO 9 8.719 -0.666 -5.069 72 1HD PRO 9 2HD PRO 9 8.468 1.493 -3.411 73 2HD PRO 9 1HD PRO 9 7.485 0.022 -3.263 74 H TYR 10 H TYR 10 12.383 -1.562 -0.956 75 HA TYR 10 HA TYR 10 13.979 0.743 -1.860 76 1HB TYR 10 2HB TYR 10 13.702 -0.436 0.885 77 2HB TYR 10 1HB TYR 10 15.206 0.353 0.418 78 HD1 TYR 10 1HD TYR 10 11.942 0.830 1.724 79 HD2 TYR 10 2HD TYR 10 15.001 2.766 -0.511 80 HE1 TYR 10 1HE TYR 10 10.955 3.014 2.277 81 HE2 TYR 10 2HE TYR 10 14.023 4.955 0.035 82 HH TYR 10 HH TYR 10 11.916 5.912 0.727 83 H SER 11 H SER 11 15.755 0.196 -2.938 84 HA SER 11 HA SER 11 17.471 -1.013 -3.810 85 1HB SER 11 2HB SER 11 18.837 -2.187 -2.330 86 2HB SER 11 1HB SER 11 17.962 -1.106 -1.247 87 HG SER 11 HG SER 11 16.776 -2.764 -0.519 Start of MODEL 4 1 1H TYR 1 1H TYR 1 -17.245 -0.226 -0.139 2 2H TYR 1 2H TYR 1 -17.528 -1.276 1.189 3 3H TYR 1 3H TYR 1 -16.344 -1.676 0.013 4 HA TYR 1 HA TYR 1 -16.215 0.746 1.665 5 1HB TYR 1 2HB TYR 1 -15.412 -2.084 2.224 6 2HB TYR 1 1HB TYR 1 -14.414 -0.775 2.847 7 HD1 TYR 1 1HD TYR 1 -17.293 -2.782 3.408 8 HD2 TYR 1 2HD TYR 1 -15.610 1.032 4.254 9 HE1 TYR 1 1HE TYR 1 -18.820 -2.540 5.321 10 HE2 TYR 1 2HE TYR 1 -17.130 1.284 6.171 11 HH TYR 1 HH TYR 1 -18.513 0.084 7.600 12 H THR 2 H THR 2 -13.948 1.492 1.795 13 HA THR 2 HA THR 2 -12.526 0.937 -0.724 14 HB THR 2 HB THR 2 -12.321 3.441 0.954 15 HG1 THR 2 1HG THR 2 -14.442 3.105 0.052 16 1HG2 THR 2 1HG2 THR 2 -11.286 4.463 -0.890 17 2HG2 THR 2 2HG2 THR 2 -11.664 3.106 -1.953 18 3HG2 THR 2 3HG2 THR 2 -10.469 2.916 -0.670 19 H ILE 3 H ILE 3 -10.443 0.296 -0.671 20 HA ILE 3 HA ILE 3 -9.120 0.212 1.960 21 HB ILE 3 HB ILE 3 -9.213 -1.886 -0.187 22 1HG1 ILE 3 2HG1 ILE 3 -9.432 -2.253 2.782 23 2HG1 ILE 3 1HG1 ILE 3 -10.808 -1.675 1.848 24 1HG2 ILE 3 1HG2 ILE 3 -7.030 -1.321 1.741 25 2HG2 ILE 3 2HG2 ILE 3 -6.967 -2.069 0.144 26 3HG2 ILE 3 3HG2 ILE 3 -7.513 -3.006 1.536 27 1HD1 ILE 3 1HD1 ILE 3 -10.833 -3.677 0.539 28 2HD1 ILE 3 2HD1 ILE 3 -10.810 -4.116 2.249 29 3HD1 ILE 3 3HD1 ILE 3 -9.336 -4.235 1.287 30 H ALA 4 H ALA 4 -7.048 0.818 2.100 31 HA ALA 4 HA ALA 4 -5.759 1.760 -0.380 32 1HB ALA 4 1HB ALA 4 -5.595 2.906 2.403 33 2HB ALA 4 2HB ALA 4 -6.372 3.634 0.997 34 3HB ALA 4 3HB ALA 4 -4.619 3.446 1.037 35 H ALA 5 H ALA 5 -3.899 0.829 -0.907 36 HA ALA 5 HA ALA 5 -2.268 -0.395 1.213 37 1HB ALA 5 1HB ALA 5 -1.734 -2.241 -0.393 38 2HB ALA 5 2HB ALA 5 -3.028 -1.633 -1.425 39 3HB ALA 5 3HB ALA 5 -3.398 -2.230 0.193 40 H LEU 6 H LEU 6 -0.442 0.741 1.267 41 HA LEU 6 HA LEU 6 0.801 1.505 -1.294 42 1HB LEU 6 2HB LEU 6 0.040 3.475 -0.120 43 2HB LEU 6 1HB LEU 6 0.838 2.955 1.351 44 HG LEU 6 HG LEU 6 3.015 3.312 0.367 45 1HD1 LEU 6 1HD1 LEU 6 2.925 4.534 -1.959 46 2HD1 LEU 6 2HD1 LEU 6 1.432 3.610 -2.134 47 3HD1 LEU 6 3HD1 LEU 6 2.960 2.773 -1.855 48 1HD2 LEU 6 1HD2 LEU 6 3.006 5.668 0.260 49 2HD2 LEU 6 2HD2 LEU 6 1.674 5.233 1.331 50 3HD2 LEU 6 3HD2 LEU 6 1.346 5.712 -0.335 51 H LEU 7 H LEU 7 2.607 0.443 -1.702 52 HA LEU 7 HA LEU 7 4.308 -0.389 0.556 53 1HB LEU 7 2HB LEU 7 3.816 -1.875 -2.041 54 2HB LEU 7 1HB LEU 7 4.920 -2.383 -0.779 55 HG LEU 7 HG LEU 7 1.915 -2.220 -0.570 56 1HD1 LEU 7 1HD1 LEU 7 2.615 -4.126 -1.846 57 2HD1 LEU 7 2HD1 LEU 7 2.122 -4.671 -0.242 58 3HD1 LEU 7 3HD1 LEU 7 3.834 -4.541 -0.642 59 1HD2 LEU 7 1HD2 LEU 7 2.077 -2.255 1.644 60 2HD2 LEU 7 2HD2 LEU 7 3.805 -1.947 1.482 61 3HD2 LEU 7 3HD2 LEU 7 3.212 -3.602 1.589 62 H SER 8 H SER 8 6.257 0.632 0.516 63 HA SER 8 HA SER 8 7.242 1.577 -2.080 64 1HB SER 8 2HB SER 8 6.783 3.034 0.213 65 2HB SER 8 1HB SER 8 8.514 2.707 0.309 66 HG SER 8 HG SER 8 7.215 3.771 -1.978 67 HA PRO 9 HA PRO 9 10.355 -1.539 -1.164 68 1HB PRO 9 2HB PRO 9 10.912 -2.098 -3.719 69 2HB PRO 9 1HB PRO 9 9.415 -2.657 -2.963 70 1HG PRO 9 2HG PRO 9 9.858 -0.360 -4.820 71 2HG PRO 9 1HG PRO 9 8.507 -1.504 -4.755 72 1HD PRO 9 2HD PRO 9 8.490 1.056 -3.677 73 2HD PRO 9 1HD PRO 9 7.393 -0.257 -3.208 74 H TYR 10 H TYR 10 12.547 -1.379 -1.022 75 HA TYR 10 HA TYR 10 13.913 0.687 -2.588 76 1HB TYR 10 2HB TYR 10 13.364 0.844 0.219 77 2HB TYR 10 1HB TYR 10 15.103 0.691 -0.013 78 HD1 TYR 10 1HD TYR 10 12.139 2.731 -0.858 79 HD2 TYR 10 2HD TYR 10 16.387 2.494 -0.876 80 HE1 TYR 10 1HE TYR 10 12.263 5.122 -1.420 81 HE2 TYR 10 2HE TYR 10 16.524 4.885 -1.436 82 HH TYR 10 HH TYR 10 15.356 6.816 -1.599 83 H SER 11 H SER 11 16.016 0.232 -3.127 84 HA SER 11 HA SER 11 17.074 -2.356 -2.201 85 1HB SER 11 2HB SER 11 17.762 -1.338 -4.924 86 2HB SER 11 1HB SER 11 17.648 -2.999 -4.344 87 HG SER 11 HG SER 11 15.812 -2.873 -5.407 Start of MODEL 5 1 1H TYR 1 1H TYR 1 -17.683 0.477 0.262 2 2H TYR 1 2H TYR 1 -17.827 -0.707 1.495 3 3H TYR 1 3H TYR 1 -16.818 -0.997 0.139 4 HA TYR 1 HA TYR 1 -16.345 1.318 1.846 5 1HB TYR 1 2HB TYR 1 -15.875 -1.572 2.464 6 2HB TYR 1 1HB TYR 1 -14.669 -0.394 2.972 7 HD1 TYR 1 1HD TYR 1 -18.234 -1.339 3.296 8 HD2 TYR 1 2HD TYR 1 -15.026 0.973 4.870 9 HE1 TYR 1 1HE TYR 1 -19.588 -0.825 5.284 10 HE2 TYR 1 2HE TYR 1 -16.372 1.492 6.864 11 HH TYR 1 HH TYR 1 -18.419 0.245 8.079 12 H THR 2 H THR 2 -14.049 1.858 1.794 13 HA THR 2 HA THR 2 -12.751 0.924 -0.681 14 HB THR 2 HB THR 2 -12.598 3.674 0.567 15 HG1 THR 2 1HG THR 2 -14.603 3.180 -0.477 16 1HG2 THR 2 1HG2 THR 2 -10.998 4.237 -0.857 17 2HG2 THR 2 2HG2 THR 2 -11.807 3.438 -2.205 18 3HG2 THR 2 3HG2 THR 2 -10.765 2.511 -1.126 19 H ILE 3 H ILE 3 -10.666 0.293 -0.588 20 HA ILE 3 HA ILE 3 -9.183 0.734 1.910 21 HB ILE 3 HB ILE 3 -9.671 -1.889 0.534 22 1HG1 ILE 3 2HG1 ILE 3 -9.592 -1.154 3.459 23 2HG1 ILE 3 1HG1 ILE 3 -11.053 -1.091 2.477 24 1HG2 ILE 3 1HG2 ILE 3 -7.279 -1.098 2.164 25 2HG2 ILE 3 2HG2 ILE 3 -7.338 -1.978 0.636 26 3HG2 ILE 3 3HG2 ILE 3 -7.853 -2.766 2.128 27 1HD1 ILE 3 1HD1 ILE 3 -9.942 -3.638 2.081 28 2HD1 ILE 3 2HD1 ILE 3 -11.409 -3.215 2.966 29 3HD1 ILE 3 3HD1 ILE 3 -9.865 -3.316 3.813 30 H ALA 4 H ALA 4 -7.061 1.153 1.696 31 HA ALA 4 HA ALA 4 -5.864 0.901 -0.979 32 1HB ALA 4 1HB ALA 4 -6.618 3.220 -0.655 33 2HB ALA 4 2HB ALA 4 -4.864 3.099 -0.795 34 3HB ALA 4 3HB ALA 4 -5.608 3.332 0.787 35 H ALA 5 H ALA 5 -3.775 0.247 -1.025 36 HA ALA 5 HA ALA 5 -2.445 -0.155 1.575 37 1HB ALA 5 1HB ALA 5 -1.646 -2.218 0.906 38 2HB ALA 5 2HB ALA 5 -1.818 -1.844 -0.810 39 3HB ALA 5 3HB ALA 5 -3.247 -2.189 0.165 40 H LEU 6 H LEU 6 -0.342 0.469 1.798 41 HA LEU 6 HA LEU 6 0.866 1.830 -0.519 42 1HB LEU 6 2HB LEU 6 0.263 3.379 1.252 43 2HB LEU 6 1HB LEU 6 1.151 2.424 2.424 44 HG LEU 6 HG LEU 6 3.256 2.988 1.355 45 1HD1 LEU 6 1HD1 LEU 6 1.530 4.456 -0.629 46 2HD1 LEU 6 2HD1 LEU 6 2.614 3.100 -0.944 47 3HD1 LEU 6 3HD1 LEU 6 3.275 4.669 -0.483 48 1HD2 LEU 6 1HD2 LEU 6 2.066 5.672 1.455 49 2HD2 LEU 6 2HD2 LEU 6 3.409 4.986 2.371 50 3HD2 LEU 6 3HD2 LEU 6 1.748 4.659 2.863 51 H LEU 7 H LEU 7 2.610 0.895 -1.319 52 HA LEU 7 HA LEU 7 4.470 -0.477 0.490 53 1HB LEU 7 2HB LEU 7 3.449 -1.590 -2.140 54 2HB LEU 7 1HB LEU 7 4.703 -2.317 -1.155 55 HG LEU 7 HG LEU 7 1.795 -2.009 -0.414 56 1HD1 LEU 7 1HD1 LEU 7 3.462 -4.212 -1.478 57 2HD1 LEU 7 2HD1 LEU 7 1.758 -3.845 -1.746 58 3HD1 LEU 7 3HD1 LEU 7 2.268 -4.618 -0.245 59 1HD2 LEU 7 1HD2 LEU 7 3.055 -3.712 1.393 60 2HD2 LEU 7 2HD2 LEU 7 2.460 -2.084 1.706 61 3HD2 LEU 7 3HD2 LEU 7 4.142 -2.332 1.237 62 H SER 8 H SER 8 6.460 0.425 0.239 63 HA SER 8 HA SER 8 7.226 1.346 -2.437 64 1HB SER 8 2HB SER 8 8.204 2.786 0.000 65 2HB SER 8 1HB SER 8 8.030 3.377 -1.652 66 HG SER 8 HG SER 8 5.957 2.857 0.214 67 HA PRO 9 HA PRO 9 10.507 -1.490 -1.238 68 1HB PRO 9 2HB PRO 9 11.257 -2.049 -3.763 69 2HB PRO 9 1HB PRO 9 9.808 -2.754 -3.039 70 1HG PRO 9 2HG PRO 9 10.053 -0.454 -4.933 71 2HG PRO 9 1HG PRO 9 8.858 -1.763 -4.909 72 1HD PRO 9 2HD PRO 9 8.395 0.754 -3.922 73 2HD PRO 9 1HD PRO 9 7.549 -0.701 -3.360 74 H TYR 10 H TYR 10 12.593 -1.034 -0.819 75 HA TYR 10 HA TYR 10 13.907 1.086 -2.384 76 1HB TYR 10 2HB TYR 10 13.708 0.781 0.594 77 2HB TYR 10 1HB TYR 10 15.091 1.602 -0.122 78 HD1 TYR 10 1HD TYR 10 11.570 1.832 0.713 79 HD2 TYR 10 2HD TYR 10 14.746 3.691 -1.422 80 HE1 TYR 10 1HE TYR 10 10.262 3.910 0.587 81 HE2 TYR 10 2HE TYR 10 13.447 5.775 -1.552 82 HH TYR 10 HH TYR 10 10.135 5.925 -0.787 83 H SER 11 H SER 11 16.189 0.942 -2.548 84 HA SER 11 HA SER 11 17.638 -1.247 -1.419 85 1HB SER 11 2HB SER 11 18.209 -2.106 -3.839 86 2HB SER 11 1HB SER 11 16.769 -2.693 -3.008 87 HG SER 11 HG SER 11 16.565 -1.892 -5.276 Start of MODEL 6 1 1H TYR 1 1H TYR 1 -15.538 -2.521 -3.792 2 2H TYR 1 2H TYR 1 -16.885 -2.062 -2.833 3 3H TYR 1 3H TYR 1 -16.415 -3.709 -2.922 4 HA TYR 1 HA TYR 1 -15.771 -2.113 -0.948 5 1HB TYR 1 2HB TYR 1 -14.238 -4.392 -2.205 6 2HB TYR 1 1HB TYR 1 -13.815 -3.723 -0.632 7 HD1 TYR 1 1HD TYR 1 -16.091 -5.861 -2.465 8 HD2 TYR 1 2HD TYR 1 -15.421 -3.918 1.260 9 HE1 TYR 1 1HE TYR 1 -17.748 -7.334 -1.404 10 HE2 TYR 1 2HE TYR 1 -17.077 -5.387 2.331 11 HH TYR 1 HH TYR 1 -19.182 -7.405 0.527 12 H THR 2 H THR 2 -13.736 -1.226 -0.143 13 HA THR 2 HA THR 2 -11.960 -0.187 -2.235 14 HB THR 2 HB THR 2 -13.073 1.511 0.004 15 HG1 THR 2 1HG THR 2 -14.384 2.428 -1.515 16 1HG2 THR 2 1HG2 THR 2 -11.179 2.041 -2.230 17 2HG2 THR 2 2HG2 THR 2 -11.114 2.564 -0.546 18 3HG2 THR 2 3HG2 THR 2 -12.248 3.325 -1.663 19 H ILE 3 H ILE 3 -9.847 -0.222 -1.713 20 HA ILE 3 HA ILE 3 -9.094 -0.529 1.101 21 HB ILE 3 HB ILE 3 -8.389 -2.430 -1.114 22 1HG1 ILE 3 2HG1 ILE 3 -9.148 -2.972 1.750 23 2HG1 ILE 3 1HG1 ILE 3 -10.347 -2.755 0.478 24 1HG2 ILE 3 1HG2 ILE 3 -6.820 -3.387 0.770 25 2HG2 ILE 3 2HG2 ILE 3 -6.769 -1.700 1.278 26 3HG2 ILE 3 3HG2 ILE 3 -6.244 -2.149 -0.344 27 1HD1 ILE 3 1HD1 ILE 3 -8.488 -5.003 0.974 28 2HD1 ILE 3 2HD1 ILE 3 -8.885 -4.619 -0.700 29 3HD1 ILE 3 3HD1 ILE 3 -10.169 -5.013 0.441 30 H ALA 4 H ALA 4 -7.235 0.424 1.674 31 HA ALA 4 HA ALA 4 -5.655 1.687 -0.472 32 1HB ALA 4 1HB ALA 4 -7.187 3.025 1.372 33 2HB ALA 4 2HB ALA 4 -5.841 3.707 0.459 34 3HB ALA 4 3HB ALA 4 -5.576 3.083 2.085 35 H ALA 5 H ALA 5 -3.631 1.021 -0.538 36 HA ALA 5 HA ALA 5 -2.216 0.434 1.954 37 1HB ALA 5 1HB ALA 5 -1.702 -1.450 -0.265 38 2HB ALA 5 2HB ALA 5 -3.226 -1.638 0.603 39 3HB ALA 5 3HB ALA 5 -1.696 -1.719 1.478 40 H LEU 6 H LEU 6 -0.213 1.253 1.974 41 HA LEU 6 HA LEU 6 0.943 2.106 -0.598 42 1HB LEU 6 2HB LEU 6 0.281 4.044 0.648 43 2HB LEU 6 1HB LEU 6 1.053 3.440 2.101 44 HG LEU 6 HG LEU 6 3.253 3.740 1.095 45 1HD1 LEU 6 1HD1 LEU 6 2.548 5.323 -1.182 46 2HD1 LEU 6 2HD1 LEU 6 1.815 3.726 -1.325 47 3HD1 LEU 6 3HD1 LEU 6 3.557 3.880 -1.096 48 1HD2 LEU 6 1HD2 LEU 6 2.028 6.350 0.485 49 2HD2 LEU 6 2HD2 LEU 6 3.348 5.940 1.582 50 3HD2 LEU 6 3HD2 LEU 6 1.675 5.684 2.080 51 H LEU 7 H LEU 7 2.503 0.709 -1.086 52 HA LEU 7 HA LEU 7 4.487 0.073 0.996 53 1HB LEU 7 2HB LEU 7 3.468 -1.768 -1.187 54 2HB LEU 7 1HB LEU 7 4.746 -2.157 -0.051 55 HG LEU 7 HG LEU 7 1.836 -1.702 0.610 56 1HD1 LEU 7 1HD1 LEU 7 3.595 -4.129 0.463 57 2HD1 LEU 7 2HD1 LEU 7 2.034 -3.845 -0.308 58 3HD1 LEU 7 3HD1 LEU 7 2.123 -4.102 1.435 59 1HD2 LEU 7 1HD2 LEU 7 3.341 -0.817 2.351 60 2HD2 LEU 7 2HD2 LEU 7 4.113 -2.398 2.459 61 3HD2 LEU 7 3HD2 LEU 7 2.415 -2.214 2.898 62 H SER 8 H SER 8 6.454 0.895 0.474 63 HA SER 8 HA SER 8 7.028 1.405 -2.351 64 1HB SER 8 2HB SER 8 8.932 2.820 -1.178 65 2HB SER 8 1HB SER 8 7.294 3.458 -1.327 66 HG SER 8 HG SER 8 8.208 3.636 0.807 67 HA PRO 9 HA PRO 9 9.845 -2.045 -1.697 68 1HB PRO 9 2HB PRO 9 10.046 -2.674 -4.308 69 2HB PRO 9 1HB PRO 9 8.625 -3.103 -3.347 70 1HG PRO 9 2HG PRO 9 9.003 -0.843 -5.269 71 2HG PRO 9 1HG PRO 9 7.596 -1.899 -5.045 72 1HD PRO 9 2HD PRO 9 7.794 0.633 -4.006 73 2HD PRO 9 1HD PRO 9 6.789 -0.649 -3.303 74 H TYR 10 H TYR 10 12.047 -2.214 -1.883 75 HA TYR 10 HA TYR 10 13.455 -0.293 -3.590 76 1HB TYR 10 2HB TYR 10 13.330 -0.209 -0.709 77 2HB TYR 10 1HB TYR 10 14.987 -0.476 -1.235 78 HD1 TYR 10 1HD TYR 10 12.725 1.983 -0.377 79 HD2 TYR 10 2HD TYR 10 15.621 1.098 -3.364 80 HE1 TYR 10 1HE TYR 10 12.947 4.384 -0.863 81 HE2 TYR 10 2HE TYR 10 15.853 3.497 -3.857 82 HH TYR 10 HH TYR 10 14.613 5.557 -3.612 83 H SER 11 H SER 11 14.979 -1.257 -4.750 84 HA SER 11 HA SER 11 15.694 -4.004 -4.164 85 1HB SER 11 2HB SER 11 15.569 -2.351 -6.512 86 2HB SER 11 1HB SER 11 17.178 -3.062 -6.385 87 HG SER 11 HG SER 11 16.352 -4.911 -6.912 Start of MODEL 7 1 1H TYR 1 1H TYR 1 -17.444 -1.600 0.723 2 2H TYR 1 2H TYR 1 -16.830 -3.004 1.494 3 3H TYR 1 3H TYR 1 -16.147 -2.465 0.014 4 HA TYR 1 HA TYR 1 -16.143 -0.447 2.006 5 1HB TYR 1 2HB TYR 1 -14.795 -3.099 2.539 6 2HB TYR 1 1HB TYR 1 -14.278 -1.599 3.301 7 HD1 TYR 1 1HD TYR 1 -16.720 -4.269 3.302 8 HD2 TYR 1 2HD TYR 1 -15.828 -0.409 4.849 9 HE1 TYR 1 1HE TYR 1 -18.404 -4.594 5.064 10 HE2 TYR 1 2HE TYR 1 -17.509 -0.722 6.616 11 HH TYR 1 HH TYR 1 -18.746 -3.594 7.493 12 H THR 2 H THR 2 -14.025 0.599 2.017 13 HA THR 2 HA THR 2 -12.559 0.100 -0.490 14 HB THR 2 HB THR 2 -12.812 2.695 1.044 15 HG1 THR 2 1HG THR 2 -14.752 1.969 -0.027 16 1HG2 THR 2 1HG2 THR 2 -11.654 2.143 -1.676 17 2HG2 THR 2 2HG2 THR 2 -10.766 2.648 -0.238 18 3HG2 THR 2 3HG2 THR 2 -11.933 3.740 -0.984 19 H ILE 3 H ILE 3 -10.399 -0.239 -0.422 20 HA ILE 3 HA ILE 3 -9.056 0.101 2.176 21 HB ILE 3 HB ILE 3 -8.885 -2.234 0.288 22 1HG1 ILE 3 2HG1 ILE 3 -9.142 -2.283 3.272 23 2HG1 ILE 3 1HG1 ILE 3 -10.552 -1.977 2.260 24 1HG2 ILE 3 1HG2 ILE 3 -7.111 -2.978 2.088 25 2HG2 ILE 3 2HG2 ILE 3 -6.865 -1.238 2.239 26 3HG2 ILE 3 3HG2 ILE 3 -6.632 -2.029 0.680 27 1HD1 ILE 3 1HD1 ILE 3 -10.336 -4.330 2.912 28 2HD1 ILE 3 2HD1 ILE 3 -8.786 -4.406 2.075 29 3HD1 ILE 3 3HD1 ILE 3 -10.266 -4.106 1.164 30 H ALA 4 H ALA 4 -7.078 0.945 2.192 31 HA ALA 4 HA ALA 4 -5.906 1.694 -0.410 32 1HB ALA 4 1HB ALA 4 -5.057 3.717 0.628 33 2HB ALA 4 2HB ALA 4 -5.745 3.235 2.179 34 3HB ALA 4 3HB ALA 4 -6.808 3.620 0.825 35 H ALA 5 H ALA 5 -3.974 0.850 -0.823 36 HA ALA 5 HA ALA 5 -2.201 0.195 1.427 37 1HB ALA 5 1HB ALA 5 -3.559 -1.743 0.140 38 2HB ALA 5 2HB ALA 5 -1.971 -1.977 0.871 39 3HB ALA 5 3HB ALA 5 -2.108 -1.660 -0.858 40 H LEU 6 H LEU 6 -0.139 0.808 1.166 41 HA LEU 6 HA LEU 6 0.705 1.680 -1.521 42 1HB LEU 6 2HB LEU 6 0.347 3.548 0.065 43 2HB LEU 6 1HB LEU 6 1.542 2.842 1.136 44 HG LEU 6 HG LEU 6 3.302 3.233 -0.464 45 1HD1 LEU 6 1HD1 LEU 6 1.077 3.487 -2.309 46 2HD1 LEU 6 2HD1 LEU 6 2.777 3.142 -2.626 47 3HD1 LEU 6 3HD1 LEU 6 2.231 4.811 -2.464 48 1HD2 LEU 6 1HD2 LEU 6 3.092 5.750 -0.686 49 2HD2 LEU 6 2HD2 LEU 6 2.944 5.088 0.942 50 3HD2 LEU 6 3HD2 LEU 6 1.501 5.582 0.057 51 H LEU 7 H LEU 7 2.542 0.835 -2.310 52 HA LEU 7 HA LEU 7 4.050 -0.981 -0.567 53 1HB LEU 7 2HB LEU 7 3.949 -0.781 -3.590 54 2HB LEU 7 1HB LEU 7 4.872 -1.970 -2.690 55 HG LEU 7 HG LEU 7 1.866 -1.732 -2.804 56 1HD1 LEU 7 1HD1 LEU 7 3.607 -2.945 -4.555 57 2HD1 LEU 7 2HD1 LEU 7 1.898 -3.331 -4.357 58 3HD1 LEU 7 3HD1 LEU 7 3.119 -4.266 -3.494 59 1HD2 LEU 7 1HD2 LEU 7 1.898 -3.810 -1.435 60 2HD2 LEU 7 2HD2 LEU 7 2.459 -2.377 -0.573 61 3HD2 LEU 7 3HD2 LEU 7 3.623 -3.558 -1.173 62 H SER 8 H SER 8 5.976 -0.297 0.215 63 HA SER 8 HA SER 8 7.406 1.789 -1.269 64 1HB SER 8 2HB SER 8 6.537 2.012 1.260 65 2HB SER 8 1HB SER 8 8.087 1.232 1.571 66 HG SER 8 HG SER 8 8.969 2.949 0.156 67 HA PRO 9 HA PRO 9 10.155 -1.718 -1.920 68 1HB PRO 9 2HB PRO 9 11.555 -0.505 -3.907 69 2HB PRO 9 1HB PRO 9 9.984 -1.274 -4.164 70 1HG PRO 9 2HG PRO 9 10.642 1.621 -3.800 71 2HG PRO 9 1HG PRO 9 9.499 0.864 -4.925 72 1HD PRO 9 2HD PRO 9 8.728 2.054 -2.607 73 2HD PRO 9 1HD PRO 9 7.852 0.691 -3.329 74 H TYR 10 H TYR 10 12.134 -2.160 -1.118 75 HA TYR 10 HA TYR 10 13.913 0.070 -0.429 76 1HB TYR 10 2HB TYR 10 12.488 -0.802 1.542 77 2HB TYR 10 1HB TYR 10 13.507 -2.236 1.462 78 HD1 TYR 10 1HD TYR 10 13.942 1.481 1.481 79 HD2 TYR 10 2HD TYR 10 15.296 -2.290 2.910 80 HE1 TYR 10 1HE TYR 10 15.635 2.617 2.856 81 HE2 TYR 10 2HE TYR 10 16.993 -1.165 4.291 82 HH TYR 10 HH TYR 10 18.041 1.803 3.860 83 H SER 11 H SER 11 15.991 -0.282 -0.935 84 HA SER 11 HA SER 11 16.698 -2.910 -2.007 85 1HB SER 11 2HB SER 11 18.551 -1.797 -3.099 86 2HB SER 11 1HB SER 11 17.085 -0.863 -3.386 87 HG SER 11 HG SER 11 17.756 0.493 -1.622 Start of MODEL 8 1 1H TYR 1 1H TYR 1 -16.590 -1.658 0.131 2 2H TYR 1 2H TYR 1 -17.454 -0.177 0.043 3 3H TYR 1 3H TYR 1 -17.670 -1.221 1.388 4 HA TYR 1 HA TYR 1 -16.264 0.762 1.762 5 1HB TYR 1 2HB TYR 1 -15.332 -2.071 2.216 6 2HB TYR 1 1HB TYR 1 -14.502 -0.693 2.929 7 HD1 TYR 1 1HD TYR 1 -16.852 -3.151 3.560 8 HD2 TYR 1 2HD TYR 1 -16.226 1.018 4.128 9 HE1 TYR 1 1HE TYR 1 -18.441 -3.174 5.437 10 HE2 TYR 1 2HE TYR 1 -17.813 1.007 6.007 11 HH TYR 1 HH TYR 1 -19.926 -0.664 6.621 12 H THR 2 H THR 2 -13.916 1.354 1.768 13 HA THR 2 HA THR 2 -12.706 0.764 -0.854 14 HB THR 2 HB THR 2 -12.397 3.284 0.790 15 HG1 THR 2 1HG THR 2 -13.883 4.182 -0.507 16 1HG2 THR 2 1HG2 THR 2 -11.846 3.805 -1.881 17 2HG2 THR 2 2HG2 THR 2 -10.999 2.300 -1.523 18 3HG2 THR 2 3HG2 THR 2 -10.696 3.737 -0.545 19 H ILE 3 H ILE 3 -10.612 0.130 -0.938 20 HA ILE 3 HA ILE 3 -9.165 -0.043 1.624 21 HB ILE 3 HB ILE 3 -9.328 -2.050 -0.609 22 1HG1 ILE 3 2HG1 ILE 3 -9.439 -2.633 2.316 23 2HG1 ILE 3 1HG1 ILE 3 -10.831 -1.878 1.548 24 1HG2 ILE 3 1HG2 ILE 3 -7.102 -1.558 1.288 25 2HG2 ILE 3 2HG2 ILE 3 -7.076 -2.251 -0.334 26 3HG2 ILE 3 3HG2 ILE 3 -7.589 -3.234 1.037 27 1HD1 ILE 3 1HD1 ILE 3 -10.609 -3.816 -0.159 28 2HD1 ILE 3 2HD1 ILE 3 -11.347 -4.111 1.415 29 3HD1 ILE 3 3HD1 ILE 3 -9.675 -4.590 1.121 30 H ALA 4 H ALA 4 -7.089 0.555 1.693 31 HA ALA 4 HA ALA 4 -5.771 1.310 -0.821 32 1HB ALA 4 1HB ALA 4 -5.141 3.433 -0.045 33 2HB ALA 4 2HB ALA 4 -5.614 3.062 1.613 34 3HB ALA 4 3HB ALA 4 -6.848 3.284 0.371 35 H ALA 5 H ALA 5 -3.670 0.773 -0.950 36 HA ALA 5 HA ALA 5 -2.319 -0.109 1.517 37 1HB ALA 5 1HB ALA 5 -1.231 -1.889 0.251 38 2HB ALA 5 2HB ALA 5 -2.120 -1.412 -1.196 39 3HB ALA 5 3HB ALA 5 -2.987 -2.053 0.199 40 H LEU 6 H LEU 6 -0.231 0.530 1.793 41 HA LEU 6 HA LEU 6 0.999 2.067 -0.398 42 1HB LEU 6 2HB LEU 6 0.152 3.625 1.243 43 2HB LEU 6 1HB LEU 6 0.935 2.743 2.540 44 HG LEU 6 HG LEU 6 3.112 3.423 1.789 45 1HD1 LEU 6 1HD1 LEU 6 1.651 4.092 -0.674 46 2HD1 LEU 6 2HD1 LEU 6 3.312 3.543 -0.447 47 3HD1 LEU 6 3HD1 LEU 6 2.903 5.240 -0.198 48 1HD2 LEU 6 1HD2 LEU 6 2.825 5.317 2.906 49 2HD2 LEU 6 2HD2 LEU 6 1.088 5.229 2.616 50 3HD2 LEU 6 3HD2 LEU 6 2.130 6.073 1.472 51 H LEU 7 H LEU 7 2.571 0.740 -1.076 52 HA LEU 7 HA LEU 7 4.583 -0.084 0.896 53 1HB LEU 7 2HB LEU 7 3.469 -1.826 -1.323 54 2HB LEU 7 1HB LEU 7 4.816 -2.257 -0.286 55 HG LEU 7 HG LEU 7 1.946 -1.873 0.563 56 1HD1 LEU 7 1HD1 LEU 7 1.787 -4.155 0.759 57 2HD1 LEU 7 2HD1 LEU 7 3.531 -4.376 0.905 58 3HD1 LEU 7 3HD1 LEU 7 2.817 -4.009 -0.664 59 1HD2 LEU 7 1HD2 LEU 7 2.767 -1.364 2.569 60 2HD2 LEU 7 2HD2 LEU 7 4.416 -1.743 2.074 61 3HD2 LEU 7 3HD2 LEU 7 3.353 -3.024 2.652 62 H SER 8 H SER 8 6.509 0.800 0.332 63 HA SER 8 HA SER 8 7.042 1.197 -2.528 64 1HB SER 8 2HB SER 8 8.260 2.900 -0.367 65 2HB SER 8 1HB SER 8 8.100 3.250 -2.088 66 HG SER 8 HG SER 8 6.587 4.345 -0.619 67 HA PRO 9 HA PRO 9 10.356 -1.588 -1.294 68 1HB PRO 9 2HB PRO 9 10.734 -2.607 -3.751 69 2HB PRO 9 1HB PRO 9 9.354 -3.080 -2.751 70 1HG PRO 9 2HG PRO 9 9.469 -1.147 -5.029 71 2HG PRO 9 1HG PRO 9 8.223 -2.345 -4.640 72 1HD PRO 9 2HD PRO 9 8.035 0.336 -4.049 73 2HD PRO 9 1HD PRO 9 7.169 -0.943 -3.175 74 H TYR 10 H TYR 10 12.498 -1.210 -1.257 75 HA TYR 10 HA TYR 10 13.562 0.818 -3.105 76 1HB TYR 10 2HB TYR 10 13.838 0.398 -0.237 77 2HB TYR 10 1HB TYR 10 15.401 0.538 -1.035 78 HD1 TYR 10 1HD TYR 10 12.558 2.309 0.227 79 HD2 TYR 10 2HD TYR 10 15.805 2.578 -2.513 80 HE1 TYR 10 1HE TYR 10 12.312 4.754 0.184 81 HE2 TYR 10 2HE TYR 10 15.565 5.025 -2.562 82 HH TYR 10 HH TYR 10 13.363 6.668 -2.040 83 H SER 11 H SER 11 15.335 0.385 -4.331 84 HA SER 11 HA SER 11 17.054 -1.850 -3.816 85 1HB SER 11 2HB SER 11 14.746 -2.217 -5.527 86 2HB SER 11 1HB SER 11 16.240 -2.468 -6.429 87 HG SER 11 HG SER 11 15.118 -4.214 -4.944 Start of MODEL 9 1 1H TYR 1 1H TYR 1 -16.172 -1.625 -0.679 2 2H TYR 1 2H TYR 1 -17.187 -0.287 -0.329 3 3H TYR 1 3H TYR 1 -17.437 -1.787 0.466 4 HA TYR 1 HA TYR 1 -16.340 -0.069 1.809 5 1HB TYR 1 2HB TYR 1 -15.367 -2.816 1.224 6 2HB TYR 1 1HB TYR 1 -14.340 -1.817 2.246 7 HD1 TYR 1 1HD TYR 1 -17.122 -4.007 2.172 8 HD2 TYR 1 2HD TYR 1 -15.505 -0.684 4.279 9 HE1 TYR 1 1HE TYR 1 -18.524 -4.564 4.113 10 HE2 TYR 1 2HE TYR 1 -16.903 -1.230 6.227 11 HH TYR 1 HH TYR 1 -19.012 -2.443 6.697 12 H THR 2 H THR 2 -14.078 0.632 2.402 13 HA THR 2 HA THR 2 -12.592 1.365 -0.037 14 HB THR 2 HB THR 2 -12.572 2.945 2.530 15 HG1 THR 2 1HG THR 2 -14.379 3.863 1.996 16 1HG2 THR 2 1HG2 THR 2 -11.510 4.591 1.412 17 2HG2 THR 2 2HG2 THR 2 -12.276 4.196 -0.128 18 3HG2 THR 2 3HG2 THR 2 -10.927 3.224 0.462 19 H ILE 3 H ILE 3 -10.498 0.826 -0.158 20 HA ILE 3 HA ILE 3 -9.059 0.138 2.297 21 HB ILE 3 HB ILE 3 -9.433 -1.677 -0.070 22 1HG1 ILE 3 2HG1 ILE 3 -9.526 -2.233 2.888 23 2HG1 ILE 3 1HG1 ILE 3 -10.931 -1.722 1.957 24 1HG2 ILE 3 1HG2 ILE 3 -7.441 -2.664 0.147 25 2HG2 ILE 3 2HG2 ILE 3 -7.570 -2.701 1.904 26 3HG2 ILE 3 3HG2 ILE 3 -6.940 -1.270 1.099 27 1HD1 ILE 3 1HD1 ILE 3 -11.281 -3.919 1.748 28 2HD1 ILE 3 2HD1 ILE 3 -9.600 -4.326 2.092 29 3HD1 ILE 3 3HD1 ILE 3 -10.069 -3.809 0.472 30 H ALA 4 H ALA 4 -6.972 0.672 2.320 31 HA ALA 4 HA ALA 4 -5.827 1.778 -0.163 32 1HB ALA 4 1HB ALA 4 -6.054 2.951 2.536 33 2HB ALA 4 2HB ALA 4 -6.013 3.732 0.954 34 3HB ALA 4 3HB ALA 4 -4.514 3.189 1.709 35 H ALA 5 H ALA 5 -3.954 0.930 -0.783 36 HA ALA 5 HA ALA 5 -2.163 -0.254 1.207 37 1HB ALA 5 1HB ALA 5 -2.287 -2.361 0.460 38 2HB ALA 5 2HB ALA 5 -2.340 -1.860 -1.230 39 3HB ALA 5 3HB ALA 5 -3.816 -1.862 -0.264 40 H LEU 6 H LEU 6 -0.229 0.625 0.939 41 HA LEU 6 HA LEU 6 0.634 1.331 -1.789 42 1HB LEU 6 2HB LEU 6 0.167 3.341 -0.515 43 2HB LEU 6 1HB LEU 6 1.187 2.784 0.797 44 HG LEU 6 HG LEU 6 3.148 2.911 -0.735 45 1HD1 LEU 6 1HD1 LEU 6 1.402 4.474 -2.603 46 2HD1 LEU 6 2HD1 LEU 6 1.632 2.736 -2.798 47 3HD1 LEU 6 3HD1 LEU 6 3.018 3.823 -2.874 48 1HD2 LEU 6 1HD2 LEU 6 1.701 5.028 0.494 49 2HD2 LEU 6 2HD2 LEU 6 2.402 5.635 -1.005 50 3HD2 LEU 6 3HD2 LEU 6 3.437 4.894 0.217 51 H LEU 7 H LEU 7 2.576 0.609 -2.445 52 HA LEU 7 HA LEU 7 4.157 -0.946 -0.511 53 1HB LEU 7 2HB LEU 7 4.039 -1.138 -3.535 54 2HB LEU 7 1HB LEU 7 4.994 -2.173 -2.490 55 HG LEU 7 HG LEU 7 1.981 -2.033 -2.583 56 1HD1 LEU 7 1HD1 LEU 7 2.237 -3.430 -4.295 57 2HD1 LEU 7 2HD1 LEU 7 2.783 -4.613 -3.107 58 3HD1 LEU 7 3HD1 LEU 7 3.961 -3.634 -3.982 59 1HD2 LEU 7 1HD2 LEU 7 3.125 -4.269 -1.154 60 2HD2 LEU 7 2HD2 LEU 7 1.877 -3.129 -0.653 61 3HD2 LEU 7 3HD2 LEU 7 3.578 -2.732 -0.422 62 H SER 8 H SER 8 6.061 -0.050 0.133 63 HA SER 8 HA SER 8 7.398 1.800 -1.715 64 1HB SER 8 2HB SER 8 6.385 2.483 0.725 65 2HB SER 8 1HB SER 8 8.038 2.050 1.154 66 HG SER 8 HG SER 8 8.784 3.563 -0.330 67 HA PRO 9 HA PRO 9 10.327 -1.619 -1.727 68 1HB PRO 9 2HB PRO 9 11.773 0.514 -3.228 69 2HB PRO 9 1HB PRO 9 11.513 -1.182 -3.651 70 1HG PRO 9 2HG PRO 9 10.112 0.762 -4.830 71 2HG PRO 9 1HG PRO 9 9.371 -0.800 -4.434 72 1HD PRO 9 2HD PRO 9 9.049 1.843 -3.103 73 2HD PRO 9 1HD PRO 9 7.884 0.516 -3.282 74 H TYR 10 H TYR 10 12.156 -2.045 -0.565 75 HA TYR 10 HA TYR 10 13.282 0.193 0.987 76 1HB TYR 10 2HB TYR 10 12.818 -2.697 1.678 77 2HB TYR 10 1HB TYR 10 14.020 -1.748 2.544 78 HD1 TYR 10 1HD TYR 10 10.753 -2.863 2.667 79 HD2 TYR 10 2HD TYR 10 13.042 0.666 3.308 80 HE1 TYR 10 1HE TYR 10 8.991 -1.996 4.146 81 HE2 TYR 10 2HE TYR 10 11.286 1.543 4.790 82 HH TYR 10 HH TYR 10 8.671 1.109 5.004 83 H SER 11 H SER 11 15.423 0.588 0.885 84 HA SER 11 HA SER 11 17.238 -1.439 -0.146 85 1HB SER 11 2HB SER 11 16.667 -0.422 -2.216 86 2HB SER 11 1HB SER 11 16.724 1.197 -1.523 87 HG SER 11 HG SER 11 18.709 1.212 -2.190 Start of MODEL 10 1 1H TYR 1 1H TYR 1 -18.035 -0.822 1.914 2 2H TYR 1 2H TYR 1 -17.133 -1.070 0.476 3 3H TYR 1 3H TYR 1 -17.637 0.511 0.913 4 HA TYR 1 HA TYR 1 -16.222 0.554 2.751 5 1HB TYR 1 2HB TYR 1 -15.885 -2.360 2.070 6 2HB TYR 1 1HB TYR 1 -14.694 -1.509 3.049 7 HD1 TYR 1 1HD TYR 1 -18.197 -2.645 2.903 8 HD2 TYR 1 2HD TYR 1 -15.140 -0.952 5.329 9 HE1 TYR 1 1HE TYR 1 -19.574 -3.036 4.900 10 HE2 TYR 1 2HE TYR 1 -16.510 -1.336 7.333 11 HH TYR 1 HH TYR 1 -19.535 -1.717 7.450 12 H THR 2 H THR 2 -13.879 0.872 2.649 13 HA THR 2 HA THR 2 -12.753 0.678 -0.052 14 HB THR 2 HB THR 2 -12.563 3.183 1.624 15 HG1 THR 2 1HG THR 2 -14.220 2.740 -0.631 16 1HG2 THR 2 1HG2 THR 2 -11.800 2.549 -1.206 17 2HG2 THR 2 2HG2 THR 2 -10.775 3.149 0.098 18 3HG2 THR 2 3HG2 THR 2 -12.005 4.196 -0.610 19 H ILE 3 H ILE 3 -10.589 0.277 -0.129 20 HA ILE 3 HA ILE 3 -9.077 0.374 2.382 21 HB ILE 3 HB ILE 3 -9.330 -2.020 0.578 22 1HG1 ILE 3 2HG1 ILE 3 -9.405 -1.919 3.574 23 2HG1 ILE 3 1HG1 ILE 3 -10.829 -1.513 2.621 24 1HG2 ILE 3 1HG2 ILE 3 -7.095 -2.255 0.833 25 2HG2 ILE 3 2HG2 ILE 3 -7.537 -2.817 2.445 26 3HG2 ILE 3 3HG2 ILE 3 -7.032 -1.146 2.203 27 1HD1 ILE 3 1HD1 ILE 3 -11.299 -3.682 2.740 28 2HD1 ILE 3 2HD1 ILE 3 -9.657 -4.104 3.227 29 3HD1 ILE 3 3HD1 ILE 3 -10.041 -3.888 1.520 30 H ALA 4 H ALA 4 -7.008 0.963 2.208 31 HA ALA 4 HA ALA 4 -5.976 1.434 -0.514 32 1HB ALA 4 1HB ALA 4 -6.667 3.478 0.845 33 2HB ALA 4 2HB ALA 4 -5.052 3.488 0.138 34 3HB ALA 4 3HB ALA 4 -5.261 3.138 1.854 35 H ALA 5 H ALA 5 -3.924 0.827 -0.965 36 HA ALA 5 HA ALA 5 -2.255 -0.181 1.234 37 1HB ALA 5 1HB ALA 5 -2.422 -1.632 -1.388 38 2HB ALA 5 2HB ALA 5 -3.513 -2.003 -0.053 39 3HB ALA 5 3HB ALA 5 -1.771 -2.197 0.151 40 H LEU 6 H LEU 6 -0.238 0.579 1.181 41 HA LEU 6 HA LEU 6 0.698 1.834 -1.314 42 1HB LEU 6 2HB LEU 6 0.362 3.320 0.675 43 2HB LEU 6 1HB LEU 6 1.621 2.417 1.498 44 HG LEU 6 HG LEU 6 3.248 3.126 -0.195 45 1HD1 LEU 6 1HD1 LEU 6 2.253 5.184 -1.584 46 2HD1 LEU 6 2HD1 LEU 6 0.810 4.174 -1.488 47 3HD1 LEU 6 3HD1 LEU 6 2.289 3.531 -2.199 48 1HD2 LEU 6 1HD2 LEU 6 1.684 5.364 1.084 49 2HD2 LEU 6 2HD2 LEU 6 3.300 5.527 0.398 50 3HD2 LEU 6 3HD2 LEU 6 3.034 4.476 1.790 51 H LEU 7 H LEU 7 2.585 1.215 -2.209 52 HA LEU 7 HA LEU 7 4.079 -0.920 -0.834 53 1HB LEU 7 2HB LEU 7 3.828 -0.325 -3.797 54 2HB LEU 7 1HB LEU 7 4.788 -1.622 -3.111 55 HG LEU 7 HG LEU 7 1.782 -1.372 -3.040 56 1HD1 LEU 7 1HD1 LEU 7 2.261 -2.191 -5.131 57 2HD1 LEU 7 2HD1 LEU 7 2.153 -3.685 -4.199 58 3HD1 LEU 7 3HD1 LEU 7 3.732 -3.005 -4.596 59 1HD2 LEU 7 1HD2 LEU 7 1.842 -3.588 -1.941 60 2HD2 LEU 7 2HD2 LEU 7 2.522 -2.303 -0.941 61 3HD2 LEU 7 3HD2 LEU 7 3.591 -3.429 -1.778 62 H SER 8 H SER 8 6.048 -0.335 -0.065 63 HA SER 8 HA SER 8 7.521 1.756 -1.500 64 1HB SER 8 2HB SER 8 7.563 1.384 1.498 65 2HB SER 8 1HB SER 8 8.264 2.708 0.569 66 HG SER 8 HG SER 8 5.529 2.131 1.003 67 HA PRO 9 HA PRO 9 10.346 -1.747 -1.458 68 1HB PRO 9 2HB PRO 9 11.736 -0.945 -3.619 69 2HB PRO 9 1HB PRO 9 10.138 -1.685 -3.758 70 1HG PRO 9 2HG PRO 9 10.908 1.203 -3.891 71 2HG PRO 9 1HG PRO 9 9.740 0.308 -4.879 72 1HD PRO 9 2HD PRO 9 9.049 1.905 -2.755 73 2HD PRO 9 1HD PRO 9 8.071 0.540 -3.330 74 H TYR 10 H TYR 10 12.219 -1.915 -0.374 75 HA TYR 10 HA TYR 10 13.916 0.481 -0.134 76 1HB TYR 10 2HB TYR 10 12.521 -0.889 1.942 77 2HB TYR 10 1HB TYR 10 14.244 -1.161 2.177 78 HD1 TYR 10 1HD TYR 10 11.537 1.159 2.526 79 HD2 TYR 10 2HD TYR 10 15.774 0.867 2.291 80 HE1 TYR 10 1HE TYR 10 11.741 3.391 3.537 81 HE2 TYR 10 2HE TYR 10 15.990 3.098 3.301 82 HH TYR 10 HH TYR 10 14.505 5.197 3.463 83 H SER 11 H SER 11 16.116 0.175 -0.194 84 HA SER 11 HA SER 11 18.087 -0.816 -0.746 85 1HB SER 11 2HB SER 11 16.710 -2.864 0.914 86 2HB SER 11 1HB SER 11 18.113 -3.395 -0.013 87 HG SER 11 HG SER 11 19.191 -1.502 0.967 Start of MODEL 11 1 1H TYR 1 1H TYR 1 -16.277 -2.224 -2.268 2 2H TYR 1 2H TYR 1 -16.311 -3.708 -1.405 3 3H TYR 1 3H TYR 1 -14.904 -3.252 -2.277 4 HA TYR 1 HA TYR 1 -15.990 -1.639 -0.083 5 1HB TYR 1 2HB TYR 1 -14.350 -4.135 -0.045 6 2HB TYR 1 1HB TYR 1 -13.958 -2.867 1.109 7 HD1 TYR 1 1HD TYR 1 -16.173 -5.584 0.323 8 HD2 TYR 1 2HD TYR 1 -15.766 -2.073 2.691 9 HE1 TYR 1 1HE TYR 1 -17.960 -6.387 1.811 10 HE2 TYR 1 2HE TYR 1 -17.553 -2.866 4.184 11 HH TYR 1 HH TYR 1 -19.686 -5.191 3.434 12 H THR 2 H THR 2 -14.286 -0.285 0.833 13 HA THR 2 HA THR 2 -12.379 0.552 -1.238 14 HB THR 2 HB THR 2 -13.419 2.052 1.174 15 HG1 THR 2 1HG THR 2 -14.765 3.029 -0.188 16 1HG2 THR 2 1HG2 THR 2 -11.910 3.630 0.841 17 2HG2 THR 2 2HG2 THR 2 -12.328 3.721 -0.870 18 3HG2 THR 2 3HG2 THR 2 -11.109 2.570 -0.322 19 H ILE 3 H ILE 3 -10.289 0.114 -0.970 20 HA ILE 3 HA ILE 3 -9.191 0.015 1.737 21 HB ILE 3 HB ILE 3 -9.023 -2.227 -0.256 22 1HG1 ILE 3 2HG1 ILE 3 -9.445 -2.303 2.722 23 2HG1 ILE 3 1HG1 ILE 3 -10.773 -2.060 1.591 24 1HG2 ILE 3 1HG2 ILE 3 -6.825 -2.380 0.209 25 2HG2 ILE 3 2HG2 ILE 3 -7.370 -3.028 1.754 26 3HG2 ILE 3 3HG2 ILE 3 -6.946 -1.324 1.616 27 1HD1 ILE 3 1HD1 ILE 3 -10.005 -4.221 0.490 28 2HD1 ILE 3 2HD1 ILE 3 -10.789 -4.341 2.066 29 3HD1 ILE 3 3HD1 ILE 3 -9.034 -4.471 1.942 30 H ALA 4 H ALA 4 -7.196 0.795 1.938 31 HA ALA 4 HA ALA 4 -5.819 1.628 -0.534 32 1HB ALA 4 1HB ALA 4 -5.620 3.058 2.103 33 2HB ALA 4 2HB ALA 4 -6.842 3.454 0.895 34 3HB ALA 4 3HB ALA 4 -5.130 3.629 0.508 35 H ALA 5 H ALA 5 -3.793 0.933 -0.811 36 HA ALA 5 HA ALA 5 -2.256 0.048 1.527 37 1HB ALA 5 1HB ALA 5 -2.217 -1.576 -0.990 38 2HB ALA 5 2HB ALA 5 -3.436 -1.858 0.253 39 3HB ALA 5 3HB ALA 5 -1.725 -2.035 0.641 40 H LEU 6 H LEU 6 -0.288 0.899 1.549 41 HA LEU 6 HA LEU 6 0.879 1.797 -1.004 42 1HB LEU 6 2HB LEU 6 0.212 3.702 0.336 43 2HB LEU 6 1HB LEU 6 1.079 3.071 1.723 44 HG LEU 6 HG LEU 6 3.208 3.388 0.555 45 1HD1 LEU 6 1HD1 LEU 6 1.502 4.524 -1.654 46 2HD1 LEU 6 2HD1 LEU 6 2.470 3.052 -1.724 47 3HD1 LEU 6 3HD1 LEU 6 3.261 4.621 -1.570 48 1HD2 LEU 6 1HD2 LEU 6 1.602 5.335 1.659 49 2HD2 LEU 6 2HD2 LEU 6 2.111 6.050 0.130 50 3HD2 LEU 6 3HD2 LEU 6 3.319 5.493 1.288 51 H LEU 7 H LEU 7 2.570 0.606 -1.543 52 HA LEU 7 HA LEU 7 4.348 -0.373 0.596 53 1HB LEU 7 2HB LEU 7 3.665 -1.717 -2.035 54 2HB LEU 7 1HB LEU 7 4.810 -2.330 -0.857 55 HG LEU 7 HG LEU 7 1.824 -2.067 -0.516 56 1HD1 LEU 7 1HD1 LEU 7 3.494 -4.550 -0.312 57 2HD1 LEU 7 2HD1 LEU 7 2.845 -3.988 -1.853 58 3HD1 LEU 7 3HD1 LEU 7 1.751 -4.402 -0.533 59 1HD2 LEU 7 1HD2 LEU 7 3.950 -2.833 1.476 60 2HD2 LEU 7 2HD2 LEU 7 2.230 -3.152 1.695 61 3HD2 LEU 7 3HD2 LEU 7 2.811 -1.491 1.581 62 H SER 8 H SER 8 6.335 0.553 0.516 63 HA SER 8 HA SER 8 7.265 1.593 -2.061 64 1HB SER 8 2HB SER 8 6.967 2.997 0.224 65 2HB SER 8 1HB SER 8 8.622 2.427 0.441 66 HG SER 8 HG SER 8 7.594 3.904 -1.754 67 HA PRO 9 HA PRO 9 10.144 -1.827 -1.536 68 1HB PRO 9 2HB PRO 9 10.724 -2.049 -4.153 69 2HB PRO 9 1HB PRO 9 9.205 -2.652 -3.478 70 1HG PRO 9 2HG PRO 9 9.740 -0.127 -4.988 71 2HG PRO 9 1HG PRO 9 8.358 -1.231 -5.104 72 1HD PRO 9 2HD PRO 9 8.341 1.133 -3.696 73 2HD PRO 9 1HD PRO 9 7.275 -0.243 -3.350 74 H TYR 10 H TYR 10 12.317 -1.822 -1.285 75 HA TYR 10 HA TYR 10 13.761 0.596 -2.122 76 1HB TYR 10 2HB TYR 10 13.867 -1.131 0.256 77 2HB TYR 10 1HB TYR 10 15.446 -0.687 -0.385 78 HD1 TYR 10 1HD TYR 10 12.764 0.321 1.691 79 HD2 TYR 10 2HD TYR 10 15.810 1.854 -0.855 80 HE1 TYR 10 1HE TYR 10 12.589 2.505 2.806 81 HE2 TYR 10 2HE TYR 10 15.644 4.041 0.254 82 HH TYR 10 HH TYR 10 13.962 4.503 3.170 83 H SER 11 H SER 11 15.673 0.466 -3.255 84 HA SER 11 HA SER 11 16.747 -2.146 -3.949 85 1HB SER 11 2HB SER 11 15.411 -0.296 -5.901 86 2HB SER 11 1HB SER 11 16.727 -1.340 -6.432 87 HG SER 11 HG SER 11 14.139 -1.974 -5.717 Start of MODEL 12 1 1H TYR 1 1H TYR 1 -17.354 1.273 3.039 2 2H TYR 1 2H TYR 1 -17.395 -0.364 3.551 3 3H TYR 1 3H TYR 1 -16.826 0.033 1.982 4 HA TYR 1 HA TYR 1 -15.515 1.234 4.276 5 1HB TYR 1 2HB TYR 1 -15.239 -1.644 3.386 6 2HB TYR 1 1HB TYR 1 -14.032 -0.813 4.359 7 HD1 TYR 1 1HD TYR 1 -17.147 -2.600 4.379 8 HD2 TYR 1 2HD TYR 1 -14.704 0.045 6.643 9 HE1 TYR 1 1HE TYR 1 -18.374 -3.220 6.417 10 HE2 TYR 1 2HE TYR 1 -15.926 -0.566 8.688 11 HH TYR 1 HH TYR 1 -17.309 -2.705 9.433 12 H THR 2 H THR 2 -13.220 1.520 3.772 13 HA THR 2 HA THR 2 -12.731 1.634 0.868 14 HB THR 2 HB THR 2 -11.476 3.520 2.847 15 HG1 THR 2 1HG THR 2 -13.723 4.262 1.338 16 1HG2 THR 2 1HG2 THR 2 -10.463 3.459 0.641 17 2HG2 THR 2 2HG2 THR 2 -11.277 4.997 0.930 18 3HG2 THR 2 3HG2 THR 2 -12.033 3.779 -0.097 19 H ILE 3 H ILE 3 -10.783 0.937 0.111 20 HA ILE 3 HA ILE 3 -8.937 -0.194 2.109 21 HB ILE 3 HB ILE 3 -9.814 -1.277 -0.551 22 1HG1 ILE 3 2HG1 ILE 3 -9.481 -2.537 2.172 23 2HG1 ILE 3 1HG1 ILE 3 -10.995 -1.899 1.538 24 1HG2 ILE 3 1HG2 ILE 3 -7.898 -3.047 0.281 25 2HG2 ILE 3 2HG2 ILE 3 -7.147 -1.494 0.638 26 3HG2 ILE 3 3HG2 ILE 3 -7.690 -1.853 -1.000 27 1HD1 ILE 3 1HD1 ILE 3 -9.511 -3.983 0.010 28 2HD1 ILE 3 2HD1 ILE 3 -11.236 -3.613 0.025 29 3HD1 ILE 3 3HD1 ILE 3 -10.499 -4.435 1.400 30 H ALA 4 H ALA 4 -6.826 0.237 1.950 31 HA ALA 4 HA ALA 4 -5.855 1.699 -0.402 32 1HB ALA 4 1HB ALA 4 -5.800 2.634 2.439 33 2HB ALA 4 2HB ALA 4 -6.245 3.518 0.979 34 3HB ALA 4 3HB ALA 4 -4.552 3.147 1.304 35 H ALA 5 H ALA 5 -4.022 0.870 -1.142 36 HA ALA 5 HA ALA 5 -2.317 -0.653 0.719 37 1HB ALA 5 1HB ALA 5 -1.956 -2.310 -0.842 38 2HB ALA 5 2HB ALA 5 -2.380 -1.271 -2.201 39 3HB ALA 5 3HB ALA 5 -3.645 -1.899 -1.143 40 H LEU 6 H LEU 6 -0.421 0.278 1.038 41 HA LEU 6 HA LEU 6 0.861 1.681 -1.205 42 1HB LEU 6 2HB LEU 6 -0.046 3.363 0.286 43 2HB LEU 6 1HB LEU 6 0.717 2.597 1.667 44 HG LEU 6 HG LEU 6 2.928 3.162 0.776 45 1HD1 LEU 6 1HD1 LEU 6 3.061 4.729 -1.153 46 2HD1 LEU 6 2HD1 LEU 6 1.353 4.418 -1.461 47 3HD1 LEU 6 3HD1 LEU 6 2.523 3.104 -1.578 48 1HD2 LEU 6 1HD2 LEU 6 2.902 5.381 1.426 49 2HD2 LEU 6 2HD2 LEU 6 1.431 4.755 2.172 50 3HD2 LEU 6 3HD2 LEU 6 1.333 5.689 0.679 51 H LEU 7 H LEU 7 2.636 0.604 -1.715 52 HA LEU 7 HA LEU 7 4.324 -0.444 0.459 53 1HB LEU 7 2HB LEU 7 3.761 -1.747 -2.220 54 2HB LEU 7 1HB LEU 7 4.837 -2.376 -0.985 55 HG LEU 7 HG LEU 7 1.852 -2.035 -0.700 56 1HD1 LEU 7 1HD1 LEU 7 3.589 -4.325 -1.456 57 2HD1 LEU 7 2HD1 LEU 7 1.986 -3.877 -2.039 58 3HD1 LEU 7 3HD1 LEU 7 2.169 -4.635 -0.457 59 1HD2 LEU 7 1HD2 LEU 7 3.621 -3.534 1.187 60 2HD2 LEU 7 2HD2 LEU 7 2.006 -2.879 1.450 61 3HD2 LEU 7 3HD2 LEU 7 3.393 -1.795 1.362 62 H SER 8 H SER 8 6.277 0.556 0.446 63 HA SER 8 HA SER 8 7.306 1.521 -2.129 64 1HB SER 8 2HB SER 8 8.229 2.701 0.457 65 2HB SER 8 1HB SER 8 8.091 3.451 -1.133 66 HG SER 8 HG SER 8 6.381 3.600 0.852 67 HA PRO 9 HA PRO 9 10.418 -1.532 -1.005 68 1HB PRO 9 2HB PRO 9 11.212 -2.006 -3.520 69 2HB PRO 9 1HB PRO 9 9.674 -2.629 -2.909 70 1HG PRO 9 2HG PRO 9 10.199 -0.222 -4.613 71 2HG PRO 9 1HG PRO 9 8.927 -1.446 -4.773 72 1HD PRO 9 2HD PRO 9 8.549 1.007 -3.605 73 2HD PRO 9 1HD PRO 9 7.591 -0.433 -3.208 74 H TYR 10 H TYR 10 12.428 -1.052 -0.361 75 HA TYR 10 HA TYR 10 14.047 0.785 -1.964 76 1HB TYR 10 2HB TYR 10 12.971 1.340 0.681 77 2HB TYR 10 1HB TYR 10 14.729 1.442 0.653 78 HD1 TYR 10 1HD TYR 10 11.625 2.798 -0.810 79 HD2 TYR 10 2HD TYR 10 15.842 3.233 -0.459 80 HE1 TYR 10 1HE TYR 10 11.470 5.041 -1.809 81 HE2 TYR 10 2HE TYR 10 15.700 5.476 -1.456 82 HH TYR 10 HH TYR 10 12.892 6.628 -3.000 83 H SER 11 H SER 11 16.063 0.080 -2.248 84 HA SER 11 HA SER 11 16.908 -2.306 -0.801 85 1HB SER 11 2HB SER 11 18.523 -1.033 -2.982 86 2HB SER 11 1HB SER 11 18.356 -2.739 -2.567 87 HG SER 11 HG SER 11 16.684 -2.870 -3.835 Start of MODEL 13 1 1H TYR 1 1H TYR 1 -17.621 -1.178 0.422 2 2H TYR 1 2H TYR 1 -16.719 -2.589 0.798 3 3H TYR 1 3H TYR 1 -16.318 -1.655 -0.584 4 HA TYR 1 HA TYR 1 -16.281 0.068 1.553 5 1HB TYR 1 2HB TYR 1 -15.253 -2.673 2.148 6 2HB TYR 1 1HB TYR 1 -14.329 -1.297 2.740 7 HD1 TYR 1 1HD TYR 1 -17.871 -2.498 2.647 8 HD2 TYR 1 2HD TYR 1 -14.821 -0.515 4.852 9 HE1 TYR 1 1HE TYR 1 -19.388 -2.320 4.574 10 HE2 TYR 1 2HE TYR 1 -16.329 -0.331 6.785 11 HH TYR 1 HH TYR 1 -18.689 -0.353 7.289 12 H THR 2 H THR 2 -14.016 0.923 1.836 13 HA THR 2 HA THR 2 -12.458 0.535 -0.637 14 HB THR 2 HB THR 2 -12.698 3.100 0.943 15 HG1 THR 2 1HG THR 2 -14.079 2.190 -1.346 16 1HG2 THR 2 1HG2 THR 2 -11.802 4.142 -1.099 17 2HG2 THR 2 2HG2 THR 2 -11.530 2.534 -1.768 18 3HG2 THR 2 3HG2 THR 2 -10.659 3.046 -0.323 19 H ILE 3 H ILE 3 -10.315 0.159 -0.434 20 HA ILE 3 HA ILE 3 -9.096 0.506 2.218 21 HB ILE 3 HB ILE 3 -9.088 -1.974 0.527 22 1HG1 ILE 3 2HG1 ILE 3 -9.344 -1.610 3.511 23 2HG1 ILE 3 1HG1 ILE 3 -10.722 -1.581 2.415 24 1HG2 ILE 3 1HG2 ILE 3 -7.302 -2.765 2.225 25 2HG2 ILE 3 2HG2 ILE 3 -6.968 -1.045 2.431 26 3HG2 ILE 3 3HG2 ILE 3 -6.791 -1.795 0.842 27 1HD1 ILE 3 1HD1 ILE 3 -10.812 -3.762 2.944 28 2HD1 ILE 3 2HD1 ILE 3 -9.102 -3.842 3.367 29 3HD1 ILE 3 3HD1 ILE 3 -9.594 -3.899 1.675 30 H ALA 4 H ALA 4 -7.047 1.220 2.256 31 HA ALA 4 HA ALA 4 -5.807 1.816 -0.349 32 1HB ALA 4 1HB ALA 4 -6.045 3.345 2.165 33 2HB ALA 4 2HB ALA 4 -6.008 3.905 0.493 34 3HB ALA 4 3HB ALA 4 -4.507 3.473 1.311 35 H ALA 5 H ALA 5 -3.946 0.855 -0.833 36 HA ALA 5 HA ALA 5 -2.156 -0.001 1.318 37 1HB ALA 5 1HB ALA 5 -3.370 -1.797 -0.754 38 2HB ALA 5 2HB ALA 5 -3.256 -2.029 0.990 39 3HB ALA 5 3HB ALA 5 -1.813 -2.173 -0.013 40 H LEU 6 H LEU 6 -0.192 0.743 0.912 41 HA LEU 6 HA LEU 6 0.698 0.945 -1.885 42 1HB LEU 6 2HB LEU 6 0.131 3.171 -1.171 43 2HB LEU 6 1HB LEU 6 1.044 2.979 0.313 44 HG LEU 6 HG LEU 6 3.133 2.865 -1.014 45 1HD1 LEU 6 1HD1 LEU 6 1.572 2.229 -3.120 46 2HD1 LEU 6 2HD1 LEU 6 3.210 2.868 -3.264 47 3HD1 LEU 6 3HD1 LEU 6 1.824 3.949 -3.417 48 1HD2 LEU 6 1HD2 LEU 6 3.303 5.189 -1.397 49 2HD2 LEU 6 2HD2 LEU 6 2.151 4.998 -0.076 50 3HD2 LEU 6 3HD2 LEU 6 1.574 5.341 -1.705 51 H LEU 7 H LEU 7 2.591 0.004 -2.288 52 HA LEU 7 HA LEU 7 4.162 -0.976 -0.016 53 1HB LEU 7 2HB LEU 7 4.211 -1.765 -2.942 54 2HB LEU 7 1HB LEU 7 5.154 -2.525 -1.675 55 HG LEU 7 HG LEU 7 2.147 -2.559 -1.928 56 1HD1 LEU 7 1HD1 LEU 7 3.504 -4.002 -3.487 57 2HD1 LEU 7 2HD1 LEU 7 2.352 -4.852 -2.459 58 3HD1 LEU 7 3HD1 LEU 7 4.069 -4.866 -2.058 59 1HD2 LEU 7 1HD2 LEU 7 3.300 -4.385 -0.004 60 2HD2 LEU 7 2HD2 LEU 7 1.977 -3.235 0.183 61 3HD2 LEU 7 3HD2 LEU 7 3.643 -2.706 0.408 62 H SER 8 H SER 8 5.987 0.090 0.542 63 HA SER 8 HA SER 8 7.216 1.870 -1.415 64 1HB SER 8 2HB SER 8 7.487 1.712 1.594 65 2HB SER 8 1HB SER 8 8.382 2.838 0.574 66 HG SER 8 HG SER 8 5.825 2.980 1.472 67 HA PRO 9 HA PRO 9 10.210 -1.480 -1.721 68 1HB PRO 9 2HB PRO 9 11.397 -0.467 -3.955 69 2HB PRO 9 1HB PRO 9 9.907 -1.415 -3.989 70 1HG PRO 9 2HG PRO 9 10.276 1.545 -4.141 71 2HG PRO 9 1HG PRO 9 9.146 0.508 -5.029 72 1HD PRO 9 2HD PRO 9 8.419 2.010 -2.878 73 2HD PRO 9 1HD PRO 9 7.625 0.482 -3.305 74 H TYR 10 H TYR 10 12.247 -1.642 -0.974 75 HA TYR 10 HA TYR 10 13.612 0.845 -0.229 76 1HB TYR 10 2HB TYR 10 13.574 -1.927 0.879 77 2HB TYR 10 1HB TYR 10 15.018 -0.949 1.120 78 HD1 TYR 10 1HD TYR 10 11.410 -1.201 1.832 79 HD2 TYR 10 2HD TYR 10 15.028 0.876 2.662 80 HE1 TYR 10 1HE TYR 10 10.332 -0.104 3.752 81 HE2 TYR 10 2HE TYR 10 13.962 1.977 4.585 82 HH TYR 10 HH TYR 10 11.950 2.428 5.575 83 H SER 11 H SER 11 15.749 1.226 -0.750 84 HA SER 11 HA SER 11 17.319 -0.704 -2.183 85 1HB SER 11 2HB SER 11 17.565 1.009 -4.152 86 2HB SER 11 1HB SER 11 16.205 -0.115 -4.137 87 HG SER 11 HG SER 11 14.878 1.501 -3.876 Start of MODEL 14 1 1H TYR 1 1H TYR 1 -16.386 0.379 3.033 2 2H TYR 1 2H TYR 1 -17.057 1.959 3.013 3 3H TYR 1 3H TYR 1 -17.073 1.036 4.459 4 HA TYR 1 HA TYR 1 -15.378 2.829 4.291 5 1HB TYR 1 2HB TYR 1 -14.787 -0.068 4.878 6 2HB TYR 1 1HB TYR 1 -13.602 1.194 5.195 7 HD1 TYR 1 1HD TYR 1 -16.460 -0.547 6.440 8 HD2 TYR 1 2HD TYR 1 -14.300 3.105 6.756 9 HE1 TYR 1 1HE TYR 1 -17.510 -0.120 8.622 10 HE2 TYR 1 2HE TYR 1 -15.344 3.540 8.939 11 HH TYR 1 HH TYR 1 -17.950 2.345 10.005 12 H THR 2 H THR 2 -13.103 3.152 3.664 13 HA THR 2 HA THR 2 -12.650 2.217 0.914 14 HB THR 2 HB THR 2 -11.368 4.581 2.293 15 HG1 THR 2 1HG THR 2 -13.045 5.726 1.769 16 1HG2 THR 2 1HG2 THR 2 -11.500 3.709 -0.574 17 2HG2 THR 2 2HG2 THR 2 -10.072 4.028 0.411 18 3HG2 THR 2 3HG2 THR 2 -11.114 5.360 -0.091 19 H ILE 3 H ILE 3 -10.808 1.165 0.349 20 HA ILE 3 HA ILE 3 -8.889 0.605 2.513 21 HB ILE 3 HB ILE 3 -9.979 -1.190 0.370 22 1HG1 ILE 3 2HG1 ILE 3 -9.431 -1.768 3.272 23 2HG1 ILE 3 1HG1 ILE 3 -10.911 -0.973 2.746 24 1HG2 ILE 3 1HG2 ILE 3 -7.394 -1.568 1.878 25 2HG2 ILE 3 2HG2 ILE 3 -7.599 -1.450 0.130 26 3HG2 ILE 3 3HG2 ILE 3 -8.231 -2.849 0.999 27 1HD1 ILE 3 1HD1 ILE 3 -9.990 -3.767 2.250 28 2HD1 ILE 3 2HD1 ILE 3 -11.160 -3.003 1.173 29 3HD1 ILE 3 3HD1 ILE 3 -11.530 -3.188 2.887 30 H ALA 4 H ALA 4 -6.768 0.813 2.138 31 HA ALA 4 HA ALA 4 -5.866 1.414 -0.588 32 1HB ALA 4 1HB ALA 4 -4.671 3.038 1.578 33 2HB ALA 4 2HB ALA 4 -6.313 3.448 1.083 34 3HB ALA 4 3HB ALA 4 -5.007 3.455 -0.102 35 H ALA 5 H ALA 5 -3.981 0.487 -1.117 36 HA ALA 5 HA ALA 5 -2.250 -0.527 1.030 37 1HB ALA 5 1HB ALA 5 -1.896 -2.546 -0.571 38 2HB ALA 5 2HB ALA 5 -3.466 -2.073 -1.220 39 3HB ALA 5 3HB ALA 5 -3.310 -2.505 0.482 40 H LEU 6 H LEU 6 -0.367 0.486 0.788 41 HA LEU 6 HA LEU 6 0.740 0.736 -1.928 42 1HB LEU 6 2HB LEU 6 -0.055 2.917 -1.124 43 2HB LEU 6 1HB LEU 6 0.954 2.760 0.300 44 HG LEU 6 HG LEU 6 2.964 2.863 -1.063 45 1HD1 LEU 6 1HD1 LEU 6 2.344 3.659 -3.549 46 2HD1 LEU 6 2HD1 LEU 6 1.014 2.542 -3.252 47 3HD1 LEU 6 3HD1 LEU 6 2.682 1.983 -3.120 48 1HD2 LEU 6 1HD2 LEU 6 1.525 5.147 -2.211 49 2HD2 LEU 6 2HD2 LEU 6 2.936 5.105 -1.154 50 3HD2 LEU 6 3HD2 LEU 6 1.319 4.943 -0.471 51 H LEU 7 H LEU 7 2.748 -0.015 -2.192 52 HA LEU 7 HA LEU 7 4.257 -0.761 0.226 53 1HB LEU 7 2HB LEU 7 4.294 -2.020 -2.531 54 2HB LEU 7 1HB LEU 7 5.275 -2.539 -1.174 55 HG LEU 7 HG LEU 7 2.271 -2.710 -1.400 56 1HD1 LEU 7 1HD1 LEU 7 4.180 -4.405 -2.378 57 2HD1 LEU 7 2HD1 LEU 7 2.526 -4.856 -1.962 58 3HD1 LEU 7 3HD1 LEU 7 3.827 -5.105 -0.797 59 1HD2 LEU 7 1HD2 LEU 7 2.385 -3.847 0.795 60 2HD2 LEU 7 2HD2 LEU 7 2.821 -2.140 0.873 61 3HD2 LEU 7 3HD2 LEU 7 4.080 -3.374 0.918 62 H SER 8 H SER 8 6.052 0.436 0.579 63 HA SER 8 HA SER 8 7.233 1.871 -1.674 64 1HB SER 8 2HB SER 8 6.604 2.626 0.986 65 2HB SER 8 1HB SER 8 8.362 2.635 0.851 66 HG SER 8 HG SER 8 6.479 4.057 -0.712 67 HA PRO 9 HA PRO 9 10.386 -1.318 -1.287 68 1HB PRO 9 2HB PRO 9 11.488 -0.806 -3.711 69 2HB PRO 9 1HB PRO 9 10.017 -1.764 -3.508 70 1HG PRO 9 2HG PRO 9 10.322 1.100 -4.308 71 2HG PRO 9 1HG PRO 9 9.209 -0.127 -4.937 72 1HD PRO 9 2HD PRO 9 8.477 1.791 -3.139 73 2HD PRO 9 1HD PRO 9 7.697 0.200 -3.241 74 H TYR 10 H TYR 10 12.358 -1.144 -0.421 75 HA TYR 10 HA TYR 10 13.952 1.262 -0.936 76 1HB TYR 10 2HB TYR 10 12.839 0.378 1.650 77 2HB TYR 10 1HB TYR 10 14.549 0.794 1.682 78 HD1 TYR 10 1HD TYR 10 11.312 2.058 2.044 79 HD2 TYR 10 2HD TYR 10 15.121 3.087 0.452 80 HE1 TYR 10 1HE TYR 10 10.721 4.441 2.186 81 HE2 TYR 10 2HE TYR 10 14.540 5.473 0.590 82 HH TYR 10 HH TYR 10 12.694 6.826 2.241 83 H SER 11 H SER 11 15.964 0.762 -1.501 84 HA SER 11 HA SER 11 17.019 -1.873 -0.709 85 1HB SER 11 2HB SER 11 16.553 -1.737 -3.124 86 2HB SER 11 1HB SER 11 17.603 -0.326 -3.246 87 HG SER 11 HG SER 11 19.003 -1.864 -3.697 Start of MODEL 15 1 1H TYR 1 1H TYR 1 -16.427 -2.199 -1.025 2 2H TYR 1 2H TYR 1 -16.994 -0.582 -0.916 3 3H TYR 1 3H TYR 1 -17.712 -1.810 0.043 4 HA TYR 1 HA TYR 1 -16.353 -0.659 1.470 5 1HB TYR 1 2HB TYR 1 -15.353 -3.268 0.434 6 2HB TYR 1 1HB TYR 1 -14.336 -2.410 1.585 7 HD1 TYR 1 1HD TYR 1 -17.737 -3.820 1.108 8 HD2 TYR 1 2HD TYR 1 -14.816 -2.462 3.887 9 HE1 TYR 1 1HE TYR 1 -19.095 -4.703 2.958 10 HE2 TYR 1 2HE TYR 1 -16.165 -3.341 5.744 11 HH TYR 1 HH TYR 1 -18.786 -5.447 5.277 12 H THR 2 H THR 2 -14.234 0.196 2.035 13 HA THR 2 HA THR 2 -12.735 1.099 -0.338 14 HB THR 2 HB THR 2 -13.096 2.566 2.284 15 HG1 THR 2 1HG THR 2 -14.550 3.805 1.241 16 1HG2 THR 2 1HG2 THR 2 -10.995 3.143 1.197 17 2HG2 THR 2 2HG2 THR 2 -12.140 4.482 1.142 18 3HG2 THR 2 3HG2 THR 2 -11.862 3.500 -0.296 19 H ILE 3 H ILE 3 -10.629 0.613 -0.421 20 HA ILE 3 HA ILE 3 -9.197 0.021 2.056 21 HB ILE 3 HB ILE 3 -9.525 -1.898 -0.234 22 1HG1 ILE 3 2HG1 ILE 3 -9.595 -2.304 2.753 23 2HG1 ILE 3 1HG1 ILE 3 -11.016 -1.933 1.782 24 1HG2 ILE 3 1HG2 ILE 3 -7.483 -2.375 1.900 25 2HG2 ILE 3 2HG2 ILE 3 -7.044 -1.456 0.461 26 3HG2 ILE 3 3HG2 ILE 3 -7.628 -3.109 0.303 27 1HD1 ILE 3 1HD1 ILE 3 -11.007 -3.994 0.748 28 2HD1 ILE 3 2HD1 ILE 3 -10.504 -4.381 2.393 29 3HD1 ILE 3 3HD1 ILE 3 -9.304 -4.282 1.105 30 H ALA 4 H ALA 4 -7.118 0.594 2.067 31 HA ALA 4 HA ALA 4 -5.957 1.586 -0.453 32 1HB ALA 4 1HB ALA 4 -6.651 3.490 0.869 33 2HB ALA 4 2HB ALA 4 -4.890 3.398 0.838 34 3HB ALA 4 3HB ALA 4 -5.775 2.871 2.269 35 H ALA 5 H ALA 5 -3.869 1.056 -0.859 36 HA ALA 5 HA ALA 5 -2.291 -0.182 1.277 37 1HB ALA 5 1HB ALA 5 -1.687 -2.070 -0.101 38 2HB ALA 5 2HB ALA 5 -2.670 -1.453 -1.430 39 3HB ALA 5 3HB ALA 5 -3.441 -1.991 0.062 40 H LEU 6 H LEU 6 -0.299 0.599 1.330 41 HA LEU 6 HA LEU 6 0.830 1.760 -1.132 42 1HB LEU 6 2HB LEU 6 0.268 3.533 0.412 43 2HB LEU 6 1HB LEU 6 1.111 2.719 1.716 44 HG LEU 6 HG LEU 6 3.245 3.026 0.440 45 1HD1 LEU 6 1HD1 LEU 6 2.195 5.205 -1.176 46 2HD1 LEU 6 2HD1 LEU 6 1.581 3.626 -1.667 47 3HD1 LEU 6 3HD1 LEU 6 3.320 3.915 -1.604 48 1HD2 LEU 6 1HD2 LEU 6 2.888 4.519 2.216 49 2HD2 LEU 6 2HD2 LEU 6 1.626 5.389 1.342 50 3HD2 LEU 6 3HD2 LEU 6 3.311 5.539 0.840 51 H LEU 7 H LEU 7 2.657 0.856 -1.805 52 HA LEU 7 HA LEU 7 4.332 -0.572 0.152 53 1HB LEU 7 2HB LEU 7 3.666 -1.428 -2.678 54 2HB LEU 7 1HB LEU 7 4.788 -2.257 -1.612 55 HG LEU 7 HG LEU 7 1.811 -1.970 -1.207 56 1HD1 LEU 7 1HD1 LEU 7 1.572 -3.978 -2.136 57 2HD1 LEU 7 2HD1 LEU 7 2.960 -4.637 -1.268 58 3HD1 LEU 7 3HD1 LEU 7 3.201 -3.757 -2.777 59 1HD2 LEU 7 1HD2 LEU 7 2.281 -2.169 0.966 60 2HD2 LEU 7 2HD2 LEU 7 3.969 -2.567 0.655 61 3HD2 LEU 7 3HD2 LEU 7 2.739 -3.830 0.594 62 H SER 8 H SER 8 6.334 0.304 0.276 63 HA SER 8 HA SER 8 7.434 1.583 -2.127 64 1HB SER 8 2HB SER 8 6.796 2.894 0.176 65 2HB SER 8 1HB SER 8 8.479 2.469 0.488 66 HG SER 8 HG SER 8 7.500 3.851 -1.792 67 HA PRO 9 HA PRO 9 10.303 -1.830 -1.452 68 1HB PRO 9 2HB PRO 9 11.346 -0.845 -4.024 69 2HB PRO 9 1HB PRO 9 10.728 -2.443 -3.602 70 1HG PRO 9 2HG PRO 9 9.349 -0.760 -5.181 71 2HG PRO 9 1HG PRO 9 8.542 -1.864 -4.053 72 1HD PRO 9 2HD PRO 9 9.060 1.071 -3.791 73 2HD PRO 9 1HD PRO 9 7.627 0.130 -3.324 74 H TYR 10 H TYR 10 12.398 -1.914 -0.763 75 HA TYR 10 HA TYR 10 14.010 0.537 -0.981 76 1HB TYR 10 2HB TYR 10 12.867 -0.482 1.391 77 2HB TYR 10 1HB TYR 10 14.589 -0.840 1.479 78 HD1 TYR 10 1HD TYR 10 12.232 1.488 2.392 79 HD2 TYR 10 2HD TYR 10 16.068 1.274 0.568 80 HE1 TYR 10 1HE TYR 10 12.675 3.810 3.067 81 HE2 TYR 10 2HE TYR 10 16.524 3.595 1.237 82 HH TYR 10 HH TYR 10 15.711 5.185 3.044 83 H SER 11 H SER 11 16.205 0.260 -1.216 84 HA SER 11 HA SER 11 17.108 -2.084 -2.452 85 1HB SER 11 2HB SER 11 18.619 0.223 -1.217 86 2HB SER 11 1HB SER 11 19.403 -1.073 -2.121 87 HG SER 11 HG SER 11 18.986 0.557 -3.557 Start of MODEL 16 1 1H TYR 1 1H TYR 1 -17.335 -1.187 1.600 2 2H TYR 1 2H TYR 1 -16.206 -0.970 0.326 3 3H TYR 1 3H TYR 1 -17.221 0.328 0.808 4 HA TYR 1 HA TYR 1 -16.131 0.622 2.786 5 1HB TYR 1 2HB TYR 1 -14.944 -2.091 2.189 6 2HB TYR 1 1HB TYR 1 -14.322 -1.041 3.457 7 HD1 TYR 1 1HD TYR 1 -16.432 -3.725 2.833 8 HD2 TYR 1 2HD TYR 1 -16.271 -0.111 5.072 9 HE1 TYR 1 1HE TYR 1 -18.113 -4.620 4.388 10 HE2 TYR 1 2HE TYR 1 -17.951 -0.996 6.633 11 HH TYR 1 HH TYR 1 -19.747 -3.836 5.987 12 H THR 2 H THR 2 -13.852 1.332 3.150 13 HA THR 2 HA THR 2 -12.571 1.942 0.569 14 HB THR 2 HB THR 2 -12.309 3.475 3.161 15 HG1 THR 2 1HG THR 2 -13.806 4.880 2.326 16 1HG2 THR 2 1HG2 THR 2 -11.659 5.322 1.559 17 2HG2 THR 2 2HG2 THR 2 -11.446 4.054 0.351 18 3HG2 THR 2 3HG2 THR 2 -10.474 4.043 1.823 19 H ILE 3 H ILE 3 -10.616 1.123 0.185 20 HA ILE 3 HA ILE 3 -8.914 0.393 2.462 21 HB ILE 3 HB ILE 3 -9.695 -1.391 0.175 22 1HG1 ILE 3 2HG1 ILE 3 -9.363 -2.100 3.073 23 2HG1 ILE 3 1HG1 ILE 3 -10.824 -1.301 2.502 24 1HG2 ILE 3 1HG2 ILE 3 -7.211 -1.550 1.871 25 2HG2 ILE 3 2HG2 ILE 3 -7.327 -1.533 0.112 26 3HG2 ILE 3 3HG2 ILE 3 -7.883 -2.940 1.018 27 1HD1 ILE 3 1HD1 ILE 3 -11.374 -3.548 2.465 28 2HD1 ILE 3 2HD1 ILE 3 -9.793 -4.028 1.848 29 3HD1 ILE 3 3HD1 ILE 3 -10.943 -3.211 0.789 30 H ALA 4 H ALA 4 -6.793 0.752 2.220 31 HA ALA 4 HA ALA 4 -5.851 1.680 -0.412 32 1HB ALA 4 1HB ALA 4 -5.962 3.137 2.091 33 2HB ALA 4 2HB ALA 4 -5.645 3.720 0.457 34 3HB ALA 4 3HB ALA 4 -4.326 3.074 1.434 35 H ALA 5 H ALA 5 -4.101 0.665 -1.125 36 HA ALA 5 HA ALA 5 -2.356 -0.691 0.825 37 1HB ALA 5 1HB ALA 5 -3.336 -2.520 -0.150 38 2HB ALA 5 2HB ALA 5 -1.965 -2.282 -1.234 39 3HB ALA 5 3HB ALA 5 -3.567 -1.708 -1.698 40 H LEU 6 H LEU 6 -0.439 0.284 0.855 41 HA LEU 6 HA LEU 6 0.722 1.152 -1.707 42 1HB LEU 6 2HB LEU 6 -0.037 3.115 -0.508 43 2HB LEU 6 1HB LEU 6 0.815 2.602 0.936 44 HG LEU 6 HG LEU 6 2.965 2.860 -0.298 45 1HD1 LEU 6 1HD1 LEU 6 1.650 4.517 -2.359 46 2HD1 LEU 6 2HD1 LEU 6 1.522 2.769 -2.552 47 3HD1 LEU 6 3HD1 LEU 6 3.109 3.531 -2.451 48 1HD2 LEU 6 1HD2 LEU 6 2.064 4.616 1.176 49 2HD2 LEU 6 2HD2 LEU 6 1.249 5.339 -0.212 50 3HD2 LEU 6 3HD2 LEU 6 3.010 5.275 -0.158 51 H LEU 7 H LEU 7 2.688 0.386 -2.121 52 HA LEU 7 HA LEU 7 4.251 -0.745 0.110 53 1HB LEU 7 2HB LEU 7 4.055 -1.745 -2.746 54 2HB LEU 7 1HB LEU 7 5.096 -2.425 -1.509 55 HG LEU 7 HG LEU 7 2.078 -2.438 -1.519 56 1HD1 LEU 7 1HD1 LEU 7 2.304 -4.325 -2.659 57 2HD1 LEU 7 2HD1 LEU 7 3.147 -5.018 -1.274 58 3HD1 LEU 7 3HD1 LEU 7 4.062 -4.232 -2.561 59 1HD2 LEU 7 1HD2 LEU 7 4.052 -3.393 0.547 60 2HD2 LEU 7 2HD2 LEU 7 2.349 -3.851 0.519 61 3HD2 LEU 7 3HD2 LEU 7 2.804 -2.162 0.743 62 H SER 8 H SER 8 6.135 0.333 0.443 63 HA SER 8 HA SER 8 7.332 1.737 -1.838 64 1HB SER 8 2HB SER 8 6.578 2.711 0.701 65 2HB SER 8 1HB SER 8 8.341 2.649 0.703 66 HG SER 8 HG SER 8 7.196 4.606 -0.181 67 HA PRO 9 HA PRO 9 10.468 -1.386 -1.022 68 1HB PRO 9 2HB PRO 9 11.517 -1.325 -3.493 69 2HB PRO 9 1HB PRO 9 9.979 -2.128 -3.156 70 1HG PRO 9 2HG PRO 9 10.487 0.574 -4.341 71 2HG PRO 9 1HG PRO 9 9.302 -0.654 -4.822 72 1HD PRO 9 2HD PRO 9 8.699 1.530 -3.274 73 2HD PRO 9 1HD PRO 9 7.795 0.004 -3.227 74 H TYR 10 H TYR 10 12.622 -1.229 -0.516 75 HA TYR 10 HA TYR 10 14.005 1.275 -1.195 76 1HB TYR 10 2HB TYR 10 13.050 1.057 1.240 77 2HB TYR 10 1HB TYR 10 14.441 0.005 1.485 78 HD1 TYR 10 1HD TYR 10 13.475 3.431 0.419 79 HD2 TYR 10 2HD TYR 10 16.568 0.912 1.903 80 HE1 TYR 10 1HE TYR 10 14.891 5.404 0.802 81 HE2 TYR 10 2HE TYR 10 17.991 2.880 2.291 82 HH TYR 10 HH TYR 10 17.816 5.250 2.600 83 H SER 11 H SER 11 15.900 0.932 -2.130 84 HA SER 11 HA SER 11 17.045 -1.748 -2.078 85 1HB SER 11 2HB SER 11 18.663 -0.428 -3.768 86 2HB SER 11 1HB SER 11 17.115 -1.107 -4.272 87 HG SER 11 HG SER 11 17.545 1.172 -4.825 Start of MODEL 17 1 1H TYR 1 1H TYR 1 -16.967 -3.560 0.651 2 2H TYR 1 2H TYR 1 -15.425 -4.298 0.487 3 3H TYR 1 3H TYR 1 -16.046 -3.313 -0.774 4 HA TYR 1 HA TYR 1 -16.079 -1.460 0.853 5 1HB TYR 1 2HB TYR 1 -14.495 -3.550 2.351 6 2HB TYR 1 1HB TYR 1 -14.383 -1.832 2.717 7 HD1 TYR 1 1HD TYR 1 -16.557 -4.794 2.818 8 HD2 TYR 1 2HD TYR 1 -16.170 -0.683 3.842 9 HE1 TYR 1 1HE TYR 1 -18.516 -4.983 4.294 10 HE2 TYR 1 2HE TYR 1 -18.126 -0.862 5.321 11 HH TYR 1 HH TYR 1 -20.232 -3.523 5.273 12 H THR 2 H THR 2 -14.087 -0.103 1.046 13 HA THR 2 HA THR 2 -12.110 -0.900 -0.990 14 HB THR 2 HB THR 2 -12.885 1.928 -0.275 15 HG1 THR 2 1HG THR 2 -13.770 0.391 -2.485 16 1HG2 THR 2 1HG2 THR 2 -12.041 1.945 -2.856 17 2HG2 THR 2 2HG2 THR 2 -10.971 0.745 -2.132 18 3HG2 THR 2 3HG2 THR 2 -11.051 2.373 -1.460 19 H ILE 3 H ILE 3 -9.982 -0.760 -0.507 20 HA ILE 3 HA ILE 3 -9.200 0.553 1.990 21 HB ILE 3 HB ILE 3 -8.713 -2.329 1.293 22 1HG1 ILE 3 2HG1 ILE 3 -9.405 -1.080 3.939 23 2HG1 ILE 3 1HG1 ILE 3 -10.635 -1.448 2.735 24 1HG2 ILE 3 1HG2 ILE 3 -7.273 -1.586 3.656 25 2HG2 ILE 3 2HG2 ILE 3 -6.698 -0.623 2.301 26 3HG2 ILE 3 3HG2 ILE 3 -6.680 -2.381 2.199 27 1HD1 ILE 3 1HD1 ILE 3 -8.730 -3.492 3.841 28 2HD1 ILE 3 2HD1 ILE 3 -10.167 -3.773 2.857 29 3HD1 ILE 3 3HD1 ILE 3 -10.332 -3.175 4.507 30 H ALA 4 H ALA 4 -7.285 1.537 1.948 31 HA ALA 4 HA ALA 4 -5.896 1.604 -0.628 32 1HB ALA 4 1HB ALA 4 -5.302 3.458 1.644 33 2HB ALA 4 2HB ALA 4 -6.752 3.683 0.664 34 3HB ALA 4 3HB ALA 4 -5.159 3.734 -0.092 35 H ALA 5 H ALA 5 -3.882 0.862 -0.910 36 HA ALA 5 HA ALA 5 -2.282 0.183 1.460 37 1HB ALA 5 1HB ALA 5 -2.648 -1.628 -0.925 38 2HB ALA 5 2HB ALA 5 -3.408 -1.851 0.650 39 3HB ALA 5 3HB ALA 5 -1.654 -1.949 0.495 40 H LEU 6 H LEU 6 -0.292 0.977 1.359 41 HA LEU 6 HA LEU 6 0.719 1.882 -1.247 42 1HB LEU 6 2HB LEU 6 0.503 3.637 0.420 43 2HB LEU 6 1HB LEU 6 1.481 2.720 1.550 44 HG LEU 6 HG LEU 6 3.412 2.934 0.006 45 1HD1 LEU 6 1HD1 LEU 6 1.981 3.238 -2.036 46 2HD1 LEU 6 2HD1 LEU 6 3.342 4.349 -1.894 47 3HD1 LEU 6 3HD1 LEU 6 1.711 4.899 -1.509 48 1HD2 LEU 6 1HD2 LEU 6 3.317 5.630 0.224 49 2HD2 LEU 6 2HD2 LEU 6 3.717 4.540 1.551 50 3HD2 LEU 6 3HD2 LEU 6 2.074 5.162 1.383 51 H LEU 7 H LEU 7 2.604 1.148 -2.069 52 HA LEU 7 HA LEU 7 3.998 -0.931 -0.521 53 1HB LEU 7 2HB LEU 7 3.842 -0.529 -3.522 54 2HB LEU 7 1HB LEU 7 4.705 -1.828 -2.719 55 HG LEU 7 HG LEU 7 1.717 -1.400 -2.735 56 1HD1 LEU 7 1HD1 LEU 7 3.258 -3.734 -3.823 57 2HD1 LEU 7 2HD1 LEU 7 2.885 -2.314 -4.801 58 3HD1 LEU 7 3HD1 LEU 7 1.578 -3.286 -4.121 59 1HD2 LEU 7 1HD2 LEU 7 2.499 -3.949 -1.731 60 2HD2 LEU 7 2HD2 LEU 7 1.556 -2.689 -0.938 61 3HD2 LEU 7 3HD2 LEU 7 3.313 -2.698 -0.795 62 H SER 8 H SER 8 5.979 -0.371 0.245 63 HA SER 8 HA SER 8 7.426 1.770 -1.139 64 1HB SER 8 2HB SER 8 7.027 1.111 1.708 65 2HB SER 8 1HB SER 8 8.678 1.549 1.273 66 HG SER 8 HG SER 8 7.655 3.436 1.740 67 HA PRO 9 HA PRO 9 10.049 -1.736 -2.186 68 1HB PRO 9 2HB PRO 9 11.382 -0.400 -4.144 69 2HB PRO 9 1HB PRO 9 9.792 -1.133 -4.383 70 1HG PRO 9 2HG PRO 9 10.507 1.722 -3.882 71 2HG PRO 9 1HG PRO 9 9.278 1.045 -4.964 72 1HD PRO 9 2HD PRO 9 8.710 2.113 -2.517 73 2HD PRO 9 1HD PRO 9 7.731 0.846 -3.281 74 H TYR 10 H TYR 10 12.052 -2.263 -1.492 75 HA TYR 10 HA TYR 10 13.747 -0.086 -0.455 76 1HB TYR 10 2HB TYR 10 12.616 -2.199 0.954 77 2HB TYR 10 1HB TYR 10 14.280 -2.709 0.697 78 HD1 TYR 10 1HD TYR 10 12.339 0.281 1.822 79 HD2 TYR 10 2HD TYR 10 15.878 -2.045 2.224 80 HE1 TYR 10 1HE TYR 10 13.052 1.703 3.697 81 HE2 TYR 10 2HE TYR 10 16.601 -0.631 4.100 82 HH TYR 10 HH TYR 10 15.568 0.858 5.788 83 H SER 11 H SER 11 16.032 -0.360 -0.609 84 HA SER 11 HA SER 11 16.816 -2.130 -2.826 85 1HB SER 11 2HB SER 11 17.104 0.266 -3.294 86 2HB SER 11 1HB SER 11 18.123 0.428 -1.864 87 HG SER 11 HG SER 11 19.228 0.143 -3.945 Start of MODEL 18 1 1H TYR 1 1H TYR 1 -16.544 -1.271 1.500 2 2H TYR 1 2H TYR 1 -17.432 0.180 1.723 3 3H TYR 1 3H TYR 1 -17.378 -0.995 2.971 4 HA TYR 1 HA TYR 1 -15.926 1.078 3.113 5 1HB TYR 1 2HB TYR 1 -15.125 -1.784 3.620 6 2HB TYR 1 1HB TYR 1 -14.109 -0.442 4.134 7 HD1 TYR 1 1HD TYR 1 -17.352 -2.113 4.626 8 HD2 TYR 1 2HD TYR 1 -14.713 0.921 6.013 9 HE1 TYR 1 1HE TYR 1 -18.687 -1.902 6.680 10 HE2 TYR 1 2HE TYR 1 -16.040 1.141 8.072 11 HH TYR 1 HH TYR 1 -18.663 0.587 8.641 12 H THR 2 H THR 2 -13.672 1.687 2.755 13 HA THR 2 HA THR 2 -12.738 0.835 0.095 14 HB THR 2 HB THR 2 -12.119 3.459 1.454 15 HG1 THR 2 1HG THR 2 -14.114 2.925 -0.488 16 1HG2 THR 2 1HG2 THR 2 -10.783 3.828 -0.261 17 2HG2 THR 2 2HG2 THR 2 -12.162 3.669 -1.350 18 3HG2 THR 2 3HG2 THR 2 -11.188 2.256 -0.949 19 H ILE 3 H ILE 3 -10.693 0.123 -0.159 20 HA ILE 3 HA ILE 3 -8.982 0.086 2.239 21 HB ILE 3 HB ILE 3 -9.379 -1.994 0.107 22 1HG1 ILE 3 2HG1 ILE 3 -9.259 -2.232 3.110 23 2HG1 ILE 3 1HG1 ILE 3 -10.749 -1.915 2.227 24 1HG2 ILE 3 1HG2 ILE 3 -6.990 -1.784 0.251 25 2HG2 ILE 3 2HG2 ILE 3 -7.471 -3.228 1.142 26 3HG2 ILE 3 3HG2 ILE 3 -7.054 -1.754 2.014 27 1HD1 ILE 3 1HD1 ILE 3 -9.062 -4.282 1.548 28 2HD1 ILE 3 2HD1 ILE 3 -10.785 -4.022 1.279 29 3HD1 ILE 3 3HD1 ILE 3 -10.182 -4.328 2.908 30 H ALA 4 H ALA 4 -6.915 0.696 2.086 31 HA ALA 4 HA ALA 4 -5.862 1.396 -0.569 32 1HB ALA 4 1HB ALA 4 -6.784 3.375 0.788 33 2HB ALA 4 2HB ALA 4 -5.170 3.522 0.091 34 3HB ALA 4 3HB ALA 4 -5.360 3.155 1.805 35 H ALA 5 H ALA 5 -3.920 0.553 -0.935 36 HA ALA 5 HA ALA 5 -2.237 -0.152 1.380 37 1HB ALA 5 1HB ALA 5 -1.968 -1.763 -1.083 38 2HB ALA 5 2HB ALA 5 -3.432 -2.005 -0.131 39 3HB ALA 5 3HB ALA 5 -1.850 -2.246 0.608 40 H LEU 6 H LEU 6 -0.290 0.751 1.381 41 HA LEU 6 HA LEU 6 0.681 1.994 -1.093 42 1HB LEU 6 2HB LEU 6 0.415 3.437 0.893 43 2HB LEU 6 1HB LEU 6 1.560 2.434 1.762 44 HG LEU 6 HG LEU 6 3.320 3.067 0.149 45 1HD1 LEU 6 1HD1 LEU 6 2.841 4.012 -1.797 46 2HD1 LEU 6 2HD1 LEU 6 2.078 5.376 -0.982 47 3HD1 LEU 6 3HD1 LEU 6 1.126 3.948 -1.389 48 1HD2 LEU 6 1HD2 LEU 6 3.740 4.558 1.743 49 2HD2 LEU 6 2HD2 LEU 6 2.022 4.788 2.068 50 3HD2 LEU 6 3HD2 LEU 6 2.815 5.730 0.804 51 H LEU 7 H LEU 7 2.541 1.376 -2.052 52 HA LEU 7 HA LEU 7 4.058 -0.794 -0.755 53 1HB LEU 7 2HB LEU 7 3.643 -0.243 -3.706 54 2HB LEU 7 1HB LEU 7 4.618 -1.544 -3.053 55 HG LEU 7 HG LEU 7 1.627 -1.237 -2.813 56 1HD1 LEU 7 1HD1 LEU 7 2.750 -3.689 -3.927 57 2HD1 LEU 7 2HD1 LEU 7 3.105 -2.250 -4.881 58 3HD1 LEU 7 3HD1 LEU 7 1.434 -2.673 -4.512 59 1HD2 LEU 7 1HD2 LEU 7 1.799 -2.410 -0.928 60 2HD2 LEU 7 2HD2 LEU 7 3.519 -2.709 -1.178 61 3HD2 LEU 7 3HD2 LEU 7 2.321 -3.764 -1.929 62 H SER 8 H SER 8 6.077 -0.234 -0.117 63 HA SER 8 HA SER 8 7.520 1.771 -1.691 64 1HB SER 8 2HB SER 8 8.464 2.679 0.399 65 2HB SER 8 1HB SER 8 6.708 2.835 0.365 66 HG SER 8 HG SER 8 8.309 1.075 1.868 67 HA PRO 9 HA PRO 9 10.164 -1.869 -1.910 68 1HB PRO 9 2HB PRO 9 11.742 0.127 -3.446 69 2HB PRO 9 1HB PRO 9 11.250 -1.508 -3.899 70 1HG PRO 9 2HG PRO 9 10.048 0.628 -4.957 71 2HG PRO 9 1HG PRO 9 9.131 -0.834 -4.551 72 1HD PRO 9 2HD PRO 9 9.279 1.775 -3.105 73 2HD PRO 9 1HD PRO 9 7.899 0.679 -3.322 74 H TYR 10 H TYR 10 11.977 -2.456 -0.811 75 HA TYR 10 HA TYR 10 13.522 -0.321 0.506 76 1HB TYR 10 2HB TYR 10 11.875 -2.250 1.755 77 2HB TYR 10 1HB TYR 10 13.538 -2.732 2.076 78 HD1 TYR 10 1HD TYR 10 10.920 -0.335 2.799 79 HD2 TYR 10 2HD TYR 10 15.068 -1.164 3.256 80 HE1 TYR 10 1HE TYR 10 11.055 1.353 4.583 81 HE2 TYR 10 2HE TYR 10 15.215 0.520 5.042 82 HH TYR 10 HH TYR 10 12.492 1.863 6.531 83 H SER 11 H SER 11 15.721 -0.638 0.705 84 HA SER 11 HA SER 11 16.811 -2.797 -0.952 85 1HB SER 11 2HB SER 11 18.070 -0.219 0.017 86 2HB SER 11 1HB SER 11 18.884 -1.422 -0.983 87 HG SER 11 HG SER 11 16.561 0.060 -1.666 Start of MODEL 19 1 1H TYR 1 1H TYR 1 -15.683 -4.149 0.312 2 2H TYR 1 2H TYR 1 -16.098 -3.105 -0.985 3 3H TYR 1 3H TYR 1 -17.126 -3.229 0.384 4 HA TYR 1 HA TYR 1 -16.060 -1.291 0.768 5 1HB TYR 1 2HB TYR 1 -14.442 -3.510 2.041 6 2HB TYR 1 1HB TYR 1 -14.387 -1.827 2.556 7 HD1 TYR 1 1HD TYR 1 -16.781 -4.635 2.045 8 HD2 TYR 1 2HD TYR 1 -15.856 -1.088 4.203 9 HE1 TYR 1 1HE TYR 1 -18.703 -5.041 3.523 10 HE2 TYR 1 2HE TYR 1 -17.775 -1.484 5.689 11 HH TYR 1 HH TYR 1 -19.378 -2.941 6.293 12 H THR 2 H THR 2 -14.062 -0.010 0.858 13 HA THR 2 HA THR 2 -12.178 -0.807 -1.263 14 HB THR 2 HB THR 2 -12.752 2.043 -0.489 15 HG1 THR 2 1HG THR 2 -14.544 2.013 -1.569 16 1HG2 THR 2 1HG2 THR 2 -10.805 1.703 -1.894 17 2HG2 THR 2 2HG2 THR 2 -12.091 2.520 -2.785 18 3HG2 THR 2 3HG2 THR 2 -11.785 0.805 -3.053 19 H ILE 3 H ILE 3 -10.059 -0.845 -0.791 20 HA ILE 3 HA ILE 3 -9.166 0.426 1.705 21 HB ILE 3 HB ILE 3 -8.689 -2.412 0.842 22 1HG1 ILE 3 2HG1 ILE 3 -9.328 -1.263 3.555 23 2HG1 ILE 3 1HG1 ILE 3 -10.571 -1.704 2.389 24 1HG2 ILE 3 1HG2 ILE 3 -6.983 -0.745 2.681 25 2HG2 ILE 3 2HG2 ILE 3 -6.475 -1.665 1.266 26 3HG2 ILE 3 3HG2 ILE 3 -7.004 -2.508 2.723 27 1HD1 ILE 3 1HD1 ILE 3 -9.195 -3.349 4.252 28 2HD1 ILE 3 2HD1 ILE 3 -8.831 -3.909 2.620 29 3HD1 ILE 3 3HD1 ILE 3 -10.507 -3.774 3.152 30 H ALA 4 H ALA 4 -7.238 1.396 1.665 31 HA ALA 4 HA ALA 4 -5.767 1.333 -0.887 32 1HB ALA 4 1HB ALA 4 -4.968 3.629 0.440 33 2HB ALA 4 2HB ALA 4 -6.698 3.522 0.767 34 3HB ALA 4 3HB ALA 4 -6.113 3.532 -0.898 35 H ALA 5 H ALA 5 -3.817 0.456 -0.836 36 HA ALA 5 HA ALA 5 -2.355 0.411 1.725 37 1HB ALA 5 1HB ALA 5 -2.530 -1.811 1.573 38 2HB ALA 5 2HB ALA 5 -1.322 -1.692 0.293 39 3HB ALA 5 3HB ALA 5 -3.037 -1.745 -0.116 40 H LEU 6 H LEU 6 -0.243 1.017 1.717 41 HA LEU 6 HA LEU 6 0.849 1.931 -0.861 42 1HB LEU 6 2HB LEU 6 0.406 3.709 0.794 43 2HB LEU 6 1HB LEU 6 1.493 2.917 1.919 44 HG LEU 6 HG LEU 6 3.378 3.316 0.421 45 1HD1 LEU 6 1HD1 LEU 6 2.192 3.195 -1.703 46 2HD1 LEU 6 2HD1 LEU 6 3.118 4.690 -1.579 47 3HD1 LEU 6 3HD1 LEU 6 1.370 4.712 -1.342 48 1HD2 LEU 6 1HD2 LEU 6 2.496 6.036 0.364 49 2HD2 LEU 6 2HD2 LEU 6 3.648 5.263 1.453 50 3HD2 LEU 6 3HD2 LEU 6 1.930 5.270 1.848 51 H LEU 7 H LEU 7 2.507 0.819 -1.632 52 HA LEU 7 HA LEU 7 4.159 -0.736 0.248 53 1HB LEU 7 2HB LEU 7 3.592 -1.241 -2.687 54 2HB LEU 7 1HB LEU 7 4.627 -2.232 -1.675 55 HG LEU 7 HG LEU 7 1.637 -1.905 -1.467 56 1HD1 LEU 7 1HD1 LEU 7 3.219 -4.433 -1.781 57 2HD1 LEU 7 2HD1 LEU 7 2.707 -3.473 -3.169 58 3HD1 LEU 7 3HD1 LEU 7 1.503 -4.159 -2.077 59 1HD2 LEU 7 1HD2 LEU 7 3.627 -2.950 0.489 60 2HD2 LEU 7 2HD2 LEU 7 2.057 -3.742 0.356 61 3HD2 LEU 7 3HD2 LEU 7 2.148 -2.030 0.766 62 H SER 8 H SER 8 6.188 0.045 0.541 63 HA SER 8 HA SER 8 7.321 1.754 -1.547 64 1HB SER 8 2HB SER 8 8.964 2.195 0.521 65 2HB SER 8 1HB SER 8 7.449 3.077 0.318 66 HG SER 8 HG SER 8 7.687 0.683 1.819 67 HA PRO 9 HA PRO 9 9.893 -1.884 -2.186 68 1HB PRO 9 2HB PRO 9 10.732 -1.117 -4.643 69 2HB PRO 9 1HB PRO 9 9.146 -1.843 -4.360 70 1HG PRO 9 2HG PRO 9 9.876 1.032 -4.728 71 2HG PRO 9 1HG PRO 9 8.483 0.140 -5.362 72 1HD PRO 9 2HD PRO 9 8.366 1.778 -3.178 73 2HD PRO 9 1HD PRO 9 7.286 0.391 -3.422 74 H TYR 10 H TYR 10 12.026 -2.209 -1.829 75 HA TYR 10 HA TYR 10 13.715 0.180 -1.536 76 1HB TYR 10 2HB TYR 10 13.266 -1.355 0.454 77 2HB TYR 10 1HB TYR 10 14.266 -2.546 -0.371 78 HD1 TYR 10 1HD TYR 10 14.390 1.026 0.720 79 HD2 TYR 10 2HD TYR 10 16.522 -2.605 0.115 80 HE1 TYR 10 1HE TYR 10 16.401 2.051 1.696 81 HE2 TYR 10 2HE TYR 10 18.540 -1.591 1.088 82 HH TYR 10 HH TYR 10 18.588 1.805 2.110 83 H SER 11 H SER 11 15.638 0.357 -2.588 84 HA SER 11 HA SER 11 17.214 0.014 -4.192 85 1HB SER 11 2HB SER 11 18.086 -1.717 -2.801 86 2HB SER 11 1HB SER 11 16.793 -2.827 -3.255 87 HG SER 11 HG SER 11 19.154 -2.311 -4.502 Start of MODEL 20 1 1H TYR 1 1H TYR 1 -17.309 -1.652 0.590 2 2H TYR 1 2H TYR 1 -15.952 -2.547 1.142 3 3H TYR 1 3H TYR 1 -16.208 -2.323 -0.540 4 HA TYR 1 HA TYR 1 -16.048 0.115 -0.077 5 1HB TYR 1 2HB TYR 1 -15.017 -1.099 2.490 6 2HB TYR 1 1HB TYR 1 -14.585 0.528 1.974 7 HD1 TYR 1 1HD TYR 1 -16.737 -1.248 4.016 8 HD2 TYR 1 2HD TYR 1 -16.763 1.953 1.213 9 HE1 TYR 1 1HE TYR 1 -18.806 -0.384 5.030 10 HE2 TYR 1 2HE TYR 1 -18.828 2.828 2.221 11 HH TYR 1 HH TYR 1 -20.768 1.864 3.567 12 H THR 2 H THR 2 -13.901 1.116 -0.388 13 HA THR 2 HA THR 2 -12.041 -0.841 -1.547 14 HB THR 2 HB THR 2 -12.206 2.138 -2.043 15 HG1 THR 2 1HG THR 2 -14.030 1.135 -2.870 16 1HG2 THR 2 1HG2 THR 2 -10.859 1.708 -4.005 17 2HG2 THR 2 2HG2 THR 2 -10.757 -0.001 -3.583 18 3HG2 THR 2 3HG2 THR 2 -10.005 1.210 -2.545 19 H ILE 3 H ILE 3 -10.138 -1.204 -0.627 20 HA ILE 3 HA ILE 3 -9.261 0.608 1.508 21 HB ILE 3 HB ILE 3 -8.708 -2.305 0.997 22 1HG1 ILE 3 2HG1 ILE 3 -9.544 -1.073 3.584 23 2HG1 ILE 3 1HG1 ILE 3 -10.731 -1.244 2.295 24 1HG2 ILE 3 1HG2 ILE 3 -7.306 -0.500 2.970 25 2HG2 ILE 3 2HG2 ILE 3 -6.565 -1.328 1.597 26 3HG2 ILE 3 3HG2 ILE 3 -7.202 -2.261 2.954 27 1HD1 ILE 3 1HD1 ILE 3 -10.041 -3.144 4.175 28 2HD1 ILE 3 2HD1 ILE 3 -9.240 -3.685 2.699 29 3HD1 ILE 3 3HD1 ILE 3 -10.982 -3.404 2.706 30 H ALA 4 H ALA 4 -7.331 1.560 1.505 31 HA ALA 4 HA ALA 4 -5.760 1.353 -0.968 32 1HB ALA 4 1HB ALA 4 -6.147 3.572 -0.874 33 2HB ALA 4 2HB ALA 4 -4.781 3.560 0.242 34 3HB ALA 4 3HB ALA 4 -6.429 3.554 0.866 35 H ALA 5 H ALA 5 -3.754 0.538 -0.946 36 HA ALA 5 HA ALA 5 -2.468 0.119 1.675 37 1HB ALA 5 1HB ALA 5 -1.635 -1.605 -0.565 38 2HB ALA 5 2HB ALA 5 -3.281 -1.847 0.022 39 3HB ALA 5 3HB ALA 5 -1.919 -1.998 1.131 40 H LEU 6 H LEU 6 -0.379 0.720 1.946 41 HA LEU 6 HA LEU 6 0.891 2.113 -0.311 42 1HB LEU 6 2HB LEU 6 0.449 3.591 1.526 43 2HB LEU 6 1HB LEU 6 1.180 2.478 2.666 44 HG LEU 6 HG LEU 6 3.380 2.867 1.624 45 1HD1 LEU 6 1HD1 LEU 6 2.653 5.270 0.183 46 2HD1 LEU 6 2HD1 LEU 6 1.901 3.834 -0.514 47 3HD1 LEU 6 3HD1 LEU 6 3.652 3.908 -0.322 48 1HD2 LEU 6 1HD2 LEU 6 2.113 5.500 2.335 49 2HD2 LEU 6 2HD2 LEU 6 3.773 4.975 2.611 50 3HD2 LEU 6 3HD2 LEU 6 2.456 4.252 3.533 51 H LEU 7 H LEU 7 2.550 1.128 -1.231 52 HA LEU 7 HA LEU 7 4.311 -0.545 0.429 53 1HB LEU 7 2HB LEU 7 3.285 -1.226 -2.342 54 2HB LEU 7 1HB LEU 7 4.462 -2.163 -1.441 55 HG LEU 7 HG LEU 7 1.564 -1.745 -0.709 56 1HD1 LEU 7 1HD1 LEU 7 2.294 -4.468 -0.915 57 2HD1 LEU 7 2HD1 LEU 7 2.880 -3.651 -2.363 58 3HD1 LEU 7 3HD1 LEU 7 1.175 -3.553 -1.925 59 1HD2 LEU 7 1HD2 LEU 7 2.726 -3.771 0.856 60 2HD2 LEU 7 2HD2 LEU 7 2.123 -2.202 1.390 61 3HD2 LEU 7 3HD2 LEU 7 3.819 -2.388 0.942 62 H SER 8 H SER 8 6.361 0.231 0.338 63 HA SER 8 HA SER 8 7.230 1.545 -2.140 64 1HB SER 8 2HB SER 8 7.166 2.548 0.570 65 2HB SER 8 1HB SER 8 8.819 2.531 -0.043 66 HG SER 8 HG SER 8 6.562 3.759 -1.248 67 HA PRO 9 HA PRO 9 10.124 -1.882 -1.746 68 1HB PRO 9 2HB PRO 9 10.780 -1.917 -4.361 69 2HB PRO 9 1HB PRO 9 9.265 -2.602 -3.760 70 1HG PRO 9 2HG PRO 9 9.766 0.032 -5.086 71 2HG PRO 9 1HG PRO 9 8.419 -1.099 -5.312 72 1HD PRO 9 2HD PRO 9 8.279 1.160 -3.762 73 2HD PRO 9 1HD PRO 9 7.275 -0.280 -3.506 74 H TYR 10 H TYR 10 12.267 -1.841 -1.363 75 HA TYR 10 HA TYR 10 13.753 0.570 -2.171 76 1HB TYR 10 2HB TYR 10 13.357 -0.037 0.333 77 2HB TYR 10 1HB TYR 10 14.614 -1.240 0.064 78 HD1 TYR 10 1HD TYR 10 13.965 2.099 0.998 79 HD2 TYR 10 2HD TYR 10 16.820 -0.330 -1.010 80 HE1 TYR 10 1HE TYR 10 15.681 3.815 1.378 81 HE2 TYR 10 2HE TYR 10 18.549 1.377 -0.634 82 HH TYR 10 HH TYR 10 17.860 4.319 1.223 83 H SER 11 H SER 11 15.714 0.377 -3.183 84 HA SER 11 HA SER 11 16.283 -2.202 -4.368 85 1HB SER 11 2HB SER 11 16.414 -0.376 -5.883 86 2HB SER 11 1HB SER 11 17.425 0.561 -4.781 87 HG SER 11 HG SER 11 18.858 -0.267 -6.173
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