NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
624324 | 5ujg | 30232 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 H CYS 1 1.807 0.001 0.856 2 HA CYS 1 HA CYS 1 3.142 -0.006 -0.984 3 HB2 CYS 1 HB2 CYS 1 0.712 -1.288 -2.249 4 HB3 CYS 1 HB3 CYS 1 2.300 -1.199 -3.003 5 HA PRO 2 HA PRO 2 0.986 3.860 -2.461 6 HB2 PRO 2 HB2 PRO 2 2.954 5.558 -1.677 7 HB3 PRO 2 HB3 PRO 2 1.633 5.062 -0.613 8 HG2 PRO 2 HG2 PRO 2 4.439 4.028 -0.760 9 HG3 PRO 2 HG3 PRO 2 3.458 4.401 0.669 10 HD2 PRO 2 HD2 PRO 2 3.802 1.875 -0.241 11 HD3 PRO 2 HD3 PRO 2 2.308 2.406 0.557 12 H ASP 3 H ASP 3 4.421 2.961 -2.602 13 HA ASP 3 HA ASP 3 5.190 4.463 -4.801 14 HB2 ASP 3 HB2 ASP 3 6.141 1.932 -3.557 15 HB3 ASP 3 HB3 ASP 3 6.732 2.311 -5.172 16 HA PRO 4 HA PRO 4 3.310 2.740 -8.368 17 HB2 PRO 4 HB2 PRO 4 5.327 2.800 -10.184 18 HB3 PRO 4 HB3 PRO 4 4.503 4.257 -9.615 19 HG2 PRO 4 HG2 PRO 4 7.126 3.104 -8.749 20 HG3 PRO 4 HG3 PRO 4 6.698 4.795 -9.071 21 HD2 PRO 4 HD2 PRO 4 6.841 3.779 -6.565 22 HD3 PRO 4 HD3 PRO 4 5.701 5.066 -7.011 23 H VAL 5 H VAL 5 6.556 1.392 -7.785 24 HA VAL 5 HA VAL 5 6.269 -0.953 -9.271 25 HB VAL 5 HB VAL 5 7.882 -0.618 -6.739 26 HG11 VAL 5 HG11 VAL 5 7.632 -2.943 -7.436 27 HG12 VAL 5 HG12 VAL 5 8.201 -2.526 -9.054 28 HG13 VAL 5 HG13 VAL 5 9.289 -2.386 -7.672 29 HG21 VAL 5 HG21 VAL 5 9.746 -0.084 -8.307 30 HG22 VAL 5 HG22 VAL 5 8.561 0.008 -9.610 31 HG23 VAL 5 HG23 VAL 5 8.476 1.139 -8.259 32 H TYR 6 H TYR 6 5.292 -2.860 -8.928 33 HA TYR 6 HA TYR 6 3.765 -3.162 -6.440 34 HB2 TYR 6 HB2 TYR 6 3.431 -4.322 -9.200 35 HB3 TYR 6 HB3 TYR 6 2.576 -4.979 -7.809 36 HD1 TYR 6 HD1 TYR 6 1.106 -3.359 -6.459 37 HD2 TYR 6 HD2 TYR 6 2.557 -2.496 -10.365 38 HE1 TYR 6 HE1 TYR 6 -0.651 -1.659 -6.729 39 HE2 TYR 6 HE2 TYR 6 0.805 -0.793 -10.645 40 HH TYR 6 HH TYR 6 -0.946 0.473 -8.150 41 H THR 7 H THR 7 4.340 -4.625 -4.980 42 HA THR 7 HA THR 7 6.564 -6.395 -5.520 43 HB THR 7 HB THR 7 6.357 -7.012 -3.117 44 HG1 THR 7 HG1 THR 7 4.129 -6.668 -2.833 45 HG21 THR 7 HG21 THR 7 6.646 -4.173 -4.006 46 HG22 THR 7 HG22 THR 7 7.868 -5.287 -3.394 47 HG23 THR 7 HG23 THR 7 6.708 -4.554 -2.286 48 H CYS 8 H CYS 8 3.107 -6.640 -4.915 49 HA CYS 8 HA CYS 8 3.258 -9.560 -5.148 50 HB2 CYS 8 HB2 CYS 8 1.321 -7.661 -3.928 51 HB3 CYS 8 HB3 CYS 8 0.673 -9.156 -4.595 52 H ARG 9 H ARG 9 1.064 -10.400 -6.230 53 HA ARG 9 HA ARG 9 1.300 -9.777 -8.979 54 HB2 ARG 9 HB2 ARG 9 -0.477 -11.513 -7.332 55 HB3 ARG 9 HB3 ARG 9 -0.987 -11.131 -8.971 56 HG2 ARG 9 HG2 ARG 9 0.171 -13.036 -9.383 57 HG3 ARG 9 HG3 ARG 9 1.491 -11.873 -9.525 58 HD2 ARG 9 HD2 ARG 9 2.337 -13.576 -8.153 59 HD3 ARG 9 HD3 ARG 9 1.892 -12.282 -7.041 60 HE ARG 9 HE ARG 9 -0.275 -14.048 -7.313 61 HH11 ARG 9 HH11 ARG 9 2.929 -13.918 -5.957 62 HH12 ARG 9 HH12 ARG 9 2.588 -15.066 -4.706 63 HH21 ARG 9 HH21 ARG 9 -0.737 -15.561 -5.669 64 HH22 ARG 9 HH22 ARG 9 0.502 -16.001 -4.544 65 HA PRO 10 HA PRO 10 -1.556 -6.512 -9.632 66 HB2 PRO 10 HB2 PRO 10 -2.752 -7.233 -11.960 67 HB3 PRO 10 HB3 PRO 10 -1.079 -6.668 -11.874 68 HG2 PRO 10 HG2 PRO 10 -2.127 -9.467 -12.036 69 HG3 PRO 10 HG3 PRO 10 -0.758 -8.734 -12.891 70 HD2 PRO 10 HD2 PRO 10 -0.440 -10.306 -10.709 71 HD3 PRO 10 HD3 PRO 10 0.653 -8.958 -11.083 72 H GLY 11 H GLY 11 -3.771 -5.896 -9.592 73 HA2 GLY 11 HA2 GLY 11 -6.073 -6.240 -9.365 74 HA3 GLY 11 HA3 GLY 11 -5.791 -7.975 -9.367 75 H GLN 12 H GLN 12 -4.062 -8.348 -7.318 76 HA GLN 12 HA GLN 12 -5.749 -8.223 -5.062 77 HB2 GLN 12 HB2 GLN 12 -2.947 -9.076 -5.582 78 HB3 GLN 12 HB3 GLN 12 -3.401 -8.764 -3.912 79 HG2 GLN 12 HG2 GLN 12 -5.167 -10.495 -5.558 80 HG3 GLN 12 HG3 GLN 12 -3.635 -11.152 -4.983 81 HE21 GLN 12 HE21 GLN 12 -3.544 -11.926 -2.985 82 HE22 GLN 12 HE22 GLN 12 -4.760 -11.724 -1.775 83 H THR 13 H THR 13 -5.787 -6.901 -3.297 84 HA THR 13 HA THR 13 -4.540 -4.299 -3.621 85 HB THR 13 HB THR 13 -6.890 -4.361 -2.973 86 HG1 THR 13 HG1 THR 13 -5.297 -3.476 -0.781 87 HG21 THR 13 HG21 THR 13 -7.723 -5.727 -1.412 88 HG22 THR 13 HG22 THR 13 -6.527 -5.210 -0.224 89 HG23 THR 13 HG23 THR 13 -6.138 -6.497 -1.366 90 H CYS 14 H CYS 14 -3.109 -3.352 -2.191 91 HA CYS 14 HA CYS 14 -1.537 -5.218 -0.609 92 HB2 CYS 14 HB2 CYS 14 -0.320 -3.715 -2.070 93 HB3 CYS 14 HB3 CYS 14 -1.094 -2.316 -1.334 94 H CYS 15 H CYS 15 -1.638 -5.395 1.532 95 HA CYS 15 HA CYS 15 -3.005 -3.266 3.044 96 HB2 CYS 15 HB2 CYS 15 -3.660 -5.141 4.636 97 HB3 CYS 15 HB3 CYS 15 -4.476 -5.123 3.076 98 H ARG 16 H ARG 16 -2.124 -2.622 4.973 99 HA ARG 16 HA ARG 16 0.613 -3.544 5.474 100 HB2 ARG 16 HB2 ARG 16 0.023 -1.078 5.120 101 HB3 ARG 16 HB3 ARG 16 -0.714 -1.142 6.715 102 HG2 ARG 16 HG2 ARG 16 1.656 -2.144 7.354 103 HG3 ARG 16 HG3 ARG 16 2.142 -1.212 5.936 104 HD2 ARG 16 HD2 ARG 16 0.566 -0.088 8.246 105 HD3 ARG 16 HD3 ARG 16 2.319 0.025 8.097 106 HE ARG 16 HE ARG 16 0.882 1.042 5.821 107 HH11 ARG 16 HH11 ARG 16 2.183 1.783 8.964 108 HH12 ARG 16 HH12 ARG 16 2.304 3.484 8.657 109 HH21 ARG 16 HH21 ARG 16 1.036 3.279 5.405 110 HH22 ARG 16 HH22 ARG 16 1.650 4.334 6.633 111 H GLY 17 H GLY 17 -1.584 -5.181 6.292 112 HA2 GLY 17 HA2 GLY 17 -2.218 -4.826 9.029 113 HA3 GLY 17 HA3 GLY 17 -2.373 -6.324 8.122 114 H LEU 18 H LEU 18 -0.476 -7.681 7.909 115 HA LEU 18 HA LEU 18 0.798 -8.217 10.297 116 HB2 LEU 18 HB2 LEU 18 1.555 -8.862 7.463 117 HB3 LEU 18 HB3 LEU 18 2.489 -9.446 8.839 118 HG LEU 18 HG LEU 18 -0.404 -10.083 8.261 119 HD11 LEU 18 HD11 LEU 18 1.706 -12.155 8.349 120 HD12 LEU 18 HD12 LEU 18 1.673 -11.101 6.935 121 HD13 LEU 18 HD13 LEU 18 0.250 -12.054 7.357 122 HD21 LEU 18 HD21 LEU 18 0.541 -11.872 10.125 123 HD22 LEU 18 HD22 LEU 18 -0.509 -10.493 10.452 124 HD23 LEU 18 HD23 LEU 18 1.237 -10.339 10.652 125 H HIS 19 H HIS 19 3.173 -8.169 10.735 126 HA HIS 19 HA HIS 19 4.133 -5.595 10.962 127 HB2 HIS 19 HB2 HIS 19 6.274 -6.566 11.552 128 HB3 HIS 19 HB3 HIS 19 4.984 -7.553 12.233 129 HD1 HIS 19 HD1 HIS 19 7.788 -7.640 9.803 130 HD2 HIS 19 HD2 HIS 19 4.687 -10.108 11.048 131 HE1 HIS 19 HE1 HIS 19 8.334 -9.918 8.888 132 H GLY 20 H GLY 20 4.576 -7.892 8.337 133 HA2 GLY 20 HA2 GLY 20 6.223 -5.909 6.909 134 HA3 GLY 20 HA3 GLY 20 6.165 -7.627 6.545 135 H TYR 21 H TYR 21 5.631 -5.075 4.969 136 HA TYR 21 HA TYR 21 2.969 -4.775 4.312 137 HB2 TYR 21 HB2 TYR 21 5.532 -4.350 2.863 138 HB3 TYR 21 HB3 TYR 21 4.054 -4.342 1.907 139 HD1 TYR 21 HD1 TYR 21 2.196 -2.734 2.603 140 HD2 TYR 21 HD2 TYR 21 6.176 -2.454 4.079 141 HE1 TYR 21 HE1 TYR 21 1.784 -0.398 3.252 142 HE2 TYR 21 HE2 TYR 21 5.776 -0.118 4.733 143 HH TYR 21 HH TYR 21 4.361 1.669 4.404 144 H GLY 22 H GLY 22 1.482 -6.028 3.394 145 HA2 GLY 22 HA2 GLY 22 2.377 -8.245 1.671 146 HA3 GLY 22 HA3 GLY 22 1.245 -8.548 2.981 147 H CYS 23 H CYS 23 0.358 -9.329 0.646 148 HA CYS 23 HA CYS 23 -1.449 -7.186 -0.264 149 HB2 CYS 23 HB2 CYS 23 -1.584 -8.519 -2.413 150 HB3 CYS 23 HB3 CYS 23 -0.037 -7.741 -2.098 151 H CYS 24 H CYS 24 -3.446 -7.480 0.448 152 HA CYS 24 HA CYS 24 -4.652 -10.131 0.283 153 HB2 CYS 24 HB2 CYS 24 -5.487 -10.104 2.540 154 HB3 CYS 24 HB3 CYS 24 -3.742 -9.881 2.600 Start of MODEL 2 1 H1 CYS 1 H CYS 1 -1.460 1.237 -1.731 2 HA CYS 1 HA CYS 1 0.923 1.384 -0.297 3 HB2 CYS 1 HB2 CYS 1 0.539 -1.208 -1.800 4 HB3 CYS 1 HB3 CYS 1 2.121 -0.591 -1.333 5 HA PRO 2 HA PRO 2 0.724 3.224 -4.574 6 HB2 PRO 2 HB2 PRO 2 1.212 5.769 -3.767 7 HB3 PRO 2 HB3 PRO 2 -0.413 5.077 -3.832 8 HG2 PRO 2 HG2 PRO 2 1.408 5.416 -1.481 9 HG3 PRO 2 HG3 PRO 2 -0.335 5.718 -1.598 10 HD2 PRO 2 HD2 PRO 2 0.682 3.470 -0.483 11 HD3 PRO 2 HD3 PRO 2 -0.865 3.488 -1.353 12 H ASP 3 H ASP 3 2.681 2.107 -5.015 13 HA ASP 3 HA ASP 3 5.076 3.743 -4.545 14 HB2 ASP 3 HB2 ASP 3 4.663 0.857 -3.920 15 HB3 ASP 3 HB3 ASP 3 6.236 1.348 -4.545 16 HA PRO 4 HA PRO 4 5.944 3.296 -8.820 17 HB2 PRO 4 HB2 PRO 4 8.648 3.062 -8.851 18 HB3 PRO 4 HB3 PRO 4 7.819 4.578 -8.478 19 HG2 PRO 4 HG2 PRO 4 9.016 2.565 -6.613 20 HG3 PRO 4 HG3 PRO 4 9.104 4.335 -6.555 21 HD2 PRO 4 HD2 PRO 4 7.399 2.911 -5.008 22 HD3 PRO 4 HD3 PRO 4 7.011 4.535 -5.611 23 H VAL 5 H VAL 5 7.791 0.970 -6.849 24 HA VAL 5 HA VAL 5 7.697 -0.966 -9.037 25 HB VAL 5 HB VAL 5 9.080 -1.210 -6.363 26 HG11 VAL 5 HG11 VAL 5 10.317 -3.024 -7.409 27 HG12 VAL 5 HG12 VAL 5 8.583 -3.349 -7.459 28 HG13 VAL 5 HG13 VAL 5 9.419 -2.791 -8.909 29 HG21 VAL 5 HG21 VAL 5 10.351 0.446 -7.247 30 HG22 VAL 5 HG22 VAL 5 11.095 -0.908 -8.097 31 HG23 VAL 5 HG23 VAL 5 9.876 0.078 -8.905 32 H TYR 6 H TYR 6 6.468 -2.759 -9.026 33 HA TYR 6 HA TYR 6 4.521 -3.041 -6.880 34 HB2 TYR 6 HB2 TYR 6 4.718 -4.566 -9.485 35 HB3 TYR 6 HB3 TYR 6 3.346 -4.544 -8.382 36 HD1 TYR 6 HD1 TYR 6 2.136 -2.327 -8.029 37 HD2 TYR 6 HD2 TYR 6 4.903 -2.973 -11.196 38 HE1 TYR 6 HE1 TYR 6 1.187 -0.409 -9.241 39 HE2 TYR 6 HE2 TYR 6 3.963 -1.056 -12.416 40 HH TYR 6 HH TYR 6 2.303 1.272 -11.187 41 H THR 7 H THR 7 4.285 -4.835 -5.598 42 HA THR 7 HA THR 7 6.540 -6.728 -5.633 43 HB THR 7 HB THR 7 5.876 -7.160 -3.219 44 HG1 THR 7 HG1 THR 7 4.595 -4.645 -3.340 45 HG21 THR 7 HG21 THR 7 6.671 -4.583 -2.707 46 HG22 THR 7 HG22 THR 7 7.231 -4.834 -4.360 47 HG23 THR 7 HG23 THR 7 7.747 -5.929 -3.078 48 H CYS 8 H CYS 8 3.173 -6.706 -4.444 49 HA CYS 8 HA CYS 8 2.920 -9.535 -4.956 50 HB2 CYS 8 HB2 CYS 8 1.253 -7.430 -3.666 51 HB3 CYS 8 HB3 CYS 8 0.429 -8.857 -4.286 52 H ARG 9 H ARG 9 0.612 -10.123 -5.949 53 HA ARG 9 HA ARG 9 0.775 -9.314 -8.699 54 HB2 ARG 9 HB2 ARG 9 -0.765 -11.320 -7.136 55 HB3 ARG 9 HB3 ARG 9 -1.455 -10.793 -8.665 56 HG2 ARG 9 HG2 ARG 9 0.689 -11.402 -9.770 57 HG3 ARG 9 HG3 ARG 9 1.233 -12.073 -8.231 58 HD2 ARG 9 HD2 ARG 9 0.377 -13.867 -9.556 59 HD3 ARG 9 HD3 ARG 9 -0.771 -13.557 -8.254 60 HE ARG 9 HE ARG 9 -1.544 -12.078 -10.505 61 HH11 ARG 9 HH11 ARG 9 -1.317 -15.383 -9.436 62 HH12 ARG 9 HH12 ARG 9 -2.621 -15.933 -10.436 63 HH21 ARG 9 HH21 ARG 9 -3.262 -12.790 -11.826 64 HH22 ARG 9 HH22 ARG 9 -3.725 -14.457 -11.795 65 HA PRO 10 HA PRO 10 -2.288 -6.180 -8.881 66 HB2 PRO 10 HB2 PRO 10 -3.575 -6.748 -11.203 67 HB3 PRO 10 HB3 PRO 10 -1.934 -6.094 -11.149 68 HG2 PRO 10 HG2 PRO 10 -2.834 -8.924 -11.529 69 HG3 PRO 10 HG3 PRO 10 -1.558 -8.032 -12.378 70 HD2 PRO 10 HD2 PRO 10 -1.031 -9.781 -10.380 71 HD3 PRO 10 HD3 PRO 10 -0.035 -8.341 -10.676 72 H GLY 11 H GLY 11 -4.561 -5.708 -8.762 73 HA2 GLY 11 HA2 GLY 11 -6.821 -6.234 -8.464 74 HA3 GLY 11 HA3 GLY 11 -6.414 -7.941 -8.564 75 H GLN 12 H GLN 12 -4.577 -8.281 -6.605 76 HA GLN 12 HA GLN 12 -6.173 -8.380 -4.281 77 HB2 GLN 12 HB2 GLN 12 -3.357 -9.032 -4.965 78 HB3 GLN 12 HB3 GLN 12 -3.734 -8.807 -3.263 79 HG2 GLN 12 HG2 GLN 12 -5.689 -10.454 -3.771 80 HG3 GLN 12 HG3 GLN 12 -4.693 -10.897 -5.156 81 HE21 GLN 12 HE21 GLN 12 -5.076 -11.051 -1.741 82 HE22 GLN 12 HE22 GLN 12 -3.741 -12.098 -1.418 83 H THR 13 H THR 13 -5.968 -7.285 -2.302 84 HA THR 13 HA THR 13 -5.102 -4.521 -2.593 85 HB THR 13 HB THR 13 -7.296 -4.837 -1.638 86 HG1 THR 13 HG1 THR 13 -5.548 -4.118 0.491 87 HG21 THR 13 HG21 THR 13 -5.882 -6.528 0.424 88 HG22 THR 13 HG22 THR 13 -7.116 -7.050 -0.724 89 HG23 THR 13 HG23 THR 13 -7.540 -5.950 0.588 90 H CYS 14 H CYS 14 -3.448 -3.585 -1.509 91 HA CYS 14 HA CYS 14 -1.592 -5.361 -0.146 92 HB2 CYS 14 HB2 CYS 14 -0.726 -3.820 -1.848 93 HB3 CYS 14 HB3 CYS 14 -1.327 -2.448 -0.922 94 H CYS 15 H CYS 15 -1.343 -5.473 1.988 95 HA CYS 15 HA CYS 15 -2.488 -3.321 3.644 96 HB2 CYS 15 HB2 CYS 15 -2.930 -5.162 5.347 97 HB3 CYS 15 HB3 CYS 15 -3.965 -5.151 3.922 98 H ARG 16 H ARG 16 -1.424 -2.849 5.598 99 HA ARG 16 HA ARG 16 1.355 -3.821 5.705 100 HB2 ARG 16 HB2 ARG 16 1.797 -1.657 6.937 101 HB3 ARG 16 HB3 ARG 16 1.387 -1.495 5.235 102 HG2 ARG 16 HG2 ARG 16 -0.861 -1.346 7.139 103 HG3 ARG 16 HG3 ARG 16 0.289 -0.008 7.167 104 HD2 ARG 16 HD2 ARG 16 -0.261 0.688 5.066 105 HD3 ARG 16 HD3 ARG 16 -0.675 -0.936 4.520 106 HE ARG 16 HE ARG 16 -2.539 -0.045 6.449 107 HH11 ARG 16 HH11 ARG 16 -1.597 0.429 3.131 108 HH12 ARG 16 HH12 ARG 16 -3.179 0.911 2.614 109 HH21 ARG 16 HH21 ARG 16 -4.626 0.588 5.781 110 HH22 ARG 16 HH22 ARG 16 -4.901 1.002 4.123 111 H GLY 17 H GLY 17 -0.749 -5.270 6.912 112 HA2 GLY 17 HA2 GLY 17 -0.959 -4.631 9.691 113 HA3 GLY 17 HA3 GLY 17 -1.451 -6.136 8.930 114 H LEU 18 H LEU 18 0.541 -7.473 8.144 115 HA LEU 18 HA LEU 18 1.939 -8.310 10.413 116 HB2 LEU 18 HB2 LEU 18 2.579 -8.743 7.500 117 HB3 LEU 18 HB3 LEU 18 3.326 -9.618 8.835 118 HG LEU 18 HG LEU 18 0.392 -9.703 8.136 119 HD11 LEU 18 HD11 LEU 18 0.742 -11.537 6.872 120 HD12 LEU 18 HD12 LEU 18 2.101 -12.088 7.851 121 HD13 LEU 18 HD13 LEU 18 2.337 -10.815 6.653 122 HD21 LEU 18 HD21 LEU 18 0.366 -10.278 10.337 123 HD22 LEU 18 HD22 LEU 18 2.042 -10.828 10.331 124 HD23 LEU 18 HD23 LEU 18 0.775 -11.850 9.649 125 H HIS 19 H HIS 19 4.344 -8.411 10.619 126 HA HIS 19 HA HIS 19 5.463 -5.913 10.939 127 HB2 HIS 19 HB2 HIS 19 6.542 -8.679 10.816 128 HB3 HIS 19 HB3 HIS 19 7.703 -7.362 10.671 129 HD1 HIS 19 HD1 HIS 19 8.739 -6.943 12.864 130 HD2 HIS 19 HD2 HIS 19 4.714 -7.907 13.230 131 HE1 HIS 19 HE1 HIS 19 8.236 -6.809 15.325 132 H GLY 20 H GLY 20 5.527 -8.013 8.120 133 HA2 GLY 20 HA2 GLY 20 7.062 -5.944 6.677 134 HA3 GLY 20 HA3 GLY 20 7.033 -7.646 6.241 135 H TYR 21 H TYR 21 6.264 -5.009 4.873 136 HA TYR 21 HA TYR 21 3.548 -4.828 4.426 137 HB2 TYR 21 HB2 TYR 21 5.926 -4.258 2.683 138 HB3 TYR 21 HB3 TYR 21 4.293 -4.048 2.061 139 HD1 TYR 21 HD1 TYR 21 6.874 -2.702 4.228 140 HD2 TYR 21 HD2 TYR 21 2.789 -2.363 3.086 141 HE1 TYR 21 HE1 TYR 21 6.779 -0.469 5.253 142 HE2 TYR 21 HE2 TYR 21 2.683 -0.128 4.107 143 HH TYR 21 HH TYR 21 5.436 1.596 5.047 144 H GLY 22 H GLY 22 2.066 -6.074 3.484 145 HA2 GLY 22 HA2 GLY 22 2.871 -7.994 1.430 146 HA3 GLY 22 HA3 GLY 22 2.131 -8.643 2.886 147 H CYS 23 H CYS 23 0.844 -9.275 0.696 148 HA CYS 23 HA CYS 23 -1.366 -7.342 0.454 149 HB2 CYS 23 HB2 CYS 23 -1.878 -8.515 -1.701 150 HB3 CYS 23 HB3 CYS 23 -0.325 -7.687 -1.684 151 H CYS 24 H CYS 24 -3.298 -7.907 1.213 152 HA CYS 24 HA CYS 24 -3.908 -10.758 1.574 153 HB2 CYS 24 HB2 CYS 24 -4.960 -10.227 3.760 154 HB3 CYS 24 HB3 CYS 24 -3.221 -9.952 3.754 Start of MODEL 3 1 H1 CYS 1 H CYS 1 -2.299 1.000 -3.925 2 HA CYS 1 HA CYS 1 -1.276 1.100 -1.178 3 HB2 CYS 1 HB2 CYS 1 -2.382 -1.166 -1.907 4 HB3 CYS 1 HB3 CYS 1 -0.877 -1.392 -2.792 5 HA PRO 2 HA PRO 2 1.840 2.439 -4.361 6 HB2 PRO 2 HB2 PRO 2 2.563 4.702 -3.048 7 HB3 PRO 2 HB3 PRO 2 1.207 4.640 -4.180 8 HG2 PRO 2 HG2 PRO 2 1.184 4.524 -1.189 9 HG3 PRO 2 HG3 PRO 2 0.115 5.422 -2.282 10 HD2 PRO 2 HD2 PRO 2 -0.609 3.077 -1.138 11 HD3 PRO 2 HD3 PRO 2 -1.175 3.569 -2.747 12 H ASP 3 H ASP 3 4.023 2.120 -4.222 13 HA ASP 3 HA ASP 3 5.587 2.312 -1.910 14 HB2 ASP 3 HB2 ASP 3 5.967 -0.305 -1.803 15 HB3 ASP 3 HB3 ASP 3 4.694 0.469 -0.863 16 HA PRO 4 HA PRO 4 8.809 1.904 -4.855 17 HB2 PRO 4 HB2 PRO 4 10.824 0.845 -3.375 18 HB3 PRO 4 HB3 PRO 4 10.275 2.515 -3.195 19 HG2 PRO 4 HG2 PRO 4 9.606 0.114 -1.539 20 HG3 PRO 4 HG3 PRO 4 9.999 1.761 -1.013 21 HD2 PRO 4 HD2 PRO 4 7.456 0.838 -1.136 22 HD3 PRO 4 HD3 PRO 4 7.870 2.538 -1.437 23 H VAL 5 H VAL 5 8.448 -1.003 -2.830 24 HA VAL 5 HA VAL 5 9.622 -2.739 -4.781 25 HB VAL 5 HB VAL 5 9.655 -3.222 -2.342 26 HG11 VAL 5 HG11 VAL 5 6.760 -3.981 -2.680 27 HG12 VAL 5 HG12 VAL 5 7.718 -4.011 -1.198 28 HG13 VAL 5 HG13 VAL 5 7.298 -2.470 -1.948 29 HG21 VAL 5 HG21 VAL 5 9.860 -5.421 -2.760 30 HG22 VAL 5 HG22 VAL 5 8.218 -5.557 -3.389 31 HG23 VAL 5 HG23 VAL 5 9.512 -4.960 -4.427 32 H TYR 6 H TYR 6 8.593 -4.318 -6.040 33 HA TYR 6 HA TYR 6 6.103 -3.506 -7.167 34 HB2 TYR 6 HB2 TYR 6 7.872 -5.910 -7.602 35 HB3 TYR 6 HB3 TYR 6 6.355 -5.687 -8.466 36 HD1 TYR 6 HD1 TYR 6 6.196 -4.187 -10.302 37 HD2 TYR 6 HD2 TYR 6 9.727 -4.272 -7.929 38 HE1 TYR 6 HE1 TYR 6 7.348 -2.801 -11.976 39 HE2 TYR 6 HE2 TYR 6 10.888 -2.886 -9.596 40 HH TYR 6 HH TYR 6 10.418 -2.538 -12.347 41 H THR 7 H THR 7 4.191 -3.860 -6.275 42 HA THR 7 HA THR 7 3.759 -5.752 -4.197 43 HB THR 7 HB THR 7 1.281 -5.164 -4.662 44 HG1 THR 7 HG1 THR 7 1.538 -4.326 -6.753 45 HG21 THR 7 HG21 THR 7 2.876 -4.180 -2.910 46 HG22 THR 7 HG22 THR 7 1.448 -3.234 -3.334 47 HG23 THR 7 HG23 THR 7 3.022 -2.804 -4.003 48 H CYS 8 H CYS 8 1.638 -7.168 -4.440 49 HA CYS 8 HA CYS 8 2.294 -9.221 -6.301 50 HB2 CYS 8 HB2 CYS 8 -0.119 -8.857 -4.513 51 HB3 CYS 8 HB3 CYS 8 0.224 -10.316 -5.436 52 H ARG 9 H ARG 9 0.096 -10.223 -7.388 53 HA ARG 9 HA ARG 9 -0.353 -8.632 -9.654 54 HB2 ARG 9 HB2 ARG 9 -1.512 -11.155 -8.573 55 HB3 ARG 9 HB3 ARG 9 -2.392 -10.332 -9.854 56 HG2 ARG 9 HG2 ARG 9 -0.291 -10.370 -11.208 57 HG3 ARG 9 HG3 ARG 9 0.420 -11.391 -9.956 58 HD2 ARG 9 HD2 ARG 9 -0.398 -12.814 -11.694 59 HD3 ARG 9 HD3 ARG 9 -1.458 -12.994 -10.297 60 HE ARG 9 HE ARG 9 -2.490 -11.020 -12.022 61 HH11 ARG 9 HH11 ARG 9 -2.036 -14.466 -11.813 62 HH12 ARG 9 HH12 ARG 9 -3.396 -14.837 -12.820 63 HH21 ARG 9 HH21 ARG 9 -4.283 -11.497 -13.350 64 HH22 ARG 9 HH22 ARG 9 -4.672 -13.148 -13.695 65 HA PRO 10 HA PRO 10 -3.703 -5.984 -8.649 66 HB2 PRO 10 HB2 PRO 10 -5.216 -6.067 -10.902 67 HB3 PRO 10 HB3 PRO 10 -3.652 -5.248 -10.825 68 HG2 PRO 10 HG2 PRO 10 -4.316 -7.962 -11.898 69 HG3 PRO 10 HG3 PRO 10 -3.252 -6.719 -12.581 70 HD2 PRO 10 HD2 PRO 10 -2.306 -8.858 -11.216 71 HD3 PRO 10 HD3 PRO 10 -1.501 -7.276 -11.189 72 H GLY 11 H GLY 11 -6.110 -5.831 -8.490 73 HA2 GLY 11 HA2 GLY 11 -8.232 -6.770 -8.192 74 HA3 GLY 11 HA3 GLY 11 -7.555 -8.354 -8.543 75 H GLN 12 H GLN 12 -5.591 -8.652 -6.718 76 HA GLN 12 HA GLN 12 -7.016 -9.310 -4.374 77 HB2 GLN 12 HB2 GLN 12 -4.790 -10.274 -5.370 78 HB3 GLN 12 HB3 GLN 12 -4.035 -9.034 -4.378 79 HG2 GLN 12 HG2 GLN 12 -4.006 -10.908 -3.021 80 HG3 GLN 12 HG3 GLN 12 -5.414 -10.013 -2.453 81 HE21 GLN 12 HE21 GLN 12 -4.539 -12.508 -4.816 82 HE22 GLN 12 HE22 GLN 12 -5.949 -13.477 -4.572 83 H THR 13 H THR 13 -6.804 -8.489 -2.249 84 HA THR 13 HA THR 13 -6.579 -5.609 -2.166 85 HB THR 13 HB THR 13 -8.403 -6.642 -0.945 86 HG1 THR 13 HG1 THR 13 -7.264 -4.739 -0.068 87 HG21 THR 13 HG21 THR 13 -7.864 -7.972 1.130 88 HG22 THR 13 HG22 THR 13 -6.209 -8.088 0.532 89 HG23 THR 13 HG23 THR 13 -7.533 -8.790 -0.396 90 H CYS 14 H CYS 14 -5.107 -4.409 -0.999 91 HA CYS 14 HA CYS 14 -2.607 -5.784 -0.376 92 HB2 CYS 14 HB2 CYS 14 -2.704 -3.718 -1.847 93 HB3 CYS 14 HB3 CYS 14 -3.104 -2.806 -0.395 94 H CYS 15 H CYS 15 -1.533 -5.572 1.601 95 HA CYS 15 HA CYS 15 -3.120 -4.471 3.821 96 HB2 CYS 15 HB2 CYS 15 -2.298 -6.404 5.211 97 HB3 CYS 15 HB3 CYS 15 -3.454 -6.835 3.956 98 H ARG 16 H ARG 16 -1.984 -3.462 5.434 99 HA ARG 16 HA ARG 16 0.902 -3.135 4.949 100 HB2 ARG 16 HB2 ARG 16 0.705 -0.955 6.045 101 HB3 ARG 16 HB3 ARG 16 -0.384 -1.072 4.669 102 HG2 ARG 16 HG2 ARG 16 -2.269 -1.405 6.111 103 HG3 ARG 16 HG3 ARG 16 -1.220 -1.505 7.527 104 HD2 ARG 16 HD2 ARG 16 -0.820 0.753 7.560 105 HD3 ARG 16 HD3 ARG 16 -1.089 0.934 5.827 106 HE ARG 16 HE ARG 16 -3.534 0.254 6.833 107 HH11 ARG 16 HH11 ARG 16 -1.215 2.768 7.482 108 HH12 ARG 16 HH12 ARG 16 -2.410 3.925 7.967 109 HH21 ARG 16 HH21 ARG 16 -5.117 1.768 7.469 110 HH22 ARG 16 HH22 ARG 16 -4.629 3.355 7.960 111 H GLY 17 H GLY 17 -0.101 -5.338 6.425 112 HA2 GLY 17 HA2 GLY 17 0.012 -4.821 9.231 113 HA3 GLY 17 HA3 GLY 17 0.082 -6.400 8.461 114 H LEU 18 H LEU 18 2.173 -7.053 7.533 115 HA LEU 18 HA LEU 18 4.235 -6.945 9.362 116 HB2 LEU 18 HB2 LEU 18 4.309 -7.461 6.398 117 HB3 LEU 18 HB3 LEU 18 5.696 -7.697 7.459 118 HG LEU 18 HG LEU 18 3.072 -9.156 7.747 119 HD11 LEU 18 HD11 LEU 18 5.557 -10.469 6.776 120 HD12 LEU 18 HD12 LEU 18 4.593 -9.532 5.633 121 HD13 LEU 18 HD13 LEU 18 3.868 -10.891 6.493 122 HD21 LEU 18 HD21 LEU 18 5.682 -9.195 9.182 123 HD22 LEU 18 HD22 LEU 18 4.779 -10.700 9.013 124 HD23 LEU 18 HD23 LEU 18 4.041 -9.314 9.818 125 H HIS 19 H HIS 19 6.455 -6.063 9.022 126 HA HIS 19 HA HIS 19 6.484 -3.303 9.012 127 HB2 HIS 19 HB2 HIS 19 8.792 -5.102 8.246 128 HB3 HIS 19 HB3 HIS 19 8.910 -3.451 8.847 129 HD1 HIS 19 HD1 HIS 19 9.249 -6.786 9.981 130 HD2 HIS 19 HD2 HIS 19 7.601 -3.331 11.596 131 HE1 HIS 19 HE1 HIS 19 9.148 -7.186 12.461 132 H GLY 20 H GLY 20 6.895 -5.533 6.323 133 HA2 GLY 20 HA2 GLY 20 7.230 -3.239 4.504 134 HA3 GLY 20 HA3 GLY 20 7.674 -4.898 4.132 135 H TYR 21 H TYR 21 5.805 -2.798 2.909 136 HA TYR 21 HA TYR 21 3.151 -3.542 3.114 137 HB2 TYR 21 HB2 TYR 21 4.740 -2.457 0.796 138 HB3 TYR 21 HB3 TYR 21 3.009 -2.750 0.678 139 HD1 TYR 21 HD1 TYR 21 5.601 -0.757 2.390 140 HD2 TYR 21 HD2 TYR 21 1.436 -1.271 1.691 141 HE1 TYR 21 HE1 TYR 21 5.167 1.448 3.390 142 HE2 TYR 21 HE2 TYR 21 0.990 0.933 2.687 143 HH TYR 21 HH TYR 21 1.978 2.527 4.145 144 H GLY 22 H GLY 22 1.944 -5.213 2.438 145 HA2 GLY 22 HA2 GLY 22 3.043 -7.042 0.423 146 HA3 GLY 22 HA3 GLY 22 2.602 -7.698 1.992 147 H CYS 23 H CYS 23 1.408 -8.772 -0.155 148 HA CYS 23 HA CYS 23 -1.207 -7.478 -0.428 149 HB2 CYS 23 HB2 CYS 23 -1.588 -9.059 -2.268 150 HB3 CYS 23 HB3 CYS 23 -0.095 -8.155 -2.505 151 H CYS 24 H CYS 24 -3.091 -8.412 0.241 152 HA CYS 24 HA CYS 24 -2.946 -11.045 1.528 153 HB2 CYS 24 HB2 CYS 24 -4.028 -8.509 2.759 154 HB3 CYS 24 HB3 CYS 24 -4.418 -10.113 3.370 Start of MODEL 4 1 H1 CYS 1 H CYS 1 -1.352 -0.493 -1.777 2 HA CYS 1 HA CYS 1 1.389 0.448 -1.320 3 HB2 CYS 1 HB2 CYS 1 0.204 -1.936 -2.684 4 HB3 CYS 1 HB3 CYS 1 1.789 -1.365 -3.194 5 HA PRO 2 HA PRO 2 -0.100 3.007 -4.898 6 HB2 PRO 2 HB2 PRO 2 1.001 5.321 -4.002 7 HB3 PRO 2 HB3 PRO 2 -0.609 4.773 -3.519 8 HG2 PRO 2 HG2 PRO 2 1.989 4.545 -2.050 9 HG3 PRO 2 HG3 PRO 2 0.389 4.990 -1.430 10 HD2 PRO 2 HD2 PRO 2 1.429 2.508 -1.128 11 HD3 PRO 2 HD3 PRO 2 -0.313 2.798 -1.309 12 H ASP 3 H ASP 3 3.006 2.822 -3.231 13 HA ASP 3 HA ASP 3 4.676 3.988 -5.094 14 HB2 ASP 3 HB2 ASP 3 5.016 1.854 -3.044 15 HB3 ASP 3 HB3 ASP 3 6.302 2.060 -4.230 16 HA PRO 4 HA PRO 4 4.828 1.431 -8.654 17 HB2 PRO 4 HB2 PRO 4 7.467 1.464 -9.290 18 HB3 PRO 4 HB3 PRO 4 6.411 2.865 -9.502 19 HG2 PRO 4 HG2 PRO 4 8.334 2.260 -7.289 20 HG3 PRO 4 HG3 PRO 4 8.045 3.793 -8.132 21 HD2 PRO 4 HD2 PRO 4 7.000 3.253 -5.693 22 HD3 PRO 4 HD3 PRO 4 6.166 4.270 -6.886 23 H VAL 5 H VAL 5 7.148 0.643 -6.111 24 HA VAL 5 HA VAL 5 8.020 -1.840 -6.996 25 HB VAL 5 HB VAL 5 8.381 -2.388 -4.584 26 HG11 VAL 5 HG11 VAL 5 9.345 0.401 -4.951 27 HG12 VAL 5 HG12 VAL 5 10.223 -1.042 -4.442 28 HG13 VAL 5 HG13 VAL 5 9.815 -0.811 -6.143 29 HG21 VAL 5 HG21 VAL 5 7.892 0.145 -3.436 30 HG22 VAL 5 HG22 VAL 5 6.408 -0.351 -4.249 31 HG23 VAL 5 HG23 VAL 5 7.138 -1.397 -3.031 32 H TYR 6 H TYR 6 6.983 -3.670 -7.396 33 HA TYR 6 HA TYR 6 4.371 -4.120 -6.116 34 HB2 TYR 6 HB2 TYR 6 5.489 -5.079 -8.751 35 HB3 TYR 6 HB3 TYR 6 4.013 -5.728 -8.046 36 HD1 TYR 6 HD1 TYR 6 2.592 -3.451 -7.039 37 HD2 TYR 6 HD2 TYR 6 4.945 -3.766 -10.570 38 HE1 TYR 6 HE1 TYR 6 1.298 -1.624 -8.057 39 HE2 TYR 6 HE2 TYR 6 3.659 -1.939 -11.598 40 HH TYR 6 HH TYR 6 1.538 -0.839 -11.393 41 H THR 7 H THR 7 4.227 -5.684 -4.662 42 HA THR 7 HA THR 7 6.402 -7.644 -4.475 43 HB THR 7 HB THR 7 5.383 -8.128 -2.200 44 HG1 THR 7 HG1 THR 7 4.124 -5.617 -2.415 45 HG21 THR 7 HG21 THR 7 6.244 -5.946 -1.220 46 HG22 THR 7 HG22 THR 7 6.524 -5.427 -2.882 47 HG23 THR 7 HG23 THR 7 7.365 -6.840 -2.246 48 H CYS 8 H CYS 8 2.893 -7.380 -4.701 49 HA CYS 8 HA CYS 8 2.781 -10.276 -5.237 50 HB2 CYS 8 HB2 CYS 8 0.873 -8.491 -3.748 51 HB3 CYS 8 HB3 CYS 8 0.321 -9.996 -4.477 52 H ARG 9 H ARG 9 0.622 -10.785 -6.459 53 HA ARG 9 HA ARG 9 0.819 -9.602 -9.005 54 HB2 ARG 9 HB2 ARG 9 -1.122 -11.481 -7.710 55 HB3 ARG 9 HB3 ARG 9 -1.490 -10.806 -9.291 56 HG2 ARG 9 HG2 ARG 9 1.166 -12.076 -8.854 57 HG3 ARG 9 HG3 ARG 9 -0.257 -13.101 -9.056 58 HD2 ARG 9 HD2 ARG 9 -0.724 -11.625 -11.130 59 HD3 ARG 9 HD3 ARG 9 0.972 -11.166 -10.984 60 HE ARG 9 HE ARG 9 1.575 -13.256 -11.723 61 HH11 ARG 9 HH11 ARG 9 -1.815 -13.230 -10.932 62 HH12 ARG 9 HH12 ARG 9 -2.123 -14.788 -11.625 63 HH21 ARG 9 HH21 ARG 9 1.183 -15.308 -12.638 64 HH22 ARG 9 HH22 ARG 9 -0.416 -15.970 -12.594 65 HA PRO 10 HA PRO 10 -1.819 -6.100 -8.877 66 HB2 PRO 10 HB2 PRO 10 -3.042 -6.214 -11.298 67 HB3 PRO 10 HB3 PRO 10 -1.340 -5.782 -11.102 68 HG2 PRO 10 HG2 PRO 10 -2.551 -8.409 -11.873 69 HG3 PRO 10 HG3 PRO 10 -1.135 -7.587 -12.554 70 HD2 PRO 10 HD2 PRO 10 -0.924 -9.619 -10.777 71 HD3 PRO 10 HD3 PRO 10 0.250 -8.289 -10.851 72 H GLY 11 H GLY 11 -4.095 -5.359 -9.048 73 HA2 GLY 11 HA2 GLY 11 -6.406 -5.688 -8.924 74 HA3 GLY 11 HA3 GLY 11 -6.141 -7.422 -9.023 75 H GLN 12 H GLN 12 -4.544 -7.990 -6.941 76 HA GLN 12 HA GLN 12 -6.315 -7.935 -4.748 77 HB2 GLN 12 HB2 GLN 12 -4.300 -9.537 -5.371 78 HB3 GLN 12 HB3 GLN 12 -3.406 -8.443 -4.325 79 HG2 GLN 12 HG2 GLN 12 -4.086 -10.184 -2.932 80 HG3 GLN 12 HG3 GLN 12 -5.211 -8.870 -2.592 81 HE21 GLN 12 HE21 GLN 12 -4.847 -11.739 -4.637 82 HE22 GLN 12 HE22 GLN 12 -6.510 -12.201 -4.586 83 H THR 13 H THR 13 -6.272 -6.808 -2.820 84 HA THR 13 HA THR 13 -5.103 -4.171 -2.964 85 HB THR 13 HB THR 13 -7.400 -4.534 -2.082 86 HG1 THR 13 HG1 THR 13 -6.053 -2.704 -1.449 87 HG21 THR 13 HG21 THR 13 -7.718 -5.439 0.145 88 HG22 THR 13 HG22 THR 13 -5.986 -5.729 0.305 89 HG23 THR 13 HG23 THR 13 -6.929 -6.641 -0.874 90 H CYS 14 H CYS 14 -3.566 -3.302 -1.596 91 HA CYS 14 HA CYS 14 -1.766 -5.235 -0.383 92 HB2 CYS 14 HB2 CYS 14 -1.190 -3.113 -1.863 93 HB3 CYS 14 HB3 CYS 14 -1.246 -2.296 -0.304 94 H CYS 15 H CYS 15 -1.936 -5.777 1.679 95 HA CYS 15 HA CYS 15 -3.309 -3.967 3.529 96 HB2 CYS 15 HB2 CYS 15 -3.439 -5.938 5.020 97 HB3 CYS 15 HB3 CYS 15 -4.178 -6.237 3.450 98 H ARG 16 H ARG 16 -2.357 -3.134 5.330 99 HA ARG 16 HA ARG 16 0.556 -3.420 5.492 100 HB2 ARG 16 HB2 ARG 16 -0.606 -1.145 5.268 101 HB3 ARG 16 HB3 ARG 16 -1.110 -1.369 6.938 102 HG2 ARG 16 HG2 ARG 16 1.414 -1.758 7.384 103 HG3 ARG 16 HG3 ARG 16 1.629 -0.945 5.832 104 HD2 ARG 16 HD2 ARG 16 0.869 1.062 6.621 105 HD3 ARG 16 HD3 ARG 16 -0.171 0.313 7.832 106 HE ARG 16 HE ARG 16 1.545 0.474 9.324 107 HH11 ARG 16 HH11 ARG 16 2.848 0.683 6.102 108 HH12 ARG 16 HH12 ARG 16 4.460 1.027 6.636 109 HH21 ARG 16 HH21 ARG 16 3.663 0.927 10.039 110 HH22 ARG 16 HH22 ARG 16 4.923 1.164 8.876 111 H GLY 17 H GLY 17 -1.117 -5.502 6.510 112 HA2 GLY 17 HA2 GLY 17 -1.469 -5.279 9.319 113 HA3 GLY 17 HA3 GLY 17 -1.451 -6.774 8.396 114 H LEU 18 H LEU 18 0.610 -7.760 7.932 115 HA LEU 18 HA LEU 18 2.272 -8.019 10.117 116 HB2 LEU 18 HB2 LEU 18 3.026 -8.447 7.230 117 HB3 LEU 18 HB3 LEU 18 3.846 -9.133 8.632 118 HG LEU 18 HG LEU 18 1.044 -9.780 7.715 119 HD11 LEU 18 HD11 LEU 18 3.563 -10.752 6.874 120 HD12 LEU 18 HD12 LEU 18 1.959 -11.339 6.437 121 HD13 LEU 18 HD13 LEU 18 2.796 -12.017 7.834 122 HD21 LEU 18 HD21 LEU 18 1.101 -9.933 10.090 123 HD22 LEU 18 HD22 LEU 18 2.666 -10.747 10.062 124 HD23 LEU 18 HD23 LEU 18 1.230 -11.574 9.455 125 H HIS 19 H HIS 19 4.633 -7.527 10.231 126 HA HIS 19 HA HIS 19 5.122 -4.816 10.352 127 HB2 HIS 19 HB2 HIS 19 6.945 -7.197 10.205 128 HB3 HIS 19 HB3 HIS 19 7.613 -5.568 10.239 129 HD1 HIS 19 HD1 HIS 19 5.934 -4.208 12.332 130 HD2 HIS 19 HD2 HIS 19 7.285 -8.117 12.724 131 HE1 HIS 19 HE1 HIS 19 5.918 -4.680 14.802 132 H GLY 20 H GLY 20 5.635 -7.035 7.674 133 HA2 GLY 20 HA2 GLY 20 6.687 -4.809 6.056 134 HA3 GLY 20 HA3 GLY 20 6.890 -6.515 5.686 135 H TYR 21 H TYR 21 5.708 -4.130 4.213 136 HA TYR 21 HA TYR 21 2.970 -4.313 3.924 137 HB2 TYR 21 HB2 TYR 21 5.201 -3.471 2.145 138 HB3 TYR 21 HB3 TYR 21 3.631 -3.739 1.396 139 HD1 TYR 21 HD1 TYR 21 5.677 -1.367 2.968 140 HD2 TYR 21 HD2 TYR 21 1.610 -2.575 2.654 141 HE1 TYR 21 HE1 TYR 21 4.963 0.876 3.682 142 HE2 TYR 21 HE2 TYR 21 0.884 -0.335 3.366 143 HH TYR 21 HH TYR 21 1.624 1.861 3.574 144 H GLY 22 H GLY 22 1.629 -5.846 3.244 145 HA2 GLY 22 HA2 GLY 22 2.655 -7.892 1.385 146 HA3 GLY 22 HA3 GLY 22 1.790 -8.368 2.839 147 H CYS 23 H CYS 23 0.742 -9.338 0.645 148 HA CYS 23 HA CYS 23 -1.425 -7.520 -0.161 149 HB2 CYS 23 HB2 CYS 23 -1.771 -9.104 -2.047 150 HB3 CYS 23 HB3 CYS 23 -0.168 -8.376 -2.042 151 H CYS 24 H CYS 24 -3.484 -7.943 0.366 152 HA CYS 24 HA CYS 24 -4.097 -10.565 1.561 153 HB2 CYS 24 HB2 CYS 24 -4.943 -7.824 2.505 154 HB3 CYS 24 HB3 CYS 24 -5.713 -9.309 3.053 Start of MODEL 5 1 H1 CYS 1 H CYS 1 -0.150 -1.568 -4.766 2 HA CYS 1 HA CYS 1 -0.160 -1.516 -2.175 3 HB2 CYS 1 HB2 CYS 1 2.057 -3.364 -2.942 4 HB3 CYS 1 HB3 CYS 1 2.281 -2.326 -1.537 5 HA PRO 2 HA PRO 2 2.053 2.231 -2.723 6 HB2 PRO 2 HB2 PRO 2 3.068 2.678 -0.245 7 HB3 PRO 2 HB3 PRO 2 1.349 2.843 -0.623 8 HG2 PRO 2 HG2 PRO 2 2.794 0.561 0.669 9 HG3 PRO 2 HG3 PRO 2 1.237 1.290 1.104 10 HD2 PRO 2 HD2 PRO 2 1.424 -1.016 -0.302 11 HD3 PRO 2 HD3 PRO 2 0.097 0.141 -0.537 12 H ASP 3 H ASP 3 3.636 1.180 -4.161 13 HA ASP 3 HA ASP 3 6.313 1.527 -3.128 14 HB2 ASP 3 HB2 ASP 3 5.165 -1.110 -3.439 15 HB3 ASP 3 HB3 ASP 3 6.546 -0.902 -4.513 16 HA PRO 4 HA PRO 4 7.164 2.892 -7.207 17 HB2 PRO 4 HB2 PRO 4 9.733 2.092 -7.572 18 HB3 PRO 4 HB3 PRO 4 9.283 3.416 -6.490 19 HG2 PRO 4 HG2 PRO 4 9.908 0.562 -5.835 20 HG3 PRO 4 HG3 PRO 4 10.419 2.040 -4.998 21 HD2 PRO 4 HD2 PRO 4 8.379 0.495 -4.113 22 HD3 PRO 4 HD3 PRO 4 8.410 2.256 -3.888 23 H VAL 5 H VAL 5 8.449 -0.400 -6.700 24 HA VAL 5 HA VAL 5 7.743 -1.056 -9.472 25 HB VAL 5 HB VAL 5 9.160 -3.015 -9.236 26 HG11 VAL 5 HG11 VAL 5 11.202 -1.931 -9.342 27 HG12 VAL 5 HG12 VAL 5 10.067 -0.619 -9.665 28 HG13 VAL 5 HG13 VAL 5 10.783 -0.794 -8.062 29 HG21 VAL 5 HG21 VAL 5 8.773 -3.603 -6.944 30 HG22 VAL 5 HG22 VAL 5 10.502 -3.322 -7.156 31 HG23 VAL 5 HG23 VAL 5 9.497 -2.096 -6.384 32 H TYR 6 H TYR 6 6.539 -2.920 -9.971 33 HA TYR 6 HA TYR 6 4.433 -3.484 -8.124 34 HB2 TYR 6 HB2 TYR 6 5.121 -4.602 -10.842 35 HB3 TYR 6 HB3 TYR 6 3.711 -5.117 -9.923 36 HD1 TYR 6 HD1 TYR 6 2.091 -3.219 -9.165 37 HD2 TYR 6 HD2 TYR 6 4.940 -2.804 -12.298 38 HE1 TYR 6 HE1 TYR 6 0.801 -1.335 -10.080 39 HE2 TYR 6 HE2 TYR 6 3.658 -0.918 -13.221 40 HH TYR 6 HH TYR 6 1.119 0.596 -11.503 41 H THR 7 H THR 7 4.813 -4.717 -6.399 42 HA THR 7 HA THR 7 6.612 -7.014 -6.622 43 HB THR 7 HB THR 7 6.106 -7.111 -4.062 44 HG1 THR 7 HG1 THR 7 5.548 -4.364 -4.530 45 HG21 THR 7 HG21 THR 7 8.219 -6.325 -5.322 46 HG22 THR 7 HG22 THR 7 8.010 -5.824 -3.644 47 HG23 THR 7 HG23 THR 7 7.652 -4.698 -4.953 48 H CYS 8 H CYS 8 3.267 -6.197 -5.878 49 HA CYS 8 HA CYS 8 2.626 -9.063 -5.712 50 HB2 CYS 8 HB2 CYS 8 1.131 -6.623 -4.743 51 HB3 CYS 8 HB3 CYS 8 0.443 -8.243 -4.743 52 H ARG 9 H ARG 9 0.166 -9.360 -6.444 53 HA ARG 9 HA ARG 9 0.122 -8.497 -9.240 54 HB2 ARG 9 HB2 ARG 9 -0.974 -10.820 -7.738 55 HB3 ARG 9 HB3 ARG 9 -1.866 -10.276 -9.152 56 HG2 ARG 9 HG2 ARG 9 -0.256 -10.948 -10.602 57 HG3 ARG 9 HG3 ARG 9 1.054 -10.656 -9.456 58 HD2 ARG 9 HD2 ARG 9 -0.895 -12.829 -8.873 59 HD3 ARG 9 HD3 ARG 9 0.321 -13.102 -10.119 60 HE ARG 9 HE ARG 9 0.740 -13.063 -7.301 61 HH11 ARG 9 HH11 ARG 9 2.232 -12.335 -10.361 62 HH12 ARG 9 HH12 ARG 9 3.848 -12.551 -9.772 63 HH21 ARG 9 HH21 ARG 9 2.861 -13.350 -6.514 64 HH22 ARG 9 HH22 ARG 9 4.204 -13.129 -7.584 65 HA PRO 10 HA PRO 10 -3.334 -5.828 -8.829 66 HB2 PRO 10 HB2 PRO 10 -4.775 -6.381 -11.062 67 HB3 PRO 10 HB3 PRO 10 -3.239 -5.507 -11.102 68 HG2 PRO 10 HG2 PRO 10 -3.789 -8.395 -11.665 69 HG3 PRO 10 HG3 PRO 10 -2.742 -7.264 -12.542 70 HD2 PRO 10 HD2 PRO 10 -1.774 -9.077 -10.779 71 HD3 PRO 10 HD3 PRO 10 -1.018 -7.491 -11.029 72 H GLY 11 H GLY 11 -5.671 -5.704 -8.559 73 HA2 GLY 11 HA2 GLY 11 -7.788 -6.596 -8.116 74 HA3 GLY 11 HA3 GLY 11 -7.126 -8.211 -8.324 75 H GLN 12 H GLN 12 -5.103 -8.312 -6.526 76 HA GLN 12 HA GLN 12 -6.473 -8.738 -4.094 77 HB2 GLN 12 HB2 GLN 12 -3.600 -8.822 -4.933 78 HB3 GLN 12 HB3 GLN 12 -4.007 -8.920 -3.225 79 HG2 GLN 12 HG2 GLN 12 -5.240 -10.746 -5.258 80 HG3 GLN 12 HG3 GLN 12 -3.695 -11.102 -4.487 81 HE21 GLN 12 HE21 GLN 12 -7.119 -10.634 -3.961 82 HE22 GLN 12 HE22 GLN 12 -7.192 -11.439 -2.435 83 H THR 13 H THR 13 -6.674 -7.538 -2.283 84 HA THR 13 HA THR 13 -6.027 -4.727 -2.466 85 HB THR 13 HB THR 13 -8.202 -5.509 -1.541 86 HG1 THR 13 HG1 THR 13 -7.202 -3.450 -0.950 87 HG21 THR 13 HG21 THR 13 -7.268 -7.472 -0.317 88 HG22 THR 13 HG22 THR 13 -8.326 -6.461 0.667 89 HG23 THR 13 HG23 THR 13 -6.577 -6.354 0.858 90 H CYS 14 H CYS 14 -4.560 -3.607 -1.262 91 HA CYS 14 HA CYS 14 -2.408 -5.118 -0.093 92 HB2 CYS 14 HB2 CYS 14 -2.208 -2.964 -1.477 93 HB3 CYS 14 HB3 CYS 14 -2.697 -2.121 -0.011 94 H CYS 15 H CYS 15 -2.493 -5.861 1.914 95 HA CYS 15 HA CYS 15 -4.122 -4.466 3.905 96 HB2 CYS 15 HB2 CYS 15 -3.835 -6.516 5.258 97 HB3 CYS 15 HB3 CYS 15 -4.534 -6.853 3.678 98 H ARG 16 H ARG 16 -3.309 -3.709 5.838 99 HA ARG 16 HA ARG 16 -0.391 -3.379 5.912 100 HB2 ARG 16 HB2 ARG 16 -2.094 -1.400 5.926 101 HB3 ARG 16 HB3 ARG 16 -2.297 -1.819 7.622 102 HG2 ARG 16 HG2 ARG 16 0.302 -1.672 7.685 103 HG3 ARG 16 HG3 ARG 16 0.088 -0.717 6.216 104 HD2 ARG 16 HD2 ARG 16 -0.950 0.996 7.317 105 HD3 ARG 16 HD3 ARG 16 -1.606 -0.061 8.567 106 HE ARG 16 HE ARG 16 1.117 -0.070 8.945 107 HH11 ARG 16 HH11 ARG 16 -1.411 2.322 8.893 108 HH12 ARG 16 HH12 ARG 16 -0.619 3.374 10.019 109 HH21 ARG 16 HH21 ARG 16 2.171 1.305 10.429 110 HH22 ARG 16 HH22 ARG 16 1.419 2.794 10.892 111 H GLY 17 H GLY 17 -1.487 -5.837 6.754 112 HA2 GLY 17 HA2 GLY 17 -1.863 -5.929 9.571 113 HA3 GLY 17 HA3 GLY 17 -1.514 -7.300 8.528 114 H LEU 18 H LEU 18 0.717 -7.732 7.985 115 HA LEU 18 HA LEU 18 2.420 -7.798 10.154 116 HB2 LEU 18 HB2 LEU 18 2.956 -7.944 7.203 117 HB3 LEU 18 HB3 LEU 18 4.243 -8.129 8.394 118 HG LEU 18 HG LEU 18 2.695 -10.007 9.348 119 HD11 LEU 18 HD11 LEU 18 0.752 -9.972 8.158 120 HD12 LEU 18 HD12 LEU 18 1.674 -11.115 7.181 121 HD13 LEU 18 HD13 LEU 18 1.538 -9.432 6.674 122 HD21 LEU 18 HD21 LEU 18 4.384 -10.202 6.865 123 HD22 LEU 18 HD22 LEU 18 3.750 -11.612 7.715 124 HD23 LEU 18 HD23 LEU 18 4.861 -10.514 8.534 125 H HIS 19 H HIS 19 4.604 -6.783 10.336 126 HA HIS 19 HA HIS 19 4.451 -4.055 10.708 127 HB2 HIS 19 HB2 HIS 19 6.915 -4.083 10.860 128 HB3 HIS 19 HB3 HIS 19 6.185 -5.419 11.746 129 HD1 HIS 19 HD1 HIS 19 8.456 -4.654 8.924 130 HD2 HIS 19 HD2 HIS 19 6.589 -7.980 10.572 131 HE1 HIS 19 HE1 HIS 19 9.612 -6.644 7.912 132 H GLY 20 H GLY 20 5.438 -5.842 7.846 133 HA2 GLY 20 HA2 GLY 20 5.967 -3.306 6.451 134 HA3 GLY 20 HA3 GLY 20 6.490 -4.894 5.911 135 H TYR 21 H TYR 21 4.794 -2.623 4.741 136 HA TYR 21 HA TYR 21 2.153 -3.356 4.426 137 HB2 TYR 21 HB2 TYR 21 4.103 -1.849 2.750 138 HB3 TYR 21 HB3 TYR 21 2.581 -2.329 2.007 139 HD1 TYR 21 HD1 TYR 21 4.135 -0.259 4.612 140 HD2 TYR 21 HD2 TYR 21 0.495 -1.322 2.682 141 HE1 TYR 21 HE1 TYR 21 3.030 1.683 5.641 142 HE2 TYR 21 HE2 TYR 21 -0.620 0.618 3.704 143 HH TYR 21 HH TYR 21 -0.347 2.476 4.907 144 H GLY 22 H GLY 22 1.177 -5.076 3.594 145 HA2 GLY 22 HA2 GLY 22 2.576 -6.601 1.489 146 HA3 GLY 22 HA3 GLY 22 1.834 -7.418 2.856 147 H CYS 23 H CYS 23 0.996 -8.306 0.542 148 HA CYS 23 HA CYS 23 -1.566 -6.942 0.031 149 HB2 CYS 23 HB2 CYS 23 -1.515 -8.137 -2.182 150 HB3 CYS 23 HB3 CYS 23 -0.254 -6.925 -1.973 151 H CYS 24 H CYS 24 -3.303 -7.957 0.758 152 HA CYS 24 HA CYS 24 -3.136 -10.847 1.278 153 HB2 CYS 24 HB2 CYS 24 -4.895 -8.703 2.478 154 HB3 CYS 24 HB3 CYS 24 -5.124 -10.423 2.775 Start of MODEL 6 1 H1 CYS 1 H CYS 1 1.005 -1.364 -3.429 2 HA CYS 1 HA CYS 1 0.906 -0.027 -0.814 3 HB2 CYS 1 HB2 CYS 1 2.826 -1.868 -2.125 4 HB3 CYS 1 HB3 CYS 1 3.521 -0.604 -1.116 5 HA PRO 2 HA PRO 2 2.427 3.784 -2.364 6 HB2 PRO 2 HB2 PRO 2 4.184 4.543 -0.439 7 HB3 PRO 2 HB3 PRO 2 2.433 4.555 -0.200 8 HG2 PRO 2 HG2 PRO 2 4.448 2.515 0.660 9 HG3 PRO 2 HG3 PRO 2 3.073 3.180 1.562 10 HD2 PRO 2 HD2 PRO 2 2.987 0.761 0.346 11 HD3 PRO 2 HD3 PRO 2 1.556 1.799 0.511 12 H ASP 3 H ASP 3 3.538 3.172 -4.238 13 HA ASP 3 HA ASP 3 6.271 3.760 -4.335 14 HB2 ASP 3 HB2 ASP 3 6.897 1.315 -5.132 15 HB3 ASP 3 HB3 ASP 3 6.979 1.766 -3.432 16 HA PRO 4 HA PRO 4 5.365 4.113 -8.611 17 HB2 PRO 4 HB2 PRO 4 7.767 3.592 -9.763 18 HB3 PRO 4 HB3 PRO 4 7.432 5.081 -8.872 19 HG2 PRO 4 HG2 PRO 4 8.850 2.607 -7.961 20 HG3 PRO 4 HG3 PRO 4 9.277 4.306 -7.687 21 HD2 PRO 4 HD2 PRO 4 8.048 2.792 -5.808 22 HD3 PRO 4 HD3 PRO 4 7.767 4.539 -5.961 23 H VAL 5 H VAL 5 7.433 1.269 -7.999 24 HA VAL 5 HA VAL 5 5.993 -0.179 -10.107 25 HB VAL 5 HB VAL 5 7.797 -1.795 -10.065 26 HG11 VAL 5 HG11 VAL 5 7.972 0.698 -11.065 27 HG12 VAL 5 HG12 VAL 5 9.393 0.684 -10.019 28 HG13 VAL 5 HG13 VAL 5 9.216 -0.532 -11.284 29 HG21 VAL 5 HG21 VAL 5 8.375 -1.895 -7.767 30 HG22 VAL 5 HG22 VAL 5 9.809 -1.321 -8.618 31 HG23 VAL 5 HG23 VAL 5 8.798 -0.183 -7.727 32 H TYR 6 H TYR 6 5.130 -2.250 -9.736 33 HA TYR 6 HA TYR 6 4.309 -2.683 -6.961 34 HB2 TYR 6 HB2 TYR 6 3.249 -3.959 -9.490 35 HB3 TYR 6 HB3 TYR 6 2.554 -4.102 -7.880 36 HD1 TYR 6 HD1 TYR 6 2.164 -2.524 -10.922 37 HD2 TYR 6 HD2 TYR 6 2.138 -1.656 -6.757 38 HE1 TYR 6 HE1 TYR 6 0.780 -0.537 -11.351 39 HE2 TYR 6 HE2 TYR 6 0.753 0.333 -7.174 40 HH TYR 6 HH TYR 6 -0.527 1.042 -10.376 41 H THR 7 H THR 7 4.202 -4.905 -6.146 42 HA THR 7 HA THR 7 6.409 -6.555 -7.196 43 HB THR 7 HB THR 7 5.526 -6.659 -4.327 44 HG1 THR 7 HG1 THR 7 7.075 -4.701 -5.608 45 HG21 THR 7 HG21 THR 7 7.171 -8.280 -5.643 46 HG22 THR 7 HG22 THR 7 7.453 -7.832 -3.961 47 HG23 THR 7 HG23 THR 7 8.329 -7.009 -5.251 48 H CYS 8 H CYS 8 3.661 -6.973 -4.957 49 HA CYS 8 HA CYS 8 3.282 -9.693 -5.515 50 HB2 CYS 8 HB2 CYS 8 1.625 -7.555 -4.241 51 HB3 CYS 8 HB3 CYS 8 0.863 -9.092 -4.639 52 H ARG 9 H ARG 9 0.887 -10.367 -6.247 53 HA ARG 9 HA ARG 9 0.806 -9.801 -9.048 54 HB2 ARG 9 HB2 ARG 9 -0.704 -11.557 -7.172 55 HB3 ARG 9 HB3 ARG 9 -1.445 -11.177 -8.721 56 HG2 ARG 9 HG2 ARG 9 0.230 -12.250 -9.927 57 HG3 ARG 9 HG3 ARG 9 1.357 -12.215 -8.570 58 HD2 ARG 9 HD2 ARG 9 0.617 -14.447 -8.726 59 HD3 ARG 9 HD3 ARG 9 -0.262 -13.748 -7.367 60 HE ARG 9 HE ARG 9 -1.758 -13.498 -9.758 61 HH11 ARG 9 HH11 ARG 9 -0.772 -15.824 -7.363 62 HH12 ARG 9 HH12 ARG 9 -2.151 -16.845 -7.598 63 HH21 ARG 9 HH21 ARG 9 -3.579 -14.835 -10.076 64 HH22 ARG 9 HH22 ARG 9 -3.747 -16.282 -9.142 65 HA PRO 10 HA PRO 10 -2.145 -6.564 -9.285 66 HB2 PRO 10 HB2 PRO 10 -3.649 -7.293 -11.425 67 HB3 PRO 10 HB3 PRO 10 -1.986 -6.712 -11.573 68 HG2 PRO 10 HG2 PRO 10 -3.019 -9.522 -11.593 69 HG3 PRO 10 HG3 PRO 10 -1.790 -8.774 -12.630 70 HD2 PRO 10 HD2 PRO 10 -1.155 -10.345 -10.518 71 HD3 PRO 10 HD3 PRO 10 -0.137 -8.986 -11.038 72 H GLY 11 H GLY 11 -4.370 -5.978 -9.005 73 HA2 GLY 11 HA2 GLY 11 -6.607 -6.351 -8.447 74 HA3 GLY 11 HA3 GLY 11 -6.299 -8.081 -8.468 75 H GLN 12 H GLN 12 -4.343 -8.449 -6.665 76 HA GLN 12 HA GLN 12 -5.708 -8.273 -4.205 77 HB2 GLN 12 HB2 GLN 12 -2.983 -9.137 -5.060 78 HB3 GLN 12 HB3 GLN 12 -3.274 -8.867 -3.346 79 HG2 GLN 12 HG2 GLN 12 -4.914 -10.701 -5.078 80 HG3 GLN 12 HG3 GLN 12 -3.563 -11.219 -4.070 81 HE21 GLN 12 HE21 GLN 12 -3.928 -11.674 -1.997 82 HE22 GLN 12 HE22 GLN 12 -5.416 -11.396 -1.164 83 H THR 13 H THR 13 -5.760 -6.741 -2.692 84 HA THR 13 HA THR 13 -4.357 -4.260 -3.141 85 HB THR 13 HB THR 13 -6.707 -4.291 -2.348 86 HG1 THR 13 HG1 THR 13 -5.223 -2.518 -1.878 87 HG21 THR 13 HG21 THR 13 -6.128 -4.738 0.445 88 HG22 THR 13 HG22 THR 13 -5.747 -6.169 -0.513 89 HG23 THR 13 HG23 THR 13 -7.365 -5.473 -0.573 90 H CYS 14 H CYS 14 -2.813 -3.320 -1.828 91 HA CYS 14 HA CYS 14 -1.184 -5.175 -0.320 92 HB2 CYS 14 HB2 CYS 14 -0.462 -3.198 -1.931 93 HB3 CYS 14 HB3 CYS 14 -0.570 -2.256 -0.447 94 H CYS 15 H CYS 15 -1.443 -5.530 1.773 95 HA CYS 15 HA CYS 15 -2.762 -3.472 3.407 96 HB2 CYS 15 HB2 CYS 15 -3.238 -5.332 4.991 97 HB3 CYS 15 HB3 CYS 15 -3.959 -5.573 3.403 98 H ARG 16 H ARG 16 -1.969 -3.044 5.531 99 HA ARG 16 HA ARG 16 0.917 -3.573 5.801 100 HB2 ARG 16 HB2 ARG 16 0.988 -1.493 7.158 101 HB3 ARG 16 HB3 ARG 16 0.483 -1.219 5.496 102 HG2 ARG 16 HG2 ARG 16 -1.683 -1.677 7.441 103 HG3 ARG 16 HG3 ARG 16 -0.768 -0.179 7.628 104 HD2 ARG 16 HD2 ARG 16 -1.499 0.677 5.648 105 HD3 ARG 16 HD3 ARG 16 -1.649 -0.910 4.894 106 HE ARG 16 HE ARG 16 -3.596 -0.815 6.839 107 HH11 ARG 16 HH11 ARG 16 -2.778 1.002 3.984 108 HH12 ARG 16 HH12 ARG 16 -4.416 1.449 3.640 109 HH21 ARG 16 HH21 ARG 16 -5.757 -0.233 6.397 110 HH22 ARG 16 HH22 ARG 16 -6.109 0.747 5.014 111 H GLY 17 H GLY 17 -1.085 -5.405 6.702 112 HA2 GLY 17 HA2 GLY 17 -1.609 -5.103 9.475 113 HA3 GLY 17 HA3 GLY 17 -1.712 -6.601 8.563 114 H LEU 18 H LEU 18 0.395 -7.678 8.079 115 HA LEU 18 HA LEU 18 1.770 -8.305 10.389 116 HB2 LEU 18 HB2 LEU 18 2.394 -8.608 7.486 117 HB3 LEU 18 HB3 LEU 18 3.616 -9.029 8.685 118 HG LEU 18 HG LEU 18 0.856 -10.228 8.705 119 HD11 LEU 18 HD11 LEU 18 1.584 -12.030 7.400 120 HD12 LEU 18 HD12 LEU 18 3.274 -11.538 7.503 121 HD13 LEU 18 HD13 LEU 18 2.140 -10.598 6.534 122 HD21 LEU 18 HD21 LEU 18 1.576 -11.170 10.579 123 HD22 LEU 18 HD22 LEU 18 3.133 -10.359 10.415 124 HD23 LEU 18 HD23 LEU 18 2.881 -11.942 9.678 125 H HIS 19 H HIS 19 4.126 -8.005 10.819 126 HA HIS 19 HA HIS 19 4.762 -5.367 11.313 127 HB2 HIS 19 HB2 HIS 19 6.760 -7.592 10.860 128 HB3 HIS 19 HB3 HIS 19 7.019 -6.120 11.792 129 HD1 HIS 19 HD1 HIS 19 4.688 -6.025 13.646 130 HD2 HIS 19 HD2 HIS 19 6.599 -9.584 12.673 131 HE1 HIS 19 HE1 HIS 19 4.155 -7.610 15.524 132 H GLY 20 H GLY 20 5.454 -7.312 8.467 133 HA2 GLY 20 HA2 GLY 20 6.768 -4.974 7.238 134 HA3 GLY 20 HA3 GLY 20 7.016 -6.640 6.737 135 H TYR 21 H TYR 21 6.002 -4.068 5.405 136 HA TYR 21 HA TYR 21 3.334 -4.238 4.724 137 HB2 TYR 21 HB2 TYR 21 5.756 -3.226 3.282 138 HB3 TYR 21 HB3 TYR 21 4.211 -3.283 2.440 139 HD1 TYR 21 HD1 TYR 21 2.290 -1.949 3.303 140 HD2 TYR 21 HD2 TYR 21 6.208 -1.560 4.917 141 HE1 TYR 21 HE1 TYR 21 1.650 0.195 4.324 142 HE2 TYR 21 HE2 TYR 21 5.578 0.584 5.944 143 HH TYR 21 HH TYR 21 3.015 1.582 6.696 144 H GLY 22 H GLY 22 2.118 -5.569 3.529 145 HA2 GLY 22 HA2 GLY 22 3.356 -7.272 1.510 146 HA3 GLY 22 HA3 GLY 22 2.600 -8.095 2.866 147 H CYS 23 H CYS 23 1.596 -8.781 0.549 148 HA CYS 23 HA CYS 23 -0.786 -7.116 0.102 149 HB2 CYS 23 HB2 CYS 23 -1.015 -8.339 -2.032 150 HB3 CYS 23 HB3 CYS 23 0.535 -7.513 -1.906 151 H CYS 24 H CYS 24 -2.783 -7.872 0.516 152 HA CYS 24 HA CYS 24 -3.318 -10.689 0.804 153 HB2 CYS 24 HB2 CYS 24 -3.958 -10.682 3.108 154 HB3 CYS 24 HB3 CYS 24 -2.336 -10.004 3.021 Start of MODEL 7 1 H1 CYS 1 H CYS 1 -0.025 0.370 0.021 2 HA CYS 1 HA CYS 1 1.880 -0.213 -1.170 3 HB2 CYS 1 HB2 CYS 1 -0.151 -1.670 -2.833 4 HB3 CYS 1 HB3 CYS 1 1.478 -1.412 -3.448 5 HA PRO 2 HA PRO 2 0.512 3.582 -3.515 6 HB2 PRO 2 HB2 PRO 2 2.197 5.286 -2.238 7 HB3 PRO 2 HB3 PRO 2 0.579 4.904 -1.637 8 HG2 PRO 2 HG2 PRO 2 3.226 3.793 -0.789 9 HG3 PRO 2 HG3 PRO 2 1.853 4.298 0.212 10 HD2 PRO 2 HD2 PRO 2 2.352 1.702 -0.372 11 HD3 PRO 2 HD3 PRO 2 0.707 2.330 -0.144 12 H ASP 3 H ASP 3 3.814 2.832 -2.388 13 HA ASP 3 HA ASP 3 5.254 4.062 -4.394 14 HB2 ASP 3 HB2 ASP 3 6.928 2.109 -3.963 15 HB3 ASP 3 HB3 ASP 3 6.559 3.232 -2.658 16 HA PRO 4 HA PRO 4 4.641 1.844 -8.127 17 HB2 PRO 4 HB2 PRO 4 7.127 1.868 -9.218 18 HB3 PRO 4 HB3 PRO 4 6.107 3.309 -9.118 19 HG2 PRO 4 HG2 PRO 4 8.362 2.457 -7.343 20 HG3 PRO 4 HG3 PRO 4 7.993 4.067 -7.988 21 HD2 PRO 4 HD2 PRO 4 7.370 3.334 -5.457 22 HD3 PRO 4 HD3 PRO 4 6.382 4.476 -6.391 23 H VAL 5 H VAL 5 7.375 0.778 -6.154 24 HA VAL 5 HA VAL 5 7.796 -1.703 -7.423 25 HB VAL 5 HB VAL 5 8.346 -0.949 -4.549 26 HG11 VAL 5 HG11 VAL 5 9.075 -3.022 -4.246 27 HG12 VAL 5 HG12 VAL 5 8.549 -3.442 -5.877 28 HG13 VAL 5 HG13 VAL 5 10.186 -2.844 -5.603 29 HG21 VAL 5 HG21 VAL 5 9.564 0.578 -5.815 30 HG22 VAL 5 HG22 VAL 5 10.719 -0.725 -5.534 31 HG23 VAL 5 HG23 VAL 5 9.897 -0.596 -7.089 32 H TYR 6 H TYR 6 6.522 -3.421 -7.499 33 HA TYR 6 HA TYR 6 4.534 -3.799 -5.358 34 HB2 TYR 6 HB2 TYR 6 4.432 -4.211 -8.304 35 HB3 TYR 6 HB3 TYR 6 3.533 -5.340 -7.297 36 HD1 TYR 6 HD1 TYR 6 1.294 -4.790 -7.617 37 HD2 TYR 6 HD2 TYR 6 4.098 -1.685 -6.841 38 HE1 TYR 6 HE1 TYR 6 -0.552 -3.173 -7.448 39 HE2 TYR 6 HE2 TYR 6 2.259 -0.060 -6.668 40 HH TYR 6 HH TYR 6 -0.517 -0.483 -6.029 41 H THR 7 H THR 7 3.939 -6.080 -4.927 42 HA THR 7 HA THR 7 6.247 -7.884 -5.260 43 HB THR 7 HB THR 7 5.549 -8.873 -3.023 44 HG1 THR 7 HG1 THR 7 4.319 -6.353 -2.597 45 HG21 THR 7 HG21 THR 7 7.556 -7.595 -3.125 46 HG22 THR 7 HG22 THR 7 6.657 -7.016 -1.722 47 HG23 THR 7 HG23 THR 7 6.662 -6.078 -3.216 48 H CYS 8 H CYS 8 2.810 -7.919 -4.292 49 HA CYS 8 HA CYS 8 2.487 -10.601 -5.324 50 HB2 CYS 8 HB2 CYS 8 0.729 -8.659 -3.866 51 HB3 CYS 8 HB3 CYS 8 0.009 -10.041 -4.686 52 H ARG 9 H ARG 9 0.352 -10.947 -6.634 53 HA ARG 9 HA ARG 9 0.738 -9.697 -9.154 54 HB2 ARG 9 HB2 ARG 9 -1.156 -11.705 -8.032 55 HB3 ARG 9 HB3 ARG 9 -1.602 -10.904 -9.532 56 HG2 ARG 9 HG2 ARG 9 -0.497 -12.664 -10.416 57 HG3 ARG 9 HG3 ARG 9 0.888 -11.598 -10.170 58 HD2 ARG 9 HD2 ARG 9 1.641 -12.777 -8.340 59 HD3 ARG 9 HD3 ARG 9 0.043 -13.423 -7.968 60 HE ARG 9 HE ARG 9 0.542 -15.222 -9.272 61 HH11 ARG 9 HH11 ARG 9 2.596 -12.574 -10.215 62 HH12 ARG 9 HH12 ARG 9 3.507 -13.514 -11.349 63 HH21 ARG 9 HH21 ARG 9 1.735 -16.470 -10.762 64 HH22 ARG 9 HH22 ARG 9 3.016 -15.730 -11.660 65 HA PRO 10 HA PRO 10 -1.966 -6.244 -9.051 66 HB2 PRO 10 HB2 PRO 10 -3.105 -6.315 -11.515 67 HB3 PRO 10 HB3 PRO 10 -1.416 -5.866 -11.250 68 HG2 PRO 10 HG2 PRO 10 -2.564 -8.488 -12.125 69 HG3 PRO 10 HG3 PRO 10 -1.137 -7.631 -12.737 70 HD2 PRO 10 HD2 PRO 10 -0.959 -9.704 -11.004 71 HD3 PRO 10 HD3 PRO 10 0.199 -8.358 -11.005 72 H GLY 11 H GLY 11 -4.262 -5.533 -9.360 73 HA2 GLY 11 HA2 GLY 11 -6.568 -5.913 -9.334 74 HA3 GLY 11 HA3 GLY 11 -6.260 -7.642 -9.396 75 H GLN 12 H GLN 12 -4.748 -8.149 -7.239 76 HA GLN 12 HA GLN 12 -6.616 -8.098 -5.126 77 HB2 GLN 12 HB2 GLN 12 -4.626 -9.721 -5.606 78 HB3 GLN 12 HB3 GLN 12 -3.692 -8.569 -4.661 79 HG2 GLN 12 HG2 GLN 12 -4.475 -10.411 -3.288 80 HG3 GLN 12 HG3 GLN 12 -5.184 -8.883 -2.770 81 HE21 GLN 12 HE21 GLN 12 -5.817 -11.741 -4.747 82 HE22 GLN 12 HE22 GLN 12 -7.523 -11.767 -4.480 83 H THR 13 H THR 13 -6.600 -6.998 -3.156 84 HA THR 13 HA THR 13 -5.522 -4.319 -3.303 85 HB THR 13 HB THR 13 -6.835 -3.816 -1.371 86 HG1 THR 13 HG1 THR 13 -6.501 -5.557 -0.038 87 HG21 THR 13 HG21 THR 13 -8.843 -3.954 -2.385 88 HG22 THR 13 HG22 THR 13 -8.760 -5.710 -2.530 89 HG23 THR 13 HG23 THR 13 -7.932 -4.688 -3.704 90 H CYS 14 H CYS 14 -4.010 -3.409 -1.947 91 HA CYS 14 HA CYS 14 -2.182 -5.278 -0.685 92 HB2 CYS 14 HB2 CYS 14 -1.415 -3.381 -2.157 93 HB3 CYS 14 HB3 CYS 14 -1.926 -2.274 -0.887 94 H CYS 15 H CYS 15 -1.503 -5.156 1.480 95 HA CYS 15 HA CYS 15 -3.166 -3.539 3.280 96 HB2 CYS 15 HB2 CYS 15 -3.322 -5.510 4.819 97 HB3 CYS 15 HB3 CYS 15 -4.212 -5.703 3.312 98 H ARG 16 H ARG 16 -2.127 -2.727 5.037 99 HA ARG 16 HA ARG 16 0.753 -3.284 5.211 100 HB2 ARG 16 HB2 ARG 16 -0.329 -0.901 4.835 101 HB3 ARG 16 HB3 ARG 16 -0.516 -0.954 6.583 102 HG2 ARG 16 HG2 ARG 16 1.846 -1.188 6.893 103 HG3 ARG 16 HG3 ARG 16 2.101 -1.363 5.155 104 HD2 ARG 16 HD2 ARG 16 2.620 0.909 6.118 105 HD3 ARG 16 HD3 ARG 16 1.510 0.892 4.748 106 HE ARG 16 HE ARG 16 -0.147 1.686 6.118 107 HH11 ARG 16 HH11 ARG 16 2.512 0.553 8.059 108 HH12 ARG 16 HH12 ARG 16 1.873 1.189 9.539 109 HH21 ARG 16 HH21 ARG 16 -0.998 2.528 8.060 110 HH22 ARG 16 HH22 ARG 16 -0.124 2.312 9.538 111 H GLY 17 H GLY 17 -1.089 -5.089 6.385 112 HA2 GLY 17 HA2 GLY 17 -1.399 -4.547 9.174 113 HA3 GLY 17 HA3 GLY 17 -1.628 -6.101 8.384 114 H LEU 18 H LEU 18 0.321 -7.355 7.882 115 HA LEU 18 HA LEU 18 1.937 -7.762 10.085 116 HB2 LEU 18 HB2 LEU 18 2.587 -8.382 7.208 117 HB3 LEU 18 HB3 LEU 18 3.369 -9.097 8.616 118 HG LEU 18 HG LEU 18 0.449 -9.432 7.939 119 HD11 LEU 18 HD11 LEU 18 2.610 -11.489 7.597 120 HD12 LEU 18 HD12 LEU 18 2.102 -10.423 6.287 121 HD13 LEU 18 HD13 LEU 18 0.945 -11.535 7.017 122 HD21 LEU 18 HD21 LEU 18 1.909 -9.896 10.303 123 HD22 LEU 18 HD22 LEU 18 1.590 -11.474 9.583 124 HD23 LEU 18 HD23 LEU 18 0.253 -10.379 9.936 125 H HIS 19 H HIS 19 4.341 -7.574 10.189 126 HA HIS 19 HA HIS 19 5.174 -4.944 10.217 127 HB2 HIS 19 HB2 HIS 19 6.249 -7.000 11.318 128 HB3 HIS 19 HB3 HIS 19 7.094 -7.226 9.790 129 HD1 HIS 19 HD1 HIS 19 6.527 -3.780 11.123 130 HD2 HIS 19 HD2 HIS 19 9.569 -6.603 10.937 131 HE1 HIS 19 HE1 HIS 19 8.617 -2.563 11.811 132 H GLY 20 H GLY 20 5.406 -7.312 7.626 133 HA2 GLY 20 HA2 GLY 20 6.720 -5.290 5.932 134 HA3 GLY 20 HA3 GLY 20 6.736 -7.022 5.635 135 H TYR 21 H TYR 21 5.830 -4.582 4.055 136 HA TYR 21 HA TYR 21 3.090 -4.480 3.744 137 HB2 TYR 21 HB2 TYR 21 5.389 -4.021 1.887 138 HB3 TYR 21 HB3 TYR 21 3.755 -4.021 1.234 139 HD1 TYR 21 HD1 TYR 21 5.677 -2.525 4.072 140 HD2 TYR 21 HD2 TYR 21 2.635 -2.006 1.144 141 HE1 TYR 21 HE1 TYR 21 5.402 -0.186 4.782 142 HE2 TYR 21 HE2 TYR 21 2.352 0.335 1.844 143 HH TYR 21 HH TYR 21 4.048 1.634 4.639 144 H GLY 22 H GLY 22 1.603 -5.905 3.143 145 HA2 GLY 22 HA2 GLY 22 2.421 -8.132 1.387 146 HA3 GLY 22 HA3 GLY 22 1.464 -8.426 2.832 147 H CYS 23 H CYS 23 0.441 -9.341 0.549 148 HA CYS 23 HA CYS 23 -1.517 -7.338 -0.342 149 HB2 CYS 23 HB2 CYS 23 -1.936 -8.888 -2.235 150 HB3 CYS 23 HB3 CYS 23 -0.267 -8.334 -2.163 151 H CYS 24 H CYS 24 -3.596 -7.521 0.202 152 HA CYS 24 HA CYS 24 -4.521 -10.082 1.328 153 HB2 CYS 24 HB2 CYS 24 -5.101 -7.278 2.292 154 HB3 CYS 24 HB3 CYS 24 -6.017 -8.689 2.813 Start of MODEL 8 1 H1 CYS 1 H CYS 1 -1.282 2.997 -0.229 2 HA CYS 1 HA CYS 1 0.479 1.188 1.227 3 HB2 CYS 1 HB2 CYS 1 -1.895 0.340 -0.377 4 HB3 CYS 1 HB3 CYS 1 -0.443 -0.654 -0.435 5 HA PRO 2 HA PRO 2 2.276 2.963 -2.672 6 HB2 PRO 2 HB2 PRO 2 4.609 3.739 -1.521 7 HB3 PRO 2 HB3 PRO 2 3.163 4.755 -1.539 8 HG2 PRO 2 HG2 PRO 2 4.226 3.012 0.650 9 HG3 PRO 2 HG3 PRO 2 3.556 4.651 0.751 10 HD2 PRO 2 HD2 PRO 2 2.118 2.447 1.391 11 HD3 PRO 2 HD3 PRO 2 1.378 3.900 0.688 12 H ASP 3 H ASP 3 2.312 0.687 -3.291 13 HA ASP 3 HA ASP 3 4.883 -0.622 -2.687 14 HB2 ASP 3 HB2 ASP 3 2.573 -1.724 -2.089 15 HB3 ASP 3 HB3 ASP 3 2.546 -2.125 -3.805 16 HA PRO 4 HA PRO 4 4.955 0.620 -7.161 17 HB2 PRO 4 HB2 PRO 4 7.505 1.551 -7.103 18 HB3 PRO 4 HB3 PRO 4 6.108 2.549 -6.684 19 HG2 PRO 4 HG2 PRO 4 8.021 1.116 -4.881 20 HG3 PRO 4 HG3 PRO 4 7.352 2.751 -4.729 21 HD2 PRO 4 HD2 PRO 4 6.390 0.646 -3.322 22 HD3 PRO 4 HD3 PRO 4 5.359 1.990 -3.855 23 H VAL 5 H VAL 5 7.285 -1.076 -5.122 24 HA VAL 5 HA VAL 5 8.711 -2.334 -7.222 25 HB VAL 5 HB VAL 5 8.389 -3.354 -4.399 26 HG11 VAL 5 HG11 VAL 5 10.341 -3.881 -6.612 27 HG12 VAL 5 HG12 VAL 5 10.777 -4.151 -4.924 28 HG13 VAL 5 HG13 VAL 5 9.427 -5.033 -5.639 29 HG21 VAL 5 HG21 VAL 5 10.586 -2.106 -4.058 30 HG22 VAL 5 HG22 VAL 5 10.182 -1.225 -5.531 31 HG23 VAL 5 HG23 VAL 5 9.116 -1.135 -4.130 32 H TYR 6 H TYR 6 8.562 -4.417 -8.051 33 HA TYR 6 HA TYR 6 5.910 -5.462 -8.264 34 HB2 TYR 6 HB2 TYR 6 8.576 -6.427 -9.299 35 HB3 TYR 6 HB3 TYR 6 7.063 -7.267 -9.619 36 HD1 TYR 6 HD1 TYR 6 8.766 -3.990 -10.055 37 HD2 TYR 6 HD2 TYR 6 5.699 -6.611 -11.406 38 HE1 TYR 6 HE1 TYR 6 8.367 -2.519 -11.985 39 HE2 TYR 6 HE2 TYR 6 5.293 -5.148 -13.340 40 HH TYR 6 HH TYR 6 7.107 -2.126 -13.772 41 H THR 7 H THR 7 5.152 -6.290 -6.375 42 HA THR 7 HA THR 7 6.635 -8.577 -5.254 43 HB THR 7 HB THR 7 5.208 -7.882 -3.115 44 HG1 THR 7 HG1 THR 7 4.255 -6.051 -4.064 45 HG21 THR 7 HG21 THR 7 7.184 -6.674 -2.284 46 HG22 THR 7 HG22 THR 7 7.800 -6.562 -3.932 47 HG23 THR 7 HG23 THR 7 7.633 -8.137 -3.159 48 H CYS 8 H CYS 8 3.404 -7.092 -5.477 49 HA CYS 8 HA CYS 8 2.277 -9.810 -5.650 50 HB2 CYS 8 HB2 CYS 8 0.939 -7.366 -4.470 51 HB3 CYS 8 HB3 CYS 8 0.264 -8.990 -4.545 52 H ARG 9 H ARG 9 0.013 -9.739 -6.683 53 HA ARG 9 HA ARG 9 0.291 -8.333 -9.218 54 HB2 ARG 9 HB2 ARG 9 -1.372 -10.628 -8.246 55 HB3 ARG 9 HB3 ARG 9 -1.853 -9.758 -9.696 56 HG2 ARG 9 HG2 ARG 9 0.873 -10.968 -9.326 57 HG3 ARG 9 HG3 ARG 9 -0.480 -11.817 -10.076 58 HD2 ARG 9 HD2 ARG 9 0.342 -9.113 -11.057 59 HD3 ARG 9 HD3 ARG 9 1.227 -10.550 -11.568 60 HE ARG 9 HE ARG 9 -1.329 -9.709 -12.485 61 HH11 ARG 9 HH11 ARG 9 0.577 -12.534 -11.772 62 HH12 ARG 9 HH12 ARG 9 -0.272 -13.550 -12.889 63 HH21 ARG 9 HH21 ARG 9 -2.455 -11.036 -13.960 64 HH22 ARG 9 HH22 ARG 9 -1.996 -12.696 -14.134 65 HA PRO 10 HA PRO 10 -2.762 -5.263 -8.510 66 HB2 PRO 10 HB2 PRO 10 -4.014 -5.134 -10.916 67 HB3 PRO 10 HB3 PRO 10 -2.375 -4.527 -10.652 68 HG2 PRO 10 HG2 PRO 10 -3.264 -7.125 -11.845 69 HG3 PRO 10 HG3 PRO 10 -1.978 -6.029 -12.383 70 HD2 PRO 10 HD2 PRO 10 -1.475 -8.281 -10.966 71 HD3 PRO 10 HD3 PRO 10 -0.479 -6.819 -10.820 72 H GLY 11 H GLY 11 -5.140 -4.795 -8.642 73 HA2 GLY 11 HA2 GLY 11 -7.383 -5.456 -8.601 74 HA3 GLY 11 HA3 GLY 11 -6.876 -7.115 -8.882 75 H GLN 12 H GLN 12 -5.176 -7.621 -6.835 76 HA GLN 12 HA GLN 12 -6.934 -8.104 -4.685 77 HB2 GLN 12 HB2 GLN 12 -4.765 -9.347 -5.383 78 HB3 GLN 12 HB3 GLN 12 -3.947 -8.148 -4.390 79 HG2 GLN 12 HG2 GLN 12 -4.291 -10.081 -3.059 80 HG3 GLN 12 HG3 GLN 12 -5.397 -8.834 -2.488 81 HE21 GLN 12 HE21 GLN 12 -5.085 -11.965 -3.808 82 HE22 GLN 12 HE22 GLN 12 -6.766 -12.352 -3.885 83 H THR 13 H THR 13 -7.090 -7.196 -2.650 84 HA THR 13 HA THR 13 -6.361 -4.399 -2.496 85 HB THR 13 HB THR 13 -8.583 -4.999 -1.756 86 HG1 THR 13 HG1 THR 13 -7.123 -4.442 0.613 87 HG21 THR 13 HG21 THR 13 -8.480 -7.222 -1.055 88 HG22 THR 13 HG22 THR 13 -8.719 -6.338 0.452 89 HG23 THR 13 HG23 THR 13 -7.113 -6.921 0.017 90 H CYS 14 H CYS 14 -5.023 -3.455 -0.976 91 HA CYS 14 HA CYS 14 -2.898 -5.126 0.012 92 HB2 CYS 14 HB2 CYS 14 -2.301 -2.976 -0.885 93 HB3 CYS 14 HB3 CYS 14 -3.413 -2.155 0.206 94 H CYS 15 H CYS 15 -2.405 -5.625 2.108 95 HA CYS 15 HA CYS 15 -4.415 -4.887 4.134 96 HB2 CYS 15 HB2 CYS 15 -3.790 -7.094 5.224 97 HB3 CYS 15 HB3 CYS 15 -4.696 -7.208 3.719 98 H ARG 16 H ARG 16 -3.699 -4.447 6.227 99 HA ARG 16 HA ARG 16 -0.856 -3.740 6.392 100 HB2 ARG 16 HB2 ARG 16 -3.056 -2.853 8.256 101 HB3 ARG 16 HB3 ARG 16 -1.451 -2.158 8.077 102 HG2 ARG 16 HG2 ARG 16 -2.106 -1.550 5.719 103 HG3 ARG 16 HG3 ARG 16 -3.754 -2.004 6.157 104 HD2 ARG 16 HD2 ARG 16 -3.834 0.226 6.632 105 HD3 ARG 16 HD3 ARG 16 -3.283 -0.388 8.190 106 HE ARG 16 HE ARG 16 -0.986 0.130 6.810 107 HH11 ARG 16 HH11 ARG 16 -3.799 1.983 7.691 108 HH12 ARG 16 HH12 ARG 16 -2.942 3.486 7.779 109 HH21 ARG 16 HH21 ARG 16 0.153 2.103 6.922 110 HH22 ARG 16 HH22 ARG 16 -0.695 3.554 7.340 111 H GLY 17 H GLY 17 0.485 -4.661 7.840 112 HA2 GLY 17 HA2 GLY 17 -0.272 -5.809 10.289 113 HA3 GLY 17 HA3 GLY 17 -0.199 -7.085 9.082 114 H LEU 18 H LEU 18 1.799 -7.635 8.151 115 HA LEU 18 HA LEU 18 3.987 -7.678 9.831 116 HB2 LEU 18 HB2 LEU 18 3.358 -8.634 7.284 117 HB3 LEU 18 HB3 LEU 18 4.827 -7.683 7.070 118 HG LEU 18 HG LEU 18 5.391 -9.238 9.281 119 HD11 LEU 18 HD11 LEU 18 4.754 -11.465 8.824 120 HD12 LEU 18 HD12 LEU 18 4.092 -11.033 7.248 121 HD13 LEU 18 HD13 LEU 18 3.279 -10.505 8.721 122 HD21 LEU 18 HD21 LEU 18 6.118 -9.187 6.417 123 HD22 LEU 18 HD22 LEU 18 6.548 -10.643 7.315 124 HD23 LEU 18 HD23 LEU 18 7.137 -9.069 7.852 125 H HIS 19 H HIS 19 6.177 -6.740 9.398 126 HA HIS 19 HA HIS 19 6.222 -4.013 9.717 127 HB2 HIS 19 HB2 HIS 19 8.107 -5.834 9.939 128 HB3 HIS 19 HB3 HIS 19 8.509 -5.326 8.301 129 HD1 HIS 19 HD1 HIS 19 10.603 -4.822 10.357 130 HD2 HIS 19 HD2 HIS 19 7.565 -2.097 9.579 131 HE1 HIS 19 HE1 HIS 19 11.474 -2.600 11.149 132 H GLY 20 H GLY 20 6.235 -5.856 6.729 133 HA2 GLY 20 HA2 GLY 20 6.348 -3.330 5.208 134 HA3 GLY 20 HA3 GLY 20 6.769 -4.910 4.564 135 H TYR 21 H TYR 21 4.869 -2.915 3.555 136 HA TYR 21 HA TYR 21 2.216 -3.478 4.043 137 HB2 TYR 21 HB2 TYR 21 3.587 -2.707 1.465 138 HB3 TYR 21 HB3 TYR 21 1.837 -2.776 1.641 139 HD1 TYR 21 HD1 TYR 21 0.759 -1.288 3.412 140 HD2 TYR 21 HD2 TYR 21 4.777 -0.792 2.106 141 HE1 TYR 21 HE1 TYR 21 0.751 1.012 4.282 142 HE2 TYR 21 HE2 TYR 21 4.781 1.509 2.974 143 HH TYR 21 HH TYR 21 3.597 3.112 3.947 144 H GLY 22 H GLY 22 0.844 -5.098 3.588 145 HA2 GLY 22 HA2 GLY 22 1.918 -7.360 2.024 146 HA3 GLY 22 HA3 GLY 22 0.768 -7.520 3.343 147 H CYS 23 H CYS 23 0.266 -8.715 0.930 148 HA CYS 23 HA CYS 23 -1.893 -7.041 -0.176 149 HB2 CYS 23 HB2 CYS 23 -1.603 -8.448 -2.270 150 HB3 CYS 23 HB3 CYS 23 -0.302 -7.316 -1.918 151 H CYS 24 H CYS 24 -3.794 -7.743 0.520 152 HA CYS 24 HA CYS 24 -4.318 -10.632 0.497 153 HB2 CYS 24 HB2 CYS 24 -5.310 -8.809 2.691 154 HB3 CYS 24 HB3 CYS 24 -5.432 -10.564 2.615 Start of MODEL 9 1 H1 CYS 1 H CYS 1 1.623 2.903 1.680 2 HA CYS 1 HA CYS 1 2.677 1.865 -0.049 3 HB2 CYS 1 HB2 CYS 1 1.736 -0.364 -0.809 4 HB3 CYS 1 HB3 CYS 1 2.159 -0.254 0.897 5 HA PRO 2 HA PRO 2 -0.390 3.890 -2.894 6 HB2 PRO 2 HB2 PRO 2 1.346 5.765 -3.813 7 HB3 PRO 2 HB3 PRO 2 0.374 5.989 -2.353 8 HG2 PRO 2 HG2 PRO 2 3.238 5.157 -2.613 9 HG3 PRO 2 HG3 PRO 2 2.504 6.300 -1.474 10 HD2 PRO 2 HD2 PRO 2 3.123 3.755 -0.787 11 HD3 PRO 2 HD3 PRO 2 1.743 4.625 -0.086 12 H ASP 3 H ASP 3 3.089 3.368 -3.477 13 HA ASP 3 HA ASP 3 2.429 1.836 -5.869 14 HB2 ASP 3 HB2 ASP 3 4.238 3.092 -7.139 15 HB3 ASP 3 HB3 ASP 3 2.735 3.970 -6.865 16 HA PRO 4 HA PRO 4 5.868 0.101 -3.236 17 HB2 PRO 4 HB2 PRO 4 4.769 -2.368 -2.983 18 HB3 PRO 4 HB3 PRO 4 4.405 -1.038 -1.879 19 HG2 PRO 4 HG2 PRO 4 2.824 -2.049 -4.210 20 HG3 PRO 4 HG3 PRO 4 2.258 -1.562 -2.602 21 HD2 PRO 4 HD2 PRO 4 2.066 0.055 -4.765 22 HD3 PRO 4 HD3 PRO 4 2.316 0.683 -3.124 23 H VAL 5 H VAL 5 7.044 -2.048 -3.677 24 HA VAL 5 HA VAL 5 7.887 -2.083 -6.359 25 HB VAL 5 HB VAL 5 9.332 -2.808 -4.515 26 HG11 VAL 5 HG11 VAL 5 7.789 -5.380 -4.403 27 HG12 VAL 5 HG12 VAL 5 9.008 -4.771 -3.281 28 HG13 VAL 5 HG13 VAL 5 7.410 -4.024 -3.341 29 HG21 VAL 5 HG21 VAL 5 9.629 -3.597 -6.904 30 HG22 VAL 5 HG22 VAL 5 10.428 -4.559 -5.661 31 HG23 VAL 5 HG23 VAL 5 8.924 -5.128 -6.385 32 H TYR 6 H TYR 6 7.588 -3.583 -8.011 33 HA TYR 6 HA TYR 6 4.992 -4.846 -8.031 34 HB2 TYR 6 HB2 TYR 6 7.157 -4.672 -10.135 35 HB3 TYR 6 HB3 TYR 6 5.576 -5.400 -10.394 36 HD1 TYR 6 HD1 TYR 6 3.672 -4.061 -10.854 37 HD2 TYR 6 HD2 TYR 6 7.318 -2.221 -9.659 38 HE1 TYR 6 HE1 TYR 6 2.756 -1.862 -11.464 39 HE2 TYR 6 HE2 TYR 6 6.411 -0.017 -10.266 40 HH TYR 6 HH TYR 6 3.569 0.362 -12.089 41 H THR 7 H THR 7 4.975 -6.636 -6.758 42 HA THR 7 HA THR 7 6.693 -8.857 -7.622 43 HB THR 7 HB THR 7 6.858 -9.602 -5.231 44 HG1 THR 7 HG1 THR 7 5.248 -8.394 -4.260 45 HG21 THR 7 HG21 THR 7 8.121 -7.021 -6.124 46 HG22 THR 7 HG22 THR 7 8.813 -8.643 -6.130 47 HG23 THR 7 HG23 THR 7 8.556 -7.800 -4.603 48 H CYS 8 H CYS 8 3.793 -7.837 -5.869 49 HA CYS 8 HA CYS 8 2.658 -10.481 -5.856 50 HB2 CYS 8 HB2 CYS 8 1.832 -7.782 -4.915 51 HB3 CYS 8 HB3 CYS 8 0.553 -8.948 -5.242 52 H ARG 9 H ARG 9 0.180 -10.463 -6.617 53 HA ARG 9 HA ARG 9 0.313 -9.933 -9.488 54 HB2 ARG 9 HB2 ARG 9 -1.341 -11.735 -7.758 55 HB3 ARG 9 HB3 ARG 9 -1.918 -11.298 -9.360 56 HG2 ARG 9 HG2 ARG 9 0.783 -12.517 -8.852 57 HG3 ARG 9 HG3 ARG 9 -0.663 -13.460 -9.216 58 HD2 ARG 9 HD2 ARG 9 0.167 -11.217 -11.012 59 HD3 ARG 9 HD3 ARG 9 0.953 -12.790 -11.137 60 HE ARG 9 HE ARG 9 -1.776 -13.257 -11.183 61 HH11 ARG 9 HH11 ARG 9 0.583 -11.573 -13.112 62 HH12 ARG 9 HH12 ARG 9 -0.278 -11.801 -14.598 63 HH21 ARG 9 HH21 ARG 9 -2.919 -13.564 -13.133 64 HH22 ARG 9 HH22 ARG 9 -2.270 -12.933 -14.609 65 HA PRO 10 HA PRO 10 -2.549 -6.609 -9.502 66 HB2 PRO 10 HB2 PRO 10 -4.013 -7.119 -11.731 67 HB3 PRO 10 HB3 PRO 10 -2.335 -6.565 -11.790 68 HG2 PRO 10 HG2 PRO 10 -3.426 -9.338 -12.076 69 HG3 PRO 10 HG3 PRO 10 -2.155 -8.533 -13.015 70 HD2 PRO 10 HD2 PRO 10 -1.606 -10.293 -11.032 71 HD3 PRO 10 HD3 PRO 10 -0.548 -8.918 -11.409 72 H GLY 11 H GLY 11 -4.818 -6.008 -9.346 73 HA2 GLY 11 HA2 GLY 11 -7.081 -6.424 -8.915 74 HA3 GLY 11 HA3 GLY 11 -6.742 -8.148 -8.924 75 H GLN 12 H GLN 12 -4.748 -8.332 -7.033 76 HA GLN 12 HA GLN 12 -6.232 -8.335 -4.638 77 HB2 GLN 12 HB2 GLN 12 -3.360 -8.813 -5.331 78 HB3 GLN 12 HB3 GLN 12 -3.828 -8.675 -3.642 79 HG2 GLN 12 HG2 GLN 12 -5.159 -10.584 -5.536 80 HG3 GLN 12 HG3 GLN 12 -3.720 -11.005 -4.610 81 HE21 GLN 12 HE21 GLN 12 -7.087 -10.070 -4.393 82 HE22 GLN 12 HE22 GLN 12 -7.355 -10.690 -2.803 83 H THR 13 H THR 13 -6.139 -7.046 -2.817 84 HA THR 13 HA THR 13 -5.207 -4.320 -3.295 85 HB THR 13 HB THR 13 -7.532 -4.694 -2.491 86 HG1 THR 13 HG1 THR 13 -5.905 -3.310 -0.603 87 HG21 THR 13 HG21 THR 13 -6.882 -6.632 -0.992 88 HG22 THR 13 HG22 THR 13 -7.992 -5.454 -0.291 89 HG23 THR 13 HG23 THR 13 -6.285 -5.429 0.151 90 H CYS 14 H CYS 14 -3.790 -3.230 -1.950 91 HA CYS 14 HA CYS 14 -1.876 -4.879 -0.574 92 HB2 CYS 14 HB2 CYS 14 -1.028 -3.036 -1.862 93 HB3 CYS 14 HB3 CYS 14 -2.062 -1.895 -1.008 94 H CYS 15 H CYS 15 -1.648 -5.188 1.561 95 HA CYS 15 HA CYS 15 -3.360 -3.615 3.372 96 HB2 CYS 15 HB2 CYS 15 -3.447 -5.752 4.773 97 HB3 CYS 15 HB3 CYS 15 -4.402 -5.732 3.295 98 H ARG 16 H ARG 16 -2.456 -2.905 5.245 99 HA ARG 16 HA ARG 16 0.426 -3.372 5.548 100 HB2 ARG 16 HB2 ARG 16 -0.545 -1.020 5.294 101 HB3 ARG 16 HB3 ARG 16 -1.184 -1.227 6.919 102 HG2 ARG 16 HG2 ARG 16 1.191 -1.717 7.643 103 HG3 ARG 16 HG3 ARG 16 1.688 -1.137 6.052 104 HD2 ARG 16 HD2 ARG 16 1.858 0.772 7.345 105 HD3 ARG 16 HD3 ARG 16 0.250 0.939 6.643 106 HE ARG 16 HE ARG 16 -0.615 0.826 8.747 107 HH11 ARG 16 HH11 ARG 16 2.574 -0.570 8.783 108 HH12 ARG 16 HH12 ARG 16 2.598 -0.797 10.500 109 HH21 ARG 16 HH21 ARG 16 -0.596 0.531 11.009 110 HH22 ARG 16 HH22 ARG 16 0.793 -0.171 11.766 111 H GLY 17 H GLY 17 -1.247 -5.420 6.417 112 HA2 GLY 17 HA2 GLY 17 -1.983 -5.279 9.129 113 HA3 GLY 17 HA3 GLY 17 -1.655 -6.757 8.237 114 H LEU 18 H LEU 18 0.607 -7.426 8.041 115 HA LEU 18 HA LEU 18 1.902 -7.611 10.468 116 HB2 LEU 18 HB2 LEU 18 2.833 -7.938 7.644 117 HB3 LEU 18 HB3 LEU 18 3.969 -8.098 8.981 118 HG LEU 18 HG LEU 18 1.458 -9.739 8.849 119 HD11 LEU 18 HD11 LEU 18 3.975 -10.049 7.312 120 HD12 LEU 18 HD12 LEU 18 2.324 -10.504 6.891 121 HD13 LEU 18 HD13 LEU 18 3.253 -11.498 8.014 122 HD21 LEU 18 HD21 LEU 18 3.848 -10.919 9.977 123 HD22 LEU 18 HD22 LEU 18 2.247 -10.715 10.688 124 HD23 LEU 18 HD23 LEU 18 3.425 -9.404 10.775 125 H HIS 19 H HIS 19 4.126 -6.823 11.003 126 HA HIS 19 HA HIS 19 4.205 -4.100 11.367 127 HB2 HIS 19 HB2 HIS 19 6.616 -4.372 11.847 128 HB3 HIS 19 HB3 HIS 19 5.639 -5.616 12.619 129 HD1 HIS 19 HD1 HIS 19 5.845 -8.038 11.674 130 HD2 HIS 19 HD2 HIS 19 8.435 -5.282 9.954 131 HE1 HIS 19 HE1 HIS 19 7.549 -9.404 10.426 132 H GLY 20 H GLY 20 5.367 -5.974 8.633 133 HA2 GLY 20 HA2 GLY 20 6.336 -3.502 7.361 134 HA3 GLY 20 HA3 GLY 20 6.777 -5.133 6.879 135 H TYR 21 H TYR 21 5.539 -2.760 5.450 136 HA TYR 21 HA TYR 21 2.895 -3.169 4.783 137 HB2 TYR 21 HB2 TYR 21 5.235 -1.980 3.383 138 HB3 TYR 21 HB3 TYR 21 3.807 -2.327 2.414 139 HD1 TYR 21 HD1 TYR 21 1.637 -1.238 2.992 140 HD2 TYR 21 HD2 TYR 21 5.286 -0.142 4.887 141 HE1 TYR 21 HE1 TYR 21 0.602 0.858 3.759 142 HE2 TYR 21 HE2 TYR 21 4.261 1.956 5.660 143 HH TYR 21 HH TYR 21 2.372 3.132 5.825 144 H GLY 22 H GLY 22 1.805 -4.731 3.784 145 HA2 GLY 22 HA2 GLY 22 3.320 -6.612 2.082 146 HA3 GLY 22 HA3 GLY 22 2.105 -7.162 3.227 147 H CYS 23 H CYS 23 1.885 -7.911 0.627 148 HA CYS 23 HA CYS 23 -0.357 -6.262 -0.344 149 HB2 CYS 23 HB2 CYS 23 0.250 -7.222 -2.632 150 HB3 CYS 23 HB3 CYS 23 1.341 -6.009 -1.969 151 H CYS 24 H CYS 24 -2.245 -7.255 -0.202 152 HA CYS 24 HA CYS 24 -2.380 -10.147 -0.679 153 HB2 CYS 24 HB2 CYS 24 -3.911 -10.441 1.209 154 HB3 CYS 24 HB3 CYS 24 -2.356 -9.823 1.757 Start of MODEL 10 1 H1 CYS 1 H CYS 1 -2.714 1.905 -3.215 2 HA CYS 1 HA CYS 1 -1.019 1.294 -1.778 3 HB2 CYS 1 HB2 CYS 1 -2.212 -1.044 -1.900 4 HB3 CYS 1 HB3 CYS 1 -0.856 -1.459 -2.944 5 HA PRO 2 HA PRO 2 1.520 1.914 -5.642 6 HB2 PRO 2 HB2 PRO 2 2.344 4.420 -4.999 7 HB3 PRO 2 HB3 PRO 2 0.840 4.097 -5.870 8 HG2 PRO 2 HG2 PRO 2 1.258 4.669 -2.962 9 HG3 PRO 2 HG3 PRO 2 0.009 5.290 -4.056 10 HD2 PRO 2 HD2 PRO 2 -0.453 3.269 -2.315 11 HD3 PRO 2 HD3 PRO 2 -1.266 3.377 -3.890 12 H ASP 3 H ASP 3 3.589 1.284 -5.670 13 HA ASP 3 HA ASP 3 5.348 1.935 -3.435 14 HB2 ASP 3 HB2 ASP 3 6.142 -0.579 -3.662 15 HB3 ASP 3 HB3 ASP 3 4.812 -0.138 -2.595 16 HA PRO 4 HA PRO 4 8.438 2.402 -6.511 17 HB2 PRO 4 HB2 PRO 4 10.668 1.520 -5.239 18 HB3 PRO 4 HB3 PRO 4 9.873 3.046 -4.837 19 HG2 PRO 4 HG2 PRO 4 9.677 0.391 -3.468 20 HG3 PRO 4 HG3 PRO 4 9.833 2.008 -2.757 21 HD2 PRO 4 HD2 PRO 4 7.464 0.705 -2.910 22 HD3 PRO 4 HD3 PRO 4 7.589 2.473 -3.012 23 H VAL 5 H VAL 5 8.529 -0.751 -4.876 24 HA VAL 5 HA VAL 5 9.602 -1.972 -7.318 25 HB VAL 5 HB VAL 5 9.254 -3.238 -4.598 26 HG11 VAL 5 HG11 VAL 5 11.216 -4.621 -5.840 27 HG12 VAL 5 HG12 VAL 5 9.512 -5.083 -5.868 28 HG13 VAL 5 HG13 VAL 5 10.206 -4.184 -7.218 29 HG21 VAL 5 HG21 VAL 5 11.054 -2.126 -3.926 30 HG22 VAL 5 HG22 VAL 5 11.981 -2.867 -5.231 31 HG23 VAL 5 HG23 VAL 5 11.173 -1.322 -5.492 32 H TYR 6 H TYR 6 8.131 -2.692 -8.705 33 HA TYR 6 HA TYR 6 5.471 -3.417 -7.823 34 HB2 TYR 6 HB2 TYR 6 6.783 -3.195 -10.525 35 HB3 TYR 6 HB3 TYR 6 5.168 -3.867 -10.331 36 HD1 TYR 6 HD1 TYR 6 3.750 -2.238 -8.551 37 HD2 TYR 6 HD2 TYR 6 6.746 -1.039 -11.324 38 HE1 TYR 6 HE1 TYR 6 2.797 0.030 -8.591 39 HE2 TYR 6 HE2 TYR 6 5.803 1.232 -11.371 40 HH TYR 6 HH TYR 6 4.413 2.679 -9.876 41 H THR 7 H THR 7 5.447 -5.333 -6.776 42 HA THR 7 HA THR 7 6.451 -7.673 -8.260 43 HB THR 7 HB THR 7 6.607 -8.678 -5.828 44 HG1 THR 7 HG1 THR 7 7.264 -5.970 -5.286 45 HG21 THR 7 HG21 THR 7 8.597 -6.904 -7.214 46 HG22 THR 7 HG22 THR 7 8.543 -8.665 -7.151 47 HG23 THR 7 HG23 THR 7 8.998 -7.745 -5.717 48 H CYS 8 H CYS 8 4.107 -6.473 -5.892 49 HA CYS 8 HA CYS 8 2.549 -8.785 -5.669 50 HB2 CYS 8 HB2 CYS 8 2.065 -5.872 -5.212 51 HB3 CYS 8 HB3 CYS 8 0.685 -6.965 -5.212 52 H ARG 9 H ARG 9 0.084 -8.615 -6.373 53 HA ARG 9 HA ARG 9 0.042 -8.037 -9.263 54 HB2 ARG 9 HB2 ARG 9 -1.660 -9.979 -9.322 55 HB3 ARG 9 HB3 ARG 9 0.051 -10.368 -9.204 56 HG2 ARG 9 HG2 ARG 9 -0.190 -10.696 -6.793 57 HG3 ARG 9 HG3 ARG 9 -1.908 -10.313 -6.918 58 HD2 ARG 9 HD2 ARG 9 -1.423 -12.295 -8.838 59 HD3 ARG 9 HD3 ARG 9 -0.549 -12.804 -7.393 60 HE ARG 9 HE ARG 9 -2.556 -13.163 -6.338 61 HH11 ARG 9 HH11 ARG 9 -3.088 -11.350 -9.262 62 HH12 ARG 9 HH12 ARG 9 -4.813 -11.496 -9.193 63 HH21 ARG 9 HH21 ARG 9 -4.826 -13.363 -6.236 64 HH22 ARG 9 HH22 ARG 9 -5.800 -12.641 -7.471 65 HA PRO 10 HA PRO 10 -3.598 -5.664 -8.655 66 HB2 PRO 10 HB2 PRO 10 -5.007 -6.215 -10.909 67 HB3 PRO 10 HB3 PRO 10 -3.551 -5.212 -10.907 68 HG2 PRO 10 HG2 PRO 10 -3.860 -8.101 -11.627 69 HG3 PRO 10 HG3 PRO 10 -2.920 -6.839 -12.444 70 HD2 PRO 10 HD2 PRO 10 -1.786 -8.658 -10.789 71 HD3 PRO 10 HD3 PRO 10 -1.169 -7.001 -10.954 72 H GLY 11 H GLY 11 -5.923 -5.752 -8.342 73 HA2 GLY 11 HA2 GLY 11 -7.955 -6.838 -7.935 74 HA3 GLY 11 HA3 GLY 11 -7.172 -8.377 -8.259 75 H GLN 12 H GLN 12 -5.119 -8.442 -6.496 76 HA GLN 12 HA GLN 12 -6.402 -9.146 -4.087 77 HB2 GLN 12 HB2 GLN 12 -3.519 -8.844 -4.883 78 HB3 GLN 12 HB3 GLN 12 -3.967 -9.239 -3.229 79 HG2 GLN 12 HG2 GLN 12 -5.127 -10.878 -5.411 80 HG3 GLN 12 HG3 GLN 12 -3.422 -11.098 -5.021 81 HE21 GLN 12 HE21 GLN 12 -6.656 -11.063 -3.615 82 HE22 GLN 12 HE22 GLN 12 -6.316 -12.192 -2.353 83 H THR 13 H THR 13 -6.462 -8.173 -2.086 84 HA THR 13 HA THR 13 -6.268 -5.287 -2.101 85 HB THR 13 HB THR 13 -8.188 -6.410 -1.023 86 HG1 THR 13 HG1 THR 13 -6.744 -5.132 1.039 87 HG21 THR 13 HG21 THR 13 -7.984 -8.022 0.520 88 HG22 THR 13 HG22 THR 13 -6.768 -7.117 1.422 89 HG23 THR 13 HG23 THR 13 -6.289 -8.106 0.042 90 H CYS 14 H CYS 14 -4.838 -4.040 -0.989 91 HA CYS 14 HA CYS 14 -2.395 -5.318 -0.120 92 HB2 CYS 14 HB2 CYS 14 -2.749 -3.050 -1.437 93 HB3 CYS 14 HB3 CYS 14 -2.863 -2.383 0.188 94 H CYS 15 H CYS 15 -1.652 -5.518 1.926 95 HA CYS 15 HA CYS 15 -3.267 -4.361 4.096 96 HB2 CYS 15 HB2 CYS 15 -2.765 -6.506 5.377 97 HB3 CYS 15 HB3 CYS 15 -3.945 -6.629 4.075 98 H ARG 16 H ARG 16 -2.148 -3.922 6.042 99 HA ARG 16 HA ARG 16 0.780 -3.805 5.726 100 HB2 ARG 16 HB2 ARG 16 0.607 -1.846 7.346 101 HB3 ARG 16 HB3 ARG 16 0.013 -1.574 5.713 102 HG2 ARG 16 HG2 ARG 16 -1.978 -2.514 7.672 103 HG3 ARG 16 HG3 ARG 16 -1.339 -0.889 7.922 104 HD2 ARG 16 HD2 ARG 16 -1.812 -0.722 5.314 105 HD3 ARG 16 HD3 ARG 16 -2.996 -1.967 5.708 106 HE ARG 16 HE ARG 16 -3.144 0.812 6.356 107 HH11 ARG 16 HH11 ARG 16 -4.082 -2.378 7.388 108 HH12 ARG 16 HH12 ARG 16 -5.470 -1.827 8.267 109 HH21 ARG 16 HH21 ARG 16 -4.969 1.550 7.510 110 HH22 ARG 16 HH22 ARG 16 -5.974 0.407 8.335 111 H GLY 17 H GLY 17 -0.577 -6.058 6.804 112 HA2 GLY 17 HA2 GLY 17 -0.725 -6.046 9.616 113 HA3 GLY 17 HA3 GLY 17 -0.507 -7.472 8.611 114 H LEU 18 H LEU 18 1.662 -8.065 7.993 115 HA LEU 18 HA LEU 18 3.465 -8.140 10.080 116 HB2 LEU 18 HB2 LEU 18 5.173 -8.643 8.232 117 HB3 LEU 18 HB3 LEU 18 3.798 -9.728 8.427 118 HG LEU 18 HG LEU 18 3.347 -7.587 6.483 119 HD11 LEU 18 HD11 LEU 18 4.764 -8.546 4.753 120 HD12 LEU 18 HD12 LEU 18 5.448 -9.675 5.922 121 HD13 LEU 18 HD13 LEU 18 5.735 -7.944 6.097 122 HD21 LEU 18 HD21 LEU 18 3.210 -10.548 6.043 123 HD22 LEU 18 HD22 LEU 18 2.246 -9.269 5.306 124 HD23 LEU 18 HD23 LEU 18 1.986 -9.708 6.995 125 H HIS 19 H HIS 19 5.715 -7.258 10.102 126 HA HIS 19 HA HIS 19 5.756 -4.520 10.375 127 HB2 HIS 19 HB2 HIS 19 7.943 -6.531 9.929 128 HB3 HIS 19 HB3 HIS 19 8.319 -4.815 10.059 129 HD1 HIS 19 HD1 HIS 19 9.670 -5.764 12.229 130 HD2 HIS 19 HD2 HIS 19 5.522 -5.708 12.462 131 HE1 HIS 19 HE1 HIS 19 9.132 -5.939 14.680 132 H GLY 20 H GLY 20 6.413 -6.450 7.512 133 HA2 GLY 20 HA2 GLY 20 7.058 -4.017 5.998 134 HA3 GLY 20 HA3 GLY 20 7.338 -5.667 5.459 135 H TYR 21 H TYR 21 5.869 -3.292 4.291 136 HA TYR 21 HA TYR 21 3.106 -3.870 4.257 137 HB2 TYR 21 HB2 TYR 21 4.944 -2.220 2.574 138 HB3 TYR 21 HB3 TYR 21 3.322 -2.551 1.979 139 HD1 TYR 21 HD1 TYR 21 5.268 -0.918 4.644 140 HD2 TYR 21 HD2 TYR 21 1.402 -1.511 2.970 141 HE1 TYR 21 HE1 TYR 21 4.396 0.923 6.022 142 HE2 TYR 21 HE2 TYR 21 0.519 0.329 4.343 143 HH TYR 21 HH TYR 21 2.536 1.967 6.737 144 H GLY 22 H GLY 22 1.904 -5.232 3.059 145 HA2 GLY 22 HA2 GLY 22 3.060 -6.502 0.698 146 HA3 GLY 22 HA3 GLY 22 2.640 -7.562 2.035 147 H CYS 23 H CYS 23 1.416 -8.172 -0.197 148 HA CYS 23 HA CYS 23 -1.265 -6.962 -0.002 149 HB2 CYS 23 HB2 CYS 23 -1.585 -7.806 -2.349 150 HB3 CYS 23 HB3 CYS 23 -0.370 -6.542 -2.184 151 H CYS 24 H CYS 24 -2.789 -8.215 0.830 152 HA CYS 24 HA CYS 24 -2.659 -11.112 0.404 153 HB2 CYS 24 HB2 CYS 24 -3.229 -11.545 2.746 154 HB3 CYS 24 HB3 CYS 24 -1.698 -10.684 2.625 Start of MODEL 11 1 H1 CYS 1 H CYS 1 -0.973 -1.586 -4.851 2 HA CYS 1 HA CYS 1 -0.635 -1.544 -2.290 3 HB2 CYS 1 HB2 CYS 1 1.887 -2.689 -3.407 4 HB3 CYS 1 HB3 CYS 1 1.997 -1.636 -2.000 5 HA PRO 2 HA PRO 2 0.354 2.676 -2.958 6 HB2 PRO 2 HB2 PRO 2 1.525 3.381 -0.612 7 HB3 PRO 2 HB3 PRO 2 -0.206 3.057 -0.763 8 HG2 PRO 2 HG2 PRO 2 1.975 1.269 0.240 9 HG3 PRO 2 HG3 PRO 2 0.350 1.528 0.899 10 HD2 PRO 2 HD2 PRO 2 0.982 -0.626 -0.614 11 HD3 PRO 2 HD3 PRO 2 -0.633 0.111 -0.630 12 H ASP 3 H ASP 3 2.994 0.667 -1.747 13 HA ASP 3 HA ASP 3 5.079 2.488 -2.381 14 HB2 ASP 3 HB2 ASP 3 4.903 -0.376 -1.593 15 HB3 ASP 3 HB3 ASP 3 6.389 0.158 -2.372 16 HA PRO 4 HA PRO 4 5.719 1.918 -6.681 17 HB2 PRO 4 HB2 PRO 4 8.427 1.873 -6.872 18 HB3 PRO 4 HB3 PRO 4 7.514 3.342 -6.508 19 HG2 PRO 4 HG2 PRO 4 8.962 1.500 -4.644 20 HG3 PRO 4 HG3 PRO 4 8.926 3.273 -4.662 21 HD2 PRO 4 HD2 PRO 4 7.424 1.801 -2.956 22 HD3 PRO 4 HD3 PRO 4 6.884 3.367 -3.596 23 H VAL 5 H VAL 5 7.773 -0.210 -4.699 24 HA VAL 5 HA VAL 5 8.415 -2.103 -6.626 25 HB VAL 5 HB VAL 5 8.836 -3.658 -4.815 26 HG11 VAL 5 HG11 VAL 5 10.665 -2.519 -4.271 27 HG12 VAL 5 HG12 VAL 5 9.950 -1.107 -5.052 28 HG13 VAL 5 HG13 VAL 5 9.730 -1.365 -3.321 29 HG21 VAL 5 HG21 VAL 5 6.841 -2.009 -3.444 30 HG22 VAL 5 HG22 VAL 5 7.272 -3.703 -3.206 31 HG23 VAL 5 HG23 VAL 5 8.238 -2.433 -2.454 32 H TYR 6 H TYR 6 7.500 -4.034 -7.293 33 HA TYR 6 HA TYR 6 4.711 -4.513 -6.487 34 HB2 TYR 6 HB2 TYR 6 5.855 -4.370 -9.269 35 HB3 TYR 6 HB3 TYR 6 4.369 -5.249 -8.928 36 HD1 TYR 6 HD1 TYR 6 2.635 -3.805 -7.449 37 HD2 TYR 6 HD2 TYR 6 5.626 -2.206 -10.018 38 HE1 TYR 6 HE1 TYR 6 1.352 -1.714 -7.632 39 HE2 TYR 6 HE2 TYR 6 4.353 -0.111 -10.207 40 HH TYR 6 HH TYR 6 2.602 1.119 -8.737 41 H THR 7 H THR 7 4.873 -6.344 -5.344 42 HA THR 7 HA THR 7 6.440 -8.564 -6.482 43 HB THR 7 HB THR 7 6.691 -9.473 -4.286 44 HG1 THR 7 HG1 THR 7 4.707 -9.031 -3.355 45 HG21 THR 7 HG21 THR 7 7.071 -6.541 -3.786 46 HG22 THR 7 HG22 THR 7 8.037 -7.378 -5.001 47 HG23 THR 7 HG23 THR 7 8.100 -7.894 -3.316 48 H CYS 8 H CYS 8 3.341 -7.637 -5.102 49 HA CYS 8 HA CYS 8 2.260 -10.313 -5.503 50 HB2 CYS 8 HB2 CYS 8 1.075 -7.789 -4.336 51 HB3 CYS 8 HB3 CYS 8 0.170 -9.287 -4.534 52 H ARG 9 H ARG 9 0.033 -10.426 -6.535 53 HA ARG 9 HA ARG 9 0.225 -9.248 -9.170 54 HB2 ARG 9 HB2 ARG 9 -1.490 -11.350 -7.901 55 HB3 ARG 9 HB3 ARG 9 -1.993 -10.622 -9.421 56 HG2 ARG 9 HG2 ARG 9 0.670 -11.952 -8.978 57 HG3 ARG 9 HG3 ARG 9 -0.742 -12.745 -9.680 58 HD2 ARG 9 HD2 ARG 9 -0.768 -11.036 -11.464 59 HD3 ARG 9 HD3 ARG 9 0.697 -10.334 -10.781 60 HE ARG 9 HE ARG 9 1.915 -12.034 -11.720 61 HH11 ARG 9 HH11 ARG 9 -1.468 -12.854 -11.802 62 HH12 ARG 9 HH12 ARG 9 -1.239 -14.249 -12.804 63 HH21 ARG 9 HH21 ARG 9 2.229 -13.869 -13.039 64 HH22 ARG 9 HH22 ARG 9 0.864 -14.826 -13.506 65 HA PRO 10 HA PRO 10 -2.679 -5.990 -8.730 66 HB2 PRO 10 HB2 PRO 10 -4.005 -6.079 -11.097 67 HB3 PRO 10 HB3 PRO 10 -2.335 -5.517 -10.952 68 HG2 PRO 10 HG2 PRO 10 -3.367 -8.192 -11.815 69 HG3 PRO 10 HG3 PRO 10 -2.057 -7.220 -12.511 70 HD2 PRO 10 HD2 PRO 10 -1.596 -9.318 -10.862 71 HD3 PRO 10 HD3 PRO 10 -0.539 -7.893 -10.913 72 H GLY 11 H GLY 11 -5.032 -5.435 -8.820 73 HA2 GLY 11 HA2 GLY 11 -7.299 -5.985 -8.637 74 HA3 GLY 11 HA3 GLY 11 -6.874 -7.685 -8.760 75 H GLN 12 H GLN 12 -5.135 -8.077 -6.732 76 HA GLN 12 HA GLN 12 -6.830 -8.233 -4.484 77 HB2 GLN 12 HB2 GLN 12 -4.723 -9.637 -5.151 78 HB3 GLN 12 HB3 GLN 12 -3.852 -8.418 -4.232 79 HG2 GLN 12 HG2 GLN 12 -4.237 -10.123 -2.702 80 HG3 GLN 12 HG3 GLN 12 -5.482 -8.929 -2.340 81 HE21 GLN 12 HE21 GLN 12 -4.894 -11.901 -4.155 82 HE22 GLN 12 HE22 GLN 12 -6.498 -12.523 -4.001 83 H THR 13 H THR 13 -6.647 -7.220 -2.436 84 HA THR 13 HA THR 13 -5.874 -4.425 -2.630 85 HB THR 13 HB THR 13 -8.040 -4.882 -1.651 86 HG1 THR 13 HG1 THR 13 -6.408 -4.158 0.545 87 HG21 THR 13 HG21 THR 13 -7.616 -5.960 0.843 88 HG22 THR 13 HG22 THR 13 -6.533 -6.906 -0.178 89 HG23 THR 13 HG23 THR 13 -8.255 -6.827 -0.553 90 H CYS 14 H CYS 14 -4.377 -3.401 -1.326 91 HA CYS 14 HA CYS 14 -2.262 -5.093 -0.312 92 HB2 CYS 14 HB2 CYS 14 -1.918 -2.953 -1.652 93 HB3 CYS 14 HB3 CYS 14 -2.380 -2.081 -0.194 94 H CYS 15 H CYS 15 -1.810 -5.519 1.765 95 HA CYS 15 HA CYS 15 -3.484 -4.220 3.812 96 HB2 CYS 15 HB2 CYS 15 -3.080 -6.300 5.158 97 HB3 CYS 15 HB3 CYS 15 -4.016 -6.556 3.689 98 H ARG 16 H ARG 16 -2.547 -3.484 5.697 99 HA ARG 16 HA ARG 16 0.392 -3.331 5.658 100 HB2 ARG 16 HB2 ARG 16 -1.565 -1.468 7.013 101 HB3 ARG 16 HB3 ARG 16 0.180 -1.268 6.938 102 HG2 ARG 16 HG2 ARG 16 0.068 -0.986 4.530 103 HG3 ARG 16 HG3 ARG 16 -1.677 -1.247 4.569 104 HD2 ARG 16 HD2 ARG 16 -2.101 0.803 5.496 105 HD3 ARG 16 HD3 ARG 16 -0.531 0.887 6.293 106 HE ARG 16 HE ARG 16 -0.177 0.992 3.502 107 HH11 ARG 16 HH11 ARG 16 -1.374 2.911 6.149 108 HH12 ARG 16 HH12 ARG 16 -1.010 4.424 5.387 109 HH21 ARG 16 HH21 ARG 16 0.306 2.978 2.489 110 HH22 ARG 16 HH22 ARG 16 -0.056 4.461 3.305 111 H GLY 17 H GLY 17 -0.455 -5.644 6.662 112 HA2 GLY 17 HA2 GLY 17 -0.894 -5.443 9.522 113 HA3 GLY 17 HA3 GLY 17 -0.771 -6.924 8.585 114 H LEU 18 H LEU 18 1.394 -7.587 7.887 115 HA LEU 18 HA LEU 18 3.196 -7.770 9.967 116 HB2 LEU 18 HB2 LEU 18 4.749 -8.680 8.415 117 HB3 LEU 18 HB3 LEU 18 3.136 -9.189 7.921 118 HG LEU 18 HG LEU 18 4.448 -6.816 6.645 119 HD11 LEU 18 HD11 LEU 18 5.228 -8.384 4.868 120 HD12 LEU 18 HD12 LEU 18 4.873 -9.718 5.965 121 HD13 LEU 18 HD13 LEU 18 6.096 -8.523 6.397 122 HD21 LEU 18 HD21 LEU 18 2.275 -8.757 5.909 123 HD22 LEU 18 HD22 LEU 18 3.042 -7.703 4.720 124 HD23 LEU 18 HD23 LEU 18 2.172 -7.005 6.087 125 H HIS 19 H HIS 19 5.484 -6.977 9.993 126 HA HIS 19 HA HIS 19 5.640 -4.260 10.351 127 HB2 HIS 19 HB2 HIS 19 7.838 -6.202 9.622 128 HB3 HIS 19 HB3 HIS 19 8.129 -4.548 10.151 129 HD1 HIS 19 HD1 HIS 19 5.628 -4.944 12.303 130 HD2 HIS 19 HD2 HIS 19 9.190 -7.058 11.982 131 HE1 HIS 19 HE1 HIS 19 6.022 -5.946 14.575 132 H GLY 20 H GLY 20 6.129 -6.097 7.399 133 HA2 GLY 20 HA2 GLY 20 6.821 -3.627 5.963 134 HA3 GLY 20 HA3 GLY 20 7.049 -5.261 5.357 135 H TYR 21 H TYR 21 5.998 -4.054 3.473 136 HA TYR 21 HA TYR 21 3.113 -3.779 3.714 137 HB2 TYR 21 HB2 TYR 21 5.138 -3.094 1.618 138 HB3 TYR 21 HB3 TYR 21 3.445 -3.244 1.162 139 HD1 TYR 21 HD1 TYR 21 1.872 -1.547 1.704 140 HD2 TYR 21 HD2 TYR 21 5.813 -1.377 3.299 141 HE1 TYR 21 HE1 TYR 21 1.458 0.755 2.466 142 HE2 TYR 21 HE2 TYR 21 5.409 0.924 4.067 143 HH TYR 21 HH TYR 21 3.051 2.269 4.692 144 H GLY 22 H GLY 22 1.690 -5.294 3.147 145 HA2 GLY 22 HA2 GLY 22 2.611 -7.488 1.399 146 HA3 GLY 22 HA3 GLY 22 1.713 -7.815 2.874 147 H CYS 23 H CYS 23 0.636 -8.886 0.741 148 HA CYS 23 HA CYS 23 -1.551 -7.064 -0.024 149 HB2 CYS 23 HB2 CYS 23 -1.783 -8.474 -2.079 150 HB3 CYS 23 HB3 CYS 23 -0.263 -7.590 -1.987 151 H CYS 24 H CYS 24 -3.501 -7.611 0.680 152 HA CYS 24 HA CYS 24 -4.127 -10.437 1.139 153 HB2 CYS 24 HB2 CYS 24 -4.839 -8.294 3.144 154 HB3 CYS 24 HB3 CYS 24 -5.041 -10.035 3.314 Start of MODEL 12 1 H1 CYS 1 H CYS 1 0.553 1.456 2.354 2 HA CYS 1 HA CYS 1 1.443 1.251 0.236 3 HB2 CYS 1 HB2 CYS 1 -1.177 -0.247 0.085 4 HB3 CYS 1 HB3 CYS 1 0.087 -0.373 -1.135 5 HA PRO 2 HA PRO 2 -1.033 4.694 -1.656 6 HB2 PRO 2 HB2 PRO 2 1.102 6.324 -2.051 7 HB3 PRO 2 HB3 PRO 2 0.189 6.286 -0.538 8 HG2 PRO 2 HG2 PRO 2 2.785 4.959 -1.219 9 HG3 PRO 2 HG3 PRO 2 2.322 5.818 0.262 10 HD2 PRO 2 HD2 PRO 2 2.325 3.116 0.085 11 HD3 PRO 2 HD3 PRO 2 1.175 4.004 1.104 12 H ASP 3 H ASP 3 2.116 3.335 -2.555 13 HA ASP 3 HA ASP 3 1.310 2.541 -5.114 14 HB2 ASP 3 HB2 ASP 3 2.848 4.226 -6.362 15 HB3 ASP 3 HB3 ASP 3 1.219 4.727 -5.917 16 HA PRO 4 HA PRO 4 5.326 0.927 -3.369 17 HB2 PRO 4 HB2 PRO 4 4.556 -1.676 -3.331 18 HB3 PRO 4 HB3 PRO 4 4.258 -0.566 -1.988 19 HG2 PRO 4 HG2 PRO 4 2.400 -1.450 -4.163 20 HG3 PRO 4 HG3 PRO 4 2.083 -1.263 -2.428 21 HD2 PRO 4 HD2 PRO 4 1.338 0.593 -4.254 22 HD3 PRO 4 HD3 PRO 4 1.810 1.020 -2.596 23 H VAL 5 H VAL 5 6.361 -1.311 -4.298 24 HA VAL 5 HA VAL 5 6.632 -0.807 -7.139 25 HB VAL 5 HB VAL 5 8.419 -2.543 -7.029 26 HG11 VAL 5 HG11 VAL 5 9.711 -0.776 -6.668 27 HG12 VAL 5 HG12 VAL 5 8.382 0.058 -5.860 28 HG13 VAL 5 HG13 VAL 5 9.474 -0.971 -4.932 29 HG21 VAL 5 HG21 VAL 5 8.900 -3.754 -5.167 30 HG22 VAL 5 HG22 VAL 5 8.350 -2.491 -4.066 31 HG23 VAL 5 HG23 VAL 5 7.175 -3.523 -4.883 32 H TYR 6 H TYR 6 6.348 -2.365 -8.773 33 HA TYR 6 HA TYR 6 4.111 -4.110 -8.341 34 HB2 TYR 6 HB2 TYR 6 5.827 -3.914 -10.818 35 HB3 TYR 6 HB3 TYR 6 4.173 -4.506 -10.706 36 HD1 TYR 6 HD1 TYR 6 2.363 -2.827 -10.013 37 HD2 TYR 6 HD2 TYR 6 6.250 -1.664 -11.294 38 HE1 TYR 6 HE1 TYR 6 1.518 -0.571 -10.509 39 HE2 TYR 6 HE2 TYR 6 5.416 0.595 -11.793 40 HH TYR 6 HH TYR 6 2.087 1.531 -11.050 41 H THR 7 H THR 7 4.620 -5.821 -7.061 42 HA THR 7 HA THR 7 6.634 -7.689 -8.122 43 HB THR 7 HB THR 7 6.800 -8.371 -5.570 44 HG1 THR 7 HG1 THR 7 6.507 -5.583 -5.252 45 HG21 THR 7 HG21 THR 7 8.899 -7.608 -5.760 46 HG22 THR 7 HG22 THR 7 8.363 -5.939 -5.951 47 HG23 THR 7 HG23 THR 7 8.412 -7.014 -7.347 48 H CYS 8 H CYS 8 3.895 -7.424 -5.853 49 HA CYS 8 HA CYS 8 3.270 -10.187 -5.910 50 HB2 CYS 8 HB2 CYS 8 1.777 -7.731 -5.023 51 HB3 CYS 8 HB3 CYS 8 1.009 -9.315 -5.007 52 H ARG 9 H ARG 9 1.026 -10.947 -6.609 53 HA ARG 9 HA ARG 9 0.831 -10.737 -9.406 54 HB2 ARG 9 HB2 ARG 9 -1.380 -11.929 -9.067 55 HB3 ARG 9 HB3 ARG 9 0.036 -12.730 -8.399 56 HG2 ARG 9 HG2 ARG 9 -1.159 -10.977 -6.452 57 HG3 ARG 9 HG3 ARG 9 -2.341 -12.125 -7.085 58 HD2 ARG 9 HD2 ARG 9 0.352 -12.798 -5.904 59 HD3 ARG 9 HD3 ARG 9 -1.214 -13.035 -5.130 60 HE ARG 9 HE ARG 9 0.015 -14.727 -7.079 61 HH11 ARG 9 HH11 ARG 9 -3.038 -13.628 -5.819 62 HH12 ARG 9 HH12 ARG 9 -3.901 -15.047 -6.312 63 HH21 ARG 9 HH21 ARG 9 -1.109 -16.600 -7.734 64 HH22 ARG 9 HH22 ARG 9 -2.802 -16.738 -7.401 65 HA PRO 10 HA PRO 10 -1.691 -7.218 -10.126 66 HB2 PRO 10 HB2 PRO 10 -3.173 -8.038 -12.247 67 HB3 PRO 10 HB3 PRO 10 -1.453 -7.649 -12.370 68 HG2 PRO 10 HG2 PRO 10 -2.778 -10.323 -12.131 69 HG3 PRO 10 HG3 PRO 10 -1.434 -9.829 -13.178 70 HD2 PRO 10 HD2 PRO 10 -1.057 -11.198 -10.872 71 HD3 PRO 10 HD3 PRO 10 0.120 -10.019 -11.486 72 H GLY 11 H GLY 11 -3.805 -6.362 -9.925 73 HA2 GLY 11 HA2 GLY 11 -6.097 -6.427 -9.460 74 HA3 GLY 11 HA3 GLY 11 -5.997 -8.176 -9.323 75 H GLN 12 H GLN 12 -4.100 -8.548 -7.415 76 HA GLN 12 HA GLN 12 -5.533 -8.065 -5.036 77 HB2 GLN 12 HB2 GLN 12 -2.946 -9.294 -5.766 78 HB3 GLN 12 HB3 GLN 12 -3.066 -8.697 -4.117 79 HG2 GLN 12 HG2 GLN 12 -3.663 -11.037 -4.228 80 HG3 GLN 12 HG3 GLN 12 -5.056 -10.062 -3.761 81 HE21 GLN 12 HE21 GLN 12 -6.661 -9.619 -5.372 82 HE22 GLN 12 HE22 GLN 12 -6.906 -10.725 -6.676 83 H THR 13 H THR 13 -5.502 -6.429 -3.630 84 HA THR 13 HA THR 13 -3.859 -4.115 -4.223 85 HB THR 13 HB THR 13 -6.232 -3.796 -3.665 86 HG1 THR 13 HG1 THR 13 -4.434 -2.275 -3.008 87 HG21 THR 13 HG21 THR 13 -5.434 -4.893 -0.967 88 HG22 THR 13 HG22 THR 13 -6.565 -5.619 -2.109 89 HG23 THR 13 HG23 THR 13 -6.967 -4.096 -1.317 90 H CYS 14 H CYS 14 -2.342 -3.193 -2.865 91 HA CYS 14 HA CYS 14 -0.978 -5.020 -1.110 92 HB2 CYS 14 HB2 CYS 14 0.367 -3.594 -2.505 93 HB3 CYS 14 HB3 CYS 14 -0.432 -2.152 -1.887 94 H CYS 15 H CYS 15 -1.040 -5.102 1.052 95 HA CYS 15 HA CYS 15 -2.511 -2.976 2.468 96 HB2 CYS 15 HB2 CYS 15 -3.127 -4.822 4.112 97 HB3 CYS 15 HB3 CYS 15 -3.917 -4.880 2.540 98 H ARG 16 H ARG 16 -1.850 -2.527 4.634 99 HA ARG 16 HA ARG 16 0.977 -3.188 5.110 100 HB2 ARG 16 HB2 ARG 16 -0.047 -0.732 4.862 101 HB3 ARG 16 HB3 ARG 16 -0.343 -0.966 6.579 102 HG2 ARG 16 HG2 ARG 16 2.365 -1.617 5.582 103 HG3 ARG 16 HG3 ARG 16 1.906 0.087 5.632 104 HD2 ARG 16 HD2 ARG 16 1.098 -0.500 8.043 105 HD3 ARG 16 HD3 ARG 16 2.192 -1.872 7.869 106 HE ARG 16 HE ARG 16 3.456 0.584 7.174 107 HH11 ARG 16 HH11 ARG 16 2.468 -1.385 9.870 108 HH12 ARG 16 HH12 ARG 16 3.676 -0.756 10.940 109 HH21 ARG 16 HH21 ARG 16 5.051 1.420 8.574 110 HH22 ARG 16 HH22 ARG 16 5.145 0.840 10.203 111 H GLY 17 H GLY 17 -0.969 -5.061 5.839 112 HA2 GLY 17 HA2 GLY 17 -1.772 -4.799 8.555 113 HA3 GLY 17 HA3 GLY 17 -1.743 -6.289 7.624 114 H LEU 18 H LEU 18 0.277 -7.456 7.475 115 HA LEU 18 HA LEU 18 1.515 -7.892 9.901 116 HB2 LEU 18 HB2 LEU 18 2.535 -8.396 7.112 117 HB3 LEU 18 HB3 LEU 18 3.315 -9.012 8.568 118 HG LEU 18 HG LEU 18 0.489 -9.688 7.764 119 HD11 LEU 18 HD11 LEU 18 3.075 -10.785 6.892 120 HD12 LEU 18 HD12 LEU 18 1.491 -10.849 6.119 121 HD13 LEU 18 HD13 LEU 18 1.883 -11.973 7.420 122 HD21 LEU 18 HD21 LEU 18 2.379 -10.732 9.862 123 HD22 LEU 18 HD22 LEU 18 0.924 -11.591 9.356 124 HD23 LEU 18 HD23 LEU 18 0.793 -9.995 10.096 125 H HIS 19 H HIS 19 3.861 -7.623 10.417 126 HA HIS 19 HA HIS 19 4.563 -4.976 10.707 127 HB2 HIS 19 HB2 HIS 19 6.307 -7.441 10.645 128 HB3 HIS 19 HB3 HIS 19 6.907 -5.849 11.101 129 HD1 HIS 19 HD1 HIS 19 5.838 -4.800 13.305 130 HD2 HIS 19 HD2 HIS 19 5.019 -8.818 12.635 131 HE1 HIS 19 HE1 HIS 19 5.007 -5.693 15.504 132 H GLY 20 H GLY 20 5.288 -7.165 8.054 133 HA2 GLY 20 HA2 GLY 20 6.769 -5.003 6.706 134 HA3 GLY 20 HA3 GLY 20 6.893 -6.711 6.312 135 H TYR 21 H TYR 21 6.220 -4.291 4.678 136 HA TYR 21 HA TYR 21 3.559 -4.141 3.970 137 HB2 TYR 21 HB2 TYR 21 6.102 -3.743 2.432 138 HB3 TYR 21 HB3 TYR 21 4.553 -3.643 1.602 139 HD1 TYR 21 HD1 TYR 21 6.993 -1.803 3.308 140 HD2 TYR 21 HD2 TYR 21 2.777 -2.079 2.811 141 HE1 TYR 21 HE1 TYR 21 6.760 0.533 4.042 142 HE2 TYR 21 HE2 TYR 21 2.532 0.256 3.543 143 HH TYR 21 HH TYR 21 3.862 2.290 3.685 144 H GLY 22 H GLY 22 2.147 -5.474 3.040 145 HA2 GLY 22 HA2 GLY 22 3.165 -7.695 1.399 146 HA3 GLY 22 HA3 GLY 22 2.060 -8.033 2.724 147 H CYS 23 H CYS 23 1.209 -8.923 0.415 148 HA CYS 23 HA CYS 23 -0.734 -6.917 -0.528 149 HB2 CYS 23 HB2 CYS 23 -0.792 -8.301 -2.650 150 HB3 CYS 23 HB3 CYS 23 0.698 -7.409 -2.362 151 H CYS 24 H CYS 24 -2.781 -7.344 -0.065 152 HA CYS 24 HA CYS 24 -3.742 -10.089 -0.026 153 HB2 CYS 24 HB2 CYS 24 -4.721 -9.933 2.184 154 HB3 CYS 24 HB3 CYS 24 -2.990 -9.632 2.297 Start of MODEL 13 1 H1 CYS 1 H CYS 1 -2.606 3.043 -0.307 2 HA CYS 1 HA CYS 1 -0.747 1.883 0.886 3 HB2 CYS 1 HB2 CYS 1 -1.613 -0.161 -1.102 4 HB3 CYS 1 HB3 CYS 1 0.099 -0.082 -0.700 5 HA PRO 2 HA PRO 2 2.007 4.095 -1.713 6 HB2 PRO 2 HB2 PRO 2 4.379 2.862 -1.242 7 HB3 PRO 2 HB3 PRO 2 3.583 3.900 -0.053 8 HG2 PRO 2 HG2 PRO 2 3.606 0.912 -0.246 9 HG3 PRO 2 HG3 PRO 2 3.783 1.942 1.187 10 HD2 PRO 2 HD2 PRO 2 1.451 0.723 0.548 11 HD3 PRO 2 HD3 PRO 2 1.513 2.296 1.367 12 H ASP 3 H ASP 3 4.105 3.509 -3.196 13 HA ASP 3 HA ASP 3 3.184 1.414 -5.054 14 HB2 ASP 3 HB2 ASP 3 4.431 4.104 -5.615 15 HB3 ASP 3 HB3 ASP 3 4.336 2.830 -6.828 16 HA PRO 4 HA PRO 4 7.465 0.367 -3.525 17 HB2 PRO 4 HB2 PRO 4 6.887 -2.214 -2.913 18 HB3 PRO 4 HB3 PRO 4 6.653 -0.882 -1.775 19 HG2 PRO 4 HG2 PRO 4 4.645 -2.259 -3.517 20 HG3 PRO 4 HG3 PRO 4 4.499 -1.756 -1.823 21 HD2 PRO 4 HD2 PRO 4 3.439 -0.326 -3.863 22 HD3 PRO 4 HD3 PRO 4 4.050 0.435 -2.380 23 H VAL 5 H VAL 5 8.547 -1.959 -4.132 24 HA VAL 5 HA VAL 5 8.961 -1.906 -6.885 25 HB VAL 5 HB VAL 5 10.522 -2.922 -5.241 26 HG11 VAL 5 HG11 VAL 5 9.024 -5.483 -5.347 27 HG12 VAL 5 HG12 VAL 5 10.114 -4.858 -4.108 28 HG13 VAL 5 HG13 VAL 5 8.463 -4.246 -4.224 29 HG21 VAL 5 HG21 VAL 5 11.349 -4.616 -6.704 30 HG22 VAL 5 HG22 VAL 5 9.753 -4.867 -7.411 31 HG23 VAL 5 HG23 VAL 5 10.622 -3.360 -7.706 32 H TYR 6 H TYR 6 8.351 -3.310 -8.565 33 HA TYR 6 HA TYR 6 5.628 -4.214 -8.400 34 HB2 TYR 6 HB2 TYR 6 7.666 -3.922 -10.549 35 HB3 TYR 6 HB3 TYR 6 6.358 -5.068 -10.823 36 HD1 TYR 6 HD1 TYR 6 7.322 -1.882 -11.549 37 HD2 TYR 6 HD2 TYR 6 3.971 -3.955 -9.943 38 HE1 TYR 6 HE1 TYR 6 5.854 -0.032 -12.238 39 HE2 TYR 6 HE2 TYR 6 2.495 -2.112 -10.629 40 HH TYR 6 HH TYR 6 3.766 0.712 -12.368 41 H THR 7 H THR 7 5.414 -5.987 -7.124 42 HA THR 7 HA THR 7 6.796 -8.422 -8.031 43 HB THR 7 HB THR 7 6.596 -9.146 -5.542 44 HG1 THR 7 HG1 THR 7 5.477 -7.385 -4.726 45 HG21 THR 7 HG21 THR 7 8.623 -7.456 -6.879 46 HG22 THR 7 HG22 THR 7 8.779 -9.057 -6.156 47 HG23 THR 7 HG23 THR 7 8.771 -7.622 -5.131 48 H CYS 8 H CYS 8 4.077 -7.185 -6.093 49 HA CYS 8 HA CYS 8 2.591 -9.613 -6.254 50 HB2 CYS 8 HB2 CYS 8 1.683 -6.814 -5.549 51 HB3 CYS 8 HB3 CYS 8 0.743 -8.282 -5.299 52 H ARG 9 H ARG 9 0.084 -9.082 -6.967 53 HA ARG 9 HA ARG 9 0.280 -8.224 -9.780 54 HB2 ARG 9 HB2 ARG 9 -1.701 -9.855 -10.078 55 HB3 ARG 9 HB3 ARG 9 -0.082 -10.524 -9.923 56 HG2 ARG 9 HG2 ARG 9 -1.691 -10.200 -7.451 57 HG3 ARG 9 HG3 ARG 9 -2.133 -11.490 -8.572 58 HD2 ARG 9 HD2 ARG 9 0.477 -11.940 -8.498 59 HD3 ARG 9 HD3 ARG 9 0.322 -11.145 -6.931 60 HE ARG 9 HE ARG 9 -0.784 -12.992 -6.134 61 HH11 ARG 9 HH11 ARG 9 -0.580 -13.168 -9.605 62 HH12 ARG 9 HH12 ARG 9 -1.159 -14.799 -9.687 63 HH21 ARG 9 HH21 ARG 9 -1.547 -15.139 -6.228 64 HH22 ARG 9 HH22 ARG 9 -1.710 -15.919 -7.765 65 HA PRO 10 HA PRO 10 -2.970 -5.351 -9.121 66 HB2 PRO 10 HB2 PRO 10 -4.322 -5.488 -11.471 67 HB3 PRO 10 HB3 PRO 10 -2.729 -4.737 -11.322 68 HG2 PRO 10 HG2 PRO 10 -3.449 -7.473 -12.300 69 HG3 PRO 10 HG3 PRO 10 -2.280 -6.318 -12.966 70 HD2 PRO 10 HD2 PRO 10 -1.538 -8.420 -11.429 71 HD3 PRO 10 HD3 PRO 10 -0.660 -6.877 -11.425 72 H GLY 11 H GLY 11 -5.343 -5.080 -9.055 73 HA2 GLY 11 HA2 GLY 11 -7.530 -5.883 -8.850 74 HA3 GLY 11 HA3 GLY 11 -6.937 -7.510 -9.152 75 H GLN 12 H GLN 12 -5.077 -7.893 -7.229 76 HA GLN 12 HA GLN 12 -6.649 -8.447 -4.954 77 HB2 GLN 12 HB2 GLN 12 -4.515 -9.625 -5.763 78 HB3 GLN 12 HB3 GLN 12 -3.641 -8.335 -4.946 79 HG2 GLN 12 HG2 GLN 12 -3.788 -10.275 -3.524 80 HG3 GLN 12 HG3 GLN 12 -4.722 -8.947 -2.837 81 HE21 GLN 12 HE21 GLN 12 -5.004 -11.891 -4.760 82 HE22 GLN 12 HE22 GLN 12 -6.604 -12.289 -4.245 83 H THR 13 H THR 13 -6.701 -7.528 -2.916 84 HA THR 13 HA THR 13 -6.109 -4.694 -2.838 85 HB THR 13 HB THR 13 -8.255 -5.544 -1.954 86 HG1 THR 13 HG1 THR 13 -6.995 -3.637 -1.059 87 HG21 THR 13 HG21 THR 13 -6.928 -6.553 0.503 88 HG22 THR 13 HG22 THR 13 -6.918 -7.602 -0.915 89 HG23 THR 13 HG23 THR 13 -8.449 -7.041 -0.243 90 H CYS 14 H CYS 14 -4.718 -3.669 -1.422 91 HA CYS 14 HA CYS 14 -2.456 -5.226 -0.560 92 HB2 CYS 14 HB2 CYS 14 -2.022 -3.063 -1.518 93 HB3 CYS 14 HB3 CYS 14 -3.096 -2.280 -0.364 94 H CYS 15 H CYS 15 -1.814 -5.688 1.500 95 HA CYS 15 HA CYS 15 -3.731 -5.036 3.642 96 HB2 CYS 15 HB2 CYS 15 -2.907 -7.165 4.725 97 HB3 CYS 15 HB3 CYS 15 -3.842 -7.387 3.250 98 H ARG 16 H ARG 16 -2.969 -4.233 5.540 99 HA ARG 16 HA ARG 16 -0.082 -3.667 5.649 100 HB2 ARG 16 HB2 ARG 16 -2.000 -1.824 5.623 101 HB3 ARG 16 HB3 ARG 16 -2.024 -2.174 7.346 102 HG2 ARG 16 HG2 ARG 16 0.568 -1.836 7.130 103 HG3 ARG 16 HG3 ARG 16 0.107 -0.923 5.692 104 HD2 ARG 16 HD2 ARG 16 0.192 0.655 7.436 105 HD3 ARG 16 HD3 ARG 16 -1.522 0.324 7.183 106 HE ARG 16 HE ARG 16 -0.848 -1.410 9.141 107 HH11 ARG 16 HH11 ARG 16 -0.410 2.020 8.739 108 HH12 ARG 16 HH12 ARG 16 -0.477 2.360 10.437 109 HH21 ARG 16 HH21 ARG 16 -0.939 -0.976 11.379 110 HH22 ARG 16 HH22 ARG 16 -0.777 0.655 11.937 111 H GLY 17 H GLY 17 -0.530 -6.120 6.474 112 HA2 GLY 17 HA2 GLY 17 -1.124 -6.172 9.322 113 HA3 GLY 17 HA3 GLY 17 -0.767 -7.560 8.305 114 H LEU 18 H LEU 18 1.489 -7.873 7.654 115 HA LEU 18 HA LEU 18 3.236 -7.938 9.786 116 HB2 LEU 18 HB2 LEU 18 5.036 -8.130 7.984 117 HB3 LEU 18 HB3 LEU 18 3.751 -9.337 8.004 118 HG LEU 18 HG LEU 18 3.131 -7.100 6.256 119 HD11 LEU 18 HD11 LEU 18 4.798 -7.309 4.647 120 HD12 LEU 18 HD12 LEU 18 5.424 -8.801 5.347 121 HD13 LEU 18 HD13 LEU 18 5.692 -7.263 6.166 122 HD21 LEU 18 HD21 LEU 18 1.880 -9.131 6.163 123 HD22 LEU 18 HD22 LEU 18 3.344 -10.089 5.937 124 HD23 LEU 18 HD23 LEU 18 2.798 -8.997 4.663 125 H HIS 19 H HIS 19 5.386 -6.840 9.951 126 HA HIS 19 HA HIS 19 5.146 -4.152 10.466 127 HB2 HIS 19 HB2 HIS 19 7.425 -6.003 10.075 128 HB3 HIS 19 HB3 HIS 19 7.794 -4.286 9.948 129 HD1 HIS 19 HD1 HIS 19 7.997 -6.781 12.339 130 HD2 HIS 19 HD2 HIS 19 6.346 -2.968 12.397 131 HE1 HIS 19 HE1 HIS 19 7.873 -6.138 14.768 132 H GLY 20 H GLY 20 6.000 -5.724 7.445 133 HA2 GLY 20 HA2 GLY 20 6.429 -3.112 6.175 134 HA3 GLY 20 HA3 GLY 20 6.840 -4.673 5.481 135 H TYR 21 H TYR 21 5.697 -3.385 3.668 136 HA TYR 21 HA TYR 21 2.795 -3.495 3.837 137 HB2 TYR 21 HB2 TYR 21 4.741 -2.414 1.817 138 HB3 TYR 21 HB3 TYR 21 3.042 -2.627 1.407 139 HD1 TYR 21 HD1 TYR 21 1.306 -1.342 2.643 140 HD2 TYR 21 HD2 TYR 21 5.461 -0.608 3.191 141 HE1 TYR 21 HE1 TYR 21 0.781 0.833 3.666 142 HE2 TYR 21 HE2 TYR 21 4.948 1.568 4.216 143 HH TYR 21 HH TYR 21 2.966 2.607 5.435 144 H GLY 22 H GLY 22 1.569 -5.079 3.032 145 HA2 GLY 22 HA2 GLY 22 2.832 -6.999 1.176 146 HA3 GLY 22 HA3 GLY 22 1.858 -7.538 2.536 147 H CYS 23 H CYS 23 1.187 -8.412 0.072 148 HA CYS 23 HA CYS 23 -1.195 -6.813 -0.609 149 HB2 CYS 23 HB2 CYS 23 -1.036 -7.948 -2.865 150 HB3 CYS 23 HB3 CYS 23 0.243 -6.792 -2.507 151 H CYS 24 H CYS 24 -2.997 -7.723 0.100 152 HA CYS 24 HA CYS 24 -3.268 -10.646 -0.080 153 HB2 CYS 24 HB2 CYS 24 -4.367 -9.013 2.210 154 HB3 CYS 24 HB3 CYS 24 -4.325 -10.767 2.064 Start of MODEL 14 1 H1 CYS 1 H CYS 1 -1.714 -0.839 -2.605 2 HA CYS 1 HA CYS 1 -0.368 0.042 -0.982 3 HB2 CYS 1 HB2 CYS 1 1.499 -1.699 -2.455 4 HB3 CYS 1 HB3 CYS 1 2.259 -0.362 -1.598 5 HA PRO 2 HA PRO 2 0.777 3.980 -2.540 6 HB2 PRO 2 HB2 PRO 2 2.635 4.806 -0.741 7 HB3 PRO 2 HB3 PRO 2 0.912 4.698 -0.362 8 HG2 PRO 2 HG2 PRO 2 3.115 2.775 0.275 9 HG3 PRO 2 HG3 PRO 2 1.780 3.326 1.303 10 HD2 PRO 2 HD2 PRO 2 1.747 0.937 0.029 11 HD3 PRO 2 HD3 PRO 2 0.272 1.874 0.338 12 H ASP 3 H ASP 3 3.455 1.801 -1.799 13 HA ASP 3 HA ASP 3 5.559 3.127 -2.996 14 HB2 ASP 3 HB2 ASP 3 4.914 0.260 -2.511 15 HB3 ASP 3 HB3 ASP 3 6.249 0.623 -3.601 16 HA PRO 4 HA PRO 4 4.926 3.161 -7.335 17 HB2 PRO 4 HB2 PRO 4 7.404 2.609 -8.297 18 HB3 PRO 4 HB3 PRO 4 6.991 4.149 -7.535 19 HG2 PRO 4 HG2 PRO 4 8.386 1.772 -6.366 20 HG3 PRO 4 HG3 PRO 4 8.769 3.495 -6.187 21 HD2 PRO 4 HD2 PRO 4 7.447 2.091 -4.286 22 HD3 PRO 4 HD3 PRO 4 7.150 3.816 -4.579 23 H VAL 5 H VAL 5 6.993 0.407 -6.397 24 HA VAL 5 HA VAL 5 5.731 -1.208 -8.494 25 HB VAL 5 HB VAL 5 8.124 -1.923 -6.798 26 HG11 VAL 5 HG11 VAL 5 6.645 -3.236 -8.997 27 HG12 VAL 5 HG12 VAL 5 8.406 -3.343 -9.047 28 HG13 VAL 5 HG13 VAL 5 7.524 -3.940 -7.641 29 HG21 VAL 5 HG21 VAL 5 9.261 -0.418 -7.982 30 HG22 VAL 5 HG22 VAL 5 8.985 -1.438 -9.394 31 HG23 VAL 5 HG23 VAL 5 7.884 -0.107 -9.039 32 H TYR 6 H TYR 6 4.820 -3.234 -8.052 33 HA TYR 6 HA TYR 6 3.999 -3.595 -5.248 34 HB2 TYR 6 HB2 TYR 6 2.585 -4.713 -7.667 35 HB3 TYR 6 HB3 TYR 6 1.972 -4.579 -6.022 36 HD1 TYR 6 HD1 TYR 6 1.666 -2.196 -5.082 37 HD2 TYR 6 HD2 TYR 6 2.127 -3.042 -9.227 38 HE1 TYR 6 HE1 TYR 6 0.656 -0.022 -5.632 39 HE2 TYR 6 HE2 TYR 6 1.119 -0.870 -9.788 40 HH TYR 6 HH TYR 6 0.370 1.503 -7.315 41 H THR 7 H THR 7 5.395 -5.016 -4.381 42 HA THR 7 HA THR 7 6.812 -7.024 -5.639 43 HB THR 7 HB THR 7 6.682 -8.170 -3.286 44 HG1 THR 7 HG1 THR 7 4.822 -6.851 -2.672 45 HG21 THR 7 HG21 THR 7 8.164 -6.187 -2.405 46 HG22 THR 7 HG22 THR 7 7.994 -5.602 -4.060 47 HG23 THR 7 HG23 THR 7 8.711 -7.184 -3.753 48 H CYS 8 H CYS 8 3.537 -7.095 -4.352 49 HA CYS 8 HA CYS 8 3.223 -9.925 -4.816 50 HB2 CYS 8 HB2 CYS 8 1.536 -7.726 -3.732 51 HB3 CYS 8 HB3 CYS 8 0.704 -9.122 -4.409 52 H ARG 9 H ARG 9 0.983 -10.449 -5.999 53 HA ARG 9 HA ARG 9 1.431 -9.707 -8.744 54 HB2 ARG 9 HB2 ARG 9 -0.221 -11.692 -7.294 55 HB3 ARG 9 HB3 ARG 9 -0.844 -11.151 -8.847 56 HG2 ARG 9 HG2 ARG 9 0.955 -12.023 -10.019 57 HG3 ARG 9 HG3 ARG 9 1.985 -12.080 -8.587 58 HD2 ARG 9 HD2 ARG 9 1.405 -14.201 -8.285 59 HD3 ARG 9 HD3 ARG 9 -0.265 -13.690 -8.044 60 HE ARG 9 HE ARG 9 0.848 -14.932 -10.385 61 HH11 ARG 9 HH11 ARG 9 -1.702 -12.906 -9.154 62 HH12 ARG 9 HH12 ARG 9 -2.797 -13.277 -10.445 63 HH21 ARG 9 HH21 ARG 9 -0.585 -15.428 -12.090 64 HH22 ARG 9 HH22 ARG 9 -2.160 -14.712 -12.113 65 HA PRO 10 HA PRO 10 -1.560 -6.539 -9.254 66 HB2 PRO 10 HB2 PRO 10 -2.636 -7.129 -11.676 67 HB3 PRO 10 HB3 PRO 10 -0.998 -6.495 -11.482 68 HG2 PRO 10 HG2 PRO 10 -1.898 -9.319 -11.899 69 HG3 PRO 10 HG3 PRO 10 -0.538 -8.457 -12.641 70 HD2 PRO 10 HD2 PRO 10 -0.219 -10.179 -10.576 71 HD3 PRO 10 HD3 PRO 10 0.818 -8.757 -10.802 72 H GLY 11 H GLY 11 -3.840 -6.043 -9.404 73 HA2 GLY 11 HA2 GLY 11 -6.122 -6.549 -9.311 74 HA3 GLY 11 HA3 GLY 11 -5.719 -8.259 -9.305 75 H GLN 12 H GLN 12 -4.088 -8.528 -7.160 76 HA GLN 12 HA GLN 12 -5.910 -8.526 -5.005 77 HB2 GLN 12 HB2 GLN 12 -3.072 -9.266 -5.409 78 HB3 GLN 12 HB3 GLN 12 -3.551 -8.907 -3.755 79 HG2 GLN 12 HG2 GLN 12 -4.808 -10.960 -5.562 80 HG3 GLN 12 HG3 GLN 12 -3.716 -11.280 -4.216 81 HE21 GLN 12 HE21 GLN 12 -4.451 -10.593 -2.074 82 HE22 GLN 12 HE22 GLN 12 -6.138 -10.677 -1.711 83 H THR 13 H THR 13 -6.036 -7.276 -3.164 84 HA THR 13 HA THR 13 -5.029 -4.569 -3.439 85 HB THR 13 HB THR 13 -7.380 -4.995 -2.744 86 HG1 THR 13 HG1 THR 13 -5.874 -3.139 -1.989 87 HG21 THR 13 HG21 THR 13 -6.154 -5.913 -0.141 88 HG22 THR 13 HG22 THR 13 -6.899 -6.981 -1.331 89 HG23 THR 13 HG23 THR 13 -7.872 -5.763 -0.507 90 H CYS 14 H CYS 14 -3.496 -3.619 -2.204 91 HA CYS 14 HA CYS 14 -1.821 -5.341 -0.597 92 HB2 CYS 14 HB2 CYS 14 -1.084 -3.457 -2.241 93 HB3 CYS 14 HB3 CYS 14 -1.412 -2.381 -0.886 94 H CYS 15 H CYS 15 -1.735 -5.436 1.563 95 HA CYS 15 HA CYS 15 -3.216 -3.408 3.103 96 HB2 CYS 15 HB2 CYS 15 -3.745 -5.313 4.713 97 HB3 CYS 15 HB3 CYS 15 -4.609 -5.321 3.179 98 H ARG 16 H ARG 16 -2.486 -3.093 5.293 99 HA ARG 16 HA ARG 16 0.367 -3.746 5.615 100 HB2 ARG 16 HB2 ARG 16 -0.634 -1.277 5.452 101 HB3 ARG 16 HB3 ARG 16 -0.878 -1.540 7.174 102 HG2 ARG 16 HG2 ARG 16 1.674 -2.353 6.938 103 HG3 ARG 16 HG3 ARG 16 1.607 -1.149 5.650 104 HD2 ARG 16 HD2 ARG 16 0.290 -0.046 7.890 105 HD3 ARG 16 HD3 ARG 16 1.793 -0.759 8.474 106 HE ARG 16 HE ARG 16 2.947 0.895 7.400 107 HH11 ARG 16 HH11 ARG 16 -0.289 0.762 6.123 108 HH12 ARG 16 HH12 ARG 16 -0.110 2.193 5.164 109 HH21 ARG 16 HH21 ARG 16 3.196 2.781 6.141 110 HH22 ARG 16 HH22 ARG 16 1.873 3.340 5.174 111 H GLY 17 H GLY 17 -1.200 -5.748 6.392 112 HA2 GLY 17 HA2 GLY 17 -2.030 -5.500 9.142 113 HA3 GLY 17 HA3 GLY 17 -2.022 -6.972 8.181 114 H LEU 18 H LEU 18 0.788 -6.723 7.444 115 HA LEU 18 HA LEU 18 1.956 -7.529 10.021 116 HB2 LEU 18 HB2 LEU 18 3.679 -8.623 8.413 117 HB3 LEU 18 HB3 LEU 18 2.119 -9.394 8.695 118 HG LEU 18 HG LEU 18 2.271 -7.570 6.375 119 HD11 LEU 18 HD11 LEU 18 3.611 -8.837 5.028 120 HD12 LEU 18 HD12 LEU 18 3.367 -10.305 5.974 121 HD13 LEU 18 HD13 LEU 18 4.444 -9.042 6.569 122 HD21 LEU 18 HD21 LEU 18 0.591 -9.606 7.366 123 HD22 LEU 18 HD22 LEU 18 1.280 -10.198 5.855 124 HD23 LEU 18 HD23 LEU 18 0.406 -8.665 5.886 125 H HIS 19 H HIS 19 4.348 -7.178 10.194 126 HA HIS 19 HA HIS 19 5.017 -4.521 10.170 127 HB2 HIS 19 HB2 HIS 19 6.655 -7.025 10.170 128 HB3 HIS 19 HB3 HIS 19 7.468 -5.469 10.033 129 HD1 HIS 19 HD1 HIS 19 7.323 -3.874 12.094 130 HD2 HIS 19 HD2 HIS 19 5.643 -7.627 12.685 131 HE1 HIS 19 HE1 HIS 19 7.000 -4.082 14.579 132 H GLY 20 H GLY 20 5.352 -6.857 7.571 133 HA2 GLY 20 HA2 GLY 20 6.505 -4.744 5.865 134 HA3 GLY 20 HA3 GLY 20 6.678 -6.469 5.578 135 H TYR 21 H TYR 21 5.507 -4.080 4.042 136 HA TYR 21 HA TYR 21 2.774 -4.289 3.737 137 HB2 TYR 21 HB2 TYR 21 4.848 -3.749 1.603 138 HB3 TYR 21 HB3 TYR 21 3.125 -3.436 1.433 139 HD1 TYR 21 HD1 TYR 21 2.047 -1.700 2.879 140 HD2 TYR 21 HD2 TYR 21 6.267 -2.219 2.729 141 HE1 TYR 21 HE1 TYR 21 2.351 0.536 3.858 142 HE2 TYR 21 HE2 TYR 21 6.583 0.014 3.709 143 HH TYR 21 HH TYR 21 5.584 1.910 4.331 144 H GLY 22 H GLY 22 1.421 -5.775 2.952 145 HA2 GLY 22 HA2 GLY 22 2.480 -7.847 1.152 146 HA3 GLY 22 HA3 GLY 22 1.628 -8.330 2.611 147 H CYS 23 H CYS 23 0.582 -9.320 0.427 148 HA CYS 23 HA CYS 23 -1.679 -7.559 -0.262 149 HB2 CYS 23 HB2 CYS 23 -1.919 -9.009 -2.296 150 HB3 CYS 23 HB3 CYS 23 -0.425 -8.078 -2.242 151 H CYS 24 H CYS 24 -3.661 -8.166 0.328 152 HA CYS 24 HA CYS 24 -4.218 -10.983 0.873 153 HB2 CYS 24 HB2 CYS 24 -5.268 -10.457 3.030 154 HB3 CYS 24 HB3 CYS 24 -3.556 -10.048 3.038 Start of MODEL 15 1 H1 CYS 1 H CYS 1 1.817 -4.449 -0.575 2 HA CYS 1 HA CYS 1 2.942 -2.955 -1.909 3 HB2 CYS 1 HB2 CYS 1 1.233 -0.941 -0.448 4 HB3 CYS 1 HB3 CYS 1 1.805 -0.861 -2.111 5 HA PRO 2 HA PRO 2 5.822 -1.544 1.482 6 HB2 PRO 2 HB2 PRO 2 7.998 -2.853 0.524 7 HB3 PRO 2 HB3 PRO 2 6.838 -3.599 1.630 8 HG2 PRO 2 HG2 PRO 2 7.052 -3.853 -1.345 9 HG3 PRO 2 HG3 PRO 2 6.748 -5.112 -0.133 10 HD2 PRO 2 HD2 PRO 2 4.770 -4.010 -1.618 11 HD3 PRO 2 HD3 PRO 2 4.513 -4.576 0.045 12 H ASP 3 H ASP 3 6.651 -2.047 -1.952 13 HA ASP 3 HA ASP 3 7.947 0.595 -1.947 14 HB2 ASP 3 HB2 ASP 3 8.496 -1.946 -3.400 15 HB3 ASP 3 HB3 ASP 3 8.835 -0.436 -4.240 16 HA PRO 4 HA PRO 4 5.023 2.273 -4.750 17 HB2 PRO 4 HB2 PRO 4 6.580 3.749 -6.413 18 HB3 PRO 4 HB3 PRO 4 6.260 4.209 -4.737 19 HG2 PRO 4 HG2 PRO 4 8.655 2.842 -5.901 20 HG3 PRO 4 HG3 PRO 4 8.584 4.147 -4.703 21 HD2 PRO 4 HD2 PRO 4 8.991 1.560 -4.016 22 HD3 PRO 4 HD3 PRO 4 8.123 2.701 -2.969 23 H VAL 5 H VAL 5 7.815 0.694 -6.224 24 HA VAL 5 HA VAL 5 6.810 0.501 -8.846 25 HB VAL 5 HB VAL 5 8.678 -1.462 -7.516 26 HG11 VAL 5 HG11 VAL 5 9.571 -1.683 -9.826 27 HG12 VAL 5 HG12 VAL 5 7.901 -2.231 -9.657 28 HG13 VAL 5 HG13 VAL 5 8.247 -0.665 -10.392 29 HG21 VAL 5 HG21 VAL 5 10.075 0.248 -7.217 30 HG22 VAL 5 HG22 VAL 5 10.202 0.340 -8.973 31 HG23 VAL 5 HG23 VAL 5 9.035 1.349 -8.120 32 H TYR 6 H TYR 6 5.841 -1.235 -9.945 33 HA TYR 6 HA TYR 6 3.840 -2.610 -8.454 34 HB2 TYR 6 HB2 TYR 6 4.689 -2.662 -11.341 35 HB3 TYR 6 HB3 TYR 6 3.449 -3.752 -10.730 36 HD1 TYR 6 HD1 TYR 6 1.245 -3.070 -10.840 37 HD2 TYR 6 HD2 TYR 6 4.301 -0.112 -10.739 38 HE1 TYR 6 HE1 TYR 6 -0.452 -1.316 -11.140 39 HE2 TYR 6 HE2 TYR 6 2.612 1.651 -11.038 40 HH TYR 6 HH TYR 6 -0.845 0.865 -11.265 41 H THR 7 H THR 7 4.601 -4.106 -7.051 42 HA THR 7 HA THR 7 6.361 -6.213 -8.119 43 HB THR 7 HB THR 7 7.453 -5.195 -6.275 44 HG1 THR 7 HG1 THR 7 6.259 -7.345 -4.920 45 HG21 THR 7 HG21 THR 7 4.889 -5.536 -4.713 46 HG22 THR 7 HG22 THR 7 5.524 -4.012 -5.334 47 HG23 THR 7 HG23 THR 7 6.405 -4.891 -4.085 48 H CYS 8 H CYS 8 3.450 -5.598 -6.216 49 HA CYS 8 HA CYS 8 2.841 -8.364 -5.816 50 HB2 CYS 8 HB2 CYS 8 1.174 -5.861 -5.509 51 HB3 CYS 8 HB3 CYS 8 0.607 -7.472 -5.082 52 H ARG 9 H ARG 9 0.310 -8.824 -6.449 53 HA ARG 9 HA ARG 9 0.261 -8.597 -9.385 54 HB2 ARG 9 HB2 ARG 9 -1.276 -10.651 -9.176 55 HB3 ARG 9 HB3 ARG 9 0.446 -10.878 -8.902 56 HG2 ARG 9 HG2 ARG 9 0.144 -10.980 -6.549 57 HG3 ARG 9 HG3 ARG 9 -1.534 -10.450 -6.682 58 HD2 ARG 9 HD2 ARG 9 -1.742 -12.739 -6.380 59 HD3 ARG 9 HD3 ARG 9 -1.841 -12.567 -8.132 60 HE ARG 9 HE ARG 9 0.834 -12.990 -7.442 61 HH11 ARG 9 HH11 ARG 9 -2.206 -14.685 -7.414 62 HH12 ARG 9 HH12 ARG 9 -1.485 -16.249 -7.602 63 HH21 ARG 9 HH21 ARG 9 1.796 -15.044 -7.689 64 HH22 ARG 9 HH22 ARG 9 0.792 -16.452 -7.757 65 HA PRO 10 HA PRO 10 -3.561 -6.445 -9.292 66 HB2 PRO 10 HB2 PRO 10 -4.828 -7.467 -11.465 67 HB3 PRO 10 HB3 PRO 10 -3.450 -6.367 -11.585 68 HG2 PRO 10 HG2 PRO 10 -3.518 -9.350 -11.821 69 HG3 PRO 10 HG3 PRO 10 -2.637 -8.170 -12.809 70 HD2 PRO 10 HD2 PRO 10 -1.448 -9.597 -10.839 71 HD3 PRO 10 HD3 PRO 10 -0.945 -7.947 -11.259 72 H GLY 11 H GLY 11 -5.864 -6.648 -8.986 73 HA2 GLY 11 HA2 GLY 11 -7.834 -7.796 -8.460 74 HA3 GLY 11 HA3 GLY 11 -6.948 -9.311 -8.543 75 H GLN 12 H GLN 12 -4.935 -8.964 -6.756 76 HA GLN 12 HA GLN 12 -6.230 -9.411 -4.292 77 HB2 GLN 12 HB2 GLN 12 -3.356 -9.005 -5.074 78 HB3 GLN 12 HB3 GLN 12 -3.821 -9.193 -3.388 79 HG2 GLN 12 HG2 GLN 12 -4.712 -11.203 -5.402 80 HG3 GLN 12 HG3 GLN 12 -3.065 -11.253 -4.775 81 HE21 GLN 12 HE21 GLN 12 -6.445 -11.557 -3.991 82 HE22 GLN 12 HE22 GLN 12 -6.227 -12.343 -2.468 83 H THR 13 H THR 13 -6.241 -8.192 -2.380 84 HA THR 13 HA THR 13 -6.133 -5.299 -2.837 85 HB THR 13 HB THR 13 -8.244 -6.288 -1.951 86 HG1 THR 13 HG1 THR 13 -7.325 -4.077 -1.418 87 HG21 THR 13 HG21 THR 13 -7.042 -8.002 -0.525 88 HG22 THR 13 HG22 THR 13 -8.384 -7.161 0.252 89 HG23 THR 13 HG23 THR 13 -6.722 -6.697 0.616 90 H CYS 14 H CYS 14 -4.980 -3.910 -1.519 91 HA CYS 14 HA CYS 14 -2.647 -5.041 -0.270 92 HB2 CYS 14 HB2 CYS 14 -2.878 -2.819 -1.631 93 HB3 CYS 14 HB3 CYS 14 -3.384 -2.139 -0.088 94 H CYS 15 H CYS 15 -2.328 -5.438 1.824 95 HA CYS 15 HA CYS 15 -4.272 -4.352 3.755 96 HB2 CYS 15 HB2 CYS 15 -3.779 -6.471 5.082 97 HB3 CYS 15 HB3 CYS 15 -4.740 -6.669 3.620 98 H ARG 16 H ARG 16 -3.450 -4.173 5.981 99 HA ARG 16 HA ARG 16 -0.600 -3.436 5.977 100 HB2 ARG 16 HB2 ARG 16 -2.801 -2.415 7.781 101 HB3 ARG 16 HB3 ARG 16 -1.132 -1.863 7.763 102 HG2 ARG 16 HG2 ARG 16 -2.508 -1.698 5.178 103 HG3 ARG 16 HG3 ARG 16 -3.168 -0.663 6.446 104 HD2 ARG 16 HD2 ARG 16 -0.293 -0.759 5.539 105 HD3 ARG 16 HD3 ARG 16 -1.460 0.508 5.162 106 HE ARG 16 HE ARG 16 0.018 0.192 7.595 107 HH11 ARG 16 HH11 ARG 16 -2.914 1.443 6.198 108 HH12 ARG 16 HH12 ARG 16 -3.153 2.630 7.437 109 HH21 ARG 16 HH21 ARG 16 -0.284 1.751 9.232 110 HH22 ARG 16 HH22 ARG 16 -1.656 2.805 9.162 111 H GLY 17 H GLY 17 -1.085 -6.082 6.345 112 HA2 GLY 17 HA2 GLY 17 -1.475 -6.828 9.063 113 HA3 GLY 17 HA3 GLY 17 -0.808 -7.846 7.796 114 H LEU 18 H LEU 18 1.439 -7.861 7.436 115 HA LEU 18 HA LEU 18 3.053 -7.832 9.670 116 HB2 LEU 18 HB2 LEU 18 4.959 -7.629 7.963 117 HB3 LEU 18 HB3 LEU 18 3.883 -9.022 7.864 118 HG LEU 18 HG LEU 18 3.016 -6.801 6.188 119 HD11 LEU 18 HD11 LEU 18 5.604 -6.685 6.223 120 HD12 LEU 18 HD12 LEU 18 4.758 -6.675 4.676 121 HD13 LEU 18 HD13 LEU 18 5.511 -8.160 5.259 122 HD21 LEU 18 HD21 LEU 18 3.716 -9.672 5.583 123 HD22 LEU 18 HD22 LEU 18 2.802 -8.573 4.549 124 HD23 LEU 18 HD23 LEU 18 2.130 -9.095 6.095 125 H HIS 19 H HIS 19 5.017 -6.464 10.037 126 HA HIS 19 HA HIS 19 4.376 -3.879 10.703 127 HB2 HIS 19 HB2 HIS 19 7.085 -5.030 10.009 128 HB3 HIS 19 HB3 HIS 19 6.849 -3.456 10.764 129 HD1 HIS 19 HD1 HIS 19 8.323 -6.011 12.022 130 HD2 HIS 19 HD2 HIS 19 4.506 -4.637 12.920 131 HE1 HIS 19 HE1 HIS 19 7.815 -6.890 14.323 132 H GLY 20 H GLY 20 5.589 -5.099 7.642 133 HA2 GLY 20 HA2 GLY 20 5.619 -2.358 6.568 134 HA3 GLY 20 HA3 GLY 20 6.418 -3.744 5.840 135 H TYR 21 H TYR 21 4.595 -1.864 4.594 136 HA TYR 21 HA TYR 21 1.997 -2.740 4.297 137 HB2 TYR 21 HB2 TYR 21 3.908 -1.292 2.522 138 HB3 TYR 21 HB3 TYR 21 2.403 -1.875 1.820 139 HD1 TYR 21 HD1 TYR 21 3.726 0.173 4.634 140 HD2 TYR 21 HD2 TYR 21 0.447 -0.623 2.043 141 HE1 TYR 21 HE1 TYR 21 2.559 2.151 5.515 142 HE2 TYR 21 HE2 TYR 21 -0.729 1.353 2.915 143 HH TYR 21 HH TYR 21 -0.759 2.864 4.643 144 H GLY 22 H GLY 22 1.030 -4.450 3.396 145 HA2 GLY 22 HA2 GLY 22 2.598 -6.130 1.548 146 HA3 GLY 22 HA3 GLY 22 1.764 -6.854 2.915 147 H CYS 23 H CYS 23 1.237 -7.733 0.380 148 HA CYS 23 HA CYS 23 -1.447 -6.632 -0.142 149 HB2 CYS 23 HB2 CYS 23 -1.109 -7.538 -2.491 150 HB3 CYS 23 HB3 CYS 23 -0.138 -6.134 -2.059 151 H CYS 24 H CYS 24 -2.946 -7.975 0.595 152 HA CYS 24 HA CYS 24 -2.672 -10.839 0.024 153 HB2 CYS 24 HB2 CYS 24 -3.457 -11.438 2.248 154 HB3 CYS 24 HB3 CYS 24 -1.993 -10.467 2.373 Start of MODEL 16 1 H1 CYS 1 H CYS 1 -2.333 1.053 -1.926 2 HA CYS 1 HA CYS 1 -0.913 1.661 -0.145 3 HB2 CYS 1 HB2 CYS 1 1.367 0.492 -0.028 4 HB3 CYS 1 HB3 CYS 1 -0.049 -0.459 0.410 5 HA PRO 2 HA PRO 2 1.324 4.620 -2.489 6 HB2 PRO 2 HB2 PRO 2 3.212 5.419 -0.709 7 HB3 PRO 2 HB3 PRO 2 1.505 5.850 -0.557 8 HG2 PRO 2 HG2 PRO 2 3.044 3.689 0.830 9 HG3 PRO 2 HG3 PRO 2 1.847 4.815 1.497 10 HD2 PRO 2 HD2 PRO 2 1.241 2.254 0.857 11 HD3 PRO 2 HD3 PRO 2 0.065 3.577 0.720 12 H ASP 3 H ASP 3 3.237 2.129 -0.877 13 HA ASP 3 HA ASP 3 5.702 2.511 -2.057 14 HB2 ASP 3 HB2 ASP 3 4.256 0.137 -0.987 15 HB3 ASP 3 HB3 ASP 3 5.713 -0.151 -1.933 16 HA PRO 4 HA PRO 4 5.400 1.524 -6.319 17 HB2 PRO 4 HB2 PRO 4 7.686 0.129 -6.764 18 HB3 PRO 4 HB3 PRO 4 7.667 1.871 -6.465 19 HG2 PRO 4 HG2 PRO 4 8.264 -0.370 -4.572 20 HG3 PRO 4 HG3 PRO 4 9.097 1.183 -4.765 21 HD2 PRO 4 HD2 PRO 4 7.311 0.725 -2.782 22 HD3 PRO 4 HD3 PRO 4 7.526 2.324 -3.524 23 H VAL 5 H VAL 5 5.983 -0.502 -7.864 24 HA VAL 5 HA VAL 5 4.024 -2.428 -7.396 25 HB VAL 5 HB VAL 5 6.462 -2.764 -9.147 26 HG11 VAL 5 HG11 VAL 5 4.804 -4.160 -10.480 27 HG12 VAL 5 HG12 VAL 5 5.394 -4.852 -8.968 28 HG13 VAL 5 HG13 VAL 5 3.787 -4.127 -9.040 29 HG21 VAL 5 HG21 VAL 5 5.670 -0.981 -10.241 30 HG22 VAL 5 HG22 VAL 5 4.376 -2.049 -10.782 31 HG23 VAL 5 HG23 VAL 5 4.136 -1.017 -9.372 32 H TYR 6 H TYR 6 4.052 -4.523 -6.647 33 HA TYR 6 HA TYR 6 6.513 -5.365 -5.260 34 HB2 TYR 6 HB2 TYR 6 3.661 -5.368 -4.377 35 HB3 TYR 6 HB3 TYR 6 4.714 -6.659 -3.809 36 HD1 TYR 6 HD1 TYR 6 7.060 -5.788 -2.876 37 HD2 TYR 6 HD2 TYR 6 3.496 -3.472 -3.076 38 HE1 TYR 6 HE1 TYR 6 7.930 -4.308 -1.115 39 HE2 TYR 6 HE2 TYR 6 4.357 -1.985 -1.316 40 HH TYR 6 HH TYR 6 7.068 -1.446 -0.525 41 H THR 7 H THR 7 6.656 -7.737 -4.908 42 HA THR 7 HA THR 7 6.619 -9.155 -7.274 43 HB THR 7 HB THR 7 6.888 -11.200 -5.933 44 HG1 THR 7 HG1 THR 7 6.535 -9.577 -3.627 45 HG21 THR 7 HG21 THR 7 8.662 -9.235 -6.165 46 HG22 THR 7 HG22 THR 7 8.990 -10.677 -5.204 47 HG23 THR 7 HG23 THR 7 8.466 -9.190 -4.414 48 H CYS 8 H CYS 8 4.110 -8.878 -4.826 49 HA CYS 8 HA CYS 8 2.417 -10.934 -5.566 50 HB2 CYS 8 HB2 CYS 8 1.828 -8.180 -4.487 51 HB3 CYS 8 HB3 CYS 8 0.567 -9.383 -4.736 52 H ARG 9 H ARG 9 0.221 -10.619 -6.639 53 HA ARG 9 HA ARG 9 0.693 -9.476 -9.282 54 HB2 ARG 9 HB2 ARG 9 -1.223 -11.491 -8.168 55 HB3 ARG 9 HB3 ARG 9 -1.603 -10.677 -9.680 56 HG2 ARG 9 HG2 ARG 9 0.936 -12.211 -9.172 57 HG3 ARG 9 HG3 ARG 9 -0.495 -12.874 -9.964 58 HD2 ARG 9 HD2 ARG 9 -0.317 -11.108 -11.682 59 HD3 ARG 9 HD3 ARG 9 1.162 -10.538 -10.909 60 HE ARG 9 HE ARG 9 1.644 -13.171 -11.404 61 HH11 ARG 9 HH11 ARG 9 0.648 -10.462 -13.351 62 HH12 ARG 9 HH12 ARG 9 1.400 -11.056 -14.795 63 HH21 ARG 9 HH21 ARG 9 2.637 -13.964 -13.298 64 HH22 ARG 9 HH22 ARG 9 2.530 -13.049 -14.763 65 HA PRO 10 HA PRO 10 -1.990 -6.033 -8.847 66 HB2 PRO 10 HB2 PRO 10 -3.209 -5.945 -11.272 67 HB3 PRO 10 HB3 PRO 10 -1.513 -5.511 -11.033 68 HG2 PRO 10 HG2 PRO 10 -2.689 -8.073 -12.040 69 HG3 PRO 10 HG3 PRO 10 -1.284 -7.175 -12.641 70 HD2 PRO 10 HD2 PRO 10 -1.049 -9.356 -11.054 71 HD3 PRO 10 HD3 PRO 10 0.108 -8.011 -11.005 72 H GLY 11 H GLY 11 -4.325 -5.311 -9.162 73 HA2 GLY 11 HA2 GLY 11 -6.625 -5.732 -9.111 74 HA3 GLY 11 HA3 GLY 11 -6.288 -7.456 -9.165 75 H GLN 12 H GLN 12 -4.713 -7.891 -7.019 76 HA GLN 12 HA GLN 12 -6.555 -7.889 -4.884 77 HB2 GLN 12 HB2 GLN 12 -4.515 -9.442 -5.369 78 HB3 GLN 12 HB3 GLN 12 -3.608 -8.242 -4.459 79 HG2 GLN 12 HG2 GLN 12 -4.141 -9.667 -2.778 80 HG3 GLN 12 HG3 GLN 12 -5.545 -8.602 -2.711 81 HE21 GLN 12 HE21 GLN 12 -7.532 -9.347 -3.436 82 HE22 GLN 12 HE22 GLN 12 -7.848 -11.024 -3.703 83 H THR 13 H THR 13 -6.502 -6.802 -2.888 84 HA THR 13 HA THR 13 -5.605 -4.063 -3.086 85 HB THR 13 HB THR 13 -6.826 -3.651 -1.068 86 HG1 THR 13 HG1 THR 13 -6.339 -5.360 0.239 87 HG21 THR 13 HG21 THR 13 -7.991 -4.704 -3.353 88 HG22 THR 13 HG22 THR 13 -8.820 -3.824 -2.068 89 HG23 THR 13 HG23 THR 13 -8.764 -5.586 -2.036 90 H CYS 14 H CYS 14 -4.063 -3.058 -1.847 91 HA CYS 14 HA CYS 14 -2.013 -4.769 -0.746 92 HB2 CYS 14 HB2 CYS 14 -1.787 -2.526 -2.127 93 HB3 CYS 14 HB3 CYS 14 -1.903 -1.790 -0.531 94 H CYS 15 H CYS 15 -1.587 -5.141 1.347 95 HA CYS 15 HA CYS 15 -3.236 -3.728 3.339 96 HB2 CYS 15 HB2 CYS 15 -2.914 -5.780 4.750 97 HB3 CYS 15 HB3 CYS 15 -3.848 -6.048 3.282 98 H ARG 16 H ARG 16 -2.289 -2.948 5.194 99 HA ARG 16 HA ARG 16 0.654 -2.901 5.179 100 HB2 ARG 16 HB2 ARG 16 -1.289 -0.934 6.405 101 HB3 ARG 16 HB3 ARG 16 0.464 -0.806 6.462 102 HG2 ARG 16 HG2 ARG 16 0.622 -0.347 4.177 103 HG3 ARG 16 HG3 ARG 16 -1.011 -0.934 3.857 104 HD2 ARG 16 HD2 ARG 16 -0.726 1.335 5.742 105 HD3 ARG 16 HD3 ARG 16 -0.415 1.661 4.037 106 HE ARG 16 HE ARG 16 -2.948 1.237 5.253 107 HH11 ARG 16 HH11 ARG 16 -1.147 0.675 2.326 108 HH12 ARG 16 HH12 ARG 16 -2.553 0.634 1.315 109 HH21 ARG 16 HH21 ARG 16 -4.806 1.184 3.931 110 HH22 ARG 16 HH22 ARG 16 -4.634 0.924 2.229 111 H GLY 17 H GLY 17 -0.770 -5.090 6.295 112 HA2 GLY 17 HA2 GLY 17 -1.046 -4.803 9.119 113 HA3 GLY 17 HA3 GLY 17 -0.982 -6.318 8.231 114 H LEU 18 H LEU 18 1.124 -7.171 7.663 115 HA LEU 18 HA LEU 18 2.891 -7.305 9.778 116 HB2 LEU 18 HB2 LEU 18 3.547 -7.708 6.863 117 HB3 LEU 18 HB3 LEU 18 4.470 -8.327 8.231 118 HG LEU 18 HG LEU 18 1.610 -9.129 7.840 119 HD11 LEU 18 HD11 LEU 18 2.414 -11.091 6.584 120 HD12 LEU 18 HD12 LEU 18 4.016 -10.359 6.505 121 HD13 LEU 18 HD13 LEU 18 2.650 -9.579 5.708 122 HD21 LEU 18 HD21 LEU 18 2.692 -9.669 9.956 123 HD22 LEU 18 HD22 LEU 18 4.003 -10.473 9.093 124 HD23 LEU 18 HD23 LEU 18 2.368 -11.131 9.024 125 H HIS 19 H HIS 19 5.215 -6.658 9.792 126 HA HIS 19 HA HIS 19 5.527 -3.917 9.865 127 HB2 HIS 19 HB2 HIS 19 7.744 -5.916 9.379 128 HB3 HIS 19 HB3 HIS 19 7.910 -4.310 10.083 129 HD1 HIS 19 HD1 HIS 19 5.256 -4.812 11.922 130 HD2 HIS 19 HD2 HIS 19 8.726 -7.091 11.740 131 HE1 HIS 19 HE1 HIS 19 5.370 -6.040 14.114 132 H GLY 20 H GLY 20 6.106 -6.143 7.203 133 HA2 GLY 20 HA2 GLY 20 6.969 -3.886 5.521 134 HA3 GLY 20 HA3 GLY 20 7.239 -5.585 5.161 135 H TYR 21 H TYR 21 5.853 -3.232 3.762 136 HA TYR 21 HA TYR 21 3.125 -3.609 3.569 137 HB2 TYR 21 HB2 TYR 21 5.165 -2.723 1.540 138 HB3 TYR 21 HB3 TYR 21 3.451 -2.794 1.151 139 HD1 TYR 21 HD1 TYR 21 2.049 -1.003 1.682 140 HD2 TYR 21 HD2 TYR 21 5.856 -1.290 3.559 141 HE1 TYR 21 HE1 TYR 21 1.729 1.231 2.658 142 HE2 TYR 21 HE2 TYR 21 5.546 0.943 4.542 143 HH TYR 21 HH TYR 21 2.588 2.820 3.943 144 H GLY 22 H GLY 22 1.835 -5.146 2.775 145 HA2 GLY 22 HA2 GLY 22 2.950 -7.083 0.862 146 HA3 GLY 22 HA3 GLY 22 2.185 -7.669 2.332 147 H CYS 23 H CYS 23 1.127 -8.639 0.136 148 HA CYS 23 HA CYS 23 -1.192 -6.964 -0.535 149 HB2 CYS 23 HB2 CYS 23 -1.496 -8.417 -2.471 150 HB3 CYS 23 HB3 CYS 23 0.145 -7.781 -2.439 151 H CYS 24 H CYS 24 -3.236 -7.588 -0.066 152 HA CYS 24 HA CYS 24 -3.647 -10.260 1.082 153 HB2 CYS 24 HB2 CYS 24 -4.565 -7.641 2.281 154 HB3 CYS 24 HB3 CYS 24 -5.143 -9.219 2.804 Start of MODEL 17 1 H1 CYS 1 H CYS 1 1.265 4.142 0.316 2 HA CYS 1 HA CYS 1 2.143 2.539 -1.112 3 HB2 CYS 1 HB2 CYS 1 1.361 0.137 -0.869 4 HB3 CYS 1 HB3 CYS 1 2.255 0.795 0.498 5 HA PRO 2 HA PRO 2 -1.845 3.427 -3.293 6 HB2 PRO 2 HB2 PRO 2 -0.694 4.871 -5.283 7 HB3 PRO 2 HB3 PRO 2 -1.183 5.581 -3.740 8 HG2 PRO 2 HG2 PRO 2 1.531 4.698 -4.644 9 HG3 PRO 2 HG3 PRO 2 1.068 6.164 -3.760 10 HD2 PRO 2 HD2 PRO 2 2.142 4.001 -2.534 11 HD3 PRO 2 HD3 PRO 2 0.962 5.062 -1.738 12 H ASP 3 H ASP 3 1.317 2.383 -4.460 13 HA ASP 3 HA ASP 3 0.273 0.136 -5.809 14 HB2 ASP 3 HB2 ASP 3 -0.387 2.082 -7.350 15 HB3 ASP 3 HB3 ASP 3 1.331 2.216 -7.714 16 HA PRO 4 HA PRO 4 4.829 0.289 -4.764 17 HB2 PRO 4 HB2 PRO 4 4.779 -1.830 -3.068 18 HB3 PRO 4 HB3 PRO 4 4.468 -0.172 -2.542 19 HG2 PRO 4 HG2 PRO 4 2.520 -2.354 -3.176 20 HG3 PRO 4 HG3 PRO 4 2.505 -1.197 -1.833 21 HD2 PRO 4 HD2 PRO 4 0.969 -0.886 -4.041 22 HD3 PRO 4 HD3 PRO 4 1.625 0.491 -3.132 23 H VAL 5 H VAL 5 6.430 -1.413 -5.155 24 HA VAL 5 HA VAL 5 5.484 -3.284 -7.209 25 HB VAL 5 HB VAL 5 7.946 -3.474 -7.769 26 HG11 VAL 5 HG11 VAL 5 7.781 -1.768 -9.274 27 HG12 VAL 5 HG12 VAL 5 6.099 -1.849 -8.746 28 HG13 VAL 5 HG13 VAL 5 7.175 -0.622 -8.077 29 HG21 VAL 5 HG21 VAL 5 8.246 -2.094 -5.377 30 HG22 VAL 5 HG22 VAL 5 9.504 -2.428 -6.567 31 HG23 VAL 5 HG23 VAL 5 8.619 -0.904 -6.624 32 H TYR 6 H TYR 6 5.003 -5.215 -6.372 33 HA TYR 6 HA TYR 6 7.006 -6.495 -4.638 34 HB2 TYR 6 HB2 TYR 6 4.072 -6.188 -4.200 35 HB3 TYR 6 HB3 TYR 6 4.830 -7.694 -3.693 36 HD1 TYR 6 HD1 TYR 6 6.152 -7.795 -1.728 37 HD2 TYR 6 HD2 TYR 6 4.871 -4.023 -3.224 38 HE1 TYR 6 HE1 TYR 6 6.898 -6.722 0.355 39 HE2 TYR 6 HE2 TYR 6 5.615 -2.940 -1.145 40 HH TYR 6 HH TYR 6 7.377 -4.714 1.324 41 H THR 7 H THR 7 6.796 -8.891 -4.608 42 HA THR 7 HA THR 7 7.004 -9.992 -7.128 43 HB THR 7 HB THR 7 6.873 -12.182 -6.097 44 HG1 THR 7 HG1 THR 7 5.690 -10.743 -3.955 45 HG21 THR 7 HG21 THR 7 8.154 -10.581 -3.936 46 HG22 THR 7 HG22 THR 7 8.776 -10.422 -5.578 47 HG23 THR 7 HG23 THR 7 8.752 -12.001 -4.794 48 H CYS 8 H CYS 8 4.153 -9.614 -5.113 49 HA CYS 8 HA CYS 8 2.405 -11.306 -6.503 50 HB2 CYS 8 HB2 CYS 8 1.674 -8.720 -5.117 51 HB3 CYS 8 HB3 CYS 8 0.614 -10.090 -5.429 52 H ARG 9 H ARG 9 0.257 -9.920 -7.370 53 HA ARG 9 HA ARG 9 1.309 -8.487 -9.717 54 HB2 ARG 9 HB2 ARG 9 -0.924 -10.423 -9.348 55 HB3 ARG 9 HB3 ARG 9 -1.136 -9.152 -10.545 56 HG2 ARG 9 HG2 ARG 9 0.622 -9.922 -11.857 57 HG3 ARG 9 HG3 ARG 9 1.322 -10.859 -10.535 58 HD2 ARG 9 HD2 ARG 9 -0.974 -12.132 -10.657 59 HD3 ARG 9 HD3 ARG 9 -0.997 -11.490 -12.299 60 HE ARG 9 HE ARG 9 0.658 -12.970 -12.864 61 HH11 ARG 9 HH11 ARG 9 0.429 -12.777 -9.395 62 HH12 ARG 9 HH12 ARG 9 1.518 -14.096 -9.120 63 HH21 ARG 9 HH21 ARG 9 2.092 -14.708 -12.514 64 HH22 ARG 9 HH22 ARG 9 2.464 -15.193 -10.894 65 HA PRO 10 HA PRO 10 -0.908 -4.839 -8.707 66 HB2 PRO 10 HB2 PRO 10 -1.829 -4.016 -11.124 67 HB3 PRO 10 HB3 PRO 10 -0.124 -3.930 -10.665 68 HG2 PRO 10 HG2 PRO 10 -1.534 -5.976 -12.334 69 HG3 PRO 10 HG3 PRO 10 0.042 -5.209 -12.600 70 HD2 PRO 10 HD2 PRO 10 -0.210 -7.697 -11.561 71 HD3 PRO 10 HD3 PRO 10 1.113 -6.603 -11.109 72 H GLY 11 H GLY 11 -3.089 -3.666 -9.196 73 HA2 GLY 11 HA2 GLY 11 -5.414 -3.751 -9.454 74 HA3 GLY 11 HA3 GLY 11 -5.299 -5.485 -9.715 75 H GLN 12 H GLN 12 -3.965 -6.303 -7.449 76 HA GLN 12 HA GLN 12 -6.058 -6.424 -5.567 77 HB2 GLN 12 HB2 GLN 12 -4.164 -8.097 -5.932 78 HB3 GLN 12 HB3 GLN 12 -3.166 -7.019 -4.965 79 HG2 GLN 12 HG2 GLN 12 -4.349 -7.440 -3.029 80 HG3 GLN 12 HG3 GLN 12 -5.780 -7.986 -3.901 81 HE21 GLN 12 HE21 GLN 12 -4.902 -9.869 -5.556 82 HE22 GLN 12 HE22 GLN 12 -4.177 -11.179 -4.694 83 H THR 13 H THR 13 -6.158 -5.614 -3.424 84 HA THR 13 HA THR 13 -5.202 -2.901 -3.201 85 HB THR 13 HB THR 13 -7.456 -3.357 -2.458 86 HG1 THR 13 HG1 THR 13 -5.923 -1.902 -1.208 87 HG21 THR 13 HG21 THR 13 -7.317 -5.669 -1.840 88 HG22 THR 13 HG22 THR 13 -7.827 -4.761 -0.417 89 HG23 THR 13 HG23 THR 13 -6.158 -5.311 -0.561 90 H CYS 14 H CYS 14 -3.798 -2.081 -1.667 91 HA CYS 14 HA CYS 14 -1.788 -3.913 -0.725 92 HB2 CYS 14 HB2 CYS 14 -1.026 -1.807 -1.577 93 HB3 CYS 14 HB3 CYS 14 -2.098 -0.918 -0.501 94 H CYS 15 H CYS 15 -1.332 -4.497 1.354 95 HA CYS 15 HA CYS 15 -3.200 -3.574 3.436 96 HB2 CYS 15 HB2 CYS 15 -2.996 -5.886 4.419 97 HB3 CYS 15 HB3 CYS 15 -3.870 -5.803 2.894 98 H ARG 16 H ARG 16 -2.338 -3.020 5.368 99 HA ARG 16 HA ARG 16 0.588 -3.211 5.606 100 HB2 ARG 16 HB2 ARG 16 -1.416 -1.224 6.640 101 HB3 ARG 16 HB3 ARG 16 0.177 -1.364 7.372 102 HG2 ARG 16 HG2 ARG 16 1.258 -0.579 5.487 103 HG3 ARG 16 HG3 ARG 16 -0.087 -0.991 4.421 104 HD2 ARG 16 HD2 ARG 16 -0.769 1.118 4.572 105 HD3 ARG 16 HD3 ARG 16 -1.124 0.829 6.275 106 HE ARG 16 HE ARG 16 1.102 2.299 5.187 107 HH11 ARG 16 HH11 ARG 16 -0.134 0.556 7.935 108 HH12 ARG 16 HH12 ARG 16 0.907 1.349 9.071 109 HH21 ARG 16 HH21 ARG 16 2.478 3.350 6.672 110 HH22 ARG 16 HH22 ARG 16 2.392 2.938 8.351 111 H GLY 17 H GLY 17 -1.113 -5.408 6.288 112 HA2 GLY 17 HA2 GLY 17 -1.629 -5.512 9.075 113 HA3 GLY 17 HA3 GLY 17 -1.518 -6.893 7.995 114 H LEU 18 H LEU 18 0.865 -7.293 7.251 115 HA LEU 18 HA LEU 18 2.339 -7.891 9.620 116 HB2 LEU 18 HB2 LEU 18 2.765 -8.292 6.693 117 HB3 LEU 18 HB3 LEU 18 4.112 -8.525 7.806 118 HG LEU 18 HG LEU 18 3.068 -10.646 7.274 119 HD11 LEU 18 HD11 LEU 18 3.649 -9.715 9.794 120 HD12 LEU 18 HD12 LEU 18 3.380 -11.399 9.349 121 HD13 LEU 18 HD13 LEU 18 2.051 -10.434 9.992 122 HD21 LEU 18 HD21 LEU 18 0.746 -9.338 7.055 123 HD22 LEU 18 HD22 LEU 18 0.556 -9.980 8.687 124 HD23 LEU 18 HD23 LEU 18 0.845 -11.077 7.336 125 H HIS 19 H HIS 19 4.688 -7.347 9.828 126 HA HIS 19 HA HIS 19 5.103 -4.653 10.182 127 HB2 HIS 19 HB2 HIS 19 7.200 -6.757 9.604 128 HB3 HIS 19 HB3 HIS 19 7.512 -5.178 10.318 129 HD1 HIS 19 HD1 HIS 19 6.484 -4.786 12.746 130 HD2 HIS 19 HD2 HIS 19 6.430 -8.706 11.371 131 HE1 HIS 19 HE1 HIS 19 6.081 -6.207 14.782 132 H GLY 20 H GLY 20 5.654 -6.588 7.304 133 HA2 GLY 20 HA2 GLY 20 6.578 -4.161 5.902 134 HA3 GLY 20 HA3 GLY 20 6.962 -5.803 5.408 135 H TYR 21 H TYR 21 5.568 -3.441 4.091 136 HA TYR 21 HA TYR 21 2.870 -3.868 3.717 137 HB2 TYR 21 HB2 TYR 21 4.826 -3.039 1.565 138 HB3 TYR 21 HB3 TYR 21 3.098 -2.707 1.597 139 HD1 TYR 21 HD1 TYR 21 2.221 -1.273 3.553 140 HD2 TYR 21 HD2 TYR 21 6.329 -1.504 2.472 141 HE1 TYR 21 HE1 TYR 21 2.644 0.843 4.733 142 HE2 TYR 21 HE2 TYR 21 6.764 0.610 3.650 143 HH TYR 21 HH TYR 21 5.387 2.660 4.320 144 H GLY 22 H GLY 22 1.638 -5.318 2.669 145 HA2 GLY 22 HA2 GLY 22 2.973 -7.236 0.872 146 HA3 GLY 22 HA3 GLY 22 1.937 -7.813 2.169 147 H CYS 23 H CYS 23 1.222 -8.692 -0.187 148 HA CYS 23 HA CYS 23 -0.781 -6.872 -1.306 149 HB2 CYS 23 HB2 CYS 23 -0.958 -8.539 -3.129 150 HB3 CYS 23 HB3 CYS 23 0.684 -7.937 -2.926 151 H CYS 24 H CYS 24 -2.895 -7.113 -0.948 152 HA CYS 24 HA CYS 24 -3.946 -9.691 -0.074 153 HB2 CYS 24 HB2 CYS 24 -4.362 -7.134 1.489 154 HB3 CYS 24 HB3 CYS 24 -5.152 -8.672 1.817 Start of MODEL 18 1 H1 CYS 1 H CYS 1 -2.068 2.184 -1.752 2 HA CYS 1 HA CYS 1 -0.601 2.467 0.437 3 HB2 CYS 1 HB2 CYS 1 0.654 0.494 0.934 4 HB3 CYS 1 HB3 CYS 1 -1.044 0.030 0.904 5 HA PRO 2 HA PRO 2 2.343 3.771 -2.545 6 HB2 PRO 2 HB2 PRO 2 4.605 3.843 -1.046 7 HB3 PRO 2 HB3 PRO 2 3.301 5.023 -0.873 8 HG2 PRO 2 HG2 PRO 2 3.894 2.599 0.781 9 HG3 PRO 2 HG3 PRO 2 3.416 4.224 1.308 10 HD2 PRO 2 HD2 PRO 2 1.664 2.164 1.163 11 HD3 PRO 2 HD3 PRO 2 1.185 3.847 0.864 12 H ASP 3 H ASP 3 2.081 1.659 -3.688 13 HA ASP 3 HA ASP 3 4.504 0.002 -3.418 14 HB2 ASP 3 HB2 ASP 3 1.662 -0.703 -3.967 15 HB3 ASP 3 HB3 ASP 3 2.909 -1.652 -4.771 16 HA PRO 4 HA PRO 4 4.672 2.172 -7.521 17 HB2 PRO 4 HB2 PRO 4 7.298 2.835 -7.326 18 HB3 PRO 4 HB3 PRO 4 6.001 3.841 -6.668 19 HG2 PRO 4 HG2 PRO 4 7.781 1.885 -5.263 20 HG3 PRO 4 HG3 PRO 4 7.267 3.502 -4.746 21 HD2 PRO 4 HD2 PRO 4 6.120 1.238 -3.802 22 HD3 PRO 4 HD3 PRO 4 5.216 2.752 -4.008 23 H VAL 5 H VAL 5 6.844 -0.128 -5.951 24 HA VAL 5 HA VAL 5 7.825 -1.108 -8.507 25 HB VAL 5 HB VAL 5 8.408 -2.194 -5.751 26 HG11 VAL 5 HG11 VAL 5 9.816 -2.508 -8.399 27 HG12 VAL 5 HG12 VAL 5 10.428 -3.096 -6.852 28 HG13 VAL 5 HG13 VAL 5 8.934 -3.755 -7.518 29 HG21 VAL 5 HG21 VAL 5 10.603 -0.892 -6.147 30 HG22 VAL 5 HG22 VAL 5 9.653 0.049 -7.298 31 HG23 VAL 5 HG23 VAL 5 9.180 -0.005 -5.600 32 H TYR 6 H TYR 6 7.450 -3.155 -9.333 33 HA TYR 6 HA TYR 6 4.893 -4.279 -8.756 34 HB2 TYR 6 HB2 TYR 6 7.106 -5.405 -10.483 35 HB3 TYR 6 HB3 TYR 6 5.411 -5.880 -10.516 36 HD1 TYR 6 HD1 TYR 6 4.000 -3.337 -10.492 37 HD2 TYR 6 HD2 TYR 6 7.572 -4.426 -12.532 38 HE1 TYR 6 HE1 TYR 6 3.548 -1.616 -12.190 39 HE2 TYR 6 HE2 TYR 6 7.131 -2.707 -14.234 40 HH TYR 6 HH TYR 6 4.603 -1.493 -15.010 41 H THR 7 H THR 7 4.641 -5.291 -6.855 42 HA THR 7 HA THR 7 6.595 -7.383 -6.146 43 HB THR 7 HB THR 7 5.917 -7.074 -3.790 44 HG1 THR 7 HG1 THR 7 3.911 -6.168 -3.896 45 HG21 THR 7 HG21 THR 7 6.900 -4.575 -5.173 46 HG22 THR 7 HG22 THR 7 7.891 -5.908 -4.581 47 HG23 THR 7 HG23 THR 7 7.016 -4.885 -3.441 48 H CYS 8 H CYS 8 3.168 -6.460 -5.938 49 HA CYS 8 HA CYS 8 2.487 -9.324 -5.815 50 HB2 CYS 8 HB2 CYS 8 1.156 -6.891 -4.663 51 HB3 CYS 8 HB3 CYS 8 0.225 -8.354 -4.970 52 H ARG 9 H ARG 9 0.222 -9.753 -6.745 53 HA ARG 9 HA ARG 9 0.231 -8.757 -9.469 54 HB2 ARG 9 HB2 ARG 9 -1.029 -11.032 -8.027 55 HB3 ARG 9 HB3 ARG 9 -1.852 -10.433 -9.461 56 HG2 ARG 9 HG2 ARG 9 -0.284 -11.236 -10.863 57 HG3 ARG 9 HG3 ARG 9 1.041 -10.901 -9.746 58 HD2 ARG 9 HD2 ARG 9 -0.931 -13.171 -9.508 59 HD3 ARG 9 HD3 ARG 9 0.723 -13.308 -10.102 60 HE ARG 9 HE ARG 9 0.666 -12.150 -7.513 61 HH11 ARG 9 HH11 ARG 9 0.341 -15.184 -9.189 62 HH12 ARG 9 HH12 ARG 9 0.871 -16.134 -7.841 63 HH21 ARG 9 HH21 ARG 9 1.365 -13.390 -5.731 64 HH22 ARG 9 HH22 ARG 9 1.452 -15.113 -5.874 65 HA PRO 10 HA PRO 10 -3.100 -5.918 -9.172 66 HB2 PRO 10 HB2 PRO 10 -4.478 -6.385 -11.464 67 HB3 PRO 10 HB3 PRO 10 -2.900 -5.590 -11.438 68 HG2 PRO 10 HG2 PRO 10 -3.573 -8.443 -12.042 69 HG3 PRO 10 HG3 PRO 10 -2.437 -7.363 -12.870 70 HD2 PRO 10 HD2 PRO 10 -1.631 -9.232 -11.084 71 HD3 PRO 10 HD3 PRO 10 -0.787 -7.685 -11.293 72 H GLY 11 H GLY 11 -5.470 -5.685 -9.086 73 HA2 GLY 11 HA2 GLY 11 -7.638 -6.493 -8.744 74 HA3 GLY 11 HA3 GLY 11 -7.020 -8.134 -8.857 75 H GLN 12 H GLN 12 -5.116 -8.238 -6.936 76 HA GLN 12 HA GLN 12 -6.656 -8.504 -4.575 77 HB2 GLN 12 HB2 GLN 12 -4.444 -9.704 -5.382 78 HB3 GLN 12 HB3 GLN 12 -3.673 -8.417 -4.465 79 HG2 GLN 12 HG2 GLN 12 -4.526 -9.159 -2.450 80 HG3 GLN 12 HG3 GLN 12 -5.834 -10.057 -3.219 81 HE21 GLN 12 HE21 GLN 12 -2.623 -10.145 -2.065 82 HE22 GLN 12 HE22 GLN 12 -2.282 -11.793 -2.456 83 H THR 13 H THR 13 -6.676 -7.321 -2.689 84 HA THR 13 HA THR 13 -5.954 -4.523 -2.975 85 HB THR 13 HB THR 13 -8.169 -5.160 -2.055 86 HG1 THR 13 HG1 THR 13 -6.950 -3.170 -1.452 87 HG21 THR 13 HG21 THR 13 -6.571 -6.127 0.319 88 HG22 THR 13 HG22 THR 13 -7.459 -7.155 -0.806 89 HG23 THR 13 HG23 THR 13 -8.328 -6.018 0.224 90 H CYS 14 H CYS 14 -4.385 -3.472 -1.874 91 HA CYS 14 HA CYS 14 -2.378 -5.065 -0.555 92 HB2 CYS 14 HB2 CYS 14 -1.650 -3.291 -2.030 93 HB3 CYS 14 HB3 CYS 14 -2.559 -2.098 -1.108 94 H CYS 15 H CYS 15 -2.018 -5.263 1.573 95 HA CYS 15 HA CYS 15 -3.547 -3.535 3.404 96 HB2 CYS 15 HB2 CYS 15 -3.658 -5.579 4.920 97 HB3 CYS 15 HB3 CYS 15 -4.682 -5.611 3.488 98 H ARG 16 H ARG 16 -2.559 -3.000 5.359 99 HA ARG 16 HA ARG 16 0.349 -3.427 5.392 100 HB2 ARG 16 HB2 ARG 16 -0.804 -1.074 5.359 101 HB3 ARG 16 HB3 ARG 16 -1.037 -1.375 7.075 102 HG2 ARG 16 HG2 ARG 16 1.457 -1.811 7.192 103 HG3 ARG 16 HG3 ARG 16 1.544 -1.132 5.566 104 HD2 ARG 16 HD2 ARG 16 1.992 0.681 6.972 105 HD3 ARG 16 HD3 ARG 16 0.295 0.877 6.536 106 HE ARG 16 HE ARG 16 -0.245 0.617 8.737 107 HH11 ARG 16 HH11 ARG 16 2.946 -0.671 8.211 108 HH12 ARG 16 HH12 ARG 16 3.242 -0.974 9.891 109 HH21 ARG 16 HH21 ARG 16 0.133 0.223 10.951 110 HH22 ARG 16 HH22 ARG 16 1.641 -0.466 11.449 111 H GLY 17 H GLY 17 -1.435 -5.447 6.346 112 HA2 GLY 17 HA2 GLY 17 -1.794 -5.381 9.138 113 HA3 GLY 17 HA3 GLY 17 -1.731 -6.833 8.150 114 H LEU 18 H LEU 18 0.392 -7.718 7.644 115 HA LEU 18 HA LEU 18 1.982 -8.115 9.863 116 HB2 LEU 18 HB2 LEU 18 2.395 -8.490 6.937 117 HB3 LEU 18 HB3 LEU 18 3.769 -8.693 8.021 118 HG LEU 18 HG LEU 18 2.617 -10.482 9.190 119 HD11 LEU 18 HD11 LEU 18 0.470 -11.330 8.015 120 HD12 LEU 18 HD12 LEU 18 0.344 -9.673 7.424 121 HD13 LEU 18 HD13 LEU 18 0.358 -9.992 9.159 122 HD21 LEU 18 HD21 LEU 18 2.960 -12.114 7.603 123 HD22 LEU 18 HD22 LEU 18 3.867 -10.766 6.917 124 HD23 LEU 18 HD23 LEU 18 2.259 -11.152 6.303 125 H HIS 19 H HIS 19 4.323 -7.571 10.106 126 HA HIS 19 HA HIS 19 4.727 -4.871 10.479 127 HB2 HIS 19 HB2 HIS 19 6.109 -6.995 11.232 128 HB3 HIS 19 HB3 HIS 19 7.089 -6.583 9.828 129 HD1 HIS 19 HD1 HIS 19 9.117 -5.492 10.736 130 HD2 HIS 19 HD2 HIS 19 5.661 -4.136 12.600 131 HE1 HIS 19 HE1 HIS 19 9.865 -3.662 12.290 132 H GLY 20 H GLY 20 5.377 -6.822 7.628 133 HA2 GLY 20 HA2 GLY 20 6.398 -4.425 6.250 134 HA3 GLY 20 HA3 GLY 20 6.685 -6.083 5.741 135 H TYR 21 H TYR 21 5.427 -3.601 4.471 136 HA TYR 21 HA TYR 21 2.715 -3.894 4.063 137 HB2 TYR 21 HB2 TYR 21 4.927 -2.860 2.316 138 HB3 TYR 21 HB3 TYR 21 3.277 -2.939 1.707 139 HD1 TYR 21 HD1 TYR 21 1.754 -1.232 2.197 140 HD2 TYR 21 HD2 TYR 21 5.332 -1.546 4.477 141 HE1 TYR 21 HE1 TYR 21 1.250 0.922 3.273 142 HE2 TYR 21 HE2 TYR 21 4.837 0.606 5.561 143 HH TYR 21 HH TYR 21 1.827 2.097 5.399 144 H GLY 22 H GLY 22 1.446 -5.313 3.041 145 HA2 GLY 22 HA2 GLY 22 2.580 -7.049 0.977 146 HA3 GLY 22 HA3 GLY 22 1.905 -7.826 2.402 147 H CYS 23 H CYS 23 0.785 -8.603 0.167 148 HA CYS 23 HA CYS 23 -1.693 -7.028 -0.087 149 HB2 CYS 23 HB2 CYS 23 -1.957 -8.109 -2.308 150 HB3 CYS 23 HB3 CYS 23 -0.503 -7.123 -2.195 151 H CYS 24 H CYS 24 -3.587 -7.965 0.404 152 HA CYS 24 HA CYS 24 -3.760 -10.872 0.611 153 HB2 CYS 24 HB2 CYS 24 -4.782 -10.743 2.852 154 HB3 CYS 24 HB3 CYS 24 -3.118 -10.168 2.856 Start of MODEL 19 1 H1 CYS 1 H CYS 1 -0.837 3.133 -1.214 2 HA CYS 1 HA CYS 1 1.177 1.857 -0.005 3 HB2 CYS 1 HB2 CYS 1 0.352 0.039 -2.270 4 HB3 CYS 1 HB3 CYS 1 1.637 -0.222 -1.095 5 HA PRO 2 HA PRO 2 2.121 4.499 -3.735 6 HB2 PRO 2 HB2 PRO 2 3.379 6.460 -2.341 7 HB3 PRO 2 HB3 PRO 2 1.634 6.447 -2.619 8 HG2 PRO 2 HG2 PRO 2 3.171 5.598 -0.195 9 HG3 PRO 2 HG3 PRO 2 1.673 6.541 -0.296 10 HD2 PRO 2 HD2 PRO 2 1.694 3.900 0.297 11 HD3 PRO 2 HD3 PRO 2 0.365 4.667 -0.595 12 H ASP 3 H ASP 3 4.034 3.594 -0.904 13 HA ASP 3 HA ASP 3 6.592 4.048 -1.834 14 HB2 ASP 3 HB2 ASP 3 5.381 2.154 0.108 15 HB3 ASP 3 HB3 ASP 3 7.020 1.799 -0.433 16 HA PRO 4 HA PRO 4 7.449 1.220 -5.074 17 HB2 PRO 4 HB2 PRO 4 9.987 0.435 -4.516 18 HB3 PRO 4 HB3 PRO 4 9.590 2.052 -5.109 19 HG2 PRO 4 HG2 PRO 4 10.131 1.140 -2.309 20 HG3 PRO 4 HG3 PRO 4 10.696 2.602 -3.138 21 HD2 PRO 4 HD2 PRO 4 8.617 2.623 -1.404 22 HD3 PRO 4 HD3 PRO 4 8.706 3.715 -2.801 23 H VAL 5 H VAL 5 5.802 -0.286 -4.117 24 HA VAL 5 HA VAL 5 7.000 -2.637 -2.831 25 HB VAL 5 HB VAL 5 4.759 -3.333 -2.263 26 HG11 VAL 5 HG11 VAL 5 5.706 -1.844 -0.680 27 HG12 VAL 5 HG12 VAL 5 5.337 -0.437 -1.679 28 HG13 VAL 5 HG13 VAL 5 4.032 -1.338 -0.906 29 HG21 VAL 5 HG21 VAL 5 2.849 -1.732 -2.812 30 HG22 VAL 5 HG22 VAL 5 3.929 -1.047 -4.027 31 HG23 VAL 5 HG23 VAL 5 3.455 -2.743 -4.125 32 H TYR 6 H TYR 6 6.642 -4.733 -3.645 33 HA TYR 6 HA TYR 6 6.711 -4.918 -6.485 34 HB2 TYR 6 HB2 TYR 6 6.554 -7.038 -4.337 35 HB3 TYR 6 HB3 TYR 6 6.746 -7.392 -6.050 36 HD1 TYR 6 HD1 TYR 6 8.871 -7.334 -7.061 37 HD2 TYR 6 HD2 TYR 6 8.351 -5.682 -3.175 38 HE1 TYR 6 HE1 TYR 6 11.309 -7.104 -6.840 39 HE2 TYR 6 HE2 TYR 6 10.788 -5.447 -2.943 40 HH TYR 6 HH TYR 6 12.983 -6.964 -4.974 41 H THR 7 H THR 7 4.839 -4.312 -7.462 42 HA THR 7 HA THR 7 2.242 -4.730 -6.637 43 HB THR 7 HB THR 7 2.590 -3.281 -8.484 44 HG1 THR 7 HG1 THR 7 0.641 -4.556 -8.570 45 HG21 THR 7 HG21 THR 7 4.325 -5.391 -9.404 46 HG22 THR 7 HG22 THR 7 4.248 -3.704 -9.914 47 HG23 THR 7 HG23 THR 7 3.209 -4.906 -10.680 48 H CYS 8 H CYS 8 0.985 -6.457 -6.404 49 HA CYS 8 HA CYS 8 1.950 -9.045 -7.318 50 HB2 CYS 8 HB2 CYS 8 -0.495 -8.407 -5.655 51 HB3 CYS 8 HB3 CYS 8 0.238 -9.991 -5.884 52 H ARG 9 H ARG 9 -0.333 -10.480 -7.677 53 HA ARG 9 HA ARG 9 -0.998 -9.951 -10.348 54 HB2 ARG 9 HB2 ARG 9 -2.010 -11.800 -8.241 55 HB3 ARG 9 HB3 ARG 9 -3.000 -11.570 -9.676 56 HG2 ARG 9 HG2 ARG 9 -1.405 -12.497 -11.083 57 HG3 ARG 9 HG3 ARG 9 -0.099 -12.248 -9.923 58 HD2 ARG 9 HD2 ARG 9 -2.354 -14.028 -9.153 59 HD3 ARG 9 HD3 ARG 9 -1.176 -14.630 -10.318 60 HE ARG 9 HE ARG 9 0.213 -13.552 -8.145 61 HH11 ARG 9 HH11 ARG 9 -1.907 -16.217 -8.872 62 HH12 ARG 9 HH12 ARG 9 -1.240 -17.250 -7.652 63 HH21 ARG 9 HH21 ARG 9 1.099 -14.903 -6.535 64 HH22 ARG 9 HH22 ARG 9 0.469 -16.501 -6.322 65 HA PRO 10 HA PRO 10 -4.332 -7.101 -10.254 66 HB2 PRO 10 HB2 PRO 10 -6.008 -8.092 -12.145 67 HB3 PRO 10 HB3 PRO 10 -4.465 -7.324 -12.537 68 HG2 PRO 10 HG2 PRO 10 -5.137 -10.235 -12.345 69 HG3 PRO 10 HG3 PRO 10 -4.160 -9.390 -13.560 70 HD2 PRO 10 HD2 PRO 10 -3.058 -10.786 -11.518 71 HD3 PRO 10 HD3 PRO 10 -2.295 -9.339 -12.207 72 H GLY 11 H GLY 11 -6.546 -6.770 -9.668 73 HA2 GLY 11 HA2 GLY 11 -8.633 -7.397 -8.816 74 HA3 GLY 11 HA3 GLY 11 -8.101 -9.072 -8.808 75 H GLN 12 H GLN 12 -5.829 -8.970 -7.293 76 HA GLN 12 HA GLN 12 -6.869 -8.926 -4.674 77 HB2 GLN 12 HB2 GLN 12 -4.324 -9.549 -5.958 78 HB3 GLN 12 HB3 GLN 12 -4.119 -8.819 -4.371 79 HG2 GLN 12 HG2 GLN 12 -5.953 -10.595 -3.706 80 HG3 GLN 12 HG3 GLN 12 -5.317 -11.426 -5.125 81 HE21 GLN 12 HE21 GLN 12 -2.662 -10.760 -4.988 82 HE22 GLN 12 HE22 GLN 12 -1.959 -11.465 -3.576 83 H THR 13 H THR 13 -6.327 -7.581 -2.900 84 HA THR 13 HA THR 13 -5.676 -4.824 -3.701 85 HB THR 13 HB THR 13 -7.894 -4.997 -2.745 86 HG1 THR 13 HG1 THR 13 -6.176 -3.312 -2.017 87 HG21 THR 13 HG21 THR 13 -7.661 -5.580 -0.089 88 HG22 THR 13 HG22 THR 13 -6.515 -6.713 -0.804 89 HG23 THR 13 HG23 THR 13 -8.199 -6.717 -1.324 90 H CYS 14 H CYS 14 -4.188 -3.621 -2.540 91 HA CYS 14 HA CYS 14 -2.139 -5.142 -1.213 92 HB2 CYS 14 HB2 CYS 14 -1.443 -3.362 -2.675 93 HB3 CYS 14 HB3 CYS 14 -2.428 -2.192 -1.802 94 H CYS 15 H CYS 15 -2.279 -5.697 0.851 95 HA CYS 15 HA CYS 15 -3.718 -3.927 2.707 96 HB2 CYS 15 HB2 CYS 15 -3.852 -5.916 4.184 97 HB3 CYS 15 HB3 CYS 15 -4.623 -6.176 2.623 98 H ARG 16 H ARG 16 -2.846 -3.758 4.914 99 HA ARG 16 HA ARG 16 0.097 -3.903 4.950 100 HB2 ARG 16 HB2 ARG 16 0.052 -1.850 6.367 101 HB3 ARG 16 HB3 ARG 16 -0.515 -1.590 4.723 102 HG2 ARG 16 HG2 ARG 16 -2.780 -1.498 5.427 103 HG3 ARG 16 HG3 ARG 16 -2.362 -2.061 7.046 104 HD2 ARG 16 HD2 ARG 16 -1.277 0.494 5.893 105 HD3 ARG 16 HD3 ARG 16 -2.805 0.428 6.769 106 HE ARG 16 HE ARG 16 -0.788 -0.781 8.313 107 HH11 ARG 16 HH11 ARG 16 -1.808 2.348 7.178 108 HH12 ARG 16 HH12 ARG 16 -1.128 3.202 8.524 109 HH21 ARG 16 HH21 ARG 16 0.112 0.331 10.089 110 HH22 ARG 16 HH22 ARG 16 -0.036 2.054 10.179 111 H GLY 17 H GLY 17 1.076 -4.544 6.850 112 HA2 GLY 17 HA2 GLY 17 -0.180 -4.755 9.354 113 HA3 GLY 17 HA3 GLY 17 -0.350 -6.293 8.522 114 H LEU 18 H LEU 18 2.202 -6.056 7.130 115 HA LEU 18 HA LEU 18 3.962 -6.656 9.410 116 HB2 LEU 18 HB2 LEU 18 5.299 -7.839 7.525 117 HB3 LEU 18 HB3 LEU 18 3.868 -8.608 8.208 118 HG LEU 18 HG LEU 18 3.394 -6.953 5.817 119 HD11 LEU 18 HD11 LEU 18 4.847 -9.583 5.585 120 HD12 LEU 18 HD12 LEU 18 5.568 -8.002 5.289 121 HD13 LEU 18 HD13 LEU 18 4.255 -8.578 4.262 122 HD21 LEU 18 HD21 LEU 18 2.005 -8.819 7.268 123 HD22 LEU 18 HD22 LEU 18 2.553 -9.747 5.871 124 HD23 LEU 18 HD23 LEU 18 1.603 -8.278 5.637 125 H HIS 19 H HIS 19 6.324 -6.269 8.974 126 HA HIS 19 HA HIS 19 6.904 -3.619 8.655 127 HB2 HIS 19 HB2 HIS 19 8.658 -6.010 8.070 128 HB3 HIS 19 HB3 HIS 19 9.259 -4.356 8.149 129 HD1 HIS 19 HD1 HIS 19 10.752 -4.914 10.182 130 HD2 HIS 19 HD2 HIS 19 6.695 -5.519 10.840 131 HE1 HIS 19 HE1 HIS 19 10.511 -5.207 12.667 132 H GLY 20 H GLY 20 6.619 -6.065 6.150 133 HA2 GLY 20 HA2 GLY 20 7.212 -4.000 4.126 134 HA3 GLY 20 HA3 GLY 20 7.391 -5.730 3.870 135 H TYR 21 H TYR 21 5.751 -3.467 2.594 136 HA TYR 21 HA TYR 21 3.044 -3.789 3.007 137 HB2 TYR 21 HB2 TYR 21 4.709 -2.983 0.674 138 HB3 TYR 21 HB3 TYR 21 3.014 -3.349 0.375 139 HD1 TYR 21 HD1 TYR 21 1.300 -2.142 1.933 140 HD2 TYR 21 HD2 TYR 21 5.310 -0.846 1.347 141 HE1 TYR 21 HE1 TYR 21 0.676 0.113 2.690 142 HE2 TYR 21 HE2 TYR 21 4.697 1.413 2.103 143 HH TYR 21 HH TYR 21 2.432 2.786 2.146 144 H GLY 22 H GLY 22 1.464 -5.163 2.271 145 HA2 GLY 22 HA2 GLY 22 2.371 -7.527 0.754 146 HA3 GLY 22 HA3 GLY 22 1.386 -7.701 2.199 147 H CYS 23 H CYS 23 0.482 -8.840 -0.066 148 HA CYS 23 HA CYS 23 -1.730 -7.064 -0.862 149 HB2 CYS 23 HB2 CYS 23 -1.732 -8.404 -3.035 150 HB3 CYS 23 HB3 CYS 23 -0.412 -7.260 -2.815 151 H CYS 24 H CYS 24 -3.536 -7.779 0.044 152 HA CYS 24 HA CYS 24 -3.863 -10.646 0.548 153 HB2 CYS 24 HB2 CYS 24 -5.433 -8.261 1.548 154 HB3 CYS 24 HB3 CYS 24 -5.781 -9.936 1.966 Start of MODEL 20 1 H1 CYS 1 H CYS 1 -0.465 2.944 1.128 2 HA CYS 1 HA CYS 1 1.209 1.611 0.337 3 HB2 CYS 1 HB2 CYS 1 -0.228 1.664 -2.323 4 HB3 CYS 1 HB3 CYS 1 0.990 0.505 -1.800 5 HA PRO 2 HA PRO 2 3.007 5.493 -1.469 6 HB2 PRO 2 HB2 PRO 2 4.956 5.738 0.404 7 HB3 PRO 2 HB3 PRO 2 3.331 6.400 0.616 8 HG2 PRO 2 HG2 PRO 2 4.495 3.858 1.686 9 HG3 PRO 2 HG3 PRO 2 3.468 5.050 2.504 10 HD2 PRO 2 HD2 PRO 2 2.496 2.726 1.511 11 HD3 PRO 2 HD3 PRO 2 1.536 4.219 1.561 12 H ASP 3 H ASP 3 4.472 2.529 -0.237 13 HA ASP 3 HA ASP 3 7.000 2.679 -1.326 14 HB2 ASP 3 HB2 ASP 3 6.708 0.098 -1.575 15 HB3 ASP 3 HB3 ASP 3 6.663 0.823 0.030 16 HA PRO 4 HA PRO 4 6.674 2.472 -5.694 17 HB2 PRO 4 HB2 PRO 4 8.774 0.881 -6.349 18 HB3 PRO 4 HB3 PRO 4 8.969 2.539 -5.767 19 HG2 PRO 4 HG2 PRO 4 9.222 -0.038 -4.264 20 HG3 PRO 4 HG3 PRO 4 10.252 1.404 -4.195 21 HD2 PRO 4 HD2 PRO 4 8.368 0.868 -2.325 22 HD3 PRO 4 HD3 PRO 4 8.806 2.524 -2.793 23 H VAL 5 H VAL 5 6.391 1.022 -7.556 24 HA VAL 5 HA VAL 5 4.482 -0.948 -7.128 25 HB VAL 5 HB VAL 5 4.717 0.103 -9.293 26 HG11 VAL 5 HG11 VAL 5 7.221 0.262 -9.181 27 HG12 VAL 5 HG12 VAL 5 7.280 -1.431 -9.674 28 HG13 VAL 5 HG13 VAL 5 6.572 -0.224 -10.747 29 HG21 VAL 5 HG21 VAL 5 5.319 -2.842 -9.532 30 HG22 VAL 5 HG22 VAL 5 3.734 -2.163 -9.161 31 HG23 VAL 5 HG23 VAL 5 4.492 -1.834 -10.719 32 H TYR 6 H TYR 6 4.601 -2.949 -6.372 33 HA TYR 6 HA TYR 6 7.175 -4.373 -6.562 34 HB2 TYR 6 HB2 TYR 6 5.167 -4.234 -4.332 35 HB3 TYR 6 HB3 TYR 6 6.247 -5.616 -4.478 36 HD1 TYR 6 HD1 TYR 6 5.873 -2.924 -2.566 37 HD2 TYR 6 HD2 TYR 6 8.779 -4.494 -5.247 38 HE1 TYR 6 HE1 TYR 6 7.629 -1.668 -1.388 39 HE2 TYR 6 HE2 TYR 6 10.544 -3.243 -4.076 40 HH TYR 6 HH TYR 6 10.703 -1.191 -2.644 41 H THR 7 H THR 7 7.156 -6.525 -7.131 42 HA THR 7 HA THR 7 5.239 -7.428 -8.910 43 HB THR 7 HB THR 7 7.353 -8.486 -8.982 44 HG1 THR 7 HG1 THR 7 5.346 -9.861 -9.174 45 HG21 THR 7 HG21 THR 7 8.502 -8.587 -7.061 46 HG22 THR 7 HG22 THR 7 7.647 -10.102 -6.764 47 HG23 THR 7 HG23 THR 7 7.031 -8.594 -6.088 48 H CYS 8 H CYS 8 3.235 -8.153 -8.673 49 HA CYS 8 HA CYS 8 2.492 -9.803 -6.420 50 HB2 CYS 8 HB2 CYS 8 1.617 -6.971 -6.685 51 HB3 CYS 8 HB3 CYS 8 0.406 -8.145 -6.179 52 H ARG 9 H ARG 9 0.000 -10.258 -6.597 53 HA ARG 9 HA ARG 9 -0.530 -10.823 -9.435 54 HB2 ARG 9 HB2 ARG 9 -1.285 -12.247 -6.897 55 HB3 ARG 9 HB3 ARG 9 -2.170 -12.529 -8.390 56 HG2 ARG 9 HG2 ARG 9 0.807 -12.865 -8.139 57 HG3 ARG 9 HG3 ARG 9 -0.353 -14.173 -7.896 58 HD2 ARG 9 HD2 ARG 9 -0.182 -12.524 -10.412 59 HD3 ARG 9 HD3 ARG 9 0.655 -14.060 -10.189 60 HE ARG 9 HE ARG 9 -2.076 -14.405 -9.622 61 HH11 ARG 9 HH11 ARG 9 0.058 -13.811 -12.308 62 HH12 ARG 9 HH12 ARG 9 -0.974 -14.583 -13.466 63 HH21 ARG 9 HH21 ARG 9 -3.442 -15.424 -11.138 64 HH22 ARG 9 HH22 ARG 9 -2.965 -15.499 -12.800 65 HA PRO 10 HA PRO 10 -4.134 -8.323 -9.491 66 HB2 PRO 10 HB2 PRO 10 -5.804 -9.783 -11.057 67 HB3 PRO 10 HB3 PRO 10 -4.392 -8.930 -11.692 68 HG2 PRO 10 HG2 PRO 10 -4.701 -11.824 -10.993 69 HG3 PRO 10 HG3 PRO 10 -3.914 -11.092 -12.404 70 HD2 PRO 10 HD2 PRO 10 -2.520 -12.008 -10.271 71 HD3 PRO 10 HD3 PRO 10 -1.982 -10.621 -11.239 72 H GLY 11 H GLY 11 -6.316 -8.128 -8.763 73 HA2 GLY 11 HA2 GLY 11 -8.254 -8.817 -7.648 74 HA3 GLY 11 HA3 GLY 11 -7.541 -10.410 -7.440 75 H GLN 12 H GLN 12 -5.199 -9.869 -6.156 76 HA GLN 12 HA GLN 12 -6.050 -9.508 -3.493 77 HB2 GLN 12 HB2 GLN 12 -3.289 -9.526 -4.716 78 HB3 GLN 12 HB3 GLN 12 -3.585 -9.475 -2.983 79 HG2 GLN 12 HG2 GLN 12 -4.590 -11.657 -4.792 80 HG3 GLN 12 HG3 GLN 12 -3.074 -11.735 -3.894 81 HE21 GLN 12 HE21 GLN 12 -6.561 -11.526 -3.598 82 HE22 GLN 12 HE22 GLN 12 -6.654 -12.175 -2.000 83 H THR 13 H THR 13 -6.309 -7.737 -2.303 84 HA THR 13 HA THR 13 -5.752 -5.148 -3.465 85 HB THR 13 HB THR 13 -7.869 -5.597 -2.231 86 HG1 THR 13 HG1 THR 13 -6.564 -3.453 -2.321 87 HG21 THR 13 HG21 THR 13 -6.330 -5.362 0.326 88 HG22 THR 13 HG22 THR 13 -6.559 -6.941 -0.425 89 HG23 THR 13 HG23 THR 13 -7.958 -5.981 0.054 90 H CYS 14 H CYS 14 -4.372 -3.587 -2.651 91 HA CYS 14 HA CYS 14 -2.060 -4.586 -1.262 92 HB2 CYS 14 HB2 CYS 14 -1.697 -3.025 -3.055 93 HB3 CYS 14 HB3 CYS 14 -2.778 -1.848 -2.318 94 H CYS 15 H CYS 15 -1.998 -4.776 0.870 95 HA CYS 15 HA CYS 15 -3.331 -2.715 2.503 96 HB2 CYS 15 HB2 CYS 15 -3.582 -4.525 4.243 97 HB3 CYS 15 HB3 CYS 15 -4.567 -4.736 2.800 98 H ARG 16 H ARG 16 -2.398 -2.677 4.797 99 HA ARG 16 HA ARG 16 0.535 -2.918 4.640 100 HB2 ARG 16 HB2 ARG 16 0.385 -1.001 6.422 101 HB3 ARG 16 HB3 ARG 16 0.261 -0.630 4.708 102 HG2 ARG 16 HG2 ARG 16 -1.407 0.596 5.940 103 HG3 ARG 16 HG3 ARG 16 -2.189 -0.605 4.910 104 HD2 ARG 16 HD2 ARG 16 -3.218 -0.552 7.116 105 HD3 ARG 16 HD3 ARG 16 -2.423 -2.099 6.831 106 HE ARG 16 HE ARG 16 -0.631 -0.387 8.143 107 HH11 ARG 16 HH11 ARG 16 -3.590 -2.123 8.735 108 HH12 ARG 16 HH12 ARG 16 -3.295 -2.308 10.432 109 HH21 ARG 16 HH21 ARG 16 -0.231 -0.624 10.376 110 HH22 ARG 16 HH22 ARG 16 -1.384 -1.454 11.365 111 H GLY 17 H GLY 17 -1.290 -4.936 5.601 112 HA2 GLY 17 HA2 GLY 17 -1.589 -4.978 8.378 113 HA3 GLY 17 HA3 GLY 17 -1.473 -6.403 7.356 114 H LEU 18 H LEU 18 0.822 -6.935 6.640 115 HA LEU 18 HA LEU 18 2.387 -7.469 8.891 116 HB2 LEU 18 HB2 LEU 18 3.393 -7.325 6.058 117 HB3 LEU 18 HB3 LEU 18 4.052 -8.282 7.382 118 HG LEU 18 HG LEU 18 1.351 -8.740 6.119 119 HD11 LEU 18 HD11 LEU 18 2.747 -9.377 4.415 120 HD12 LEU 18 HD12 LEU 18 2.663 -10.871 5.349 121 HD13 LEU 18 HD13 LEU 18 4.064 -9.811 5.506 122 HD21 LEU 18 HD21 LEU 18 2.455 -11.002 7.449 123 HD22 LEU 18 HD22 LEU 18 0.970 -10.122 7.811 124 HD23 LEU 18 HD23 LEU 18 2.492 -9.627 8.552 125 H HIS 19 H HIS 19 4.690 -6.793 9.185 126 HA HIS 19 HA HIS 19 4.918 -4.117 9.782 127 HB2 HIS 19 HB2 HIS 19 6.427 -6.003 10.544 128 HB3 HIS 19 HB3 HIS 19 7.263 -5.853 9.001 129 HD1 HIS 19 HD1 HIS 19 6.102 -3.023 11.241 130 HD2 HIS 19 HD2 HIS 19 9.609 -4.719 9.796 131 HE1 HIS 19 HE1 HIS 19 7.949 -1.489 11.990 132 H GLY 20 H GLY 20 5.649 -5.757 6.763 133 HA2 GLY 20 HA2 GLY 20 6.426 -3.161 5.592 134 HA3 GLY 20 HA3 GLY 20 6.931 -4.726 4.971 135 H TYR 21 H TYR 21 5.353 -2.328 3.884 136 HA TYR 21 HA TYR 21 2.714 -2.960 3.394 137 HB2 TYR 21 HB2 TYR 21 4.782 -1.388 1.944 138 HB3 TYR 21 HB3 TYR 21 3.313 -1.793 1.063 139 HD1 TYR 21 HD1 TYR 21 1.317 -0.599 1.430 140 HD2 TYR 21 HD2 TYR 21 4.573 -0.125 4.128 141 HE1 TYR 21 HE1 TYR 21 0.151 1.286 2.497 142 HE2 TYR 21 HE2 TYR 21 3.415 1.760 5.203 143 HH TYR 21 HH TYR 21 1.598 3.485 4.430 144 H GLY 22 H GLY 22 1.668 -4.453 2.236 145 HA2 GLY 22 HA2 GLY 22 3.004 -5.790 0.015 146 HA3 GLY 22 HA3 GLY 22 2.553 -6.806 1.377 147 H CYS 23 H CYS 23 1.477 -7.568 -0.883 148 HA CYS 23 HA CYS 23 -1.208 -6.377 -1.019 149 HB2 CYS 23 HB2 CYS 23 -1.400 -7.575 -3.192 150 HB3 CYS 23 HB3 CYS 23 -0.080 -6.410 -3.159 151 H CYS 24 H CYS 24 -2.907 -7.465 -0.271 152 HA CYS 24 HA CYS 24 -2.588 -10.344 0.274 153 HB2 CYS 24 HB2 CYS 24 -4.264 -9.938 2.144 154 HB3 CYS 24 HB3 CYS 24 -2.650 -9.282 2.393
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