NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
647158 | 6knp | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 -0.348 1.377 -2.588 2 H2 GLY 1 HT2 GLY 1 0.459 0.224 -1.649 3 H3 GLY 1 HT3 GLY 1 1.137 0.761 -3.102 4 HA2 GLY 1 HA1 GLY 1 0.671 2.457 -0.728 5 HA3 GLY 1 HA2 GLY 1 2.216 1.748 -1.171 6 H PHE 2 HN PHE 2 2.483 4.268 -0.970 7 HA PHE 2 HA PHE 2 2.459 5.291 -3.700 8 HB2 PHE 2 HB2 PHE 2 1.569 6.825 -1.252 9 HB3 PHE 2 HB1 PHE 2 1.966 7.576 -2.790 10 HD1 PHE 2 HD1 PHE 2 -0.533 5.817 -0.874 11 HD2 PHE 2 HD2 PHE 2 0.556 7.088 -4.786 12 HE1 PHE 2 HE1 PHE 2 -2.851 5.489 -1.621 13 HE2 PHE 2 HE2 PHE 2 -1.762 6.761 -5.541 14 HZ PHE 2 HZ PHE 2 -3.469 5.959 -3.956 15 H ARG 3 HN ARG 3 4.619 4.751 -3.760 16 HA ARG 3 HA ARG 3 6.330 6.387 -2.024 17 HB2 ARG 3 HB2 ARG 3 7.047 3.924 -3.591 18 HB3 ARG 3 HB1 ARG 3 8.153 4.858 -2.600 19 HG2 ARG 3 HG2 ARG 3 6.813 4.356 -0.608 20 HG3 ARG 3 HG1 ARG 3 5.725 3.382 -1.597 21 HD2 ARG 3 HD2 ARG 3 8.672 2.860 -1.436 22 HD3 ARG 3 HD1 ARG 3 7.529 2.150 -0.299 23 HE ARG 3 HE ARG 3 6.435 1.353 -2.542 24 HH11 ARG 3 HH11 ARG 3 9.851 1.474 -1.749 25 HH12 ARG 3 HH12 ARG 3 10.266 0.121 -2.739 26 HH21 ARG 3 HH21 ARG 3 6.992 -0.455 -3.872 27 HH22 ARG 3 HH22 ARG 3 8.638 -0.985 -3.930 28 H SER 4 HN SER 4 6.114 8.259 -3.262 29 HA SER 4 HA SER 4 7.090 8.218 -5.988 30 HB2 SER 4 HB2 SER 4 6.220 10.540 -4.249 31 HB3 SER 4 HB1 SER 4 6.515 10.605 -5.989 32 HG SER 4 HG SER 4 4.852 8.797 -5.984 33 HA PRO 5 HA PRO 5 11.296 9.184 -4.872 34 HB2 PRO 5 HB2 PRO 5 11.604 10.766 -7.315 35 HB3 PRO 5 HB1 PRO 5 12.315 9.203 -6.911 36 HG2 PRO 5 HG2 PRO 5 10.407 9.466 -8.802 37 HG3 PRO 5 HG1 PRO 5 10.539 8.020 -7.786 38 HD2 PRO 5 HD2 PRO 5 8.675 10.354 -7.527 39 HD3 PRO 5 HD1 PRO 5 8.338 8.616 -7.370 40 H CYS 6 HN CYS 6 9.302 11.034 -3.898 41 HA CYS 6 HA CYS 6 11.017 13.229 -3.226 42 HB2 CYS 6 HB2 CYS 6 9.363 14.943 -3.932 43 HB3 CYS 6 HB1 CYS 6 10.156 14.150 -5.294 44 H ALA 7 HN ALA 7 9.790 11.109 -1.842 45 HA ALA 7 HA ALA 7 7.548 12.445 -0.517 46 HB1 ALA 7 HB1 ALA 7 7.009 10.290 -1.587 47 HB2 ALA 7 HB2 ALA 7 6.769 10.247 0.160 48 HB3 ALA 7 HB3 ALA 7 8.198 9.499 -0.552 49 HA PRO 8 HA PRO 8 6.351 12.197 0.926 50 HB2 PRO 8 HB2 PRO 8 5.492 13.005 3.290 51 HB3 PRO 8 HB1 PRO 8 5.961 11.317 3.047 52 HG2 PRO 8 HG2 PRO 8 7.472 13.531 4.376 53 HG3 PRO 8 HG1 PRO 8 7.340 11.826 4.847 54 HD2 PRO 8 HD2 PRO 8 9.458 12.972 3.409 55 HD3 PRO 8 HD1 PRO 8 9.109 11.238 3.533 56 H PHE 9 HN PHE 9 8.349 14.216 0.153 57 HA PHE 9 HA PHE 9 6.886 16.652 0.908 58 HB2 PHE 9 HB2 PHE 9 9.891 16.444 0.857 59 HB3 PHE 9 HB1 PHE 9 8.967 17.911 1.138 60 HD1 PHE 9 HD1 PHE 9 7.842 18.277 3.250 61 HD2 PHE 9 HD2 PHE 9 10.091 14.750 2.520 62 HE1 PHE 9 HE1 PHE 9 7.869 17.814 5.665 63 HE2 PHE 9 HE2 PHE 9 10.135 14.276 4.949 64 HZ PHE 9 HZ PHE 9 9.019 15.811 6.518 65 H CYS 10 HN CYS 10 5.962 16.360 -1.274 66 HA CYS 10 HA CYS 10 7.325 18.214 -2.987 67 HB2 CYS 10 HB2 CYS 10 6.989 16.807 -5.053 68 HB3 CYS 10 HB1 CYS 10 8.287 16.314 -3.986 69 HN1 NH2 11 H1 CYS 10 5.651 19.549 -2.483 70 HN2 NH2 11 H2 CYS 10 4.056 19.336 -3.116 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 -1.444 5.658 -0.024 2 H2 GLY 1 HT2 GLY 1 -1.581 4.001 -0.328 3 H3 GLY 1 HT3 GLY 1 -1.152 5.062 -1.573 4 HA2 GLY 1 HA1 GLY 1 0.471 4.529 0.839 5 HA3 GLY 1 HA2 GLY 1 0.757 3.827 -0.747 6 H PHE 2 HN PHE 2 2.873 5.035 0.033 7 HA PHE 2 HA PHE 2 2.844 7.606 -1.352 8 HB2 PHE 2 HB2 PHE 2 4.345 6.994 1.198 9 HB3 PHE 2 HB1 PHE 2 4.585 8.428 0.208 10 HD1 PHE 2 HD1 PHE 2 2.479 6.782 2.671 11 HD2 PHE 2 HD2 PHE 2 2.845 10.162 0.112 12 HE1 PHE 2 HE1 PHE 2 0.727 7.935 3.952 13 HE2 PHE 2 HE2 PHE 2 1.090 11.321 1.389 14 HZ PHE 2 HZ PHE 2 0.030 10.207 3.311 15 H ARG 3 HN ARG 3 3.584 6.468 -3.124 16 HA ARG 3 HA ARG 3 6.416 5.764 -2.881 17 HB2 ARG 3 HB2 ARG 3 4.368 4.520 -4.708 18 HB3 ARG 3 HB1 ARG 3 6.097 4.239 -4.826 19 HG2 ARG 3 HG2 ARG 3 6.122 3.318 -2.555 20 HG3 ARG 3 HG1 ARG 3 4.382 3.575 -2.435 21 HD2 ARG 3 HD2 ARG 3 5.610 1.906 -4.601 22 HD3 ARG 3 HD1 ARG 3 5.204 1.233 -3.029 23 HE ARG 3 HE ARG 3 2.879 2.273 -3.651 24 HH11 ARG 3 HH11 ARG 3 5.087 0.508 -5.734 25 HH12 ARG 3 HH12 ARG 3 3.834 -0.148 -6.725 26 HH21 ARG 3 HH21 ARG 3 1.212 1.419 -4.982 27 HH22 ARG 3 HH22 ARG 3 1.619 0.390 -6.307 28 H SER 4 HN SER 4 7.028 7.819 -3.295 29 HA SER 4 HA SER 4 7.048 8.506 -6.131 30 HB2 SER 4 HB2 SER 4 6.287 10.473 -3.953 31 HB3 SER 4 HB1 SER 4 6.522 10.867 -5.656 32 HG SER 4 HG SER 4 4.822 8.916 -5.682 33 HA PRO 5 HA PRO 5 11.286 9.238 -5.043 34 HB2 PRO 5 HB2 PRO 5 12.111 10.658 -7.172 35 HB3 PRO 5 HB1 PRO 5 11.669 8.951 -7.312 36 HG2 PRO 5 HG2 PRO 5 10.049 11.384 -7.973 37 HG3 PRO 5 HG1 PRO 5 10.259 9.894 -8.913 38 HD2 PRO 5 HD2 PRO 5 8.082 10.363 -7.358 39 HD3 PRO 5 HD1 PRO 5 8.722 8.735 -7.654 40 H CYS 6 HN CYS 6 9.324 11.087 -3.940 41 HA CYS 6 HA CYS 6 11.085 13.212 -3.162 42 HB2 CYS 6 HB2 CYS 6 9.431 14.987 -3.815 43 HB3 CYS 6 HB1 CYS 6 10.299 14.265 -5.176 44 H ALA 7 HN ALA 7 9.735 11.072 -1.857 45 HA ALA 7 HA ALA 7 7.525 12.473 -0.539 46 HB1 ALA 7 HB1 ALA 7 6.887 10.382 -1.664 47 HB2 ALA 7 HB2 ALA 7 6.642 10.289 0.081 48 HB3 ALA 7 HB3 ALA 7 8.036 9.501 -0.657 49 HA PRO 8 HA PRO 8 6.296 12.294 0.915 50 HB2 PRO 8 HB2 PRO 8 5.482 13.119 3.282 51 HB3 PRO 8 HB1 PRO 8 5.867 11.411 3.029 52 HG2 PRO 8 HG2 PRO 8 7.491 13.541 4.366 53 HG3 PRO 8 HG1 PRO 8 7.265 11.845 4.837 54 HD2 PRO 8 HD2 PRO 8 9.441 12.876 3.397 55 HD3 PRO 8 HD1 PRO 8 9.000 11.162 3.523 56 H PHE 9 HN PHE 9 8.332 14.205 0.084 57 HA PHE 9 HA PHE 9 7.019 16.698 0.923 58 HB2 PHE 9 HB2 PHE 9 10.011 16.365 0.746 59 HB3 PHE 9 HB1 PHE 9 9.162 17.869 1.078 60 HD1 PHE 9 HD1 PHE 9 8.139 18.260 3.236 61 HD2 PHE 9 HD2 PHE 9 10.191 14.643 2.394 62 HE1 PHE 9 HE1 PHE 9 8.220 17.764 5.643 63 HE2 PHE 9 HE2 PHE 9 10.288 14.137 4.812 64 HZ PHE 9 HZ PHE 9 9.298 15.697 6.431 65 H CYS 10 HN CYS 10 5.991 16.379 -1.212 66 HA CYS 10 HA CYS 10 7.205 18.259 -2.982 67 HB2 CYS 10 HB2 CYS 10 7.001 16.838 -5.037 68 HB3 CYS 10 HB1 CYS 10 8.300 16.385 -3.952 69 HN1 NH2 11 H1 CYS 10 5.450 19.499 -2.555 70 HN2 NH2 11 H2 CYS 10 3.860 19.134 -3.127 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 1.244 -0.476 -4.424 2 H2 GLY 1 HT2 GLY 1 2.244 -1.568 -3.616 3 H3 GLY 1 HT3 GLY 1 2.756 -0.862 -5.066 4 HA2 GLY 1 HA1 GLY 1 2.275 0.564 -2.528 5 HA3 GLY 1 HA2 GLY 1 3.852 0.164 -3.200 6 H PHE 2 HN PHE 2 3.736 2.659 -2.777 7 HA PHE 2 HA PHE 2 3.267 3.896 -5.361 8 HB2 PHE 2 HB2 PHE 2 2.314 5.029 -2.725 9 HB3 PHE 2 HB1 PHE 2 2.385 5.931 -4.229 10 HD1 PHE 2 HD1 PHE 2 0.486 3.645 -2.212 11 HD2 PHE 2 HD2 PHE 2 0.943 5.185 -6.152 12 HE1 PHE 2 HE1 PHE 2 -1.771 2.849 -2.781 13 HE2 PHE 2 HE2 PHE 2 -1.311 4.393 -6.728 14 HZ PHE 2 HZ PHE 2 -2.671 3.225 -5.042 15 H ARG 3 HN ARG 3 5.401 3.925 -5.679 16 HA ARG 3 HA ARG 3 7.134 5.124 -3.689 17 HB2 ARG 3 HB2 ARG 3 7.848 3.997 -6.375 18 HB3 ARG 3 HB1 ARG 3 8.968 4.466 -5.110 19 HG2 ARG 3 HG2 ARG 3 8.051 2.748 -3.626 20 HG3 ARG 3 HG1 ARG 3 6.944 2.243 -4.902 21 HD2 ARG 3 HD2 ARG 3 9.922 2.283 -5.248 22 HD3 ARG 3 HD1 ARG 3 9.066 0.884 -4.611 23 HE ARG 3 HE ARG 3 7.747 1.275 -6.893 24 HH11 ARG 3 HH11 ARG 3 11.184 1.183 -6.233 25 HH12 ARG 3 HH12 ARG 3 11.610 0.679 -7.829 26 HH21 ARG 3 HH21 ARG 3 8.312 0.629 -9.022 27 HH22 ARG 3 HH22 ARG 3 9.974 0.363 -9.415 28 H SER 4 HN SER 4 6.488 7.263 -3.734 29 HA SER 4 HA SER 4 6.845 8.765 -6.192 30 HB2 SER 4 HB2 SER 4 6.272 9.781 -3.398 31 HB3 SER 4 HB1 SER 4 6.057 10.663 -4.908 32 HG SER 4 HG SER 4 4.494 8.665 -3.758 33 HA PRO 5 HA PRO 5 11.174 9.166 -5.074 34 HB2 PRO 5 HB2 PRO 5 11.986 10.552 -7.235 35 HB3 PRO 5 HB1 PRO 5 11.560 8.838 -7.325 36 HG2 PRO 5 HG2 PRO 5 9.919 11.236 -8.060 37 HG3 PRO 5 HG1 PRO 5 10.127 9.713 -8.943 38 HD2 PRO 5 HD2 PRO 5 7.961 10.251 -7.384 39 HD3 PRO 5 HD1 PRO 5 8.585 8.611 -7.644 40 H CYS 6 HN CYS 6 9.261 11.060 -3.956 41 HA CYS 6 HA CYS 6 11.104 13.129 -3.214 42 HB2 CYS 6 HB2 CYS 6 9.476 14.960 -3.824 43 HB3 CYS 6 HB1 CYS 6 10.332 14.240 -5.194 44 H ALA 7 HN ALA 7 9.703 11.036 -1.885 45 HA ALA 7 HA ALA 7 7.551 12.493 -0.536 46 HB1 ALA 7 HB1 ALA 7 6.704 10.309 0.169 47 HB2 ALA 7 HB2 ALA 7 8.064 9.522 -0.632 48 HB3 ALA 7 HB3 ALA 7 6.865 10.398 -1.583 49 HA PRO 8 HA PRO 8 6.323 12.247 0.914 50 HB2 PRO 8 HB2 PRO 8 5.476 13.053 3.274 51 HB3 PRO 8 HB1 PRO 8 5.930 11.359 3.034 52 HG2 PRO 8 HG2 PRO 8 7.473 13.569 4.338 53 HG3 PRO 8 HG1 PRO 8 7.299 11.876 4.844 54 HD2 PRO 8 HD2 PRO 8 9.453 12.927 3.401 55 HD3 PRO 8 HD1 PRO 8 9.040 11.207 3.526 56 H PHE 9 HN PHE 9 8.349 14.231 0.139 57 HA PHE 9 HA PHE 9 6.918 16.671 0.919 58 HB2 PHE 9 HB2 PHE 9 9.917 16.397 0.919 59 HB3 PHE 9 HB1 PHE 9 9.038 17.905 1.134 60 HD1 PHE 9 HD1 PHE 9 7.882 18.376 3.197 61 HD2 PHE 9 HD2 PHE 9 9.965 14.728 2.631 62 HE1 PHE 9 HE1 PHE 9 7.788 17.968 5.620 63 HE2 PHE 9 HE2 PHE 9 9.888 14.306 5.065 64 HZ PHE 9 HZ PHE 9 8.795 15.928 6.558 65 H CYS 10 HN CYS 10 5.974 16.383 -1.233 66 HA CYS 10 HA CYS 10 7.240 18.269 -2.956 67 HB2 CYS 10 HB2 CYS 10 7.089 16.845 -5.018 68 HB3 CYS 10 HB1 CYS 10 8.357 16.389 -3.895 69 HN1 NH2 11 H1 CYS 10 5.369 19.362 -2.262 70 HN2 NH2 11 H2 CYS 10 3.842 19.069 -3.015 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 1.146 0.113 -6.369 2 H2 GLY 1 HT2 GLY 1 1.875 -1.026 -5.355 3 H3 GLY 1 HT3 GLY 1 2.771 -0.287 -6.583 4 HA2 GLY 1 HA1 GLY 1 1.616 1.099 -4.240 5 HA3 GLY 1 HA2 GLY 1 3.305 0.643 -4.419 6 H PHE 2 HN PHE 2 2.978 3.190 -3.950 7 HA PHE 2 HA PHE 2 3.441 4.473 -6.529 8 HB2 PHE 2 HB2 PHE 2 1.799 5.618 -4.261 9 HB3 PHE 2 HB1 PHE 2 2.352 6.532 -5.654 10 HD1 PHE 2 HD1 PHE 2 -0.106 4.202 -4.374 11 HD2 PHE 2 HD2 PHE 2 1.429 6.022 -7.901 12 HE1 PHE 2 HE1 PHE 2 -2.144 3.554 -5.590 13 HE2 PHE 2 HE2 PHE 2 -0.604 5.376 -9.125 14 HZ PHE 2 HZ PHE 2 -2.395 4.140 -7.969 15 H ARG 3 HN ARG 3 5.610 4.254 -6.062 16 HA ARG 3 HA ARG 3 6.565 5.734 -3.750 17 HB2 ARG 3 HB2 ARG 3 7.977 3.934 -5.674 18 HB3 ARG 3 HB1 ARG 3 8.819 4.893 -4.466 19 HG2 ARG 3 HG2 ARG 3 7.147 3.720 -2.812 20 HG3 ARG 3 HG1 ARG 3 7.064 2.512 -4.096 21 HD2 ARG 3 HD2 ARG 3 9.628 3.524 -2.890 22 HD3 ARG 3 HD1 ARG 3 8.798 2.072 -2.345 23 HE ARG 3 HE ARG 3 9.086 1.422 -4.845 24 HH11 ARG 3 HH11 ARG 3 11.382 3.207 -2.885 25 HH12 ARG 3 HH12 ARG 3 12.771 2.555 -3.671 26 HH21 ARG 3 HH21 ARG 3 10.949 0.526 -5.890 27 HH22 ARG 3 HH22 ARG 3 12.526 1.018 -5.376 28 H SER 4 HN SER 4 6.324 7.823 -4.256 29 HA SER 4 HA SER 4 7.414 8.828 -6.728 30 HB2 SER 4 HB2 SER 4 6.304 10.330 -4.352 31 HB3 SER 4 HB1 SER 4 6.610 10.990 -5.958 32 HG SER 4 HG SER 4 4.465 9.628 -5.041 33 HA PRO 5 HA PRO 5 11.481 9.361 -4.928 34 HB2 PRO 5 HB2 PRO 5 12.043 11.128 -7.203 35 HB3 PRO 5 HB1 PRO 5 12.753 9.559 -6.809 36 HG2 PRO 5 HG2 PRO 5 11.087 9.871 -8.896 37 HG3 PRO 5 HG1 PRO 5 11.111 8.386 -7.929 38 HD2 PRO 5 HD2 PRO 5 9.203 10.693 -7.809 39 HD3 PRO 5 HD1 PRO 5 8.875 8.945 -7.787 40 H CYS 6 HN CYS 6 9.423 11.113 -3.973 41 HA CYS 6 HA CYS 6 11.038 13.305 -3.072 42 HB2 CYS 6 HB2 CYS 6 9.382 15.018 -3.792 43 HB3 CYS 6 HB1 CYS 6 10.289 14.307 -5.128 44 H ALA 7 HN ALA 7 9.755 11.099 -1.829 45 HA ALA 7 HA ALA 7 7.481 12.417 -0.539 46 HB1 ALA 7 HB1 ALA 7 6.654 10.204 0.050 47 HB2 ALA 7 HB2 ALA 7 8.078 9.463 -0.680 48 HB3 ALA 7 HB3 ALA 7 6.916 10.323 -1.690 49 HA PRO 8 HA PRO 8 6.273 12.312 0.902 50 HB2 PRO 8 HB2 PRO 8 5.455 13.206 3.233 51 HB3 PRO 8 HB1 PRO 8 5.845 11.490 3.041 52 HG2 PRO 8 HG2 PRO 8 7.476 13.674 4.287 53 HG3 PRO 8 HG1 PRO 8 7.230 12.007 4.846 54 HD2 PRO 8 HD2 PRO 8 9.423 12.927 3.367 55 HD3 PRO 8 HD1 PRO 8 8.948 11.229 3.558 56 H PHE 9 HN PHE 9 8.432 14.191 0.135 57 HA PHE 9 HA PHE 9 7.133 16.716 0.914 58 HB2 PHE 9 HB2 PHE 9 10.109 16.323 0.628 59 HB3 PHE 9 HB1 PHE 9 9.302 17.845 0.970 60 HD1 PHE 9 HD1 PHE 9 8.420 18.310 3.165 61 HD2 PHE 9 HD2 PHE 9 10.285 14.594 2.288 62 HE1 PHE 9 HE1 PHE 9 8.603 17.850 5.574 63 HE2 PHE 9 HE2 PHE 9 10.482 14.126 4.709 64 HZ PHE 9 HZ PHE 9 9.638 15.753 6.348 65 H CYS 10 HN CYS 10 6.018 16.364 -1.175 66 HA CYS 10 HA CYS 10 7.158 18.240 -2.980 67 HB2 CYS 10 HB2 CYS 10 6.898 16.850 -5.051 68 HB3 CYS 10 HB1 CYS 10 8.239 16.392 -4.021 69 HN1 NH2 11 H1 CYS 10 5.465 19.515 -2.615 70 HN2 NH2 11 H2 CYS 10 3.841 19.139 -3.071 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 0.710 1.962 0.190 2 H2 GLY 1 HT2 GLY 1 0.269 0.632 -0.751 3 H3 GLY 1 HT3 GLY 1 -0.068 2.201 -1.287 4 HA2 GLY 1 HA1 GLY 1 2.628 1.042 -0.935 5 HA3 GLY 1 HA2 GLY 1 1.811 1.293 -2.472 6 H PHE 2 HN PHE 2 4.345 2.412 -1.533 7 HA PHE 2 HA PHE 2 3.651 5.227 -1.801 8 HB2 PHE 2 HB2 PHE 2 5.675 4.094 0.138 9 HB3 PHE 2 HB1 PHE 2 5.533 5.800 -0.273 10 HD1 PHE 2 HD1 PHE 2 4.228 3.074 1.706 11 HD2 PHE 2 HD2 PHE 2 3.471 7.043 0.368 12 HE1 PHE 2 HE1 PHE 2 2.552 3.351 3.485 13 HE2 PHE 2 HE2 PHE 2 1.794 7.325 2.145 14 HZ PHE 2 HZ PHE 2 1.333 5.479 3.705 15 H ARG 3 HN ARG 3 4.169 5.045 -3.930 16 HA ARG 3 HA ARG 3 7.052 4.831 -4.421 17 HB2 ARG 3 HB2 ARG 3 4.780 4.213 -6.294 18 HB3 ARG 3 HB1 ARG 3 6.458 4.323 -6.793 19 HG2 ARG 3 HG2 ARG 3 7.037 2.499 -5.243 20 HG3 ARG 3 HG1 ARG 3 5.334 2.354 -4.806 21 HD2 ARG 3 HD2 ARG 3 6.283 2.131 -7.639 22 HD3 ARG 3 HD1 ARG 3 6.252 0.742 -6.557 23 HE ARG 3 HE ARG 3 3.760 1.511 -6.308 24 HH11 ARG 3 HH11 ARG 3 5.690 1.439 -9.235 25 HH12 ARG 3 HH12 ARG 3 4.347 1.104 -10.267 26 HH21 ARG 3 HH21 ARG 3 1.971 1.074 -7.675 27 HH22 ARG 3 HH22 ARG 3 2.216 0.899 -9.377 28 H SER 4 HN SER 4 7.373 6.951 -3.905 29 HA SER 4 HA SER 4 6.794 8.803 -6.079 30 HB2 SER 4 HB2 SER 4 6.273 9.471 -3.174 31 HB3 SER 4 HB1 SER 4 6.088 10.568 -4.539 32 HG SER 4 HG SER 4 4.532 8.902 -5.328 33 HA PRO 5 HA PRO 5 11.180 9.118 -4.969 34 HB2 PRO 5 HB2 PRO 5 11.428 10.702 -7.408 35 HB3 PRO 5 HB1 PRO 5 12.133 9.132 -7.024 36 HG2 PRO 5 HG2 PRO 5 10.170 9.427 -8.861 37 HG3 PRO 5 HG1 PRO 5 10.333 7.970 -7.866 38 HD2 PRO 5 HD2 PRO 5 8.472 10.293 -7.534 39 HD3 PRO 5 HD1 PRO 5 8.154 8.552 -7.364 40 H CYS 6 HN CYS 6 9.239 11.014 -3.918 41 HA CYS 6 HA CYS 6 11.054 13.132 -3.269 42 HB2 CYS 6 HB2 CYS 6 9.432 14.922 -3.922 43 HB3 CYS 6 HB1 CYS 6 10.231 14.142 -5.288 44 H ALA 7 HN ALA 7 9.747 11.065 -1.869 45 HA ALA 7 HA ALA 7 7.579 12.488 -0.511 46 HB1 ALA 7 HB1 ALA 7 6.772 10.289 0.212 47 HB2 ALA 7 HB2 ALA 7 8.121 9.521 -0.625 48 HB3 ALA 7 HB3 ALA 7 6.892 10.390 -1.542 49 HA PRO 8 HA PRO 8 6.378 12.180 0.932 50 HB2 PRO 8 HB2 PRO 8 5.522 12.965 3.297 51 HB3 PRO 8 HB1 PRO 8 6.016 11.285 3.042 52 HG2 PRO 8 HG2 PRO 8 7.497 13.515 4.376 53 HG3 PRO 8 HG1 PRO 8 7.400 11.803 4.835 54 HD2 PRO 8 HD2 PRO 8 9.480 13.010 3.384 55 HD3 PRO 8 HD1 PRO 8 9.179 11.267 3.515 56 H PHE 9 HN PHE 9 8.364 14.277 0.181 57 HA PHE 9 HA PHE 9 6.760 16.630 0.898 58 HB2 PHE 9 HB2 PHE 9 9.768 16.553 1.071 59 HB3 PHE 9 HB1 PHE 9 8.777 17.995 1.247 60 HD1 PHE 9 HD1 PHE 9 7.509 18.387 3.249 61 HD2 PHE 9 HD2 PHE 9 9.803 14.855 2.758 62 HE1 PHE 9 HE1 PHE 9 7.311 17.947 5.658 63 HE2 PHE 9 HE2 PHE 9 9.623 14.402 5.185 64 HZ PHE 9 HZ PHE 9 8.370 15.950 6.631 65 H CYS 10 HN CYS 10 5.965 16.326 -1.311 66 HA CYS 10 HA CYS 10 7.339 18.232 -2.963 67 HB2 CYS 10 HB2 CYS 10 7.139 16.819 -5.028 68 HB3 CYS 10 HB1 CYS 10 8.367 16.310 -3.885 69 HN1 NH2 11 H1 CYS 10 5.639 19.565 -2.613 70 HN2 NH2 11 H2 CYS 10 4.060 19.290 -3.256 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 -2.034 5.385 -1.546 2 H2 GLY 1 HT2 GLY 1 -2.701 6.768 -0.850 3 H3 GLY 1 HT3 GLY 1 -2.377 5.416 0.109 4 HA2 GLY 1 HA1 GLY 1 -0.709 7.097 0.470 5 HA3 GLY 1 HA2 GLY 1 -0.017 5.670 -0.287 6 H PHE 2 HN PHE 2 1.550 7.646 -0.636 7 HA PHE 2 HA PHE 2 1.108 8.540 -3.374 8 HB2 PHE 2 HB2 PHE 2 2.029 10.327 -1.109 9 HB3 PHE 2 HB1 PHE 2 2.104 10.754 -2.811 10 HD1 PHE 2 HD1 PHE 2 0.046 10.585 0.139 11 HD2 PHE 2 HD2 PHE 2 -0.030 11.014 -4.092 12 HE1 PHE 2 HE1 PHE 2 -2.238 11.488 0.275 13 HE2 PHE 2 HE2 PHE 2 -2.312 11.917 -3.965 14 HZ PHE 2 HZ PHE 2 -3.420 12.156 -1.779 15 H ARG 3 HN ARG 3 2.539 6.976 -3.971 16 HA ARG 3 HA ARG 3 5.201 6.987 -2.833 17 HB2 ARG 3 HB2 ARG 3 4.011 5.282 -5.000 18 HB3 ARG 3 HB1 ARG 3 5.628 5.097 -4.352 19 HG2 ARG 3 HG2 ARG 3 4.671 4.662 -2.117 20 HG3 ARG 3 HG1 ARG 3 3.057 4.743 -2.825 21 HD2 ARG 3 HD2 ARG 3 5.169 2.847 -3.810 22 HD3 ARG 3 HD1 ARG 3 4.063 2.430 -2.504 23 HE ARG 3 HE ARG 3 2.312 3.107 -4.350 24 HH11 ARG 3 HH11 ARG 3 5.230 1.208 -4.714 25 HH12 ARG 3 HH12 ARG 3 4.629 0.287 -6.045 26 HH21 ARG 3 HH21 ARG 3 1.495 1.883 -6.110 27 HH22 ARG 3 HH22 ARG 3 2.492 0.676 -6.851 28 H SER 4 HN SER 4 5.976 8.957 -3.478 29 HA SER 4 HA SER 4 6.609 9.175 -6.345 30 HB2 SER 4 HB2 SER 4 6.226 11.411 -4.345 31 HB3 SER 4 HB1 SER 4 6.644 11.613 -6.044 32 HG SER 4 HG SER 4 4.550 10.202 -6.207 33 HA PRO 5 HA PRO 5 10.892 9.144 -5.055 34 HB2 PRO 5 HB2 PRO 5 12.045 10.464 -7.112 35 HB3 PRO 5 HB1 PRO 5 11.371 8.842 -7.307 36 HG2 PRO 5 HG2 PRO 5 10.148 11.489 -8.002 37 HG3 PRO 5 HG1 PRO 5 10.205 10.001 -8.966 38 HD2 PRO 5 HD2 PRO 5 8.019 10.725 -7.549 39 HD3 PRO 5 HD1 PRO 5 8.475 9.026 -7.798 40 H CYS 6 HN CYS 6 9.218 11.179 -3.962 41 HA CYS 6 HA CYS 6 11.159 13.120 -3.124 42 HB2 CYS 6 HB2 CYS 6 9.539 15.008 -3.719 43 HB3 CYS 6 HB1 CYS 6 10.486 14.341 -5.058 44 H ALA 7 HN ALA 7 9.638 11.028 -1.917 45 HA ALA 7 HA ALA 7 7.508 12.491 -0.559 46 HB1 ALA 7 HB1 ALA 7 7.973 9.513 -0.670 47 HB2 ALA 7 HB2 ALA 7 6.844 10.408 -1.686 48 HB3 ALA 7 HB3 ALA 7 6.587 10.326 0.056 49 HA PRO 8 HA PRO 8 6.279 12.321 0.896 50 HB2 PRO 8 HB2 PRO 8 5.468 13.140 3.259 51 HB3 PRO 8 HB1 PRO 8 5.870 11.434 3.019 52 HG2 PRO 8 HG2 PRO 8 7.487 13.594 4.319 53 HG3 PRO 8 HG1 PRO 8 7.262 11.908 4.826 54 HD2 PRO 8 HD2 PRO 8 9.433 12.905 3.359 55 HD3 PRO 8 HD1 PRO 8 8.987 11.194 3.510 56 H PHE 9 HN PHE 9 8.370 14.212 0.103 57 HA PHE 9 HA PHE 9 7.087 16.724 0.948 58 HB2 PHE 9 HB2 PHE 9 10.064 16.339 0.661 59 HB3 PHE 9 HB1 PHE 9 9.252 17.855 1.021 60 HD1 PHE 9 HD1 PHE 9 8.316 18.267 3.214 61 HD2 PHE 9 HD2 PHE 9 10.294 14.620 2.300 62 HE1 PHE 9 HE1 PHE 9 8.494 17.780 5.615 63 HE2 PHE 9 HE2 PHE 9 10.486 14.124 4.712 64 HZ PHE 9 HZ PHE 9 9.584 15.703 6.369 65 H CYS 10 HN CYS 10 5.996 16.363 -1.183 66 HA CYS 10 HA CYS 10 7.146 18.259 -2.938 67 HB2 CYS 10 HB2 CYS 10 7.035 16.871 -5.010 68 HB3 CYS 10 HB1 CYS 10 8.339 16.452 -3.916 69 HN1 NH2 11 H1 CYS 10 5.385 19.444 -2.561 70 HN2 NH2 11 H2 CYS 10 3.808 19.045 -3.145 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 -1.093 3.299 -6.948 2 H2 GLY 1 HT2 GLY 1 -0.872 2.287 -5.613 3 H3 GLY 1 HT3 GLY 1 -1.002 1.623 -7.162 4 HA2 GLY 1 HA1 GLY 1 1.281 1.611 -6.427 5 HA3 GLY 1 HA2 GLY 1 1.057 2.656 -7.821 6 H PHE 2 HN PHE 2 3.220 2.877 -6.045 7 HA PHE 2 HA PHE 2 2.625 5.380 -4.651 8 HB2 PHE 2 HB2 PHE 2 4.769 3.333 -4.026 9 HB3 PHE 2 HB1 PHE 2 4.568 4.872 -3.205 10 HD1 PHE 2 HD1 PHE 2 3.028 1.562 -3.781 11 HD2 PHE 2 HD2 PHE 2 3.014 5.115 -1.441 12 HE1 PHE 2 HE1 PHE 2 1.533 0.479 -2.157 13 HE2 PHE 2 HE2 PHE 2 1.513 4.041 0.187 14 HZ PHE 2 HZ PHE 2 0.772 1.719 -0.171 15 H ARG 3 HN ARG 3 3.025 6.539 -6.511 16 HA ARG 3 HA ARG 3 5.804 6.473 -7.459 17 HB2 ARG 3 HB2 ARG 3 3.470 7.854 -8.741 18 HB3 ARG 3 HB1 ARG 3 5.075 7.660 -9.416 19 HG2 ARG 3 HG2 ARG 3 4.768 5.225 -9.472 20 HG3 ARG 3 HG1 ARG 3 3.128 5.430 -8.859 21 HD2 ARG 3 HD2 ARG 3 4.129 6.710 -11.385 22 HD3 ARG 3 HD1 ARG 3 3.346 5.132 -11.349 23 HE ARG 3 HE ARG 3 1.485 6.547 -10.165 24 HH11 ARG 3 HH11 ARG 3 3.422 7.387 -12.960 25 HH12 ARG 3 HH12 ARG 3 2.221 8.414 -13.656 26 HH21 ARG 3 HH21 ARG 3 -0.123 7.922 -11.080 27 HH22 ARG 3 HH22 ARG 3 0.189 8.717 -12.582 28 H SER 4 HN SER 4 6.602 7.652 -5.635 29 HA SER 4 HA SER 4 6.469 10.487 -6.157 30 HB2 SER 4 HB2 SER 4 5.848 9.365 -3.412 31 HB3 SER 4 HB1 SER 4 6.084 11.072 -3.787 32 HG SER 4 HG SER 4 4.283 10.121 -5.483 33 HA PRO 5 HA PRO 5 10.741 9.158 -5.140 34 HB2 PRO 5 HB2 PRO 5 11.595 10.832 -7.332 35 HB3 PRO 5 HB1 PRO 5 11.662 9.073 -7.226 36 HG2 PRO 5 HG2 PRO 5 10.033 10.439 -8.965 37 HG3 PRO 5 HG1 PRO 5 9.693 8.806 -8.366 38 HD2 PRO 5 HD2 PRO 5 8.583 11.432 -7.451 39 HD3 PRO 5 HD1 PRO 5 7.758 9.873 -7.676 40 H CYS 6 HN CYS 6 9.174 11.205 -3.985 41 HA CYS 6 HA CYS 6 11.172 13.092 -3.127 42 HB2 CYS 6 HB2 CYS 6 9.547 14.998 -3.676 43 HB3 CYS 6 HB1 CYS 6 10.481 14.345 -5.033 44 H ALA 7 HN ALA 7 9.656 11.005 -1.925 45 HA ALA 7 HA ALA 7 7.505 12.433 -0.569 46 HB1 ALA 7 HB1 ALA 7 6.594 10.264 0.012 47 HB2 ALA 7 HB2 ALA 7 8.029 9.459 -0.623 48 HB3 ALA 7 HB3 ALA 7 6.937 10.298 -1.720 49 HA PRO 8 HA PRO 8 6.288 12.323 0.882 50 HB2 PRO 8 HB2 PRO 8 5.465 13.127 3.241 51 HB3 PRO 8 HB1 PRO 8 5.884 11.424 3.003 52 HG2 PRO 8 HG2 PRO 8 7.479 13.600 4.306 53 HG3 PRO 8 HG1 PRO 8 7.268 11.913 4.814 54 HD2 PRO 8 HD2 PRO 8 9.431 12.928 3.347 55 HD3 PRO 8 HD1 PRO 8 9.002 11.214 3.509 56 H PHE 9 HN PHE 9 8.368 14.244 0.096 57 HA PHE 9 HA PHE 9 7.053 16.735 0.955 58 HB2 PHE 9 HB2 PHE 9 10.037 16.395 0.681 59 HB3 PHE 9 HB1 PHE 9 9.204 17.895 1.056 60 HD1 PHE 9 HD1 PHE 9 8.309 18.292 3.259 61 HD2 PHE 9 HD2 PHE 9 10.250 14.638 2.300 62 HE1 PHE 9 HE1 PHE 9 8.508 17.785 5.658 63 HE2 PHE 9 HE2 PHE 9 10.464 14.120 4.709 64 HZ PHE 9 HZ PHE 9 9.588 15.696 6.385 65 H CYS 10 HN CYS 10 5.994 16.371 -1.188 66 HA CYS 10 HA CYS 10 7.144 18.274 -2.955 67 HB2 CYS 10 HB2 CYS 10 7.023 16.854 -5.016 68 HB3 CYS 10 HB1 CYS 10 8.337 16.464 -3.923 69 HN1 NH2 11 H1 CYS 10 5.393 19.482 -2.647 70 HN2 NH2 11 H2 CYS 10 3.809 19.059 -3.187 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 -1.863 4.919 -1.852 2 H2 GLY 1 HT2 GLY 1 -3.026 3.990 -2.647 3 H3 GLY 1 HT3 GLY 1 -3.193 5.669 -2.569 4 HA2 GLY 1 HA1 GLY 1 -1.076 4.208 -4.025 5 HA3 GLY 1 HA2 GLY 1 -2.452 5.027 -4.750 6 H PHE 2 HN PHE 2 0.667 5.403 -3.272 7 HA PHE 2 HA PHE 2 0.726 8.175 -4.169 8 HB2 PHE 2 HB2 PHE 2 1.599 7.244 -1.430 9 HB3 PHE 2 HB1 PHE 2 1.993 8.810 -2.119 10 HD1 PHE 2 HD1 PHE 2 -0.425 6.877 -0.316 11 HD2 PHE 2 HD2 PHE 2 0.094 10.397 -2.650 12 HE1 PHE 2 HE1 PHE 2 -2.511 7.792 0.610 13 HE2 PHE 2 HE2 PHE 2 -1.993 11.318 -1.728 14 HZ PHE 2 HZ PHE 2 -3.297 10.015 -0.096 15 H ARG 3 HN ARG 3 1.985 7.424 -5.858 16 HA ARG 3 HA ARG 3 4.641 6.454 -5.113 17 HB2 ARG 3 HB2 ARG 3 3.233 6.564 -7.754 18 HB3 ARG 3 HB1 ARG 3 4.947 6.211 -7.612 19 HG2 ARG 3 HG2 ARG 3 4.299 4.321 -6.053 20 HG3 ARG 3 HG1 ARG 3 2.640 4.583 -6.597 21 HD2 ARG 3 HD2 ARG 3 4.919 4.140 -8.499 22 HD3 ARG 3 HD1 ARG 3 3.982 2.814 -7.823 23 HE ARG 3 HE ARG 3 2.015 4.168 -8.824 24 HH11 ARG 3 HH11 ARG 3 5.215 3.906 -10.234 25 HH12 ARG 3 HH12 ARG 3 4.646 3.888 -11.865 26 HH21 ARG 3 HH21 ARG 3 1.247 4.130 -10.999 27 HH22 ARG 3 HH22 ARG 3 2.381 4.022 -12.299 28 H SER 4 HN SER 4 5.575 8.302 -4.345 29 HA SER 4 HA SER 4 6.130 10.317 -6.406 30 HB2 SER 4 HB2 SER 4 5.759 10.852 -3.454 31 HB3 SER 4 HB1 SER 4 6.087 12.054 -4.701 32 HG SER 4 HG SER 4 3.956 10.572 -5.388 33 HA PRO 5 HA PRO 5 10.310 9.062 -5.224 34 HB2 PRO 5 HB2 PRO 5 11.587 10.231 -7.276 35 HB3 PRO 5 HB1 PRO 5 10.619 8.770 -7.515 36 HG2 PRO 5 HG2 PRO 5 9.922 11.621 -8.092 37 HG3 PRO 5 HG1 PRO 5 9.604 10.173 -9.063 38 HD2 PRO 5 HD2 PRO 5 7.744 11.375 -7.431 39 HD3 PRO 5 HD1 PRO 5 7.703 9.661 -7.893 40 H CYS 6 HN CYS 6 8.984 11.265 -4.018 41 HA CYS 6 HA CYS 6 11.208 12.912 -3.219 42 HB2 CYS 6 HB2 CYS 6 9.681 14.972 -3.691 43 HB3 CYS 6 HB1 CYS 6 10.649 14.316 -5.023 44 H ALA 7 HN ALA 7 9.519 10.999 -2.002 45 HA ALA 7 HA ALA 7 7.550 12.571 -0.538 46 HB1 ALA 7 HB1 ALA 7 6.757 10.513 -1.596 47 HB2 ALA 7 HB2 ALA 7 6.622 10.417 0.160 48 HB3 ALA 7 HB3 ALA 7 7.933 9.583 -0.670 49 HA PRO 8 HA PRO 8 6.336 12.253 0.954 50 HB2 PRO 8 HB2 PRO 8 5.562 13.013 3.363 51 HB3 PRO 8 HB1 PRO 8 5.977 11.321 3.055 52 HG2 PRO 8 HG2 PRO 8 7.569 13.439 4.434 53 HG3 PRO 8 HG1 PRO 8 7.428 11.715 4.817 54 HD2 PRO 8 HD2 PRO 8 9.506 12.934 3.355 55 HD3 PRO 8 HD1 PRO 8 9.180 11.193 3.455 56 H PHE 9 HN PHE 9 8.302 14.256 0.115 57 HA PHE 9 HA PHE 9 6.852 16.664 0.943 58 HB2 PHE 9 HB2 PHE 9 9.858 16.506 0.922 59 HB3 PHE 9 HB1 PHE 9 8.902 17.943 1.244 60 HD1 PHE 9 HD1 PHE 9 7.683 18.167 3.351 61 HD2 PHE 9 HD2 PHE 9 10.145 14.805 2.537 62 HE1 PHE 9 HE1 PHE 9 7.699 17.616 5.748 63 HE2 PHE 9 HE2 PHE 9 10.177 14.248 4.945 64 HZ PHE 9 HZ PHE 9 8.948 15.655 6.546 65 H CYS 10 HN CYS 10 5.976 16.306 -1.288 66 HA CYS 10 HA CYS 10 7.221 18.289 -2.911 67 HB2 CYS 10 HB2 CYS 10 7.326 16.929 -4.988 68 HB3 CYS 10 HB1 CYS 10 8.504 16.466 -3.772 69 HN1 NH2 11 H1 CYS 10 5.313 19.348 -2.476 70 HN2 NH2 11 H2 CYS 10 3.841 18.949 -3.282 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 3.088 0.344 -5.864 2 H2 GLY 1 HT2 GLY 1 3.248 -1.064 -4.942 3 H3 GLY 1 HT3 GLY 1 4.414 0.152 -4.835 4 HA2 GLY 1 HA1 GLY 1 1.585 0.358 -3.976 5 HA3 GLY 1 HA2 GLY 1 2.972 0.195 -2.912 6 H PHE 2 HN PHE 2 4.638 1.935 -3.094 7 HA PHE 2 HA PHE 2 3.510 4.511 -3.881 8 HB2 PHE 2 HB2 PHE 2 4.621 3.852 -1.148 9 HB3 PHE 2 HB1 PHE 2 4.410 5.491 -1.743 10 HD1 PHE 2 HD1 PHE 2 2.607 2.391 -0.826 11 HD2 PHE 2 HD2 PHE 2 2.317 6.557 -1.627 12 HE1 PHE 2 HE1 PHE 2 0.303 2.392 0.036 13 HE2 PHE 2 HE2 PHE 2 0.014 6.566 -0.772 14 HZ PHE 2 HZ PHE 2 -0.997 4.481 0.062 15 H ARG 3 HN ARG 3 5.003 4.457 -5.563 16 HA ARG 3 HA ARG 3 7.774 4.799 -4.668 17 HB2 ARG 3 HB2 ARG 3 6.791 4.041 -7.399 18 HB3 ARG 3 HB1 ARG 3 8.470 4.286 -6.959 19 HG2 ARG 3 HG2 ARG 3 8.205 2.452 -5.256 20 HG3 ARG 3 HG1 ARG 3 6.639 2.105 -5.987 21 HD2 ARG 3 HD2 ARG 3 9.228 2.145 -7.523 22 HD3 ARG 3 HD1 ARG 3 8.549 0.691 -6.799 23 HE ARG 3 HE ARG 3 6.510 1.422 -8.285 24 HH11 ARG 3 HH11 ARG 3 9.924 1.405 -9.098 25 HH12 ARG 3 HH12 ARG 3 9.654 1.178 -10.792 26 HH21 ARG 3 HH21 ARG 3 6.150 1.108 -10.527 27 HH22 ARG 3 HH22 ARG 3 7.497 1.011 -11.611 28 H SER 4 HN SER 4 7.557 6.940 -4.138 29 HA SER 4 HA SER 4 7.453 8.718 -6.469 30 HB2 SER 4 HB2 SER 4 6.421 9.313 -3.687 31 HB3 SER 4 HB1 SER 4 6.454 10.454 -5.032 32 HG SER 4 HG SER 4 5.118 8.878 -6.172 33 HA PRO 5 HA PRO 5 11.605 9.388 -4.921 34 HB2 PRO 5 HB2 PRO 5 12.498 10.853 -6.985 35 HB3 PRO 5 HB1 PRO 5 12.195 9.119 -7.143 36 HG2 PRO 5 HG2 PRO 5 10.464 11.423 -7.966 37 HG3 PRO 5 HG1 PRO 5 10.858 9.948 -8.867 38 HD2 PRO 5 HD2 PRO 5 8.532 10.279 -7.496 39 HD3 PRO 5 HD1 PRO 5 9.295 8.696 -7.743 40 H CYS 6 HN CYS 6 9.454 11.078 -3.947 41 HA CYS 6 HA CYS 6 11.028 13.311 -3.090 42 HB2 CYS 6 HB2 CYS 6 9.379 15.012 -3.823 43 HB3 CYS 6 HB1 CYS 6 10.256 14.282 -5.169 44 H ALA 7 HN ALA 7 9.770 11.106 -1.817 45 HA ALA 7 HA ALA 7 7.492 12.431 -0.544 46 HB1 ALA 7 HB1 ALA 7 6.652 10.223 0.047 47 HB2 ALA 7 HB2 ALA 7 8.066 9.477 -0.699 48 HB3 ALA 7 HB3 ALA 7 6.903 10.353 -1.694 49 HA PRO 8 HA PRO 8 6.265 12.316 0.894 50 HB2 PRO 8 HB2 PRO 8 5.443 13.205 3.225 51 HB3 PRO 8 HB1 PRO 8 5.828 11.488 3.035 52 HG2 PRO 8 HG2 PRO 8 7.470 13.670 4.275 53 HG3 PRO 8 HG1 PRO 8 7.203 12.010 4.848 54 HD2 PRO 8 HD2 PRO 8 9.416 12.883 3.383 55 HD3 PRO 8 HD1 PRO 8 8.905 11.193 3.557 56 H PHE 9 HN PHE 9 8.446 14.196 0.145 57 HA PHE 9 HA PHE 9 7.138 16.719 0.931 58 HB2 PHE 9 HB2 PHE 9 10.111 16.317 0.648 59 HB3 PHE 9 HB1 PHE 9 9.312 17.845 0.983 60 HD1 PHE 9 HD1 PHE 9 8.466 18.346 3.170 61 HD2 PHE 9 HD2 PHE 9 10.217 14.569 2.323 62 HE1 PHE 9 HE1 PHE 9 8.624 17.892 5.582 63 HE2 PHE 9 HE2 PHE 9 10.388 14.107 4.744 64 HZ PHE 9 HZ PHE 9 9.588 15.769 6.372 65 H CYS 10 HN CYS 10 6.020 16.374 -1.165 66 HA CYS 10 HA CYS 10 7.152 18.242 -2.988 67 HB2 CYS 10 HB2 CYS 10 6.917 16.828 -5.031 68 HB3 CYS 10 HB1 CYS 10 8.244 16.376 -3.982 69 HN1 NH2 11 H1 CYS 10 5.417 19.475 -2.571 70 HN2 NH2 11 H2 CYS 10 3.810 19.081 -3.069 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 0.503 1.338 -0.961 2 H2 GLY 1 HT2 GLY 1 0.416 -0.010 -1.975 3 H3 GLY 1 HT3 GLY 1 -0.200 1.482 -2.487 4 HA2 GLY 1 HA1 GLY 1 2.644 0.905 -1.936 5 HA3 GLY 1 HA2 GLY 1 1.920 0.997 -3.534 6 H PHE 2 HN PHE 2 4.075 2.591 -2.436 7 HA PHE 2 HA PHE 2 2.889 5.238 -2.780 8 HB2 PHE 2 HB2 PHE 2 5.025 4.515 -0.756 9 HB3 PHE 2 HB1 PHE 2 4.486 6.145 -1.127 10 HD1 PHE 2 HD1 PHE 2 3.735 3.052 0.637 11 HD2 PHE 2 HD2 PHE 2 2.284 6.914 -0.396 12 HE1 PHE 2 HE1 PHE 2 2.024 2.874 2.393 13 HE2 PHE 2 HE2 PHE 2 0.570 6.743 1.356 14 HZ PHE 2 HZ PHE 2 0.438 4.722 2.755 15 H ARG 3 HN ARG 3 3.599 5.142 -4.892 16 HA ARG 3 HA ARG 3 6.486 4.974 -5.311 17 HB2 ARG 3 HB2 ARG 3 4.345 5.226 -7.397 18 HB3 ARG 3 HB1 ARG 3 6.029 4.822 -7.665 19 HG2 ARG 3 HG2 ARG 3 5.652 2.752 -6.254 20 HG3 ARG 3 HG1 ARG 3 3.929 3.107 -6.357 21 HD2 ARG 3 HD2 ARG 3 5.736 2.723 -8.745 22 HD3 ARG 3 HD1 ARG 3 4.748 1.449 -8.040 23 HE ARG 3 HE ARG 3 2.883 3.250 -8.551 24 HH11 ARG 3 HH11 ARG 3 5.508 2.091 -10.567 25 HH12 ARG 3 HH12 ARG 3 4.722 2.483 -12.056 26 HH21 ARG 3 HH21 ARG 3 1.828 3.779 -10.527 27 HH22 ARG 3 HH22 ARG 3 2.612 3.449 -12.031 28 H SER 4 HN SER 4 7.071 6.967 -4.410 29 HA SER 4 HA SER 4 6.685 9.202 -6.233 30 HB2 SER 4 HB2 SER 4 6.118 9.401 -3.266 31 HB3 SER 4 HB1 SER 4 6.130 10.755 -4.397 32 HG SER 4 HG SER 4 4.531 9.162 -5.532 33 HA PRO 5 HA PRO 5 11.046 9.131 -5.084 34 HB2 PRO 5 HB2 PRO 5 11.969 10.476 -7.199 35 HB3 PRO 5 HB1 PRO 5 11.369 8.821 -7.361 36 HG2 PRO 5 HG2 PRO 5 9.996 11.401 -8.005 37 HG3 PRO 5 HG1 PRO 5 10.036 9.894 -8.938 38 HD2 PRO 5 HD2 PRO 5 7.959 10.642 -7.302 39 HD3 PRO 5 HD1 PRO 5 8.340 8.959 -7.717 40 H CYS 6 HN CYS 6 9.210 11.095 -3.961 41 HA CYS 6 HA CYS 6 11.124 13.103 -3.209 42 HB2 CYS 6 HB2 CYS 6 9.500 14.962 -3.801 43 HB3 CYS 6 HB1 CYS 6 10.380 14.256 -5.163 44 H ALA 7 HN ALA 7 9.698 11.044 -1.890 45 HA ALA 7 HA ALA 7 7.558 12.514 -0.552 46 HB1 ALA 7 HB1 ALA 7 6.851 10.447 -1.625 47 HB2 ALA 7 HB2 ALA 7 6.680 10.334 0.127 48 HB3 ALA 7 HB3 ALA 7 8.031 9.541 -0.681 49 HA PRO 8 HA PRO 8 6.311 12.269 0.896 50 HB2 PRO 8 HB2 PRO 8 5.463 13.060 3.259 51 HB3 PRO 8 HB1 PRO 8 5.908 11.365 3.010 52 HG2 PRO 8 HG2 PRO 8 7.457 13.557 4.339 53 HG3 PRO 8 HG1 PRO 8 7.282 11.859 4.824 54 HD2 PRO 8 HD2 PRO 8 9.431 12.939 3.386 55 HD3 PRO 8 HD1 PRO 8 9.037 11.213 3.512 56 H PHE 9 HN PHE 9 8.341 14.235 0.129 57 HA PHE 9 HA PHE 9 6.953 16.695 0.940 58 HB2 PHE 9 HB2 PHE 9 9.954 16.411 0.830 59 HB3 PHE 9 HB1 PHE 9 9.077 17.903 1.129 60 HD1 PHE 9 HD1 PHE 9 7.995 18.292 3.263 61 HD2 PHE 9 HD2 PHE 9 10.139 14.712 2.491 62 HE1 PHE 9 HE1 PHE 9 8.047 17.824 5.676 63 HE2 PHE 9 HE2 PHE 9 10.207 14.231 4.916 64 HZ PHE 9 HZ PHE 9 9.155 15.789 6.506 65 H CYS 10 HN CYS 10 5.985 16.371 -1.218 66 HA CYS 10 HA CYS 10 7.222 18.257 -2.951 67 HB2 CYS 10 HB2 CYS 10 7.101 16.844 -5.011 68 HB3 CYS 10 HB1 CYS 10 8.365 16.389 -3.883 69 HN1 NH2 11 H1 CYS 10 5.357 19.327 -2.255 70 HN2 NH2 11 H2 CYS 10 3.828 19.015 -2.995 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 -2.762 5.654 -3.482 2 H2 GLY 1 HT2 GLY 1 -2.813 3.980 -3.274 3 H3 GLY 1 HT3 GLY 1 -2.075 4.643 -4.643 4 HA2 GLY 1 HA1 GLY 1 -1.138 4.938 -1.851 5 HA3 GLY 1 HA2 GLY 1 -0.414 3.906 -3.077 6 H PHE 2 HN PHE 2 1.284 5.596 -1.983 7 HA PHE 2 HA PHE 2 1.674 7.639 -4.024 8 HB2 PHE 2 HB2 PHE 2 1.771 8.103 -1.044 9 HB3 PHE 2 HB1 PHE 2 2.562 9.165 -2.199 10 HD1 PHE 2 HD1 PHE 2 -0.595 8.130 -0.734 11 HD2 PHE 2 HD2 PHE 2 1.228 10.533 -3.732 12 HE1 PHE 2 HE1 PHE 2 -2.687 9.399 -0.984 13 HE2 PHE 2 HE2 PHE 2 -0.861 11.804 -3.990 14 HZ PHE 2 HZ PHE 2 -2.822 11.238 -2.613 15 H ARG 3 HN ARG 3 3.227 6.252 -4.871 16 HA ARG 3 HA ARG 3 5.694 6.222 -3.283 17 HB2 ARG 3 HB2 ARG 3 4.945 4.468 -5.616 18 HB3 ARG 3 HB1 ARG 3 6.520 4.468 -4.840 19 HG2 ARG 3 HG2 ARG 3 5.322 3.914 -2.673 20 HG3 ARG 3 HG1 ARG 3 3.894 3.603 -3.654 21 HD2 ARG 3 HD2 ARG 3 6.543 2.243 -4.097 22 HD3 ARG 3 HD1 ARG 3 5.290 1.591 -3.049 23 HE ARG 3 HE ARG 3 3.938 1.878 -5.319 24 HH11 ARG 3 HH11 ARG 3 7.118 0.526 -4.722 25 HH12 ARG 3 HH12 ARG 3 7.047 -0.566 -6.061 26 HH21 ARG 3 HH21 ARG 3 3.850 0.424 -7.111 27 HH22 ARG 3 HH22 ARG 3 5.197 -0.626 -7.418 28 H SER 4 HN SER 4 6.288 8.276 -3.735 29 HA SER 4 HA SER 4 6.988 8.831 -6.538 30 HB2 SER 4 HB2 SER 4 6.278 10.892 -4.445 31 HB3 SER 4 HB1 SER 4 6.471 11.145 -6.180 32 HG SER 4 HG SER 4 4.672 9.290 -5.982 33 HA PRO 5 HA PRO 5 11.134 9.170 -4.969 34 HB2 PRO 5 HB2 PRO 5 12.284 10.526 -6.996 35 HB3 PRO 5 HB1 PRO 5 11.761 8.847 -7.169 36 HG2 PRO 5 HG2 PRO 5 10.370 11.355 -8.029 37 HG3 PRO 5 HG1 PRO 5 10.596 9.840 -8.921 38 HD2 PRO 5 HD2 PRO 5 8.288 10.454 -7.641 39 HD3 PRO 5 HD1 PRO 5 8.870 8.787 -7.820 40 H CYS 6 HN CYS 6 9.282 11.116 -3.971 41 HA CYS 6 HA CYS 6 11.119 13.158 -3.120 42 HB2 CYS 6 HB2 CYS 6 9.502 14.993 -3.774 43 HB3 CYS 6 HB1 CYS 6 10.418 14.293 -5.115 44 H ALA 7 HN ALA 7 9.666 11.038 -1.893 45 HA ALA 7 HA ALA 7 7.518 12.493 -0.554 46 HB1 ALA 7 HB1 ALA 7 6.585 10.343 0.064 47 HB2 ALA 7 HB2 ALA 7 7.979 9.515 -0.623 48 HB3 ALA 7 HB3 ALA 7 6.867 10.390 -1.677 49 HA PRO 8 HA PRO 8 6.296 12.314 0.895 50 HB2 PRO 8 HB2 PRO 8 5.479 13.111 3.268 51 HB3 PRO 8 HB1 PRO 8 5.878 11.406 3.007 52 HG2 PRO 8 HG2 PRO 8 7.494 13.545 4.340 53 HG3 PRO 8 HG1 PRO 8 7.268 11.851 4.815 54 HD2 PRO 8 HD2 PRO 8 9.442 12.873 3.375 55 HD3 PRO 8 HD1 PRO 8 8.994 11.160 3.496 56 H PHE 9 HN PHE 9 8.331 14.218 0.074 57 HA PHE 9 HA PHE 9 7.053 16.713 0.963 58 HB2 PHE 9 HB2 PHE 9 10.036 16.345 0.698 59 HB3 PHE 9 HB1 PHE 9 9.217 17.849 1.080 60 HD1 PHE 9 HD1 PHE 9 8.248 18.203 3.281 61 HD2 PHE 9 HD2 PHE 9 10.299 14.613 2.317 62 HE1 PHE 9 HE1 PHE 9 8.438 17.685 5.677 63 HE2 PHE 9 HE2 PHE 9 10.505 14.084 4.722 64 HZ PHE 9 HZ PHE 9 9.570 15.621 6.400 65 H CYS 10 HN CYS 10 5.990 16.368 -1.199 66 HA CYS 10 HA CYS 10 7.169 18.269 -2.956 67 HB2 CYS 10 HB2 CYS 10 7.062 16.867 -5.024 68 HB3 CYS 10 HB1 CYS 10 8.339 16.420 -3.912 69 HN1 NH2 11 H1 CYS 10 5.304 19.346 -2.304 70 HN2 NH2 11 H2 CYS 10 3.767 18.992 -3.010 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 1.105 1.336 -1.017 2 H2 GLY 1 HT2 GLY 1 1.328 -0.188 -1.708 3 H3 GLY 1 HT3 GLY 1 0.622 1.055 -2.607 4 HA2 GLY 1 HA1 GLY 1 3.398 1.043 -1.612 5 HA3 GLY 1 HA2 GLY 1 2.912 0.686 -3.264 6 H PHE 2 HN PHE 2 4.676 2.770 -2.436 7 HA PHE 2 HA PHE 2 3.274 5.016 -3.606 8 HB2 PHE 2 HB2 PHE 2 4.611 5.129 -0.905 9 HB3 PHE 2 HB1 PHE 2 4.367 6.563 -1.894 10 HD1 PHE 2 HD1 PHE 2 2.869 4.226 0.392 11 HD2 PHE 2 HD2 PHE 2 2.029 7.243 -2.485 12 HE1 PHE 2 HE1 PHE 2 0.598 4.455 1.302 13 HE2 PHE 2 HE2 PHE 2 -0.245 7.479 -1.580 14 HZ PHE 2 HZ PHE 2 -0.964 6.083 0.318 15 H ARG 3 HN ARG 3 4.523 4.631 -5.375 16 HA ARG 3 HA ARG 3 7.405 4.829 -5.135 17 HB2 ARG 3 HB2 ARG 3 5.650 4.499 -7.560 18 HB3 ARG 3 HB1 ARG 3 7.403 4.548 -7.602 19 HG2 ARG 3 HG2 ARG 3 7.444 2.561 -6.095 20 HG3 ARG 3 HG1 ARG 3 5.692 2.460 -6.265 21 HD2 ARG 3 HD2 ARG 3 7.554 2.444 -8.625 22 HD3 ARG 3 HD1 ARG 3 7.095 0.971 -7.776 23 HE ARG 3 HE ARG 3 4.705 1.909 -8.331 24 HH11 ARG 3 HH11 ARG 3 7.538 1.870 -10.401 25 HH12 ARG 3 HH12 ARG 3 6.629 1.705 -11.863 26 HH21 ARG 3 HH21 ARG 3 3.496 1.688 -10.271 27 HH22 ARG 3 HH22 ARG 3 4.323 1.621 -11.792 28 H SER 4 HN SER 4 7.690 6.904 -4.407 29 HA SER 4 HA SER 4 7.392 8.959 -6.457 30 HB2 SER 4 HB2 SER 4 6.523 9.333 -3.581 31 HB3 SER 4 HB1 SER 4 6.525 10.579 -4.829 32 HG SER 4 HG SER 4 5.147 8.855 -5.971 33 HA PRO 5 HA PRO 5 11.583 9.363 -4.861 34 HB2 PRO 5 HB2 PRO 5 12.571 10.791 -6.902 35 HB3 PRO 5 HB1 PRO 5 12.194 9.072 -7.081 36 HG2 PRO 5 HG2 PRO 5 10.603 11.458 -7.940 37 HG3 PRO 5 HG1 PRO 5 10.923 9.952 -8.820 38 HD2 PRO 5 HD2 PRO 5 8.603 10.460 -7.451 39 HD3 PRO 5 HD1 PRO 5 9.238 8.829 -7.750 40 H CYS 6 HN CYS 6 9.442 11.095 -3.949 41 HA CYS 6 HA CYS 6 11.032 13.308 -3.062 42 HB2 CYS 6 HB2 CYS 6 9.401 15.022 -3.823 43 HB3 CYS 6 HB1 CYS 6 10.303 14.289 -5.151 44 H ALA 7 HN ALA 7 9.728 11.107 -1.831 45 HA ALA 7 HA ALA 7 7.492 12.468 -0.521 46 HB1 ALA 7 HB1 ALA 7 6.847 10.404 -1.691 47 HB2 ALA 7 HB2 ALA 7 6.602 10.274 0.051 48 HB3 ALA 7 HB3 ALA 7 7.994 9.499 -0.704 49 HA PRO 8 HA PRO 8 6.285 12.317 0.939 50 HB2 PRO 8 HB2 PRO 8 5.519 13.166 3.311 51 HB3 PRO 8 HB1 PRO 8 5.882 11.451 3.066 52 HG2 PRO 8 HG2 PRO 8 7.553 13.573 4.359 53 HG3 PRO 8 HG1 PRO 8 7.313 11.884 4.849 54 HD2 PRO 8 HD2 PRO 8 9.474 12.878 3.356 55 HD3 PRO 8 HD1 PRO 8 9.023 11.171 3.519 56 H PHE 9 HN PHE 9 8.321 14.182 0.043 57 HA PHE 9 HA PHE 9 7.099 16.706 0.913 58 HB2 PHE 9 HB2 PHE 9 10.074 16.283 0.653 59 HB3 PHE 9 HB1 PHE 9 9.283 17.816 0.988 60 HD1 PHE 9 HD1 PHE 9 8.277 18.239 3.162 61 HD2 PHE 9 HD2 PHE 9 10.301 14.603 2.321 62 HE1 PHE 9 HE1 PHE 9 8.412 17.773 5.573 63 HE2 PHE 9 HE2 PHE 9 10.452 14.128 4.741 64 HZ PHE 9 HZ PHE 9 9.502 15.714 6.365 65 H CYS 10 HN CYS 10 6.001 16.381 -1.202 66 HA CYS 10 HA CYS 10 7.178 18.252 -2.988 67 HB2 CYS 10 HB2 CYS 10 6.961 16.862 -5.054 68 HB3 CYS 10 HB1 CYS 10 8.270 16.390 -3.990 69 HN1 NH2 11 H1 CYS 10 5.352 19.333 -2.213 70 HN2 NH2 11 H2 CYS 10 3.798 19.053 -2.913 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 -2.807 4.541 -5.231 2 H2 GLY 1 HT2 GLY 1 -2.737 3.120 -6.147 3 H3 GLY 1 HT3 GLY 1 -2.476 4.619 -6.882 4 HA2 GLY 1 HA1 GLY 1 -0.740 3.402 -4.824 5 HA3 GLY 1 HA2 GLY 1 -0.400 3.440 -6.549 6 H PHE 2 HN PHE 2 1.426 4.511 -4.861 7 HA PHE 2 HA PHE 2 1.301 7.316 -5.584 8 HB2 PHE 2 HB2 PHE 2 1.743 6.352 -2.751 9 HB3 PHE 2 HB1 PHE 2 2.196 7.957 -3.305 10 HD1 PHE 2 HD1 PHE 2 -0.446 5.866 -2.083 11 HD2 PHE 2 HD2 PHE 2 0.385 9.496 -4.133 12 HE1 PHE 2 HE1 PHE 2 -2.714 6.669 -1.568 13 HE2 PHE 2 HE2 PHE 2 -1.883 10.308 -3.624 14 HZ PHE 2 HZ PHE 2 -3.434 8.895 -2.339 15 H ARG 3 HN ARG 3 2.890 6.755 -7.085 16 HA ARG 3 HA ARG 3 5.474 6.017 -5.937 17 HB2 ARG 3 HB2 ARG 3 4.517 6.087 -8.782 18 HB3 ARG 3 HB1 ARG 3 6.210 5.900 -8.361 19 HG2 ARG 3 HG2 ARG 3 5.518 3.886 -6.983 20 HG3 ARG 3 HG1 ARG 3 3.947 4.007 -7.779 21 HD2 ARG 3 HD2 ARG 3 6.527 3.862 -9.312 22 HD3 ARG 3 HD1 ARG 3 5.650 2.420 -8.814 23 HE ARG 3 HE ARG 3 3.727 3.616 -10.090 24 HH11 ARG 3 HH11 ARG 3 7.114 3.635 -11.006 25 HH12 ARG 3 HH12 ARG 3 6.794 3.599 -12.701 26 HH21 ARG 3 HH21 ARG 3 3.292 3.581 -12.340 27 HH22 ARG 3 HH22 ARG 3 4.600 3.591 -13.465 28 H SER 4 HN SER 4 5.982 7.932 -4.954 29 HA SER 4 HA SER 4 6.630 10.122 -6.797 30 HB2 SER 4 HB2 SER 4 5.804 10.406 -3.904 31 HB3 SER 4 HB1 SER 4 6.099 11.711 -5.055 32 HG SER 4 HG SER 4 4.326 10.219 -6.216 33 HA PRO 5 HA PRO 5 10.653 9.032 -5.022 34 HB2 PRO 5 HB2 PRO 5 12.148 10.183 -6.926 35 HB3 PRO 5 HB1 PRO 5 11.284 8.673 -7.233 36 HG2 PRO 5 HG2 PRO 5 10.532 11.470 -7.996 37 HG3 PRO 5 HG1 PRO 5 10.449 9.986 -8.964 38 HD2 PRO 5 HD2 PRO 5 8.296 11.081 -7.681 39 HD3 PRO 5 HD1 PRO 5 8.450 9.350 -8.039 40 H CYS 6 HN CYS 6 9.097 11.232 -4.071 41 HA CYS 6 HA CYS 6 11.178 13.023 -3.157 42 HB2 CYS 6 HB2 CYS 6 9.639 14.988 -3.757 43 HB3 CYS 6 HB1 CYS 6 10.602 14.296 -5.072 44 H ALA 7 HN ALA 7 9.526 11.033 -1.981 45 HA ALA 7 HA ALA 7 7.520 12.601 -0.549 46 HB1 ALA 7 HB1 ALA 7 6.568 10.441 0.119 47 HB2 ALA 7 HB2 ALA 7 7.877 9.607 -0.717 48 HB3 ALA 7 HB3 ALA 7 6.712 10.558 -1.635 49 HA PRO 8 HA PRO 8 6.299 12.267 0.986 50 HB2 PRO 8 HB2 PRO 8 5.579 13.067 3.398 51 HB3 PRO 8 HB1 PRO 8 5.983 11.369 3.112 52 HG2 PRO 8 HG2 PRO 8 7.631 13.520 4.384 53 HG3 PRO 8 HG1 PRO 8 7.460 11.817 4.852 54 HD2 PRO 8 HD2 PRO 8 9.544 12.893 3.322 55 HD3 PRO 8 HD1 PRO 8 9.135 11.172 3.445 56 H PHE 9 HN PHE 9 8.359 14.241 0.173 57 HA PHE 9 HA PHE 9 6.923 16.684 0.942 58 HB2 PHE 9 HB2 PHE 9 9.928 16.456 0.905 59 HB3 PHE 9 HB1 PHE 9 9.014 17.933 1.173 60 HD1 PHE 9 HD1 PHE 9 7.892 18.331 3.275 61 HD2 PHE 9 HD2 PHE 9 10.068 14.753 2.578 62 HE1 PHE 9 HE1 PHE 9 7.879 17.871 5.692 63 HE2 PHE 9 HE2 PHE 9 10.072 14.283 5.008 64 HZ PHE 9 HZ PHE 9 8.972 15.845 6.561 65 H CYS 10 HN CYS 10 6.007 16.289 -1.256 66 HA CYS 10 HA CYS 10 7.197 18.254 -2.925 67 HB2 CYS 10 HB2 CYS 10 7.266 16.907 -5.003 68 HB3 CYS 10 HB1 CYS 10 8.462 16.421 -3.818 69 HN1 NH2 11 H1 CYS 10 5.345 19.353 -2.520 70 HN2 NH2 11 H2 CYS 10 3.817 18.920 -3.198 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 1.623 1.350 -1.651 2 H2 GLY 1 HT2 GLY 1 1.087 -0.157 -2.170 3 H3 GLY 1 HT3 GLY 1 0.162 1.216 -2.485 4 HA2 GLY 1 HA1 GLY 1 2.839 0.630 -3.596 5 HA3 GLY 1 HA2 GLY 1 1.318 0.508 -4.469 6 H PHE 2 HN PHE 2 3.294 2.807 -2.625 7 HA PHE 2 HA PHE 2 2.723 4.836 -4.631 8 HB2 PHE 2 HB2 PHE 2 2.388 5.308 -1.660 9 HB3 PHE 2 HB1 PHE 2 2.351 6.555 -2.899 10 HD1 PHE 2 HD1 PHE 2 0.453 4.151 -1.055 11 HD2 PHE 2 HD2 PHE 2 0.501 6.429 -4.646 12 HE1 PHE 2 HE1 PHE 2 -1.970 3.811 -1.295 13 HE2 PHE 2 HE2 PHE 2 -1.926 6.096 -4.891 14 HZ PHE 2 HZ PHE 2 -3.163 4.785 -3.215 15 H ARG 3 HN ARG 3 4.834 4.512 -5.265 16 HA ARG 3 HA ARG 3 6.840 5.389 -3.310 17 HB2 ARG 3 HB2 ARG 3 7.274 3.752 -5.790 18 HB3 ARG 3 HB1 ARG 3 8.513 4.235 -4.646 19 HG2 ARG 3 HG2 ARG 3 7.385 2.956 -2.874 20 HG3 ARG 3 HG1 ARG 3 6.184 2.416 -4.045 21 HD2 ARG 3 HD2 ARG 3 9.131 1.954 -4.381 22 HD3 ARG 3 HD1 ARG 3 8.076 0.818 -3.544 23 HE ARG 3 HE ARG 3 6.789 0.991 -5.828 24 HH11 ARG 3 HH11 ARG 3 10.245 0.753 -5.285 25 HH12 ARG 3 HH12 ARG 3 10.564 -0.040 -6.788 26 HH21 ARG 3 HH21 ARG 3 7.205 -0.067 -7.831 27 HH22 ARG 3 HH22 ARG 3 8.823 -0.517 -8.235 28 H SER 4 HN SER 4 6.475 7.575 -3.698 29 HA SER 4 HA SER 4 7.224 8.569 -6.340 30 HB2 SER 4 HB2 SER 4 6.237 10.072 -3.907 31 HB3 SER 4 HB1 SER 4 6.461 10.744 -5.523 32 HG SER 4 HG SER 4 4.476 9.061 -4.539 33 HA PRO 5 HA PRO 5 11.365 9.188 -4.829 34 HB2 PRO 5 HB2 PRO 5 12.366 10.509 -6.953 35 HB3 PRO 5 HB1 PRO 5 11.977 8.787 -7.021 36 HG2 PRO 5 HG2 PRO 5 10.394 11.127 -8.009 37 HG3 PRO 5 HG1 PRO 5 10.698 9.570 -8.800 38 HD2 PRO 5 HD2 PRO 5 8.384 10.148 -7.481 39 HD3 PRO 5 HD1 PRO 5 9.043 8.505 -7.618 40 H CYS 6 HN CYS 6 9.337 11.063 -3.942 41 HA CYS 6 HA CYS 6 11.064 13.226 -3.154 42 HB2 CYS 6 HB2 CYS 6 9.437 14.976 -3.883 43 HB3 CYS 6 HB1 CYS 6 10.291 14.213 -5.225 44 H ALA 7 HN ALA 7 9.732 11.097 -1.850 45 HA ALA 7 HA ALA 7 7.524 12.494 -0.530 46 HB1 ALA 7 HB1 ALA 7 8.025 9.522 -0.688 47 HB2 ALA 7 HB2 ALA 7 6.860 10.419 -1.662 48 HB3 ALA 7 HB3 ALA 7 6.645 10.302 0.085 49 HA PRO 8 HA PRO 8 6.304 12.283 0.928 50 HB2 PRO 8 HB2 PRO 8 5.502 13.100 3.294 51 HB3 PRO 8 HB1 PRO 8 5.929 11.399 3.058 52 HG2 PRO 8 HG2 PRO 8 7.527 13.592 4.328 53 HG3 PRO 8 HG1 PRO 8 7.327 11.907 4.854 54 HD2 PRO 8 HD2 PRO 8 9.478 12.907 3.367 55 HD3 PRO 8 HD1 PRO 8 9.040 11.197 3.520 56 H PHE 9 HN PHE 9 8.329 14.218 0.085 57 HA PHE 9 HA PHE 9 6.966 16.681 0.911 58 HB2 PHE 9 HB2 PHE 9 9.960 16.365 0.851 59 HB3 PHE 9 HB1 PHE 9 9.109 17.887 1.077 60 HD1 PHE 9 HD1 PHE 9 8.022 18.391 3.175 61 HD2 PHE 9 HD2 PHE 9 10.028 14.701 2.568 62 HE1 PHE 9 HE1 PHE 9 8.002 18.002 5.602 63 HE2 PHE 9 HE2 PHE 9 10.025 14.300 5.010 64 HZ PHE 9 HZ PHE 9 9.007 15.951 6.524 65 H CYS 10 HN CYS 10 5.993 16.354 -1.237 66 HA CYS 10 HA CYS 10 7.223 18.250 -2.974 67 HB2 CYS 10 HB2 CYS 10 7.045 16.844 -5.036 68 HB3 CYS 10 HB1 CYS 10 8.316 16.358 -3.933 69 HN1 NH2 11 H1 CYS 10 5.536 19.556 -2.767 70 HN2 NH2 11 H2 CYS 10 3.919 19.171 -3.242 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 -1.074 2.265 -2.514 2 H2 GLY 1 HT2 GLY 1 -0.402 0.830 -1.925 3 H3 GLY 1 HT3 GLY 1 -0.199 1.257 -3.549 4 HA2 GLY 1 HA1 GLY 1 0.883 2.752 -1.239 5 HA3 GLY 1 HA2 GLY 1 1.808 1.663 -2.261 6 H PHE 2 HN PHE 2 2.557 4.298 -1.934 7 HA PHE 2 HA PHE 2 2.220 5.329 -4.636 8 HB2 PHE 2 HB2 PHE 2 1.964 7.057 -2.159 9 HB3 PHE 2 HB1 PHE 2 1.928 7.618 -3.821 10 HD1 PHE 2 HD1 PHE 2 0.027 6.308 -1.075 11 HD2 PHE 2 HD2 PHE 2 -0.006 6.950 -5.279 12 HE1 PHE 2 HE1 PHE 2 -2.417 6.057 -1.087 13 HE2 PHE 2 HE2 PHE 2 -2.455 6.702 -5.300 14 HZ PHE 2 HZ PHE 2 -3.663 6.255 -3.203 15 H ARG 3 HN ARG 3 4.322 4.614 -4.970 16 HA ARG 3 HA ARG 3 6.411 5.661 -3.251 17 HB2 ARG 3 HB2 ARG 3 6.515 3.864 -5.646 18 HB3 ARG 3 HB1 ARG 3 7.952 4.470 -4.846 19 HG2 ARG 3 HG2 ARG 3 7.100 3.436 -2.719 20 HG3 ARG 3 HG1 ARG 3 5.861 2.642 -3.693 21 HD2 ARG 3 HD2 ARG 3 8.804 2.411 -4.270 22 HD3 ARG 3 HD1 ARG 3 7.948 1.293 -3.213 23 HE ARG 3 HE ARG 3 6.459 1.061 -5.355 24 HH11 ARG 3 HH11 ARG 3 9.956 1.293 -5.190 25 HH12 ARG 3 HH12 ARG 3 10.210 0.344 -6.613 26 HH21 ARG 3 HH21 ARG 3 6.808 -0.206 -7.237 27 HH22 ARG 3 HH22 ARG 3 8.423 -0.520 -7.767 28 H SER 4 HN SER 4 6.282 7.833 -3.606 29 HA SER 4 HA SER 4 6.963 8.773 -6.285 30 HB2 SER 4 HB2 SER 4 6.100 10.314 -3.830 31 HB3 SER 4 HB1 SER 4 6.358 10.996 -5.435 32 HG SER 4 HG SER 4 4.167 9.852 -4.450 33 HA PRO 5 HA PRO 5 11.171 9.148 -4.874 34 HB2 PRO 5 HB2 PRO 5 12.183 10.447 -7.007 35 HB3 PRO 5 HB1 PRO 5 11.711 8.746 -7.080 36 HG2 PRO 5 HG2 PRO 5 10.209 11.166 -7.994 37 HG3 PRO 5 HG1 PRO 5 10.429 9.611 -8.818 38 HD2 PRO 5 HD2 PRO 5 8.174 10.252 -7.449 39 HD3 PRO 5 HD1 PRO 5 8.774 8.588 -7.595 40 H CYS 6 HN CYS 6 9.281 11.109 -3.926 41 HA CYS 6 HA CYS 6 11.119 13.169 -3.139 42 HB2 CYS 6 HB2 CYS 6 9.510 14.992 -3.822 43 HB3 CYS 6 HB1 CYS 6 10.396 14.252 -5.163 44 H ALA 7 HN ALA 7 9.693 11.077 -1.871 45 HA ALA 7 HA ALA 7 7.536 12.538 -0.545 46 HB1 ALA 7 HB1 ALA 7 6.819 10.509 -1.718 47 HB2 ALA 7 HB2 ALA 7 6.565 10.385 0.022 48 HB3 ALA 7 HB3 ALA 7 7.928 9.557 -0.730 49 HA PRO 8 HA PRO 8 6.291 12.324 0.895 50 HB2 PRO 8 HB2 PRO 8 5.484 13.134 3.269 51 HB3 PRO 8 HB1 PRO 8 5.842 11.423 2.994 52 HG2 PRO 8 HG2 PRO 8 7.486 13.503 4.379 53 HG3 PRO 8 HG1 PRO 8 7.252 11.797 4.803 54 HD2 PRO 8 HD2 PRO 8 9.426 12.871 3.374 55 HD3 PRO 8 HD1 PRO 8 9.004 11.152 3.495 56 H PHE 9 HN PHE 9 8.352 14.225 0.081 57 HA PHE 9 HA PHE 9 7.043 16.712 0.947 58 HB2 PHE 9 HB2 PHE 9 10.034 16.396 0.709 59 HB3 PHE 9 HB1 PHE 9 9.172 17.874 1.105 60 HD1 PHE 9 HD1 PHE 9 8.152 18.165 3.295 61 HD2 PHE 9 HD2 PHE 9 10.335 14.657 2.306 62 HE1 PHE 9 HE1 PHE 9 8.312 17.607 5.683 63 HE2 PHE 9 HE2 PHE 9 10.512 14.091 4.706 64 HZ PHE 9 HZ PHE 9 9.495 15.567 6.392 65 H CYS 10 HN CYS 10 6.004 16.352 -1.203 66 HA CYS 10 HA CYS 10 7.163 18.261 -2.963 67 HB2 CYS 10 HB2 CYS 10 7.051 16.842 -5.021 68 HB3 CYS 10 HB1 CYS 10 8.339 16.411 -3.909 69 HN1 NH2 11 H1 CYS 10 5.367 19.452 -2.588 70 HN2 NH2 11 H2 CYS 10 3.793 19.024 -3.157 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 -2.367 3.412 -4.008 2 H2 GLY 1 HT2 GLY 1 -1.897 1.793 -4.127 3 H3 GLY 1 HT3 GLY 1 -1.438 2.895 -5.321 4 HA2 GLY 1 HA1 GLY 1 -0.563 2.920 -2.492 5 HA3 GLY 1 HA2 GLY 1 0.409 2.415 -3.865 6 H PHE 2 HN PHE 2 1.582 4.237 -2.462 7 HA PHE 2 HA PHE 2 1.361 6.671 -4.048 8 HB2 PHE 2 HB2 PHE 2 1.577 6.618 -1.029 9 HB3 PHE 2 HB1 PHE 2 1.758 8.048 -2.033 10 HD1 PHE 2 HD1 PHE 2 -0.578 5.684 -0.547 11 HD2 PHE 2 HD2 PHE 2 -0.192 9.032 -3.137 12 HE1 PHE 2 HE1 PHE 2 -3.000 6.081 -0.386 13 HE2 PHE 2 HE2 PHE 2 -2.612 9.435 -2.980 14 HZ PHE 2 HZ PHE 2 -4.019 7.960 -1.605 15 H ARG 3 HN ARG 3 3.197 5.972 -5.095 16 HA ARG 3 HA ARG 3 5.606 6.036 -3.422 17 HB2 ARG 3 HB2 ARG 3 5.202 4.535 -5.996 18 HB3 ARG 3 HB1 ARG 3 6.714 4.636 -5.113 19 HG2 ARG 3 HG2 ARG 3 5.639 3.557 -3.166 20 HG3 ARG 3 HG1 ARG 3 4.166 3.368 -4.116 21 HD2 ARG 3 HD2 ARG 3 6.823 2.263 -4.982 22 HD3 ARG 3 HD1 ARG 3 5.702 1.354 -3.972 23 HE ARG 3 HE ARG 3 4.106 1.931 -5.992 24 HH11 ARG 3 HH11 ARG 3 7.441 0.844 -6.060 25 HH12 ARG 3 HH12 ARG 3 7.291 0.071 -7.596 26 HH21 ARG 3 HH21 ARG 3 3.909 0.932 -8.025 27 HH22 ARG 3 HH22 ARG 3 5.260 0.115 -8.724 28 H SER 4 HN SER 4 5.776 8.268 -3.632 29 HA SER 4 HA SER 4 6.438 9.248 -6.319 30 HB2 SER 4 HB2 SER 4 6.099 10.819 -3.755 31 HB3 SER 4 HB1 SER 4 6.239 11.481 -5.383 32 HG SER 4 HG SER 4 4.136 9.907 -4.317 33 HA PRO 5 HA PRO 5 10.752 9.041 -5.166 34 HB2 PRO 5 HB2 PRO 5 11.808 10.340 -7.272 35 HB3 PRO 5 HB1 PRO 5 11.095 8.732 -7.443 36 HG2 PRO 5 HG2 PRO 5 9.911 11.404 -8.089 37 HG3 PRO 5 HG1 PRO 5 9.851 9.899 -9.023 38 HD2 PRO 5 HD2 PRO 5 7.808 10.774 -7.433 39 HD3 PRO 5 HD1 PRO 5 8.104 9.062 -7.794 40 H CYS 6 HN CYS 6 9.125 11.098 -3.998 41 HA CYS 6 HA CYS 6 11.133 13.025 -3.265 42 HB2 CYS 6 HB2 CYS 6 9.527 14.928 -3.813 43 HB3 CYS 6 HB1 CYS 6 10.403 14.230 -5.182 44 H ALA 7 HN ALA 7 9.648 11.006 -1.937 45 HA ALA 7 HA ALA 7 7.565 12.508 -0.532 46 HB1 ALA 7 HB1 ALA 7 6.861 10.391 -1.546 47 HB2 ALA 7 HB2 ALA 7 6.726 10.333 0.211 48 HB3 ALA 7 HB3 ALA 7 8.074 9.533 -0.597 49 HA PRO 8 HA PRO 8 6.357 12.199 0.952 50 HB2 PRO 8 HB2 PRO 8 5.532 12.982 3.329 51 HB3 PRO 8 HB1 PRO 8 6.037 11.305 3.079 52 HG2 PRO 8 HG2 PRO 8 7.527 13.565 4.360 53 HG3 PRO 8 HG1 PRO 8 7.434 11.861 4.856 54 HD2 PRO 8 HD2 PRO 8 9.504 13.027 3.361 55 HD3 PRO 8 HD1 PRO 8 9.189 11.289 3.510 56 H PHE 9 HN PHE 9 8.399 14.293 0.254 57 HA PHE 9 HA PHE 9 6.739 16.635 0.887 58 HB2 PHE 9 HB2 PHE 9 9.748 16.629 1.086 59 HB3 PHE 9 HB1 PHE 9 8.715 18.039 1.247 60 HD1 PHE 9 HD1 PHE 9 7.515 18.464 3.256 61 HD2 PHE 9 HD2 PHE 9 9.751 14.896 2.772 62 HE1 PHE 9 HE1 PHE 9 7.329 18.045 5.670 63 HE2 PHE 9 HE2 PHE 9 9.583 14.463 5.204 64 HZ PHE 9 HZ PHE 9 8.367 16.040 6.649 65 H CYS 10 HN CYS 10 5.955 16.366 -1.283 66 HA CYS 10 HA CYS 10 7.301 18.256 -2.938 67 HB2 CYS 10 HB2 CYS 10 7.250 16.859 -5.001 68 HB3 CYS 10 HB1 CYS 10 8.429 16.350 -3.808 69 HN1 NH2 11 H1 CYS 10 5.651 19.596 -2.917 70 HN2 NH2 11 H2 CYS 10 4.054 19.228 -3.465 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 -0.678 2.278 -2.568 2 H2 GLY 1 HT2 GLY 1 -0.345 0.746 -3.204 3 H3 GLY 1 HT3 GLY 1 -0.309 2.105 -4.205 4 HA2 GLY 1 HA1 GLY 1 1.548 1.587 -1.965 5 HA3 GLY 1 HA2 GLY 1 1.918 1.380 -3.671 6 H PHE 2 HN PHE 2 3.634 2.965 -2.630 7 HA PHE 2 HA PHE 2 2.772 5.634 -3.418 8 HB2 PHE 2 HB2 PHE 2 4.276 4.982 -0.876 9 HB3 PHE 2 HB1 PHE 2 4.140 6.599 -1.551 10 HD1 PHE 2 HD1 PHE 2 2.440 3.941 0.256 11 HD2 PHE 2 HD2 PHE 2 1.993 7.768 -1.544 12 HE1 PHE 2 HE1 PHE 2 0.319 4.253 1.457 13 HE2 PHE 2 HE2 PHE 2 -0.130 8.089 -0.345 14 HZ PHE 2 HZ PHE 2 -0.970 6.330 1.160 15 H ARG 3 HN ARG 3 3.860 5.259 -5.311 16 HA ARG 3 HA ARG 3 6.768 5.043 -5.099 17 HB2 ARG 3 HB2 ARG 3 4.965 4.797 -7.500 18 HB3 ARG 3 HB1 ARG 3 6.716 4.726 -7.568 19 HG2 ARG 3 HG2 ARG 3 6.657 2.773 -6.033 20 HG3 ARG 3 HG1 ARG 3 4.898 2.787 -6.154 21 HD2 ARG 3 HD2 ARG 3 6.587 2.686 -8.618 22 HD3 ARG 3 HD1 ARG 3 6.292 1.218 -7.696 23 HE ARG 3 HE ARG 3 3.803 2.253 -8.090 24 HH11 ARG 3 HH11 ARG 3 6.461 1.430 -10.216 25 HH12 ARG 3 HH12 ARG 3 5.452 0.980 -11.543 26 HH21 ARG 3 HH21 ARG 3 2.434 1.670 -9.849 27 HH22 ARG 3 HH22 ARG 3 3.133 1.105 -11.323 28 H SER 4 HN SER 4 7.193 7.105 -4.401 29 HA SER 4 HA SER 4 7.040 9.132 -6.493 30 HB2 SER 4 HB2 SER 4 6.284 9.631 -3.603 31 HB3 SER 4 HB1 SER 4 6.331 10.841 -4.884 32 HG SER 4 HG SER 4 4.218 10.148 -4.626 33 HA PRO 5 HA PRO 5 11.290 9.229 -5.009 34 HB2 PRO 5 HB2 PRO 5 12.329 10.618 -7.051 35 HB3 PRO 5 HB1 PRO 5 11.808 8.940 -7.257 36 HG2 PRO 5 HG2 PRO 5 10.395 11.467 -8.016 37 HG3 PRO 5 HG1 PRO 5 10.559 9.960 -8.935 38 HD2 PRO 5 HD2 PRO 5 8.334 10.635 -7.474 39 HD3 PRO 5 HD1 PRO 5 8.811 8.965 -7.840 40 H CYS 6 HN CYS 6 9.330 11.087 -3.980 41 HA CYS 6 HA CYS 6 11.081 13.208 -3.140 42 HB2 CYS 6 HB2 CYS 6 9.437 14.984 -3.804 43 HB3 CYS 6 HB1 CYS 6 10.328 14.277 -5.156 44 H ALA 7 HN ALA 7 9.726 11.070 -1.854 45 HA ALA 7 HA ALA 7 7.512 12.463 -0.546 46 HB1 ALA 7 HB1 ALA 7 6.893 10.358 -1.648 47 HB2 ALA 7 HB2 ALA 7 6.662 10.269 0.097 48 HB3 ALA 7 HB3 ALA 7 8.060 9.496 -0.648 49 HA PRO 8 HA PRO 8 6.294 12.285 0.906 50 HB2 PRO 8 HB2 PRO 8 5.461 13.111 3.261 51 HB3 PRO 8 HB1 PRO 8 5.892 11.410 3.038 52 HG2 PRO 8 HG2 PRO 8 7.479 13.613 4.310 53 HG3 PRO 8 HG1 PRO 8 7.267 11.936 4.850 54 HD2 PRO 8 HD2 PRO 8 9.441 12.908 3.387 55 HD3 PRO 8 HD1 PRO 8 8.985 11.200 3.536 56 H PHE 9 HN PHE 9 8.373 14.211 0.117 57 HA PHE 9 HA PHE 9 7.054 16.711 0.947 58 HB2 PHE 9 HB2 PHE 9 10.036 16.336 0.705 59 HB3 PHE 9 HB1 PHE 9 9.218 17.854 1.035 60 HD1 PHE 9 HD1 PHE 9 8.275 18.302 3.208 61 HD2 PHE 9 HD2 PHE 9 10.219 14.623 2.366 62 HE1 PHE 9 HE1 PHE 9 8.426 17.846 5.618 63 HE2 PHE 9 HE2 PHE 9 10.384 14.157 4.788 64 HZ PHE 9 HZ PHE 9 9.482 15.770 6.410 65 H CYS 10 HN CYS 10 5.989 16.377 -1.198 66 HA CYS 10 HA CYS 10 7.193 18.255 -2.961 67 HB2 CYS 10 HB2 CYS 10 7.038 16.856 -5.025 68 HB3 CYS 10 HB1 CYS 10 8.312 16.384 -3.920 69 HN1 NH2 11 H1 CYS 10 5.422 19.457 -2.472 70 HN2 NH2 11 H2 CYS 10 3.844 19.110 -3.089 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 1.796 0.036 -2.988 2 H2 GLY 1 HT2 GLY 1 1.684 -0.988 -4.329 3 H3 GLY 1 HT3 GLY 1 1.382 0.667 -4.497 4 HA2 GLY 1 HA1 GLY 1 3.976 -0.577 -3.837 5 HA3 GLY 1 HA2 GLY 1 3.540 0.158 -5.372 6 H PHE 2 HN PHE 2 5.690 1.255 -4.515 7 HA PHE 2 HA PHE 2 4.857 3.805 -3.375 8 HB2 PHE 2 HB2 PHE 2 7.323 2.342 -2.419 9 HB3 PHE 2 HB1 PHE 2 6.748 3.909 -1.874 10 HD1 PHE 2 HD1 PHE 2 6.523 0.334 -1.478 11 HD2 PHE 2 HD2 PHE 2 4.645 4.025 -0.524 12 HE1 PHE 2 HE1 PHE 2 5.268 -0.777 0.317 13 HE2 PHE 2 HE2 PHE 2 3.387 2.920 1.278 14 HZ PHE 2 HZ PHE 2 3.696 0.517 1.697 15 H ARG 3 HN ARG 3 5.114 4.590 -5.484 16 HA ARG 3 HA ARG 3 7.944 4.906 -6.202 17 HB2 ARG 3 HB2 ARG 3 5.579 4.862 -8.059 18 HB3 ARG 3 HB1 ARG 3 7.205 5.310 -8.542 19 HG2 ARG 3 HG2 ARG 3 7.984 3.050 -7.796 20 HG3 ARG 3 HG1 ARG 3 6.294 2.611 -7.565 21 HD2 ARG 3 HD2 ARG 3 7.400 3.626 -10.174 22 HD3 ARG 3 HD1 ARG 3 7.332 1.916 -9.761 23 HE ARG 3 HE ARG 3 4.794 2.546 -9.430 24 HH11 ARG 3 HH11 ARG 3 6.987 3.515 -11.995 25 HH12 ARG 3 HH12 ARG 3 5.738 3.695 -13.173 26 HH21 ARG 3 HH21 ARG 3 3.135 2.778 -10.994 27 HH22 ARG 3 HH22 ARG 3 3.528 3.286 -12.598 28 H SER 4 HN SER 4 8.130 6.695 -4.880 29 HA SER 4 HA SER 4 7.316 9.132 -6.213 30 HB2 SER 4 HB2 SER 4 6.686 8.597 -3.302 31 HB3 SER 4 HB1 SER 4 6.507 10.155 -4.110 32 HG SER 4 HG SER 4 5.253 8.400 -5.603 33 HA PRO 5 HA PRO 5 11.632 9.393 -4.790 34 HB2 PRO 5 HB2 PRO 5 12.565 10.801 -6.868 35 HB3 PRO 5 HB1 PRO 5 12.209 9.075 -7.013 36 HG2 PRO 5 HG2 PRO 5 10.576 11.423 -7.893 37 HG3 PRO 5 HG1 PRO 5 10.896 9.902 -8.745 38 HD2 PRO 5 HD2 PRO 5 8.595 10.423 -7.338 39 HD3 PRO 5 HD1 PRO 5 9.229 8.792 -7.634 40 H CYS 6 HN CYS 6 9.461 11.110 -3.906 41 HA CYS 6 HA CYS 6 11.018 13.361 -3.044 42 HB2 CYS 6 HB2 CYS 6 9.360 15.037 -3.823 43 HB3 CYS 6 HB1 CYS 6 10.245 14.292 -5.155 44 H ALA 7 HN ALA 7 9.793 11.146 -1.789 45 HA ALA 7 HA ALA 7 7.472 12.416 -0.534 46 HB1 ALA 7 HB1 ALA 7 6.935 10.342 -1.748 47 HB2 ALA 7 HB2 ALA 7 6.641 10.180 -0.017 48 HB3 ALA 7 HB3 ALA 7 8.081 9.462 -0.740 49 HA PRO 8 HA PRO 8 6.269 12.345 0.921 50 HB2 PRO 8 HB2 PRO 8 5.489 13.214 3.275 51 HB3 PRO 8 HB1 PRO 8 5.836 11.492 3.059 52 HG2 PRO 8 HG2 PRO 8 7.534 13.620 4.310 53 HG3 PRO 8 HG1 PRO 8 7.236 11.960 4.864 54 HD2 PRO 8 HD2 PRO 8 9.452 12.805 3.390 55 HD3 PRO 8 HD1 PRO 8 8.908 11.124 3.552 56 H PHE 9 HN PHE 9 8.271 14.148 -0.034 57 HA PHE 9 HA PHE 9 7.188 16.711 0.904 58 HB2 PHE 9 HB2 PHE 9 10.128 16.176 0.503 59 HB3 PHE 9 HB1 PHE 9 9.416 17.738 0.874 60 HD1 PHE 9 HD1 PHE 9 8.547 18.201 3.100 61 HD2 PHE 9 HD2 PHE 9 10.379 14.489 2.160 62 HE1 PHE 9 HE1 PHE 9 8.800 17.733 5.500 63 HE2 PHE 9 HE2 PHE 9 10.647 14.011 4.568 64 HZ PHE 9 HZ PHE 9 9.853 15.635 6.235 65 H CYS 10 HN CYS 10 5.997 16.396 -1.181 66 HA CYS 10 HA CYS 10 7.171 18.243 -3.002 67 HB2 CYS 10 HB2 CYS 10 6.820 16.830 -5.062 68 HB3 CYS 10 HB1 CYS 10 8.197 16.401 -4.069 69 HN1 NH2 11 H1 CYS 10 5.466 19.500 -2.429 70 HN2 NH2 11 H2 CYS 10 3.855 19.204 -2.981 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 -1.448 3.352 -8.470 2 H2 GLY 1 HT2 GLY 1 -0.909 1.801 -8.877 3 H3 GLY 1 HT3 GLY 1 -0.241 3.152 -9.635 4 HA2 GLY 1 HA1 GLY 1 0.032 2.463 -6.770 5 HA3 GLY 1 HA2 GLY 1 1.279 2.302 -7.996 6 H PHE 2 HN PHE 2 2.135 3.732 -6.019 7 HA PHE 2 HA PHE 2 1.953 6.478 -6.960 8 HB2 PHE 2 HB2 PHE 2 1.752 5.591 -4.081 9 HB3 PHE 2 HB1 PHE 2 2.101 7.245 -4.568 10 HD1 PHE 2 HD1 PHE 2 -0.452 4.698 -4.186 11 HD2 PHE 2 HD2 PHE 2 0.381 8.574 -5.731 12 HE1 PHE 2 HE1 PHE 2 -2.864 5.153 -4.336 13 HE2 PHE 2 HE2 PHE 2 -2.028 9.037 -5.885 14 HZ PHE 2 HZ PHE 2 -3.655 7.327 -5.186 15 H ARG 3 HN ARG 3 3.895 6.121 -7.963 16 HA ARG 3 HA ARG 3 6.211 5.586 -6.283 17 HB2 ARG 3 HB2 ARG 3 5.978 6.018 -9.256 18 HB3 ARG 3 HB1 ARG 3 7.487 5.731 -8.414 19 HG2 ARG 3 HG2 ARG 3 6.722 3.544 -7.698 20 HG3 ARG 3 HG1 ARG 3 5.167 3.815 -8.486 21 HD2 ARG 3 HD2 ARG 3 7.747 3.975 -9.992 22 HD3 ARG 3 HD1 ARG 3 6.934 2.435 -9.732 23 HE ARG 3 HE ARG 3 4.944 3.768 -10.794 24 HH11 ARG 3 HH11 ARG 3 8.315 3.911 -11.751 25 HH12 ARG 3 HH12 ARG 3 7.959 4.163 -13.423 26 HH21 ARG 3 HH21 ARG 3 4.476 4.129 -13.012 27 HH22 ARG 3 HH22 ARG 3 5.774 4.298 -14.141 28 H SER 4 HN SER 4 6.278 7.425 -5.030 29 HA SER 4 HA SER 4 6.692 9.948 -6.465 30 HB2 SER 4 HB2 SER 4 6.032 9.526 -3.545 31 HB3 SER 4 HB1 SER 4 6.106 11.072 -4.389 32 HG SER 4 HG SER 4 4.480 9.325 -5.660 33 HA PRO 5 HA PRO 5 10.962 9.153 -5.076 34 HB2 PRO 5 HB2 PRO 5 12.178 10.471 -7.059 35 HB3 PRO 5 HB1 PRO 5 11.439 8.892 -7.349 36 HG2 PRO 5 HG2 PRO 5 10.369 11.618 -7.964 37 HG3 PRO 5 HG1 PRO 5 10.356 10.161 -8.973 38 HD2 PRO 5 HD2 PRO 5 8.217 11.012 -7.485 39 HD3 PRO 5 HD1 PRO 5 8.492 9.317 -7.936 40 H CYS 6 HN CYS 6 9.222 11.135 -3.990 41 HA CYS 6 HA CYS 6 11.116 13.136 -3.156 42 HB2 CYS 6 HB2 CYS 6 9.484 14.982 -3.771 43 HB3 CYS 6 HB1 CYS 6 10.388 14.287 -5.122 44 H ALA 7 HN ALA 7 9.665 11.033 -1.904 45 HA ALA 7 HA ALA 7 7.526 12.473 -0.534 46 HB1 ALA 7 HB1 ALA 7 8.064 9.508 -0.652 47 HB2 ALA 7 HB2 ALA 7 6.859 10.373 -1.604 48 HB3 ALA 7 HB3 ALA 7 6.696 10.276 0.149 49 HA PRO 8 HA PRO 8 6.318 12.269 0.928 50 HB2 PRO 8 HB2 PRO 8 5.517 13.069 3.310 51 HB3 PRO 8 HB1 PRO 8 5.921 11.371 3.043 52 HG2 PRO 8 HG2 PRO 8 7.521 13.514 4.381 53 HG3 PRO 8 HG1 PRO 8 7.338 11.806 4.829 54 HD2 PRO 8 HD2 PRO 8 9.469 12.911 3.381 55 HD3 PRO 8 HD1 PRO 8 9.076 11.187 3.499 56 H PHE 9 HN PHE 9 8.276 14.207 0.062 57 HA PHE 9 HA PHE 9 6.962 16.683 0.917 58 HB2 PHE 9 HB2 PHE 9 9.960 16.361 0.819 59 HB3 PHE 9 HB1 PHE 9 9.103 17.870 1.102 60 HD1 PHE 9 HD1 PHE 9 7.965 18.269 3.213 61 HD2 PHE 9 HD2 PHE 9 10.133 14.691 2.500 62 HE1 PHE 9 HE1 PHE 9 7.970 17.808 5.630 63 HE2 PHE 9 HE2 PHE 9 10.155 14.220 4.930 64 HZ PHE 9 HZ PHE 9 9.068 15.781 6.491 65 H CYS 10 HN CYS 10 5.972 16.382 -1.235 66 HA CYS 10 HA CYS 10 7.225 18.263 -2.963 67 HB2 CYS 10 HB2 CYS 10 7.061 16.864 -5.040 68 HB3 CYS 10 HB1 CYS 10 8.345 16.409 -3.934 69 HN1 NH2 11 H1 CYS 10 5.431 19.438 -2.391 70 HN2 NH2 11 H2 CYS 10 3.875 19.137 -3.077 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 -0.883 3.174 -2.443 2 H2 GLY 1 HT2 GLY 1 -1.357 2.017 -3.582 3 H3 GLY 1 HT3 GLY 1 -1.203 3.637 -4.035 4 HA2 GLY 1 HA1 GLY 1 1.011 1.884 -3.153 5 HA3 GLY 1 HA2 GLY 1 0.670 2.334 -4.817 6 H PHE 2 HN PHE 2 3.029 2.843 -3.093 7 HA PHE 2 HA PHE 2 2.961 5.765 -3.035 8 HB2 PHE 2 HB2 PHE 2 4.702 3.854 -1.468 9 HB3 PHE 2 HB1 PHE 2 4.881 5.602 -1.468 10 HD1 PHE 2 HD1 PHE 2 2.654 2.820 -0.495 11 HD2 PHE 2 HD2 PHE 2 3.526 6.963 -0.096 12 HE1 PHE 2 HE1 PHE 2 1.073 2.966 1.383 13 HE2 PHE 2 HE2 PHE 2 1.945 7.117 1.779 14 HZ PHE 2 HZ PHE 2 0.717 5.120 2.522 15 H ARG 3 HN ARG 3 3.446 5.866 -5.187 16 HA ARG 3 HA ARG 3 6.235 5.172 -5.801 17 HB2 ARG 3 HB2 ARG 3 4.043 5.714 -7.790 18 HB3 ARG 3 HB1 ARG 3 5.667 5.157 -8.144 19 HG2 ARG 3 HG2 ARG 3 5.184 3.076 -6.838 20 HG3 ARG 3 HG1 ARG 3 3.510 3.607 -6.718 21 HD2 ARG 3 HD2 ARG 3 4.889 3.329 -9.368 22 HD3 ARG 3 HD1 ARG 3 4.143 1.946 -8.576 23 HE ARG 3 HE ARG 3 2.177 3.856 -8.620 24 HH11 ARG 3 HH11 ARG 3 4.148 2.249 -11.021 25 HH12 ARG 3 HH12 ARG 3 2.970 2.400 -12.279 26 HH21 ARG 3 HH21 ARG 3 0.617 4.073 -10.295 27 HH22 ARG 3 HH22 ARG 3 0.956 3.431 -11.867 28 H SER 4 HN SER 4 7.003 7.048 -4.808 29 HA SER 4 HA SER 4 6.858 9.378 -6.526 30 HB2 SER 4 HB2 SER 4 6.492 10.801 -4.362 31 HB3 SER 4 HB1 SER 4 5.105 10.066 -5.166 32 HG SER 4 HG SER 4 6.374 8.510 -3.234 33 HA PRO 5 HA PRO 5 11.118 9.148 -5.078 34 HB2 PRO 5 HB2 PRO 5 12.224 10.498 -7.101 35 HB3 PRO 5 HB1 PRO 5 11.594 8.865 -7.341 36 HG2 PRO 5 HG2 PRO 5 10.362 11.493 -8.057 37 HG3 PRO 5 HG1 PRO 5 10.390 9.982 -8.982 38 HD2 PRO 5 HD2 PRO 5 8.259 10.850 -7.445 39 HD3 PRO 5 HD1 PRO 5 8.550 9.162 -7.909 40 H CYS 6 HN CYS 6 9.249 11.093 -4.017 41 HA CYS 6 HA CYS 6 11.104 13.133 -3.183 42 HB2 CYS 6 HB2 CYS 6 9.499 14.968 -3.824 43 HB3 CYS 6 HB1 CYS 6 10.385 14.250 -5.174 44 H ALA 7 HN ALA 7 9.670 11.049 -1.898 45 HA ALA 7 HA ALA 7 7.534 12.513 -0.536 46 HB1 ALA 7 HB1 ALA 7 6.654 10.338 0.132 47 HB2 ALA 7 HB2 ALA 7 8.015 9.535 -0.647 48 HB3 ALA 7 HB3 ALA 7 6.840 10.420 -1.619 49 HA PRO 8 HA PRO 8 6.324 12.261 0.945 50 HB2 PRO 8 HB2 PRO 8 5.529 13.035 3.342 51 HB3 PRO 8 HB1 PRO 8 5.947 11.341 3.052 52 HG2 PRO 8 HG2 PRO 8 7.529 13.476 4.420 53 HG3 PRO 8 HG1 PRO 8 7.378 11.757 4.829 54 HD2 PRO 8 HD2 PRO 8 9.474 12.945 3.372 55 HD3 PRO 8 HD1 PRO 8 9.137 11.208 3.486 56 H PHE 9 HN PHE 9 8.299 14.241 0.107 57 HA PHE 9 HA PHE 9 6.897 16.687 0.921 58 HB2 PHE 9 HB2 PHE 9 9.904 16.455 0.905 59 HB3 PHE 9 HB1 PHE 9 8.989 17.930 1.187 60 HD1 PHE 9 HD1 PHE 9 7.775 18.250 3.265 61 HD2 PHE 9 HD2 PHE 9 10.099 14.773 2.561 62 HE1 PHE 9 HE1 PHE 9 7.727 17.752 5.670 63 HE2 PHE 9 HE2 PHE 9 10.073 14.265 4.981 64 HZ PHE 9 HZ PHE 9 8.882 15.756 6.534 65 H CYS 10 HN CYS 10 5.990 16.373 -1.247 66 HA CYS 10 HA CYS 10 7.239 18.264 -2.966 67 HB2 CYS 10 HB2 CYS 10 7.173 16.861 -5.014 68 HB3 CYS 10 HB1 CYS 10 8.389 16.365 -3.852 69 HN1 NH2 11 H1 CYS 10 5.595 19.581 -3.113 70 HN2 NH2 11 H2 CYS 10 3.976 19.149 -3.526 Start of MODEL 21 1 H1 GLY 1 HT1 GLY 1 3.124 -0.833 -0.942 2 H2 GLY 1 HT2 GLY 1 4.049 -2.112 -1.537 3 H3 GLY 1 HT3 GLY 1 3.218 -1.103 -2.606 4 HA2 GLY 1 HA1 GLY 1 5.480 -0.310 -0.869 5 HA3 GLY 1 HA2 GLY 1 5.553 -0.550 -2.608 6 H PHE 2 HN PHE 2 6.416 1.813 -1.864 7 HA PHE 2 HA PHE 2 4.267 3.633 -2.598 8 HB2 PHE 2 HB2 PHE 2 6.153 4.039 -0.268 9 HB3 PHE 2 HB1 PHE 2 5.169 5.316 -0.966 10 HD1 PHE 2 HD1 PHE 2 5.221 2.402 1.195 11 HD2 PHE 2 HD2 PHE 2 2.714 5.244 -0.743 12 HE1 PHE 2 HE1 PHE 2 3.362 1.769 2.678 13 HE2 PHE 2 HE2 PHE 2 0.853 4.616 0.737 14 HZ PHE 2 HZ PHE 2 1.175 2.877 2.449 15 H ARG 3 HN ARG 3 5.175 3.703 -4.605 16 HA ARG 3 HA ARG 3 7.926 4.559 -4.851 17 HB2 ARG 3 HB2 ARG 3 5.892 3.913 -6.956 18 HB3 ARG 3 HB1 ARG 3 7.545 4.401 -7.295 19 HG2 ARG 3 HG2 ARG 3 8.223 2.419 -5.790 20 HG3 ARG 3 HG1 ARG 3 6.569 1.863 -6.042 21 HD2 ARG 3 HD2 ARG 3 8.437 2.556 -8.299 22 HD3 ARG 3 HD1 ARG 3 8.317 0.939 -7.616 23 HE ARG 3 HE ARG 3 5.779 1.397 -8.236 24 HH11 ARG 3 HH11 ARG 3 8.699 1.982 -10.105 25 HH12 ARG 3 HH12 ARG 3 7.921 1.727 -11.629 26 HH21 ARG 3 HH21 ARG 3 4.749 1.067 -10.267 27 HH22 ARG 3 HH22 ARG 3 5.676 1.202 -11.719 28 H SER 4 HN SER 4 7.887 6.567 -4.007 29 HA SER 4 HA SER 4 6.964 8.604 -5.873 30 HB2 SER 4 HB2 SER 4 6.536 8.756 -2.879 31 HB3 SER 4 HB1 SER 4 6.130 10.009 -4.052 32 HG SER 4 HG SER 4 5.000 7.795 -4.900 33 HA PRO 5 HA PRO 5 11.345 9.168 -4.877 34 HB2 PRO 5 HB2 PRO 5 12.026 10.437 -7.149 35 HB3 PRO 5 HB1 PRO 5 11.741 8.693 -7.098 36 HG2 PRO 5 HG2 PRO 5 9.930 10.882 -8.032 37 HG3 PRO 5 HG1 PRO 5 10.227 9.292 -8.754 38 HD2 PRO 5 HD2 PRO 5 8.052 9.884 -7.205 39 HD3 PRO 5 HD1 PRO 5 8.730 8.253 -7.372 40 H CYS 6 HN CYS 6 9.283 10.983 -3.895 41 HA CYS 6 HA CYS 6 10.999 13.185 -3.282 42 HB2 CYS 6 HB2 CYS 6 9.370 14.914 -3.986 43 HB3 CYS 6 HB1 CYS 6 10.140 14.101 -5.348 44 H ALA 7 HN ALA 7 9.796 11.118 -1.832 45 HA ALA 7 HA ALA 7 7.585 12.503 -0.495 46 HB1 ALA 7 HB1 ALA 7 6.806 10.297 0.236 47 HB2 ALA 7 HB2 ALA 7 8.175 9.541 -0.577 48 HB3 ALA 7 HB3 ALA 7 6.941 10.371 -1.521 49 HA PRO 8 HA PRO 8 6.401 12.129 0.984 50 HB2 PRO 8 HB2 PRO 8 5.572 12.929 3.370 51 HB3 PRO 8 HB1 PRO 8 6.052 11.249 3.099 52 HG2 PRO 8 HG2 PRO 8 7.537 13.454 4.453 53 HG3 PRO 8 HG1 PRO 8 7.480 11.727 4.854 54 HD2 PRO 8 HD2 PRO 8 9.504 13.035 3.399 55 HD3 PRO 8 HD1 PRO 8 9.263 11.284 3.515 56 H PHE 9 HN PHE 9 8.351 14.243 0.214 57 HA PHE 9 HA PHE 9 6.705 16.587 0.853 58 HB2 PHE 9 HB2 PHE 9 9.713 16.612 1.028 59 HB3 PHE 9 HB1 PHE 9 8.648 17.990 1.257 60 HD1 PHE 9 HD1 PHE 9 7.380 18.244 3.294 61 HD2 PHE 9 HD2 PHE 9 9.917 14.902 2.681 62 HE1 PHE 9 HE1 PHE 9 7.277 17.748 5.699 63 HE2 PHE 9 HE2 PHE 9 9.832 14.394 5.102 64 HZ PHE 9 HZ PHE 9 8.508 15.817 6.607 65 H CYS 10 HN CYS 10 5.928 16.403 -1.323 66 HA CYS 10 HA CYS 10 7.397 18.226 -2.973 67 HB2 CYS 10 HB2 CYS 10 7.146 16.839 -5.051 68 HB3 CYS 10 HB1 CYS 10 8.351 16.286 -3.906 69 HN1 NH2 11 H1 CYS 10 5.802 19.668 -2.754 70 HN2 NH2 11 H2 CYS 10 4.200 19.458 -3.368 Start of MODEL 22 1 H1 GLY 1 HT1 GLY 1 -1.397 4.779 0.115 2 H2 GLY 1 HT2 GLY 1 -1.653 3.197 -0.416 3 H3 GLY 1 HT3 GLY 1 -1.408 4.440 -1.536 4 HA2 GLY 1 HA1 GLY 1 0.593 3.476 0.417 5 HA3 GLY 1 HA2 GLY 1 0.578 3.092 -1.300 6 H PHE 2 HN PHE 2 2.839 4.173 -0.518 7 HA PHE 2 HA PHE 2 2.705 6.888 -1.553 8 HB2 PHE 2 HB2 PHE 2 4.247 6.124 0.935 9 HB3 PHE 2 HB1 PHE 2 4.344 7.671 0.103 10 HD1 PHE 2 HD1 PHE 2 2.439 5.602 2.395 11 HD2 PHE 2 HD2 PHE 2 2.430 9.224 0.166 12 HE1 PHE 2 HE1 PHE 2 0.585 6.439 3.773 13 HE2 PHE 2 HE2 PHE 2 0.575 10.069 1.543 14 HZ PHE 2 HZ PHE 2 -0.351 8.677 3.345 15 H ARG 3 HN ARG 3 3.518 5.987 -3.430 16 HA ARG 3 HA ARG 3 6.377 5.405 -3.220 17 HB2 ARG 3 HB2 ARG 3 4.433 4.359 -5.262 18 HB3 ARG 3 HB1 ARG 3 6.177 4.184 -5.385 19 HG2 ARG 3 HG2 ARG 3 6.031 3.065 -3.068 20 HG3 ARG 3 HG1 ARG 3 4.309 2.914 -3.411 21 HD2 ARG 3 HD2 ARG 3 6.451 1.924 -5.274 22 HD3 ARG 3 HD1 ARG 3 5.750 0.922 -4.008 23 HE ARG 3 HE ARG 3 3.555 1.623 -5.264 24 HH11 ARG 3 HH11 ARG 3 6.646 0.729 -6.659 25 HH12 ARG 3 HH12 ARG 3 5.954 0.043 -8.085 26 HH21 ARG 3 HH21 ARG 3 2.631 0.708 -7.142 27 HH22 ARG 3 HH22 ARG 3 3.653 0.014 -8.358 28 H SER 4 HN SER 4 6.926 7.528 -3.345 29 HA SER 4 HA SER 4 6.796 8.636 -6.051 30 HB2 SER 4 HB2 SER 4 6.269 10.269 -3.558 31 HB3 SER 4 HB1 SER 4 6.236 10.847 -5.223 32 HG SER 4 HG SER 4 4.585 8.874 -5.243 33 HA PRO 5 HA PRO 5 11.117 9.123 -5.052 34 HB2 PRO 5 HB2 PRO 5 11.913 10.453 -7.246 35 HB3 PRO 5 HB1 PRO 5 11.410 8.759 -7.325 36 HG2 PRO 5 HG2 PRO 5 9.851 11.227 -8.004 37 HG3 PRO 5 HG1 PRO 5 9.979 9.706 -8.904 38 HD2 PRO 5 HD2 PRO 5 7.876 10.308 -7.280 39 HD3 PRO 5 HD1 PRO 5 8.430 8.647 -7.576 40 H CYS 6 HN CYS 6 9.236 11.043 -3.932 41 HA CYS 6 HA CYS 6 11.073 13.143 -3.266 42 HB2 CYS 6 HB2 CYS 6 9.429 14.936 -3.896 43 HB3 CYS 6 HB1 CYS 6 10.252 14.183 -5.265 44 H ALA 7 HN ALA 7 9.722 11.071 -1.867 45 HA ALA 7 HA ALA 7 7.581 12.534 -0.503 46 HB1 ALA 7 HB1 ALA 7 6.699 10.359 0.174 47 HB2 ALA 7 HB2 ALA 7 8.048 9.553 -0.626 48 HB3 ALA 7 HB3 ALA 7 6.866 10.448 -1.578 49 HA PRO 8 HA PRO 8 6.358 12.196 0.999 50 HB2 PRO 8 HB2 PRO 8 5.588 12.999 3.398 51 HB3 PRO 8 HB1 PRO 8 6.017 11.307 3.121 52 HG2 PRO 8 HG2 PRO 8 7.591 13.469 4.447 53 HG3 PRO 8 HG1 PRO 8 7.471 11.750 4.866 54 HD2 PRO 8 HD2 PRO 8 9.533 12.955 3.383 55 HD3 PRO 8 HD1 PRO 8 9.214 11.216 3.504 56 H PHE 9 HN PHE 9 8.265 14.227 0.107 57 HA PHE 9 HA PHE 9 6.776 16.627 0.889 58 HB2 PHE 9 HB2 PHE 9 9.788 16.509 0.965 59 HB3 PHE 9 HB1 PHE 9 8.812 17.948 1.208 60 HD1 PHE 9 HD1 PHE 9 7.537 18.241 3.263 61 HD2 PHE 9 HD2 PHE 9 10.010 14.854 2.640 62 HE1 PHE 9 HE1 PHE 9 7.473 17.772 5.676 63 HE2 PHE 9 HE2 PHE 9 9.963 14.374 5.066 64 HZ PHE 9 HZ PHE 9 8.690 15.835 6.581 65 H CYS 10 HN CYS 10 5.934 16.359 -1.320 66 HA CYS 10 HA CYS 10 7.356 18.219 -2.976 67 HB2 CYS 10 HB2 CYS 10 7.100 16.821 -5.055 68 HB3 CYS 10 HB1 CYS 10 8.354 16.321 -3.939 69 HN1 NH2 11 H1 CYS 10 5.850 19.681 -3.045 70 HN2 NH2 11 H2 CYS 10 4.208 19.431 -3.519
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