NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
633934 | 6bvw | 30381 | 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 0.503 -3.028 2.146 2 HA CYS 1 HA CYS 1 1.652 -1.362 0.015 3 HB3 CYS 1 2HB CYS 1 2.284 0.201 1.761 4 H THR 2 H THR 2 3.882 -1.107 -0.187 5 HA THR 2 HA THR 2 5.448 -3.308 0.960 6 HB THR 2 HB THR 2 7.126 -2.700 -0.822 7 HG1 THR 2 1HG THR 2 6.535 -1.254 -2.384 8 HG21 THR 2 1HG2 THR 2 5.862 -4.577 -1.351 9 HG22 THR 2 2HG2 THR 2 5.560 -3.515 -2.727 10 HG23 THR 2 3HG2 THR 2 4.358 -3.659 -1.444 11 H ALA 3 H ALA 3 7.965 -2.506 0.870 12 HA ALA 3 HA ALA 3 8.052 -0.343 2.843 13 HB1 ALA 3 1HB ALA 3 9.208 -2.806 2.871 14 HB2 ALA 3 2HB ALA 3 10.535 -1.799 2.291 15 HB3 ALA 3 3HB ALA 3 9.751 -1.425 3.827 16 H SER 4 H SER 4 7.902 -0.118 -0.202 17 HA SER 4 HA SER 4 10.296 0.814 -1.263 18 HB3 SER 4 2HB SER 4 7.626 2.035 -1.947 19 HG SER 4 HG SER 4 9.159 1.264 -4.002 20 H ILE 5 H ILE 5 10.902 3.055 -1.777 21 HA ILE 5 HA ILE 5 10.106 4.953 0.329 22 HB ILE 5 HB ILE 5 12.274 4.162 0.967 23 HG13 ILE 5 2HG1 ILE 5 12.577 6.827 -0.432 24 HG21 ILE 5 1HG2 ILE 5 13.403 4.972 -1.692 25 HG22 ILE 5 2HG2 ILE 5 14.138 3.975 -0.438 26 HG23 ILE 5 3HG2 ILE 5 12.798 3.343 -1.395 27 HD11 ILE 5 1HD1 ILE 5 12.202 7.194 2.314 28 HD12 ILE 5 2HD1 ILE 5 11.121 7.663 1.001 29 HD13 ILE 5 3HD1 ILE 5 10.926 6.096 1.787 30 HA PRO 6 HA PRO 6 8.986 6.447 0.530 31 HB3 PRO 6 2HB PRO 6 7.953 8.421 -0.034 32 HG3 PRO 6 2HG PRO 6 7.608 9.001 -2.260 33 HD3 PRO 6 2HD PRO 6 9.847 8.455 -2.335 34 HA PRO 7 HA PRO 7 6.732 2.680 0.286 35 HB3 PRO 7 2HB PRO 7 6.324 2.878 2.538 36 HG3 PRO 7 2HG PRO 7 5.859 4.945 3.497 37 HD3 PRO 7 2HD PRO 7 7.761 5.477 2.310 38 H ILE 8 H ILE 8 4.984 1.659 -0.687 39 HA ILE 8 HA ILE 8 3.069 3.443 -2.046 40 HB ILE 8 HB ILE 8 3.187 2.233 -3.990 41 HG13 ILE 8 2HG1 ILE 8 2.590 0.068 -3.182 42 HG21 ILE 8 1HG2 ILE 8 5.931 1.568 -2.970 43 HG22 ILE 8 2HG2 ILE 8 5.443 2.017 -4.603 44 HG23 ILE 8 3HG2 ILE 8 5.434 3.223 -3.317 45 HD11 ILE 8 1HD1 ILE 8 4.456 0.313 -5.165 46 HD12 ILE 8 2HD1 ILE 8 5.192 -0.869 -4.082 47 HD13 ILE 8 3HD1 ILE 8 3.583 -1.161 -4.746 48 H CYS 9 H CYS 9 0.937 2.653 -2.374 49 HA CYS 9 HA CYS 9 0.173 0.274 -0.850 50 HB3 CYS 9 2HB CYS 9 -1.740 1.540 0.153 51 H HIS 10 H HIS 10 -0.734 -0.964 -2.357 52 HA HIS 10 HA HIS 10 -2.476 0.288 -4.365 53 HB3 HIS 10 2HB HIS 10 -0.582 -1.044 -5.232 54 HD1 HIS 10 1HD HIS 10 -2.764 -4.026 -4.808 55 HD2 HIS 10 2HD HIS 10 0.886 -2.621 -3.408 56 HE1 HIS 10 1HE HIS 10 -1.659 -6.001 -3.709 57 H DPN 11 H DPN 11 -3.322 -0.225 -1.643 58 HA DPN 11 HA DPN 11 -4.883 -2.574 -1.478 59 HB2 DPN 11 2HB DPN 11 -7.119 -1.198 -1.604 60 HB3 DPN 11 3HB DPN 11 -6.391 -1.845 -3.071 61 HD1 DPN 11 1HD DPN 11 -6.324 -0.441 -4.873 62 HD2 DPN 11 2HD DPN 11 -6.127 1.225 -0.961 63 HE1 DPN 11 1HE DPN 11 -6.268 1.820 -5.841 64 HE2 DPN 11 2HE DPN 11 -6.070 3.488 -1.924 65 HZ DPN 11 HZ DPN 11 -6.139 3.789 -4.367 66 HA MMO 12 HA NAR 12 -5.277 -0.721 2.455 67 HCB1 MMO 12 2HB NAR 12 -8.115 -1.526 1.869 68 HCB2 MMO 12 3HB NAR 12 -7.640 -0.964 3.466 69 HCG1 MMO 12 2HG NAR 12 -6.777 1.118 2.379 70 HCG2 MMO 12 3HG NAR 12 -7.506 0.554 0.875 71 HCD1 MMO 12 2HD NAR 12 -8.911 1.195 3.460 72 HCD2 MMO 12 3HD NAR 12 -9.024 2.075 1.938 73 HH21 MMO 12 1HH1 NAR 12 -10.878 2.227 3.273 74 HH22 MMO 12 2HH1 NAR 12 -12.557 1.808 3.185 75 HH11 MMO 12 1HH2 NAR 12 -12.028 -1.116 1.341 76 HC1 MMO 12 2HN NAR 12 -5.559 -3.727 -0.060 77 HC2 MMO 12 3HN NAR 12 -7.026 -2.858 -0.568 78 HC3 MMO 12 H NAR 12 -6.934 -3.572 1.060 79 HE MMO 12 HE NAR 12 -9.821 -0.553 1.463 80 HH12 MMO 12 2HH2 NAR 12 -13.211 -0.094 2.087 81 HA E9M 13 HA NTR 13 -3.765 -1.720 1.926 82 HD1 E9M 13 1HD NTR 13 -4.348 -2.280 6.113 83 HB3 E9M 13 3HB NTR 13 -2.494 -0.365 3.310 84 HB2 E9M 13 2HB NTR 13 -2.202 -1.653 4.477 85 HE3 E9M 13 3HE NTR 13 -3.842 1.655 2.886 86 HE1 E9M 13 1HE NTR 13 -6.169 -0.731 7.067 87 HZ3 E9M 13 3HZ NTR 13 -5.308 3.609 3.172 88 HZ2 E9M 13 2HZ NTR 13 -7.249 1.819 6.523 89 HH2 E9M 13 2HH NTR 13 -6.976 3.688 4.954 90 HN3 E9M 13 3HN NTR 13 -3.441 -3.921 4.904 91 HN1 E9M 13 H NTR 13 -3.910 -5.011 3.577 92 HN2 E9M 13 2HN NTR 13 -5.132 -4.456 4.746 93 H ARG 14 H ARG 14 -2.798 -3.062 0.492 94 HA ARG 14 HA ARG 14 -0.820 -4.993 1.393 95 HB3 ARG 14 2HB ARG 14 -0.702 -5.510 -1.101 96 HG3 ARG 14 2HG ARG 14 -3.545 -5.751 -0.269 97 HD3 ARG 14 2HD ARG 14 -2.765 -6.869 -2.289 98 HE ARG 14 HE ARG 14 -0.641 -7.693 -2.209 99 HH11 ARG 14 1HH1 ARG 14 -2.293 -8.589 0.721 100 HH12 ARG 14 2HH1 ARG 14 -0.996 -9.580 1.303 101 HH21 ARG 14 1HH2 ARG 14 1.073 -8.994 -1.453 102 HH22 ARG 14 2HH2 ARG 14 0.918 -9.808 0.067 Start of MODEL 2 1 H1 CYS 1 H CYS 1 1.105 -3.394 1.843 2 HA CYS 1 HA CYS 1 1.657 -1.320 -0.177 3 HB3 CYS 1 2HB CYS 1 2.753 -0.057 1.684 4 H THR 2 H THR 2 3.931 -0.734 -0.439 5 HA THR 2 HA THR 2 5.595 -3.118 -0.453 6 HB THR 2 HB THR 2 5.361 -1.495 -2.425 7 HG1 THR 2 1HG THR 2 7.249 -2.268 -3.084 8 HG21 THR 2 1HG2 THR 2 6.328 0.562 -2.389 9 HG22 THR 2 2HG2 THR 2 7.598 0.063 -1.270 10 HG23 THR 2 3HG2 THR 2 5.984 0.431 -0.665 11 H ALA 3 H ALA 3 8.122 -2.190 -0.273 12 HA ALA 3 HA ALA 3 8.273 -1.116 2.469 13 HB1 ALA 3 1HB ALA 3 8.983 -3.350 2.602 14 HB2 ALA 3 2HB ALA 3 9.920 -3.230 1.112 15 HB3 ALA 3 3HB ALA 3 10.468 -2.398 2.568 16 H SER 4 H SER 4 9.281 -0.794 -0.796 17 HA SER 4 HA SER 4 11.692 0.576 -0.541 18 HB3 SER 4 2HB SER 4 11.273 1.446 -2.769 19 HG SER 4 HG SER 4 10.073 -0.764 -3.458 20 H ILE 5 H ILE 5 11.756 3.011 -1.413 21 HA ILE 5 HA ILE 5 9.837 4.617 0.122 22 HB ILE 5 HB ILE 5 11.872 4.333 1.497 23 HG13 ILE 5 2HG1 ILE 5 10.994 6.982 0.445 24 HG21 ILE 5 1HG2 ILE 5 13.254 4.401 -0.814 25 HG22 ILE 5 2HG2 ILE 5 13.491 6.057 -0.259 26 HG23 ILE 5 3HG2 ILE 5 13.973 4.707 0.767 27 HD11 ILE 5 1HD1 ILE 5 9.803 7.102 2.313 28 HD12 ILE 5 2HD1 ILE 5 10.185 5.394 2.542 29 HD13 ILE 5 3HD1 ILE 5 11.176 6.631 3.316 30 HA PRO 6 HA PRO 6 9.062 6.503 0.346 31 HB3 PRO 6 2HB PRO 6 8.228 8.482 -0.467 32 HG3 PRO 6 2HG PRO 6 8.109 8.884 -2.755 33 HD3 PRO 6 2HD PRO 6 10.300 8.186 -2.587 34 HA PRO 7 HA PRO 7 6.677 2.810 0.176 35 HB3 PRO 7 2HB PRO 7 6.327 3.069 2.431 36 HG3 PRO 7 2HG PRO 7 6.011 5.176 3.362 37 HD3 PRO 7 2HD PRO 7 7.917 5.570 2.129 38 H ILE 8 H ILE 8 4.629 1.899 -0.462 39 HA ILE 8 HA ILE 8 2.759 3.750 -1.755 40 HB ILE 8 HB ILE 8 2.781 2.701 -3.830 41 HG13 ILE 8 2HG1 ILE 8 2.605 0.402 -3.162 42 HG21 ILE 8 1HG2 ILE 8 4.947 2.984 -4.629 43 HG22 ILE 8 2HG2 ILE 8 4.928 3.956 -3.158 44 HG23 ILE 8 3HG2 ILE 8 5.676 2.360 -3.149 45 HD11 ILE 8 1HD1 ILE 8 3.528 -0.463 -4.983 46 HD12 ILE 8 2HD1 ILE 8 4.197 1.141 -5.290 47 HD13 ILE 8 3HD1 ILE 8 5.158 -0.068 -4.439 48 H CYS 9 H CYS 9 0.656 2.891 -2.106 49 HA CYS 9 HA CYS 9 0.086 0.333 -0.781 50 HB3 CYS 9 2HB CYS 9 -1.955 1.414 0.234 51 H HIS 10 H HIS 10 -0.713 -0.892 -2.359 52 HA HIS 10 HA HIS 10 -2.491 0.325 -4.352 53 HB3 HIS 10 2HB HIS 10 -0.590 -0.878 -5.282 54 HD1 HIS 10 1HD HIS 10 1.198 -2.464 -4.698 55 HD2 HIS 10 2HD HIS 10 -2.521 -3.828 -3.450 56 HE1 HIS 10 1HE HIS 10 1.634 -4.675 -3.582 57 H DPN 11 H DPN 11 -3.281 -0.389 -1.596 58 HA DPN 11 HA DPN 11 -4.757 -2.754 -1.487 59 HB2 DPN 11 2HB DPN 11 -7.070 -1.528 -1.725 60 HB3 DPN 11 3HB DPN 11 -6.247 -2.153 -3.151 61 HD1 DPN 11 1HD DPN 11 -6.200 -0.779 -4.978 62 HD2 DPN 11 2HD DPN 11 -6.262 0.964 -1.096 63 HE1 DPN 11 1HE DPN 11 -6.250 1.462 -5.989 64 HE2 DPN 11 2HE DPN 11 -6.312 3.209 -2.102 65 HZ DPN 11 HZ DPN 11 -6.307 3.461 -4.551 66 HA MMO 12 HA NAR 12 -5.420 -0.861 2.389 67 HCB1 MMO 12 2HB NAR 12 -8.159 -1.760 1.600 68 HCB2 MMO 12 3HB NAR 12 -7.850 -1.369 3.287 69 HCG1 MMO 12 2HG NAR 12 -6.953 0.851 2.465 70 HCG2 MMO 12 3HG NAR 12 -7.644 0.434 0.896 71 HCD1 MMO 12 2HD NAR 12 -9.143 1.844 2.257 72 HCD2 MMO 12 3HD NAR 12 -9.849 0.278 1.862 73 HH21 MMO 12 1HH1 NAR 12 -11.467 1.162 2.767 74 HH22 MMO 12 2HH1 NAR 12 -12.442 1.045 4.194 75 HH11 MMO 12 1HH2 NAR 12 -9.796 0.103 6.275 76 HC1 MMO 12 2HN NAR 12 -6.911 -3.164 -0.654 77 HC2 MMO 12 3HN NAR 12 -6.838 -3.836 0.992 78 HC3 MMO 12 H NAR 12 -5.411 -3.923 -0.068 79 HE MMO 12 HE NAR 12 -8.522 0.259 4.390 80 HH12 MMO 12 2HH2 NAR 12 -11.490 0.445 6.190 81 HA E9M 13 HA NTR 13 -3.839 -1.771 1.935 82 HD1 E9M 13 1HD NTR 13 -4.608 -2.246 6.074 83 HB3 E9M 13 3HB NTR 13 -2.608 -0.378 3.344 84 HB2 E9M 13 2HB NTR 13 -2.379 -1.639 4.554 85 HE3 E9M 13 3HE NTR 13 -3.948 1.615 2.789 86 HE1 E9M 13 1HE NTR 13 -6.498 -0.695 6.881 87 HZ3 E9M 13 3HZ NTR 13 -5.446 3.561 2.939 88 HZ2 E9M 13 2HZ NTR 13 -7.567 1.831 6.213 89 HH2 E9M 13 2HH NTR 13 -7.219 3.665 4.615 90 HN3 E9M 13 3HN NTR 13 -5.094 -4.440 4.868 91 HN1 E9M 13 H NTR 13 -3.378 -3.964 4.851 92 HN2 E9M 13 2HN NTR 13 -3.999 -5.099 3.630 93 H ARG 14 H ARG 14 -2.787 -3.080 0.528 94 HA ARG 14 HA ARG 14 -0.632 -4.792 1.523 95 HB3 ARG 14 2HB ARG 14 -0.627 -5.517 -0.965 96 HG3 ARG 14 2HG ARG 14 -2.831 -6.815 -0.643 97 HD3 ARG 14 2HD ARG 14 -1.710 -8.080 1.352 98 HE ARG 14 HE ARG 14 -1.247 -8.226 -1.361 99 HH11 ARG 14 1HH1 ARG 14 0.544 -8.843 1.560 100 HH12 ARG 14 2HH1 ARG 14 1.522 -10.085 0.852 101 HH21 ARG 14 1HH2 ARG 14 0.036 -9.859 -2.304 102 HH22 ARG 14 2HH2 ARG 14 1.235 -10.661 -1.347 Start of MODEL 3 1 H1 CYS 1 H CYS 1 1.291 -3.083 1.521 2 HA CYS 1 HA CYS 1 1.795 -1.466 -0.871 3 HB3 CYS 1 2HB CYS 1 3.265 -0.145 0.461 4 H THR 2 H THR 2 4.110 -1.280 -1.555 5 HA THR 2 HA THR 2 5.261 -3.965 -1.722 6 HB THR 2 HB THR 2 4.811 -2.681 -3.822 7 HG1 THR 2 1HG THR 2 6.387 -4.308 -3.854 8 HG21 THR 2 1HG2 THR 2 5.785 -0.687 -4.314 9 HG22 THR 2 2HG2 THR 2 7.249 -1.056 -3.401 10 HG23 THR 2 3HG2 THR 2 5.793 -0.529 -2.557 11 H ALA 3 H ALA 3 5.537 -1.850 0.516 12 HA ALA 3 HA ALA 3 7.153 -1.023 1.906 13 HB1 ALA 3 1HB ALA 3 9.082 -2.646 2.241 14 HB2 ALA 3 2HB ALA 3 7.456 -3.273 2.517 15 HB3 ALA 3 3HB ALA 3 8.307 -3.651 1.018 16 H SER 4 H SER 4 7.351 0.598 -0.022 17 HA SER 4 HA SER 4 10.148 0.585 -0.952 18 HB3 SER 4 2HB SER 4 7.842 2.061 -2.236 19 HG SER 4 HG SER 4 9.700 1.548 -3.961 20 H ILE 5 H ILE 5 10.681 3.049 -1.617 21 HA ILE 5 HA ILE 5 9.820 4.833 0.543 22 HB ILE 5 HB ILE 5 12.714 4.296 -0.143 23 HG13 ILE 5 2HG1 ILE 5 12.888 3.477 2.153 24 HG21 ILE 5 1HG2 ILE 5 12.876 6.483 0.410 25 HG22 ILE 5 2HG2 ILE 5 11.359 6.483 1.307 26 HG23 ILE 5 3HG2 ILE 5 12.822 5.833 2.049 27 HD11 ILE 5 1HD1 ILE 5 10.210 2.996 2.856 28 HD12 ILE 5 2HD1 ILE 5 11.404 3.980 3.707 29 HD13 ILE 5 3HD1 ILE 5 10.349 4.718 2.503 30 HA PRO 6 HA PRO 6 8.718 6.349 0.636 31 HB3 PRO 6 2HB PRO 6 7.839 8.379 0.017 32 HG3 PRO 6 2HG PRO 6 7.836 9.059 -2.207 33 HD3 PRO 6 2HD PRO 6 10.044 8.433 -1.986 34 HA PRO 7 HA PRO 7 6.725 2.513 -0.257 35 HB3 PRO 7 2HB PRO 7 6.652 2.196 2.017 36 HG3 PRO 7 2HG PRO 7 6.338 3.985 3.469 37 HD3 PRO 7 2HD PRO 7 8.048 4.823 2.169 38 H ILE 8 H ILE 8 5.078 1.856 -1.517 39 HA ILE 8 HA ILE 8 2.836 3.727 -1.920 40 HB ILE 8 HB ILE 8 4.002 3.626 -3.963 41 HG13 ILE 8 2HG1 ILE 8 2.291 3.054 -5.363 42 HG21 ILE 8 1HG2 ILE 8 4.506 1.380 -5.041 43 HG22 ILE 8 2HG2 ILE 8 5.502 1.842 -3.663 44 HG23 ILE 8 3HG2 ILE 8 4.198 0.672 -3.455 45 HD11 ILE 8 1HD1 ILE 8 2.449 0.762 -5.618 46 HD12 ILE 8 2HD1 ILE 8 2.188 0.451 -3.902 47 HD13 ILE 8 3HD1 ILE 8 0.845 0.972 -4.918 48 H CYS 9 H CYS 9 0.794 3.011 -1.687 49 HA CYS 9 HA CYS 9 0.437 0.162 -1.027 50 HB3 CYS 9 2HB CYS 9 -1.569 0.913 0.255 51 H HIS 10 H HIS 10 -0.779 -1.027 -2.337 52 HA HIS 10 HA HIS 10 -2.481 0.361 -4.298 53 HB3 HIS 10 2HB HIS 10 -0.702 -0.912 -5.350 54 HD1 HIS 10 1HD HIS 10 -2.782 -3.791 -3.994 55 HD2 HIS 10 2HD HIS 10 1.180 -2.597 -4.371 56 HE1 HIS 10 1HE HIS 10 -1.413 -5.732 -3.167 57 H DPN 11 H DPN 11 -3.233 -0.346 -1.549 58 HA DPN 11 HA DPN 11 -4.818 -2.640 -1.416 59 HB2 DPN 11 2HB DPN 11 -7.076 -1.319 -1.584 60 HB3 DPN 11 3HB DPN 11 -6.313 -1.945 -3.041 61 HD1 DPN 11 1HD DPN 11 -6.236 -0.537 -4.842 62 HD2 DPN 11 2HD DPN 11 -6.174 1.128 -0.925 63 HE1 DPN 11 1HE DPN 11 -6.221 1.726 -5.808 64 HE2 DPN 11 2HE DPN 11 -6.158 3.394 -1.884 65 HZ DPN 11 HZ DPN 11 -6.180 3.695 -4.329 66 HA MMO 12 HA NAR 12 -5.288 -0.744 2.488 67 HCB1 MMO 12 2HB NAR 12 -8.102 -1.657 1.924 68 HCB2 MMO 12 3HB NAR 12 -7.637 -1.005 3.489 69 HCG1 MMO 12 2HG NAR 12 -7.058 1.100 2.518 70 HCG2 MMO 12 3HG NAR 12 -7.273 0.461 0.888 71 HCD1 MMO 12 2HD NAR 12 -9.478 0.598 2.934 72 HCD2 MMO 12 3HD NAR 12 -9.170 1.864 1.745 73 HH21 MMO 12 1HH1 NAR 12 -11.142 2.102 1.728 74 HH22 MMO 12 2HH1 NAR 12 -12.545 1.844 0.742 75 HH11 MMO 12 1HH2 NAR 12 -11.334 -1.095 -0.716 76 HC1 MMO 12 2HN NAR 12 -6.960 -2.960 -0.523 77 HC2 MMO 12 3HN NAR 12 -6.869 -3.648 1.116 78 HC3 MMO 12 H NAR 12 -5.479 -3.790 0.013 79 HE MMO 12 HE NAR 12 -9.494 -0.743 0.585 80 HH12 MMO 12 2HH2 NAR 12 -12.653 0.026 -0.647 81 HA E9M 13 HA NTR 13 -3.743 -1.704 1.988 82 HD1 E9M 13 1HD NTR 13 -4.349 -2.233 6.177 83 HB3 E9M 13 3HB NTR 13 -2.537 -0.290 3.367 84 HB2 E9M 13 2HB NTR 13 -2.210 -1.551 4.553 85 HE3 E9M 13 3HE NTR 13 -3.946 1.678 2.908 86 HE1 E9M 13 1HE NTR 13 -6.229 -0.736 7.097 87 HZ3 E9M 13 3HZ NTR 13 -5.479 3.586 3.159 88 HZ2 E9M 13 2HZ NTR 13 -7.389 1.771 6.515 89 HH2 E9M 13 2HH NTR 13 -7.164 3.630 4.924 90 HN3 E9M 13 3HN NTR 13 -3.798 -4.973 3.678 91 HN1 E9M 13 H NTR 13 -5.061 -4.451 4.820 92 HN2 E9M 13 2HN NTR 13 -3.393 -3.856 5.004 93 H ARG 14 H ARG 14 -2.593 -2.859 0.566 94 HA ARG 14 HA ARG 14 -0.377 -4.507 1.593 95 HB3 ARG 14 2HB ARG 14 -0.646 -5.502 -0.856 96 HG3 ARG 14 2HG ARG 14 -2.455 -6.205 1.443 97 HD3 ARG 14 2HD ARG 14 -1.812 -7.695 -1.094 98 HE ARG 14 HE ARG 14 -2.378 -8.830 1.414 99 HH11 ARG 14 1HH1 ARG 14 -3.399 -9.008 -1.910 100 HH12 ARG 14 2HH1 ARG 14 -3.896 -10.665 -1.804 101 HH21 ARG 14 1HH2 ARG 14 -3.030 -11.010 1.566 102 HH22 ARG 14 2HH2 ARG 14 -3.688 -11.803 0.173 Start of MODEL 4 1 H1 CYS 1 H CYS 1 1.376 -2.484 1.485 2 HA CYS 1 HA CYS 1 2.241 -1.035 -0.819 3 HB3 CYS 1 2HB CYS 1 4.350 -0.723 0.599 4 H THR 2 H THR 2 4.005 -1.425 -2.156 5 HA THR 2 HA THR 2 5.460 -3.928 -1.899 6 HB THR 2 HB THR 2 3.416 -4.507 -3.204 7 HG1 THR 2 1HG THR 2 4.951 -5.860 -3.822 8 HG21 THR 2 1HG2 THR 2 2.667 -3.161 -4.811 9 HG22 THR 2 2HG2 THR 2 4.167 -3.387 -5.711 10 HG23 THR 2 3HG2 THR 2 4.032 -2.077 -4.538 11 H ALA 3 H ALA 3 6.068 -1.049 -1.826 12 HA ALA 3 HA ALA 3 8.278 -1.104 -3.714 13 HB1 ALA 3 1HB ALA 3 5.926 0.494 -4.151 14 HB2 ALA 3 2HB ALA 3 7.346 1.521 -3.941 15 HB3 ALA 3 3HB ALA 3 7.339 0.269 -5.184 16 H SER 4 H SER 4 10.065 -0.039 -2.989 17 HA SER 4 HA SER 4 10.317 0.513 -0.261 18 HB3 SER 4 2HB SER 4 12.515 1.532 -0.886 19 HG SER 4 HG SER 4 11.972 -0.863 -2.307 20 H ILE 5 H ILE 5 11.048 2.615 0.679 21 HA ILE 5 HA ILE 5 9.084 4.543 0.557 22 HB ILE 5 HB ILE 5 10.708 4.398 2.389 23 HG13 ILE 5 2HG1 ILE 5 10.072 6.913 0.974 24 HG21 ILE 5 1HG2 ILE 5 12.704 5.812 0.654 25 HG22 ILE 5 2HG2 ILE 5 12.954 5.020 2.209 26 HG23 ILE 5 3HG2 ILE 5 12.659 4.053 0.763 27 HD11 ILE 5 1HD1 ILE 5 9.264 5.558 3.359 28 HD12 ILE 5 2HD1 ILE 5 9.799 7.193 3.745 29 HD13 ILE 5 3HD1 ILE 5 8.526 6.942 2.551 30 HA PRO 6 HA PRO 6 8.237 6.396 0.466 31 HB3 PRO 6 2HB PRO 6 7.584 8.302 -0.638 32 HG3 PRO 6 2HG PRO 6 8.015 8.581 -2.906 33 HD3 PRO 6 2HD PRO 6 10.113 7.966 -2.176 34 HA PRO 7 HA PRO 7 6.418 2.408 -0.212 35 HB3 PRO 7 2HB PRO 7 6.273 2.264 2.078 36 HG3 PRO 7 2HG PRO 7 5.922 4.159 3.377 37 HD3 PRO 7 2HD PRO 7 7.673 4.894 2.073 38 H ILE 8 H ILE 8 5.111 2.002 -1.875 39 HA ILE 8 HA ILE 8 2.732 3.680 -2.266 40 HB ILE 8 HB ILE 8 4.102 1.815 -4.208 41 HG13 ILE 8 2HG1 ILE 8 5.428 3.817 -3.718 42 HG21 ILE 8 1HG2 ILE 8 1.805 3.725 -4.625 43 HG22 ILE 8 2HG2 ILE 8 2.612 2.794 -5.885 44 HG23 ILE 8 3HG2 ILE 8 1.706 1.964 -4.620 45 HD11 ILE 8 1HD1 ILE 8 5.184 2.987 -6.115 46 HD12 ILE 8 2HD1 ILE 8 4.115 4.372 -6.350 47 HD13 ILE 8 3HD1 ILE 8 5.794 4.623 -5.871 48 H CYS 9 H CYS 9 0.926 2.867 -1.446 49 HA CYS 9 HA CYS 9 0.587 -0.042 -1.311 50 HB3 CYS 9 2HB CYS 9 -1.380 0.571 0.174 51 H HIS 10 H HIS 10 -0.873 -1.098 -2.511 52 HA HIS 10 HA HIS 10 -2.620 0.511 -4.249 53 HB3 HIS 10 2HB HIS 10 -1.016 -0.806 -5.507 54 HD1 HIS 10 1HD HIS 10 -3.118 -3.811 -4.836 55 HD2 HIS 10 2HD HIS 10 0.747 -2.477 -4.092 56 HE1 HIS 10 1HE HIS 10 -1.845 -5.836 -4.057 57 H DPN 11 H DPN 11 -3.208 -0.315 -1.493 58 HA DPN 11 HA DPN 11 -4.929 -2.507 -1.358 59 HB2 DPN 11 2HB DPN 11 -7.099 -1.017 -1.281 60 HB3 DPN 11 3HB DPN 11 -6.505 -1.649 -2.812 61 HD1 DPN 11 1HD DPN 11 -6.503 -0.186 -4.568 62 HD2 DPN 11 2HD DPN 11 -5.921 1.328 -0.632 63 HE1 DPN 11 1HE DPN 11 -6.391 2.102 -5.468 64 HE2 DPN 11 2HE DPN 11 -5.807 3.617 -1.526 65 HZ DPN 11 HZ DPN 11 -6.044 4.007 -3.946 66 HA MMO 12 HA NAR 12 -5.055 -0.735 2.644 67 HCB1 MMO 12 2HB NAR 12 -7.887 -1.731 2.354 68 HCB2 MMO 12 3HB NAR 12 -7.274 -1.042 3.851 69 HCG1 MMO 12 2HG NAR 12 -6.948 1.073 2.856 70 HCG2 MMO 12 3HG NAR 12 -7.180 0.424 1.232 71 HCD1 MMO 12 2HD NAR 12 -9.282 0.567 3.390 72 HCD2 MMO 12 3HD NAR 12 -9.147 1.661 2.014 73 HH21 MMO 12 1HH1 NAR 12 -11.286 1.170 2.942 74 HH22 MMO 12 2HH1 NAR 12 -12.776 0.486 2.382 75 HH11 MMO 12 1HH2 NAR 12 -11.249 -1.795 0.217 76 HC1 MMO 12 2HN NAR 12 -6.856 -3.524 1.266 77 HC2 MMO 12 3HN NAR 12 -5.561 -3.688 0.057 78 HC3 MMO 12 H NAR 12 -7.017 -2.740 -0.324 79 HE MMO 12 HE NAR 12 -9.294 -0.886 0.962 80 HH12 MMO 12 2HH2 NAR 12 -12.753 -1.201 0.833 81 HA E9M 13 HA NTR 13 -3.524 -1.593 2.018 82 HD1 E9M 13 1HD NTR 13 -3.873 -2.333 6.193 83 HB3 E9M 13 3HB NTR 13 -2.321 -0.169 3.387 84 HB2 E9M 13 2HB NTR 13 -1.856 -1.455 4.496 85 HE3 E9M 13 3HE NTR 13 -3.832 1.751 3.119 86 HE1 E9M 13 1HE NTR 13 -5.766 -0.978 7.290 87 HZ3 E9M 13 3HZ NTR 13 -5.435 3.568 3.550 88 HZ2 E9M 13 2HZ NTR 13 -7.070 1.495 6.903 89 HH2 E9M 13 2HH NTR 13 -7.020 3.440 5.404 90 HN3 E9M 13 3HN NTR 13 -2.861 -3.868 4.869 91 HN1 E9M 13 H NTR 13 -3.369 -4.944 3.546 92 HN2 E9M 13 2HN NTR 13 -4.524 -4.499 4.823 93 H ARG 14 H ARG 14 -2.382 -2.604 0.489 94 HA ARG 14 HA ARG 14 -0.090 -4.258 1.319 95 HB3 ARG 14 2HB ARG 14 -0.269 -5.256 -0.974 96 HG3 ARG 14 2HG ARG 14 -2.497 -6.424 -0.594 97 HD3 ARG 14 2HD ARG 14 -0.103 -6.986 0.354 98 HE ARG 14 HE ARG 14 -1.120 -5.660 2.567 99 HH11 ARG 14 1HH1 ARG 14 0.225 -8.780 1.814 100 HH12 ARG 14 2HH1 ARG 14 0.882 -9.026 3.398 101 HH21 ARG 14 1HH2 ARG 14 -0.259 -5.970 4.657 102 HH22 ARG 14 2HH2 ARG 14 0.605 -7.426 5.015 Start of MODEL 5 1 H1 CYS 1 H CYS 1 0.096 -3.264 2.288 2 HA CYS 1 HA CYS 1 0.945 -1.337 0.368 3 HB3 CYS 1 2HB CYS 1 2.544 -0.644 2.176 4 H THR 2 H THR 2 3.241 -0.932 -0.162 5 HA THR 2 HA THR 2 4.618 -3.473 -0.722 6 HB THR 2 HB THR 2 5.611 -2.477 -2.636 7 HG1 THR 2 1HG THR 2 6.153 -0.440 -2.243 8 HG21 THR 2 1HG2 THR 2 2.729 -1.602 -2.426 9 HG22 THR 2 2HG2 THR 2 3.325 -3.147 -3.030 10 HG23 THR 2 3HG2 THR 2 3.650 -1.666 -3.928 11 H ALA 3 H ALA 3 7.095 -2.402 -1.438 12 HA ALA 3 HA ALA 3 8.056 -1.178 1.062 13 HB1 ALA 3 1HB ALA 3 9.737 -3.207 -0.339 14 HB2 ALA 3 2HB ALA 3 9.739 -2.719 1.356 15 HB3 ALA 3 3HB ALA 3 8.442 -3.741 0.733 16 H SER 4 H SER 4 7.721 0.658 -0.607 17 HA SER 4 HA SER 4 10.192 0.971 -2.183 18 HB3 SER 4 2HB SER 4 7.830 2.697 -2.742 19 HG SER 4 HG SER 4 9.373 1.305 -4.626 20 H ILE 5 H ILE 5 10.813 3.329 -2.477 21 HA ILE 5 HA ILE 5 10.324 4.842 0.001 22 HB ILE 5 HB ILE 5 12.531 3.884 0.185 23 HG13 ILE 5 2HG1 ILE 5 11.992 6.691 0.115 24 HG21 ILE 5 1HG2 ILE 5 13.906 3.561 -1.534 25 HG22 ILE 5 2HG2 ILE 5 12.600 4.123 -2.577 26 HG23 ILE 5 3HG2 ILE 5 13.824 5.257 -2.008 27 HD11 ILE 5 1HD1 ILE 5 13.721 4.869 1.688 28 HD12 ILE 5 2HD1 ILE 5 14.040 6.603 1.769 29 HD13 ILE 5 3HD1 ILE 5 12.456 5.975 2.220 30 HA PRO 6 HA PRO 6 9.342 6.324 0.617 31 HB3 PRO 6 2HB PRO 6 8.348 8.395 0.546 32 HG3 PRO 6 2HG PRO 6 7.739 9.362 -1.478 33 HD3 PRO 6 2HD PRO 6 9.916 8.773 -1.960 34 HA PRO 7 HA PRO 7 6.876 2.724 0.068 35 HB3 PRO 7 2HB PRO 7 6.779 2.542 2.355 36 HG3 PRO 7 2HG PRO 7 6.555 4.427 3.700 37 HD3 PRO 7 2HD PRO 7 8.309 5.099 2.365 38 H ILE 8 H ILE 8 5.130 2.028 -1.061 39 HA ILE 8 HA ILE 8 2.883 3.889 -1.433 40 HB ILE 8 HB ILE 8 4.065 4.199 -3.437 41 HG13 ILE 8 2HG1 ILE 8 2.441 3.673 -4.953 42 HG21 ILE 8 1HG2 ILE 8 5.719 2.491 -3.272 43 HG22 ILE 8 2HG2 ILE 8 4.508 1.221 -3.441 44 HG23 ILE 8 3HG2 ILE 8 4.883 2.269 -4.809 45 HD11 ILE 8 1HD1 ILE 8 1.221 1.409 -4.871 46 HD12 ILE 8 2HD1 ILE 8 2.852 1.476 -5.540 47 HD13 ILE 8 3HD1 ILE 8 2.595 0.882 -3.900 48 H CYS 9 H CYS 9 0.906 2.987 -1.355 49 HA CYS 9 HA CYS 9 0.780 0.065 -1.040 50 HB3 CYS 9 2HB CYS 9 -1.452 0.565 0.048 51 H HIS 10 H HIS 10 -1.027 -1.077 -1.955 52 HA HIS 10 HA HIS 10 -2.283 0.284 -4.241 53 HB3 HIS 10 2HB HIS 10 -0.496 -1.061 -5.151 54 HD1 HIS 10 1HD HIS 10 1.207 -2.691 -4.446 55 HD2 HIS 10 2HD HIS 10 -2.617 -3.910 -3.374 56 HE1 HIS 10 1HE HIS 10 1.504 -4.916 -3.314 57 H DPN 11 H DPN 11 -3.228 -0.388 -1.517 58 HA DPN 11 HA DPN 11 -4.932 -2.607 -1.520 59 HB2 DPN 11 2HB DPN 11 -7.102 -1.148 -1.766 60 HB3 DPN 11 3HB DPN 11 -6.307 -1.799 -3.194 61 HD1 DPN 11 1HD DPN 11 -6.068 -0.371 -4.965 62 HD2 DPN 11 2HD DPN 11 -6.072 1.228 -1.020 63 HE1 DPN 11 1HE DPN 11 -5.867 1.901 -5.888 64 HE2 DPN 11 2HE DPN 11 -5.870 3.502 -1.937 65 HZ DPN 11 HZ DPN 11 -5.769 3.841 -4.374 66 HA MMO 12 HA NAR 12 -5.502 -0.782 2.405 67 HCB1 MMO 12 2HB NAR 12 -8.325 -1.498 1.649 68 HCB2 MMO 12 3HB NAR 12 -7.923 -0.949 3.270 69 HCG1 MMO 12 2HG NAR 12 -6.985 1.120 2.291 70 HCG2 MMO 12 3HG NAR 12 -7.528 0.571 0.703 71 HCD1 MMO 12 2HD NAR 12 -9.807 0.672 1.353 72 HCD2 MMO 12 3HD NAR 12 -9.382 0.887 3.051 73 HH21 MMO 12 1HH1 NAR 12 -11.446 1.731 2.291 74 HH22 MMO 12 2HH1 NAR 12 -12.230 3.275 2.207 75 HH11 MMO 12 1HH2 NAR 12 -9.289 5.056 1.569 76 HC1 MMO 12 2HN NAR 12 -5.732 -3.750 -0.159 77 HC2 MMO 12 3HN NAR 12 -7.134 -2.824 -0.748 78 HC3 MMO 12 H NAR 12 -7.169 -3.558 0.873 79 HE MMO 12 HE NAR 12 -8.268 3.017 1.680 80 HH12 MMO 12 2HH2 NAR 12 -11.001 5.165 1.796 81 HA E9M 13 HA NTR 13 -3.993 -1.819 1.960 82 HD1 E9M 13 1HD NTR 13 -4.851 -2.403 6.098 83 HB3 E9M 13 3HB NTR 13 -2.763 -0.526 3.439 84 HB2 E9M 13 2HB NTR 13 -2.592 -1.836 4.605 85 HE3 E9M 13 3HE NTR 13 -4.019 1.539 2.950 86 HE1 E9M 13 1HE NTR 13 -6.678 -0.803 6.952 87 HZ3 E9M 13 3HZ NTR 13 -5.436 3.539 3.164 88 HZ2 E9M 13 2HZ NTR 13 -7.639 1.786 6.370 89 HH2 E9M 13 2HH NTR 13 -7.208 3.657 4.839 90 HN3 E9M 13 3HN NTR 13 -4.519 -5.165 3.538 91 HN1 E9M 13 H NTR 13 -5.555 -4.438 4.788 92 HN2 E9M 13 2HN NTR 13 -3.801 -4.135 4.800 93 H ARG 14 H ARG 14 -3.196 -3.458 0.630 94 HA ARG 14 HA ARG 14 -1.226 -5.318 1.631 95 HB3 ARG 14 2HB ARG 14 -1.072 -5.848 -0.908 96 HG3 ARG 14 2HG ARG 14 -3.546 -6.306 0.725 97 HD3 ARG 14 2HD ARG 14 -2.840 -7.618 -1.895 98 HE ARG 14 HE ARG 14 -4.535 -8.521 0.083 99 HH11 ARG 14 1HH1 ARG 14 -4.789 -7.639 -3.276 100 HH12 ARG 14 2HH1 ARG 14 -6.091 -8.735 -3.599 101 HH21 ARG 14 1HH2 ARG 14 -6.248 -9.967 -0.332 102 HH22 ARG 14 2HH2 ARG 14 -6.920 -10.059 -1.924 Start of MODEL 6 1 H1 CYS 1 H CYS 1 1.329 -2.184 1.610 2 HA CYS 1 HA CYS 1 2.281 -0.936 -0.704 3 HB3 CYS 1 2HB CYS 1 4.336 -0.473 0.673 4 H THR 2 H THR 2 3.947 -1.361 -2.107 5 HA THR 2 HA THR 2 5.564 -3.745 -1.783 6 HB THR 2 HB THR 2 3.536 -4.634 -2.856 7 HG1 THR 2 1HG THR 2 4.753 -5.310 -4.892 8 HG21 THR 2 1HG2 THR 2 2.439 -3.474 -4.410 9 HG22 THR 2 2HG2 THR 2 3.842 -3.558 -5.477 10 HG23 THR 2 3HG2 THR 2 3.675 -2.218 -4.340 11 H ALA 3 H ALA 3 5.945 -0.828 -2.004 12 HA ALA 3 HA ALA 3 7.912 -0.889 -4.175 13 HB1 ALA 3 1HB ALA 3 6.154 0.255 -5.241 14 HB2 ALA 3 2HB ALA 3 5.786 1.202 -3.799 15 HB3 ALA 3 3HB ALA 3 7.269 1.511 -4.702 16 H SER 4 H SER 4 9.813 0.082 -3.693 17 HA SER 4 HA SER 4 10.583 0.531 -1.086 18 HB3 SER 4 2HB SER 4 12.555 1.726 -2.048 19 HG SER 4 HG SER 4 13.211 -0.051 -3.365 20 H ILE 5 H ILE 5 11.267 2.522 -0.016 21 HA ILE 5 HA ILE 5 9.246 4.360 0.322 22 HB ILE 5 HB ILE 5 12.176 4.956 0.734 23 HG13 ILE 5 2HG1 ILE 5 11.787 4.109 3.048 24 HG21 ILE 5 1HG2 ILE 5 11.481 6.566 2.324 25 HG22 ILE 5 2HG2 ILE 5 10.503 6.837 0.884 26 HG23 ILE 5 3HG2 ILE 5 9.812 6.001 2.274 27 HD11 ILE 5 1HD1 ILE 5 9.376 4.243 3.193 28 HD12 ILE 5 2HD1 ILE 5 9.215 3.044 1.909 29 HD13 ILE 5 3HD1 ILE 5 9.922 2.587 3.459 30 HA PRO 6 HA PRO 6 8.414 6.232 0.613 31 HB3 PRO 6 2HB PRO 6 7.608 8.244 -0.149 32 HG3 PRO 6 2HG PRO 6 7.686 8.792 -2.407 33 HD3 PRO 6 2HD PRO 6 9.868 8.126 -2.083 34 HA PRO 7 HA PRO 7 6.368 2.389 -0.134 35 HB3 PRO 7 2HB PRO 7 6.278 2.170 2.151 36 HG3 PRO 7 2HG PRO 7 5.996 4.025 3.524 37 HD3 PRO 7 2HD PRO 7 7.729 4.772 2.199 38 H ILE 8 H ILE 8 4.941 1.964 -1.687 39 HA ILE 8 HA ILE 8 2.577 3.703 -1.947 40 HB ILE 8 HB ILE 8 3.953 2.036 -4.058 41 HG13 ILE 8 2HG1 ILE 8 4.206 4.817 -3.169 42 HG21 ILE 8 1HG2 ILE 8 2.359 3.292 -5.585 43 HG22 ILE 8 2HG2 ILE 8 1.664 2.009 -4.596 44 HG23 ILE 8 3HG2 ILE 8 1.450 3.695 -4.129 45 HD11 ILE 8 1HD1 ILE 8 6.089 3.193 -3.440 46 HD12 ILE 8 2HD1 ILE 8 5.856 3.322 -5.183 47 HD13 ILE 8 3HD1 ILE 8 6.311 4.745 -4.246 48 H CYS 9 H CYS 9 0.820 2.789 -1.120 49 HA CYS 9 HA CYS 9 0.539 -0.122 -1.165 50 HB3 CYS 9 2HB CYS 9 -1.469 0.388 0.320 51 H HIS 10 H HIS 10 -0.636 -1.083 -2.673 52 HA HIS 10 HA HIS 10 -2.440 0.522 -4.318 53 HB3 HIS 10 2HB HIS 10 -0.651 -1.044 -5.278 54 HD1 HIS 10 1HD HIS 10 -1.399 -2.787 -2.699 55 HD2 HIS 10 2HD HIS 10 -2.021 -3.827 -6.673 56 HE1 HIS 10 1HE HIS 10 -1.518 -5.299 -2.726 57 H DPN 11 H DPN 11 -3.091 -0.362 -1.563 58 HA DPN 11 HA DPN 11 -4.870 -2.494 -1.490 59 HB2 DPN 11 2HB DPN 11 -7.019 -0.982 -1.479 60 HB3 DPN 11 3HB DPN 11 -6.378 -1.597 -2.999 61 HD1 DPN 11 1HD DPN 11 -6.299 -0.111 -4.733 62 HD2 DPN 11 2HD DPN 11 -5.841 1.342 -0.758 63 HE1 DPN 11 1HE DPN 11 -6.133 2.187 -5.596 64 HE2 DPN 11 2HE DPN 11 -5.673 3.642 -1.614 65 HZ DPN 11 HZ DPN 11 -5.821 4.067 -4.036 66 HA MMO 12 HA NAR 12 -5.095 -0.717 2.506 67 HCB1 MMO 12 2HB NAR 12 -7.926 -1.703 2.154 68 HCB2 MMO 12 3HB NAR 12 -7.341 -0.989 3.650 69 HCG1 MMO 12 2HG NAR 12 -6.769 1.066 2.397 70 HCG2 MMO 12 3HG NAR 12 -7.487 0.343 0.956 71 HCD1 MMO 12 2HD NAR 12 -8.934 0.834 3.557 72 HCD2 MMO 12 3HD NAR 12 -9.022 1.878 2.140 73 HH21 MMO 12 1HH1 NAR 12 -10.792 1.304 3.935 74 HH22 MMO 12 2HH1 NAR 12 -12.408 0.680 3.906 75 HH11 MMO 12 1HH2 NAR 12 -11.888 -1.341 1.101 76 HC1 MMO 12 2HN NAR 12 -7.005 -2.687 -0.516 77 HC2 MMO 12 3HN NAR 12 -6.893 -3.480 1.074 78 HC3 MMO 12 H NAR 12 -5.573 -3.663 -0.106 79 HE MMO 12 HE NAR 12 -9.762 -0.512 1.149 80 HH12 MMO 12 2HH2 NAR 12 -13.030 -0.825 2.295 81 HA E9M 13 HA NTR 13 -3.534 -1.573 1.956 82 HD1 E9M 13 1HD NTR 13 -4.126 -2.339 6.084 83 HB3 E9M 13 3HB NTR 13 -2.483 -0.099 3.384 84 HB2 E9M 13 2HB NTR 13 -2.023 -1.362 4.524 85 HE3 E9M 13 3HE NTR 13 -3.994 1.802 3.090 86 HE1 E9M 13 1HE NTR 13 -6.104 -1.039 7.096 87 HZ3 E9M 13 3HZ NTR 13 -5.654 3.581 3.462 88 HZ2 E9M 13 2HZ NTR 13 -7.433 1.415 6.679 89 HH2 E9M 13 2HH NTR 13 -7.338 3.389 5.219 90 HN3 E9M 13 3HN NTR 13 -3.383 -4.887 3.489 91 HN1 E9M 13 H NTR 13 -4.680 -4.522 4.651 92 HN2 E9M 13 2HN NTR 13 -3.056 -3.830 4.883 93 H ARG 14 H ARG 14 -2.290 -2.611 0.524 94 HA ARG 14 HA ARG 14 0.012 -4.142 1.541 95 HB3 ARG 14 2HB ARG 14 -0.379 -4.773 -1.171 96 HG3 ARG 14 2HG ARG 14 -1.584 -6.586 0.813 97 HD3 ARG 14 2HD ARG 14 0.648 -7.693 -0.481 98 HE ARG 14 HE ARG 14 -1.908 -8.194 -1.689 99 HH11 ARG 14 1HH1 ARG 14 0.103 -8.779 1.091 100 HH12 ARG 14 2HH1 ARG 14 -0.701 -10.249 1.527 101 HH21 ARG 14 1HH2 ARG 14 -2.977 -10.129 -1.125 102 HH22 ARG 14 2HH2 ARG 14 -2.453 -11.016 0.265 Start of MODEL 7 1 H1 CYS 1 H CYS 1 0.222 -3.466 2.242 2 HA CYS 1 HA CYS 1 1.051 -1.431 0.369 3 HB3 CYS 1 2HB CYS 1 2.544 -0.705 2.237 4 H THR 2 H THR 2 3.297 -1.054 -0.190 5 HA THR 2 HA THR 2 4.758 -3.586 -0.550 6 HB THR 2 HB THR 2 5.822 -2.600 -2.491 7 HG1 THR 2 1HG THR 2 5.904 -0.428 -1.854 8 HG21 THR 2 1HG2 THR 2 2.829 -2.424 -2.358 9 HG22 THR 2 2HG2 THR 2 3.836 -3.656 -3.119 10 HG23 THR 2 3HG2 THR 2 3.696 -2.058 -3.849 11 H ALA 3 H ALA 3 7.220 -2.607 -1.272 12 HA ALA 3 HA ALA 3 8.113 -1.165 1.139 13 HB1 ALA 3 1HB ALA 3 9.996 -2.559 1.352 14 HB2 ALA 3 2HB ALA 3 8.639 -3.650 1.068 15 HB3 ALA 3 3HB ALA 3 9.754 -3.268 -0.243 16 H SER 4 H SER 4 7.748 0.651 -0.475 17 HA SER 4 HA SER 4 10.140 0.991 -2.164 18 HB3 SER 4 2HB SER 4 8.897 2.170 -3.736 19 HG SER 4 HG SER 4 7.768 0.477 -4.214 20 H ILE 5 H ILE 5 10.768 3.327 -2.459 21 HA ILE 5 HA ILE 5 10.335 4.859 0.019 22 HB ILE 5 HB ILE 5 12.529 3.935 0.224 23 HG13 ILE 5 2HG1 ILE 5 12.782 6.775 -0.791 24 HG21 ILE 5 1HG2 ILE 5 14.004 4.984 -1.920 25 HG22 ILE 5 2HG2 ILE 5 13.639 3.293 -1.587 26 HG23 ILE 5 3HG2 ILE 5 12.572 4.236 -2.627 27 HD11 ILE 5 1HD1 ILE 5 11.257 7.122 0.854 28 HD12 ILE 5 2HD1 ILE 5 11.727 5.677 1.752 29 HD13 ILE 5 3HD1 ILE 5 12.733 7.125 1.818 30 HA PRO 6 HA PRO 6 9.334 6.329 0.622 31 HB3 PRO 6 2HB PRO 6 8.333 8.395 0.543 32 HG3 PRO 6 2HG PRO 6 7.717 9.353 -1.484 33 HD3 PRO 6 2HD PRO 6 9.894 8.771 -1.966 34 HA PRO 7 HA PRO 7 6.867 2.728 0.101 35 HB3 PRO 7 2HB PRO 7 6.737 2.579 2.390 36 HG3 PRO 7 2HG PRO 7 6.492 4.483 3.703 37 HD3 PRO 7 2HD PRO 7 8.264 5.138 2.383 38 H ILE 8 H ILE 8 5.104 1.992 -0.995 39 HA ILE 8 HA ILE 8 2.874 3.854 -1.443 40 HB ILE 8 HB ILE 8 4.030 4.138 -3.449 41 HG13 ILE 8 2HG1 ILE 8 2.462 3.490 -4.976 42 HG21 ILE 8 1HG2 ILE 8 4.959 2.209 -4.751 43 HG22 ILE 8 2HG2 ILE 8 5.761 2.521 -3.214 44 HG23 ILE 8 3HG2 ILE 8 4.616 1.187 -3.355 45 HD11 ILE 8 1HD1 ILE 8 2.732 0.746 -3.833 46 HD12 ILE 8 2HD1 ILE 8 1.340 1.175 -4.828 47 HD13 ILE 8 3HD1 ILE 8 2.969 1.298 -5.490 48 H CYS 9 H CYS 9 0.892 2.952 -1.393 49 HA CYS 9 HA CYS 9 0.762 0.030 -1.061 50 HB3 CYS 9 2HB CYS 9 -1.458 0.545 0.065 51 H HIS 10 H HIS 10 -0.959 -1.128 -2.030 52 HA HIS 10 HA HIS 10 -2.287 0.278 -4.252 53 HB3 HIS 10 2HB HIS 10 -0.429 -1.152 -5.063 54 HD1 HIS 10 1HD HIS 10 -2.943 -3.911 -4.677 55 HD2 HIS 10 2HD HIS 10 0.911 -2.968 -3.447 56 HE1 HIS 10 1HE HIS 10 -2.026 -6.022 -3.662 57 H DPN 11 H DPN 11 -3.198 -0.411 -1.520 58 HA DPN 11 HA DPN 11 -4.911 -2.615 -1.496 59 HB2 DPN 11 2HB DPN 11 -7.082 -1.153 -1.745 60 HB3 DPN 11 3HB DPN 11 -6.298 -1.829 -3.169 61 HD1 DPN 11 1HD DPN 11 -6.081 -0.431 -4.964 62 HD2 DPN 11 2HD DPN 11 -6.030 1.231 -1.046 63 HE1 DPN 11 1HE DPN 11 -5.881 1.824 -5.926 64 HE2 DPN 11 2HE DPN 11 -5.829 3.488 -2.001 65 HZ DPN 11 HZ DPN 11 -5.754 3.789 -4.446 66 HA MMO 12 HA NAR 12 -5.461 -0.748 2.412 67 HCB1 MMO 12 2HB NAR 12 -8.204 -1.199 1.423 68 HCB2 MMO 12 3HB NAR 12 -8.031 -1.204 3.172 69 HCG1 MMO 12 2HG NAR 12 -6.988 1.005 3.075 70 HCG2 MMO 12 3HG NAR 12 -7.171 1.008 1.321 71 HCD1 MMO 12 2HD NAR 12 -8.971 2.278 2.221 72 HCD2 MMO 12 3HD NAR 12 -9.638 0.741 1.671 73 HH21 MMO 12 1HH1 NAR 12 -10.163 -0.919 2.209 74 HH22 MMO 12 2HH1 NAR 12 -11.047 -1.836 3.384 75 HH11 MMO 12 1HH2 NAR 12 -10.527 0.447 5.981 76 HC1 MMO 12 2HN NAR 12 -7.142 -3.534 0.917 77 HC2 MMO 12 3HN NAR 12 -5.710 -3.740 -0.119 78 HC3 MMO 12 H NAR 12 -7.111 -2.818 -0.714 79 HE MMO 12 HE NAR 12 -9.367 1.645 4.425 80 HH12 MMO 12 2HH2 NAR 12 -11.254 -1.058 5.529 81 HA E9M 13 HA NTR 13 -3.967 -1.792 1.973 82 HD1 E9M 13 1HD NTR 13 -4.900 -2.258 6.072 83 HB3 E9M 13 3HB NTR 13 -2.628 -0.565 3.443 84 HB2 E9M 13 2HB NTR 13 -2.572 -1.865 4.630 85 HE3 E9M 13 3HE NTR 13 -3.735 1.568 2.890 86 HE1 E9M 13 1HE NTR 13 -6.639 -0.531 6.856 87 HZ3 E9M 13 3HZ NTR 13 -5.023 3.659 3.037 88 HZ2 E9M 13 2HZ NTR 13 -7.415 2.105 6.210 89 HH2 E9M 13 2HH NTR 13 -6.825 3.919 4.664 90 HN3 E9M 13 3HN NTR 13 -5.313 -4.172 5.062 91 HN1 E9M 13 H NTR 13 -3.616 -4.280 4.537 92 HN2 E9M 13 2HN NTR 13 -4.882 -5.150 3.640 93 H ARG 14 H ARG 14 -3.189 -3.386 0.603 94 HA ARG 14 HA ARG 14 -1.252 -5.310 1.555 95 HB3 ARG 14 2HB ARG 14 -1.143 -5.662 -1.082 96 HG3 ARG 14 2HG ARG 14 -2.001 -7.365 0.398 97 HD3 ARG 14 2HD ARG 14 -4.671 -7.107 0.615 98 HE ARG 14 HE ARG 14 -3.258 -5.852 2.790 99 HH11 ARG 14 1HH1 ARG 14 -4.011 -8.848 1.187 100 HH12 ARG 14 2HH1 ARG 14 -3.712 -9.823 2.587 101 HH21 ARG 14 1HH2 ARG 14 -2.862 -7.126 4.641 102 HH22 ARG 14 2HH2 ARG 14 -3.059 -8.843 4.552 Start of MODEL 8 1 H1 CYS 1 H CYS 1 1.303 -2.303 1.510 2 HA CYS 1 HA CYS 1 2.273 -0.987 -0.782 3 HB3 CYS 1 2HB CYS 1 4.311 -0.569 0.624 4 H THR 2 H THR 2 4.096 -1.365 -2.061 5 HA THR 2 HA THR 2 5.583 -3.829 -1.785 6 HB THR 2 HB THR 2 3.520 -4.531 -3.003 7 HG1 THR 2 1HG THR 2 4.900 -5.292 -4.934 8 HG21 THR 2 1HG2 THR 2 4.195 -3.504 -5.579 9 HG22 THR 2 2HG2 THR 2 4.015 -2.153 -4.460 10 HG23 THR 2 3HG2 THR 2 2.696 -3.306 -4.670 11 H ALA 3 H ALA 3 6.085 -0.927 -1.860 12 HA ALA 3 HA ALA 3 8.199 -0.985 -3.872 13 HB1 ALA 3 1HB ALA 3 7.185 1.641 -3.964 14 HB2 ALA 3 2HB ALA 3 7.201 0.435 -5.250 15 HB3 ALA 3 3HB ALA 3 5.811 0.554 -4.172 16 H SER 4 H SER 4 10.026 0.086 -3.270 17 HA SER 4 HA SER 4 10.519 0.582 -0.581 18 HB3 SER 4 2HB SER 4 12.656 1.337 -1.230 19 HG SER 4 HG SER 4 12.421 -0.746 -1.985 20 H ILE 5 H ILE 5 11.133 2.622 0.458 21 HA ILE 5 HA ILE 5 9.106 4.481 0.525 22 HB ILE 5 HB ILE 5 10.805 4.285 2.284 23 HG13 ILE 5 2HG1 ILE 5 10.044 6.865 1.049 24 HG21 ILE 5 1HG2 ILE 5 12.649 4.303 0.338 25 HG22 ILE 5 2HG2 ILE 5 12.741 5.989 0.845 26 HG23 ILE 5 3HG2 ILE 5 13.013 4.699 2.017 27 HD11 ILE 5 1HD1 ILE 5 9.457 5.363 3.470 28 HD12 ILE 5 2HD1 ILE 5 9.726 7.084 3.756 29 HD13 ILE 5 3HD1 ILE 5 8.491 6.562 2.610 30 HA PRO 6 HA PRO 6 8.204 6.314 0.596 31 HB3 PRO 6 2HB PRO 6 7.448 8.265 -0.355 32 HG3 PRO 6 2HG PRO 6 7.772 8.700 -2.617 33 HD3 PRO 6 2HD PRO 6 9.917 8.109 -2.016 34 HA PRO 7 HA PRO 7 6.425 2.343 -0.227 35 HB3 PRO 7 2HB PRO 7 6.273 2.118 2.054 36 HG3 PRO 7 2HG PRO 7 5.874 3.959 3.418 37 HD3 PRO 7 2HD PRO 7 7.615 4.775 2.148 38 H ILE 8 H ILE 8 5.135 1.969 -1.910 39 HA ILE 8 HA ILE 8 2.749 3.633 -2.292 40 HB ILE 8 HB ILE 8 3.795 1.657 -4.297 41 HG13 ILE 8 2HG1 ILE 8 5.022 3.616 -5.314 42 HG21 ILE 8 1HG2 ILE 8 2.833 3.886 -5.592 43 HG22 ILE 8 2HG2 ILE 8 1.954 2.382 -5.326 44 HG23 ILE 8 3HG2 ILE 8 1.756 3.729 -4.204 45 HD11 ILE 8 1HD1 ILE 8 3.874 5.357 -3.897 46 HD12 ILE 8 2HD1 ILE 8 4.903 4.820 -2.570 47 HD13 ILE 8 3HD1 ILE 8 5.626 5.490 -4.034 48 H CYS 9 H CYS 9 0.952 2.831 -1.435 49 HA CYS 9 HA CYS 9 0.587 -0.073 -1.301 50 HB3 CYS 9 2HB CYS 9 -1.445 0.666 0.133 51 H HIS 10 H HIS 10 -0.841 -1.116 -2.541 52 HA HIS 10 HA HIS 10 -2.593 0.499 -4.264 53 HB3 HIS 10 2HB HIS 10 -0.954 -0.873 -5.469 54 HD1 HIS 10 1HD HIS 10 -3.219 -3.778 -5.100 55 HD2 HIS 10 2HD HIS 10 0.586 -2.653 -3.873 56 HE1 HIS 10 1HE HIS 10 -2.127 -5.889 -4.277 57 H DPN 11 H DPN 11 -3.186 -0.314 -1.504 58 HA DPN 11 HA DPN 11 -4.928 -2.489 -1.361 59 HB2 DPN 11 2HB DPN 11 -7.085 -0.982 -1.290 60 HB3 DPN 11 3HB DPN 11 -6.493 -1.621 -2.821 61 HD1 DPN 11 1HD DPN 11 -6.477 -0.162 -4.579 62 HD2 DPN 11 2HD DPN 11 -5.894 1.355 -0.644 63 HE1 DPN 11 1HE DPN 11 -6.347 2.124 -5.483 64 HE2 DPN 11 2HE DPN 11 -5.762 3.642 -1.542 65 HZ DPN 11 HZ DPN 11 -5.988 4.029 -3.964 66 HA MMO 12 HA NAR 12 -5.043 -0.696 2.633 67 HCB1 MMO 12 2HB NAR 12 -7.875 -1.698 2.356 68 HCB2 MMO 12 3HB NAR 12 -7.257 -0.996 3.846 69 HCG1 MMO 12 2HG NAR 12 -6.853 1.103 2.756 70 HCG2 MMO 12 3HG NAR 12 -7.279 0.414 1.187 71 HCD1 MMO 12 2HD NAR 12 -9.554 0.149 1.833 72 HCD2 MMO 12 3HD NAR 12 -9.183 0.522 3.517 73 HH21 MMO 12 1HH1 NAR 12 -11.326 1.005 2.897 74 HH22 MMO 12 2HH1 NAR 12 -12.347 2.402 2.792 75 HH11 MMO 12 1HH2 NAR 12 -9.775 4.564 1.824 76 HC1 MMO 12 2HN NAR 12 -5.567 -3.662 0.057 77 HC2 MMO 12 3HN NAR 12 -7.016 -2.702 -0.325 78 HC3 MMO 12 H NAR 12 -6.859 -3.482 1.268 79 HE MMO 12 HE NAR 12 -8.442 2.719 1.966 80 HH12 MMO 12 2HH2 NAR 12 -11.465 4.426 2.180 81 HA E9M 13 HA NTR 13 -3.510 -1.554 2.012 82 HD1 E9M 13 1HD NTR 13 -3.869 -2.277 6.187 83 HB3 E9M 13 3HB NTR 13 -2.311 -0.121 3.376 84 HB2 E9M 13 2HB NTR 13 -1.848 -1.401 4.493 85 HE3 E9M 13 3HE NTR 13 -3.822 1.798 3.098 86 HE1 E9M 13 1HE NTR 13 -5.766 -0.918 7.273 87 HZ3 E9M 13 3HZ NTR 13 -5.426 3.616 3.518 88 HZ2 E9M 13 2HZ NTR 13 -7.069 1.554 6.873 89 HH2 E9M 13 2HH NTR 13 -7.015 3.494 5.367 90 HN3 E9M 13 3HN NTR 13 -2.806 -3.833 4.828 91 HN1 E9M 13 H NTR 13 -3.404 -4.918 3.551 92 HN2 E9M 13 2HN NTR 13 -4.489 -4.414 4.871 93 H ARG 14 H ARG 14 -2.364 -2.570 0.488 94 HA ARG 14 HA ARG 14 -0.076 -4.222 1.327 95 HB3 ARG 14 2HB ARG 14 -0.252 -5.134 -1.047 96 HG3 ARG 14 2HG ARG 14 -2.437 -5.583 0.956 97 HD3 ARG 14 2HD ARG 14 -2.970 -6.061 -1.587 98 HE ARG 14 HE ARG 14 -0.893 -7.904 -1.179 99 HH11 ARG 14 1HH1 ARG 14 -4.139 -7.755 -2.429 100 HH12 ARG 14 2HH1 ARG 14 -3.909 -9.062 -3.544 101 HH21 ARG 14 1HH2 ARG 14 -0.578 -9.626 -2.642 102 HH22 ARG 14 2HH2 ARG 14 -1.885 -10.126 -3.663 Start of MODEL 9 1 H1 CYS 1 H CYS 1 1.097 -1.925 1.638 2 HA CYS 1 HA CYS 1 2.304 -0.831 -0.569 3 HB3 CYS 1 2HB CYS 1 4.285 -0.419 0.941 4 H THR 2 H THR 2 4.083 -1.281 -1.835 5 HA THR 2 HA THR 2 5.716 -3.599 -1.402 6 HB THR 2 HB THR 2 3.716 -4.677 -2.350 7 HG1 THR 2 1HG THR 2 5.981 -5.304 -2.912 8 HG21 THR 2 1HG2 THR 2 3.717 -2.403 -4.051 9 HG22 THR 2 2HG2 THR 2 2.539 -3.715 -3.975 10 HG23 THR 2 3HG2 THR 2 3.924 -3.834 -5.062 11 H ALA 3 H ALA 3 5.963 -0.705 -1.884 12 HA ALA 3 HA ALA 3 7.812 -0.859 -4.162 13 HB1 ALA 3 1HB ALA 3 6.122 1.573 -3.644 14 HB2 ALA 3 2HB ALA 3 7.108 1.204 -5.061 15 HB3 ALA 3 3HB ALA 3 5.631 0.290 -4.751 16 H SER 4 H SER 4 9.733 0.190 -3.901 17 HA SER 4 HA SER 4 10.771 0.630 -1.391 18 HB3 SER 4 2HB SER 4 11.886 2.339 -3.542 19 HG SER 4 HG SER 4 13.279 0.248 -2.361 20 H ILE 5 H ILE 5 11.386 2.549 -0.256 21 HA ILE 5 HA ILE 5 9.373 4.343 0.254 22 HB ILE 5 HB ILE 5 12.306 5.005 0.519 23 HG13 ILE 5 2HG1 ILE 5 12.044 4.044 2.832 24 HG21 ILE 5 1HG2 ILE 5 10.698 6.852 0.884 25 HG22 ILE 5 2HG2 ILE 5 9.939 5.899 2.158 26 HG23 ILE 5 3HG2 ILE 5 11.611 6.431 2.334 27 HD11 ILE 5 1HD1 ILE 5 10.168 3.139 3.581 28 HD12 ILE 5 2HD1 ILE 5 9.357 3.834 2.175 29 HD13 ILE 5 3HD1 ILE 5 9.970 2.181 2.113 30 HA PRO 6 HA PRO 6 8.542 6.196 0.674 31 HB3 PRO 6 2HB PRO 6 7.665 8.225 0.047 32 HG3 PRO 6 2HG PRO 6 7.595 8.861 -2.189 33 HD3 PRO 6 2HD PRO 6 9.802 8.213 -2.029 34 HA PRO 7 HA PRO 7 6.395 2.409 -0.016 35 HB3 PRO 7 2HB PRO 7 6.217 2.255 2.270 36 HG3 PRO 7 2HG PRO 7 5.896 4.151 3.578 37 HD3 PRO 7 2HD PRO 7 7.683 4.849 2.300 38 H ILE 8 H ILE 8 5.006 1.927 -1.586 39 HA ILE 8 HA ILE 8 2.681 3.687 -2.004 40 HB ILE 8 HB ILE 8 4.072 1.898 -4.002 41 HG13 ILE 8 2HG1 ILE 8 5.390 3.882 -3.421 42 HG21 ILE 8 1HG2 ILE 8 2.598 2.962 -5.655 43 HG22 ILE 8 2HG2 ILE 8 1.692 2.047 -4.449 44 HG23 ILE 8 3HG2 ILE 8 1.765 3.807 -4.350 45 HD11 ILE 8 1HD1 ILE 8 5.239 3.143 -5.830 46 HD12 ILE 8 2HD1 ILE 8 4.094 4.465 -6.061 47 HD13 ILE 8 3HD1 ILE 8 5.746 4.807 -5.547 48 H CYS 9 H CYS 9 0.883 2.832 -1.201 49 HA CYS 9 HA CYS 9 0.557 -0.074 -1.144 50 HB3 CYS 9 2HB CYS 9 -1.473 0.507 0.270 51 H HIS 10 H HIS 10 -0.750 -1.122 -2.497 52 HA HIS 10 HA HIS 10 -2.476 0.473 -4.261 53 HB3 HIS 10 2HB HIS 10 -0.747 -0.880 -5.381 54 HD1 HIS 10 1HD HIS 10 -3.134 -3.731 -4.980 55 HD2 HIS 10 2HD HIS 10 0.768 -2.743 -3.950 56 HE1 HIS 10 1HE HIS 10 -2.085 -5.875 -4.189 57 H DPN 11 H DPN 11 -3.178 -0.367 -1.536 58 HA DPN 11 HA DPN 11 -4.885 -2.570 -1.478 59 HB2 DPN 11 2HB DPN 11 -7.069 -1.096 -1.500 60 HB3 DPN 11 3HB DPN 11 -6.403 -1.734 -3.000 61 HD1 DPN 11 1HD DPN 11 -6.347 -0.278 -4.763 62 HD2 DPN 11 2HD DPN 11 -5.924 1.258 -0.817 63 HE1 DPN 11 1HE DPN 11 -6.212 2.004 -5.671 64 HE2 DPN 11 2HE DPN 11 -5.786 3.544 -1.719 65 HZ DPN 11 HZ DPN 11 -5.932 3.919 -4.148 66 HA MMO 12 HA NAR 12 -5.229 -0.781 2.506 67 HCB1 MMO 12 2HB NAR 12 -8.013 -1.853 2.078 68 HCB2 MMO 12 3HB NAR 12 -7.493 -1.185 3.620 69 HCG1 MMO 12 2HG NAR 12 -6.885 0.917 2.371 70 HCG2 MMO 12 3HG NAR 12 -7.720 0.226 0.978 71 HCD1 MMO 12 2HD NAR 12 -9.726 -0.056 2.504 72 HCD2 MMO 12 3HD NAR 12 -8.866 0.959 3.662 73 HH21 MMO 12 1HH1 NAR 12 -10.031 -0.118 0.577 74 HH22 MMO 12 2HH1 NAR 12 -10.810 0.713 -0.727 75 HH11 MMO 12 1HH2 NAR 12 -10.335 3.897 0.638 76 HC1 MMO 12 2HN NAR 12 -6.922 -3.605 1.055 77 HC2 MMO 12 3HN NAR 12 -5.571 -3.758 -0.093 78 HC3 MMO 12 H NAR 12 -7.018 -2.822 -0.542 79 HE MMO 12 HE NAR 12 -9.311 2.790 2.349 80 HH12 MMO 12 2HH2 NAR 12 -10.982 2.998 -0.692 81 HA E9M 13 HA NTR 13 -3.641 -1.580 1.965 82 HD1 E9M 13 1HD NTR 13 -4.193 -2.328 6.112 83 HB3 E9M 13 3HB NTR 13 -2.576 -0.102 3.390 84 HB2 E9M 13 2HB NTR 13 -2.119 -1.365 4.530 85 HE3 E9M 13 3HE NTR 13 -4.141 1.758 3.041 86 HE1 E9M 13 1HE NTR 13 -6.194 -1.048 7.101 87 HZ3 E9M 13 3HZ NTR 13 -5.833 3.512 3.380 88 HZ2 E9M 13 2HZ NTR 13 -7.569 1.374 6.641 89 HH2 E9M 13 2HH NTR 13 -7.512 3.320 5.144 90 HN3 E9M 13 3HN NTR 13 -3.052 -3.821 4.865 91 HN1 E9M 13 H NTR 13 -3.421 -4.912 3.507 92 HN2 E9M 13 2HN NTR 13 -4.676 -4.529 4.710 93 H ARG 14 H ARG 14 -2.376 -2.549 0.506 94 HA ARG 14 HA ARG 14 -0.067 -4.101 1.471 95 HB3 ARG 14 2HB ARG 14 -0.138 -4.897 -1.033 96 HG3 ARG 14 2HG ARG 14 -2.213 -5.834 0.938 97 HD3 ARG 14 2HD ARG 14 -0.924 -7.581 -1.098 98 HE ARG 14 HE ARG 14 -2.465 -8.903 -0.059 99 HH11 ARG 14 1HH1 ARG 14 -3.873 -5.767 -0.610 100 HH12 ARG 14 2HH1 ARG 14 -5.451 -6.236 -0.067 101 HH21 ARG 14 1HH2 ARG 14 -4.537 -9.533 0.658 102 HH22 ARG 14 2HH2 ARG 14 -5.827 -8.379 0.653 Start of MODEL 10 1 H1 CYS 1 H CYS 1 -0.510 -2.205 -0.161 2 HA CYS 1 HA CYS 1 1.358 -1.067 -0.882 3 HB3 CYS 1 2HB CYS 1 2.660 -0.233 0.952 4 H THR 2 H THR 2 3.857 -1.029 -0.840 5 HA THR 2 HA THR 2 4.843 -3.794 -1.124 6 HB THR 2 HB THR 2 4.546 -2.632 -3.310 7 HG1 THR 2 1HG THR 2 6.273 -4.228 -2.821 8 HG21 THR 2 1HG2 THR 2 6.928 -0.971 -2.992 9 HG22 THR 2 2HG2 THR 2 5.568 -0.436 -2.004 10 HG23 THR 2 3HG2 THR 2 5.381 -0.596 -3.750 11 H ALA 3 H ALA 3 5.035 -1.316 0.870 12 HA ALA 3 HA ALA 3 6.592 -0.415 2.279 13 HB1 ALA 3 1HB ALA 3 6.524 -2.842 2.923 14 HB2 ALA 3 2HB ALA 3 7.984 -3.065 1.959 15 HB3 ALA 3 3HB ALA 3 8.007 -1.990 3.357 16 H SER 4 H SER 4 7.135 0.904 0.231 17 HA SER 4 HA SER 4 9.967 0.479 -0.461 18 HB3 SER 4 2HB SER 4 7.942 2.015 -2.098 19 HG SER 4 HG SER 4 9.511 1.939 -3.652 20 H ILE 5 H ILE 5 10.771 2.798 -1.413 21 HA ILE 5 HA ILE 5 10.015 4.890 0.494 22 HB ILE 5 HB ILE 5 12.861 4.023 -0.026 23 HG13 ILE 5 2HG1 ILE 5 12.914 3.447 2.337 24 HG21 ILE 5 1HG2 ILE 5 13.370 5.772 1.720 25 HG22 ILE 5 2HG2 ILE 5 12.869 6.383 0.145 26 HG23 ILE 5 3HG2 ILE 5 11.725 6.361 1.488 27 HD11 ILE 5 1HD1 ILE 5 11.516 4.427 3.749 28 HD12 ILE 5 2HD1 ILE 5 10.433 4.924 2.449 29 HD13 ILE 5 3HD1 ILE 5 10.282 3.316 3.158 30 HA PRO 6 HA PRO 6 9.040 6.490 0.372 31 HB3 PRO 6 2HB PRO 6 8.357 8.501 -0.504 32 HG3 PRO 6 2HG PRO 6 8.475 8.917 -2.789 33 HD3 PRO 6 2HD PRO 6 10.613 8.141 -2.415 34 HA PRO 7 HA PRO 7 6.743 2.758 -0.152 35 HB3 PRO 7 2HB PRO 7 6.566 2.723 2.138 36 HG3 PRO 7 2HG PRO 7 6.362 4.694 3.356 37 HD3 PRO 7 2HD PRO 7 8.181 5.226 2.044 38 H ILE 8 H ILE 8 4.797 1.972 -0.991 39 HA ILE 8 HA ILE 8 2.806 3.984 -1.792 40 HB ILE 8 HB ILE 8 2.675 3.216 -3.997 41 HG13 ILE 8 2HG1 ILE 8 3.859 0.763 -2.866 42 HG21 ILE 8 1HG2 ILE 8 5.598 3.142 -3.261 43 HG22 ILE 8 2HG2 ILE 8 4.950 3.402 -4.881 44 HG23 ILE 8 3HG2 ILE 8 4.649 4.587 -3.609 45 HD11 ILE 8 1HD1 ILE 8 1.591 1.475 -4.415 46 HD12 ILE 8 2HD1 ILE 8 2.553 0.309 -5.323 47 HD13 ILE 8 3HD1 ILE 8 2.000 -0.082 -3.695 48 H CYS 9 H CYS 9 0.681 3.230 -2.028 49 HA CYS 9 HA CYS 9 0.193 0.531 -0.949 50 HB3 CYS 9 2HB CYS 9 -2.053 1.745 -0.200 51 H HIS 10 H HIS 10 -1.031 -0.767 -2.158 52 HA HIS 10 HA HIS 10 -2.632 0.445 -4.316 53 HB3 HIS 10 2HB HIS 10 -0.843 -0.617 -5.428 54 HD1 HIS 10 1HD HIS 10 1.278 -1.754 -4.926 55 HD2 HIS 10 2HD HIS 10 -1.944 -3.667 -3.134 56 HE1 HIS 10 1HE HIS 10 2.260 -3.718 -3.698 57 H DPN 11 H DPN 11 -3.460 -0.267 -1.613 58 HA DPN 11 HA DPN 11 -4.836 -2.719 -1.546 59 HB2 DPN 11 2HB DPN 11 -7.016 -2.208 -2.193 60 HB3 DPN 11 3HB DPN 11 -6.054 -1.376 -3.409 61 HD1 DPN 11 1HD DPN 11 -5.244 1.075 -2.242 62 HD2 DPN 11 2HD DPN 11 -8.913 -1.019 -1.721 63 HE1 DPN 11 1HE DPN 11 -6.367 3.191 -1.681 64 HE2 DPN 11 2HE DPN 11 -10.043 1.094 -1.159 65 HZ DPN 11 HZ DPN 11 -8.769 3.202 -1.140 66 HA MMO 12 HA NAR 12 -5.460 -0.988 2.407 67 HCB1 MMO 12 2HB NAR 12 -8.187 -2.021 1.695 68 HCB2 MMO 12 3HB NAR 12 -7.829 -1.511 3.339 69 HCG1 MMO 12 2HG NAR 12 -6.934 0.640 2.073 70 HCG2 MMO 12 3HG NAR 12 -8.104 0.097 0.869 71 HCD1 MMO 12 2HD NAR 12 -8.837 0.345 3.766 72 HCD2 MMO 12 3HD NAR 12 -8.896 1.734 2.683 73 HH21 MMO 12 1HH1 NAR 12 -10.512 2.257 3.725 74 HH22 MMO 12 2HH1 NAR 12 -12.237 2.380 3.604 75 HH11 MMO 12 1HH2 NAR 12 -12.580 -0.405 1.518 76 HC1 MMO 12 2HN NAR 12 -6.718 -4.000 0.952 77 HC2 MMO 12 3HN NAR 12 -5.298 -3.959 -0.119 78 HC3 MMO 12 H NAR 12 -6.854 -3.305 -0.681 79 HE MMO 12 HE NAR 12 -10.310 -0.556 1.683 80 HH12 MMO 12 2HH2 NAR 12 -13.411 0.865 2.350 81 HA E9M 13 HA NTR 13 -3.834 -1.833 1.918 82 HD1 E9M 13 1HD NTR 13 -4.548 -2.526 6.047 83 HB3 E9M 13 3HB NTR 13 -2.817 -0.341 3.358 84 HB2 E9M 13 2HB NTR 13 -2.405 -1.589 4.532 85 HE3 E9M 13 3HE NTR 13 -4.340 1.539 2.952 86 HE1 E9M 13 1HE NTR 13 -6.565 -1.215 6.959 87 HZ3 E9M 13 3HZ NTR 13 -6.023 3.313 3.223 88 HZ2 E9M 13 2HZ NTR 13 -7.895 1.219 6.435 89 HH2 E9M 13 2HH NTR 13 -7.762 3.155 4.927 90 HN3 E9M 13 3HN NTR 13 -3.953 -5.217 3.520 91 HN1 E9M 13 H NTR 13 -4.956 -4.568 4.840 92 HN2 E9M 13 2HN NTR 13 -3.241 -4.104 4.713 93 H ARG 14 H ARG 14 -2.946 -3.616 0.713 94 HA ARG 14 HA ARG 14 -0.904 -5.301 1.542 95 HB3 ARG 14 2HB ARG 14 -0.261 -5.182 -0.994 96 HG3 ARG 14 2HG ARG 14 -1.771 -6.899 0.200 97 HD3 ARG 14 2HD ARG 14 -3.769 -5.110 -1.156 98 HE ARG 14 HE ARG 14 -4.819 -7.033 -1.789 99 HH11 ARG 14 1HH1 ARG 14 -3.327 -7.545 1.314 100 HH12 ARG 14 2HH1 ARG 14 -4.014 -9.120 1.531 101 HH21 ARG 14 1HH2 ARG 14 -5.731 -9.106 -1.514 102 HH22 ARG 14 2HH2 ARG 14 -5.381 -10.007 -0.079 Start of MODEL 11 1 H1 CYS 1 H CYS 1 1.010 -1.946 1.620 2 HA CYS 1 HA CYS 1 2.332 -0.797 -0.550 3 HB3 CYS 1 2HB CYS 1 4.242 -0.505 1.118 4 H THR 2 H THR 2 3.932 -1.436 -1.878 5 HA THR 2 HA THR 2 5.545 -3.765 -1.266 6 HB THR 2 HB THR 2 3.489 -4.702 -2.333 7 HG1 THR 2 1HG THR 2 4.807 -6.159 -3.110 8 HG21 THR 2 1HG2 THR 2 2.603 -3.759 -4.147 9 HG22 THR 2 2HG2 THR 2 4.098 -4.034 -5.041 10 HG23 THR 2 3HG2 THR 2 3.881 -2.544 -4.123 11 H ALA 3 H ALA 3 5.974 -0.908 -1.730 12 HA ALA 3 HA ALA 3 7.929 -1.158 -3.904 13 HB1 ALA 3 1HB ALA 3 6.424 0.064 -5.107 14 HB2 ALA 3 2HB ALA 3 5.743 0.843 -3.677 15 HB3 ALA 3 3HB ALA 3 7.299 1.374 -4.314 16 H SER 4 H SER 4 9.654 0.459 -3.795 17 HA SER 4 HA SER 4 10.816 0.629 -1.275 18 HB3 SER 4 2HB SER 4 11.390 2.500 -3.581 19 HG SER 4 HG SER 4 13.545 1.618 -2.322 20 H ILE 5 H ILE 5 11.667 2.986 -0.559 21 HA ILE 5 HA ILE 5 9.271 4.347 0.342 22 HB ILE 5 HB ILE 5 12.090 5.158 1.002 23 HG13 ILE 5 2HG1 ILE 5 11.932 3.656 2.971 24 HG21 ILE 5 1HG2 ILE 5 10.149 6.619 1.608 25 HG22 ILE 5 2HG2 ILE 5 9.575 5.318 2.649 26 HG23 ILE 5 3HG2 ILE 5 11.129 6.088 2.975 27 HD11 ILE 5 1HD1 ILE 5 9.515 3.368 3.098 28 HD12 ILE 5 2HD1 ILE 5 9.541 2.482 1.573 29 HD13 ILE 5 3HD1 ILE 5 10.351 1.820 2.993 30 HA PRO 6 HA PRO 6 8.318 6.088 0.912 31 HB3 PRO 6 2HB PRO 6 7.428 8.162 0.479 32 HG3 PRO 6 2HG PRO 6 7.572 9.111 -1.638 33 HD3 PRO 6 2HD PRO 6 9.774 8.508 -1.323 34 HA PRO 7 HA PRO 7 6.657 2.312 -0.715 35 HB3 PRO 7 2HB PRO 7 6.758 1.529 1.442 36 HG3 PRO 7 2HG PRO 7 6.433 2.952 3.252 37 HD3 PRO 7 2HD PRO 7 7.996 4.164 2.070 38 H ILE 8 H ILE 8 5.031 1.905 -2.081 39 HA ILE 8 HA ILE 8 2.671 3.659 -1.986 40 HB ILE 8 HB ILE 8 3.760 2.030 -4.286 41 HG13 ILE 8 2HG1 ILE 8 4.087 4.842 -3.400 42 HG21 ILE 8 1HG2 ILE 8 1.650 2.123 -5.025 43 HG22 ILE 8 2HG2 ILE 8 1.191 3.342 -3.838 44 HG23 ILE 8 3HG2 ILE 8 1.985 3.826 -5.336 45 HD11 ILE 8 1HD1 ILE 8 5.765 3.186 -5.264 46 HD12 ILE 8 2HD1 ILE 8 6.212 4.690 -4.458 47 HD13 ILE 8 3HD1 ILE 8 5.970 3.221 -3.512 48 H CYS 9 H CYS 9 0.825 2.821 -1.301 49 HA CYS 9 HA CYS 9 0.543 -0.086 -1.146 50 HB3 CYS 9 2HB CYS 9 -1.499 0.517 0.245 51 H HIS 10 H HIS 10 -0.799 -1.213 -2.408 52 HA HIS 10 HA HIS 10 -2.529 0.289 -4.252 53 HB3 HIS 10 2HB HIS 10 -0.822 -1.067 -5.357 54 HD1 HIS 10 1HD HIS 10 0.837 -2.663 -4.384 55 HD2 HIS 10 2HD HIS 10 -3.056 -4.098 -4.168 56 HE1 HIS 10 1HE HIS 10 1.038 -5.034 -3.571 57 H DPN 11 H DPN 11 -3.304 -0.313 -1.545 58 HA DPN 11 HA DPN 11 -4.971 -2.574 -1.378 59 HB2 DPN 11 2HB DPN 11 -7.132 -1.716 -1.817 60 HB3 DPN 11 3HB DPN 11 -6.148 -1.205 -3.183 61 HD1 DPN 11 1HD DPN 11 -4.899 1.164 -2.634 62 HD2 DPN 11 2HD DPN 11 -8.629 -0.164 -1.069 63 HE1 DPN 11 1HE DPN 11 -5.559 3.501 -2.234 64 HE2 DPN 11 2HE DPN 11 -9.294 2.170 -0.666 65 HZ DPN 11 HZ DPN 11 -7.759 4.007 -1.249 66 HA MMO 12 HA NAR 12 -5.202 -0.690 2.560 67 HCB1 MMO 12 2HB NAR 12 -7.965 -1.755 2.095 68 HCB2 MMO 12 3HB NAR 12 -7.479 -1.265 3.714 69 HCG1 MMO 12 2HG NAR 12 -6.834 0.959 2.716 70 HCG2 MMO 12 3HG NAR 12 -7.646 0.431 1.241 71 HCD1 MMO 12 2HD NAR 12 -9.092 1.810 2.690 72 HCD2 MMO 12 3HD NAR 12 -9.733 0.187 2.430 73 HH21 MMO 12 1HH1 NAR 12 -11.188 1.485 3.529 74 HH22 MMO 12 2HH1 NAR 12 -11.971 1.526 5.074 75 HH11 MMO 12 1HH2 NAR 12 -9.230 0.240 6.822 76 HC1 MMO 12 2HN NAR 12 -6.752 -3.657 1.255 77 HC2 MMO 12 3HN NAR 12 -5.396 -3.760 0.107 78 HC3 MMO 12 H NAR 12 -6.913 -2.971 -0.379 79 HE MMO 12 HE NAR 12 -8.209 0.188 4.783 80 HH12 MMO 12 2HH2 NAR 12 -10.856 0.819 6.946 81 HA E9M 13 HA NTR 13 -3.623 -1.489 1.974 82 HD1 E9M 13 1HD NTR 13 -4.055 -2.048 6.139 83 HB3 E9M 13 3HB NTR 13 -2.397 -0.013 3.297 84 HB2 E9M 13 2HB NTR 13 -1.980 -1.255 4.475 85 HE3 E9M 13 3HE NTR 13 -3.892 1.899 2.895 86 HE1 E9M 13 1HE NTR 13 -5.975 -0.640 7.113 87 HZ3 E9M 13 3HZ NTR 13 -5.500 3.738 3.193 88 HZ2 E9M 13 2HZ NTR 13 -7.254 1.820 6.575 89 HH2 E9M 13 2HH NTR 13 -7.144 3.697 4.996 90 HN3 E9M 13 3HN NTR 13 -4.437 -4.222 4.999 91 HN1 E9M 13 H NTR 13 -2.754 -3.687 4.771 92 HN2 E9M 13 2HN NTR 13 -3.483 -4.848 3.634 93 H ARG 14 H ARG 14 -2.455 -2.483 0.456 94 HA ARG 14 HA ARG 14 -0.159 -4.120 1.284 95 HB3 ARG 14 2HB ARG 14 -0.279 -4.797 -1.228 96 HG3 ARG 14 2HG ARG 14 -1.108 -6.108 0.885 97 HD3 ARG 14 2HD ARG 14 -3.700 -5.737 -0.592 98 HE ARG 14 HE ARG 14 -3.734 -6.680 2.111 99 HH11 ARG 14 1HH1 ARG 14 -3.331 -7.624 -1.217 100 HH12 ARG 14 2HH1 ARG 14 -3.823 -9.263 -0.946 101 HH21 ARG 14 1HH2 ARG 14 -4.383 -8.835 2.479 102 HH22 ARG 14 2HH2 ARG 14 -4.420 -9.950 1.156 Start of MODEL 12 1 H1 CYS 1 H CYS 1 1.506 -4.001 0.798 2 HA CYS 1 HA CYS 1 1.605 -1.407 -0.450 3 HB3 CYS 1 2HB CYS 1 2.710 -0.340 1.558 4 H THR 2 H THR 2 3.867 -0.570 -0.534 5 HA THR 2 HA THR 2 5.642 -2.701 -1.245 6 HB THR 2 HB THR 2 5.489 -0.443 -2.409 7 HG1 THR 2 1HG THR 2 7.231 -1.956 -2.723 8 HG21 THR 2 1HG2 THR 2 7.505 0.569 -0.471 9 HG22 THR 2 2HG2 THR 2 5.803 0.675 -0.020 10 HG23 THR 2 3HG2 THR 2 6.375 1.456 -1.494 11 H ALA 3 H ALA 3 8.128 -1.957 -0.551 12 HA ALA 3 HA ALA 3 8.135 -1.883 2.393 13 HB1 ALA 3 1HB ALA 3 10.213 -3.443 2.092 14 HB2 ALA 3 2HB ALA 3 8.583 -4.116 2.088 15 HB3 ALA 3 3HB ALA 3 9.430 -3.850 0.564 16 H SER 4 H SER 4 9.151 -0.463 -0.421 17 HA SER 4 HA SER 4 11.543 0.680 0.870 18 HB3 SER 4 2HB SER 4 11.819 -0.661 -1.312 19 HG SER 4 HG SER 4 10.423 0.044 -2.752 20 H ILE 5 H ILE 5 12.040 2.943 0.074 21 HA ILE 5 HA ILE 5 9.570 4.512 0.213 22 HB ILE 5 HB ILE 5 12.278 4.879 1.207 23 HG13 ILE 5 2HG1 ILE 5 9.662 6.288 1.787 24 HG21 ILE 5 1HG2 ILE 5 12.324 7.335 0.877 25 HG22 ILE 5 2HG2 ILE 5 12.526 6.424 -0.618 26 HG23 ILE 5 3HG2 ILE 5 10.974 7.174 -0.247 27 HD11 ILE 5 1HD1 ILE 5 9.188 4.133 2.428 28 HD12 ILE 5 2HD1 ILE 5 10.860 3.782 2.869 29 HD13 ILE 5 3HD1 ILE 5 9.871 4.814 3.904 30 HA PRO 6 HA PRO 6 9.014 6.666 -0.067 31 HB3 PRO 6 2HB PRO 6 8.367 8.371 -1.463 32 HG3 PRO 6 2HG PRO 6 8.341 8.087 -3.771 33 HD3 PRO 6 2HD PRO 6 10.460 7.313 -3.300 34 HA PRO 7 HA PRO 7 6.205 3.384 0.751 35 HB3 PRO 7 2HB PRO 7 5.572 4.502 2.655 36 HG3 PRO 7 2HG PRO 7 5.339 6.815 2.667 37 HD3 PRO 7 2HD PRO 7 7.428 6.631 1.712 38 H ILE 8 H ILE 8 4.623 2.190 -0.212 39 HA ILE 8 HA ILE 8 2.811 3.530 -2.092 40 HB ILE 8 HB ILE 8 4.798 1.408 -2.720 41 HG13 ILE 8 2HG1 ILE 8 4.564 3.975 -3.465 42 HG21 ILE 8 1HG2 ILE 8 3.309 0.806 -4.720 43 HG22 ILE 8 2HG2 ILE 8 2.920 0.095 -3.155 44 HG23 ILE 8 3HG2 ILE 8 1.985 1.464 -3.758 45 HD11 ILE 8 1HD1 ILE 8 6.216 1.988 -4.205 46 HD12 ILE 8 2HD1 ILE 8 5.395 2.307 -5.734 47 HD13 ILE 8 3HD1 ILE 8 6.246 3.608 -4.901 48 H CYS 9 H CYS 9 0.779 2.718 -2.155 49 HA CYS 9 HA CYS 9 0.237 0.131 -0.903 50 HB3 CYS 9 2HB CYS 9 -1.640 1.105 0.395 51 H HIS 10 H HIS 10 -0.698 -0.958 -2.506 52 HA HIS 10 HA HIS 10 -2.544 0.432 -4.309 53 HB3 HIS 10 2HB HIS 10 -0.744 -0.857 -5.363 54 HD1 HIS 10 1HD HIS 10 -2.985 -3.744 -4.363 55 HD2 HIS 10 2HD HIS 10 1.013 -2.620 -4.242 56 HE1 HIS 10 1HE HIS 10 -1.740 -5.774 -3.554 57 H DPN 11 H DPN 11 -3.228 -0.333 -1.548 58 HA DPN 11 HA DPN 11 -4.821 -2.620 -1.425 59 HB2 DPN 11 2HB DPN 11 -7.083 -1.342 -1.533 60 HB3 DPN 11 3HB DPN 11 -6.321 -1.854 -3.035 61 HD1 DPN 11 1HD DPN 11 -6.231 -0.327 -4.741 62 HD2 DPN 11 2HD DPN 11 -6.303 1.076 -0.723 63 HE1 DPN 11 1HE DPN 11 -6.282 1.994 -5.555 64 HE2 DPN 11 2HE DPN 11 -6.354 3.399 -1.531 65 HZ DPN 11 HZ DPN 11 -6.344 3.861 -3.950 66 HA MMO 12 HA NAR 12 -5.175 -0.814 2.531 67 HCB1 MMO 12 2HB NAR 12 -7.956 -1.402 1.735 68 HCB2 MMO 12 3HB NAR 12 -7.656 -1.400 3.468 69 HCG1 MMO 12 2HG NAR 12 -7.034 0.843 3.483 70 HCG2 MMO 12 3HG NAR 12 -6.747 0.871 1.741 71 HCD1 MMO 12 2HD NAR 12 -8.864 2.006 2.597 72 HCD2 MMO 12 3HD NAR 12 -9.037 0.881 1.252 73 HH21 MMO 12 1HH1 NAR 12 -10.930 1.373 1.184 74 HH22 MMO 12 2HH1 NAR 12 -12.523 0.789 1.536 75 HH11 MMO 12 1HH2 NAR 12 -11.533 -1.085 4.317 76 HC1 MMO 12 2HN NAR 12 -5.425 -3.804 0.009 77 HC2 MMO 12 3HN NAR 12 -6.916 -2.969 -0.489 78 HC3 MMO 12 H NAR 12 -6.797 -3.683 1.136 79 HE MMO 12 HE NAR 12 -9.441 -0.308 3.843 80 HH12 MMO 12 2HH2 NAR 12 -12.865 -0.608 3.319 81 HA E9M 13 HA NTR 13 -3.675 -1.776 1.971 82 HD1 E9M 13 1HD NTR 13 -4.389 -2.206 6.067 83 HB3 E9M 13 3HB NTR 13 -2.170 -0.586 3.349 84 HB2 E9M 13 2HB NTR 13 -2.105 -1.881 4.540 85 HE3 E9M 13 3HE NTR 13 -3.241 1.572 2.821 86 HE1 E9M 13 1HE NTR 13 -6.053 -0.430 6.903 87 HZ3 E9M 13 3HZ NTR 13 -4.469 3.696 3.001 88 HZ2 E9M 13 2HZ NTR 13 -6.785 2.223 6.269 89 HH2 E9M 13 2HH NTR 13 -6.205 4.013 4.691 90 HN3 E9M 13 3HN NTR 13 -4.985 -4.827 4.434 91 HN1 E9M 13 H NTR 13 -3.605 -3.953 5.140 92 HN2 E9M 13 2HN NTR 13 -3.379 -4.941 3.679 93 H ARG 14 H ARG 14 -2.744 -2.988 0.423 94 HA ARG 14 HA ARG 14 -0.644 -4.887 1.191 95 HB3 ARG 14 2HB ARG 14 -0.900 -5.483 -1.346 96 HG3 ARG 14 2HG ARG 14 -3.098 -6.141 0.603 97 HD3 ARG 14 2HD ARG 14 -3.272 -6.628 -1.994 98 HE ARG 14 HE ARG 14 -1.608 -8.074 -2.603 99 HH11 ARG 14 1HH1 ARG 14 -2.854 -9.024 0.506 100 HH12 ARG 14 2HH1 ARG 14 -1.950 -10.501 0.563 101 HH21 ARG 14 1HH2 ARG 14 -0.413 -10.016 -2.540 102 HH22 ARG 14 2HH2 ARG 14 -0.561 -11.063 -1.169 Start of MODEL 13 1 H1 CYS 1 H CYS 1 1.561 -2.607 1.455 2 HA CYS 1 HA CYS 1 2.123 -1.116 -0.946 3 HB3 CYS 1 2HB CYS 1 4.267 -0.565 0.246 4 H THR 2 H THR 2 4.058 -1.377 -2.220 5 HA THR 2 HA THR 2 5.475 -3.898 -2.072 6 HB THR 2 HB THR 2 3.411 -4.449 -3.364 7 HG1 THR 2 1HG THR 2 5.771 -4.515 -4.958 8 HG21 THR 2 1HG2 THR 2 2.657 -3.093 -4.961 9 HG22 THR 2 2HG2 THR 2 4.165 -3.279 -5.856 10 HG23 THR 2 3HG2 THR 2 4.006 -2.000 -4.653 11 H ALA 3 H ALA 3 6.072 -1.018 -1.948 12 HA ALA 3 HA ALA 3 8.253 -1.026 -3.872 13 HB1 ALA 3 1HB ALA 3 7.082 0.260 -5.294 14 HB2 ALA 3 2HB ALA 3 5.926 0.757 -4.059 15 HB3 ALA 3 3HB ALA 3 7.494 1.555 -4.171 16 H SER 4 H SER 4 10.049 0.048 -3.164 17 HA SER 4 HA SER 4 10.369 0.504 -0.429 18 HB3 SER 4 2HB SER 4 12.474 1.819 -1.282 19 HG SER 4 HG SER 4 13.414 -0.255 -1.866 20 H ILE 5 H ILE 5 11.055 2.565 0.595 21 HA ILE 5 HA ILE 5 9.069 4.470 0.577 22 HB ILE 5 HB ILE 5 10.727 4.265 2.378 23 HG13 ILE 5 2HG1 ILE 5 10.020 6.832 1.093 24 HG21 ILE 5 1HG2 ILE 5 12.954 4.901 2.195 25 HG22 ILE 5 2HG2 ILE 5 12.650 4.060 0.675 26 HG23 ILE 5 3HG2 ILE 5 12.673 5.822 0.718 27 HD11 ILE 5 1HD1 ILE 5 9.349 5.367 3.494 28 HD12 ILE 5 2HD1 ILE 5 9.716 7.060 3.824 29 HD13 ILE 5 3HD1 ILE 5 8.462 6.643 2.658 30 HA PRO 6 HA PRO 6 8.188 6.307 0.570 31 HB3 PRO 6 2HB PRO 6 7.490 8.246 -0.447 32 HG3 PRO 6 2HG PRO 6 7.893 8.628 -2.705 33 HD3 PRO 6 2HD PRO 6 10.010 8.020 -2.021 34 HA PRO 7 HA PRO 7 6.416 2.327 -0.248 35 HB3 PRO 7 2HB PRO 7 6.258 2.107 2.034 36 HG3 PRO 7 2HG PRO 7 5.871 3.954 3.393 37 HD3 PRO 7 2HD PRO 7 7.620 4.756 2.124 38 H ILE 8 H ILE 8 5.146 1.990 -1.957 39 HA ILE 8 HA ILE 8 2.779 3.668 -2.353 40 HB ILE 8 HB ILE 8 3.790 1.633 -4.318 41 HG13 ILE 8 2HG1 ILE 8 5.050 3.551 -5.373 42 HG21 ILE 8 1HG2 ILE 8 2.863 3.580 -5.825 43 HG22 ILE 8 2HG2 ILE 8 1.781 2.392 -5.103 44 HG23 ILE 8 3HG2 ILE 8 1.965 3.981 -4.362 45 HD11 ILE 8 1HD1 ILE 8 5.694 5.434 -4.111 46 HD12 ILE 8 2HD1 ILE 8 3.935 5.346 -4.011 47 HD13 ILE 8 3HD1 ILE 8 4.924 4.813 -2.653 48 H CYS 9 H CYS 9 0.961 2.921 -1.487 49 HA CYS 9 HA CYS 9 0.541 0.029 -1.282 50 HB3 CYS 9 2HB CYS 9 -1.489 0.835 0.110 51 H HIS 10 H HIS 10 -0.950 -1.032 -2.443 52 HA HIS 10 HA HIS 10 -2.704 0.567 -4.191 53 HB3 HIS 10 2HB HIS 10 -1.052 -0.639 -5.493 54 HD1 HIS 10 1HD HIS 10 -2.908 -3.796 -5.233 55 HD2 HIS 10 2HD HIS 10 0.673 -2.235 -3.816 56 HE1 HIS 10 1HE HIS 10 -1.577 -5.777 -4.441 57 H DPN 11 H DPN 11 -3.373 -0.205 -1.519 58 HA DPN 11 HA DPN 11 -4.961 -2.526 -1.414 59 HB2 DPN 11 2HB DPN 11 -7.157 -1.735 -1.757 60 HB3 DPN 11 3HB DPN 11 -6.234 -1.086 -3.108 61 HD1 DPN 11 1HD DPN 11 -5.047 1.287 -2.372 62 HD2 DPN 11 2HD DPN 11 -8.721 -0.300 -0.920 63 HE1 DPN 11 1HE DPN 11 -5.794 3.557 -1.792 64 HE2 DPN 11 2HE DPN 11 -9.474 1.969 -0.338 65 HZ DPN 11 HZ DPN 11 -8.011 3.902 -0.775 66 HA MMO 12 HA NAR 12 -5.174 -0.809 2.610 67 HCB1 MMO 12 2HB NAR 12 -7.832 -2.178 2.281 68 HCB2 MMO 12 3HB NAR 12 -7.309 -1.573 3.849 69 HCG1 MMO 12 2HG NAR 12 -6.888 0.633 2.457 70 HCG2 MMO 12 3HG NAR 12 -8.111 -0.090 1.408 71 HCD1 MMO 12 2HD NAR 12 -8.490 0.202 4.376 72 HCD2 MMO 12 3HD NAR 12 -8.942 1.468 3.236 73 HH21 MMO 12 1HH1 NAR 12 -10.409 1.583 4.770 74 HH22 MMO 12 2HH1 NAR 12 -12.109 1.339 4.998 75 HH11 MMO 12 1HH2 NAR 12 -12.311 -1.353 2.774 76 HC1 MMO 12 2HN NAR 12 -6.858 -3.038 -0.375 77 HC2 MMO 12 3HN NAR 12 -6.618 -3.798 1.217 78 HC3 MMO 12 H NAR 12 -5.298 -3.801 0.022 79 HE MMO 12 HE NAR 12 -10.073 -1.020 2.483 80 HH12 MMO 12 2HH2 NAR 12 -13.189 -0.333 3.862 81 HA E9M 13 HA NTR 13 -3.537 -1.400 1.958 82 HD1 E9M 13 1HD NTR 13 -3.737 -2.234 6.119 83 HB3 E9M 13 3HB NTR 13 -2.555 0.181 3.335 84 HB2 E9M 13 2HB NTR 13 -1.889 -1.030 4.428 85 HE3 E9M 13 3HE NTR 13 -4.345 1.847 3.099 86 HE1 E9M 13 1HE NTR 13 -5.811 -1.200 7.240 87 HZ3 E9M 13 3HZ NTR 13 -6.208 3.389 3.560 88 HZ2 E9M 13 2HZ NTR 13 -7.483 1.046 6.891 89 HH2 E9M 13 2HH NTR 13 -7.743 2.995 5.417 90 HN3 E9M 13 3HN NTR 13 -4.022 -4.477 4.715 91 HN1 E9M 13 H NTR 13 -2.488 -3.577 4.777 92 HN2 E9M 13 2HN NTR 13 -2.811 -4.696 3.431 93 H ARG 14 H ARG 14 -2.627 -3.329 0.784 94 HA ARG 14 HA ARG 14 -0.001 -4.235 1.453 95 HB3 ARG 14 2HB ARG 14 -0.157 -5.037 -1.048 96 HG3 ARG 14 2HG ARG 14 -1.858 -6.075 1.196 97 HD3 ARG 14 2HD ARG 14 -1.878 -8.192 -0.235 98 HE ARG 14 HE ARG 14 -3.757 -6.206 -0.122 99 HH11 ARG 14 1HH1 ARG 14 -2.732 -8.522 -2.510 100 HH12 ARG 14 2HH1 ARG 14 -4.294 -8.646 -3.251 101 HH21 ARG 14 1HH2 ARG 14 -5.817 -6.360 -1.087 102 HH22 ARG 14 2HH2 ARG 14 -6.048 -7.415 -2.440 Start of MODEL 14 1 H1 CYS 1 H CYS 1 1.232 -3.776 1.378 2 HA CYS 1 HA CYS 1 1.502 -1.471 -0.412 3 HB3 CYS 1 2HB CYS 1 3.538 -1.035 1.138 4 H THR 2 H THR 2 3.722 -1.038 -1.266 5 HA THR 2 HA THR 2 5.529 -3.232 -1.600 6 HB THR 2 HB THR 2 3.708 -3.841 -3.204 7 HG1 THR 2 1HG THR 2 6.061 -4.283 -3.505 8 HG21 THR 2 1HG2 THR 2 3.075 -2.517 -4.964 9 HG22 THR 2 2HG2 THR 2 4.620 -1.668 -5.023 10 HG23 THR 2 3HG2 THR 2 3.442 -1.271 -3.772 11 H ALA 3 H ALA 3 7.171 -2.626 -3.440 12 HA ALA 3 HA ALA 3 8.776 -1.198 -4.191 13 HB1 ALA 3 1HB ALA 3 7.406 1.322 -3.935 14 HB2 ALA 3 2HB ALA 3 7.923 0.467 -5.389 15 HB3 ALA 3 3HB ALA 3 6.356 0.107 -4.664 16 H SER 4 H SER 4 10.289 0.436 -3.482 17 HA SER 4 HA SER 4 10.419 0.564 -0.590 18 HB3 SER 4 2HB SER 4 12.416 -0.038 -1.939 19 HG SER 4 HG SER 4 13.399 1.504 -3.194 20 H ILE 5 H ILE 5 11.468 2.748 0.230 21 HA ILE 5 HA ILE 5 9.510 4.679 0.288 22 HB ILE 5 HB ILE 5 11.341 4.620 1.902 23 HG13 ILE 5 2HG1 ILE 5 10.636 7.085 0.409 24 HG21 ILE 5 1HG2 ILE 5 12.987 4.372 -0.253 25 HG22 ILE 5 2HG2 ILE 5 13.261 6.049 0.213 26 HG23 ILE 5 3HG2 ILE 5 13.520 4.756 1.383 27 HD11 ILE 5 1HD1 ILE 5 9.884 5.855 2.842 28 HD12 ILE 5 2HD1 ILE 5 10.618 7.413 3.220 29 HD13 ILE 5 3HD1 ILE 5 9.251 7.327 2.108 30 HA PRO 6 HA PRO 6 8.727 6.589 0.284 31 HB3 PRO 6 2HB PRO 6 7.968 8.481 -0.776 32 HG3 PRO 6 2HG PRO 6 8.048 8.672 -3.092 33 HD3 PRO 6 2HD PRO 6 10.215 8.007 -2.674 34 HA PRO 7 HA PRO 7 6.605 2.715 0.125 35 HB3 PRO 7 2HB PRO 7 6.580 2.814 2.420 36 HG3 PRO 7 2HG PRO 7 6.378 4.845 3.532 37 HD3 PRO 7 2HD PRO 7 8.085 5.359 2.070 38 H ILE 8 H ILE 8 5.207 2.222 -1.438 39 HA ILE 8 HA ILE 8 2.815 3.905 -1.784 40 HB ILE 8 HB ILE 8 4.165 3.880 -3.777 41 HG13 ILE 8 2HG1 ILE 8 2.446 3.538 -5.241 42 HG21 ILE 8 1HG2 ILE 8 5.489 1.936 -3.512 43 HG22 ILE 8 2HG2 ILE 8 4.071 0.888 -3.480 44 HG23 ILE 8 3HG2 ILE 8 4.540 1.690 -4.979 45 HD11 ILE 8 1HD1 ILE 8 2.083 0.875 -3.936 46 HD12 ILE 8 2HD1 ILE 8 0.822 1.567 -4.958 47 HD13 ILE 8 3HD1 ILE 8 2.425 1.257 -5.624 48 H CYS 9 H CYS 9 0.794 2.992 -1.874 49 HA CYS 9 HA CYS 9 0.633 0.112 -1.268 50 HB3 CYS 9 2HB CYS 9 -1.472 0.715 0.018 51 H HIS 10 H HIS 10 -1.040 -1.056 -2.201 52 HA HIS 10 HA HIS 10 -2.615 0.367 -4.244 53 HB3 HIS 10 2HB HIS 10 -0.879 -0.876 -5.378 54 HD1 HIS 10 1HD HIS 10 -2.865 -3.842 -4.089 55 HD2 HIS 10 2HD HIS 10 1.058 -2.506 -4.381 56 HE1 HIS 10 1HE HIS 10 -1.441 -5.762 -3.309 57 H DPN 11 H DPN 11 -3.399 -0.269 -1.552 58 HA DPN 11 HA DPN 11 -4.961 -2.607 -1.406 59 HB2 DPN 11 2HB DPN 11 -7.133 -1.893 -1.922 60 HB3 DPN 11 3HB DPN 11 -6.156 -1.223 -3.225 61 HD1 DPN 11 1HD DPN 11 -5.073 1.190 -2.376 62 HD2 DPN 11 2HD DPN 11 -8.817 -0.501 -1.261 63 HE1 DPN 11 1HE DPN 11 -5.933 3.437 -1.862 64 HE2 DPN 11 2HE DPN 11 -9.681 1.743 -0.745 65 HZ DPN 11 HZ DPN 11 -8.238 3.716 -1.045 66 HA MMO 12 HA NAR 12 -5.288 -0.788 2.548 67 HCB1 MMO 12 2HB NAR 12 -8.073 -1.737 1.976 68 HCB2 MMO 12 3HB NAR 12 -7.625 -1.281 3.616 69 HCG1 MMO 12 2HG NAR 12 -6.732 0.881 2.393 70 HCG2 MMO 12 3HG NAR 12 -7.934 0.402 1.192 71 HCD1 MMO 12 2HD NAR 12 -8.438 0.869 4.130 72 HCD2 MMO 12 3HD NAR 12 -8.882 1.956 2.815 73 HH21 MMO 12 1HH1 NAR 12 -10.269 2.047 4.630 74 HH22 MMO 12 2HH1 NAR 12 -11.940 1.754 4.982 75 HH11 MMO 12 1HH2 NAR 12 -12.237 -0.923 2.755 76 HC1 MMO 12 2HN NAR 12 -6.780 -3.747 1.191 77 HC2 MMO 12 3HN NAR 12 -5.412 -3.806 0.054 78 HC3 MMO 12 H NAR 12 -6.947 -3.054 -0.440 79 HE MMO 12 HE NAR 12 -10.037 -0.528 2.299 80 HH12 MMO 12 2HH2 NAR 12 -13.059 0.064 3.915 81 HA E9M 13 HA NTR 13 -3.730 -1.678 1.962 82 HD1 E9M 13 1HD NTR 13 -4.147 -2.272 6.158 83 HB3 E9M 13 3HB NTR 13 -2.475 -0.263 3.308 84 HB2 E9M 13 2HB NTR 13 -2.086 -1.536 4.463 85 HE3 E9M 13 3HE NTR 13 -3.940 1.682 2.923 86 HE1 E9M 13 1HE NTR 13 -6.019 -0.822 7.165 87 HZ3 E9M 13 3HZ NTR 13 -5.497 3.558 3.252 88 HZ2 E9M 13 2HZ NTR 13 -7.246 1.669 6.656 89 HH2 E9M 13 2HH NTR 13 -7.115 3.550 5.080 90 HN3 E9M 13 3HN NTR 13 -2.925 -4.028 4.584 91 HN1 E9M 13 H NTR 13 -4.011 -5.086 3.653 92 HN2 E9M 13 2HN NTR 13 -4.617 -4.238 5.095 93 H ARG 14 H ARG 14 -3.002 -3.411 0.632 94 HA ARG 14 HA ARG 14 -0.645 -4.890 1.444 95 HB3 ARG 14 2HB ARG 14 -0.898 -5.675 -1.057 96 HG3 ARG 14 2HG ARG 14 -2.838 -7.188 -0.376 97 HD3 ARG 14 2HD ARG 14 -1.377 -8.255 1.477 98 HE ARG 14 HE ARG 14 -1.129 -8.405 -1.240 99 HH11 ARG 14 1HH1 ARG 14 1.067 -8.559 1.458 100 HH12 ARG 14 2HH1 ARG 14 2.184 -9.613 0.657 101 HH21 ARG 14 1HH2 ARG 14 0.333 -9.794 -2.306 102 HH22 ARG 14 2HH2 ARG 14 1.767 -10.315 -1.485 Start of MODEL 15 1 H1 CYS 1 H CYS 1 0.972 -2.126 1.486 2 HA CYS 1 HA CYS 1 2.283 -0.897 -0.660 3 HB3 CYS 1 2HB CYS 1 4.242 -0.776 0.947 4 H THR 2 H THR 2 3.841 -1.527 -2.050 5 HA THR 2 HA THR 2 5.191 -4.084 -1.652 6 HB THR 2 HB THR 2 3.142 -4.570 -2.991 7 HG1 THR 2 1HG THR 2 5.574 -4.852 -4.454 8 HG21 THR 2 1HG2 THR 2 3.936 -2.225 -4.370 9 HG22 THR 2 2HG2 THR 2 2.526 -3.242 -4.669 10 HG23 THR 2 3HG2 THR 2 4.044 -3.568 -5.506 11 H ALA 3 H ALA 3 6.008 -1.276 -1.610 12 HA ALA 3 HA ALA 3 8.258 -1.516 -3.418 13 HB1 ALA 3 1HB ALA 3 6.220 -0.264 -4.529 14 HB2 ALA 3 2HB ALA 3 6.841 1.093 -3.589 15 HB3 ALA 3 3HB ALA 3 7.878 0.288 -4.767 16 H SER 4 H SER 4 10.000 -0.114 -2.889 17 HA SER 4 HA SER 4 10.290 0.383 -0.130 18 HB3 SER 4 2HB SER 4 12.288 -0.060 -1.292 19 HG SER 4 HG SER 4 11.939 0.376 -3.375 20 H ILE 5 H ILE 5 11.316 2.696 0.452 21 HA ILE 5 HA ILE 5 9.123 4.492 0.450 22 HB ILE 5 HB ILE 5 11.944 5.271 1.139 23 HG13 ILE 5 2HG1 ILE 5 11.445 4.452 3.445 24 HG21 ILE 5 1HG2 ILE 5 9.330 6.087 2.393 25 HG22 ILE 5 2HG2 ILE 5 10.918 6.806 2.650 26 HG23 ILE 5 3HG2 ILE 5 10.116 6.979 1.090 27 HD11 ILE 5 1HD1 ILE 5 9.044 4.287 3.400 28 HD12 ILE 5 2HD1 ILE 5 9.120 3.084 2.112 29 HD13 ILE 5 3HD1 ILE 5 9.745 2.700 3.716 30 HA PRO 6 HA PRO 6 8.327 6.414 0.417 31 HB3 PRO 6 2HB PRO 6 7.692 8.334 -0.671 32 HG3 PRO 6 2HG PRO 6 8.074 8.606 -2.948 33 HD3 PRO 6 2HD PRO 6 10.176 7.943 -2.269 34 HA PRO 7 HA PRO 7 6.398 2.470 -0.217 35 HB3 PRO 7 2HB PRO 7 6.295 2.334 2.074 36 HG3 PRO 7 2HG PRO 7 6.014 4.239 3.378 37 HD3 PRO 7 2HD PRO 7 7.756 4.929 2.037 38 H ILE 8 H ILE 8 4.919 1.925 -1.684 39 HA ILE 8 HA ILE 8 2.579 3.684 -2.040 40 HB ILE 8 HB ILE 8 2.489 2.754 -4.374 41 HG13 ILE 8 2HG1 ILE 8 4.483 1.041 -3.364 42 HG21 ILE 8 1HG2 ILE 8 3.484 4.973 -3.710 43 HG22 ILE 8 2HG2 ILE 8 5.064 4.198 -3.794 44 HG23 ILE 8 3HG2 ILE 8 4.059 4.308 -5.238 45 HD11 ILE 8 1HD1 ILE 8 4.372 1.030 -6.248 46 HD12 ILE 8 2HD1 ILE 8 3.873 -0.204 -5.090 47 HD13 ILE 8 3HD1 ILE 8 2.763 1.094 -5.530 48 H CYS 9 H CYS 9 0.823 2.796 -1.185 49 HA CYS 9 HA CYS 9 0.543 -0.115 -1.134 50 HB3 CYS 9 2HB CYS 9 -1.451 0.427 0.346 51 H HIS 10 H HIS 10 -0.665 -1.138 -2.576 52 HA HIS 10 HA HIS 10 -2.469 0.419 -4.274 53 HB3 HIS 10 2HB HIS 10 -0.792 -1.001 -5.385 54 HD1 HIS 10 1HD HIS 10 0.710 -2.679 -4.236 55 HD2 HIS 10 2HD HIS 10 -3.229 -3.966 -4.539 56 HE1 HIS 10 1HE HIS 10 0.739 -5.099 -3.553 57 H DPN 11 H DPN 11 -3.120 -0.365 -1.503 58 HA DPN 11 HA DPN 11 -4.891 -2.515 -1.380 59 HB2 DPN 11 2HB DPN 11 -7.038 -1.017 -1.367 60 HB3 DPN 11 3HB DPN 11 -6.397 -1.611 -2.897 61 HD1 DPN 11 1HD DPN 11 -6.285 -0.108 -4.616 62 HD2 DPN 11 2HD DPN 11 -5.928 1.311 -0.619 63 HE1 DPN 11 1HE DPN 11 -6.140 2.203 -5.453 64 HE2 DPN 11 2HE DPN 11 -5.781 3.623 -1.449 65 HZ DPN 11 HZ DPN 11 -5.886 4.071 -3.869 66 HA MMO 12 HA NAR 12 -5.054 -0.697 2.602 67 HCB1 MMO 12 2HB NAR 12 -7.864 -1.456 2.017 68 HCB2 MMO 12 3HB NAR 12 -7.416 -1.321 3.712 69 HCG1 MMO 12 2HG NAR 12 -6.895 0.950 3.514 70 HCG2 MMO 12 3HG NAR 12 -6.824 0.867 1.752 71 HCD1 MMO 12 2HD NAR 12 -8.884 1.955 2.789 72 HCD2 MMO 12 3HD NAR 12 -9.155 0.725 1.553 73 HH21 MMO 12 1HH1 NAR 12 -8.521 2.054 4.687 74 HH22 MMO 12 2HH1 NAR 12 -9.194 1.723 6.250 75 HH11 MMO 12 1HH2 NAR 12 -10.997 -1.081 5.197 76 HC1 MMO 12 2HN NAR 12 -5.545 -3.680 0.040 77 HC2 MMO 12 3HN NAR 12 -6.981 -2.716 -0.379 78 HC3 MMO 12 H NAR 12 -6.861 -3.483 1.222 79 HE MMO 12 HE NAR 12 -10.105 -0.635 3.146 80 HH12 MMO 12 2HH2 NAR 12 -10.600 -0.061 6.539 81 HA E9M 13 HA NTR 13 -3.534 -1.543 2.011 82 HD1 E9M 13 1HD NTR 13 -4.134 -2.105 6.105 83 HB3 E9M 13 3HB NTR 13 -2.110 -0.254 3.377 84 HB2 E9M 13 2HB NTR 13 -1.908 -1.558 4.543 85 HE3 E9M 13 3HE NTR 13 -3.341 1.832 2.942 86 HE1 E9M 13 1HE NTR 13 -5.908 -0.482 7.021 87 HZ3 E9M 13 3HZ NTR 13 -4.720 3.852 3.204 88 HZ2 E9M 13 2HZ NTR 13 -6.848 2.123 6.475 89 HH2 E9M 13 2HH NTR 13 -6.438 3.993 4.935 90 HN3 E9M 13 3HN NTR 13 -3.240 -3.762 5.134 91 HN1 E9M 13 H NTR 13 -3.000 -4.709 3.646 92 HN2 E9M 13 2HN NTR 13 -4.585 -4.707 4.453 93 H ARG 14 H ARG 14 -2.436 -2.510 0.427 94 HA ARG 14 HA ARG 14 -0.215 -4.302 1.147 95 HB3 ARG 14 2HB ARG 14 -0.438 -5.197 -1.152 96 HG3 ARG 14 2HG ARG 14 -3.130 -5.229 0.184 97 HD3 ARG 14 2HD ARG 14 -3.017 -6.312 -2.002 98 HE ARG 14 HE ARG 14 -0.495 -7.218 -1.242 99 HH11 ARG 14 1HH1 ARG 14 -3.397 -8.465 -2.705 100 HH12 ARG 14 2HH1 ARG 14 -2.568 -9.676 -3.627 101 HH21 ARG 14 1HH2 ARG 14 0.608 -8.807 -2.451 102 HH22 ARG 14 2HH2 ARG 14 -0.290 -9.869 -3.480 Start of MODEL 16 1 H1 CYS 1 H CYS 1 1.208 -3.711 1.589 2 HA CYS 1 HA CYS 1 1.639 -1.408 -0.197 3 HB3 CYS 1 2HB CYS 1 2.402 -0.157 1.851 4 H THR 2 H THR 2 3.846 -0.554 -0.165 5 HA THR 2 HA THR 2 5.763 -2.710 -0.239 6 HB THR 2 HB THR 2 5.590 -0.739 -1.901 7 HG1 THR 2 1HG THR 2 7.301 -2.204 -2.006 8 HG21 THR 2 1HG2 THR 2 6.312 1.319 -1.327 9 HG22 THR 2 2HG2 THR 2 7.595 0.689 -0.290 10 HG23 THR 2 3HG2 THR 2 5.940 0.793 0.313 11 H ALA 3 H ALA 3 8.122 -1.746 0.492 12 HA ALA 3 HA ALA 3 7.828 -0.876 3.289 13 HB1 ALA 3 1HB ALA 3 8.526 -3.423 2.567 14 HB2 ALA 3 2HB ALA 3 10.094 -2.654 2.815 15 HB3 ALA 3 3HB ALA 3 8.898 -2.657 4.112 16 H SER 4 H SER 4 9.123 -0.242 0.311 17 HA SER 4 HA SER 4 11.567 0.996 1.333 18 HB3 SER 4 2HB SER 4 11.939 -0.236 -0.672 19 HG SER 4 HG SER 4 9.722 1.188 -1.728 20 H ILE 5 H ILE 5 12.029 3.169 0.011 21 HA ILE 5 HA ILE 5 9.659 4.885 0.368 22 HB ILE 5 HB ILE 5 12.538 5.633 0.891 23 HG13 ILE 5 2HG1 ILE 5 11.850 5.762 3.253 24 HG21 ILE 5 1HG2 ILE 5 11.725 7.753 1.623 25 HG22 ILE 5 2HG2 ILE 5 11.058 7.449 0.019 26 HG23 ILE 5 3HG2 ILE 5 10.050 7.233 1.449 27 HD11 ILE 5 1HD1 ILE 5 9.230 5.589 2.243 28 HD12 ILE 5 2HD1 ILE 5 9.526 4.123 3.179 29 HD13 ILE 5 3HD1 ILE 5 9.749 5.705 3.925 30 HA PRO 6 HA PRO 6 8.877 6.781 -0.083 31 HB3 PRO 6 2HB PRO 6 8.202 8.391 -1.577 32 HG3 PRO 6 2HG PRO 6 8.480 8.092 -3.867 33 HD3 PRO 6 2HD PRO 6 10.606 7.581 -3.139 34 HA PRO 7 HA PRO 7 6.533 3.098 0.467 35 HB3 PRO 7 2HB PRO 7 5.784 4.005 2.440 36 HG3 PRO 7 2HG PRO 7 5.315 6.276 2.616 37 HD3 PRO 7 2HD PRO 7 7.417 6.376 1.671 38 H ILE 8 H ILE 8 4.514 1.997 -0.115 39 HA ILE 8 HA ILE 8 2.992 3.257 -2.275 40 HB ILE 8 HB ILE 8 4.847 1.013 -2.587 41 HG13 ILE 8 2HG1 ILE 8 4.241 3.368 -3.892 42 HG21 ILE 8 1HG2 ILE 8 2.894 -0.351 -2.527 43 HG22 ILE 8 2HG2 ILE 8 2.011 0.767 -3.565 44 HG23 ILE 8 3HG2 ILE 8 3.357 -0.167 -4.218 45 HD11 ILE 8 1HD1 ILE 8 6.122 2.984 -5.020 46 HD12 ILE 8 2HD1 ILE 8 6.248 1.532 -4.025 47 HD13 ILE 8 3HD1 ILE 8 5.547 1.438 -5.641 48 H CYS 9 H CYS 9 0.886 2.602 -2.427 49 HA CYS 9 HA CYS 9 -0.014 0.325 -0.837 50 HB3 CYS 9 2HB CYS 9 -1.938 1.885 -0.021 51 H HIS 10 H HIS 10 -0.995 -0.867 -2.334 52 HA HIS 10 HA HIS 10 -2.761 0.481 -4.268 53 HB3 HIS 10 2HB HIS 10 -0.871 -0.739 -5.284 54 HD1 HIS 10 1HD HIS 10 0.736 -2.215 -3.983 55 HD2 HIS 10 2HD HIS 10 -2.979 -3.973 -4.590 56 HE1 HIS 10 1HE HIS 10 1.010 -4.617 -3.295 57 H DPN 11 H DPN 11 -3.503 -0.235 -1.557 58 HA DPN 11 HA DPN 11 -4.985 -2.626 -1.465 59 HB2 DPN 11 2HB DPN 11 -7.207 -1.925 -1.891 60 HB3 DPN 11 3HB DPN 11 -6.258 -1.310 -3.240 61 HD1 DPN 11 1HD DPN 11 -5.206 1.132 -2.660 62 HD2 DPN 11 2HD DPN 11 -8.805 -0.507 -1.088 63 HE1 DPN 11 1HE DPN 11 -6.040 3.403 -2.212 64 HE2 DPN 11 2HE DPN 11 -9.645 1.761 -0.638 65 HZ DPN 11 HZ DPN 11 -8.262 3.719 -1.199 66 HA MMO 12 HA NAR 12 -5.344 -0.919 2.536 67 HCB1 MMO 12 2HB NAR 12 -8.080 -1.999 1.970 68 HCB2 MMO 12 3HB NAR 12 -7.638 -1.570 3.617 69 HCG1 MMO 12 2HG NAR 12 -6.873 0.670 2.437 70 HCG2 MMO 12 3HG NAR 12 -8.078 0.162 1.253 71 HCD1 MMO 12 2HD NAR 12 -8.705 0.204 4.184 72 HCD2 MMO 12 3HD NAR 12 -8.820 1.670 3.209 73 HH21 MMO 12 1HH1 NAR 12 -10.395 1.432 4.890 74 HH22 MMO 12 2HH1 NAR 12 -12.119 1.323 5.017 75 HH11 MMO 12 1HH2 NAR 12 -12.511 -0.470 2.040 76 HC1 MMO 12 2HN NAR 12 -6.710 -3.914 1.118 77 HC2 MMO 12 3HN NAR 12 -5.346 -3.883 -0.026 78 HC3 MMO 12 H NAR 12 -6.916 -3.190 -0.494 79 HE MMO 12 HE NAR 12 -10.241 -0.319 1.886 80 HH12 MMO 12 2HH2 NAR 12 -13.323 0.242 3.395 81 HA E9M 13 HA NTR 13 -3.747 -1.702 1.921 82 HD1 E9M 13 1HD NTR 13 -4.115 -2.404 6.100 83 HB3 E9M 13 3HB NTR 13 -2.544 -0.262 3.292 84 HB2 E9M 13 2HB NTR 13 -2.097 -1.542 4.417 85 HE3 E9M 13 3HE NTR 13 -4.104 1.616 2.941 86 HE1 E9M 13 1HE NTR 13 -6.053 -1.065 7.135 87 HZ3 E9M 13 3HZ NTR 13 -5.751 3.408 3.307 88 HZ2 E9M 13 2HZ NTR 13 -7.401 1.373 6.676 89 HH2 E9M 13 2HH NTR 13 -7.363 3.287 5.135 90 HN3 E9M 13 3HN NTR 13 -3.088 -4.845 3.549 91 HN1 E9M 13 H NTR 13 -4.652 -4.887 4.398 92 HN2 E9M 13 2HN NTR 13 -3.321 -3.893 5.034 93 H ARG 14 H ARG 14 -3.010 -3.529 0.624 94 HA ARG 14 HA ARG 14 -0.637 -4.946 1.319 95 HB3 ARG 14 2HB ARG 14 -0.824 -5.181 -1.405 96 HG3 ARG 14 2HG ARG 14 -0.848 -7.016 0.301 97 HD3 ARG 14 2HD ARG 14 -3.506 -7.683 0.422 98 HE ARG 14 HE ARG 14 -1.568 -6.858 2.344 99 HH11 ARG 14 1HH1 ARG 14 -4.948 -7.556 1.892 100 HH12 ARG 14 2HH1 ARG 14 -5.216 -7.979 3.551 101 HH21 ARG 14 1HH2 ARG 14 -1.907 -7.412 4.530 102 HH22 ARG 14 2HH2 ARG 14 -3.486 -7.897 5.051 Start of MODEL 17 1 H1 CYS 1 H CYS 1 0.454 -1.567 1.055 2 HA CYS 1 HA CYS 1 2.337 -0.594 -0.490 3 HB3 CYS 1 2HB CYS 1 4.025 -0.979 1.461 4 H THR 2 H THR 2 3.967 -1.196 -1.778 5 HA THR 2 HA THR 2 5.479 -3.587 -1.390 6 HB THR 2 HB THR 2 3.391 -4.526 -2.382 7 HG1 THR 2 1HG THR 2 5.031 -5.826 -2.872 8 HG21 THR 2 1HG2 THR 2 3.666 -2.320 -4.136 9 HG22 THR 2 2HG2 THR 2 2.407 -3.555 -4.129 10 HG23 THR 2 3HG2 THR 2 3.861 -3.783 -5.100 11 H ALA 3 H ALA 3 5.863 -0.717 -1.816 12 HA ALA 3 HA ALA 3 7.739 -0.909 -4.062 13 HB1 ALA 3 1HB ALA 3 6.255 0.324 -5.242 14 HB2 ALA 3 2HB ALA 3 5.480 0.976 -3.798 15 HB3 ALA 3 3HB ALA 3 7.010 1.650 -4.358 16 H SER 4 H SER 4 9.664 0.113 -3.754 17 HA SER 4 HA SER 4 10.623 0.587 -1.218 18 HB3 SER 4 2HB SER 4 12.312 0.341 -2.778 19 HG SER 4 HG SER 4 10.808 2.112 -4.384 20 H ILE 5 H ILE 5 11.246 2.530 -0.113 21 HA ILE 5 HA ILE 5 9.238 4.363 0.290 22 HB ILE 5 HB ILE 5 12.172 4.960 0.662 23 HG13 ILE 5 2HG1 ILE 5 11.827 4.058 2.964 24 HG21 ILE 5 1HG2 ILE 5 11.433 6.449 2.419 25 HG22 ILE 5 2HG2 ILE 5 10.639 6.874 0.903 26 HG23 ILE 5 3HG2 ILE 5 9.755 5.984 2.143 27 HD11 ILE 5 1HD1 ILE 5 9.409 4.163 3.129 28 HD12 ILE 5 2HD1 ILE 5 9.259 2.972 1.835 29 HD13 ILE 5 3HD1 ILE 5 9.988 2.515 3.374 30 HA PRO 6 HA PRO 6 8.376 6.203 0.603 31 HB3 PRO 6 2HB PRO 6 7.537 8.217 -0.117 32 HG3 PRO 6 2HG PRO 6 7.598 8.808 -2.365 33 HD3 PRO 6 2HD PRO 6 9.793 8.167 -2.062 34 HA PRO 7 HA PRO 7 6.395 2.339 -0.216 35 HB3 PRO 7 2HB PRO 7 6.344 2.060 2.063 36 HG3 PRO 7 2HG PRO 7 6.051 3.874 3.488 37 HD3 PRO 7 2HD PRO 7 7.750 4.683 2.158 38 H ILE 8 H ILE 8 5.007 2.013 -1.829 39 HA ILE 8 HA ILE 8 2.641 3.737 -2.050 40 HB ILE 8 HB ILE 8 3.562 1.827 -4.178 41 HG13 ILE 8 2HG1 ILE 8 4.793 3.780 -5.176 42 HG21 ILE 8 1HG2 ILE 8 1.651 4.054 -3.941 43 HG22 ILE 8 2HG2 ILE 8 2.587 4.004 -5.433 44 HG23 ILE 8 3HG2 ILE 8 1.603 2.618 -4.963 45 HD11 ILE 8 1HD1 ILE 8 4.736 4.934 -2.405 46 HD12 ILE 8 2HD1 ILE 8 5.486 5.609 -3.852 47 HD13 ILE 8 3HD1 ILE 8 3.728 5.525 -3.725 48 H CYS 9 H CYS 9 0.873 2.923 -1.144 49 HA CYS 9 HA CYS 9 0.497 0.029 -1.020 50 HB3 CYS 9 2HB CYS 9 -1.456 0.648 0.454 51 H HIS 10 H HIS 10 -0.523 -0.908 -2.654 52 HA HIS 10 HA HIS 10 -2.440 0.622 -4.242 53 HB3 HIS 10 2HB HIS 10 -0.652 -0.646 -5.401 54 HD1 HIS 10 1HD HIS 10 -2.814 -3.593 -5.588 55 HD2 HIS 10 2HD HIS 10 0.671 -2.503 -3.607 56 HE1 HIS 10 1HE HIS 10 -1.801 -5.747 -4.778 57 H DPN 11 H DPN 11 -3.218 -0.124 -1.612 58 HA DPN 11 HA DPN 11 -4.768 -2.465 -1.523 59 HB2 DPN 11 2HB DPN 11 -6.929 -1.787 -2.069 60 HB3 DPN 11 3HB DPN 11 -5.960 -1.003 -3.311 61 HD1 DPN 11 1HD DPN 11 -4.918 1.355 -2.109 62 HD2 DPN 11 2HD DPN 11 -8.722 -0.467 -1.529 63 HE1 DPN 11 1HE DPN 11 -5.861 3.535 -1.467 64 HE2 DPN 11 2HE DPN 11 -9.670 1.711 -0.886 65 HZ DPN 11 HZ DPN 11 -8.238 3.715 -0.853 66 HA MMO 12 HA NAR 12 -5.126 -0.733 2.467 67 HCB1 MMO 12 2HB NAR 12 -7.924 -1.675 1.904 68 HCB2 MMO 12 3HB NAR 12 -7.455 -1.157 3.518 69 HCG1 MMO 12 2HG NAR 12 -6.706 1.011 2.492 70 HCG2 MMO 12 3HG NAR 12 -7.470 0.474 0.995 71 HCD1 MMO 12 2HD NAR 12 -8.905 1.952 2.394 72 HCD2 MMO 12 3HD NAR 12 -9.616 0.376 2.049 73 HH21 MMO 12 1HH1 NAR 12 -11.152 1.488 3.041 74 HH22 MMO 12 2HH1 NAR 12 -12.057 1.461 4.516 75 HH11 MMO 12 1HH2 NAR 12 -9.400 0.284 6.461 76 HC1 MMO 12 2HN NAR 12 -6.801 -2.911 -0.573 77 HC2 MMO 12 3HN NAR 12 -6.635 -3.646 1.038 78 HC3 MMO 12 H NAR 12 -5.271 -3.689 -0.104 79 HE MMO 12 HE NAR 12 -8.219 0.323 4.511 80 HH12 MMO 12 2HH2 NAR 12 -11.059 0.777 6.462 81 HA E9M 13 HA NTR 13 -3.564 -1.598 1.926 82 HD1 E9M 13 1HD NTR 13 -4.277 -2.234 6.027 83 HB3 E9M 13 3HB NTR 13 -2.329 -0.225 3.354 84 HB2 E9M 13 2HB NTR 13 -2.055 -1.516 4.520 85 HE3 E9M 13 3HE NTR 13 -3.674 1.785 2.924 86 HE1 E9M 13 1HE NTR 13 -6.170 -0.736 6.923 87 HZ3 E9M 13 3HZ NTR 13 -5.184 3.711 3.181 88 HZ2 E9M 13 2HZ NTR 13 -7.262 1.810 6.387 89 HH2 E9M 13 2HH NTR 13 -6.941 3.721 4.877 90 HN3 E9M 13 3HN NTR 13 -4.730 -4.513 4.656 91 HN1 E9M 13 H NTR 13 -3.085 -3.857 4.845 92 HN2 E9M 13 2HN NTR 13 -3.461 -4.936 3.481 93 H ARG 14 H ARG 14 -2.383 -2.632 0.441 94 HA ARG 14 HA ARG 14 -0.637 -4.784 0.977 95 HB3 ARG 14 2HB ARG 14 0.099 -4.510 -1.351 96 HG3 ARG 14 2HG ARG 14 -2.395 -4.130 -2.316 97 HD3 ARG 14 2HD ARG 14 -0.842 -6.178 -2.302 98 HE ARG 14 HE ARG 14 -1.975 -6.511 0.286 99 HH11 ARG 14 1HH1 ARG 14 -0.950 -8.249 -2.549 100 HH12 ARG 14 2HH1 ARG 14 -0.618 -9.716 -1.689 101 HH21 ARG 14 1HH2 ARG 14 -1.542 -8.435 1.430 102 HH22 ARG 14 2HH2 ARG 14 -0.956 -9.821 0.574 Start of MODEL 18 1 H1 CYS 1 H CYS 1 1.430 -4.062 1.104 2 HA CYS 1 HA CYS 1 1.884 -1.675 -0.401 3 HB3 CYS 1 2HB CYS 1 2.392 -0.195 1.490 4 H THR 2 H THR 2 4.020 -1.377 -0.798 5 HA THR 2 HA THR 2 5.821 -3.461 -0.010 6 HB THR 2 HB THR 2 5.825 -2.270 -2.256 7 HG1 THR 2 1HG THR 2 7.596 -3.589 -1.313 8 HG21 THR 2 1HG2 THR 2 6.776 -0.167 -2.507 9 HG22 THR 2 2HG2 THR 2 7.578 -0.230 -0.938 10 HG23 THR 2 3HG2 THR 2 5.835 0.024 -1.029 11 H ALA 3 H ALA 3 8.244 -2.099 0.220 12 HA ALA 3 HA ALA 3 7.926 -0.721 2.807 13 HB1 ALA 3 1HB ALA 3 10.023 -1.702 3.528 14 HB2 ALA 3 2HB ALA 3 8.893 -2.968 3.047 15 HB3 ALA 3 3HB ALA 3 10.210 -2.504 1.968 16 H SER 4 H SER 4 9.528 -0.808 -0.288 17 HA SER 4 HA SER 4 11.587 0.987 0.049 18 HB3 SER 4 2HB SER 4 11.027 1.649 -2.402 19 HG SER 4 HG SER 4 11.600 -0.979 -1.530 20 H ILE 5 H ILE 5 11.768 3.258 -0.463 21 HA ILE 5 HA ILE 5 9.368 4.751 0.354 22 HB ILE 5 HB ILE 5 12.257 5.625 0.486 23 HG13 ILE 5 2HG1 ILE 5 12.002 5.355 2.923 24 HG21 ILE 5 1HG2 ILE 5 10.605 7.447 0.184 25 HG22 ILE 5 2HG2 ILE 5 9.803 6.920 1.662 26 HG23 ILE 5 3HG2 ILE 5 11.458 7.526 1.724 27 HD11 ILE 5 1HD1 ILE 5 9.813 3.550 3.003 28 HD12 ILE 5 2HD1 ILE 5 10.057 5.038 3.916 29 HD13 ILE 5 3HD1 ILE 5 9.255 5.088 2.347 30 HA PRO 6 HA PRO 6 8.389 6.585 0.299 31 HB3 PRO 6 2HB PRO 6 7.367 8.314 -0.817 32 HG3 PRO 6 2HG PRO 6 7.285 8.358 -3.141 33 HD3 PRO 6 2HD PRO 6 9.533 7.950 -2.831 34 HA PRO 7 HA PRO 7 6.416 2.669 0.649 35 HB3 PRO 7 2HB PRO 7 5.917 3.238 2.819 36 HG3 PRO 7 2HG PRO 7 5.320 5.414 3.381 37 HD3 PRO 7 2HD PRO 7 7.238 5.828 2.171 38 H ILE 8 H ILE 8 5.561 1.863 -1.186 39 HA ILE 8 HA ILE 8 3.385 3.131 -2.565 40 HB ILE 8 HB ILE 8 5.161 0.837 -3.048 41 HG13 ILE 8 2HG1 ILE 8 4.328 3.295 -4.297 42 HG21 ILE 8 1HG2 ILE 8 3.577 -0.114 -4.763 43 HG22 ILE 8 2HG2 ILE 8 3.168 -0.443 -3.081 44 HG23 ILE 8 3HG2 ILE 8 2.297 0.806 -3.971 45 HD11 ILE 8 1HD1 ILE 8 6.491 3.347 -4.725 46 HD12 ILE 8 2HD1 ILE 8 6.655 1.697 -4.123 47 HD13 ILE 8 3HD1 ILE 8 6.315 1.983 -5.829 48 H CYS 9 H CYS 9 1.261 2.553 -2.634 49 HA CYS 9 HA CYS 9 0.382 0.208 -1.124 50 HB3 CYS 9 2HB CYS 9 -1.508 1.771 -0.219 51 H HIS 10 H HIS 10 -1.001 -0.926 -2.302 52 HA HIS 10 HA HIS 10 -2.641 0.493 -4.299 53 HB3 HIS 10 2HB HIS 10 -0.877 -0.852 -5.368 54 HD1 HIS 10 1HD HIS 10 0.727 -2.404 -4.183 55 HD2 HIS 10 2HD HIS 10 -3.130 -3.932 -4.420 56 HE1 HIS 10 1HE HIS 10 0.903 -4.794 -3.424 57 H DPN 11 H DPN 11 -3.330 -0.126 -1.552 58 HA DPN 11 HA DPN 11 -4.955 -2.419 -1.366 59 HB2 DPN 11 2HB DPN 11 -7.136 -1.600 -1.744 60 HB3 DPN 11 3HB DPN 11 -6.196 -1.030 -3.119 61 HD1 DPN 11 1HD DPN 11 -4.973 1.350 -2.501 62 HD2 DPN 11 2HD DPN 11 -8.665 -0.100 -0.955 63 HE1 DPN 11 1HE DPN 11 -5.676 3.660 -2.023 64 HE2 DPN 11 2HE DPN 11 -9.372 2.207 -0.474 65 HZ DPN 11 HZ DPN 11 -7.878 4.090 -1.010 66 HA MMO 12 HA NAR 12 -5.061 -0.633 2.616 67 HCB1 MMO 12 2HB NAR 12 -7.890 -1.501 2.150 68 HCB2 MMO 12 3HB NAR 12 -7.365 -1.091 3.777 69 HCG1 MMO 12 2HG NAR 12 -6.504 1.092 2.687 70 HCG2 MMO 12 3HG NAR 12 -7.595 0.661 1.369 71 HCD1 MMO 12 2HD NAR 12 -8.631 0.588 4.160 72 HCD2 MMO 12 3HD NAR 12 -8.395 2.157 3.392 73 HH21 MMO 12 1HH1 NAR 12 -10.256 1.897 4.787 74 HH22 MMO 12 2HH1 NAR 12 -11.979 2.007 4.638 75 HH11 MMO 12 1HH2 NAR 12 -12.069 0.724 1.387 76 HC1 MMO 12 2HN NAR 12 -5.368 -3.623 0.102 77 HC2 MMO 12 3HN NAR 12 -6.903 -2.825 -0.321 78 HC3 MMO 12 H NAR 12 -6.687 -3.539 1.295 79 HE MMO 12 HE NAR 12 -9.802 0.585 1.594 80 HH12 MMO 12 2HH2 NAR 12 -13.010 1.338 2.705 81 HA E9M 13 HA NTR 13 -3.554 -1.553 1.959 82 HD1 E9M 13 1HD NTR 13 -3.830 -2.177 6.150 83 HB3 E9M 13 3HB NTR 13 -2.190 -0.195 3.262 84 HB2 E9M 13 2HB NTR 13 -1.803 -1.492 4.390 85 HE3 E9M 13 3HE NTR 13 -3.590 1.808 2.957 86 HE1 E9M 13 1HE NTR 13 -5.609 -0.671 7.241 87 HZ3 E9M 13 3HZ NTR 13 -5.064 3.736 3.364 88 HZ2 E9M 13 2HZ NTR 13 -6.759 1.870 6.806 89 HH2 E9M 13 2HH NTR 13 -6.614 3.765 5.249 90 HN3 E9M 13 3HN NTR 13 -2.772 -3.863 4.682 91 HN1 E9M 13 H NTR 13 -3.653 -4.943 3.575 92 HN2 E9M 13 2HN NTR 13 -4.483 -4.246 4.986 93 H ARG 14 H ARG 14 -2.946 -3.305 0.585 94 HA ARG 14 HA ARG 14 -0.697 -4.962 1.239 95 HB3 ARG 14 2HB ARG 14 -0.921 -5.342 -1.391 96 HG3 ARG 14 2HG ARG 14 -3.198 -6.656 -0.604 97 HD3 ARG 14 2HD ARG 14 -0.384 -7.229 -0.971 98 HE ARG 14 HE ARG 14 -1.500 -9.386 0.563 99 HH11 ARG 14 1HH1 ARG 14 0.405 -6.475 0.686 100 HH12 ARG 14 2HH1 ARG 14 1.241 -6.928 2.135 101 HH21 ARG 14 1HH2 ARG 14 -0.407 -9.994 2.472 102 HH22 ARG 14 2HH2 ARG 14 0.779 -8.929 3.149 Start of MODEL 19 1 H1 CYS 1 H CYS 1 1.311 -2.250 1.267 2 HA CYS 1 HA CYS 1 2.324 -1.155 -1.030 3 HB3 CYS 1 2HB CYS 1 4.499 -0.918 0.301 4 H THR 2 H THR 2 4.359 -1.521 -2.163 5 HA THR 2 HA THR 2 5.493 -4.185 -2.072 6 HB THR 2 HB THR 2 3.507 -4.434 -3.558 7 HG1 THR 2 1HG THR 2 4.897 -5.893 -4.237 8 HG21 THR 2 1HG2 THR 2 4.566 -3.195 -5.897 9 HG22 THR 2 2HG2 THR 2 4.455 -1.982 -4.621 10 HG23 THR 2 3HG2 THR 2 3.024 -2.898 -5.096 11 H ALA 3 H ALA 3 6.303 -1.325 -1.772 12 HA ALA 3 HA ALA 3 8.743 -1.515 -3.294 13 HB1 ALA 3 1HB ALA 3 6.802 -0.289 -4.649 14 HB2 ALA 3 2HB ALA 3 7.389 1.084 -3.711 15 HB3 ALA 3 3HB ALA 3 8.494 0.197 -4.760 16 H SER 4 H SER 4 10.383 -0.110 -2.543 17 HA SER 4 HA SER 4 10.232 0.494 0.217 18 HB3 SER 4 2HB SER 4 12.330 1.693 -1.561 19 HG SER 4 HG SER 4 12.519 0.318 0.914 20 H ILE 5 H ILE 5 11.017 2.738 1.007 21 HA ILE 5 HA ILE 5 8.999 4.589 0.649 22 HB ILE 5 HB ILE 5 11.823 5.349 1.377 23 HG13 ILE 5 2HG1 ILE 5 11.131 4.852 3.731 24 HG21 ILE 5 1HG2 ILE 5 10.813 7.108 2.640 25 HG22 ILE 5 2HG2 ILE 5 10.136 7.149 1.013 26 HG23 ILE 5 3HG2 ILE 5 9.198 6.466 2.341 27 HD11 ILE 5 1HD1 ILE 5 8.823 3.449 2.407 28 HD12 ILE 5 2HD1 ILE 5 9.317 3.237 4.085 29 HD13 ILE 5 3HD1 ILE 5 8.731 4.804 3.532 30 HA PRO 6 HA PRO 6 8.164 6.456 0.404 31 HB3 PRO 6 2HB PRO 6 7.535 8.261 -0.872 32 HG3 PRO 6 2HG PRO 6 8.008 8.347 -3.146 33 HD3 PRO 6 2HD PRO 6 10.092 7.795 -2.328 34 HA PRO 7 HA PRO 7 6.287 2.460 0.066 35 HB3 PRO 7 2HB PRO 7 5.966 2.597 2.337 36 HG3 PRO 7 2HG PRO 7 5.543 4.637 3.370 37 HD3 PRO 7 2HD PRO 7 7.400 5.200 2.124 38 H ILE 8 H ILE 8 5.236 2.040 -1.786 39 HA ILE 8 HA ILE 8 2.823 3.576 -2.443 40 HB ILE 8 HB ILE 8 4.450 3.486 -4.229 41 HG13 ILE 8 2HG1 ILE 8 2.123 3.469 -4.913 42 HG21 ILE 8 1HG2 ILE 8 5.711 1.709 -4.666 43 HG22 ILE 8 2HG2 ILE 8 4.957 0.913 -3.286 44 HG23 ILE 8 3HG2 ILE 8 4.294 0.688 -4.904 45 HD11 ILE 8 1HD1 ILE 8 3.777 3.183 -6.720 46 HD12 ILE 8 2HD1 ILE 8 3.574 1.435 -6.587 47 HD13 ILE 8 3HD1 ILE 8 2.216 2.446 -7.078 48 H CYS 9 H CYS 9 1.002 2.724 -1.685 49 HA CYS 9 HA CYS 9 0.723 -0.204 -1.630 50 HB3 CYS 9 2HB CYS 9 -1.183 0.280 -0.038 51 H HIS 10 H HIS 10 -1.117 -1.189 -2.471 52 HA HIS 10 HA HIS 10 -2.771 0.522 -4.210 53 HB3 HIS 10 2HB HIS 10 -1.350 -0.782 -5.628 54 HD1 HIS 10 1HD HIS 10 0.441 -2.456 -5.391 55 HD2 HIS 10 2HD HIS 10 -3.128 -3.782 -3.725 56 HE1 HIS 10 1HE HIS 10 0.908 -4.786 -4.566 57 H DPN 11 H DPN 11 -3.342 -0.206 -1.485 58 HA DPN 11 HA DPN 11 -5.113 -2.380 -1.287 59 HB2 DPN 11 2HB DPN 11 -7.240 -1.453 -1.571 60 HB3 DPN 11 3HB DPN 11 -6.327 -0.778 -2.917 61 HD1 DPN 11 1HD DPN 11 -4.890 1.430 -1.837 62 HD2 DPN 11 2HD DPN 11 -8.803 0.067 -0.862 63 HE1 DPN 11 1HE DPN 11 -5.496 3.702 -1.111 64 HE2 DPN 11 2HE DPN 11 -9.415 2.335 -0.132 65 HZ DPN 11 HZ DPN 11 -7.762 4.158 -0.257 66 HA MMO 12 HA NAR 12 -4.924 -0.694 2.744 67 HCB1 MMO 12 2HB NAR 12 -7.779 -1.659 2.600 68 HCB2 MMO 12 3HB NAR 12 -7.073 -0.994 4.068 69 HCG1 MMO 12 2HG NAR 12 -6.745 1.128 3.044 70 HCG2 MMO 12 3HG NAR 12 -7.162 0.488 1.453 71 HCD1 MMO 12 2HD NAR 12 -9.439 0.131 2.134 72 HCD2 MMO 12 3HD NAR 12 -9.053 0.569 3.798 73 HH21 MMO 12 1HH1 NAR 12 -11.254 0.846 2.565 74 HH22 MMO 12 2HH1 NAR 12 -12.316 2.172 2.222 75 HH11 MMO 12 1HH2 NAR 12 -9.751 4.532 1.943 76 HC1 MMO 12 2HN NAR 12 -6.767 -3.483 1.431 77 HC2 MMO 12 3HN NAR 12 -5.527 -3.607 0.162 78 HC3 MMO 12 H NAR 12 -7.024 -2.697 -0.144 79 HE MMO 12 HE NAR 12 -8.363 2.779 2.394 80 HH12 MMO 12 2HH2 NAR 12 -11.460 4.267 1.867 81 HA E9M 13 HA NTR 13 -3.430 -1.570 2.013 82 HD1 E9M 13 1HD NTR 13 -3.589 -2.399 6.166 83 HB3 E9M 13 3HB NTR 13 -2.209 -0.136 3.341 84 HB2 E9M 13 2HB NTR 13 -1.649 -1.423 4.403 85 HE3 E9M 13 3HE NTR 13 -3.705 1.797 3.247 86 HE1 E9M 13 1HE NTR 13 -5.421 -1.086 7.410 87 HZ3 E9M 13 3HZ NTR 13 -5.280 3.596 3.830 88 HZ2 E9M 13 2HZ NTR 13 -6.741 1.398 7.184 89 HH2 E9M 13 2HH NTR 13 -6.766 3.398 5.757 90 HN3 E9M 13 3HN NTR 13 -3.249 -4.937 3.486 91 HN1 E9M 13 H NTR 13 -4.314 -4.490 4.842 92 HN2 E9M 13 2HN NTR 13 -2.639 -3.890 4.790 93 H ARG 14 H ARG 14 -2.362 -2.600 0.442 94 HA ARG 14 HA ARG 14 -0.051 -4.267 1.178 95 HB3 ARG 14 2HB ARG 14 -0.341 -5.039 -1.290 96 HG3 ARG 14 2HG ARG 14 -1.077 -6.229 0.949 97 HD3 ARG 14 2HD ARG 14 -3.681 -5.727 -0.488 98 HE ARG 14 HE ARG 14 -2.981 -7.842 1.256 99 HH11 ARG 14 1HH1 ARG 14 -5.522 -5.557 0.592 100 HH12 ARG 14 2HH1 ARG 14 -6.776 -6.568 1.228 101 HH21 ARG 14 1HH2 ARG 14 -4.624 -9.184 2.097 102 HH22 ARG 14 2HH2 ARG 14 -6.265 -8.630 2.085 Start of MODEL 20 1 H1 CYS 1 H CYS 1 0.154 -3.014 -0.624 2 HA CYS 1 HA CYS 1 1.199 -0.990 0.093 3 HB3 CYS 1 2HB CYS 1 2.160 -1.237 2.578 4 H THR 2 H THR 2 3.131 -0.934 -0.825 5 HA THR 2 HA THR 2 4.836 -3.224 -0.917 6 HB THR 2 HB THR 2 6.246 -0.875 -1.733 7 HG1 THR 2 1HG THR 2 4.509 -0.443 -3.452 8 HG21 THR 2 1HG2 THR 2 6.642 -3.005 -2.741 9 HG22 THR 2 2HG2 THR 2 5.968 -1.954 -3.987 10 HG23 THR 2 3HG2 THR 2 4.949 -3.163 -3.207 11 H ALA 3 H ALA 3 7.381 -2.305 -0.732 12 HA ALA 3 HA ALA 3 7.661 -1.233 1.988 13 HB1 ALA 3 1HB ALA 3 9.036 -2.942 2.729 14 HB2 ALA 3 2HB ALA 3 7.812 -3.809 1.803 15 HB3 ALA 3 3HB ALA 3 9.396 -3.500 1.095 16 H SER 4 H SER 4 8.009 0.129 -0.471 17 HA SER 4 HA SER 4 10.934 0.494 -0.529 18 HB3 SER 4 2HB SER 4 10.375 1.600 -2.822 19 HG SER 4 HG SER 4 9.880 -1.108 -3.034 20 H ILE 5 H ILE 5 11.560 2.774 -1.221 21 HA ILE 5 HA ILE 5 9.838 4.707 0.189 22 HB ILE 5 HB ILE 5 12.114 4.157 1.210 23 HG13 ILE 5 2HG1 ILE 5 12.265 6.292 2.108 24 HG21 ILE 5 1HG2 ILE 5 14.056 5.219 0.255 25 HG22 ILE 5 2HG2 ILE 5 13.336 4.143 -0.940 26 HG23 ILE 5 3HG2 ILE 5 13.089 5.884 -1.060 27 HD11 ILE 5 1HD1 ILE 5 11.645 8.361 0.901 28 HD12 ILE 5 2HD1 ILE 5 13.055 7.541 0.230 29 HD13 ILE 5 3HD1 ILE 5 11.491 7.408 -0.574 30 HA PRO 6 HA PRO 6 9.094 6.555 0.302 31 HB3 PRO 6 2HB PRO 6 8.265 8.512 -0.574 32 HG3 PRO 6 2HG PRO 6 8.012 8.786 -2.869 33 HD3 PRO 6 2HD PRO 6 10.188 8.029 -2.798 34 HA PRO 7 HA PRO 7 6.468 3.036 0.551 35 HB3 PRO 7 2HB PRO 7 6.005 3.633 2.721 36 HG3 PRO 7 2HG PRO 7 5.716 5.861 3.317 37 HD3 PRO 7 2HD PRO 7 7.699 6.017 2.156 38 H ILE 8 H ILE 8 5.021 2.064 -0.737 39 HA ILE 8 HA ILE 8 3.031 3.753 -2.106 40 HB ILE 8 HB ILE 8 4.792 1.585 -3.145 41 HG13 ILE 8 2HG1 ILE 8 4.103 4.371 -3.752 42 HG21 ILE 8 1HG2 ILE 8 1.970 2.094 -4.027 43 HG22 ILE 8 2HG2 ILE 8 3.182 1.434 -5.124 44 HG23 ILE 8 3HG2 ILE 8 2.750 0.558 -3.655 45 HD11 ILE 8 1HD1 ILE 8 6.444 2.701 -3.665 46 HD12 ILE 8 2HD1 ILE 8 6.379 3.634 -5.160 47 HD13 ILE 8 3HD1 ILE 8 6.308 4.457 -3.602 48 H CYS 9 H CYS 9 0.946 3.054 -2.202 49 HA CYS 9 HA CYS 9 0.337 0.435 -1.002 50 HB3 CYS 9 2HB CYS 9 -1.817 1.734 -0.199 51 H HIS 10 H HIS 10 -0.950 -0.811 -2.194 52 HA HIS 10 HA HIS 10 -2.523 0.461 -4.337 53 HB3 HIS 10 2HB HIS 10 -0.815 -0.717 -5.455 54 HD1 HIS 10 1HD HIS 10 1.084 -1.402 -3.750 55 HD2 HIS 10 2HD HIS 10 -1.897 -4.237 -4.323 56 HE1 HIS 10 1HE HIS 10 2.006 -3.546 -2.815 57 H DPN 11 H DPN 11 -3.289 -0.243 -1.572 58 HA DPN 11 HA DPN 11 -4.837 -2.585 -1.501 59 HB2 DPN 11 2HB DPN 11 -7.087 -1.151 -1.567 60 HB3 DPN 11 3HB DPN 11 -6.415 -1.902 -3.009 61 HD1 DPN 11 1HD DPN 11 -6.583 -0.581 -4.865 62 HD2 DPN 11 2HD DPN 11 -5.772 1.249 -1.109 63 HE1 DPN 11 1HE DPN 11 -6.480 1.618 -5.962 64 HE2 DPN 11 2HE DPN 11 -5.667 3.451 -2.201 65 HZ DPN 11 HZ DPN 11 -6.020 3.638 -4.631 66 HA MMO 12 HA NAR 12 -5.287 -0.857 2.482 67 HCB1 MMO 12 2HB NAR 12 -8.113 -1.552 1.770 68 HCB2 MMO 12 3HB NAR 12 -7.701 -1.191 3.441 69 HCG1 MMO 12 2HG NAR 12 -6.703 0.971 2.590 70 HCG2 MMO 12 3HG NAR 12 -7.481 0.608 1.048 71 HCD1 MMO 12 2HD NAR 12 -8.828 2.104 2.481 72 HCD2 MMO 12 3HD NAR 12 -9.652 0.593 2.093 73 HH21 MMO 12 1HH1 NAR 12 -11.024 1.970 3.160 74 HH22 MMO 12 2HH1 NAR 12 -11.905 2.028 4.650 75 HH11 MMO 12 1HH2 NAR 12 -9.445 0.375 6.505 76 HC1 MMO 12 2HN NAR 12 -5.569 -3.767 -0.152 77 HC2 MMO 12 3HN NAR 12 -7.044 -2.882 -0.608 78 HC3 MMO 12 H NAR 12 -6.931 -3.660 0.987 79 HE MMO 12 HE NAR 12 -8.294 0.306 4.536 80 HH12 MMO 12 2HH2 NAR 12 -11.005 1.121 6.552 81 HA E9M 13 HA NTR 13 -3.776 -1.848 1.950 82 HD1 E9M 13 1HD NTR 13 -4.553 -2.494 6.047 83 HB3 E9M 13 3HB NTR 13 -2.488 -0.565 3.401 84 HB2 E9M 13 2HB NTR 13 -2.286 -1.884 4.551 85 HE3 E9M 13 3HE NTR 13 -3.701 1.533 3.013 86 HE1 E9M 13 1HE NTR 13 -6.348 -0.898 6.971 87 HZ3 E9M 13 3HZ NTR 13 -5.088 3.544 3.306 88 HZ2 E9M 13 2HZ NTR 13 -7.281 1.721 6.481 89 HH2 E9M 13 2HH NTR 13 -6.841 3.634 5.003 90 HN3 E9M 13 3HN NTR 13 -4.232 -5.248 3.487 91 HN1 E9M 13 H NTR 13 -5.110 -4.510 4.848 92 HN2 E9M 13 2HN NTR 13 -3.359 -4.245 4.670 93 H ARG 14 H ARG 14 -3.074 -3.560 0.601 94 HA ARG 14 HA ARG 14 -1.316 -5.592 1.230 95 HB3 ARG 14 2HB ARG 14 -0.565 -5.283 -1.245 96 HG3 ARG 14 2HG ARG 14 -3.378 -5.879 -0.400 97 HD3 ARG 14 2HD ARG 14 -3.208 -4.989 -2.786 98 HE ARG 14 HE ARG 14 -1.186 -6.860 -3.055 99 HH11 ARG 14 1HH1 ARG 14 -4.169 -6.050 -4.654 100 HH12 ARG 14 2HH1 ARG 14 -3.638 -6.605 -6.208 101 HH21 ARG 14 1HH2 ARG 14 -0.475 -7.594 -5.094 102 HH22 ARG 14 2HH2 ARG 14 -1.538 -7.484 -6.457 Start of MODEL 21 1 H1 CYS 1 H CYS 1 1.463 -2.684 1.466 2 HA CYS 1 HA CYS 1 2.056 -1.286 -0.936 3 HB3 CYS 1 2HB CYS 1 4.318 -0.949 0.242 4 H THR 2 H THR 2 4.162 -1.522 -2.093 5 HA THR 2 HA THR 2 5.382 -4.134 -2.118 6 HB THR 2 HB THR 2 3.331 -4.485 -3.490 7 HG1 THR 2 1HG THR 2 4.506 -5.415 -5.250 8 HG21 THR 2 1HG2 THR 2 2.680 -2.969 -4.985 9 HG22 THR 2 2HG2 THR 2 4.183 -3.188 -5.880 10 HG23 THR 2 3HG2 THR 2 4.090 -1.984 -4.595 11 H ALA 3 H ALA 3 6.178 -1.342 -1.762 12 HA ALA 3 HA ALA 3 8.448 -1.366 -3.544 13 HB1 ALA 3 1HB ALA 3 7.920 0.296 -4.934 14 HB2 ALA 3 2HB ALA 3 6.254 0.048 -4.411 15 HB3 ALA 3 3HB ALA 3 7.245 1.282 -3.636 16 H SER 4 H SER 4 10.121 0.088 -2.894 17 HA SER 4 HA SER 4 10.192 0.495 -0.058 18 HB3 SER 4 2HB SER 4 12.480 1.368 -0.489 19 HG SER 4 HG SER 4 11.927 -0.992 -1.964 20 H ILE 5 H ILE 5 11.100 2.643 0.785 21 HA ILE 5 HA ILE 5 9.200 4.628 0.553 22 HB ILE 5 HB ILE 5 10.801 4.529 2.403 23 HG13 ILE 5 2HG1 ILE 5 10.278 6.979 0.842 24 HG21 ILE 5 1HG2 ILE 5 12.712 4.268 0.465 25 HG22 ILE 5 2HG2 ILE 5 12.956 5.926 1.014 26 HG23 ILE 5 3HG2 ILE 5 13.025 4.597 2.169 27 HD11 ILE 5 1HD1 ILE 5 8.735 7.156 2.412 28 HD12 ILE 5 2HD1 ILE 5 9.435 5.813 3.317 29 HD13 ILE 5 3HD1 ILE 5 10.022 7.455 3.581 30 HA PRO 6 HA PRO 6 8.426 6.507 0.361 31 HB3 PRO 6 2HB PRO 6 7.853 8.377 -0.848 32 HG3 PRO 6 2HG PRO 6 8.303 8.517 -3.125 33 HD3 PRO 6 2HD PRO 6 10.373 7.862 -2.351 34 HA PRO 7 HA PRO 7 6.499 2.537 -0.146 35 HB3 PRO 7 2HB PRO 7 6.430 2.458 2.149 36 HG3 PRO 7 2HG PRO 7 6.184 4.397 3.408 37 HD3 PRO 7 2HD PRO 7 7.912 5.040 2.025 38 H ILE 8 H ILE 8 5.018 1.999 -1.611 39 HA ILE 8 HA ILE 8 2.639 3.715 -1.908 40 HB ILE 8 HB ILE 8 3.941 3.946 -3.890 41 HG13 ILE 8 2HG1 ILE 8 2.270 3.567 -5.393 42 HG21 ILE 8 1HG2 ILE 8 4.581 1.937 -5.247 43 HG22 ILE 8 2HG2 ILE 8 5.440 2.107 -3.717 44 HG23 ILE 8 3HG2 ILE 8 4.125 0.941 -3.865 45 HD11 ILE 8 1HD1 ILE 8 0.879 1.420 -5.353 46 HD12 ILE 8 2HD1 ILE 8 2.529 1.333 -5.973 47 HD13 ILE 8 3HD1 ILE 8 2.169 0.769 -4.341 48 H CYS 9 H CYS 9 0.720 2.788 -1.611 49 HA CYS 9 HA CYS 9 0.593 -0.157 -1.571 50 HB3 CYS 9 2HB CYS 9 -1.388 0.228 -0.006 51 H HIS 10 H HIS 10 -1.134 -1.181 -2.546 52 HA HIS 10 HA HIS 10 -2.841 0.537 -4.226 53 HB3 HIS 10 2HB HIS 10 -1.289 -0.731 -5.597 54 HD1 HIS 10 1HD HIS 10 0.336 -2.241 -4.155 55 HD2 HIS 10 2HD HIS 10 -3.280 -4.004 -5.194 56 HE1 HIS 10 1HE HIS 10 0.645 -4.702 -3.740 57 H DPN 11 H DPN 11 -3.453 -0.269 -1.541 58 HA DPN 11 HA DPN 11 -5.158 -2.502 -1.430 59 HB2 DPN 11 2HB DPN 11 -7.306 -1.634 -1.740 60 HB3 DPN 11 3HB DPN 11 -6.385 -0.901 -3.049 61 HD1 DPN 11 1HD DPN 11 -5.052 1.335 -1.928 62 HD2 DPN 11 2HD DPN 11 -8.916 -0.187 -0.991 63 HE1 DPN 11 1HE DPN 11 -5.743 3.569 -1.165 64 HE2 DPN 11 2HE DPN 11 -9.612 2.045 -0.226 65 HZ DPN 11 HZ DPN 11 -8.025 3.927 -0.310 66 HA MMO 12 HA NAR 12 -5.182 -0.839 2.627 67 HCB1 MMO 12 2HB NAR 12 -7.866 -2.190 2.420 68 HCB2 MMO 12 3HB NAR 12 -7.269 -1.538 3.939 69 HCG1 MMO 12 2HG NAR 12 -6.936 0.645 2.575 70 HCG2 MMO 12 3HG NAR 12 -8.076 -0.101 1.452 71 HCD1 MMO 12 2HD NAR 12 -9.662 -0.396 3.327 72 HCD2 MMO 12 3HD NAR 12 -8.533 0.451 4.380 73 HH21 MMO 12 1HH1 NAR 12 -10.375 1.001 5.195 74 HH22 MMO 12 2HH1 NAR 12 -11.384 2.395 5.398 75 HH11 MMO 12 1HH2 NAR 12 -10.504 3.835 2.335 76 HC1 MMO 12 2HN NAR 12 -5.518 -3.787 -0.010 77 HC2 MMO 12 3HN NAR 12 -7.045 -2.934 -0.339 78 HC3 MMO 12 H NAR 12 -6.796 -3.740 1.228 79 HE MMO 12 HE NAR 12 -9.179 1.995 2.079 80 HH12 MMO 12 2HH2 NAR 12 -11.457 4.005 3.770 81 HA E9M 13 HA NTR 13 -3.572 -1.429 1.928 82 HD1 E9M 13 1HD NTR 13 -3.700 -2.358 6.064 83 HB3 E9M 13 3HB NTR 13 -2.572 0.126 3.317 84 HB2 E9M 13 2HB NTR 13 -1.879 -1.104 4.371 85 HE3 E9M 13 3HE NTR 13 -4.351 1.809 3.175 86 HE1 E9M 13 1HE NTR 13 -5.747 -1.350 7.257 87 HZ3 E9M 13 3HZ NTR 13 -6.196 3.344 3.719 88 HZ2 E9M 13 2HZ NTR 13 -7.416 0.913 7.006 89 HH2 E9M 13 2HH NTR 13 -7.696 2.903 5.594 90 HN3 E9M 13 3HN NTR 13 -2.496 -3.669 4.696 91 HN1 E9M 13 H NTR 13 -2.812 -4.739 3.309 92 HN2 E9M 13 2HN NTR 13 -4.023 -4.581 4.605 93 H ARG 14 H ARG 14 -2.714 -3.557 0.876 94 HA ARG 14 HA ARG 14 -0.084 -4.413 1.435 95 HB3 ARG 14 2HB ARG 14 -0.207 -5.300 -0.963 96 HG3 ARG 14 2HG ARG 14 -2.281 -6.784 -0.387 97 HD3 ARG 14 2HD ARG 14 0.231 -6.762 1.281 98 HE ARG 14 HE ARG 14 -1.927 -8.516 1.493 99 HH11 ARG 14 1HH1 ARG 14 1.518 -8.623 1.005 100 HH12 ARG 14 2HH1 ARG 14 1.707 -10.174 1.753 101 HH21 ARG 14 1HH2 ARG 14 -1.691 -10.559 2.480 102 HH22 ARG 14 2HH2 ARG 14 -0.120 -11.276 2.590 Start of MODEL 22 1 H1 CYS 1 H CYS 1 1.107 -3.982 1.751 2 HA CYS 1 HA CYS 1 1.243 -1.530 0.127 3 HB3 CYS 1 2HB CYS 1 2.637 -0.845 2.310 4 H THR 2 H THR 2 3.518 -0.513 0.217 5 HA THR 2 HA THR 2 5.467 -2.632 -0.402 6 HB THR 2 HB THR 2 5.083 0.119 -1.552 7 HG1 THR 2 1HG THR 2 5.379 -2.494 -2.653 8 HG21 THR 2 1HG2 THR 2 7.575 -1.572 -1.598 9 HG22 THR 2 2HG2 THR 2 7.412 0.113 -1.102 10 HG23 THR 2 3HG2 THR 2 7.242 -0.325 -2.801 11 H ALA 3 H ALA 3 7.660 -2.328 0.204 12 HA ALA 3 HA ALA 3 7.946 -0.877 2.707 13 HB1 ALA 3 1HB ALA 3 8.735 -3.268 2.313 14 HB2 ALA 3 2HB ALA 3 10.062 -2.556 1.393 15 HB3 ALA 3 3HB ALA 3 9.865 -2.167 3.102 16 H SER 4 H SER 4 9.261 -0.850 -0.563 17 HA SER 4 HA SER 4 11.408 0.828 -0.319 18 HB3 SER 4 2HB SER 4 9.503 1.305 -2.581 19 HG SER 4 HG SER 4 12.043 0.572 -3.158 20 H ILE 5 H ILE 5 11.631 3.139 -0.824 21 HA ILE 5 HA ILE 5 9.416 4.691 0.346 22 HB ILE 5 HB ILE 5 11.482 4.690 1.704 23 HG13 ILE 5 2HG1 ILE 5 10.355 7.168 0.486 24 HG21 ILE 5 1HG2 ILE 5 13.514 5.633 0.942 25 HG22 ILE 5 2HG2 ILE 5 13.002 4.492 -0.299 26 HG23 ILE 5 3HG2 ILE 5 12.768 6.222 -0.543 27 HD11 ILE 5 1HD1 ILE 5 9.243 5.962 2.369 28 HD12 ILE 5 2HD1 ILE 5 10.627 6.393 3.375 29 HD13 ILE 5 3HD1 ILE 5 9.612 7.658 2.683 30 HA PRO 6 HA PRO 6 8.482 6.516 0.454 31 HB3 PRO 6 2HB PRO 6 7.465 8.353 -0.479 32 HG3 PRO 6 2HG PRO 6 7.284 8.581 -2.786 33 HD3 PRO 6 2HD PRO 6 9.531 8.090 -2.610 34 HA PRO 7 HA PRO 7 6.272 2.718 0.634 35 HB3 PRO 7 2HB PRO 7 5.616 3.284 2.761 36 HG3 PRO 7 2HG PRO 7 5.027 5.470 3.293 37 HD3 PRO 7 2HD PRO 7 7.043 5.847 2.242 38 H ILE 8 H ILE 8 5.541 1.939 -1.263 39 HA ILE 8 HA ILE 8 3.410 3.264 -2.710 40 HB ILE 8 HB ILE 8 5.276 1.020 -3.286 41 HG13 ILE 8 2HG1 ILE 8 4.647 3.688 -4.279 42 HG21 ILE 8 1HG2 ILE 8 2.525 1.284 -4.434 43 HG22 ILE 8 2HG2 ILE 8 3.841 0.606 -5.390 44 HG23 ILE 8 3HG2 ILE 8 3.367 -0.161 -3.876 45 HD11 ILE 8 1HD1 ILE 8 6.975 2.639 -5.481 46 HD12 ILE 8 2HD1 ILE 8 6.847 3.815 -4.172 47 HD13 ILE 8 3HD1 ILE 8 6.944 2.093 -3.804 48 H CYS 9 H CYS 9 1.374 2.954 -2.114 49 HA CYS 9 HA CYS 9 0.583 0.293 -1.128 50 HB3 CYS 9 2HB CYS 9 -1.440 1.669 -0.228 51 H HIS 10 H HIS 10 -1.065 -0.785 -2.088 52 HA HIS 10 HA HIS 10 -2.539 0.576 -4.237 53 HB3 HIS 10 2HB HIS 10 -0.785 -0.703 -5.323 54 HD1 HIS 10 1HD HIS 10 0.991 -2.301 -4.727 55 HD2 HIS 10 2HD HIS 10 -2.758 -3.678 -3.581 56 HE1 HIS 10 1HE HIS 10 1.387 -4.574 -3.727 57 H DPN 11 H DPN 11 -3.290 -0.072 -1.504 58 HA DPN 11 HA DPN 11 -4.897 -2.382 -1.381 59 HB2 DPN 11 2HB DPN 11 -7.091 -1.534 -1.756 60 HB3 DPN 11 3HB DPN 11 -6.129 -1.046 -3.147 61 HD1 DPN 11 1HD DPN 11 -4.917 1.333 -2.753 62 HD2 DPN 11 2HD DPN 11 -8.529 0.030 -0.917 63 HE1 DPN 11 1HE DPN 11 -5.570 3.676 -2.385 64 HE2 DPN 11 2HE DPN 11 -9.188 2.371 -0.543 65 HZ DPN 11 HZ DPN 11 -7.708 4.198 -1.279 66 HA MMO 12 HA NAR 12 -5.097 -0.663 2.622 67 HCB1 MMO 12 2HB NAR 12 -7.929 -1.455 2.051 68 HCB2 MMO 12 3HB NAR 12 -7.449 -1.085 3.702 69 HCG1 MMO 12 2HG NAR 12 -6.455 1.075 2.549 70 HCG2 MMO 12 3HG NAR 12 -7.692 0.701 1.347 71 HCD1 MMO 12 2HD NAR 12 -8.052 1.281 4.277 72 HCD2 MMO 12 3HD NAR 12 -8.699 2.174 2.902 73 HH21 MMO 12 1HH1 NAR 12 -9.671 1.798 1.254 74 HH22 MMO 12 2HH1 NAR 12 -11.196 1.247 0.643 75 HH11 MMO 12 1HH2 NAR 12 -11.796 -0.945 3.300 76 HC1 MMO 12 2HN NAR 12 -6.866 -2.815 -0.395 77 HC2 MMO 12 3HN NAR 12 -6.696 -3.538 1.222 78 HC3 MMO 12 H NAR 12 -5.341 -3.607 0.071 79 HE MMO 12 HE NAR 12 -9.788 -0.211 4.095 80 HH12 MMO 12 2HH2 NAR 12 -12.404 -0.312 1.807 81 HA E9M 13 HA NTR 13 -3.591 -1.622 1.985 82 HD1 E9M 13 1HD NTR 13 -3.995 -2.290 6.160 83 HB3 E9M 13 3HB NTR 13 -2.250 -0.298 3.342 84 HB2 E9M 13 2HB NTR 13 -1.910 -1.613 4.464 85 HE3 E9M 13 3HE NTR 13 -3.604 1.734 3.032 86 HE1 E9M 13 1HE NTR 13 -5.775 -0.769 7.229 87 HZ3 E9M 13 3HZ NTR 13 -5.054 3.682 3.431 88 HZ2 E9M 13 2HZ NTR 13 -6.869 1.798 6.801 89 HH2 E9M 13 2HH NTR 13 -6.652 3.711 5.277 90 HN3 E9M 13 3HN NTR 13 -2.882 -4.046 4.577 91 HN1 E9M 13 H NTR 13 -3.978 -5.044 3.590 92 HN2 E9M 13 2HN NTR 13 -4.588 -4.229 5.051 93 H ARG 14 H ARG 14 -3.088 -3.592 0.743 94 HA ARG 14 HA ARG 14 -0.872 -5.229 1.423 95 HB3 ARG 14 2HB ARG 14 -1.021 -5.591 -1.222 96 HG3 ARG 14 2HG ARG 14 -3.038 -7.101 -0.813 97 HD3 ARG 14 2HD ARG 14 -0.440 -7.527 -0.448 98 HE ARG 14 HE ARG 14 -1.235 -7.107 2.194 99 HH11 ARG 14 1HH1 ARG 14 0.417 -9.507 0.289 100 HH12 ARG 14 2HH1 ARG 14 1.389 -10.073 1.607 101 HH21 ARG 14 1HH2 ARG 14 0.037 -7.845 3.938 102 HH22 ARG 14 2HH2 ARG 14 1.170 -9.128 3.682 Start of MODEL 23 1 H1 CYS 1 H CYS 1 0.722 -2.724 1.752 2 HA CYS 1 HA CYS 1 1.741 -1.321 -0.533 3 HB3 CYS 1 2HB CYS 1 3.244 -0.244 1.019 4 H THR 2 H THR 2 4.096 -1.294 -1.038 5 HA THR 2 HA THR 2 5.134 -4.046 -1.054 6 HB THR 2 HB THR 2 4.648 -2.876 -3.262 7 HG1 THR 2 1HG THR 2 6.064 -4.272 -3.972 8 HG21 THR 2 1HG2 THR 2 5.883 -1.093 -3.986 9 HG22 THR 2 2HG2 THR 2 7.276 -1.513 -2.990 10 HG23 THR 2 3HG2 THR 2 5.870 -0.741 -2.258 11 H ALA 3 H ALA 3 5.473 -1.593 0.869 12 HA ALA 3 HA ALA 3 7.115 -0.676 2.159 13 HB1 ALA 3 1HB ALA 3 8.995 -2.248 2.719 14 HB2 ALA 3 2HB ALA 3 7.371 -2.892 2.973 15 HB3 ALA 3 3HB ALA 3 8.299 -3.375 1.553 16 H SER 4 H SER 4 7.257 0.607 -0.083 17 HA SER 4 HA SER 4 10.046 0.473 -1.018 18 HB3 SER 4 2HB SER 4 7.682 1.802 -2.366 19 HG SER 4 HG SER 4 9.299 1.504 -4.175 20 H ILE 5 H ILE 5 10.776 2.755 -1.844 21 HA ILE 5 HA ILE 5 10.060 4.758 0.196 22 HB ILE 5 HB ILE 5 12.316 3.636 0.547 23 HG13 ILE 5 2HG1 ILE 5 13.434 5.786 1.076 24 HG21 ILE 5 1HG2 ILE 5 13.363 5.423 -1.596 25 HG22 ILE 5 2HG2 ILE 5 14.075 3.973 -0.891 26 HG23 ILE 5 3HG2 ILE 5 12.736 3.833 -2.030 27 HD11 ILE 5 1HD1 ILE 5 11.074 7.264 0.018 28 HD12 ILE 5 2HD1 ILE 5 12.679 7.858 0.446 29 HD13 ILE 5 3HD1 ILE 5 12.448 6.930 -1.035 30 HA PRO 6 HA PRO 6 9.134 6.385 0.429 31 HB3 PRO 6 2HB PRO 6 8.235 8.418 -0.152 32 HG3 PRO 6 2HG PRO 6 7.797 8.945 -2.374 33 HD3 PRO 6 2HD PRO 6 9.974 8.209 -2.562 34 HA PRO 7 HA PRO 7 6.561 2.820 0.478 35 HB3 PRO 7 2HB PRO 7 6.308 3.136 2.740 36 HG3 PRO 7 2HG PRO 7 6.076 5.272 3.634 37 HD3 PRO 7 2HD PRO 7 7.941 5.593 2.318 38 H ILE 8 H ILE 8 5.043 2.020 -0.835 39 HA ILE 8 HA ILE 8 2.865 3.806 -1.705 40 HB ILE 8 HB ILE 8 2.957 2.988 -3.895 41 HG13 ILE 8 2HG1 ILE 8 3.113 0.615 -3.433 42 HG21 ILE 8 1HG2 ILE 8 5.836 3.121 -3.007 43 HG22 ILE 8 2HG2 ILE 8 5.222 3.408 -4.636 44 HG23 ILE 8 3HG2 ILE 8 4.806 4.516 -3.328 45 HD11 ILE 8 1HD1 ILE 8 4.403 1.782 -5.559 46 HD12 ILE 8 2HD1 ILE 8 5.611 0.681 -4.898 47 HD13 ILE 8 3HD1 ILE 8 4.028 0.069 -5.377 48 H CYS 9 H CYS 9 0.818 2.964 -1.843 49 HA CYS 9 HA CYS 9 0.480 0.171 -0.968 50 HB3 CYS 9 2HB CYS 9 -1.557 0.890 0.243 51 H HIS 10 H HIS 10 -0.787 -1.061 -2.210 52 HA HIS 10 HA HIS 10 -2.375 0.275 -4.302 53 HB3 HIS 10 2HB HIS 10 -0.538 -1.009 -5.247 54 HD1 HIS 10 1HD HIS 10 1.179 -2.676 -4.675 55 HD2 HIS 10 2HD HIS 10 -2.599 -3.884 -3.436 56 HE1 HIS 10 1HE HIS 10 1.514 -4.914 -3.577 57 H DPN 11 H DPN 11 -3.220 -0.388 -1.568 58 HA DPN 11 HA DPN 11 -4.804 -2.693 -1.470 59 HB2 DPN 11 2HB DPN 11 -7.056 -1.376 -1.704 60 HB3 DPN 11 3HB DPN 11 -6.246 -1.991 -3.143 61 HD1 DPN 11 1HD DPN 11 -6.106 -0.568 -4.929 62 HD2 DPN 11 2HD DPN 11 -6.194 1.068 -1.002 63 HE1 DPN 11 1HE DPN 11 -6.070 1.701 -5.879 64 HE2 DPN 11 2HE DPN 11 -6.157 3.340 -1.944 65 HZ DPN 11 HZ DPN 11 -6.096 3.659 -4.385 66 HA MMO 12 HA NAR 12 -5.378 -0.791 2.418 67 HCB1 MMO 12 2HB NAR 12 -8.141 -1.571 1.613 68 HCB2 MMO 12 3HB NAR 12 -7.830 -1.254 3.314 69 HCG1 MMO 12 2HG NAR 12 -6.865 0.964 2.604 70 HCG2 MMO 12 3HG NAR 12 -7.514 0.630 0.997 71 HCD1 MMO 12 2HD NAR 12 -9.011 2.035 2.375 72 HCD2 MMO 12 3HD NAR 12 -9.755 0.517 1.870 73 HH21 MMO 12 1HH1 NAR 12 -11.397 1.298 2.728 74 HH22 MMO 12 2HH1 NAR 12 -12.440 1.106 4.098 75 HH11 MMO 12 1HH2 NAR 12 -9.886 0.102 6.264 76 HC1 MMO 12 2HN NAR 12 -6.964 -3.013 -0.636 77 HC2 MMO 12 3HN NAR 12 -6.920 -3.698 1.006 78 HC3 MMO 12 H NAR 12 -5.499 -3.841 -0.055 79 HE MMO 12 HE NAR 12 -8.523 0.359 4.453 80 HH12 MMO 12 2HH2 NAR 12 -11.579 0.426 6.109 81 HA E9M 13 HA NTR 13 -3.832 -1.741 1.955 82 HD1 E9M 13 1HD NTR 13 -4.580 -2.207 6.104 83 HB3 E9M 13 3HB NTR 13 -2.519 -0.422 3.366 84 HB2 E9M 13 2HB NTR 13 -2.346 -1.703 4.565 85 HE3 E9M 13 3HE NTR 13 -3.791 1.622 2.809 86 HE1 E9M 13 1HE NTR 13 -6.400 -0.580 6.924 87 HZ3 E9M 13 3HZ NTR 13 -5.209 3.627 2.968 88 HZ2 E9M 13 2HZ NTR 13 -7.372 1.987 6.261 89 HH2 E9M 13 2HH NTR 13 -6.961 3.803 4.660 90 HN3 E9M 13 3HN NTR 13 -3.395 -3.989 4.817 91 HN1 E9M 13 H NTR 13 -4.136 -5.090 3.631 92 HN2 E9M 13 2HN NTR 13 -5.133 -4.360 4.912 93 H ARG 14 H ARG 14 -2.713 -2.885 0.502 94 HA ARG 14 HA ARG 14 -0.592 -4.680 1.468 95 HB3 ARG 14 2HB ARG 14 -0.730 -5.733 -0.781 96 HG3 ARG 14 2HG ARG 14 -3.314 -5.620 0.758 97 HD3 ARG 14 2HD ARG 14 -3.234 -6.469 -1.760 98 HE ARG 14 HE ARG 14 -1.734 -8.489 -0.442 99 HH11 ARG 14 1HH1 ARG 14 -4.221 -7.995 -2.829 100 HH12 ARG 14 2HH1 ARG 14 -3.868 -9.458 -3.688 101 HH21 ARG 14 1HH2 ARG 14 -1.260 -10.416 -1.565 102 HH22 ARG 14 2HH2 ARG 14 -2.184 -10.834 -2.967 Start of MODEL 24 1 H1 CYS 1 H CYS 1 1.389 -2.617 1.375 2 HA CYS 1 HA CYS 1 2.198 -1.198 -0.934 3 HB3 CYS 1 2HB CYS 1 4.336 -0.845 0.451 4 H THR 2 H THR 2 4.192 -1.419 -2.112 5 HA THR 2 HA THR 2 5.664 -3.889 -1.974 6 HB THR 2 HB THR 2 3.613 -4.523 -3.272 7 HG1 THR 2 1HG THR 2 5.984 -4.580 -4.846 8 HG21 THR 2 1HG2 THR 2 4.528 -3.268 -5.734 9 HG22 THR 2 2HG2 THR 2 4.000 -2.091 -4.531 10 HG23 THR 2 3HG2 THR 2 2.904 -3.370 -5.056 11 H ALA 3 H ALA 3 6.003 -0.900 -1.988 12 HA ALA 3 HA ALA 3 8.180 -0.847 -3.950 13 HB1 ALA 3 1HB ALA 3 6.028 0.350 -4.733 14 HB2 ALA 3 2HB ALA 3 6.495 1.595 -3.573 15 HB3 ALA 3 3HB ALA 3 7.576 1.178 -4.901 16 H SER 4 H SER 4 9.993 0.254 -3.309 17 HA SER 4 HA SER 4 10.403 0.614 -0.542 18 HB3 SER 4 2HB SER 4 12.580 1.696 -1.300 19 HG SER 4 HG SER 4 11.978 -0.731 -1.179 20 H ILE 5 H ILE 5 11.227 2.655 0.447 21 HA ILE 5 HA ILE 5 9.315 4.635 0.497 22 HB ILE 5 HB ILE 5 11.264 4.235 2.122 23 HG13 ILE 5 2HG1 ILE 5 10.919 6.326 3.090 24 HG21 ILE 5 1HG2 ILE 5 12.611 6.200 0.273 25 HG22 ILE 5 2HG2 ILE 5 13.242 5.589 1.802 26 HG23 ILE 5 3HG2 ILE 5 13.041 4.498 0.432 27 HD11 ILE 5 1HD1 ILE 5 10.120 8.276 1.533 28 HD12 ILE 5 2HD1 ILE 5 11.835 7.963 1.793 29 HD13 ILE 5 3HD1 ILE 5 11.049 7.394 0.321 30 HA PRO 6 HA PRO 6 8.466 6.470 0.483 31 HB3 PRO 6 2HB PRO 6 7.780 8.413 -0.533 32 HG3 PRO 6 2HG PRO 6 8.133 8.770 -2.803 33 HD3 PRO 6 2HD PRO 6 10.254 8.126 -2.169 34 HA PRO 7 HA PRO 7 6.634 2.499 -0.286 35 HB3 PRO 7 2HB PRO 7 6.616 2.246 1.998 36 HG3 PRO 7 2HG PRO 7 6.337 4.076 3.406 37 HD3 PRO 7 2HD PRO 7 8.013 4.876 2.041 38 H ILE 8 H ILE 8 5.163 2.056 -1.791 39 HA ILE 8 HA ILE 8 2.766 3.757 -1.969 40 HB ILE 8 HB ILE 8 4.498 3.493 -3.937 41 HG13 ILE 8 2HG1 ILE 8 2.665 3.891 -5.539 42 HG21 ILE 8 1HG2 ILE 8 2.674 1.162 -4.488 43 HG22 ILE 8 2HG2 ILE 8 4.045 1.710 -5.448 44 HG23 ILE 8 3HG2 ILE 8 4.313 0.992 -3.860 45 HD11 ILE 8 1HD1 ILE 8 1.152 2.166 -4.125 46 HD12 ILE 8 2HD1 ILE 8 0.559 3.708 -3.509 47 HD13 ILE 8 3HD1 ILE 8 0.510 3.372 -5.240 48 H CYS 9 H CYS 9 0.843 2.873 -1.588 49 HA CYS 9 HA CYS 9 0.676 -0.059 -1.405 50 HB3 CYS 9 2HB CYS 9 -1.456 0.539 -0.052 51 H HIS 10 H HIS 10 -1.160 -1.136 -2.234 52 HA HIS 10 HA HIS 10 -2.749 0.415 -4.167 53 HB3 HIS 10 2HB HIS 10 -1.357 -0.714 -5.632 54 HD1 HIS 10 1HD HIS 10 -2.176 -4.153 -4.694 55 HD2 HIS 10 2HD HIS 10 0.955 -1.498 -4.063 56 HE1 HIS 10 1HE HIS 10 -0.245 -5.564 -3.913 57 H DPN 11 H DPN 11 -3.461 -0.301 -1.490 58 HA DPN 11 HA DPN 11 -5.052 -2.616 -1.356 59 HB2 DPN 11 2HB DPN 11 -7.225 -1.877 -1.812 60 HB3 DPN 11 3HB DPN 11 -6.274 -1.157 -3.108 61 HD1 DPN 11 1HD DPN 11 -5.107 1.188 -1.994 62 HD2 DPN 11 2HD DPN 11 -8.951 -0.480 -1.250 63 HE1 DPN 11 1HE DPN 11 -5.949 3.415 -1.373 64 HE2 DPN 11 2HE DPN 11 -9.798 1.743 -0.625 65 HZ DPN 11 HZ DPN 11 -8.298 3.694 -0.686 66 HA MMO 12 HA NAR 12 -5.275 -0.857 2.638 67 HCB1 MMO 12 2HB NAR 12 -8.059 -1.884 2.180 68 HCB2 MMO 12 3HB NAR 12 -7.549 -1.378 3.785 69 HCG1 MMO 12 2HG NAR 12 -6.788 0.787 2.508 70 HCG2 MMO 12 3HG NAR 12 -7.989 0.243 1.334 71 HCD1 MMO 12 2HD NAR 12 -8.391 0.949 4.228 72 HCD2 MMO 12 3HD NAR 12 -9.125 1.697 2.810 73 HH21 MMO 12 1HH1 NAR 12 -10.078 1.154 1.210 74 HH22 MMO 12 2HH1 NAR 12 -11.551 0.434 0.649 75 HH11 MMO 12 1HH2 NAR 12 -11.918 -1.667 3.419 76 HC1 MMO 12 2HN NAR 12 -5.486 -3.841 0.085 77 HC2 MMO 12 3HN NAR 12 -7.023 -3.056 -0.342 78 HC3 MMO 12 H NAR 12 -6.816 -3.790 1.266 79 HE MMO 12 HE NAR 12 -9.978 -0.712 4.146 80 HH12 MMO 12 2HH2 NAR 12 -12.597 -1.169 1.907 81 HA E9M 13 HA NTR 13 -3.710 -1.670 2.027 82 HD1 E9M 13 1HD NTR 13 -4.050 -2.373 6.213 83 HB3 E9M 13 3HB NTR 13 -2.498 -0.236 3.391 84 HB2 E9M 13 2HB NTR 13 -2.043 -1.518 4.510 85 HE3 E9M 13 3HE NTR 13 -4.043 1.656 3.068 86 HE1 E9M 13 1HE NTR 13 -5.964 -1.022 7.277 87 HZ3 E9M 13 3HZ NTR 13 -5.670 3.461 3.459 88 HZ2 E9M 13 2HZ NTR 13 -7.296 1.428 6.840 89 HH2 E9M 13 2HH NTR 13 -7.263 3.347 5.306 90 HN3 E9M 13 3HN NTR 13 -3.410 -4.991 3.585 91 HN1 E9M 13 H NTR 13 -4.652 -4.619 4.806 92 HN2 E9M 13 2HN NTR 13 -3.029 -3.897 4.935 93 H ARG 14 H ARG 14 -2.489 -2.538 0.488 94 HA ARG 14 HA ARG 14 -0.202 -4.213 1.286 95 HB3 ARG 14 2HB ARG 14 -1.575 -5.588 -0.012 96 HG3 ARG 14 2HG ARG 14 -1.910 -3.427 -2.077 97 HD3 ARG 14 2HD ARG 14 -3.430 -5.995 -1.665 98 HE ARG 14 HE ARG 14 -3.741 -3.835 -3.542 99 HH11 ARG 14 1HH1 ARG 14 -4.236 -7.232 -2.961 100 HH12 ARG 14 2HH1 ARG 14 -5.519 -7.376 -4.116 101 HH21 ARG 14 1HH2 ARG 14 -5.432 -4.012 -5.064 102 HH22 ARG 14 2HH2 ARG 14 -6.198 -5.544 -5.312
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