NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
625905 | 5xm4 | 36083 | 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 H GLY 1 2.893 -1.751 0.428 2 HA2 GLY 1 2HA GLY 1 2.245 -2.895 2.941 3 HA3 GLY 1 1HA GLY 1 2.237 -1.184 2.542 4 HA PRO 2 HA PRO 2 -2.135 -2.821 3.418 5 HB2 PRO 2 2HB PRO 2 -2.133 -0.262 4.930 6 HB3 PRO 2 1HB PRO 2 -2.788 -1.838 5.386 7 HG2 PRO 2 2HG PRO 2 -0.535 -0.929 6.481 8 HG3 PRO 2 1HG PRO 2 -0.726 -2.645 6.072 9 HD2 PRO 2 2HD PRO 2 0.803 -0.511 4.643 10 HD3 PRO 2 1HD PRO 2 1.211 -2.222 4.885 11 HA PRO 3 HA PRO 3 -4.028 -0.458 0.213 12 HB2 PRO 3 2HB PRO 3 -6.342 -0.154 2.071 13 HB3 PRO 3 1HB PRO 3 -6.308 -0.729 0.400 14 HG2 PRO 3 2HG PRO 3 -6.577 -2.445 2.415 15 HG3 PRO 3 1HG PRO 3 -5.581 -2.849 1.004 16 HD2 PRO 3 2HD PRO 3 -4.742 -2.030 3.747 17 HD3 PRO 3 1HD PRO 3 -3.974 -3.167 2.622 18 H GLY 4 H GLY 4 -2.627 1.370 0.428 19 HA2 GLY 4 2HA GLY 4 -3.851 3.615 1.914 20 HA3 GLY 4 1HA GLY 4 -2.114 3.416 1.737 21 H ASP 5 H ASP 5 -1.430 5.048 0.515 22 HA ASP 5 HA ASP 5 -2.991 5.780 -1.864 23 HB2 ASP 5 2HB ASP 5 -2.192 7.447 0.039 24 HB3 ASP 5 1HB ASP 5 -0.706 7.443 -0.905 25 H ARG 6 H ARG 6 -0.067 4.299 -0.856 26 HA ARG 6 HA ARG 6 1.276 4.751 -3.396 27 HB2 ARG 6 2HB ARG 6 2.183 4.343 -0.815 28 HB3 ARG 6 1HB ARG 6 2.493 2.798 -1.594 29 HG2 ARG 6 2HG ARG 6 3.401 4.585 -3.457 30 HG3 ARG 6 1HG ARG 6 3.817 5.373 -1.935 31 HD2 ARG 6 2HD ARG 6 5.641 4.077 -1.972 32 HD3 ARG 6 1HD ARG 6 4.558 2.782 -1.466 33 HE ARG 6 HE ARG 6 4.912 1.801 -3.487 34 HH11 ARG 6 1HH1 ARG 6 5.576 5.211 -3.811 35 HH12 ARG 6 2HH1 ARG 6 6.103 5.080 -5.456 36 HH21 ARG 6 1HH2 ARG 6 5.604 1.625 -5.649 37 HH22 ARG 6 2HH2 ARG 6 6.117 3.043 -6.500 38 H ILE 7 H ILE 7 2.532 2.473 -3.990 39 HA ILE 7 HA ILE 7 0.383 0.494 -4.342 40 HB ILE 7 HB ILE 7 1.328 1.982 -6.378 41 HG12 ILE 7 2HG1 ILE 7 0.551 0.094 -7.868 42 HG13 ILE 7 1HG1 ILE 7 0.408 -0.893 -6.417 43 HG21 ILE 7 1HG2 ILE 7 3.614 1.045 -6.097 44 HG22 ILE 7 2HG2 ILE 7 2.927 0.781 -7.699 45 HG23 ILE 7 3HG2 ILE 7 2.970 -0.539 -6.530 46 HD11 ILE 7 1HD1 ILE 7 -1.077 1.083 -5.580 47 HD12 ILE 7 2HD1 ILE 7 -1.735 -0.139 -6.667 48 HD13 ILE 7 3HD1 ILE 7 -1.229 1.425 -7.303 49 H GLU 8 H GLU 8 0.839 -1.534 -3.807 50 HA GLU 8 HA GLU 8 3.527 -2.161 -2.870 51 HB2 GLU 8 2HB GLU 8 1.089 -2.689 -1.793 52 HB3 GLU 8 1HB GLU 8 1.392 -4.193 -2.653 53 HG2 GLU 8 2HG GLU 8 2.941 -4.856 -1.192 54 HG3 GLU 8 1HG GLU 8 3.678 -3.257 -1.102 55 H PHE 9 H PHE 9 3.145 -5.042 -3.244 56 HA PHE 9 HA PHE 9 4.241 -5.243 -5.882 57 HB2 PHE 9 2HB PHE 9 3.633 -7.241 -3.715 58 HB3 PHE 9 1HB PHE 9 4.180 -7.752 -5.308 59 HD1 PHE 9 1HD PHE 9 6.389 -8.337 -5.334 60 HD2 PHE 9 2HD PHE 9 5.164 -5.058 -2.914 61 HE1 PHE 9 1HE PHE 9 8.724 -7.976 -4.649 62 HE2 PHE 9 2HE PHE 9 7.497 -4.690 -2.226 63 HZ PHE 9 HZ PHE 9 9.281 -6.149 -3.094 64 H GLY 10 H GLY 10 1.897 -4.211 -6.439 65 HA2 GLY 10 2HA GLY 10 0.455 -4.850 -8.260 66 HA3 GLY 10 1HA GLY 10 0.387 -6.468 -7.579 67 H VAL 11 H VAL 11 0.127 -3.924 -5.299 68 HA VAL 11 HA VAL 11 -2.775 -3.787 -5.450 69 HB VAL 11 HB VAL 11 -1.761 -4.508 -2.753 70 HG11 VAL 11 1HG1 VAL 11 -4.281 -4.603 -4.290 71 HG12 VAL 11 2HG1 VAL 11 -3.993 -4.185 -2.600 72 HG13 VAL 11 3HG1 VAL 11 -4.037 -5.877 -3.095 73 HG21 VAL 11 1HG2 VAL 11 -2.096 -6.940 -3.268 74 HG22 VAL 11 2HG2 VAL 11 -0.653 -6.225 -3.987 75 HG23 VAL 11 3HG2 VAL 11 -2.082 -6.514 -4.979 76 H LEU 12 H LEU 12 -3.580 -2.431 -3.473 77 HA LEU 12 HA LEU 12 -2.230 0.070 -3.603 78 HB2 LEU 12 2HB LEU 12 -4.413 -0.776 -1.697 79 HB3 LEU 12 1HB LEU 12 -3.949 0.870 -2.086 80 HG LEU 12 HG LEU 12 -5.231 -1.112 -3.967 81 HD11 LEU 12 1HD1 LEU 12 -7.213 -0.106 -3.582 82 HD12 LEU 12 2HD1 LEU 12 -6.484 1.480 -3.329 83 HD13 LEU 12 3HD1 LEU 12 -6.468 0.285 -2.033 84 HD21 LEU 12 1HD2 LEU 12 -4.035 0.107 -5.467 85 HD22 LEU 12 2HD2 LEU 12 -3.909 1.506 -4.399 86 HD23 LEU 12 3HD2 LEU 12 -5.409 1.196 -5.274 87 H ALA 13 H ALA 13 -1.008 1.138 -2.058 88 HA ALA 13 HA ALA 13 -0.310 -0.388 0.357 89 HB1 ALA 13 1HB ALA 13 2.044 0.204 0.072 90 HB2 ALA 13 2HB ALA 13 1.661 0.992 -1.459 91 HB3 ALA 13 3HB ALA 13 1.451 -0.751 -1.287 92 H GLN 14 H GLN 14 0.815 0.946 2.003 93 HA GLN 14 HA GLN 14 -0.065 3.756 1.914 94 HB2 GLN 14 2HB GLN 14 -1.546 2.497 3.386 95 HB3 GLN 14 1HB GLN 14 -0.165 1.861 4.268 96 HG2 GLN 14 2HG GLN 14 -0.023 3.666 5.553 97 HG3 GLN 14 1HG GLN 14 -0.176 4.760 4.178 98 HE21 GLN 14 1HE2 GLN 14 -1.400 4.587 6.955 99 HE22 GLN 14 2HE2 GLN 14 -3.093 4.796 6.674 100 H LEU 15 H LEU 15 1.293 5.277 2.835 101 HA LEU 15 HA LEU 15 3.976 4.294 3.556 102 HB2 LEU 15 2HB LEU 15 3.344 7.051 2.531 103 HB3 LEU 15 1HB LEU 15 4.912 6.274 2.645 104 HG LEU 15 HG LEU 15 2.928 4.943 0.900 105 HD11 LEU 15 1HD1 LEU 15 3.016 7.628 0.642 106 HD12 LEU 15 2HD1 LEU 15 2.736 6.514 -0.697 107 HD13 LEU 15 3HD1 LEU 15 4.353 7.157 -0.409 108 HD21 LEU 15 1HD2 LEU 15 5.317 5.301 -0.435 109 HD22 LEU 15 2HD2 LEU 15 4.839 3.873 0.482 110 HD23 LEU 15 3HD2 LEU 15 5.806 5.131 1.250 111 HA PRO 16 HA PRO 16 3.423 6.220 7.486 112 HB2 PRO 16 2HB PRO 16 5.937 6.211 8.373 113 HB3 PRO 16 1HB PRO 16 5.073 4.698 8.073 114 HG2 PRO 16 2HG PRO 16 7.107 6.087 6.373 115 HG3 PRO 16 1HG PRO 16 6.948 4.360 6.743 116 HD2 PRO 16 2HD PRO 16 6.038 5.552 4.428 117 HD3 PRO 16 1HD PRO 16 5.404 4.034 5.092 118 H GLY 17 H GLY 17 3.141 8.185 5.646 119 HA2 GLY 17 2HA GLY 17 3.396 10.553 6.641 120 HA3 GLY 17 1HA GLY 17 5.104 10.263 6.346 Start of MODEL 2 1 H1 GLY 1 H GLY 1 2.099 -2.030 1.107 2 HA2 GLY 1 2HA GLY 1 1.466 -4.348 2.756 3 HA3 GLY 1 1HA GLY 1 1.863 -2.749 3.366 4 HA PRO 2 HA PRO 2 -2.726 -3.016 3.694 5 HB2 PRO 2 2HB PRO 2 -2.050 -0.492 5.138 6 HB3 PRO 2 1HB PRO 2 -3.169 -1.782 5.592 7 HG2 PRO 2 2HG PRO 2 -0.793 -1.584 6.766 8 HG3 PRO 2 1HG PRO 2 -1.469 -3.169 6.349 9 HD2 PRO 2 2HD PRO 2 0.704 -1.624 5.016 10 HD3 PRO 2 1HD PRO 2 0.524 -3.378 5.218 11 HA PRO 3 HA PRO 3 -3.581 -0.443 0.163 12 HB2 PRO 3 2HB PRO 3 -6.251 -0.208 1.469 13 HB3 PRO 3 1HB PRO 3 -5.846 -0.657 -0.191 14 HG2 PRO 3 2HG PRO 3 -6.594 -2.508 1.568 15 HG3 PRO 3 1HG PRO 3 -5.312 -2.839 0.388 16 HD2 PRO 3 2HD PRO 3 -5.101 -2.256 3.306 17 HD3 PRO 3 1HD PRO 3 -4.118 -3.334 2.295 18 H GLY 4 H GLY 4 -2.713 1.541 0.174 19 HA2 GLY 4 2HA GLY 4 -3.946 3.562 1.936 20 HA3 GLY 4 1HA GLY 4 -2.202 3.461 1.761 21 H ASP 5 H ASP 5 -1.450 5.037 0.529 22 HA ASP 5 HA ASP 5 -3.104 5.979 -1.716 23 HB2 ASP 5 2HB ASP 5 -1.017 7.357 -0.035 24 HB3 ASP 5 1HB ASP 5 -1.550 8.014 -1.579 25 H ARG 6 H ARG 6 -0.216 4.340 -0.929 26 HA ARG 6 HA ARG 6 0.962 4.886 -3.556 27 HB2 ARG 6 2HB ARG 6 2.023 4.201 -0.928 28 HB3 ARG 6 1HB ARG 6 2.689 3.186 -2.200 29 HG2 ARG 6 2HG ARG 6 2.612 6.050 -2.828 30 HG3 ARG 6 1HG ARG 6 3.667 5.606 -1.485 31 HD2 ARG 6 2HD ARG 6 5.113 5.357 -3.242 32 HD3 ARG 6 1HD ARG 6 4.448 3.727 -3.146 33 HE ARG 6 HE ARG 6 2.841 5.164 -4.895 34 HH11 ARG 6 1HH1 ARG 6 6.156 4.087 -4.719 35 HH12 ARG 6 2HH1 ARG 6 6.341 3.973 -6.437 36 HH21 ARG 6 1HH2 ARG 6 3.082 5.015 -7.154 37 HH22 ARG 6 2HH2 ARG 6 4.597 4.501 -7.819 38 H ILE 7 H ILE 7 2.314 2.662 -4.161 39 HA ILE 7 HA ILE 7 0.251 0.564 -4.287 40 HB ILE 7 HB ILE 7 1.003 1.963 -6.437 41 HG12 ILE 7 2HG1 ILE 7 0.716 -0.914 -7.037 42 HG13 ILE 7 1HG1 ILE 7 -0.509 -0.247 -5.962 43 HG21 ILE 7 1HG2 ILE 7 2.860 -0.407 -6.535 44 HG22 ILE 7 2HG2 ILE 7 3.379 1.237 -6.164 45 HG23 ILE 7 3HG2 ILE 7 2.678 0.869 -7.739 46 HD11 ILE 7 1HD1 ILE 7 -0.859 -0.260 -8.544 47 HD12 ILE 7 2HD1 ILE 7 0.138 1.194 -8.483 48 HD13 ILE 7 3HD1 ILE 7 -1.374 1.122 -7.578 49 H GLU 8 H GLU 8 0.814 -1.428 -3.698 50 HA GLU 8 HA GLU 8 3.545 -1.881 -2.797 51 HB2 GLU 8 2HB GLU 8 1.123 -2.546 -1.709 52 HB3 GLU 8 1HB GLU 8 1.581 -4.053 -2.490 53 HG2 GLU 8 2HG GLU 8 3.526 -4.261 -1.202 54 HG3 GLU 8 1HG GLU 8 3.459 -2.579 -0.679 55 H PHE 9 H PHE 9 3.323 -4.785 -3.096 56 HA PHE 9 HA PHE 9 4.452 -5.007 -5.706 57 HB2 PHE 9 2HB PHE 9 5.294 -6.341 -3.829 58 HB3 PHE 9 1HB PHE 9 3.736 -7.150 -3.694 59 HD1 PHE 9 1HD PHE 9 6.364 -6.478 -6.256 60 HD2 PHE 9 2HD PHE 9 3.521 -9.214 -4.663 61 HE1 PHE 9 1HE PHE 9 7.123 -8.191 -7.853 62 HE2 PHE 9 2HE PHE 9 4.274 -10.931 -6.256 63 HZ PHE 9 HZ PHE 9 6.078 -10.421 -7.853 64 H GLY 10 H GLY 10 2.082 -4.063 -6.329 65 HA2 GLY 10 2HA GLY 10 0.710 -4.776 -8.172 66 HA3 GLY 10 1HA GLY 10 0.693 -6.388 -7.481 67 H VAL 11 H VAL 11 0.254 -3.850 -5.219 68 HA VAL 11 HA VAL 11 -2.644 -3.841 -5.469 69 HB VAL 11 HB VAL 11 -1.695 -4.502 -2.734 70 HG11 VAL 11 1HG1 VAL 11 -4.148 -4.724 -4.363 71 HG12 VAL 11 2HG1 VAL 11 -3.943 -4.286 -2.667 72 HG13 VAL 11 3HG1 VAL 11 -3.889 -5.981 -3.152 73 HG21 VAL 11 1HG2 VAL 11 -1.829 -6.932 -3.199 74 HG22 VAL 11 2HG2 VAL 11 -0.462 -6.152 -3.995 75 HG23 VAL 11 3HG2 VAL 11 -1.901 -6.569 -4.924 76 H LEU 12 H LEU 12 -3.579 -2.518 -3.532 77 HA LEU 12 HA LEU 12 -2.329 0.041 -3.613 78 HB2 LEU 12 2HB LEU 12 -4.435 -0.632 -1.602 79 HB3 LEU 12 1HB LEU 12 -4.204 0.847 -2.514 80 HG LEU 12 HG LEU 12 -4.780 -0.971 -4.494 81 HD11 LEU 12 1HD1 LEU 12 -7.045 -1.834 -3.360 82 HD12 LEU 12 2HD1 LEU 12 -5.981 -1.880 -1.954 83 HD13 LEU 12 3HD1 LEU 12 -5.562 -2.789 -3.406 84 HD21 LEU 12 1HD2 LEU 12 -5.687 1.405 -3.803 85 HD22 LEU 12 2HD2 LEU 12 -7.026 0.454 -3.161 86 HD23 LEU 12 3HD2 LEU 12 -6.610 0.348 -4.872 87 H ALA 13 H ALA 13 -1.203 1.146 -2.022 88 HA ALA 13 HA ALA 13 -0.720 -0.198 0.523 89 HB1 ALA 13 1HB ALA 13 1.815 0.502 0.025 90 HB2 ALA 13 2HB ALA 13 1.286 0.137 -1.617 91 HB3 ALA 13 3HB ALA 13 1.160 -1.090 -0.357 92 H GLN 14 H GLN 14 0.931 1.249 1.822 93 HA GLN 14 HA GLN 14 0.168 4.070 1.451 94 HB2 GLN 14 2HB GLN 14 -0.031 4.324 3.855 95 HB3 GLN 14 1HB GLN 14 -1.094 3.034 3.311 96 HG2 GLN 14 2HG GLN 14 -0.170 1.649 4.757 97 HG3 GLN 14 1HG GLN 14 1.396 1.866 3.976 98 HE21 GLN 14 1HE2 GLN 14 -0.685 2.891 6.570 99 HE22 GLN 14 2HE2 GLN 14 0.531 3.699 7.495 100 H LEU 15 H LEU 15 1.635 5.468 2.997 101 HA LEU 15 HA LEU 15 4.404 4.631 2.465 102 HB2 LEU 15 2HB LEU 15 4.765 7.198 2.907 103 HB3 LEU 15 1HB LEU 15 4.231 6.614 1.342 104 HG LEU 15 HG LEU 15 1.889 7.152 1.983 105 HD11 LEU 15 1HD1 LEU 15 1.883 8.897 3.962 106 HD12 LEU 15 2HD1 LEU 15 3.256 7.932 4.503 107 HD13 LEU 15 3HD1 LEU 15 1.685 7.169 4.255 108 HD21 LEU 15 1HD2 LEU 15 3.620 8.734 0.841 109 HD22 LEU 15 2HD2 LEU 15 3.503 9.635 2.351 110 HD23 LEU 15 3HD2 LEU 15 2.062 9.365 1.371 111 HA PRO 16 HA PRO 16 4.954 4.476 6.864 112 HB2 PRO 16 2HB PRO 16 7.550 3.877 6.927 113 HB3 PRO 16 1HB PRO 16 6.367 2.730 6.284 114 HG2 PRO 16 2HG PRO 16 8.213 4.572 4.816 115 HG3 PRO 16 1HG PRO 16 7.807 2.882 4.467 116 HD2 PRO 16 2HD PRO 16 6.664 5.056 3.208 117 HD3 PRO 16 1HD PRO 16 5.910 3.454 3.330 118 H GLY 17 H GLY 17 6.514 5.388 8.537 119 HA2 GLY 17 2HA GLY 17 6.634 8.224 8.206 120 HA3 GLY 17 1HA GLY 17 7.191 7.316 9.603 Start of MODEL 3 1 H1 GLY 1 H GLY 1 1.542 -2.442 0.894 2 HA2 GLY 1 2HA GLY 1 0.498 -5.046 1.762 3 HA3 GLY 1 1HA GLY 1 1.391 -4.079 2.923 4 HA PRO 2 HA PRO 2 -2.546 -2.498 4.265 5 HB2 PRO 2 2HB PRO 2 -0.915 -0.089 4.915 6 HB3 PRO 2 1HB PRO 2 -2.042 -0.994 5.932 7 HG2 PRO 2 2HG PRO 2 0.585 -1.256 6.261 8 HG3 PRO 2 1HG PRO 2 -0.493 -2.658 6.398 9 HD2 PRO 2 2HD PRO 2 1.338 -1.880 4.173 10 HD3 PRO 2 1HD PRO 2 0.919 -3.496 4.781 11 HA PRO 3 HA PRO 3 -3.386 -0.391 0.306 12 HB2 PRO 3 2HB PRO 3 -6.041 -0.321 1.671 13 HB3 PRO 3 1HB PRO 3 -5.645 -0.758 0.005 14 HG2 PRO 3 2HG PRO 3 -6.200 -2.642 1.797 15 HG3 PRO 3 1HG PRO 3 -4.920 -2.882 0.593 16 HD2 PRO 3 2HD PRO 3 -4.697 -2.271 3.501 17 HD3 PRO 3 1HD PRO 3 -3.638 -3.251 2.467 18 H GLY 4 H GLY 4 -2.663 1.649 0.231 19 HA2 GLY 4 2HA GLY 4 -4.096 3.670 1.813 20 HA3 GLY 4 1HA GLY 4 -2.341 3.626 1.883 21 H ASP 5 H ASP 5 -1.374 5.039 0.602 22 HA ASP 5 HA ASP 5 -2.797 5.957 -1.804 23 HB2 ASP 5 2HB ASP 5 -2.282 7.671 -0.062 24 HB3 ASP 5 1HB ASP 5 -0.568 7.358 -0.317 25 H ARG 6 H ARG 6 -0.007 4.297 -0.692 26 HA ARG 6 HA ARG 6 1.471 4.716 -3.164 27 HB2 ARG 6 2HB ARG 6 2.264 4.283 -0.567 28 HB3 ARG 6 1HB ARG 6 2.484 2.696 -1.292 29 HG2 ARG 6 2HG ARG 6 4.516 4.055 -1.385 30 HG3 ARG 6 1HG ARG 6 3.923 3.633 -2.992 31 HD2 ARG 6 2HD ARG 6 2.718 6.087 -2.214 32 HD3 ARG 6 1HD ARG 6 4.451 6.207 -1.913 33 HE ARG 6 HE ARG 6 3.974 5.108 -4.474 34 HH11 ARG 6 1HH1 ARG 6 3.841 8.124 -2.723 35 HH12 ARG 6 2HH1 ARG 6 4.101 9.097 -4.132 36 HH21 ARG 6 1HH2 ARG 6 4.317 6.387 -6.328 37 HH22 ARG 6 2HH2 ARG 6 4.370 8.112 -6.180 38 H ILE 7 H ILE 7 2.554 2.543 -3.980 39 HA ILE 7 HA ILE 7 0.402 0.552 -4.254 40 HB ILE 7 HB ILE 7 1.181 2.124 -6.287 41 HG12 ILE 7 2HG1 ILE 7 0.678 -0.650 -7.150 42 HG13 ILE 7 1HG1 ILE 7 -0.461 -0.024 -5.963 43 HG21 ILE 7 1HG2 ILE 7 2.740 1.066 -7.741 44 HG22 ILE 7 2HG2 ILE 7 2.856 -0.344 -6.688 45 HG23 ILE 7 3HG2 ILE 7 3.508 1.206 -6.159 46 HD11 ILE 7 1HD1 ILE 7 -1.294 0.350 -8.188 47 HD12 ILE 7 2HD1 ILE 7 0.189 1.191 -8.636 48 HD13 ILE 7 3HD1 ILE 7 -0.896 1.895 -7.438 49 H GLU 8 H GLU 8 0.903 -1.494 -3.828 50 HA GLU 8 HA GLU 8 3.643 -2.122 -3.066 51 HB2 GLU 8 2HB GLU 8 1.056 -2.910 -2.173 52 HB3 GLU 8 1HB GLU 8 1.879 -4.353 -2.747 53 HG2 GLU 8 2HG GLU 8 3.735 -3.929 -1.257 54 HG3 GLU 8 1HG GLU 8 2.997 -2.416 -0.733 55 H PHE 9 H PHE 9 3.491 -4.942 -3.553 56 HA PHE 9 HA PHE 9 4.335 -4.978 -6.284 57 HB2 PHE 9 2HB PHE 9 3.868 -7.408 -4.561 58 HB3 PHE 9 1HB PHE 9 4.999 -7.222 -5.898 59 HD1 PHE 9 1HD PHE 9 5.190 -7.947 -2.739 60 HD2 PHE 9 2HD PHE 9 6.296 -4.673 -5.222 61 HE1 PHE 9 1HE PHE 9 6.963 -7.341 -1.144 62 HE2 PHE 9 2HE PHE 9 8.073 -4.062 -3.634 63 HZ PHE 9 HZ PHE 9 8.408 -5.398 -1.591 64 H GLY 10 H GLY 10 1.906 -4.114 -6.611 65 HA2 GLY 10 2HA GLY 10 0.351 -4.813 -8.317 66 HA3 GLY 10 1HA GLY 10 0.436 -6.440 -7.660 67 H VAL 11 H VAL 11 0.237 -3.866 -5.384 68 HA VAL 11 HA VAL 11 -2.664 -3.961 -5.220 69 HB VAL 11 HB VAL 11 -1.326 -4.504 -2.629 70 HG11 VAL 11 1HG1 VAL 11 -3.950 -4.470 -3.684 71 HG12 VAL 11 2HG1 VAL 11 -3.441 -4.787 -2.026 72 HG13 VAL 11 3HG1 VAL 11 -3.609 -6.122 -3.167 73 HG21 VAL 11 1HG2 VAL 11 -0.182 -6.138 -3.971 74 HG22 VAL 11 2HG2 VAL 11 -1.694 -6.636 -4.732 75 HG23 VAL 11 3HG2 VAL 11 -1.421 -6.959 -3.020 76 H LEU 12 H LEU 12 -3.343 -2.632 -3.171 77 HA LEU 12 HA LEU 12 -2.072 -0.058 -3.458 78 HB2 LEU 12 2HB LEU 12 -4.233 -0.647 -1.469 79 HB3 LEU 12 1HB LEU 12 -3.916 0.837 -2.346 80 HG LEU 12 HG LEU 12 -4.516 -1.046 -4.326 81 HD11 LEU 12 1HD1 LEU 12 -5.379 -2.445 -2.409 82 HD12 LEU 12 2HD1 LEU 12 -6.533 -2.097 -3.697 83 HD13 LEU 12 3HD1 LEU 12 -6.612 -1.206 -2.178 84 HD21 LEU 12 1HD2 LEU 12 -5.762 1.351 -3.126 85 HD22 LEU 12 2HD2 LEU 12 -6.798 0.334 -4.127 86 HD23 LEU 12 3HD2 LEU 12 -5.318 1.018 -4.800 87 H ALA 13 H ALA 13 -1.053 1.134 -1.826 88 HA ALA 13 HA ALA 13 -0.503 -0.229 0.704 89 HB1 ALA 13 1HB ALA 13 1.908 0.244 0.514 90 HB2 ALA 13 2HB ALA 13 1.650 0.804 -1.138 91 HB3 ALA 13 3HB ALA 13 1.343 -0.881 -0.721 92 H GLN 14 H GLN 14 0.835 1.295 2.163 93 HA GLN 14 HA GLN 14 -0.144 4.051 1.796 94 HB2 GLN 14 2HB GLN 14 -0.482 4.229 4.179 95 HB3 GLN 14 1HB GLN 14 -1.348 2.818 3.585 96 HG2 GLN 14 2HG GLN 14 0.362 1.352 4.428 97 HG3 GLN 14 1HG GLN 14 1.354 2.728 4.905 98 HE21 GLN 14 1HE2 GLN 14 0.058 4.328 6.340 99 HE22 GLN 14 2HE2 GLN 14 -0.794 3.600 7.654 100 H LEU 15 H LEU 15 1.165 5.742 2.618 101 HA LEU 15 HA LEU 15 3.925 5.001 3.297 102 HB2 LEU 15 2HB LEU 15 4.838 6.622 1.795 103 HB3 LEU 15 1HB LEU 15 3.767 5.575 0.883 104 HG LEU 15 HG LEU 15 2.674 8.143 1.936 105 HD11 LEU 15 1HD1 LEU 15 3.546 9.438 0.179 106 HD12 LEU 15 2HD1 LEU 15 4.198 8.024 -0.649 107 HD13 LEU 15 3HD1 LEU 15 4.929 8.580 0.857 108 HD21 LEU 15 1HD2 LEU 15 1.637 7.934 -0.455 109 HD22 LEU 15 2HD2 LEU 15 1.028 6.942 0.870 110 HD23 LEU 15 3HD2 LEU 15 2.143 6.251 -0.307 111 HA PRO 16 HA PRO 16 3.401 8.089 6.398 112 HB2 PRO 16 2HB PRO 16 5.927 8.386 7.204 113 HB3 PRO 16 1HB PRO 16 5.071 6.856 7.430 114 HG2 PRO 16 2HG PRO 16 7.068 7.614 5.334 115 HG3 PRO 16 1HG PRO 16 6.937 6.109 6.261 116 HD2 PRO 16 2HD PRO 16 5.984 6.441 3.700 117 HD3 PRO 16 1HD PRO 16 5.358 5.243 4.851 118 H GLY 17 H GLY 17 2.680 9.910 5.255 119 HA2 GLY 17 2HA GLY 17 3.805 12.276 5.387 120 HA3 GLY 17 1HA GLY 17 4.703 11.634 4.020 Start of MODEL 4 1 H1 GLY 1 H GLY 1 1.966 -2.247 1.100 2 HA2 GLY 1 2HA GLY 1 1.155 -4.679 2.537 3 HA3 GLY 1 1HA GLY 1 1.576 -3.160 3.310 4 HA PRO 2 HA PRO 2 -3.006 -3.221 3.491 5 HB2 PRO 2 2HB PRO 2 -2.299 -0.783 5.059 6 HB3 PRO 2 1HB PRO 2 -3.454 -2.066 5.435 7 HG2 PRO 2 2HG PRO 2 -1.099 -1.970 6.665 8 HG3 PRO 2 1HG PRO 2 -1.800 -3.521 6.168 9 HD2 PRO 2 2HD PRO 2 0.426 -1.964 4.935 10 HD3 PRO 2 1HD PRO 2 0.218 -3.721 5.074 11 HA PRO 3 HA PRO 3 -3.723 -0.442 0.096 12 HB2 PRO 3 2HB PRO 3 -6.409 -0.148 1.345 13 HB3 PRO 3 1HB PRO 3 -5.980 -0.577 -0.314 14 HG2 PRO 3 2HG PRO 3 -6.851 -2.432 1.385 15 HG3 PRO 3 1HG PRO 3 -5.557 -2.792 0.226 16 HD2 PRO 3 2HD PRO 3 -5.385 -2.263 3.160 17 HD3 PRO 3 1HD PRO 3 -4.446 -3.387 2.157 18 H GLY 4 H GLY 4 -2.585 1.412 0.430 19 HA2 GLY 4 2HA GLY 4 -3.836 3.429 2.193 20 HA3 GLY 4 1HA GLY 4 -2.095 3.263 2.026 21 H ASP 5 H ASP 5 -1.249 4.843 0.859 22 HA ASP 5 HA ASP 5 -2.830 5.942 -1.368 23 HB2 ASP 5 2HB ASP 5 -1.186 7.192 0.719 24 HB3 ASP 5 1HB ASP 5 -0.860 7.798 -0.902 25 H ARG 6 H ARG 6 -0.038 4.177 -0.581 26 HA ARG 6 HA ARG 6 1.296 4.871 -3.095 27 HB2 ARG 6 2HB ARG 6 2.305 4.414 -0.570 28 HB3 ARG 6 1HB ARG 6 2.601 2.884 -1.383 29 HG2 ARG 6 2HG ARG 6 3.682 4.207 -3.233 30 HG3 ARG 6 1HG ARG 6 3.582 5.611 -2.170 31 HD2 ARG 6 2HD ARG 6 5.771 4.585 -1.992 32 HD3 ARG 6 1HD ARG 6 4.888 4.404 -0.476 33 HE ARG 6 HE ARG 6 4.375 2.110 -1.896 34 HH11 ARG 6 1HH1 ARG 6 7.227 3.735 -0.713 35 HH12 ARG 6 2HH1 ARG 6 8.132 2.272 -0.517 36 HH21 ARG 6 1HH2 ARG 6 5.564 0.184 -1.638 37 HH22 ARG 6 2HH2 ARG 6 7.188 0.257 -1.042 38 H ILE 7 H ILE 7 2.588 2.637 -3.802 39 HA ILE 7 HA ILE 7 0.454 0.644 -4.189 40 HB ILE 7 HB ILE 7 1.389 2.183 -6.190 41 HG12 ILE 7 2HG1 ILE 7 0.659 -0.736 -6.492 42 HG13 ILE 7 1HG1 ILE 7 -0.496 0.569 -6.241 43 HG21 ILE 7 1HG2 ILE 7 3.688 1.228 -5.884 44 HG22 ILE 7 2HG2 ILE 7 3.029 1.081 -7.514 45 HG23 ILE 7 3HG2 ILE 7 3.046 -0.318 -6.440 46 HD11 ILE 7 1HD1 ILE 7 0.433 1.598 -8.361 47 HD12 ILE 7 2HD1 ILE 7 -0.524 0.127 -8.539 48 HD13 ILE 7 3HD1 ILE 7 1.236 0.050 -8.630 49 H GLU 8 H GLU 8 0.922 -1.401 -3.710 50 HA GLU 8 HA GLU 8 3.620 -2.019 -2.791 51 HB2 GLU 8 2HB GLU 8 1.118 -2.635 -1.790 52 HB3 GLU 8 1HB GLU 8 1.613 -4.138 -2.557 53 HG2 GLU 8 2HG GLU 8 3.551 -4.295 -1.210 54 HG3 GLU 8 1HG GLU 8 3.356 -2.646 -0.620 55 H PHE 9 H PHE 9 3.310 -4.888 -3.205 56 HA PHE 9 HA PHE 9 4.391 -5.037 -5.842 57 HB2 PHE 9 2HB PHE 9 4.603 -7.455 -5.385 58 HB3 PHE 9 1HB PHE 9 5.264 -6.474 -4.083 59 HD1 PHE 9 1HD PHE 9 4.025 -6.260 -1.950 60 HD2 PHE 9 2HD PHE 9 2.782 -8.930 -5.023 61 HE1 PHE 9 1HE PHE 9 2.629 -7.473 -0.328 62 HE2 PHE 9 2HE PHE 9 1.383 -10.145 -3.405 63 HZ PHE 9 HZ PHE 9 1.304 -9.417 -1.055 64 H GLY 10 H GLY 10 2.043 -4.009 -6.384 65 HA2 GLY 10 2HA GLY 10 0.607 -4.592 -8.220 66 HA3 GLY 10 1HA GLY 10 0.575 -6.242 -7.617 67 H VAL 11 H VAL 11 0.254 -3.760 -5.263 68 HA VAL 11 HA VAL 11 -2.652 -3.732 -5.385 69 HB VAL 11 HB VAL 11 -1.561 -4.462 -2.715 70 HG11 VAL 11 1HG1 VAL 11 -4.117 -4.489 -4.152 71 HG12 VAL 11 2HG1 VAL 11 -3.779 -4.269 -2.436 72 HG13 VAL 11 3HG1 VAL 11 -3.836 -5.892 -3.121 73 HG21 VAL 11 1HG2 VAL 11 -0.457 -6.104 -4.115 74 HG22 VAL 11 2HG2 VAL 11 -1.980 -6.481 -4.921 75 HG23 VAL 11 3HG2 VAL 11 -1.765 -6.871 -3.215 76 H LEU 12 H LEU 12 -3.499 -2.413 -3.414 77 HA LEU 12 HA LEU 12 -2.138 0.106 -3.473 78 HB2 LEU 12 2HB LEU 12 -4.458 -0.683 -1.716 79 HB3 LEU 12 1HB LEU 12 -3.974 0.941 -2.167 80 HG LEU 12 HG LEU 12 -4.833 -1.033 -4.259 81 HD11 LEU 12 1HD1 LEU 12 -7.067 0.381 -3.941 82 HD12 LEU 12 2HD1 LEU 12 -6.510 0.377 -2.268 83 HD13 LEU 12 3HD1 LEU 12 -6.784 -1.149 -3.109 84 HD21 LEU 12 1HD2 LEU 12 -3.709 1.079 -4.906 85 HD22 LEU 12 2HD2 LEU 12 -5.011 1.973 -4.122 86 HD23 LEU 12 3HD2 LEU 12 -5.359 0.949 -5.515 87 H ALA 13 H ALA 13 -0.870 1.041 -1.942 88 HA ALA 13 HA ALA 13 -0.546 -0.356 0.622 89 HB1 ALA 13 1HB ALA 13 1.326 -1.172 -0.461 90 HB2 ALA 13 2HB ALA 13 1.960 0.254 0.361 91 HB3 ALA 13 3HB ALA 13 1.585 0.323 -1.361 92 H GLN 14 H GLN 14 1.088 1.090 2.005 93 HA GLN 14 HA GLN 14 -0.162 3.730 2.099 94 HB2 GLN 14 2HB GLN 14 0.708 3.871 4.368 95 HB3 GLN 14 1HB GLN 14 -0.172 2.365 4.148 96 HG2 GLN 14 2HG GLN 14 2.291 1.515 3.551 97 HG3 GLN 14 1HG GLN 14 2.698 2.835 4.647 98 HE21 GLN 14 1HE2 GLN 14 0.209 0.302 4.496 99 HE22 GLN 14 2HE2 GLN 14 0.427 -0.245 6.120 100 H LEU 15 H LEU 15 1.201 5.609 2.637 101 HA LEU 15 HA LEU 15 3.753 5.467 1.182 102 HB2 LEU 15 2HB LEU 15 3.443 8.025 1.143 103 HB3 LEU 15 1HB LEU 15 2.458 7.040 0.078 104 HG LEU 15 HG LEU 15 0.575 7.222 1.652 105 HD11 LEU 15 1HD1 LEU 15 2.623 8.659 3.263 106 HD12 LEU 15 2HD1 LEU 15 1.378 7.518 3.774 107 HD13 LEU 15 3HD1 LEU 15 0.942 9.178 3.367 108 HD21 LEU 15 1HD2 LEU 15 1.793 9.834 0.773 109 HD22 LEU 15 2HD2 LEU 15 0.121 9.627 1.293 110 HD23 LEU 15 3HD2 LEU 15 0.701 8.808 -0.157 111 HA PRO 16 HA PRO 16 5.888 6.429 4.917 112 HB2 PRO 16 2HB PRO 16 8.259 7.154 3.938 113 HB3 PRO 16 1HB PRO 16 7.657 5.505 3.735 114 HG2 PRO 16 2HG PRO 16 7.670 7.770 1.779 115 HG3 PRO 16 1HG PRO 16 8.061 6.062 1.514 116 HD2 PRO 16 2HD PRO 16 5.627 7.215 0.923 117 HD3 PRO 16 1HD PRO 16 5.868 5.486 1.239 118 H GLY 17 H GLY 17 7.695 8.284 5.517 119 HA2 GLY 17 2HA GLY 17 7.975 10.762 4.977 120 HA3 GLY 17 1HA GLY 17 6.228 10.817 5.152 Start of MODEL 5 1 H1 GLY 1 H GLY 1 1.534 -2.465 0.889 2 HA2 GLY 1 2HA GLY 1 0.386 -5.050 1.678 3 HA3 GLY 1 1HA GLY 1 1.334 -4.153 2.854 4 HA PRO 2 HA PRO 2 -2.493 -2.428 4.326 5 HB2 PRO 2 2HB PRO 2 -0.744 -0.075 4.881 6 HB3 PRO 2 1HB PRO 2 -1.884 -0.906 5.947 7 HG2 PRO 2 2HG PRO 2 0.735 -1.291 6.207 8 HG3 PRO 2 1HG PRO 2 -0.404 -2.636 6.395 9 HD2 PRO 2 2HD PRO 2 1.411 -1.990 4.119 10 HD3 PRO 2 1HD PRO 2 0.907 -3.570 4.751 11 HA PRO 3 HA PRO 3 -3.351 -0.347 0.342 12 HB2 PRO 3 2HB PRO 3 -5.997 -0.292 1.725 13 HB3 PRO 3 1HB PRO 3 -5.609 -0.720 0.055 14 HG2 PRO 3 2HG PRO 3 -6.144 -2.614 1.842 15 HG3 PRO 3 1HG PRO 3 -4.869 -2.843 0.632 16 HD2 PRO 3 2HD PRO 3 -4.636 -2.238 3.539 17 HD3 PRO 3 1HD PRO 3 -3.577 -3.211 2.499 18 H GLY 4 H GLY 4 -2.721 1.711 0.193 19 HA2 GLY 4 2HA GLY 4 -4.111 3.712 1.833 20 HA3 GLY 4 1HA GLY 4 -2.355 3.698 1.833 21 H ASP 5 H ASP 5 -1.432 5.072 0.480 22 HA ASP 5 HA ASP 5 -2.966 5.953 -1.875 23 HB2 ASP 5 2HB ASP 5 -1.258 7.384 0.071 24 HB3 ASP 5 1HB ASP 5 -1.073 7.872 -1.611 25 H ARG 6 H ARG 6 -0.125 4.350 -0.841 26 HA ARG 6 HA ARG 6 1.250 4.799 -3.377 27 HB2 ARG 6 2HB ARG 6 2.120 4.355 -0.737 28 HB3 ARG 6 1HB ARG 6 2.571 2.913 -1.636 29 HG2 ARG 6 2HG ARG 6 3.351 4.891 -3.340 30 HG3 ARG 6 1HG ARG 6 3.647 5.629 -1.764 31 HD2 ARG 6 2HD ARG 6 5.521 4.452 -1.590 32 HD3 ARG 6 1HD ARG 6 4.573 2.966 -1.615 33 HE ARG 6 HE ARG 6 4.791 3.592 -4.234 34 HH11 ARG 6 1HH1 ARG 6 7.134 3.276 -1.666 35 HH12 ARG 6 2HH1 ARG 6 8.408 2.766 -2.722 36 HH21 ARG 6 1HH2 ARG 6 6.465 2.922 -5.623 37 HH22 ARG 6 2HH2 ARG 6 8.028 2.565 -4.969 38 H ILE 7 H ILE 7 2.428 2.645 -4.143 39 HA ILE 7 HA ILE 7 0.347 0.567 -4.302 40 HB ILE 7 HB ILE 7 1.080 2.040 -6.410 41 HG12 ILE 7 2HG1 ILE 7 0.654 -0.332 -7.673 42 HG13 ILE 7 1HG1 ILE 7 0.062 -0.706 -6.058 43 HG21 ILE 7 1HG2 ILE 7 2.910 -0.343 -6.624 44 HG22 ILE 7 2HG2 ILE 7 3.452 1.282 -6.204 45 HG23 ILE 7 3HG2 ILE 7 2.721 0.976 -7.779 46 HD11 ILE 7 1HD1 ILE 7 -1.319 1.417 -6.250 47 HD12 ILE 7 2HD1 ILE 7 -1.804 0.045 -7.245 48 HD13 ILE 7 3HD1 ILE 7 -0.914 1.386 -7.966 49 H GLU 8 H GLU 8 0.895 -1.455 -3.816 50 HA GLU 8 HA GLU 8 3.631 -1.978 -2.965 51 HB2 GLU 8 2HB GLU 8 1.117 -2.722 -1.997 52 HB3 GLU 8 1HB GLU 8 1.776 -4.200 -2.684 53 HG2 GLU 8 2HG GLU 8 3.754 -3.991 -1.299 54 HG3 GLU 8 1HG GLU 8 3.159 -2.463 -0.650 55 H PHE 9 H PHE 9 3.461 -4.847 -3.376 56 HA PHE 9 HA PHE 9 4.423 -4.940 -6.073 57 HB2 PHE 9 2HB PHE 9 4.525 -7.486 -5.506 58 HB3 PHE 9 1HB PHE 9 5.629 -6.376 -4.704 59 HD1 PHE 9 1HD PHE 9 2.454 -8.236 -4.280 60 HD2 PHE 9 2HD PHE 9 5.651 -6.172 -2.374 61 HE1 PHE 9 1HE PHE 9 1.657 -9.032 -2.092 62 HE2 PHE 9 2HE PHE 9 4.861 -6.965 -0.183 63 HZ PHE 9 HZ PHE 9 2.862 -8.396 -0.040 64 H GLY 10 H GLY 10 1.998 -4.087 -6.496 65 HA2 GLY 10 2HA GLY 10 0.511 -4.819 -8.245 66 HA3 GLY 10 1HA GLY 10 0.586 -6.439 -7.568 67 H VAL 11 H VAL 11 0.278 -3.877 -5.299 68 HA VAL 11 HA VAL 11 -2.629 -3.968 -5.272 69 HB VAL 11 HB VAL 11 -1.401 -4.545 -2.629 70 HG11 VAL 11 1HG1 VAL 11 -3.638 -4.395 -2.343 71 HG12 VAL 11 2HG1 VAL 11 -3.583 -6.094 -2.810 72 HG13 VAL 11 3HG1 VAL 11 -3.995 -4.864 -4.004 73 HG21 VAL 11 1HG2 VAL 11 -0.272 -6.167 -4.086 74 HG22 VAL 11 2HG2 VAL 11 -1.838 -6.714 -4.684 75 HG23 VAL 11 3HG2 VAL 11 -1.409 -6.954 -2.992 76 H LEU 12 H LEU 12 -3.416 -2.640 -3.270 77 HA LEU 12 HA LEU 12 -2.180 -0.059 -3.489 78 HB2 LEU 12 2HB LEU 12 -4.256 -0.624 -1.429 79 HB3 LEU 12 1HB LEU 12 -4.054 0.785 -2.452 80 HG LEU 12 HG LEU 12 -4.664 -1.133 -4.299 81 HD11 LEU 12 1HD1 LEU 12 -5.166 -2.487 -2.034 82 HD12 LEU 12 2HD1 LEU 12 -6.054 -2.735 -3.538 83 HD13 LEU 12 3HD1 LEU 12 -6.728 -1.704 -2.275 84 HD21 LEU 12 1HD2 LEU 12 -5.839 0.778 -4.602 85 HD22 LEU 12 2HD2 LEU 12 -6.142 0.995 -2.878 86 HD23 LEU 12 3HD2 LEU 12 -7.107 -0.155 -3.805 87 H ALA 13 H ALA 13 -1.172 1.141 -1.845 88 HA ALA 13 HA ALA 13 -0.596 -0.207 0.676 89 HB1 ALA 13 1HB ALA 13 1.188 -0.891 -0.909 90 HB2 ALA 13 2HB ALA 13 1.787 0.009 0.484 91 HB3 ALA 13 3HB ALA 13 1.631 0.808 -1.080 92 H GLN 14 H GLN 14 0.766 1.273 2.116 93 HA GLN 14 HA GLN 14 0.011 4.084 1.668 94 HB2 GLN 14 2HB GLN 14 -0.575 4.343 3.970 95 HB3 GLN 14 1HB GLN 14 -1.429 2.929 3.371 96 HG2 GLN 14 2HG GLN 14 -0.653 1.879 5.163 97 HG3 GLN 14 1HG GLN 14 0.909 1.867 4.347 98 HE21 GLN 14 1HE2 GLN 14 -1.070 3.466 6.734 99 HE22 GLN 14 2HE2 GLN 14 0.217 4.295 7.535 100 H LEU 15 H LEU 15 1.457 5.654 2.380 101 HA LEU 15 HA LEU 15 4.145 4.636 3.011 102 HB2 LEU 15 2HB LEU 15 5.035 6.633 2.024 103 HB3 LEU 15 1HB LEU 15 3.905 5.905 0.899 104 HG LEU 15 HG LEU 15 2.796 7.991 2.681 105 HD11 LEU 15 1HD1 LEU 15 4.972 8.495 0.710 106 HD12 LEU 15 2HD1 LEU 15 4.659 9.263 2.266 107 HD13 LEU 15 3HD1 LEU 15 3.663 9.666 0.867 108 HD21 LEU 15 1HD2 LEU 15 1.206 7.384 1.189 109 HD22 LEU 15 2HD2 LEU 15 2.382 6.890 -0.030 110 HD23 LEU 15 3HD2 LEU 15 2.012 8.599 0.196 111 HA PRO 16 HA PRO 16 3.924 6.661 6.921 112 HB2 PRO 16 2HB PRO 16 6.502 6.656 7.606 113 HB3 PRO 16 1HB PRO 16 5.603 5.144 7.424 114 HG2 PRO 16 2HG PRO 16 7.496 6.461 5.516 115 HG3 PRO 16 1HG PRO 16 7.369 4.750 5.963 116 HD2 PRO 16 2HD PRO 16 6.275 5.835 3.686 117 HD3 PRO 16 1HD PRO 16 5.672 4.368 4.480 118 H GLY 17 H GLY 17 3.193 8.721 5.993 119 HA2 GLY 17 2HA GLY 17 4.964 10.850 6.694 120 HA3 GLY 17 1HA GLY 17 4.762 10.731 4.953 Start of MODEL 6 1 H1 GLY 1 H GLY 1 2.150 -2.123 1.010 2 HA2 GLY 1 2HA GLY 1 1.340 -4.535 2.496 3 HA3 GLY 1 1HA GLY 1 1.699 -2.975 3.220 4 HA PRO 2 HA PRO 2 -2.894 -3.304 3.401 5 HB2 PRO 2 2HB PRO 2 -2.303 -0.869 5.020 6 HB3 PRO 2 1HB PRO 2 -3.406 -2.207 5.362 7 HG2 PRO 2 2HG PRO 2 -1.063 -2.028 6.611 8 HG3 PRO 2 1HG PRO 2 -1.702 -3.600 6.093 9 HD2 PRO 2 2HD PRO 2 0.482 -1.954 4.904 10 HD3 PRO 2 1HD PRO 2 0.321 -3.719 5.001 11 HA PRO 3 HA PRO 3 -3.927 -0.489 0.157 12 HB2 PRO 3 2HB PRO 3 -6.389 0.055 1.748 13 HB3 PRO 3 1HB PRO 3 -6.226 -0.424 0.055 14 HG2 PRO 3 2HG PRO 3 -7.003 -2.186 1.891 15 HG3 PRO 3 1HG PRO 3 -5.905 -2.661 0.581 16 HD2 PRO 3 2HD PRO 3 -5.308 -2.124 3.456 17 HD3 PRO 3 1HD PRO 3 -4.591 -3.320 2.357 18 H GLY 4 H GLY 4 -2.659 1.296 0.216 19 HA2 GLY 4 2HA GLY 4 -3.452 3.433 2.099 20 HA3 GLY 4 1HA GLY 4 -1.780 3.131 1.656 21 H ASP 5 H ASP 5 -1.206 4.949 0.616 22 HA ASP 5 HA ASP 5 -2.966 5.967 -1.500 23 HB2 ASP 5 2HB ASP 5 -2.129 7.494 0.356 24 HB3 ASP 5 1HB ASP 5 -0.531 7.345 -0.371 25 H ARG 6 H ARG 6 0.042 4.374 -0.954 26 HA ARG 6 HA ARG 6 0.955 4.937 -3.679 27 HB2 ARG 6 2HB ARG 6 3.082 4.013 -3.007 28 HB3 ARG 6 1HB ARG 6 2.564 5.182 -1.802 29 HG2 ARG 6 2HG ARG 6 1.896 3.429 -0.305 30 HG3 ARG 6 1HG ARG 6 2.216 2.206 -1.536 31 HD2 ARG 6 2HD ARG 6 4.192 3.945 -0.081 32 HD3 ARG 6 1HD ARG 6 4.072 2.185 -0.063 33 HE ARG 6 HE ARG 6 4.548 2.713 -2.660 34 HH11 ARG 6 1HH1 ARG 6 6.129 3.743 0.277 35 HH12 ARG 6 2HH1 ARG 6 7.685 3.891 -0.465 36 HH21 ARG 6 1HH2 ARG 6 6.595 2.908 -3.637 37 HH22 ARG 6 2HH2 ARG 6 7.951 3.417 -2.687 38 H ILE 7 H ILE 7 2.366 2.686 -4.294 39 HA ILE 7 HA ILE 7 0.293 0.594 -4.354 40 HB ILE 7 HB ILE 7 1.013 1.961 -6.534 41 HG12 ILE 7 2HG1 ILE 7 0.708 -0.916 -7.102 42 HG13 ILE 7 1HG1 ILE 7 -0.491 -0.245 -6.001 43 HG21 ILE 7 1HG2 ILE 7 2.673 0.881 -7.843 44 HG22 ILE 7 2HG2 ILE 7 2.843 -0.424 -6.670 45 HG23 ILE 7 3HG2 ILE 7 3.395 1.200 -6.267 46 HD11 ILE 7 1HD1 ILE 7 -1.569 0.185 -7.927 47 HD12 ILE 7 2HD1 ILE 7 -0.083 0.220 -8.879 48 HD13 ILE 7 3HD1 ILE 7 -0.549 1.624 -7.917 49 H GLU 8 H GLU 8 0.859 -1.403 -3.777 50 HA GLU 8 HA GLU 8 3.604 -1.872 -2.920 51 HB2 GLU 8 2HB GLU 8 1.199 -2.493 -1.772 52 HB3 GLU 8 1HB GLU 8 1.613 -4.013 -2.553 53 HG2 GLU 8 2HG GLU 8 3.645 -4.182 -1.333 54 HG3 GLU 8 1HG GLU 8 3.483 -2.536 -0.722 55 H PHE 9 H PHE 9 3.323 -4.782 -3.194 56 HA PHE 9 HA PHE 9 4.341 -5.014 -5.863 57 HB2 PHE 9 2HB PHE 9 4.128 -6.764 -3.481 58 HB3 PHE 9 1HB PHE 9 4.174 -7.579 -5.041 59 HD1 PHE 9 1HD PHE 9 6.273 -8.532 -5.181 60 HD2 PHE 9 2HD PHE 9 5.907 -4.486 -3.915 61 HE1 PHE 9 1HE PHE 9 8.722 -8.299 -5.233 62 HE2 PHE 9 2HE PHE 9 8.354 -4.245 -3.966 63 HZ PHE 9 HZ PHE 9 9.766 -6.153 -4.626 64 H GLY 10 H GLY 10 1.936 -4.118 -6.371 65 HA2 GLY 10 2HA GLY 10 0.484 -4.918 -8.132 66 HA3 GLY 10 1HA GLY 10 0.485 -6.490 -7.348 67 H VAL 11 H VAL 11 0.203 -3.874 -5.175 68 HA VAL 11 HA VAL 11 -2.702 -3.782 -5.292 69 HB VAL 11 HB VAL 11 -1.704 -4.368 -2.573 70 HG11 VAL 11 1HG1 VAL 11 -3.952 -4.197 -2.489 71 HG12 VAL 11 2HG1 VAL 11 -3.880 -5.900 -2.940 72 HG13 VAL 11 3HG1 VAL 11 -4.162 -4.672 -4.173 73 HG21 VAL 11 1HG2 VAL 11 -1.961 -6.568 -4.624 74 HG22 VAL 11 2HG2 VAL 11 -1.721 -6.788 -2.891 75 HG23 VAL 11 3HG2 VAL 11 -0.460 -6.035 -3.867 76 H LEU 12 H LEU 12 -3.470 -2.426 -3.276 77 HA LEU 12 HA LEU 12 -2.124 0.097 -3.497 78 HB2 LEU 12 2HB LEU 12 -4.423 -0.728 -1.721 79 HB3 LEU 12 1HB LEU 12 -3.891 0.920 -1.997 80 HG LEU 12 HG LEU 12 -4.934 -0.890 -4.174 81 HD11 LEU 12 1HD1 LEU 12 -6.554 -0.250 -2.276 82 HD12 LEU 12 2HD1 LEU 12 -7.050 0.041 -3.943 83 HD13 LEU 12 3HD1 LEU 12 -6.463 1.377 -2.952 84 HD21 LEU 12 1HD2 LEU 12 -3.966 1.915 -4.036 85 HD22 LEU 12 2HD2 LEU 12 -5.319 1.554 -5.109 86 HD23 LEU 12 3HD2 LEU 12 -3.782 0.714 -5.315 87 H ALA 13 H ALA 13 -0.859 1.138 -2.006 88 HA ALA 13 HA ALA 13 -0.377 -0.217 0.555 89 HB1 ALA 13 1HB ALA 13 2.110 0.582 0.079 90 HB2 ALA 13 2HB ALA 13 1.588 0.349 -1.590 91 HB3 ALA 13 3HB ALA 13 1.510 -0.991 -0.447 92 H GLN 14 H GLN 14 0.889 1.191 2.080 93 HA GLN 14 HA GLN 14 0.102 4.008 1.730 94 HB2 GLN 14 2HB GLN 14 0.221 3.963 4.340 95 HB3 GLN 14 1HB GLN 14 -1.203 3.343 3.519 96 HG2 GLN 14 2HG GLN 14 -0.424 1.923 5.384 97 HG3 GLN 14 1HG GLN 14 -0.485 1.086 3.833 98 HE21 GLN 14 1HE2 GLN 14 1.159 -0.211 3.526 99 HE22 GLN 14 2HE2 GLN 14 2.775 0.027 4.088 100 H LEU 15 H LEU 15 1.463 5.605 2.769 101 HA LEU 15 HA LEU 15 4.199 4.744 3.363 102 HB2 LEU 15 2HB LEU 15 4.815 6.918 1.956 103 HB3 LEU 15 1HB LEU 15 4.731 5.323 1.235 104 HG LEU 15 HG LEU 15 2.415 5.826 0.483 105 HD11 LEU 15 1HD1 LEU 15 3.037 8.623 1.420 106 HD12 LEU 15 2HD1 LEU 15 1.906 7.517 2.200 107 HD13 LEU 15 3HD1 LEU 15 1.587 8.094 0.564 108 HD21 LEU 15 1HD2 LEU 15 4.185 6.102 -1.093 109 HD22 LEU 15 2HD2 LEU 15 4.628 7.666 -0.406 110 HD23 LEU 15 3HD2 LEU 15 3.097 7.480 -1.262 111 HA PRO 16 HA PRO 16 3.959 7.909 6.405 112 HB2 PRO 16 2HB PRO 16 6.531 8.364 6.919 113 HB3 PRO 16 1HB PRO 16 5.813 6.778 7.224 114 HG2 PRO 16 2HG PRO 16 7.499 7.681 4.921 115 HG3 PRO 16 1HG PRO 16 7.578 6.166 5.840 116 HD2 PRO 16 2HD PRO 16 6.311 6.448 3.409 117 HD3 PRO 16 1HD PRO 16 5.919 5.196 4.605 118 H GLY 17 H GLY 17 4.917 10.124 7.002 119 HA2 GLY 17 2HA GLY 17 4.291 11.973 5.001 120 HA3 GLY 17 1HA GLY 17 5.154 12.347 6.485 Start of MODEL 7 1 H1 GLY 1 H GLY 1 1.296 -2.187 0.264 2 HA2 GLY 1 2HA GLY 1 1.271 -4.464 1.967 3 HA3 GLY 1 1HA GLY 1 1.674 -2.974 2.805 4 HA PRO 2 HA PRO 2 -2.868 -3.270 3.351 5 HB2 PRO 2 2HB PRO 2 -2.140 -0.824 4.900 6 HB3 PRO 2 1HB PRO 2 -3.212 -2.159 5.342 7 HG2 PRO 2 2HG PRO 2 -0.769 -1.988 6.379 8 HG3 PRO 2 1HG PRO 2 -1.451 -3.558 5.915 9 HD2 PRO 2 2HD PRO 2 0.622 -1.910 4.546 10 HD3 PRO 2 1HD PRO 2 0.466 -3.675 4.648 11 HA PRO 3 HA PRO 3 -4.277 -0.450 0.264 12 HB2 PRO 3 2HB PRO 3 -6.551 0.120 2.095 13 HB3 PRO 3 1HB PRO 3 -6.568 -0.413 0.411 14 HG2 PRO 3 2HG PRO 3 -7.140 -2.113 2.380 15 HG3 PRO 3 1HG PRO 3 -6.198 -2.633 0.970 16 HD2 PRO 3 2HD PRO 3 -5.277 -1.994 3.739 17 HD3 PRO 3 1HD PRO 3 -4.702 -3.245 2.618 18 H GLY 4 H GLY 4 -2.749 1.209 0.424 19 HA2 GLY 4 2HA GLY 4 -3.469 3.418 2.251 20 HA3 GLY 4 1HA GLY 4 -1.832 3.083 1.711 21 H ASP 5 H ASP 5 -1.259 4.833 0.573 22 HA ASP 5 HA ASP 5 -3.124 5.821 -1.478 23 HB2 ASP 5 2HB ASP 5 -1.912 7.252 0.500 24 HB3 ASP 5 1HB ASP 5 -0.772 7.475 -0.823 25 H ARG 6 H ARG 6 0.064 4.546 -0.900 26 HA ARG 6 HA ARG 6 0.901 5.043 -3.646 27 HB2 ARG 6 2HB ARG 6 2.301 4.975 -1.306 28 HB3 ARG 6 1HB ARG 6 2.601 3.357 -1.926 29 HG2 ARG 6 2HG ARG 6 3.156 4.648 -4.140 30 HG3 ARG 6 1HG ARG 6 3.418 5.995 -3.030 31 HD2 ARG 6 2HD ARG 6 5.507 5.138 -2.945 32 HD3 ARG 6 1HD ARG 6 4.779 4.079 -1.739 33 HE ARG 6 HE ARG 6 5.037 2.320 -3.180 34 HH11 ARG 6 1HH1 ARG 6 5.416 5.298 -4.960 35 HH12 ARG 6 2HH1 ARG 6 5.937 4.510 -6.412 36 HH21 ARG 6 1HH2 ARG 6 5.723 1.282 -5.088 37 HH22 ARG 6 2HH2 ARG 6 6.111 2.230 -6.484 38 H ILE 7 H ILE 7 2.450 2.759 -4.100 39 HA ILE 7 HA ILE 7 0.376 0.676 -4.298 40 HB ILE 7 HB ILE 7 1.372 1.973 -6.434 41 HG12 ILE 7 2HG1 ILE 7 1.011 -0.668 -7.354 42 HG13 ILE 7 1HG1 ILE 7 -0.006 -0.505 -5.926 43 HG21 ILE 7 1HG2 ILE 7 3.140 0.881 -7.500 44 HG22 ILE 7 2HG2 ILE 7 3.048 -0.514 -6.426 45 HG23 ILE 7 3HG2 ILE 7 3.670 1.021 -5.824 46 HD11 ILE 7 1HD1 ILE 7 -0.057 1.232 -8.379 47 HD12 ILE 7 2HD1 ILE 7 -1.015 1.512 -6.925 48 HD13 ILE 7 3HD1 ILE 7 -1.271 0.053 -7.882 49 H GLU 8 H GLU 8 1.330 -1.535 -4.700 50 HA GLU 8 HA GLU 8 3.900 -1.943 -3.369 51 HB2 GLU 8 2HB GLU 8 1.480 -2.299 -2.043 52 HB3 GLU 8 1HB GLU 8 1.938 -3.925 -2.529 53 HG2 GLU 8 2HG GLU 8 4.134 -3.592 -1.463 54 HG3 GLU 8 1HG GLU 8 3.604 -2.001 -0.925 55 H PHE 9 H PHE 9 3.449 -4.835 -3.241 56 HA PHE 9 HA PHE 9 4.297 -5.493 -5.872 57 HB2 PHE 9 2HB PHE 9 4.360 -7.815 -5.051 58 HB3 PHE 9 1HB PHE 9 5.154 -6.708 -3.938 59 HD1 PHE 9 1HD PHE 9 2.455 -9.069 -4.401 60 HD2 PHE 9 2HD PHE 9 4.038 -6.083 -1.815 61 HE1 PHE 9 1HE PHE 9 1.051 -9.917 -2.569 62 HE2 PHE 9 2HE PHE 9 2.636 -6.927 0.022 63 HZ PHE 9 HZ PHE 9 1.141 -8.846 -0.354 64 H GLY 10 H GLY 10 1.987 -4.355 -6.431 65 HA2 GLY 10 2HA GLY 10 0.386 -5.042 -8.066 66 HA3 GLY 10 1HA GLY 10 0.317 -6.614 -7.286 67 H VAL 11 H VAL 11 0.273 -3.936 -5.150 68 HA VAL 11 HA VAL 11 -2.627 -3.719 -5.135 69 HB VAL 11 HB VAL 11 -1.462 -4.320 -2.468 70 HG11 VAL 11 1HG1 VAL 11 -4.079 -4.342 -3.811 71 HG12 VAL 11 2HG1 VAL 11 -3.656 -3.930 -2.149 72 HG13 VAL 11 3HG1 VAL 11 -3.821 -5.620 -2.625 73 HG21 VAL 11 1HG2 VAL 11 -2.090 -6.466 -4.494 74 HG22 VAL 11 2HG2 VAL 11 -1.837 -6.743 -2.770 75 HG23 VAL 11 3HG2 VAL 11 -0.518 -6.130 -3.768 76 H LEU 12 H LEU 12 -3.294 -2.203 -3.249 77 HA LEU 12 HA LEU 12 -1.720 0.187 -3.524 78 HB2 LEU 12 2HB LEU 12 -4.024 -0.078 -1.632 79 HB3 LEU 12 1HB LEU 12 -3.506 1.323 -2.549 80 HG LEU 12 HG LEU 12 -4.233 -0.649 -4.441 81 HD11 LEU 12 1HD1 LEU 12 -6.600 -0.204 -2.703 82 HD12 LEU 12 2HD1 LEU 12 -5.466 -1.481 -2.261 83 HD13 LEU 12 3HD1 LEU 12 -6.255 -1.510 -3.838 84 HD21 LEU 12 1HD2 LEU 12 -4.639 1.457 -5.169 85 HD22 LEU 12 2HD2 LEU 12 -5.128 2.033 -3.576 86 HD23 LEU 12 3HD2 LEU 12 -6.253 1.095 -4.560 87 H ALA 13 H ALA 13 -0.539 1.246 -1.955 88 HA ALA 13 HA ALA 13 -0.218 -0.141 0.621 89 HB1 ALA 13 1HB ALA 13 2.187 1.147 -0.511 90 HB2 ALA 13 2HB ALA 13 1.652 -0.346 -1.287 91 HB3 ALA 13 3HB ALA 13 2.027 -0.332 0.436 92 H GLN 14 H GLN 14 0.797 1.222 2.298 93 HA GLN 14 HA GLN 14 -0.029 4.032 1.987 94 HB2 GLN 14 2HB GLN 14 -0.117 3.962 4.545 95 HB3 GLN 14 1HB GLN 14 -1.377 3.103 3.672 96 HG2 GLN 14 2HG GLN 14 -0.529 1.025 4.222 97 HG3 GLN 14 1HG GLN 14 1.082 1.661 4.557 98 HE21 GLN 14 1HE2 GLN 14 -2.145 1.230 5.774 99 HE22 GLN 14 2HE2 GLN 14 -1.788 1.591 7.425 100 H LEU 15 H LEU 15 1.518 5.517 2.007 101 HA LEU 15 HA LEU 15 4.225 4.750 2.747 102 HB2 LEU 15 2HB LEU 15 4.930 6.772 1.681 103 HB3 LEU 15 1HB LEU 15 3.767 5.976 0.639 104 HG LEU 15 HG LEU 15 2.139 7.653 2.032 105 HD11 LEU 15 1HD1 LEU 15 3.115 9.569 2.696 106 HD12 LEU 15 2HD1 LEU 15 4.318 9.529 1.407 107 HD13 LEU 15 3HD1 LEU 15 4.543 8.546 2.854 108 HD21 LEU 15 1HD2 LEU 15 2.734 9.212 -0.070 109 HD22 LEU 15 2HD2 LEU 15 1.760 7.746 -0.194 110 HD23 LEU 15 3HD2 LEU 15 3.477 7.702 -0.599 111 HA PRO 16 HA PRO 16 4.069 6.809 6.645 112 HB2 PRO 16 2HB PRO 16 6.672 6.918 7.219 113 HB3 PRO 16 1HB PRO 16 5.831 5.367 7.093 114 HG2 PRO 16 2HG PRO 16 7.590 6.735 5.095 115 HG3 PRO 16 1HG PRO 16 7.544 5.024 5.559 116 HD2 PRO 16 2HD PRO 16 6.317 6.059 3.322 117 HD3 PRO 16 1HD PRO 16 5.813 4.567 4.138 118 H GLY 17 H GLY 17 4.541 8.792 7.707 119 HA2 GLY 17 2HA GLY 17 4.499 11.073 6.083 120 HA3 GLY 17 1HA GLY 17 4.818 11.068 7.810 Start of MODEL 8 1 H1 GLY 1 H GLY 1 1.475 -2.496 0.596 2 HA2 GLY 1 2HA GLY 1 0.852 -4.999 1.881 3 HA3 GLY 1 1HA GLY 1 1.640 -3.816 2.910 4 HA PRO 2 HA PRO 2 -2.612 -2.809 4.026 5 HB2 PRO 2 2HB PRO 2 -1.125 -0.384 4.950 6 HB3 PRO 2 1HB PRO 2 -2.368 -1.325 5.783 7 HG2 PRO 2 2HG PRO 2 0.197 -1.615 6.423 8 HG3 PRO 2 1HG PRO 2 -0.888 -3.016 6.362 9 HD2 PRO 2 2HD PRO 2 1.241 -2.184 4.458 10 HD3 PRO 2 1HD PRO 2 0.669 -3.812 4.875 11 HA PRO 3 HA PRO 3 -3.355 -0.514 0.182 12 HB2 PRO 3 2HB PRO 3 -6.045 -0.440 1.478 13 HB3 PRO 3 1HB PRO 3 -5.611 -0.841 -0.188 14 HG2 PRO 3 2HG PRO 3 -6.244 -2.761 1.537 15 HG3 PRO 3 1HG PRO 3 -4.931 -2.990 0.368 16 HD2 PRO 3 2HD PRO 3 -4.789 -2.443 3.295 17 HD3 PRO 3 1HD PRO 3 -3.719 -3.426 2.275 18 H GLY 4 H GLY 4 -2.546 1.502 0.241 19 HA2 GLY 4 2HA GLY 4 -3.969 3.481 1.902 20 HA3 GLY 4 1HA GLY 4 -2.212 3.445 1.867 21 H ASP 5 H ASP 5 -1.408 5.018 0.667 22 HA ASP 5 HA ASP 5 -2.940 5.947 -1.662 23 HB2 ASP 5 2HB ASP 5 -1.339 7.288 0.377 24 HB3 ASP 5 1HB ASP 5 -0.895 7.775 -1.257 25 H ARG 6 H ARG 6 0.013 4.436 -0.694 26 HA ARG 6 HA ARG 6 1.290 4.903 -3.268 27 HB2 ARG 6 2HB ARG 6 2.155 4.090 -0.607 28 HB3 ARG 6 1HB ARG 6 2.850 3.078 -1.867 29 HG2 ARG 6 2HG ARG 6 3.561 5.204 -3.019 30 HG3 ARG 6 1HG ARG 6 3.093 6.054 -1.545 31 HD2 ARG 6 2HD ARG 6 5.401 5.662 -1.325 32 HD3 ARG 6 1HD ARG 6 4.625 4.446 -0.312 33 HE ARG 6 HE ARG 6 5.417 2.808 -1.713 34 HH11 ARG 6 1HH1 ARG 6 5.835 5.922 -3.235 35 HH12 ARG 6 2HH1 ARG 6 6.811 5.301 -4.523 36 HH21 ARG 6 1HH2 ARG 6 6.701 1.991 -3.406 37 HH22 ARG 6 2HH2 ARG 6 7.304 3.069 -4.620 38 H ILE 7 H ILE 7 2.607 2.600 -3.792 39 HA ILE 7 HA ILE 7 0.459 0.620 -4.161 40 HB ILE 7 HB ILE 7 1.455 2.049 -6.198 41 HG12 ILE 7 2HG1 ILE 7 0.733 -0.885 -6.338 42 HG13 ILE 7 1HG1 ILE 7 -0.413 0.450 -6.285 43 HG21 ILE 7 1HG2 ILE 7 3.130 -0.442 -6.330 44 HG22 ILE 7 2HG2 ILE 7 3.751 1.095 -5.731 45 HG23 ILE 7 3HG2 ILE 7 3.174 0.964 -7.392 46 HD11 ILE 7 1HD1 ILE 7 1.128 1.137 -8.416 47 HD12 ILE 7 2HD1 ILE 7 -0.400 0.261 -8.508 48 HD13 ILE 7 3HD1 ILE 7 1.127 -0.623 -8.521 49 H GLU 8 H GLU 8 1.109 -1.583 -4.319 50 HA GLU 8 HA GLU 8 3.743 -2.148 -3.131 51 HB2 GLU 8 2HB GLU 8 1.325 -2.550 -1.895 52 HB3 GLU 8 1HB GLU 8 1.632 -4.125 -2.614 53 HG2 GLU 8 2HG GLU 8 3.802 -4.215 -1.501 54 HG3 GLU 8 1HG GLU 8 3.498 -2.633 -0.783 55 H PHE 9 H PHE 9 3.230 -5.032 -3.296 56 HA PHE 9 HA PHE 9 4.212 -5.468 -5.928 57 HB2 PHE 9 2HB PHE 9 3.235 -7.524 -3.937 58 HB3 PHE 9 1HB PHE 9 4.290 -7.813 -5.316 59 HD1 PHE 9 1HD PHE 9 6.622 -7.316 -5.219 60 HD2 PHE 9 2HD PHE 9 4.063 -6.323 -1.968 61 HE1 PHE 9 1HE PHE 9 8.590 -6.909 -3.800 62 HE2 PHE 9 2HE PHE 9 6.026 -5.913 -0.542 63 HZ PHE 9 HZ PHE 9 8.293 -6.205 -1.458 64 H GLY 10 H GLY 10 1.984 -4.246 -6.529 65 HA2 GLY 10 2HA GLY 10 0.417 -4.716 -8.254 66 HA3 GLY 10 1HA GLY 10 0.313 -6.369 -7.670 67 H VAL 11 H VAL 11 0.190 -3.838 -5.327 68 HA VAL 11 HA VAL 11 -2.715 -3.711 -5.335 69 HB VAL 11 HB VAL 11 -1.549 -4.433 -2.696 70 HG11 VAL 11 1HG1 VAL 11 -4.142 -4.223 -3.943 71 HG12 VAL 11 2HG1 VAL 11 -3.720 -4.313 -2.233 72 HG13 VAL 11 3HG1 VAL 11 -3.934 -5.794 -3.168 73 HG21 VAL 11 1HG2 VAL 11 -1.947 -6.858 -3.186 74 HG22 VAL 11 2HG2 VAL 11 -0.548 -6.161 -4.004 75 HG23 VAL 11 3HG2 VAL 11 -2.046 -6.433 -4.896 76 H LEU 12 H LEU 12 -3.442 -2.332 -3.359 77 HA LEU 12 HA LEU 12 -2.047 0.152 -3.540 78 HB2 LEU 12 2HB LEU 12 -4.246 -0.601 -1.614 79 HB3 LEU 12 1HB LEU 12 -3.762 1.019 -2.077 80 HG LEU 12 HG LEU 12 -4.786 -0.904 -4.138 81 HD11 LEU 12 1HD1 LEU 12 -7.023 -0.258 -3.755 82 HD12 LEU 12 2HD1 LEU 12 -6.547 0.970 -2.582 83 HD13 LEU 12 3HD1 LEU 12 -6.381 -0.741 -2.185 84 HD21 LEU 12 1HD2 LEU 12 -3.682 1.522 -4.411 85 HD22 LEU 12 2HD2 LEU 12 -5.364 1.994 -4.163 86 HD23 LEU 12 3HD2 LEU 12 -4.939 0.907 -5.486 87 H ALA 13 H ALA 13 -0.955 1.287 -1.904 88 HA ALA 13 HA ALA 13 -0.262 -0.222 0.513 89 HB1 ALA 13 1HB ALA 13 1.948 1.245 -0.811 90 HB2 ALA 13 2HB ALA 13 1.454 -0.294 -1.515 91 HB3 ALA 13 3HB ALA 13 1.986 -0.223 0.165 92 H GLN 14 H GLN 14 1.000 1.199 2.073 93 HA GLN 14 HA GLN 14 -0.279 3.841 2.123 94 HB2 GLN 14 2HB GLN 14 0.889 2.119 4.309 95 HB3 GLN 14 1HB GLN 14 0.383 3.784 4.567 96 HG2 GLN 14 2HG GLN 14 -1.634 2.092 3.290 97 HG3 GLN 14 1HG GLN 14 -1.187 1.599 4.923 98 HE21 GLN 14 1HE2 GLN 14 -1.730 2.879 6.645 99 HE22 GLN 14 2HE2 GLN 14 -2.778 4.247 6.515 100 H LEU 15 H LEU 15 1.032 5.580 3.241 101 HA LEU 15 HA LEU 15 3.910 5.361 2.867 102 HB2 LEU 15 2HB LEU 15 4.107 7.226 1.394 103 HB3 LEU 15 1HB LEU 15 2.973 6.097 0.677 104 HG LEU 15 HG LEU 15 1.238 7.697 1.970 105 HD11 LEU 15 1HD1 LEU 15 3.657 9.373 1.366 106 HD12 LEU 15 2HD1 LEU 15 2.763 9.245 2.880 107 HD13 LEU 15 3HD1 LEU 15 2.034 10.051 1.491 108 HD21 LEU 15 1HD2 LEU 15 0.794 7.325 -0.251 109 HD22 LEU 15 2HD2 LEU 15 2.419 7.777 -0.765 110 HD23 LEU 15 3HD2 LEU 15 1.266 9.025 -0.291 111 HA PRO 16 HA PRO 16 3.811 8.035 6.372 112 HB2 PRO 16 2HB PRO 16 6.386 8.718 6.517 113 HB3 PRO 16 1HB PRO 16 5.871 7.045 6.762 114 HG2 PRO 16 2HG PRO 16 7.057 8.322 4.330 115 HG3 PRO 16 1HG PRO 16 7.423 6.746 5.056 116 HD2 PRO 16 2HD PRO 16 5.750 7.107 2.902 117 HD3 PRO 16 1HD PRO 16 5.662 5.727 4.014 118 H GLY 17 H GLY 17 2.453 9.633 5.184 119 HA2 GLY 17 2HA GLY 17 2.010 11.834 4.695 120 HA3 GLY 17 1HA GLY 17 3.612 12.214 5.308 Start of MODEL 9 1 H1 GLY 1 H GLY 1 1.025 -2.571 0.606 2 HA2 GLY 1 2HA GLY 1 0.120 -5.126 1.482 3 HA3 GLY 1 1HA GLY 1 1.097 -4.350 2.717 4 HA PRO 2 HA PRO 2 -2.581 -2.494 4.336 5 HB2 PRO 2 2HB PRO 2 -0.800 -0.155 4.832 6 HB3 PRO 2 1HB PRO 2 -1.877 -1.006 5.946 7 HG2 PRO 2 2HG PRO 2 0.754 -1.380 6.057 8 HG3 PRO 2 1HG PRO 2 -0.367 -2.734 6.292 9 HD2 PRO 2 2HD PRO 2 1.303 -2.044 3.918 10 HD3 PRO 2 1HD PRO 2 0.868 -3.638 4.569 11 HA PRO 3 HA PRO 3 -3.692 -0.339 0.484 12 HB2 PRO 3 2HB PRO 3 -6.199 -0.085 2.083 13 HB3 PRO 3 1HB PRO 3 -5.983 -0.584 0.401 14 HG2 PRO 3 2HG PRO 3 -6.491 -2.386 2.291 15 HG3 PRO 3 1HG PRO 3 -5.346 -2.739 0.983 16 HD2 PRO 3 2HD PRO 3 -4.815 -2.061 3.838 17 HD3 PRO 3 1HD PRO 3 -3.931 -3.152 2.752 18 H GLY 4 H GLY 4 -2.690 1.609 0.456 19 HA2 GLY 4 2HA GLY 4 -3.895 3.734 2.108 20 HA3 GLY 4 1HA GLY 4 -2.148 3.576 2.002 21 H ASP 5 H ASP 5 -1.580 5.402 0.950 22 HA ASP 5 HA ASP 5 -2.992 6.068 -1.536 23 HB2 ASP 5 2HB ASP 5 -2.357 7.705 0.517 24 HB3 ASP 5 1HB ASP 5 -0.926 7.913 -0.489 25 H ARG 6 H ARG 6 -0.647 4.075 -0.890 26 HA ARG 6 HA ARG 6 1.011 4.916 -3.174 27 HB2 ARG 6 2HB ARG 6 1.895 4.618 -0.579 28 HB3 ARG 6 1HB ARG 6 2.291 3.063 -1.297 29 HG2 ARG 6 2HG ARG 6 3.423 4.338 -3.152 30 HG3 ARG 6 1HG ARG 6 3.216 5.787 -2.166 31 HD2 ARG 6 2HD ARG 6 5.283 5.177 -1.448 32 HD3 ARG 6 1HD ARG 6 4.318 4.219 -0.327 33 HE ARG 6 HE ARG 6 4.856 2.752 -2.688 34 HH11 ARG 6 1HH1 ARG 6 6.359 3.870 0.255 35 HH12 ARG 6 2HH1 ARG 6 7.511 2.578 0.306 36 HH21 ARG 6 1HH2 ARG 6 6.372 1.051 -2.624 37 HH22 ARG 6 2HH2 ARG 6 7.519 0.978 -1.328 38 H ILE 7 H ILE 7 2.418 2.703 -3.713 39 HA ILE 7 HA ILE 7 0.369 0.630 -4.127 40 HB ILE 7 HB ILE 7 1.363 2.082 -6.136 41 HG12 ILE 7 2HG1 ILE 7 1.043 -0.851 -6.641 42 HG13 ILE 7 1HG1 ILE 7 -0.315 0.069 -6.000 43 HG21 ILE 7 1HG2 ILE 7 3.690 1.222 -5.550 44 HG22 ILE 7 2HG2 ILE 7 3.197 1.133 -7.241 45 HG23 ILE 7 3HG2 ILE 7 3.164 -0.316 -6.236 46 HD11 ILE 7 1HD1 ILE 7 0.707 -0.079 -8.687 47 HD12 ILE 7 2HD1 ILE 7 0.624 1.591 -8.123 48 HD13 ILE 7 3HD1 ILE 7 -0.820 0.577 -8.094 49 H GLU 8 H GLU 8 1.115 -1.549 -4.293 50 HA GLU 8 HA GLU 8 3.684 -2.023 -2.931 51 HB2 GLU 8 2HB GLU 8 1.124 -2.654 -2.018 52 HB3 GLU 8 1HB GLU 8 1.750 -4.176 -2.634 53 HG2 GLU 8 2HG GLU 8 3.741 -3.908 -1.217 54 HG3 GLU 8 1HG GLU 8 3.056 -2.417 -0.572 55 H PHE 9 H PHE 9 3.432 -4.906 -3.232 56 HA PHE 9 HA PHE 9 4.533 -5.153 -5.858 57 HB2 PHE 9 2HB PHE 9 3.755 -7.483 -4.121 58 HB3 PHE 9 1HB PHE 9 5.082 -7.362 -5.270 59 HD1 PHE 9 1HD PHE 9 7.069 -5.961 -4.698 60 HD2 PHE 9 2HD PHE 9 4.031 -6.880 -1.864 61 HE1 PHE 9 1HE PHE 9 8.599 -5.359 -2.869 62 HE2 PHE 9 2HE PHE 9 5.556 -6.278 -0.028 63 HZ PHE 9 HZ PHE 9 7.844 -5.517 -0.530 64 H GLY 10 H GLY 10 2.190 -4.186 -6.464 65 HA2 GLY 10 2HA GLY 10 0.735 -4.856 -8.245 66 HA3 GLY 10 1HA GLY 10 0.734 -6.483 -7.582 67 H VAL 11 H VAL 11 0.398 -3.869 -5.359 68 HA VAL 11 HA VAL 11 -2.505 -3.929 -5.416 69 HB VAL 11 HB VAL 11 -1.789 -4.302 -2.671 70 HG11 VAL 11 1HG1 VAL 11 -3.892 -4.846 -4.274 71 HG12 VAL 11 2HG1 VAL 11 -3.675 -5.525 -2.661 72 HG13 VAL 11 3HG1 VAL 11 -3.203 -6.457 -4.082 73 HG21 VAL 11 1HG2 VAL 11 -0.865 -6.493 -2.629 74 HG22 VAL 11 2HG2 VAL 11 0.170 -5.518 -3.674 75 HG23 VAL 11 3HG2 VAL 11 -0.986 -6.646 -4.383 76 H LEU 12 H LEU 12 -3.327 -2.571 -3.441 77 HA LEU 12 HA LEU 12 -1.978 -0.018 -3.653 78 HB2 LEU 12 2HB LEU 12 -4.364 -0.493 -1.912 79 HB3 LEU 12 1HB LEU 12 -3.911 0.950 -2.799 80 HG LEU 12 HG LEU 12 -4.334 -0.883 -4.813 81 HD11 LEU 12 1HD1 LEU 12 -5.308 -2.577 -3.540 82 HD12 LEU 12 2HD1 LEU 12 -6.686 -1.693 -4.196 83 HD13 LEU 12 3HD1 LEU 12 -6.189 -1.435 -2.524 84 HD21 LEU 12 1HD2 LEU 12 -5.204 1.159 -5.268 85 HD22 LEU 12 2HD2 LEU 12 -5.809 1.391 -3.628 86 HD23 LEU 12 3HD2 LEU 12 -6.695 0.366 -4.758 87 H ALA 13 H ALA 13 -0.633 0.824 -2.200 88 HA ALA 13 HA ALA 13 -0.564 -0.370 0.494 89 HB1 ALA 13 1HB ALA 13 1.817 -0.166 0.541 90 HB2 ALA 13 2HB ALA 13 1.828 0.688 -1.002 91 HB3 ALA 13 3HB ALA 13 1.373 -1.015 -0.940 92 H GLN 14 H GLN 14 1.055 1.240 1.835 93 HA GLN 14 HA GLN 14 -0.230 3.883 1.628 94 HB2 GLN 14 2HB GLN 14 0.174 4.097 4.054 95 HB3 GLN 14 1HB GLN 14 -0.849 2.722 3.666 96 HG2 GLN 14 2HG GLN 14 0.577 1.277 4.566 97 HG3 GLN 14 1HG GLN 14 1.959 2.009 3.751 98 HE21 GLN 14 1HE2 GLN 14 -0.289 3.497 6.023 99 HE22 GLN 14 2HE2 GLN 14 0.887 3.848 7.238 100 H LEU 15 H LEU 15 1.159 5.612 2.815 101 HA LEU 15 HA LEU 15 3.729 5.641 1.469 102 HB2 LEU 15 2HB LEU 15 3.826 7.989 2.386 103 HB3 LEU 15 1HB LEU 15 2.520 7.655 1.265 104 HG LEU 15 HG LEU 15 1.865 7.316 4.128 105 HD11 LEU 15 1HD1 LEU 15 3.355 9.492 3.633 106 HD12 LEU 15 2HD1 LEU 15 2.040 9.460 4.809 107 HD13 LEU 15 3HD1 LEU 15 1.764 10.113 3.194 108 HD21 LEU 15 1HD2 LEU 15 0.292 9.001 2.280 109 HD22 LEU 15 2HD2 LEU 15 -0.237 7.770 3.427 110 HD23 LEU 15 3HD2 LEU 15 0.430 7.292 1.866 111 HA PRO 16 HA PRO 16 6.099 4.691 5.057 112 HB2 PRO 16 2HB PRO 16 8.500 5.577 4.306 113 HB3 PRO 16 1HB PRO 16 7.714 4.244 3.452 114 HG2 PRO 16 2HG PRO 16 7.898 7.132 2.689 115 HG3 PRO 16 1HG PRO 16 8.100 5.692 1.674 116 HD2 PRO 16 2HD PRO 16 5.782 7.169 1.829 117 HD3 PRO 16 1HD PRO 16 5.849 5.461 1.355 118 H GLY 17 H GLY 17 5.080 6.085 6.596 119 HA2 GLY 17 2HA GLY 17 5.842 8.840 6.831 120 HA3 GLY 17 1HA GLY 17 4.900 7.916 7.992 Start of MODEL 10 1 H1 GLY 1 H GLY 1 2.302 -2.098 0.983 2 HA2 GLY 1 2HA GLY 1 1.997 -3.846 3.061 3 HA3 GLY 1 1HA GLY 1 2.277 -2.112 3.029 4 HA PRO 2 HA PRO 2 -2.310 -3.007 3.663 5 HB2 PRO 2 2HB PRO 2 -1.857 -0.394 5.034 6 HB3 PRO 2 1HB PRO 2 -2.858 -1.765 5.528 7 HG2 PRO 2 2HG PRO 2 -0.504 -1.326 6.686 8 HG3 PRO 2 1HG PRO 2 -1.042 -2.976 6.318 9 HD2 PRO 2 2HD PRO 2 0.990 -1.289 4.933 10 HD3 PRO 2 1HD PRO 2 0.958 -3.047 5.180 11 HA PRO 3 HA PRO 3 -3.470 -0.570 0.140 12 HB2 PRO 3 2HB PRO 3 -6.133 -0.446 1.457 13 HB3 PRO 3 1HB PRO 3 -5.705 -0.989 -0.169 14 HG2 PRO 3 2HG PRO 3 -6.336 -2.746 1.728 15 HG3 PRO 3 1HG PRO 3 -5.043 -3.087 0.562 16 HD2 PRO 3 2HD PRO 3 -4.845 -2.241 3.422 17 HD3 PRO 3 1HD PRO 3 -3.837 -3.383 2.509 18 H GLY 4 H GLY 4 -2.630 1.441 0.166 19 HA2 GLY 4 2HA GLY 4 -4.109 3.481 1.688 20 HA3 GLY 4 1HA GLY 4 -2.358 3.418 1.804 21 H ASP 5 H ASP 5 -1.515 5.047 0.693 22 HA ASP 5 HA ASP 5 -2.794 5.877 -1.813 23 HB2 ASP 5 2HB ASP 5 -0.731 7.302 -0.121 24 HB3 ASP 5 1HB ASP 5 -1.476 7.946 -1.581 25 H ARG 6 H ARG 6 -0.057 4.228 -0.610 26 HA ARG 6 HA ARG 6 1.565 4.733 -2.970 27 HB2 ARG 6 2HB ARG 6 2.195 4.199 -0.352 28 HB3 ARG 6 1HB ARG 6 2.438 2.632 -1.110 29 HG2 ARG 6 2HG ARG 6 4.481 4.023 -1.001 30 HG3 ARG 6 1HG ARG 6 4.036 3.545 -2.639 31 HD2 ARG 6 2HD ARG 6 2.772 6.032 -1.993 32 HD3 ARG 6 1HD ARG 6 4.497 6.143 -1.646 33 HE ARG 6 HE ARG 6 3.883 4.995 -4.214 34 HH11 ARG 6 1HH1 ARG 6 4.472 7.951 -2.453 35 HH12 ARG 6 2HH1 ARG 6 4.966 8.835 -3.857 36 HH21 ARG 6 1HH2 ARG 6 4.532 6.158 -6.062 37 HH22 ARG 6 2HH2 ARG 6 5.000 7.819 -5.906 38 H ILE 7 H ILE 7 2.750 2.412 -3.574 39 HA ILE 7 HA ILE 7 0.547 0.568 -4.203 40 HB ILE 7 HB ILE 7 1.714 2.134 -6.076 41 HG12 ILE 7 2HG1 ILE 7 0.728 -0.689 -6.528 42 HG13 ILE 7 1HG1 ILE 7 -0.303 0.721 -6.310 43 HG21 ILE 7 1HG2 ILE 7 3.162 -0.494 -6.324 44 HG22 ILE 7 2HG2 ILE 7 3.901 0.990 -5.724 45 HG23 ILE 7 3HG2 ILE 7 3.301 0.912 -7.380 46 HD11 ILE 7 1HD1 ILE 7 1.626 0.250 -8.569 47 HD12 ILE 7 2HD1 ILE 7 0.660 1.708 -8.342 48 HD13 ILE 7 3HD1 ILE 7 -0.133 0.163 -8.646 49 H GLU 8 H GLU 8 0.885 -1.509 -3.767 50 HA GLU 8 HA GLU 8 3.510 -2.305 -2.758 51 HB2 GLU 8 2HB GLU 8 1.048 -2.716 -1.709 52 HB3 GLU 8 1HB GLU 8 1.237 -4.199 -2.634 53 HG2 GLU 8 2HG GLU 8 2.841 -5.009 -1.274 54 HG3 GLU 8 1HG GLU 8 3.534 -3.419 -0.964 55 H PHE 9 H PHE 9 2.952 -5.150 -3.225 56 HA PHE 9 HA PHE 9 4.125 -5.357 -5.822 57 HB2 PHE 9 2HB PHE 9 3.057 -7.635 -4.156 58 HB3 PHE 9 1HB PHE 9 4.322 -7.691 -5.379 59 HD1 PHE 9 1HD PHE 9 6.005 -5.418 -4.629 60 HD2 PHE 9 2HD PHE 9 4.063 -8.316 -2.191 61 HE1 PHE 9 1HE PHE 9 7.708 -5.086 -2.885 62 HE2 PHE 9 2HE PHE 9 5.763 -7.988 -0.441 63 HZ PHE 9 HZ PHE 9 7.589 -6.371 -0.788 64 H GLY 10 H GLY 10 1.910 -4.124 -6.453 65 HA2 GLY 10 2HA GLY 10 0.477 -4.541 -8.326 66 HA3 GLY 10 1HA GLY 10 0.305 -6.202 -7.778 67 H VAL 11 H VAL 11 0.091 -3.754 -5.372 68 HA VAL 11 HA VAL 11 -2.801 -3.522 -5.568 69 HB VAL 11 HB VAL 11 -1.835 -4.372 -2.887 70 HG11 VAL 11 1HG1 VAL 11 -4.049 -3.946 -2.722 71 HG12 VAL 11 2HG1 VAL 11 -4.173 -5.616 -3.271 72 HG13 VAL 11 3HG1 VAL 11 -4.356 -4.294 -4.423 73 HG21 VAL 11 1HG2 VAL 11 -2.228 -6.757 -3.451 74 HG22 VAL 11 2HG2 VAL 11 -0.810 -6.076 -4.247 75 HG23 VAL 11 3HG2 VAL 11 -2.305 -6.306 -5.154 76 H LEU 12 H LEU 12 -3.604 -2.194 -3.584 77 HA LEU 12 HA LEU 12 -2.153 0.252 -3.595 78 HB2 LEU 12 2HB LEU 12 -4.317 -0.374 -1.619 79 HB3 LEU 12 1HB LEU 12 -3.935 1.155 -2.386 80 HG LEU 12 HG LEU 12 -4.638 -0.539 -4.495 81 HD11 LEU 12 1HD1 LEU 12 -5.553 -2.096 -2.803 82 HD12 LEU 12 2HD1 LEU 12 -6.778 -1.454 -3.897 83 HD13 LEU 12 3HD1 LEU 12 -6.638 -0.815 -2.259 84 HD21 LEU 12 1HD2 LEU 12 -6.851 0.920 -4.183 85 HD22 LEU 12 2HD2 LEU 12 -5.339 1.598 -4.789 86 HD23 LEU 12 3HD2 LEU 12 -5.783 1.804 -3.095 87 H ALA 13 H ALA 13 -0.943 1.220 -1.991 88 HA ALA 13 HA ALA 13 -0.379 -0.386 0.407 89 HB1 ALA 13 1HB ALA 13 2.038 0.568 0.086 90 HB2 ALA 13 2HB ALA 13 1.549 0.669 -1.605 91 HB3 ALA 13 3HB ALA 13 1.526 -0.885 -0.771 92 H GLN 14 H GLN 14 0.847 0.925 2.075 93 HA GLN 14 HA GLN 14 -0.433 3.549 2.284 94 HB2 GLN 14 2HB GLN 14 0.605 1.557 4.242 95 HB3 GLN 14 1HB GLN 14 0.611 3.252 4.710 96 HG2 GLN 14 2HG GLN 14 -1.832 3.304 4.089 97 HG3 GLN 14 1HG GLN 14 -1.745 1.547 3.967 98 HE21 GLN 14 1HE2 GLN 14 -0.589 4.032 6.228 99 HE22 GLN 14 2HE2 GLN 14 -1.173 3.250 7.654 100 H LEU 15 H LEU 15 0.702 5.426 2.735 101 HA LEU 15 HA LEU 15 3.563 5.317 2.078 102 HB2 LEU 15 2HB LEU 15 3.203 7.849 1.791 103 HB3 LEU 15 1HB LEU 15 2.562 6.767 0.569 104 HG LEU 15 HG LEU 15 0.325 6.980 1.503 105 HD11 LEU 15 1HD1 LEU 15 0.520 7.258 3.781 106 HD12 LEU 15 2HD1 LEU 15 0.088 8.885 3.256 107 HD13 LEU 15 3HD1 LEU 15 1.768 8.495 3.631 108 HD21 LEU 15 1HD2 LEU 15 1.561 9.708 1.172 109 HD22 LEU 15 2HD2 LEU 15 -0.114 9.244 0.864 110 HD23 LEU 15 3HD2 LEU 15 1.177 8.624 -0.165 111 HA PRO 16 HA PRO 16 4.610 6.628 6.150 112 HB2 PRO 16 2HB PRO 16 7.076 7.558 5.759 113 HB3 PRO 16 1HB PRO 16 6.694 5.855 5.479 114 HG2 PRO 16 2HG PRO 16 6.996 8.078 3.498 115 HG3 PRO 16 1HG PRO 16 7.592 6.411 3.409 116 HD2 PRO 16 2HD PRO 16 5.288 7.314 2.188 117 HD3 PRO 16 1HD PRO 16 5.601 5.621 2.617 118 H GLY 17 H GLY 17 5.151 8.483 7.481 119 HA2 GLY 17 2HA GLY 17 4.610 11.068 6.157 120 HA3 GLY 17 1HA GLY 17 3.834 10.625 7.671 Start of MODEL 11 1 H1 GLY 1 H GLY 1 1.536 -2.056 0.505 2 HA2 GLY 1 2HA GLY 1 1.523 -4.242 2.326 3 HA3 GLY 1 1HA GLY 1 1.784 -2.627 2.964 4 HA PRO 2 HA PRO 2 -2.774 -3.341 3.236 5 HB2 PRO 2 2HB PRO 2 -2.330 -0.884 4.873 6 HB3 PRO 2 1HB PRO 2 -3.334 -2.299 5.215 7 HG2 PRO 2 2HG PRO 2 -0.992 -1.980 6.433 8 HG3 PRO 2 1HG PRO 2 -1.526 -3.583 5.894 9 HD2 PRO 2 2HD PRO 2 0.514 -1.762 4.703 10 HD3 PRO 2 1HD PRO 2 0.488 -3.536 4.777 11 HA PRO 3 HA PRO 3 -4.117 -0.591 0.058 12 HB2 PRO 3 2HB PRO 3 -6.526 -0.178 1.766 13 HB3 PRO 3 1HB PRO 3 -6.420 -0.642 0.064 14 HG2 PRO 3 2HG PRO 3 -7.012 -2.450 1.923 15 HG3 PRO 3 1HG PRO 3 -5.955 -2.860 0.560 16 HD2 PRO 3 2HD PRO 3 -5.253 -2.310 3.407 17 HD3 PRO 3 1HD PRO 3 -4.520 -3.452 2.262 18 H GLY 4 H GLY 4 -2.734 1.163 0.270 19 HA2 GLY 4 2HA GLY 4 -3.678 3.320 2.058 20 HA3 GLY 4 1HA GLY 4 -1.987 3.055 1.670 21 H ASP 5 H ASP 5 -1.405 4.851 0.607 22 HA ASP 5 HA ASP 5 -3.118 5.778 -1.597 23 HB2 ASP 5 2HB ASP 5 -2.075 7.231 0.458 24 HB3 ASP 5 1HB ASP 5 -0.842 7.468 -0.778 25 H ARG 6 H ARG 6 -0.007 4.465 -0.817 26 HA ARG 6 HA ARG 6 1.082 5.046 -3.452 27 HB2 ARG 6 2HB ARG 6 2.176 4.517 -0.882 28 HB3 ARG 6 1HB ARG 6 2.727 3.240 -1.957 29 HG2 ARG 6 2HG ARG 6 3.564 4.942 -3.520 30 HG3 ARG 6 1HG ARG 6 3.052 6.202 -2.394 31 HD2 ARG 6 2HD ARG 6 5.184 6.022 -1.670 32 HD3 ARG 6 1HD ARG 6 4.520 4.682 -0.738 33 HE ARG 6 HE ARG 6 5.260 3.517 -3.067 34 HH11 ARG 6 1HH1 ARG 6 6.926 5.551 -0.771 35 HH12 ARG 6 2HH1 ARG 6 8.478 4.851 -1.088 36 HH21 ARG 6 1HH2 ARG 6 7.301 2.596 -3.485 37 HH22 ARG 6 2HH2 ARG 6 8.690 3.174 -2.629 38 H ILE 7 H ILE 7 2.590 2.727 -3.878 39 HA ILE 7 HA ILE 7 0.500 0.693 -4.287 40 HB ILE 7 HB ILE 7 1.589 2.126 -6.321 41 HG12 ILE 7 2HG1 ILE 7 0.997 -0.120 -7.654 42 HG13 ILE 7 1HG1 ILE 7 0.310 -0.546 -6.090 43 HG21 ILE 7 1HG2 ILE 7 3.140 -0.455 -6.333 44 HG22 ILE 7 2HG2 ILE 7 3.824 1.097 -5.849 45 HG23 ILE 7 3HG2 ILE 7 3.234 0.868 -7.495 46 HD11 ILE 7 1HD1 ILE 7 -1.413 0.851 -6.338 47 HD12 ILE 7 2HD1 ILE 7 -0.983 0.814 -8.048 48 HD13 ILE 7 3HD1 ILE 7 -0.408 2.128 -7.023 49 H GLU 8 H GLU 8 1.241 -1.497 -4.461 50 HA GLU 8 HA GLU 8 3.874 -1.995 -3.253 51 HB2 GLU 8 2HB GLU 8 1.477 -2.338 -1.927 52 HB3 GLU 8 1HB GLU 8 1.817 -3.953 -2.536 53 HG2 GLU 8 2HG GLU 8 3.970 -3.950 -1.443 54 HG3 GLU 8 1HG GLU 8 3.725 -2.289 -0.910 55 H PHE 9 H PHE 9 3.388 -4.881 -3.246 56 HA PHE 9 HA PHE 9 4.221 -5.434 -5.912 57 HB2 PHE 9 2HB PHE 9 4.297 -7.785 -5.185 58 HB3 PHE 9 1HB PHE 9 5.100 -6.723 -4.034 59 HD1 PHE 9 1HD PHE 9 2.411 -9.078 -4.569 60 HD2 PHE 9 2HD PHE 9 3.996 -6.184 -1.880 61 HE1 PHE 9 1HE PHE 9 1.031 -10.009 -2.758 62 HE2 PHE 9 2HE PHE 9 2.616 -7.110 -0.066 63 HZ PHE 9 HZ PHE 9 1.133 -9.025 -0.504 64 H GLY 10 H GLY 10 1.921 -4.272 -6.407 65 HA2 GLY 10 2HA GLY 10 0.287 -4.890 -8.037 66 HA3 GLY 10 1HA GLY 10 0.215 -6.487 -7.310 67 H VAL 11 H VAL 11 0.227 -3.795 -5.159 68 HA VAL 11 HA VAL 11 -2.673 -3.626 -5.033 69 HB VAL 11 HB VAL 11 -1.385 -4.177 -2.411 70 HG11 VAL 11 1HG1 VAL 11 -3.716 -5.488 -2.390 71 HG12 VAL 11 2HG1 VAL 11 -4.066 -4.302 -3.647 72 HG13 VAL 11 3HG1 VAL 11 -3.579 -3.766 -2.039 73 HG21 VAL 11 1HG2 VAL 11 -2.118 -6.371 -4.349 74 HG22 VAL 11 2HG2 VAL 11 -1.701 -6.596 -2.650 75 HG23 VAL 11 3HG2 VAL 11 -0.494 -5.987 -3.781 76 H LEU 12 H LEU 12 -3.285 -2.105 -3.125 77 HA LEU 12 HA LEU 12 -1.678 0.283 -3.450 78 HB2 LEU 12 2HB LEU 12 -4.173 -0.037 -1.792 79 HB3 LEU 12 1HB LEU 12 -3.490 1.452 -2.416 80 HG LEU 12 HG LEU 12 -4.360 -0.649 -4.350 81 HD11 LEU 12 1HD1 LEU 12 -6.143 -0.142 -2.514 82 HD12 LEU 12 2HD1 LEU 12 -6.604 -0.158 -4.217 83 HD13 LEU 12 3HD1 LEU 12 -6.330 1.377 -3.390 84 HD21 LEU 12 1HD2 LEU 12 -3.261 1.211 -5.312 85 HD22 LEU 12 2HD2 LEU 12 -4.180 2.353 -4.332 86 HD23 LEU 12 3HD2 LEU 12 -4.982 1.446 -5.615 87 H ALA 13 H ALA 13 -0.347 1.159 -1.967 88 HA ALA 13 HA ALA 13 -0.211 -0.148 0.672 89 HB1 ALA 13 1HB ALA 13 2.116 0.014 0.669 90 HB2 ALA 13 2HB ALA 13 2.125 1.215 -0.623 91 HB3 ALA 13 3HB ALA 13 1.726 -0.464 -0.983 92 H GLN 14 H GLN 14 0.649 1.216 2.423 93 HA GLN 14 HA GLN 14 -0.137 4.035 2.078 94 HB2 GLN 14 2HB GLN 14 -0.445 3.764 4.708 95 HB3 GLN 14 1HB GLN 14 -1.734 3.384 3.577 96 HG2 GLN 14 2HG GLN 14 -1.134 1.023 3.674 97 HG3 GLN 14 1HG GLN 14 0.175 1.400 4.794 98 HE21 GLN 14 1HE2 GLN 14 -0.320 0.857 6.782 99 HE22 GLN 14 2HE2 GLN 14 -1.870 1.002 7.530 100 H LEU 15 H LEU 15 1.834 4.950 1.730 101 HA LEU 15 HA LEU 15 3.645 4.994 4.016 102 HB2 LEU 15 2HB LEU 15 4.749 4.597 1.247 103 HB3 LEU 15 1HB LEU 15 5.598 4.493 2.779 104 HG LEU 15 HG LEU 15 3.872 2.500 3.170 105 HD11 LEU 15 1HD1 LEU 15 2.616 2.290 1.301 106 HD12 LEU 15 2HD1 LEU 15 4.001 1.338 0.766 107 HD13 LEU 15 3HD1 LEU 15 3.840 3.021 0.261 108 HD21 LEU 15 1HD2 LEU 15 6.174 2.111 3.379 109 HD22 LEU 15 2HD2 LEU 15 6.480 2.487 1.683 110 HD23 LEU 15 3HD2 LEU 15 5.643 0.998 2.119 111 HA PRO 16 HA PRO 16 3.790 9.254 2.868 112 HB2 PRO 16 2HB PRO 16 5.724 10.104 4.494 113 HB3 PRO 16 1HB PRO 16 4.193 9.497 5.140 114 HG2 PRO 16 2HG PRO 16 6.837 8.112 4.922 115 HG3 PRO 16 1HG PRO 16 5.681 8.114 6.267 116 HD2 PRO 16 2HD PRO 16 5.886 6.104 4.394 117 HD3 PRO 16 1HD PRO 16 4.424 6.447 5.339 118 H GLY 17 H GLY 17 5.389 10.971 2.184 119 HA2 GLY 17 2HA GLY 17 7.669 9.793 0.727 120 HA3 GLY 17 1HA GLY 17 6.553 10.885 -0.077 Start of MODEL 12 1 H1 GLY 1 H GLY 1 1.311 -2.527 0.673 2 HA2 GLY 1 2HA GLY 1 0.899 -5.024 1.945 3 HA3 GLY 1 1HA GLY 1 1.555 -3.778 2.995 4 HA PRO 2 HA PRO 2 -2.830 -3.051 3.795 5 HB2 PRO 2 2HB PRO 2 -1.614 -0.605 4.998 6 HB3 PRO 2 1HB PRO 2 -2.816 -1.713 5.672 7 HG2 PRO 2 2HG PRO 2 -0.284 -1.803 6.484 8 HG3 PRO 2 1HG PRO 2 -1.223 -3.292 6.263 9 HD2 PRO 2 2HD PRO 2 0.918 -2.126 4.547 10 HD3 PRO 2 1HD PRO 2 0.530 -3.827 4.872 11 HA PRO 3 HA PRO 3 -3.528 -0.548 0.125 12 HB2 PRO 3 2HB PRO 3 -6.207 -0.323 1.420 13 HB3 PRO 3 1HB PRO 3 -5.794 -0.743 -0.246 14 HG2 PRO 3 2HG PRO 3 -6.552 -2.624 1.476 15 HG3 PRO 3 1HG PRO 3 -5.268 -2.935 0.295 16 HD2 PRO 3 2HD PRO 3 -5.067 -2.419 3.224 17 HD3 PRO 3 1HD PRO 3 -4.074 -3.465 2.189 18 H GLY 4 H GLY 4 -2.528 1.389 0.284 19 HA2 GLY 4 2HA GLY 4 -3.772 3.401 2.059 20 HA3 GLY 4 1HA GLY 4 -2.036 3.306 1.814 21 H ASP 5 H ASP 5 -1.313 4.879 0.561 22 HA ASP 5 HA ASP 5 -3.057 5.876 -1.591 23 HB2 ASP 5 2HB ASP 5 -2.243 7.434 0.302 24 HB3 ASP 5 1HB ASP 5 -0.677 7.359 -0.500 25 H ARG 6 H ARG 6 0.056 4.511 -0.852 26 HA ARG 6 HA ARG 6 1.039 4.976 -3.556 27 HB2 ARG 6 2HB ARG 6 3.140 4.067 -2.780 28 HB3 ARG 6 1HB ARG 6 2.563 5.255 -1.619 29 HG2 ARG 6 2HG ARG 6 2.457 3.757 0.026 30 HG3 ARG 6 1HG ARG 6 1.678 2.555 -1.003 31 HD2 ARG 6 2HD ARG 6 3.988 1.992 -0.064 32 HD3 ARG 6 1HD ARG 6 3.718 1.727 -1.785 33 HE ARG 6 HE ARG 6 5.258 3.363 -2.250 34 HH11 ARG 6 1HH1 ARG 6 4.398 3.537 1.128 35 HH12 ARG 6 2HH1 ARG 6 5.645 4.675 1.514 36 HH21 ARG 6 1HH2 ARG 6 6.898 4.859 -1.743 37 HH22 ARG 6 2HH2 ARG 6 7.063 5.425 -0.114 38 H ILE 7 H ILE 7 2.498 2.723 -4.080 39 HA ILE 7 HA ILE 7 0.422 0.642 -4.248 40 HB ILE 7 HB ILE 7 1.289 1.957 -6.386 41 HG12 ILE 7 2HG1 ILE 7 0.908 -0.310 -7.646 42 HG13 ILE 7 1HG1 ILE 7 0.520 -0.916 -6.039 43 HG21 ILE 7 1HG2 ILE 7 3.091 0.978 -7.526 44 HG22 ILE 7 2HG2 ILE 7 3.152 -0.396 -6.422 45 HG23 ILE 7 3HG2 ILE 7 3.664 1.200 -5.873 46 HD11 ILE 7 1HD1 ILE 7 -1.518 -0.299 -7.048 47 HD12 ILE 7 2HD1 ILE 7 -0.868 1.251 -7.583 48 HD13 ILE 7 3HD1 ILE 7 -1.150 0.957 -5.867 49 H GLU 8 H GLU 8 1.080 -1.528 -4.232 50 HA GLU 8 HA GLU 8 3.729 -2.009 -3.041 51 HB2 GLU 8 2HB GLU 8 1.334 -2.402 -1.806 52 HB3 GLU 8 1HB GLU 8 1.593 -3.981 -2.534 53 HG2 GLU 8 2HG GLU 8 3.789 -4.101 -1.434 54 HG3 GLU 8 1HG GLU 8 3.468 -2.548 -0.666 55 H PHE 9 H PHE 9 3.224 -4.916 -3.155 56 HA PHE 9 HA PHE 9 4.275 -5.391 -5.759 57 HB2 PHE 9 2HB PHE 9 3.646 -7.037 -3.365 58 HB3 PHE 9 1HB PHE 9 3.725 -7.878 -4.910 59 HD1 PHE 9 1HD PHE 9 5.838 -7.513 -6.327 60 HD2 PHE 9 2HD PHE 9 5.585 -6.592 -2.180 61 HE1 PHE 9 1HE PHE 9 8.292 -7.592 -6.164 62 HE2 PHE 9 2HE PHE 9 8.039 -6.669 -2.009 63 HZ PHE 9 HZ PHE 9 9.396 -7.170 -4.003 64 H GLY 10 H GLY 10 2.052 -4.180 -6.418 65 HA2 GLY 10 2HA GLY 10 0.529 -4.684 -8.173 66 HA3 GLY 10 1HA GLY 10 0.406 -6.324 -7.555 67 H VAL 11 H VAL 11 0.238 -3.785 -5.233 68 HA VAL 11 HA VAL 11 -2.664 -3.612 -5.339 69 HB VAL 11 HB VAL 11 -1.646 -4.327 -2.648 70 HG11 VAL 11 1HG1 VAL 11 -3.910 -5.714 -2.989 71 HG12 VAL 11 2HG1 VAL 11 -4.157 -4.454 -4.198 72 HG13 VAL 11 3HG1 VAL 11 -3.882 -4.016 -2.512 73 HG21 VAL 11 1HG2 VAL 11 -1.945 -6.762 -3.135 74 HG22 VAL 11 2HG2 VAL 11 -0.520 -6.041 -3.884 75 HG23 VAL 11 3HG2 VAL 11 -1.958 -6.360 -4.853 76 H LEU 12 H LEU 12 -3.421 -2.260 -3.337 77 HA LEU 12 HA LEU 12 -1.980 0.213 -3.462 78 HB2 LEU 12 2HB LEU 12 -4.314 -0.531 -1.700 79 HB3 LEU 12 1HB LEU 12 -3.750 1.093 -2.046 80 HG LEU 12 HG LEU 12 -4.905 -0.806 -4.090 81 HD11 LEU 12 1HD1 LEU 12 -6.815 -0.245 -3.023 82 HD12 LEU 12 2HD1 LEU 12 -6.647 1.229 -3.975 83 HD13 LEU 12 3HD1 LEU 12 -6.115 1.200 -2.294 84 HD21 LEU 12 1HD2 LEU 12 -5.009 1.288 -5.465 85 HD22 LEU 12 2HD2 LEU 12 -3.381 0.682 -5.155 86 HD23 LEU 12 3HD2 LEU 12 -3.998 2.061 -4.244 87 H ALA 13 H ALA 13 -0.836 1.257 -1.843 88 HA ALA 13 HA ALA 13 -0.382 -0.219 0.654 89 HB1 ALA 13 1HB ALA 13 2.096 0.503 0.359 90 HB2 ALA 13 2HB ALA 13 1.681 0.585 -1.353 91 HB3 ALA 13 3HB ALA 13 1.502 -0.933 -0.474 92 H GLN 14 H GLN 14 0.983 1.169 2.194 93 HA GLN 14 HA GLN 14 -0.103 3.898 2.123 94 HB2 GLN 14 2HB GLN 14 1.073 2.506 4.525 95 HB3 GLN 14 1HB GLN 14 0.050 3.935 4.497 96 HG2 GLN 14 2HG GLN 14 -1.543 2.090 3.283 97 HG3 GLN 14 1HG GLN 14 -0.666 1.102 4.450 98 HE21 GLN 14 1HE2 GLN 14 -3.125 3.410 3.972 99 HE22 GLN 14 2HE2 GLN 14 -3.586 3.607 5.625 100 H LEU 15 H LEU 15 1.254 5.653 2.885 101 HA LEU 15 HA LEU 15 4.134 5.147 2.768 102 HB2 LEU 15 2HB LEU 15 4.562 6.786 1.137 103 HB3 LEU 15 1HB LEU 15 3.248 5.822 0.497 104 HG LEU 15 HG LEU 15 2.946 8.527 1.804 105 HD11 LEU 15 1HD1 LEU 15 2.119 8.894 -0.706 106 HD12 LEU 15 2HD1 LEU 15 3.333 7.647 -0.992 107 HD13 LEU 15 3HD1 LEU 15 3.788 9.157 -0.200 108 HD21 LEU 15 1HD2 LEU 15 0.640 8.266 0.649 109 HD22 LEU 15 2HD2 LEU 15 0.925 7.478 2.201 110 HD23 LEU 15 3HD2 LEU 15 0.999 6.540 0.709 111 HA PRO 16 HA PRO 16 4.132 8.085 6.062 112 HB2 PRO 16 2HB PRO 16 6.750 8.524 6.296 113 HB3 PRO 16 1HB PRO 16 6.063 6.929 6.627 114 HG2 PRO 16 2HG PRO 16 7.486 7.909 4.182 115 HG3 PRO 16 1HG PRO 16 7.653 6.360 5.028 116 HD2 PRO 16 2HD PRO 16 6.125 6.743 2.766 117 HD3 PRO 16 1HD PRO 16 5.861 5.445 3.947 118 H GLY 17 H GLY 17 4.390 10.296 6.530 119 HA2 GLY 17 2HA GLY 17 5.002 12.522 6.076 120 HA3 GLY 17 1HA GLY 17 5.495 12.034 4.462 Start of MODEL 13 1 H1 GLY 1 H GLY 1 1.755 -2.094 1.092 2 HA2 GLY 1 2HA GLY 1 1.396 -4.381 2.696 3 HA3 GLY 1 1HA GLY 1 1.737 -2.768 3.303 4 HA PRO 2 HA PRO 2 -2.859 -3.136 3.420 5 HB2 PRO 2 2HB PRO 2 -2.325 -0.637 4.956 6 HB3 PRO 2 1HB PRO 2 -3.414 -1.977 5.330 7 HG2 PRO 2 2HG PRO 2 -1.095 -1.714 6.612 8 HG3 PRO 2 1HG PRO 2 -1.703 -3.314 6.146 9 HD2 PRO 2 2HD PRO 2 0.472 -1.681 4.923 10 HD3 PRO 2 1HD PRO 2 0.343 -3.443 5.099 11 HA PRO 3 HA PRO 3 -3.728 -0.400 0.042 12 HB2 PRO 3 2HB PRO 3 -6.394 -0.058 1.302 13 HB3 PRO 3 1HB PRO 3 -5.980 -0.597 -0.328 14 HG2 PRO 3 2HG PRO 3 -6.843 -2.327 1.509 15 HG3 PRO 3 1HG PRO 3 -5.579 -2.774 0.348 16 HD2 PRO 3 2HD PRO 3 -5.331 -2.046 3.235 17 HD3 PRO 3 1HD PRO 3 -4.442 -3.262 2.296 18 H GLY 4 H GLY 4 -2.566 1.456 0.345 19 HA2 GLY 4 2HA GLY 4 -3.812 3.515 2.064 20 HA3 GLY 4 1HA GLY 4 -2.072 3.354 1.876 21 H ASP 5 H ASP 5 -1.429 5.147 0.847 22 HA ASP 5 HA ASP 5 -2.949 5.994 -1.527 23 HB2 ASP 5 2HB ASP 5 -1.068 7.574 0.240 24 HB3 ASP 5 1HB ASP 5 -1.827 8.196 -1.222 25 H ARG 6 H ARG 6 -0.825 3.880 -1.281 26 HA ARG 6 HA ARG 6 0.859 4.878 -3.463 27 HB2 ARG 6 2HB ARG 6 1.780 4.334 -0.841 28 HB3 ARG 6 1HB ARG 6 2.365 3.029 -1.864 29 HG2 ARG 6 2HG ARG 6 3.024 5.058 -3.436 30 HG3 ARG 6 1HG ARG 6 3.038 5.914 -1.893 31 HD2 ARG 6 2HD ARG 6 4.909 4.887 -1.209 32 HD3 ARG 6 1HD ARG 6 4.382 3.319 -1.818 33 HE ARG 6 HE ARG 6 5.018 4.665 -4.072 34 HH11 ARG 6 1HH1 ARG 6 6.733 4.081 -1.089 35 HH12 ARG 6 2HH1 ARG 6 8.295 4.115 -1.834 36 HH21 ARG 6 1HH2 ARG 6 7.072 4.710 -5.055 37 HH22 ARG 6 2HH2 ARG 6 8.489 4.472 -4.086 38 H ILE 7 H ILE 7 2.336 2.632 -3.973 39 HA ILE 7 HA ILE 7 0.307 0.545 -4.399 40 HB ILE 7 HB ILE 7 1.251 2.105 -6.410 41 HG12 ILE 7 2HG1 ILE 7 0.494 -0.811 -6.678 42 HG13 ILE 7 1HG1 ILE 7 -0.651 0.506 -6.442 43 HG21 ILE 7 1HG2 ILE 7 3.537 1.181 -6.126 44 HG22 ILE 7 2HG2 ILE 7 2.858 0.912 -7.731 45 HG23 ILE 7 3HG2 ILE 7 2.908 -0.407 -6.561 46 HD11 ILE 7 1HD1 ILE 7 -0.725 0.142 -8.719 47 HD12 ILE 7 2HD1 ILE 7 1.013 -0.138 -8.834 48 HD13 ILE 7 3HD1 ILE 7 0.399 1.495 -8.578 49 H GLU 8 H GLU 8 0.858 -1.422 -3.779 50 HA GLU 8 HA GLU 8 3.576 -1.910 -2.843 51 HB2 GLU 8 2HB GLU 8 1.123 -2.552 -1.791 52 HB3 GLU 8 1HB GLU 8 1.590 -4.063 -2.560 53 HG2 GLU 8 2HG GLU 8 3.514 -4.270 -1.234 54 HG3 GLU 8 1HG GLU 8 3.430 -2.590 -0.707 55 H PHE 9 H PHE 9 3.338 -4.809 -3.149 56 HA PHE 9 HA PHE 9 4.415 -5.018 -5.796 57 HB2 PHE 9 2HB PHE 9 3.927 -7.013 -3.590 58 HB3 PHE 9 1HB PHE 9 4.535 -7.498 -5.169 59 HD1 PHE 9 1HD PHE 9 6.795 -7.802 -5.294 60 HD2 PHE 9 2HD PHE 9 5.269 -4.842 -2.645 61 HE1 PHE 9 1HE PHE 9 9.087 -7.271 -4.574 62 HE2 PHE 9 2HE PHE 9 7.559 -4.305 -1.920 63 HZ PHE 9 HZ PHE 9 9.471 -5.520 -2.885 64 H GLY 10 H GLY 10 2.010 -4.132 -6.344 65 HA2 GLY 10 2HA GLY 10 0.589 -4.916 -8.133 66 HA3 GLY 10 1HA GLY 10 0.595 -6.501 -7.379 67 H VAL 11 H VAL 11 0.256 -3.881 -5.203 68 HA VAL 11 HA VAL 11 -2.649 -3.851 -5.324 69 HB VAL 11 HB VAL 11 -1.740 -4.355 -2.581 70 HG11 VAL 11 1HG1 VAL 11 -3.809 -6.011 -3.883 71 HG12 VAL 11 2HG1 VAL 11 -4.118 -4.275 -3.821 72 HG13 VAL 11 3HG1 VAL 11 -3.831 -5.174 -2.330 73 HG21 VAL 11 1HG2 VAL 11 -1.568 -6.806 -2.880 74 HG22 VAL 11 2HG2 VAL 11 -0.246 -5.926 -3.648 75 HG23 VAL 11 3HG2 VAL 11 -1.566 -6.567 -4.628 76 H LEU 12 H LEU 12 -3.456 -2.482 -3.334 77 HA LEU 12 HA LEU 12 -2.103 0.047 -3.555 78 HB2 LEU 12 2HB LEU 12 -4.440 -0.688 -1.790 79 HB3 LEU 12 1HB LEU 12 -3.918 0.933 -2.211 80 HG LEU 12 HG LEU 12 -5.097 -1.108 -4.096 81 HD11 LEU 12 1HD1 LEU 12 -6.969 0.406 -4.234 82 HD12 LEU 12 2HD1 LEU 12 -6.175 1.537 -3.138 83 HD13 LEU 12 3HD1 LEU 12 -6.695 -0.043 -2.550 84 HD21 LEU 12 1HD2 LEU 12 -3.634 1.417 -4.546 85 HD22 LEU 12 2HD2 LEU 12 -5.110 1.184 -5.485 86 HD23 LEU 12 3HD2 LEU 12 -3.806 0.000 -5.584 87 H ALA 13 H ALA 13 -0.770 1.004 -2.120 88 HA ALA 13 HA ALA 13 -0.375 -0.321 0.481 89 HB1 ALA 13 1HB ALA 13 1.922 -0.300 0.288 90 HB2 ALA 13 2HB ALA 13 1.913 0.970 -0.937 91 HB3 ALA 13 3HB ALA 13 1.426 -0.670 -1.362 92 H GLN 14 H GLN 14 1.121 1.196 1.882 93 HA GLN 14 HA GLN 14 -0.029 3.906 1.739 94 HB2 GLN 14 2HB GLN 14 0.954 2.739 4.315 95 HB3 GLN 14 1HB GLN 14 -0.269 3.974 4.047 96 HG2 GLN 14 2HG GLN 14 -1.368 1.768 2.845 97 HG3 GLN 14 1HG GLN 14 -0.534 1.082 4.238 98 HE21 GLN 14 1HE2 GLN 14 -2.229 4.157 3.746 99 HE22 GLN 14 2HE2 GLN 14 -3.347 3.947 5.046 100 H LEU 15 H LEU 15 1.336 5.562 2.912 101 HA LEU 15 HA LEU 15 4.048 5.346 1.917 102 HB2 LEU 15 2HB LEU 15 4.244 7.679 2.351 103 HB3 LEU 15 1HB LEU 15 2.673 7.402 1.624 104 HG LEU 15 HG LEU 15 2.868 7.515 4.603 105 HD11 LEU 15 1HD1 LEU 15 4.025 9.477 4.255 106 HD12 LEU 15 2HD1 LEU 15 2.353 10.040 4.241 107 HD13 LEU 15 3HD1 LEU 15 3.218 9.807 2.722 108 HD21 LEU 15 1HD2 LEU 15 0.657 8.844 3.950 109 HD22 LEU 15 2HD2 LEU 15 0.704 7.084 4.066 110 HD23 LEU 15 3HD2 LEU 15 0.820 7.867 2.490 111 HA PRO 16 HA PRO 16 5.768 4.295 5.855 112 HB2 PRO 16 2HB PRO 16 8.360 4.549 5.274 113 HB3 PRO 16 1HB PRO 16 7.374 3.294 4.513 114 HG2 PRO 16 2HG PRO 16 8.248 5.941 3.418 115 HG3 PRO 16 1HG PRO 16 8.216 4.356 2.622 116 HD2 PRO 16 2HD PRO 16 6.271 6.278 2.320 117 HD3 PRO 16 1HD PRO 16 6.000 4.541 2.088 118 H GLY 17 H GLY 17 5.505 5.659 7.528 119 HA2 GLY 17 2HA GLY 17 6.823 8.295 7.401 120 HA3 GLY 17 1HA GLY 17 5.411 7.927 8.380 Start of MODEL 14 1 H1 GLY 1 H GLY 1 1.188 -2.621 1.028 2 HA2 GLY 1 2HA GLY 1 0.139 -5.153 1.760 3 HA3 GLY 1 1HA GLY 1 1.139 -4.424 3.006 4 HA PRO 2 HA PRO 2 -2.442 -2.378 4.624 5 HB2 PRO 2 2HB PRO 2 -0.548 -0.102 5.000 6 HB3 PRO 2 1HB PRO 2 -1.663 -0.839 6.155 7 HG2 PRO 2 2HG PRO 2 0.944 -1.356 6.274 8 HG3 PRO 2 1HG PRO 2 -0.252 -2.632 6.577 9 HD2 PRO 2 2HD PRO 2 1.461 -2.167 4.182 10 HD3 PRO 2 1HD PRO 2 0.896 -3.694 4.891 11 HA PRO 3 HA PRO 3 -3.418 -0.354 0.635 12 HB2 PRO 3 2HB PRO 3 -6.003 -0.189 2.120 13 HB3 PRO 3 1HB PRO 3 -5.693 -0.676 0.450 14 HG2 PRO 3 2HG PRO 3 -6.217 -2.499 2.314 15 HG3 PRO 3 1HG PRO 3 -4.999 -2.805 1.060 16 HD2 PRO 3 2HD PRO 3 -4.628 -2.116 3.937 17 HD3 PRO 3 1HD PRO 3 -3.651 -3.165 2.890 18 H GLY 4 H GLY 4 -2.936 1.711 0.298 19 HA2 GLY 4 2HA GLY 4 -4.137 3.775 1.976 20 HA3 GLY 4 1HA GLY 4 -2.382 3.706 1.955 21 H ASP 5 H ASP 5 -1.463 5.070 0.590 22 HA ASP 5 HA ASP 5 -2.960 5.861 -1.823 23 HB2 ASP 5 2HB ASP 5 -0.841 7.497 -0.422 24 HB3 ASP 5 1HB ASP 5 -1.923 8.023 -1.708 25 H ARG 6 H ARG 6 -0.219 4.228 -0.721 26 HA ARG 6 HA ARG 6 1.330 4.774 -3.135 27 HB2 ARG 6 2HB ARG 6 2.140 4.515 -0.574 28 HB3 ARG 6 1HB ARG 6 2.310 2.848 -1.104 29 HG2 ARG 6 2HG ARG 6 4.373 4.217 -1.298 30 HG3 ARG 6 1HG ARG 6 3.853 3.462 -2.804 31 HD2 ARG 6 2HD ARG 6 2.854 6.195 -2.258 32 HD3 ARG 6 1HD ARG 6 4.570 6.036 -2.624 33 HE ARG 6 HE ARG 6 2.462 5.910 -4.476 34 HH11 ARG 6 1HH1 ARG 6 5.460 4.295 -3.709 35 HH12 ARG 6 2HH1 ARG 6 5.749 3.790 -5.340 36 HH21 ARG 6 1HH2 ARG 6 2.843 5.248 -6.621 37 HH22 ARG 6 2HH2 ARG 6 4.266 4.332 -6.993 38 H ILE 7 H ILE 7 2.511 2.684 -3.961 39 HA ILE 7 HA ILE 7 0.439 0.625 -4.327 40 HB ILE 7 HB ILE 7 1.408 2.133 -6.314 41 HG12 ILE 7 2HG1 ILE 7 1.103 -0.691 -7.119 42 HG13 ILE 7 1HG1 ILE 7 -0.195 -0.053 -6.114 43 HG21 ILE 7 1HG2 ILE 7 3.180 -0.293 -6.479 44 HG22 ILE 7 2HG2 ILE 7 3.735 1.256 -5.844 45 HG23 ILE 7 3HG2 ILE 7 3.184 1.136 -7.514 46 HD11 ILE 7 1HD1 ILE 7 -0.988 1.252 -7.752 47 HD12 ILE 7 2HD1 ILE 7 -0.115 0.131 -8.798 48 HD13 ILE 7 3HD1 ILE 7 0.619 1.670 -8.346 49 H GLU 8 H GLU 8 0.898 -1.413 -3.814 50 HA GLU 8 HA GLU 8 3.536 -2.008 -2.735 51 HB2 GLU 8 2HB GLU 8 0.955 -2.688 -1.965 52 HB3 GLU 8 1HB GLU 8 1.578 -4.173 -2.669 53 HG2 GLU 8 2HG GLU 8 3.480 -4.117 -1.162 54 HG3 GLU 8 1HG GLU 8 2.916 -2.589 -0.486 55 H PHE 9 H PHE 9 3.302 -4.874 -3.209 56 HA PHE 9 HA PHE 9 4.551 -4.972 -5.782 57 HB2 PHE 9 2HB PHE 9 3.727 -7.473 -4.376 58 HB3 PHE 9 1HB PHE 9 5.219 -7.111 -5.235 59 HD1 PHE 9 1HD PHE 9 3.560 -7.210 -2.053 60 HD2 PHE 9 2HD PHE 9 6.935 -5.651 -4.126 61 HE1 PHE 9 1HE PHE 9 4.678 -6.783 0.097 62 HE2 PHE 9 2HE PHE 9 8.060 -5.222 -1.980 63 HZ PHE 9 HZ PHE 9 6.931 -5.788 0.135 64 H GLY 10 H GLY 10 2.226 -3.994 -6.453 65 HA2 GLY 10 2HA GLY 10 0.878 -4.586 -8.345 66 HA3 GLY 10 1HA GLY 10 0.857 -6.244 -7.764 67 H VAL 11 H VAL 11 0.378 -3.772 -5.417 68 HA VAL 11 HA VAL 11 -2.521 -3.831 -5.644 69 HB VAL 11 HB VAL 11 -1.517 -4.516 -2.932 70 HG11 VAL 11 1HG1 VAL 11 -3.765 -6.031 -3.735 71 HG12 VAL 11 2HG1 VAL 11 -4.004 -4.386 -4.320 72 HG13 VAL 11 3HG1 VAL 11 -3.703 -4.677 -2.607 73 HG21 VAL 11 1HG2 VAL 11 -0.284 -6.121 -4.255 74 HG22 VAL 11 2HG2 VAL 11 -1.741 -6.551 -5.150 75 HG23 VAL 11 3HG2 VAL 11 -1.614 -6.938 -3.433 76 H LEU 12 H LEU 12 -3.469 -2.551 -3.687 77 HA LEU 12 HA LEU 12 -2.137 0.002 -3.684 78 HB2 LEU 12 2HB LEU 12 -4.132 0.534 -2.073 79 HB3 LEU 12 1HB LEU 12 -4.401 0.342 -3.794 80 HG LEU 12 HG LEU 12 -5.296 -1.867 -3.480 81 HD11 LEU 12 1HD1 LEU 12 -4.295 -1.534 -0.678 82 HD12 LEU 12 2HD1 LEU 12 -4.023 -2.861 -1.807 83 HD13 LEU 12 3HD1 LEU 12 -5.605 -2.654 -1.053 84 HD21 LEU 12 1HD2 LEU 12 -6.996 -0.310 -3.226 85 HD22 LEU 12 2HD2 LEU 12 -6.365 0.277 -1.687 86 HD23 LEU 12 3HD2 LEU 12 -7.148 -1.300 -1.775 87 H ALA 13 H ALA 13 -1.237 1.084 -1.944 88 HA ALA 13 HA ALA 13 -1.126 -0.225 0.650 89 HB1 ALA 13 1HB ALA 13 1.393 0.363 -0.901 90 HB2 ALA 13 2HB ALA 13 0.731 -1.242 -0.590 91 HB3 ALA 13 3HB ALA 13 1.303 -0.248 0.751 92 H GLN 14 H GLN 14 0.681 1.203 1.964 93 HA GLN 14 HA GLN 14 -0.105 4.012 1.540 94 HB2 GLN 14 2HB GLN 14 0.040 4.292 3.996 95 HB3 GLN 14 1HB GLN 14 -1.201 3.142 3.518 96 HG2 GLN 14 2HG GLN 14 0.393 1.306 4.007 97 HG3 GLN 14 1HG GLN 14 1.524 2.509 4.622 98 HE21 GLN 14 1HE2 GLN 14 -1.975 2.031 4.974 99 HE22 GLN 14 2HE2 GLN 14 -1.975 2.037 6.702 100 H LEU 15 H LEU 15 1.435 5.619 2.328 101 HA LEU 15 HA LEU 15 4.208 4.622 2.233 102 HB2 LEU 15 2HB LEU 15 4.853 6.679 1.131 103 HB3 LEU 15 1HB LEU 15 3.593 5.872 0.215 104 HG LEU 15 HG LEU 15 2.753 7.970 2.146 105 HD11 LEU 15 1HD1 LEU 15 4.447 8.437 -0.241 106 HD12 LEU 15 2HD1 LEU 15 4.329 9.350 1.262 107 HD13 LEU 15 3HD1 LEU 15 3.085 9.526 0.024 108 HD21 LEU 15 1HD2 LEU 15 1.419 6.432 0.388 109 HD22 LEU 15 2HD2 LEU 15 1.761 7.832 -0.627 110 HD23 LEU 15 3HD2 LEU 15 0.880 8.035 0.888 111 HA PRO 16 HA PRO 16 4.663 6.660 6.138 112 HB2 PRO 16 2HB PRO 16 7.280 6.328 6.492 113 HB3 PRO 16 1HB PRO 16 6.191 4.936 6.445 114 HG2 PRO 16 2HG PRO 16 7.991 6.006 4.309 115 HG3 PRO 16 1HG PRO 16 7.683 4.323 4.773 116 HD2 PRO 16 2HD PRO 16 6.480 5.622 2.646 117 HD3 PRO 16 1HD PRO 16 5.825 4.187 3.459 118 H GLY 17 H GLY 17 4.288 8.570 4.214 119 HA2 GLY 17 2HA GLY 17 5.431 10.848 5.207 120 HA3 GLY 17 1HA GLY 17 6.553 10.315 3.963 Start of MODEL 15 1 H1 GLY 1 H GLY 1 1.523 -2.546 1.043 2 HA2 GLY 1 2HA GLY 1 0.331 -5.151 1.633 3 HA3 GLY 1 1HA GLY 1 1.236 -4.250 2.839 4 HA PRO 2 HA PRO 2 -2.658 -2.623 4.238 5 HB2 PRO 2 2HB PRO 2 -0.995 -0.249 4.932 6 HB3 PRO 2 1HB PRO 2 -2.119 -1.168 5.938 7 HG2 PRO 2 2HG PRO 2 0.509 -1.460 6.234 8 HG3 PRO 2 1HG PRO 2 -0.580 -2.856 6.349 9 HD2 PRO 2 2HD PRO 2 1.231 -2.040 4.120 10 HD3 PRO 2 1HD PRO 2 0.813 -3.665 4.700 11 HA PRO 3 HA PRO 3 -3.471 -0.454 0.297 12 HB2 PRO 3 2HB PRO 3 -6.100 -0.343 1.717 13 HB3 PRO 3 1HB PRO 3 -5.750 -0.733 0.029 14 HG2 PRO 3 2HG PRO 3 -6.310 -2.662 1.773 15 HG3 PRO 3 1HG PRO 3 -5.067 -2.893 0.530 16 HD2 PRO 3 2HD PRO 3 -4.760 -2.414 3.450 17 HD3 PRO 3 1HD PRO 3 -3.730 -3.343 2.341 18 H GLY 4 H GLY 4 -2.660 1.559 0.262 19 HA2 GLY 4 2HA GLY 4 -3.957 3.574 1.984 20 HA3 GLY 4 1HA GLY 4 -2.208 3.523 1.823 21 H ASP 5 H ASP 5 -1.425 4.990 0.482 22 HA ASP 5 HA ASP 5 -3.118 5.889 -1.754 23 HB2 ASP 5 2HB ASP 5 -1.816 7.999 -1.669 24 HB3 ASP 5 1HB ASP 5 -2.681 7.674 -0.169 25 H ARG 6 H ARG 6 -0.131 4.411 -0.905 26 HA ARG 6 HA ARG 6 1.037 4.924 -3.533 27 HB2 ARG 6 2HB ARG 6 3.041 3.839 -2.643 28 HB3 ARG 6 1HB ARG 6 2.500 5.132 -1.579 29 HG2 ARG 6 2HG ARG 6 1.649 3.603 0.005 30 HG3 ARG 6 1HG ARG 6 1.796 2.250 -1.116 31 HD2 ARG 6 2HD ARG 6 3.993 3.765 0.271 32 HD3 ARG 6 1HD ARG 6 3.596 2.054 0.406 33 HE ARG 6 HE ARG 6 4.637 1.661 -1.644 34 HH11 ARG 6 1HH1 ARG 6 4.683 5.065 -0.853 35 HH12 ARG 6 2HH1 ARG 6 5.904 5.442 -2.019 36 HH21 ARG 6 1HH2 ARG 6 6.238 2.164 -3.176 37 HH22 ARG 6 2HH2 ARG 6 6.785 3.799 -3.337 38 H ILE 7 H ILE 7 2.405 2.703 -4.137 39 HA ILE 7 HA ILE 7 0.343 0.611 -4.329 40 HB ILE 7 HB ILE 7 1.141 2.043 -6.447 41 HG12 ILE 7 2HG1 ILE 7 0.681 -0.931 -6.679 42 HG13 ILE 7 1HG1 ILE 7 -0.598 0.198 -6.237 43 HG21 ILE 7 1HG2 ILE 7 3.507 1.234 -6.114 44 HG22 ILE 7 2HG2 ILE 7 2.836 0.998 -7.727 45 HG23 ILE 7 3HG2 ILE 7 2.942 -0.361 -6.609 46 HD11 ILE 7 1HD1 ILE 7 -0.617 -0.389 -8.619 47 HD12 ILE 7 2HD1 ILE 7 0.993 0.309 -8.788 48 HD13 ILE 7 3HD1 ILE 7 -0.371 1.336 -8.349 49 H GLU 8 H GLU 8 0.898 -1.395 -3.786 50 HA GLU 8 HA GLU 8 3.617 -1.877 -2.852 51 HB2 GLU 8 2HB GLU 8 1.153 -2.537 -1.819 52 HB3 GLU 8 1HB GLU 8 1.656 -4.044 -2.570 53 HG2 GLU 8 2HG GLU 8 3.736 -3.988 -1.286 54 HG3 GLU 8 1HG GLU 8 3.222 -2.482 -0.529 55 H PHE 9 H PHE 9 3.388 -4.773 -3.175 56 HA PHE 9 HA PHE 9 4.462 -4.964 -5.824 57 HB2 PHE 9 2HB PHE 9 5.405 -6.271 -3.970 58 HB3 PHE 9 1HB PHE 9 3.878 -7.128 -3.792 59 HD1 PHE 9 1HD PHE 9 6.497 -6.408 -6.342 60 HD2 PHE 9 2HD PHE 9 3.601 -9.150 -4.855 61 HE1 PHE 9 1HE PHE 9 7.256 -8.088 -7.971 62 HE2 PHE 9 2HE PHE 9 4.356 -10.835 -6.481 63 HZ PHE 9 HZ PHE 9 6.187 -10.306 -8.042 64 H GLY 10 H GLY 10 2.060 -4.085 -6.372 65 HA2 GLY 10 2HA GLY 10 0.643 -4.869 -8.165 66 HA3 GLY 10 1HA GLY 10 0.651 -6.455 -7.413 67 H VAL 11 H VAL 11 0.304 -3.850 -5.227 68 HA VAL 11 HA VAL 11 -2.599 -3.816 -5.365 69 HB VAL 11 HB VAL 11 -1.981 -4.254 -2.609 70 HG11 VAL 11 1HG1 VAL 11 -3.399 -6.355 -4.100 71 HG12 VAL 11 2HG1 VAL 11 -4.041 -4.725 -4.292 72 HG13 VAL 11 3HG1 VAL 11 -3.895 -5.431 -2.682 73 HG21 VAL 11 1HG2 VAL 11 -0.032 -5.508 -3.307 74 HG22 VAL 11 2HG2 VAL 11 -1.003 -6.441 -4.445 75 HG23 VAL 11 3HG2 VAL 11 -1.267 -6.617 -2.709 76 H LEU 12 H LEU 12 -3.410 -2.484 -3.348 77 HA LEU 12 HA LEU 12 -2.062 0.058 -3.534 78 HB2 LEU 12 2HB LEU 12 -4.521 -0.831 -2.026 79 HB3 LEU 12 1HB LEU 12 -3.916 0.815 -2.010 80 HG LEU 12 HG LEU 12 -4.463 -0.430 -4.656 81 HD11 LEU 12 1HD1 LEU 12 -6.392 -0.848 -2.934 82 HD12 LEU 12 2HD1 LEU 12 -6.748 -0.269 -4.561 83 HD13 LEU 12 3HD1 LEU 12 -6.723 0.862 -3.209 84 HD21 LEU 12 1HD2 LEU 12 -3.718 1.693 -4.988 85 HD22 LEU 12 2HD2 LEU 12 -4.331 2.270 -3.438 86 HD23 LEU 12 3HD2 LEU 12 -5.437 2.037 -4.792 87 H ALA 13 H ALA 13 -0.977 1.151 -1.913 88 HA ALA 13 HA ALA 13 -0.677 -0.169 0.680 89 HB1 ALA 13 1HB ALA 13 1.201 -1.104 -0.268 90 HB2 ALA 13 2HB ALA 13 1.862 0.374 0.431 91 HB3 ALA 13 3HB ALA 13 1.511 0.295 -1.295 92 H GLN 14 H GLN 14 0.897 1.279 2.071 93 HA GLN 14 HA GLN 14 0.100 4.088 1.659 94 HB2 GLN 14 2HB GLN 14 0.191 4.227 4.206 95 HB3 GLN 14 1HB GLN 14 -1.168 3.360 3.506 96 HG2 GLN 14 2HG GLN 14 0.043 1.236 3.917 97 HG3 GLN 14 1HG GLN 14 1.298 2.160 4.741 98 HE21 GLN 14 1HE2 GLN 14 -2.226 1.749 4.758 99 HE22 GLN 14 2HE2 GLN 14 -2.396 1.801 6.477 100 H LEU 15 H LEU 15 1.541 5.694 2.566 101 HA LEU 15 HA LEU 15 4.338 4.777 2.552 102 HB2 LEU 15 2HB LEU 15 4.770 7.272 2.094 103 HB3 LEU 15 1HB LEU 15 4.142 6.278 0.794 104 HG LEU 15 HG LEU 15 1.877 7.148 1.234 105 HD11 LEU 15 1HD1 LEU 15 3.290 8.428 3.497 106 HD12 LEU 15 2HD1 LEU 15 1.640 7.813 3.387 107 HD13 LEU 15 3HD1 LEU 15 2.047 9.377 2.680 108 HD21 LEU 15 1HD2 LEU 15 4.163 8.857 0.457 109 HD22 LEU 15 2HD2 LEU 15 2.621 9.665 0.742 110 HD23 LEU 15 3HD2 LEU 15 2.734 8.383 -0.462 111 HA PRO 16 HA PRO 16 4.787 6.139 6.711 112 HB2 PRO 16 2HB PRO 16 7.438 6.398 6.875 113 HB3 PRO 16 1HB PRO 16 6.691 4.821 6.585 114 HG2 PRO 16 2HG PRO 16 7.972 6.695 4.633 115 HG3 PRO 16 1HG PRO 16 8.135 4.933 4.764 116 HD2 PRO 16 2HD PRO 16 6.463 6.199 2.987 117 HD3 PRO 16 1HD PRO 16 6.208 4.552 3.592 118 H GLY 17 H GLY 17 4.220 8.067 7.500 119 HA2 GLY 17 2HA GLY 17 5.669 10.283 7.850 120 HA3 GLY 17 1HA GLY 17 5.116 10.509 6.197
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