NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
654776 | 7l7a | 30833 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 10.736 -9.838 2.318 2 H2 GLY 1 HT2 GLY 1 11.354 -8.637 3.347 3 H3 GLY 1 HT3 GLY 1 12.333 -9.303 2.130 4 HA2 GLY 1 HA2 GLY 1 11.519 -7.981 0.544 5 HA3 GLY 1 HA1 GLY 1 9.875 -8.154 1.156 6 H CYS 2 HN CYS 2 11.349 -5.693 0.361 7 HA CYS 2 HA CYS 2 11.968 -4.205 2.791 8 HB2 CYS 2 HB3 CYS 2 11.277 -3.122 0.045 9 HB3 CYS 2 HB2 CYS 2 12.382 -2.431 1.236 10 H CYS 3 HN CYS 3 10.369 -1.789 1.751 11 HA CYS 3 HA CYS 3 7.867 -2.512 3.177 12 HB2 CYS 3 HB3 CYS 3 8.251 0.231 2.080 13 HB3 CYS 3 HB2 CYS 3 7.693 -0.270 3.666 14 HA PRO 4 HA PRO 4 5.492 -2.889 -0.490 15 HB2 PRO 4 HB3 PRO 4 3.045 -2.052 0.406 16 HB3 PRO 4 HB2 PRO 4 3.759 -3.612 0.869 17 HG2 PRO 4 HG2 PRO 4 3.636 -1.059 2.391 18 HG3 PRO 4 HG3 PRO 4 3.465 -2.725 2.966 19 HD2 PRO 4 HD2 PRO 4 5.747 -1.246 3.246 20 HD3 PRO 4 HD3 PRO 4 5.725 -3.023 3.165 21 H ALA 5 HN ALA 5 5.840 0.144 1.122 22 HA ALA 5 HA ALA 5 4.410 2.058 -0.152 23 HB1 ALA 5 HB1 ALA 5 6.911 3.128 -0.335 24 HB2 ALA 5 HB2 ALA 5 7.194 1.784 0.773 25 HB3 ALA 5 HB3 ALA 5 5.994 3.013 1.166 26 HA PRO 6 HA PRO 6 7.280 -0.028 -0.556 27 HB2 PRO 6 HB3 PRO 6 9.486 -0.632 -2.002 28 HB3 PRO 6 HB2 PRO 6 7.965 -1.534 -2.149 29 HG2 PRO 6 HG2 PRO 6 9.205 0.363 -4.010 30 HG3 PRO 6 HG3 PRO 6 8.011 -0.906 -4.318 31 HD2 PRO 6 HD2 PRO 6 7.556 1.898 -4.056 32 HD3 PRO 6 HD3 PRO 6 6.354 0.618 -4.304 33 H LEU 7 HN LEU 7 9.254 0.316 0.640 34 HA LEU 7 HA LEU 7 10.599 2.936 0.063 35 HB2 LEU 7 HB3 LEU 7 8.964 2.050 2.258 36 HB3 LEU 7 HB2 LEU 7 10.601 2.343 2.847 37 HG LEU 7 HG LEU 7 10.588 4.586 1.880 38 HD11 LEU 7 1HD1 LEU 7 8.586 3.485 0.252 39 HD12 LEU 7 2HD1 LEU 7 9.175 5.141 0.215 40 HD13 LEU 7 3HD1 LEU 7 7.772 4.723 1.201 41 HD21 LEU 7 1HD2 LEU 7 9.392 5.480 3.608 42 HD22 LEU 7 2HD2 LEU 7 9.174 3.797 4.087 43 HD23 LEU 7 3HD2 LEU 7 7.919 4.620 3.160 44 H THR 8 HN THR 8 12.723 2.986 1.513 45 HA THR 8 HA THR 8 14.579 1.118 0.623 46 HB THR 8 HB THR 8 14.968 3.258 1.900 47 HG1 THR 8 HG1 THR 8 16.274 1.158 3.233 48 HG21 THR 8 1HG2 THR 8 13.384 2.984 3.703 49 HG22 THR 8 2HG2 THR 8 15.000 3.029 4.410 50 HG23 THR 8 3HG2 THR 8 14.163 1.490 4.220 51 H CYS 9 HN CYS 9 15.411 -0.867 1.523 52 HA CYS 9 HA CYS 9 13.419 -2.564 2.770 53 HB2 CYS 9 HB3 CYS 9 16.387 -3.004 2.337 54 HB3 CYS 9 HB2 CYS 9 15.138 -4.247 2.486 55 H HIS 10 HN HIS 10 15.268 -0.190 4.114 56 HA HIS 10 HA HIS 10 15.978 -1.609 6.611 57 HB2 HIS 10 HB3 HIS 10 17.078 0.459 5.234 58 HB3 HIS 10 HB2 HIS 10 16.046 1.361 6.350 59 HD1 HIS 10 HD1 HIS 10 16.282 -0.505 8.819 60 HD2 HIS 10 HD2 HIS 10 19.531 0.763 6.534 61 HE1 HIS 10 HE1 HIS 10 18.324 -0.697 10.306 62 H CYS 11 HN CYS 11 13.382 0.117 5.183 63 HA CYS 11 HA CYS 11 12.121 0.900 7.738 64 HB2 CYS 11 HB3 CYS 11 11.352 2.497 6.317 65 HB3 CYS 11 HB2 CYS 11 12.095 1.663 4.956 66 H VAL 12 HN VAL 12 11.706 -1.324 5.039 67 HA VAL 12 HA VAL 12 10.010 -2.969 4.684 68 HB VAL 12 HB VAL 12 12.221 -3.708 5.900 69 HG11 VAL 12 1HG1 VAL 12 11.992 -4.629 8.064 70 HG12 VAL 12 2HG1 VAL 12 10.230 -4.605 7.984 71 HG13 VAL 12 3HG1 VAL 12 11.125 -3.096 8.175 72 HG21 VAL 12 1HG2 VAL 12 11.620 -5.751 5.148 73 HG22 VAL 12 2HG2 VAL 12 10.068 -5.020 4.740 74 HG23 VAL 12 3HG2 VAL 12 10.271 -5.855 6.280 75 H ILE 13 HN ILE 13 7.912 -2.156 4.985 76 HA ILE 13 HA ILE 13 6.900 -1.811 7.745 77 HB ILE 13 HB ILE 13 5.564 -1.577 5.030 78 HG12 ILE 13 HG13 ILE 13 7.582 -0.086 5.488 79 HG13 ILE 13 HG12 ILE 13 6.080 0.767 5.134 80 HG21 ILE 13 1HG2 ILE 13 3.681 -1.318 6.238 81 HG22 ILE 13 2HG2 ILE 13 4.390 0.148 6.913 82 HG23 ILE 13 3HG2 ILE 13 4.583 -1.391 7.751 83 HD11 ILE 13 1HD1 ILE 13 7.711 0.980 7.461 84 HD12 ILE 13 2HD1 ILE 13 6.183 0.247 7.949 85 HD13 ILE 13 3HD1 ILE 13 6.190 1.807 7.125 86 H TYR 14 HN TYR 14 7.691 -4.420 7.367 87 HA TYR 14 HA TYR 14 5.267 -5.896 7.909 88 HB2 TYR 14 HB2 TYR 14 5.786 -5.459 5.245 89 HB3 TYR 14 HB3 TYR 14 6.556 -7.027 5.511 90 HD1 TYR 14 HD1 TYR 14 3.366 -5.156 5.682 91 HD2 TYR 14 HD2 TYR 14 5.258 -8.997 6.031 92 HE1 TYR 14 HE1 TYR 14 1.141 -6.255 5.654 93 HE2 TYR 14 HE2 TYR 14 3.034 -10.095 6.002 94 HH TYR 14 HH TYR 14 0.465 -9.013 4.893 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 13.691 -1.075 -1.178 2 H2 GLY 1 HT2 GLY 1 13.653 -0.085 -2.558 3 H3 GLY 1 HT3 GLY 1 13.645 -1.775 -2.722 4 HA2 GLY 1 HA2 GLY 1 11.484 -0.118 -1.538 5 HA3 GLY 1 HA1 GLY 1 11.439 -0.926 -3.106 6 H CYS 2 HN CYS 2 12.235 -1.808 0.280 7 HA CYS 2 HA CYS 2 11.150 -4.513 -0.174 8 HB2 CYS 2 HB3 CYS 2 12.292 -3.231 2.317 9 HB3 CYS 2 HB2 CYS 2 12.186 -4.955 1.960 10 H CYS 3 HN CYS 3 10.345 -1.566 1.622 11 HA CYS 3 HA CYS 3 8.205 -2.659 3.211 12 HB2 CYS 3 HB3 CYS 3 8.234 0.147 2.074 13 HB3 CYS 3 HB2 CYS 3 7.682 -0.383 3.659 14 HA PRO 4 HA PRO 4 4.990 -2.982 0.201 15 HB2 PRO 4 HB3 PRO 4 2.796 -1.957 1.476 16 HB3 PRO 4 HB2 PRO 4 3.512 -3.526 1.901 17 HG2 PRO 4 HG2 PRO 4 3.750 -0.903 3.271 18 HG3 PRO 4 HG3 PRO 4 3.683 -2.535 3.954 19 HD2 PRO 4 HD2 PRO 4 5.986 -1.058 3.662 20 HD3 PRO 4 HD3 PRO 4 5.934 -2.831 3.785 21 H ALA 5 HN ALA 5 6.178 -0.030 1.218 22 HA ALA 5 HA ALA 5 4.475 1.926 0.098 23 HB1 ALA 5 HB1 ALA 5 6.144 2.818 1.387 24 HB2 ALA 5 HB2 ALA 5 6.927 2.997 -0.182 25 HB3 ALA 5 HB3 ALA 5 7.330 1.627 0.854 26 HA PRO 6 HA PRO 6 7.317 -0.197 -0.275 27 HB2 PRO 6 HB3 PRO 6 9.380 -1.046 -1.819 28 HB3 PRO 6 HB2 PRO 6 7.806 -1.863 -1.807 29 HG2 PRO 6 HG2 PRO 6 9.027 -0.211 -3.883 30 HG3 PRO 6 HG3 PRO 6 7.709 -1.385 -4.002 31 HD2 PRO 6 HD2 PRO 6 7.535 1.480 -3.881 32 HD3 PRO 6 HD3 PRO 6 6.218 0.300 -4.046 33 H LEU 7 HN LEU 7 9.467 0.112 0.719 34 HA LEU 7 HA LEU 7 10.879 2.585 -0.239 35 HB2 LEU 7 HB3 LEU 7 9.332 2.125 2.134 36 HB3 LEU 7 HB2 LEU 7 11.019 2.370 2.593 37 HG LEU 7 HG LEU 7 11.118 4.469 1.415 38 HD11 LEU 7 1HD1 LEU 7 8.688 3.371 0.146 39 HD12 LEU 7 2HD1 LEU 7 9.910 4.449 -0.521 40 HD13 LEU 7 3HD1 LEU 7 8.620 5.098 0.492 41 HD21 LEU 7 1HD2 LEU 7 10.242 5.064 3.454 42 HD22 LEU 7 2HD2 LEU 7 8.874 3.961 3.305 43 HD23 LEU 7 3HD2 LEU 7 8.855 5.509 2.459 44 H THR 8 HN THR 8 12.943 2.642 1.559 45 HA THR 8 HA THR 8 14.796 0.728 0.640 46 HB THR 8 HB THR 8 15.364 2.841 1.748 47 HG1 THR 8 HG1 THR 8 17.040 1.551 2.010 48 HG21 THR 8 1HG2 THR 8 13.419 2.670 3.377 49 HG22 THR 8 2HG2 THR 8 14.937 3.243 4.069 50 HG23 THR 8 3HG2 THR 8 14.423 1.577 4.328 51 H CYS 9 HN CYS 9 15.898 -0.971 2.090 52 HA CYS 9 HA CYS 9 13.879 -2.833 3.072 53 HB2 CYS 9 HB3 CYS 9 16.638 -2.817 2.230 54 HB3 CYS 9 HB2 CYS 9 16.485 -3.689 3.761 55 H HIS 10 HN HIS 10 15.410 -0.205 4.485 56 HA HIS 10 HA HIS 10 15.608 -1.388 7.192 57 HB2 HIS 10 HB3 HIS 10 17.152 0.372 6.036 58 HB3 HIS 10 HB2 HIS 10 15.872 1.523 6.431 59 HD1 HIS 10 HD1 HIS 10 16.220 2.628 8.630 60 HD2 HIS 10 HD2 HIS 10 17.819 -1.221 8.596 61 HE1 HIS 10 HE1 HIS 10 17.256 2.262 10.912 62 H CYS 11 HN CYS 11 13.370 0.307 5.192 63 HA CYS 11 HA CYS 11 11.742 1.289 7.461 64 HB2 CYS 11 HB3 CYS 11 11.389 2.860 5.863 65 HB3 CYS 11 HB2 CYS 11 12.189 1.864 4.652 66 H VAL 12 HN VAL 12 12.045 -1.473 5.464 67 HA VAL 12 HA VAL 12 9.914 -2.729 4.713 68 HB VAL 12 HB VAL 12 12.160 -3.655 5.705 69 HG11 VAL 12 1HG1 VAL 12 11.249 -3.182 8.093 70 HG12 VAL 12 2HG1 VAL 12 12.058 -4.721 7.803 71 HG13 VAL 12 3HG1 VAL 12 10.297 -4.648 7.856 72 HG21 VAL 12 1HG2 VAL 12 9.546 -5.159 5.497 73 HG22 VAL 12 2HG2 VAL 12 11.088 -5.978 5.744 74 HG23 VAL 12 3HG2 VAL 12 10.820 -5.024 4.285 75 H ILE 13 HN ILE 13 7.846 -2.009 5.179 76 HA ILE 13 HA ILE 13 6.988 -1.794 8.010 77 HB ILE 13 HB ILE 13 5.382 -1.474 5.463 78 HG12 ILE 13 HG13 ILE 13 7.539 -0.109 5.540 79 HG13 ILE 13 HG12 ILE 13 6.052 0.829 5.395 80 HG21 ILE 13 1HG2 ILE 13 3.852 -1.389 7.201 81 HG22 ILE 13 2HG2 ILE 13 4.336 0.305 7.122 82 HG23 ILE 13 3HG2 ILE 13 5.033 -0.755 8.348 83 HD11 ILE 13 1HD1 ILE 13 8.002 1.232 7.310 84 HD12 ILE 13 2HD1 ILE 13 6.801 0.275 8.179 85 HD13 ILE 13 3HD1 ILE 13 6.335 1.799 7.422 86 H TYR 14 HN TYR 14 7.665 -4.427 6.573 87 HA TYR 14 HA TYR 14 5.392 -5.940 7.655 88 HB2 TYR 14 HB2 TYR 14 5.593 -5.175 4.893 89 HB3 TYR 14 HB3 TYR 14 5.782 -6.929 5.010 90 HD1 TYR 14 HD1 TYR 14 3.970 -8.346 5.727 91 HD2 TYR 14 HD2 TYR 14 3.553 -4.072 5.781 92 HE1 TYR 14 HE1 TYR 14 1.531 -8.591 6.101 93 HE2 TYR 14 HE2 TYR 14 1.113 -4.314 6.154 94 HH TYR 14 HH TYR 14 -0.319 -7.197 7.108 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 12.509 0.226 -1.340 2 H2 GLY 1 HT2 GLY 1 11.072 -0.367 -0.654 3 H3 GLY 1 HT3 GLY 1 11.014 0.601 -2.049 4 HA2 GLY 1 HA2 GLY 1 10.978 -1.257 -3.236 5 HA3 GLY 1 HA1 GLY 1 12.663 -1.463 -2.753 6 H CYS 2 HN CYS 2 12.128 -1.844 0.064 7 HA CYS 2 HA CYS 2 11.292 -4.670 -0.038 8 HB2 CYS 2 HB3 CYS 2 12.402 -2.925 2.177 9 HB3 CYS 2 HB2 CYS 2 12.312 -4.689 2.195 10 H CYS 3 HN CYS 3 10.315 -1.661 1.608 11 HA CYS 3 HA CYS 3 8.181 -2.864 3.158 12 HB2 CYS 3 HB3 CYS 3 8.002 -0.025 2.183 13 HB3 CYS 3 HB2 CYS 3 7.675 -0.674 3.787 14 HA PRO 4 HA PRO 4 4.950 -2.870 0.129 15 HB2 PRO 4 HB3 PRO 4 2.839 -1.560 1.270 16 HB3 PRO 4 HB2 PRO 4 3.407 -3.144 1.838 17 HG2 PRO 4 HG2 PRO 4 3.733 -0.484 3.053 18 HG3 PRO 4 HG3 PRO 4 3.718 -2.079 3.811 19 HD2 PRO 4 HD2 PRO 4 5.978 -0.497 3.227 20 HD3 PRO 4 HD3 PRO 4 5.973 -2.186 3.782 21 H ALA 5 HN ALA 5 5.943 0.233 1.283 22 HA ALA 5 HA ALA 5 4.552 2.118 -0.175 23 HB1 ALA 5 HB1 ALA 5 7.277 1.761 0.873 24 HB2 ALA 5 HB2 ALA 5 6.169 3.120 1.060 25 HB3 ALA 5 HB3 ALA 5 7.141 2.971 -0.403 26 HA PRO 6 HA PRO 6 7.309 -0.164 -0.253 27 HB2 PRO 6 HB3 PRO 6 9.514 -1.028 -1.560 28 HB3 PRO 6 HB2 PRO 6 7.954 -1.866 -1.661 29 HG2 PRO 6 HG2 PRO 6 9.333 -0.236 -3.670 30 HG3 PRO 6 HG3 PRO 6 8.097 -1.486 -3.878 31 HD2 PRO 6 HD2 PRO 6 7.747 1.340 -3.947 32 HD3 PRO 6 HD3 PRO 6 6.498 0.084 -4.073 33 H LEU 7 HN LEU 7 9.332 0.183 0.917 34 HA LEU 7 HA LEU 7 10.733 2.725 0.142 35 HB2 LEU 7 HB3 LEU 7 9.158 1.960 2.424 36 HB3 LEU 7 HB2 LEU 7 10.814 2.272 2.950 37 HG LEU 7 HG LEU 7 10.787 4.478 1.983 38 HD11 LEU 7 1HD1 LEU 7 9.569 4.869 0.129 39 HD12 LEU 7 2HD1 LEU 7 8.088 4.716 1.074 40 HD13 LEU 7 3HD1 LEU 7 8.796 3.299 0.310 41 HD21 LEU 7 1HD2 LEU 7 8.207 3.832 3.443 42 HD22 LEU 7 2HD2 LEU 7 8.768 5.476 3.135 43 HD23 LEU 7 3HD2 LEU 7 9.719 4.395 4.154 44 H THR 8 HN THR 8 12.901 2.821 1.528 45 HA THR 8 HA THR 8 14.749 0.943 0.664 46 HB THR 8 HB THR 8 15.231 3.081 1.818 47 HG1 THR 8 HG1 THR 8 16.892 1.595 1.781 48 HG21 THR 8 1HG2 THR 8 13.449 2.812 3.551 49 HG22 THR 8 2HG2 THR 8 15.013 3.263 4.231 50 HG23 THR 8 3HG2 THR 8 14.453 1.595 4.340 51 H CYS 9 HN CYS 9 15.915 -0.766 2.015 52 HA CYS 9 HA CYS 9 13.977 -2.678 3.057 53 HB2 CYS 9 HB3 CYS 9 16.642 -2.618 2.032 54 HB3 CYS 9 HB2 CYS 9 16.682 -3.409 3.614 55 H HIS 10 HN HIS 10 15.485 -0.029 4.441 56 HA HIS 10 HA HIS 10 15.867 -1.226 7.115 57 HB2 HIS 10 HB3 HIS 10 16.030 1.632 6.090 58 HB3 HIS 10 HB2 HIS 10 16.657 1.044 7.631 59 HD1 HIS 10 HD1 HIS 10 17.621 1.541 4.160 60 HD2 HIS 10 HD2 HIS 10 18.766 -1.046 7.222 61 HE1 HIS 10 HE1 HIS 10 19.853 0.561 3.474 62 H CYS 11 HN CYS 11 13.377 0.181 5.244 63 HA CYS 11 HA CYS 11 11.855 1.205 7.564 64 HB2 CYS 11 HB3 CYS 11 11.304 2.628 5.879 65 HB3 CYS 11 HB2 CYS 11 12.024 1.562 4.678 66 H VAL 12 HN VAL 12 11.614 -1.277 5.048 67 HA VAL 12 HA VAL 12 9.854 -2.913 4.789 68 HB VAL 12 HB VAL 12 12.136 -3.639 5.793 69 HG11 VAL 12 1HG1 VAL 12 10.511 -4.489 8.162 70 HG12 VAL 12 2HG1 VAL 12 11.209 -2.869 8.148 71 HG13 VAL 12 3HG1 VAL 12 12.258 -4.281 8.017 72 HG21 VAL 12 1HG2 VAL 12 10.900 -5.298 4.686 73 HG22 VAL 12 2HG2 VAL 12 9.563 -5.202 5.832 74 HG23 VAL 12 3HG2 VAL 12 11.077 -5.971 6.307 75 H ILE 13 HN ILE 13 7.769 -2.091 5.231 76 HA ILE 13 HA ILE 13 6.932 -1.797 8.057 77 HB ILE 13 HB ILE 13 5.546 -1.412 5.385 78 HG12 ILE 13 HG13 ILE 13 7.425 0.159 6.070 79 HG13 ILE 13 HG12 ILE 13 5.865 0.937 5.799 80 HG21 ILE 13 1HG2 ILE 13 4.499 -1.544 8.112 81 HG22 ILE 13 2HG2 ILE 13 3.628 -1.512 6.579 82 HG23 ILE 13 3HG2 ILE 13 4.146 -0.004 7.331 83 HD11 ILE 13 1HD1 ILE 13 5.540 1.383 8.035 84 HD12 ILE 13 2HD1 ILE 13 7.303 1.402 8.010 85 HD13 ILE 13 3HD1 ILE 13 6.444 -0.038 8.557 86 H TYR 14 HN TYR 14 7.538 -4.454 6.484 87 HA TYR 14 HA TYR 14 5.703 -6.110 7.919 88 HB2 TYR 14 HB2 TYR 14 4.047 -6.576 6.336 89 HB3 TYR 14 HB3 TYR 14 4.357 -4.869 6.009 90 HD1 TYR 14 HD1 TYR 14 6.180 -4.340 4.210 91 HD2 TYR 14 HD2 TYR 14 4.239 -8.150 4.618 92 HE1 TYR 14 HE1 TYR 14 6.812 -4.911 1.880 93 HE2 TYR 14 HE2 TYR 14 4.868 -8.721 2.289 94 HH TYR 14 HH TYR 14 5.440 -7.463 0.177 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 11.594 -5.257 -2.878 2 H2 GLY 1 HT2 GLY 1 11.310 -4.360 -4.294 3 H3 GLY 1 HT3 GLY 1 10.122 -5.422 -3.704 4 HA2 GLY 1 HA2 GLY 1 10.947 -2.794 -2.659 5 HA3 GLY 1 HA1 GLY 1 9.323 -3.386 -3.014 6 H CYS 2 HN CYS 2 11.814 -3.204 -0.622 7 HA CYS 2 HA CYS 2 11.058 -5.248 1.178 8 HB2 CYS 2 HB3 CYS 2 12.560 -2.742 1.150 9 HB3 CYS 2 HB2 CYS 2 11.834 -3.075 2.726 10 H CYS 3 HN CYS 3 10.248 -1.833 1.867 11 HA CYS 3 HA CYS 3 7.971 -2.562 3.495 12 HB2 CYS 3 HB3 CYS 3 8.257 0.105 2.106 13 HB3 CYS 3 HB2 CYS 3 7.650 -0.234 3.724 14 HA PRO 4 HA PRO 4 4.818 -3.002 0.472 15 HB2 PRO 4 HB3 PRO 4 2.680 -1.726 1.617 16 HB3 PRO 4 HB2 PRO 4 3.295 -3.292 2.190 17 HG2 PRO 4 HG2 PRO 4 3.706 -0.573 3.314 18 HG3 PRO 4 HG3 PRO 4 3.508 -2.124 4.144 19 HD2 PRO 4 HD2 PRO 4 5.916 -0.866 3.775 20 HD3 PRO 4 HD3 PRO 4 5.729 -2.618 4.015 21 H ALA 5 HN ALA 5 6.218 -0.050 1.084 22 HA ALA 5 HA ALA 5 4.533 1.811 -0.276 23 HB1 ALA 5 HB1 ALA 5 7.065 2.759 -0.598 24 HB2 ALA 5 HB2 ALA 5 7.300 1.603 0.714 25 HB3 ALA 5 HB3 ALA 5 6.136 2.916 0.891 26 HA PRO 6 HA PRO 6 7.418 -0.310 -0.307 27 HB2 PRO 6 HB3 PRO 6 9.636 -1.130 -1.643 28 HB3 PRO 6 HB2 PRO 6 8.127 -2.064 -1.606 29 HG2 PRO 6 HG2 PRO 6 9.328 -0.545 -3.800 30 HG3 PRO 6 HG3 PRO 6 8.115 -1.833 -3.849 31 HD2 PRO 6 HD2 PRO 6 7.701 0.992 -4.072 32 HD3 PRO 6 HD3 PRO 6 6.487 -0.304 -4.120 33 H LEU 7 HN LEU 7 9.457 0.191 0.759 34 HA LEU 7 HA LEU 7 10.723 2.742 -0.177 35 HB2 LEU 7 HB3 LEU 7 9.173 2.092 2.158 36 HB3 LEU 7 HB2 LEU 7 10.818 2.487 2.660 37 HG LEU 7 HG LEU 7 10.732 4.620 1.567 38 HD11 LEU 7 1HD1 LEU 7 8.690 3.271 0.015 39 HD12 LEU 7 2HD1 LEU 7 9.604 4.722 -0.387 40 HD13 LEU 7 3HD1 LEU 7 8.119 4.845 0.558 41 HD21 LEU 7 1HD2 LEU 7 8.879 3.863 3.582 42 HD22 LEU 7 2HD2 LEU 7 8.019 4.945 2.488 43 HD23 LEU 7 3HD2 LEU 7 9.513 5.478 3.260 44 H THR 8 HN THR 8 12.799 2.970 1.500 45 HA THR 8 HA THR 8 14.813 1.242 0.675 46 HB THR 8 HB THR 8 15.126 3.312 1.979 47 HG1 THR 8 HG1 THR 8 16.905 2.166 2.232 48 HG21 THR 8 1HG2 THR 8 14.402 3.581 4.178 49 HG22 THR 8 2HG2 THR 8 14.366 1.844 4.484 50 HG23 THR 8 3HG2 THR 8 13.104 2.594 3.505 51 H CYS 9 HN CYS 9 15.914 -0.539 1.994 52 HA CYS 9 HA CYS 9 13.870 -2.444 2.907 53 HB2 CYS 9 HB3 CYS 9 16.697 -2.451 2.049 54 HB3 CYS 9 HB2 CYS 9 16.288 -3.663 3.268 55 H HIS 10 HN HIS 10 15.477 0.036 4.386 56 HA HIS 10 HA HIS 10 15.972 -1.349 6.956 57 HB2 HIS 10 HB3 HIS 10 16.807 1.043 5.583 58 HB3 HIS 10 HB2 HIS 10 16.120 1.494 7.149 59 HD1 HIS 10 HD1 HIS 10 18.999 -0.291 5.584 60 HD2 HIS 10 HD2 HIS 10 17.509 0.387 9.418 61 HE1 HIS 10 HE1 HIS 10 20.827 -0.980 7.195 62 H CYS 11 HN CYS 11 13.433 0.187 5.278 63 HA CYS 11 HA CYS 11 11.975 1.046 7.703 64 HB2 CYS 11 HB3 CYS 11 11.390 2.579 6.121 65 HB3 CYS 11 HB2 CYS 11 12.087 1.591 4.843 66 H VAL 12 HN VAL 12 11.856 -1.360 5.130 67 HA VAL 12 HA VAL 12 10.162 -3.040 4.741 68 HB VAL 12 HB VAL 12 12.370 -3.773 5.796 69 HG11 VAL 12 1HG1 VAL 12 11.008 -4.740 8.193 70 HG12 VAL 12 2HG1 VAL 12 11.102 -2.980 8.143 71 HG13 VAL 12 3HG1 VAL 12 12.574 -3.945 8.040 72 HG21 VAL 12 1HG2 VAL 12 10.040 -5.581 6.461 73 HG22 VAL 12 2HG2 VAL 12 11.649 -6.039 5.901 74 HG23 VAL 12 3HG2 VAL 12 10.521 -5.252 4.797 75 H ILE 13 HN ILE 13 8.199 -1.658 5.321 76 HA ILE 13 HA ILE 13 7.119 -2.139 8.042 77 HB ILE 13 HB ILE 13 6.165 -0.639 5.586 78 HG12 ILE 13 HG13 ILE 13 7.961 0.499 6.698 79 HG13 ILE 13 HG12 ILE 13 6.477 1.303 7.202 80 HG21 ILE 13 1HG2 ILE 13 4.086 -0.742 6.453 81 HG22 ILE 13 2HG2 ILE 13 4.688 0.167 7.839 82 HG23 ILE 13 3HG2 ILE 13 4.673 -1.595 7.881 83 HD11 ILE 13 1HD1 ILE 13 7.601 0.994 9.238 84 HD12 ILE 13 2HD1 ILE 13 8.224 -0.585 8.762 85 HD13 ILE 13 3HD1 ILE 13 6.523 -0.400 9.184 86 H TYR 14 HN TYR 14 7.490 -4.542 6.868 87 HA TYR 14 HA TYR 14 6.351 -6.541 6.399 88 HB2 TYR 14 HB2 TYR 14 3.859 -4.852 6.784 89 HB3 TYR 14 HB3 TYR 14 4.026 -6.591 7.038 90 HD1 TYR 14 HD1 TYR 14 3.285 -4.079 8.959 91 HD2 TYR 14 HD2 TYR 14 6.682 -6.651 8.421 92 HE1 TYR 14 HE1 TYR 14 3.957 -3.682 11.312 93 HE2 TYR 14 HE2 TYR 14 7.356 -6.253 10.772 94 HH TYR 14 HH TYR 14 6.998 -4.974 12.594 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 13.211 -0.393 -3.540 2 H2 GLY 1 HT2 GLY 1 13.576 -1.579 -2.380 3 H3 GLY 1 HT3 GLY 1 12.769 -0.157 -1.920 4 HA2 GLY 1 HA2 GLY 1 10.777 -0.794 -2.854 5 HA3 GLY 1 HA1 GLY 1 11.570 -1.944 -3.930 6 H CYS 2 HN CYS 2 12.115 -1.551 -0.445 7 HA CYS 2 HA CYS 2 11.645 -4.442 -0.078 8 HB2 CYS 2 HB3 CYS 2 13.184 -2.310 1.092 9 HB3 CYS 2 HB2 CYS 2 12.243 -3.121 2.350 10 H CYS 3 HN CYS 3 10.568 -1.502 1.656 11 HA CYS 3 HA CYS 3 8.446 -2.776 3.098 12 HB2 CYS 3 HB3 CYS 3 8.370 0.095 2.129 13 HB3 CYS 3 HB2 CYS 3 7.792 -0.553 3.661 14 HA PRO 4 HA PRO 4 5.292 -3.107 0.018 15 HB2 PRO 4 HB3 PRO 4 3.028 -2.299 1.328 16 HB3 PRO 4 HB2 PRO 4 3.830 -3.849 1.662 17 HG2 PRO 4 HG2 PRO 4 3.924 -1.301 3.189 18 HG3 PRO 4 HG3 PRO 4 3.908 -2.971 3.776 19 HD2 PRO 4 HD2 PRO 4 6.158 -1.414 3.632 20 HD3 PRO 4 HD3 PRO 4 6.175 -3.190 3.595 21 H ALA 5 HN ALA 5 5.965 -0.110 1.540 22 HA ALA 5 HA ALA 5 4.316 1.818 0.488 23 HB1 ALA 5 HB1 ALA 5 7.171 1.558 1.184 24 HB2 ALA 5 HB2 ALA 5 5.986 2.750 1.719 25 HB3 ALA 5 HB3 ALA 5 6.779 2.934 0.156 26 HA PRO 6 HA PRO 6 7.166 -0.211 -0.181 27 HB2 PRO 6 HB3 PRO 6 9.245 -0.800 -1.820 28 HB3 PRO 6 HB2 PRO 6 7.706 -1.679 -1.875 29 HG2 PRO 6 HG2 PRO 6 8.820 0.237 -3.780 30 HG3 PRO 6 HG3 PRO 6 7.564 -0.990 -4.008 31 HD2 PRO 6 HD2 PRO 6 7.233 1.827 -3.609 32 HD3 PRO 6 HD3 PRO 6 5.977 0.594 -3.847 33 H LEU 7 HN LEU 7 9.464 -0.010 0.659 34 HA LEU 7 HA LEU 7 10.782 2.574 -0.013 35 HB2 LEU 7 HB3 LEU 7 9.069 2.134 2.206 36 HB3 LEU 7 HB2 LEU 7 10.712 2.217 2.843 37 HG LEU 7 HG LEU 7 11.090 4.336 1.686 38 HD11 LEU 7 1HD1 LEU 7 8.360 3.727 0.568 39 HD12 LEU 7 2HD1 LEU 7 9.829 4.156 -0.301 40 HD13 LEU 7 3HD1 LEU 7 8.963 5.381 0.625 41 HD21 LEU 7 1HD2 LEU 7 8.393 4.688 2.964 42 HD22 LEU 7 2HD2 LEU 7 9.849 5.666 3.148 43 HD23 LEU 7 3HD2 LEU 7 9.737 4.096 3.943 44 H THR 8 HN THR 8 12.857 2.688 1.538 45 HA THR 8 HA THR 8 14.733 0.794 0.800 46 HB THR 8 HB THR 8 15.276 2.882 1.899 47 HG1 THR 8 HG1 THR 8 16.617 0.952 2.256 48 HG21 THR 8 1HG2 THR 8 14.756 3.281 4.257 49 HG22 THR 8 2HG2 THR 8 14.000 1.693 4.380 50 HG23 THR 8 3HG2 THR 8 13.270 2.940 3.370 51 H CYS 9 HN CYS 9 15.847 -0.872 2.208 52 HA CYS 9 HA CYS 9 13.896 -2.795 3.254 53 HB2 CYS 9 HB3 CYS 9 16.918 -2.716 2.975 54 HB3 CYS 9 HB2 CYS 9 16.030 -4.127 3.559 55 H HIS 10 HN HIS 10 15.435 -0.129 4.569 56 HA HIS 10 HA HIS 10 15.877 -1.295 7.253 57 HB2 HIS 10 HB3 HIS 10 17.454 0.354 6.451 58 HB3 HIS 10 HB2 HIS 10 16.148 1.462 6.012 59 HD1 HIS 10 HD1 HIS 10 15.771 3.244 7.701 60 HD2 HIS 10 HD2 HIS 10 17.240 -0.235 9.464 61 HE1 HIS 10 HE1 HIS 10 15.999 3.737 10.173 62 H CYS 11 HN CYS 11 13.412 0.259 5.422 63 HA CYS 11 HA CYS 11 11.927 1.236 7.776 64 HB2 CYS 11 HB3 CYS 11 11.277 2.670 6.141 65 HB3 CYS 11 HB2 CYS 11 12.085 1.687 4.925 66 H VAL 12 HN VAL 12 11.739 -1.274 5.309 67 HA VAL 12 HA VAL 12 10.064 -2.972 5.021 68 HB VAL 12 HB VAL 12 12.169 -3.714 6.191 69 HG11 VAL 12 1HG1 VAL 12 12.374 -3.693 8.460 70 HG12 VAL 12 2HG1 VAL 12 10.679 -4.105 8.717 71 HG13 VAL 12 3HG1 VAL 12 11.139 -2.441 8.369 72 HG21 VAL 12 1HG2 VAL 12 10.881 -5.522 5.505 73 HG22 VAL 12 2HG2 VAL 12 9.500 -5.047 6.496 74 HG23 VAL 12 3HG2 VAL 12 10.911 -5.792 7.248 75 H ILE 13 HN ILE 13 8.017 -1.873 5.212 76 HA ILE 13 HA ILE 13 6.848 -1.579 7.917 77 HB ILE 13 HB ILE 13 6.465 -0.582 5.195 78 HG12 ILE 13 HG13 ILE 13 5.059 0.928 7.141 79 HG13 ILE 13 HG12 ILE 13 6.532 0.326 7.907 80 HG21 ILE 13 1HG2 ILE 13 4.072 -0.312 5.206 81 HG22 ILE 13 2HG2 ILE 13 3.944 -1.043 6.807 82 HG23 ILE 13 3HG2 ILE 13 4.402 -2.031 5.419 83 HD11 ILE 13 1HD1 ILE 13 6.263 2.431 5.979 84 HD12 ILE 13 2HD1 ILE 13 7.227 1.133 5.275 85 HD13 ILE 13 3HD1 ILE 13 7.722 1.872 6.798 86 H TYR 14 HN TYR 14 7.473 -4.211 6.327 87 HA TYR 14 HA TYR 14 6.555 -6.387 6.411 88 HB2 TYR 14 HB2 TYR 14 5.722 -5.249 8.628 89 HB3 TYR 14 HB3 TYR 14 4.161 -5.201 7.801 90 HD1 TYR 14 HD1 TYR 14 6.929 -7.494 8.814 91 HD2 TYR 14 HD2 TYR 14 2.814 -7.135 7.636 92 HE1 TYR 14 HE1 TYR 14 6.565 -9.887 9.361 93 HE2 TYR 14 HE2 TYR 14 2.448 -9.527 8.183 94 HH TYR 14 HH TYR 14 5.135 -11.628 9.121 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 13.879 -1.950 -1.103 2 H2 GLY 1 HT2 GLY 1 14.001 -0.404 -1.796 3 H3 GLY 1 HT3 GLY 1 13.809 -1.771 -2.787 4 HA2 GLY 1 HA2 GLY 1 11.829 -0.338 -1.179 5 HA3 GLY 1 HA1 GLY 1 11.671 -1.039 -2.790 6 H CYS 2 HN CYS 2 12.278 -2.107 0.586 7 HA CYS 2 HA CYS 2 11.062 -4.730 -0.025 8 HB2 CYS 2 HB3 CYS 2 12.430 -3.449 2.334 9 HB3 CYS 2 HB2 CYS 2 11.694 -5.040 2.453 10 H CYS 3 HN CYS 3 10.254 -1.741 1.680 11 HA CYS 3 HA CYS 3 8.008 -2.769 3.181 12 HB2 CYS 3 HB3 CYS 3 8.018 0.039 2.098 13 HB3 CYS 3 HB2 CYS 3 7.583 -0.529 3.705 14 HA PRO 4 HA PRO 4 4.879 -2.766 0.055 15 HB2 PRO 4 HB3 PRO 4 2.792 -1.322 1.068 16 HB3 PRO 4 HB2 PRO 4 3.286 -2.895 1.729 17 HG2 PRO 4 HG2 PRO 4 3.662 -0.194 2.830 18 HG3 PRO 4 HG3 PRO 4 3.602 -1.756 3.656 19 HD2 PRO 4 HD2 PRO 4 5.906 -0.237 3.014 20 HD3 PRO 4 HD3 PRO 4 5.853 -1.876 3.700 21 H ALA 5 HN ALA 5 5.862 0.406 1.102 22 HA ALA 5 HA ALA 5 4.583 2.215 -0.524 23 HB1 ALA 5 HB1 ALA 5 7.277 1.868 0.617 24 HB2 ALA 5 HB2 ALA 5 6.178 3.242 0.724 25 HB3 ALA 5 HB3 ALA 5 7.183 3.027 -0.709 26 HA PRO 6 HA PRO 6 7.322 -0.078 -0.381 27 HB2 PRO 6 HB3 PRO 6 9.547 -1.061 -1.585 28 HB3 PRO 6 HB2 PRO 6 7.979 -1.887 -1.638 29 HG2 PRO 6 HG2 PRO 6 9.402 -0.449 -3.755 30 HG3 PRO 6 HG3 PRO 6 8.136 -1.681 -3.876 31 HD2 PRO 6 HD2 PRO 6 7.863 1.147 -4.156 32 HD3 PRO 6 HD3 PRO 6 6.590 -0.088 -4.228 33 H LEU 7 HN LEU 7 9.279 0.364 0.827 34 HA LEU 7 HA LEU 7 10.714 2.847 -0.071 35 HB2 LEU 7 HB3 LEU 7 9.111 2.151 2.231 36 HB3 LEU 7 HB2 LEU 7 10.745 2.568 2.747 37 HG LEU 7 HG LEU 7 10.624 4.693 1.570 38 HD11 LEU 7 1HD1 LEU 7 8.880 3.453 -0.103 39 HD12 LEU 7 2HD1 LEU 7 9.042 5.202 -0.005 40 HD13 LEU 7 3HD1 LEU 7 7.756 4.383 0.880 41 HD21 LEU 7 1HD2 LEU 7 8.268 5.431 2.703 42 HD22 LEU 7 2HD2 LEU 7 9.749 5.187 3.628 43 HD23 LEU 7 3HD2 LEU 7 8.547 3.900 3.537 44 H THR 8 HN THR 8 12.854 3.017 1.354 45 HA THR 8 HA THR 8 14.758 1.157 0.651 46 HB THR 8 HB THR 8 15.077 3.317 1.892 47 HG1 THR 8 HG1 THR 8 16.953 2.596 2.485 48 HG21 THR 8 1HG2 THR 8 13.294 2.859 3.588 49 HG22 THR 8 2HG2 THR 8 14.825 3.359 4.307 50 HG23 THR 8 3HG2 THR 8 14.357 1.658 4.323 51 H CYS 9 HN CYS 9 15.686 -0.748 1.745 52 HA CYS 9 HA CYS 9 13.630 -2.424 2.927 53 HB2 CYS 9 HB3 CYS 9 16.567 -2.758 2.313 54 HB3 CYS 9 HB2 CYS 9 15.576 -4.055 2.994 55 H HIS 10 HN HIS 10 15.304 0.010 4.261 56 HA HIS 10 HA HIS 10 15.958 -1.320 6.824 57 HB2 HIS 10 HB3 HIS 10 16.943 0.855 5.423 58 HB3 HIS 10 HB2 HIS 10 15.922 1.628 6.640 59 HD1 HIS 10 HD1 HIS 10 16.530 -0.946 8.637 60 HD2 HIS 10 HD2 HIS 10 19.252 1.736 6.968 61 HE1 HIS 10 HE1 HIS 10 18.588 -1.005 10.110 62 H CYS 11 HN CYS 11 13.348 0.185 5.195 63 HA CYS 11 HA CYS 11 11.907 1.005 7.641 64 HB2 CYS 11 HB3 CYS 11 11.228 2.510 6.068 65 HB3 CYS 11 HB2 CYS 11 11.958 1.554 4.781 66 H VAL 12 HN VAL 12 11.634 -1.284 4.962 67 HA VAL 12 HA VAL 12 9.998 -3.010 4.636 68 HB VAL 12 HB VAL 12 12.282 -3.705 5.594 69 HG11 VAL 12 1HG1 VAL 12 12.516 -4.234 7.818 70 HG12 VAL 12 2HG1 VAL 12 10.824 -4.699 7.990 71 HG13 VAL 12 3HG1 VAL 12 11.273 -2.993 7.990 72 HG21 VAL 12 1HG2 VAL 12 10.236 -5.152 4.674 73 HG22 VAL 12 2HG2 VAL 12 10.227 -5.742 6.336 74 HG23 VAL 12 3HG2 VAL 12 11.677 -5.918 5.346 75 H ILE 13 HN ILE 13 7.918 -2.062 5.155 76 HA ILE 13 HA ILE 13 7.028 -2.205 7.984 77 HB ILE 13 HB ILE 13 5.480 -1.524 5.463 78 HG12 ILE 13 HG13 ILE 13 7.498 -0.113 5.661 79 HG13 ILE 13 HG12 ILE 13 6.041 0.827 5.979 80 HG21 ILE 13 1HG2 ILE 13 3.930 -0.464 6.923 81 HG22 ILE 13 2HG2 ILE 13 5.044 -0.543 8.288 82 HG23 ILE 13 3HG2 ILE 13 4.285 -2.016 7.682 83 HD11 ILE 13 1HD1 ILE 13 6.385 0.609 8.388 84 HD12 ILE 13 2HD1 ILE 13 7.835 1.281 7.643 85 HD13 ILE 13 3HD1 ILE 13 7.794 -0.416 8.116 86 H TYR 14 HN TYR 14 7.197 -4.495 8.256 87 HA TYR 14 HA TYR 14 6.064 -6.547 8.539 88 HB2 TYR 14 HB2 TYR 14 3.851 -6.429 8.131 89 HB3 TYR 14 HB3 TYR 14 4.113 -4.877 7.354 90 HD1 TYR 14 HD1 TYR 14 2.381 -7.709 6.904 91 HD2 TYR 14 HD2 TYR 14 5.414 -5.498 4.802 92 HE1 TYR 14 HE1 TYR 14 1.639 -8.710 4.763 93 HE2 TYR 14 HE2 TYR 14 4.663 -6.498 2.669 94 HH TYR 14 HH TYR 14 3.466 -8.559 1.931 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 10.481 -3.314 -4.659 2 H2 GLY 1 HT2 GLY 1 9.863 -1.733 -4.596 3 H3 GLY 1 HT3 GLY 1 9.269 -2.923 -3.540 4 HA2 GLY 1 HA2 GLY 1 12.136 -2.380 -3.452 5 HA3 GLY 1 HA1 GLY 1 11.058 -1.158 -2.776 6 H CYS 2 HN CYS 2 12.136 -1.851 -0.700 7 HA CYS 2 HA CYS 2 11.605 -4.496 0.370 8 HB2 CYS 2 HB3 CYS 2 12.293 -1.934 1.826 9 HB3 CYS 2 HB2 CYS 2 12.664 -3.586 2.327 10 H CYS 3 HN CYS 3 10.510 -1.381 1.754 11 HA CYS 3 HA CYS 3 8.270 -2.539 3.131 12 HB2 CYS 3 HB3 CYS 3 8.383 0.322 2.130 13 HB3 CYS 3 HB2 CYS 3 7.694 -0.279 3.633 14 HA PRO 4 HA PRO 4 5.268 -2.793 -0.087 15 HB2 PRO 4 HB3 PRO 4 2.973 -1.834 1.056 16 HB3 PRO 4 HB2 PRO 4 3.684 -3.404 1.491 17 HG2 PRO 4 HG2 PRO 4 3.780 -0.816 2.940 18 HG3 PRO 4 HG3 PRO 4 3.700 -2.466 3.575 19 HD2 PRO 4 HD2 PRO 4 5.986 -0.933 3.472 20 HD3 PRO 4 HD3 PRO 4 5.964 -2.709 3.563 21 H ALA 5 HN ALA 5 6.079 0.225 1.277 22 HA ALA 5 HA ALA 5 4.520 2.153 0.052 23 HB1 ALA 5 HB1 ALA 5 7.298 1.850 0.971 24 HB2 ALA 5 HB2 ALA 5 6.133 3.130 1.312 25 HB3 ALA 5 HB3 ALA 5 7.054 3.154 -0.191 26 HA PRO 6 HA PRO 6 7.366 0.013 -0.333 27 HB2 PRO 6 HB3 PRO 6 9.557 -0.634 -1.791 28 HB3 PRO 6 HB2 PRO 6 8.026 -1.524 -1.912 29 HG2 PRO 6 HG2 PRO 6 9.263 0.336 -3.810 30 HG3 PRO 6 HG3 PRO 6 8.062 -0.934 -4.088 31 HD2 PRO 6 HD2 PRO 6 7.619 1.875 -3.871 32 HD3 PRO 6 HD3 PRO 6 6.409 0.594 -4.084 33 H LEU 7 HN LEU 7 9.508 0.277 0.724 34 HA LEU 7 HA LEU 7 10.779 2.938 0.158 35 HB2 LEU 7 HB3 LEU 7 9.230 2.028 2.392 36 HB3 LEU 7 HB2 LEU 7 10.890 2.280 2.934 37 HG LEU 7 HG LEU 7 10.888 4.547 2.066 38 HD11 LEU 7 1HD1 LEU 7 9.602 4.962 0.262 39 HD12 LEU 7 2HD1 LEU 7 8.200 4.975 1.331 40 HD13 LEU 7 3HD1 LEU 7 8.686 3.484 0.533 41 HD21 LEU 7 1HD2 LEU 7 8.628 5.321 3.290 42 HD22 LEU 7 2HD2 LEU 7 10.019 4.731 4.200 43 HD23 LEU 7 3HD2 LEU 7 8.667 3.650 3.857 44 H THR 8 HN THR 8 12.795 2.850 1.997 45 HA THR 8 HA THR 8 14.761 1.127 0.866 46 HB THR 8 HB THR 8 15.108 3.244 2.168 47 HG1 THR 8 HG1 THR 8 16.454 1.279 3.611 48 HG21 THR 8 1HG2 THR 8 14.048 3.431 4.144 49 HG22 THR 8 2HG2 THR 8 15.170 2.240 4.802 50 HG23 THR 8 3HG2 THR 8 13.630 1.719 4.122 51 H CYS 9 HN CYS 9 15.968 -0.575 2.286 52 HA CYS 9 HA CYS 9 13.994 -2.543 3.196 53 HB2 CYS 9 HB3 CYS 9 16.861 -2.409 2.480 54 HB3 CYS 9 HB2 CYS 9 16.438 -3.630 3.688 55 H HIS 10 HN HIS 10 15.334 0.078 4.659 56 HA HIS 10 HA HIS 10 15.804 -1.171 7.306 57 HB2 HIS 10 HB3 HIS 10 16.702 1.092 5.893 58 HB3 HIS 10 HB2 HIS 10 15.665 1.742 7.167 59 HD1 HIS 10 HD1 HIS 10 19.026 0.505 6.585 60 HD2 HIS 10 HD2 HIS 10 16.441 0.642 9.853 61 HE1 HIS 10 HE1 HIS 10 20.456 0.151 8.645 62 H CYS 11 HN CYS 11 13.376 0.470 5.454 63 HA CYS 11 HA CYS 11 11.661 1.036 7.794 64 HB2 CYS 11 HB3 CYS 11 11.191 2.747 6.380 65 HB3 CYS 11 HB2 CYS 11 12.050 1.954 5.064 66 H VAL 12 HN VAL 12 12.214 -1.428 5.476 67 HA VAL 12 HA VAL 12 10.261 -2.821 4.558 68 HB VAL 12 HB VAL 12 12.528 -3.650 5.496 69 HG11 VAL 12 1HG1 VAL 12 10.858 -4.953 7.617 70 HG12 VAL 12 2HG1 VAL 12 11.520 -3.346 7.917 71 HG13 VAL 12 3HG1 VAL 12 12.603 -4.695 7.570 72 HG21 VAL 12 1HG2 VAL 12 10.148 -4.994 4.615 73 HG22 VAL 12 2HG2 VAL 12 10.972 -6.010 5.796 74 HG23 VAL 12 3HG2 VAL 12 11.830 -5.458 4.358 75 H ILE 13 HN ILE 13 8.162 -2.094 5.075 76 HA ILE 13 HA ILE 13 7.172 -2.440 7.846 77 HB ILE 13 HB ILE 13 6.079 -1.366 5.245 78 HG12 ILE 13 HG13 ILE 13 7.677 0.000 6.611 79 HG13 ILE 13 HG12 ILE 13 6.085 0.745 6.460 80 HG21 ILE 13 1HG2 ILE 13 4.655 -2.133 7.755 81 HG22 ILE 13 2HG2 ILE 13 4.078 -2.154 6.088 82 HG23 ILE 13 3HG2 ILE 13 4.176 -0.628 6.968 83 HD11 ILE 13 1HD1 ILE 13 7.450 0.138 8.850 84 HD12 ILE 13 2HD1 ILE 13 6.144 -1.043 8.735 85 HD13 ILE 13 3HD1 ILE 13 5.781 0.682 8.691 86 H TYR 14 HN TYR 14 6.578 -4.488 8.423 87 HA TYR 14 HA TYR 14 6.175 -6.746 6.906 88 HB2 TYR 14 HB2 TYR 14 5.777 -5.936 9.518 89 HB3 TYR 14 HB3 TYR 14 4.148 -6.397 9.013 90 HD1 TYR 14 HD1 TYR 14 3.550 -8.677 8.714 91 HD2 TYR 14 HD2 TYR 14 7.672 -7.586 9.211 92 HE1 TYR 14 HE1 TYR 14 4.156 -11.072 8.938 93 HE2 TYR 14 HE2 TYR 14 8.280 -9.979 9.437 94 HH TYR 14 HH TYR 14 5.989 -12.413 9.954 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 10.791 -1.249 -4.506 2 H2 GLY 1 HT2 GLY 1 11.810 -2.560 -4.149 3 H3 GLY 1 HT3 GLY 1 12.474 -1.061 -4.592 4 HA2 GLY 1 HA2 GLY 1 12.701 -0.718 -2.410 5 HA3 GLY 1 HA1 GLY 1 10.975 -0.361 -2.477 6 H CYS 2 HN CYS 2 12.277 -1.476 -0.181 7 HA CYS 2 HA CYS 2 11.621 -4.350 -0.154 8 HB2 CYS 2 HB3 CYS 2 12.595 -2.514 2.046 9 HB3 CYS 2 HB2 CYS 2 12.736 -4.273 1.984 10 H CYS 3 HN CYS 3 10.592 -1.408 1.601 11 HA CYS 3 HA CYS 3 8.552 -2.645 3.188 12 HB2 CYS 3 HB3 CYS 3 8.407 0.161 2.045 13 HB3 CYS 3 HB2 CYS 3 7.850 -0.401 3.619 14 HA PRO 4 HA PRO 4 5.298 -3.179 0.260 15 HB2 PRO 4 HB3 PRO 4 3.060 -2.274 1.554 16 HB3 PRO 4 HB2 PRO 4 3.881 -3.787 1.992 17 HG2 PRO 4 HG2 PRO 4 3.937 -1.148 3.331 18 HG3 PRO 4 HG3 PRO 4 4.048 -2.772 4.024 19 HD2 PRO 4 HD2 PRO 4 6.180 -1.053 3.616 20 HD3 PRO 4 HD3 PRO 4 6.311 -2.809 3.852 21 H ALA 5 HN ALA 5 6.043 -0.062 1.439 22 HA ALA 5 HA ALA 5 4.287 1.714 0.227 23 HB1 ALA 5 HB1 ALA 5 7.057 1.637 1.136 24 HB2 ALA 5 HB2 ALA 5 5.854 2.915 1.318 25 HB3 ALA 5 HB3 ALA 5 6.806 2.803 -0.162 26 HA PRO 6 HA PRO 6 7.214 -0.312 -0.204 27 HB2 PRO 6 HB3 PRO 6 9.377 -0.904 -1.721 28 HB3 PRO 6 HB2 PRO 6 7.876 -1.845 -1.792 29 HG2 PRO 6 HG2 PRO 6 8.988 0.044 -3.737 30 HG3 PRO 6 HG3 PRO 6 7.843 -1.286 -3.972 31 HD2 PRO 6 HD2 PRO 6 7.267 1.495 -3.787 32 HD3 PRO 6 HD3 PRO 6 6.115 0.153 -3.929 33 H LEU 7 HN LEU 7 9.537 -0.028 0.609 34 HA LEU 7 HA LEU 7 10.708 2.633 -0.061 35 HB2 LEU 7 HB3 LEU 7 9.113 2.011 2.220 36 HB3 LEU 7 HB2 LEU 7 10.775 2.217 2.778 37 HG LEU 7 HG LEU 7 10.927 4.391 1.723 38 HD11 LEU 7 1HD1 LEU 7 8.305 3.544 0.528 39 HD12 LEU 7 2HD1 LEU 7 9.719 4.217 -0.278 40 HD13 LEU 7 3HD1 LEU 7 8.679 5.257 0.697 41 HD21 LEU 7 1HD2 LEU 7 10.023 4.865 3.784 42 HD22 LEU 7 2HD2 LEU 7 8.654 3.777 3.548 43 HD23 LEU 7 3HD2 LEU 7 8.651 5.374 2.799 44 H THR 8 HN THR 8 12.784 2.737 1.647 45 HA THR 8 HA THR 8 14.721 0.940 0.694 46 HB THR 8 HB THR 8 15.147 3.068 1.862 47 HG1 THR 8 HG1 THR 8 16.761 2.216 3.341 48 HG21 THR 8 1HG2 THR 8 13.659 3.319 3.599 49 HG22 THR 8 2HG2 THR 8 15.032 2.694 4.514 50 HG23 THR 8 3HG2 THR 8 13.726 1.613 4.032 51 H CYS 9 HN CYS 9 15.972 -0.659 2.171 52 HA CYS 9 HA CYS 9 14.098 -2.704 3.141 53 HB2 CYS 9 HB3 CYS 9 16.949 -2.413 2.412 54 HB3 CYS 9 HB2 CYS 9 16.635 -3.579 3.701 55 H HIS 10 HN HIS 10 15.494 0.006 4.537 56 HA HIS 10 HA HIS 10 15.914 -1.196 7.210 57 HB2 HIS 10 HB3 HIS 10 17.321 0.648 6.159 58 HB3 HIS 10 HB2 HIS 10 15.920 1.711 6.330 59 HD1 HIS 10 HD1 HIS 10 16.506 -0.834 8.979 60 HD2 HIS 10 HD2 HIS 10 17.334 3.205 8.361 61 HE1 HIS 10 HE1 HIS 10 17.207 0.105 11.224 62 H CYS 11 HN CYS 11 13.478 0.380 5.338 63 HA CYS 11 HA CYS 11 11.828 1.073 7.693 64 HB2 CYS 11 HB3 CYS 11 11.311 2.714 6.207 65 HB3 CYS 11 HB2 CYS 11 12.135 1.858 4.909 66 H VAL 12 HN VAL 12 12.163 -1.303 5.164 67 HA VAL 12 HA VAL 12 10.291 -2.829 4.469 68 HB VAL 12 HB VAL 12 12.526 -3.453 6.267 69 HG11 VAL 12 1HG1 VAL 12 10.080 -5.203 6.240 70 HG12 VAL 12 2HG1 VAL 12 11.176 -4.845 7.574 71 HG13 VAL 12 3HG1 VAL 12 11.677 -5.948 6.293 72 HG21 VAL 12 1HG2 VAL 12 11.564 -5.206 4.048 73 HG22 VAL 12 2HG2 VAL 12 13.206 -4.713 4.458 74 HG23 VAL 12 3HG2 VAL 12 12.125 -3.584 3.643 75 H ILE 13 HN ILE 13 8.209 -2.115 5.074 76 HA ILE 13 HA ILE 13 7.344 -2.544 7.892 77 HB ILE 13 HB ILE 13 6.119 -1.257 5.438 78 HG12 ILE 13 HG13 ILE 13 6.806 0.064 8.055 79 HG13 ILE 13 HG12 ILE 13 8.052 -0.198 6.835 80 HG21 ILE 13 1HG2 ILE 13 5.008 -1.653 8.223 81 HG22 ILE 13 2HG2 ILE 13 4.282 -2.146 6.694 82 HG23 ILE 13 3HG2 ILE 13 4.388 -0.435 7.107 83 HD11 ILE 13 1HD1 ILE 13 7.139 2.002 6.460 84 HD12 ILE 13 2HD1 ILE 13 5.489 1.383 6.520 85 HD13 ILE 13 3HD1 ILE 13 6.540 0.959 5.170 86 H TYR 14 HN TYR 14 5.305 -3.730 8.281 87 HA TYR 14 HA TYR 14 5.223 -6.319 7.087 88 HB2 TYR 14 HB2 TYR 14 2.969 -4.845 8.480 89 HB3 TYR 14 HB3 TYR 14 3.268 -6.587 8.470 90 HD1 TYR 14 HD1 TYR 14 3.352 -3.978 10.613 91 HD2 TYR 14 HD2 TYR 14 6.046 -6.927 9.031 92 HE1 TYR 14 HE1 TYR 14 4.789 -3.743 12.620 93 HE2 TYR 14 HE2 TYR 14 7.482 -6.692 11.040 94 HH TYR 14 HH TYR 14 6.461 -4.897 13.830 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 11.147 -5.286 -4.237 2 H2 GLY 1 HT2 GLY 1 12.310 -4.643 -3.178 3 H3 GLY 1 HT3 GLY 1 11.820 -3.760 -4.544 4 HA2 GLY 1 HA2 GLY 1 10.576 -2.705 -2.979 5 HA3 GLY 1 HA1 GLY 1 9.468 -3.996 -3.444 6 H CYS 2 HN CYS 2 11.476 -2.754 -0.908 7 HA CYS 2 HA CYS 2 11.314 -5.143 0.773 8 HB2 CYS 2 HB3 CYS 2 12.090 -2.274 1.370 9 HB3 CYS 2 HB2 CYS 2 12.471 -3.683 2.363 10 H CYS 3 HN CYS 3 10.333 -1.857 1.751 11 HA CYS 3 HA CYS 3 8.238 -2.808 3.485 12 HB2 CYS 3 HB3 CYS 3 8.163 -0.084 2.194 13 HB3 CYS 3 HB2 CYS 3 7.779 -0.530 3.850 14 HA PRO 4 HA PRO 4 4.892 -3.060 0.609 15 HB2 PRO 4 HB3 PRO 4 2.808 -1.757 1.814 16 HB3 PRO 4 HB2 PRO 4 3.437 -3.315 2.390 17 HG2 PRO 4 HG2 PRO 4 3.754 -0.624 3.532 18 HG3 PRO 4 HG3 PRO 4 3.832 -2.205 4.319 19 HD2 PRO 4 HD2 PRO 4 6.003 -0.560 3.570 20 HD3 PRO 4 HD3 PRO 4 6.085 -2.227 4.183 21 H ALA 5 HN ALA 5 6.257 -0.069 1.281 22 HA ALA 5 HA ALA 5 4.624 1.806 -0.089 23 HB1 ALA 5 HB1 ALA 5 6.287 2.895 1.011 24 HB2 ALA 5 HB2 ALA 5 7.214 2.645 -0.468 25 HB3 ALA 5 HB3 ALA 5 7.387 1.523 0.882 26 HA PRO 6 HA PRO 6 7.485 -0.299 -0.111 27 HB2 PRO 6 HB3 PRO 6 9.637 -1.245 -1.462 28 HB3 PRO 6 HB2 PRO 6 8.103 -2.131 -1.357 29 HG2 PRO 6 HG2 PRO 6 9.302 -0.754 -3.639 30 HG3 PRO 6 HG3 PRO 6 8.036 -1.990 -3.603 31 HD2 PRO 6 HD2 PRO 6 7.744 0.853 -3.917 32 HD3 PRO 6 HD3 PRO 6 6.481 -0.397 -3.932 33 H LEU 7 HN LEU 7 9.443 0.318 0.956 34 HA LEU 7 HA LEU 7 10.785 2.744 -0.199 35 HB2 LEU 7 HB3 LEU 7 9.303 2.217 2.227 36 HB3 LEU 7 HB2 LEU 7 10.952 2.706 2.626 37 HG LEU 7 HG LEU 7 10.720 4.708 1.238 38 HD11 LEU 7 1HD1 LEU 7 8.930 5.096 -0.173 39 HD12 LEU 7 2HD1 LEU 7 7.803 4.194 0.841 40 HD13 LEU 7 3HD1 LEU 7 8.929 3.336 -0.205 41 HD21 LEU 7 1HD2 LEU 7 9.436 5.913 2.754 42 HD22 LEU 7 2HD2 LEU 7 9.693 4.433 3.677 43 HD23 LEU 7 3HD2 LEU 7 8.172 4.684 2.819 44 H THR 8 HN THR 8 12.893 2.996 1.524 45 HA THR 8 HA THR 8 14.875 1.236 0.708 46 HB THR 8 HB THR 8 15.271 3.270 2.014 47 HG1 THR 8 HG1 THR 8 16.942 1.892 2.228 48 HG21 THR 8 1HG2 THR 8 14.217 1.778 4.422 49 HG22 THR 8 2HG2 THR 8 13.225 2.892 3.482 50 HG23 THR 8 3HG2 THR 8 14.663 3.480 4.318 51 H CYS 9 HN CYS 9 15.922 -0.611 1.943 52 HA CYS 9 HA CYS 9 13.874 -2.517 2.765 53 HB2 CYS 9 HB3 CYS 9 16.522 -2.522 1.744 54 HB3 CYS 9 HB2 CYS 9 16.545 -3.418 3.268 55 H HIS 10 HN HIS 10 15.386 -0.067 4.406 56 HA HIS 10 HA HIS 10 15.621 -1.526 6.983 57 HB2 HIS 10 HB3 HIS 10 16.672 0.863 5.723 58 HB3 HIS 10 HB2 HIS 10 15.949 1.273 7.283 59 HD1 HIS 10 HD1 HIS 10 16.801 -0.257 9.363 60 HD2 HIS 10 HD2 HIS 10 19.153 -0.361 5.922 61 HE1 HIS 10 HE1 HIS 10 19.044 -1.210 10.057 62 H CYS 11 HN CYS 11 13.377 0.277 5.138 63 HA CYS 11 HA CYS 11 11.767 1.198 7.436 64 HB2 CYS 11 HB3 CYS 11 11.385 2.789 5.858 65 HB3 CYS 11 HB2 CYS 11 12.225 1.823 4.650 66 H VAL 12 HN VAL 12 12.077 -1.581 5.486 67 HA VAL 12 HA VAL 12 9.885 -2.781 4.712 68 HB VAL 12 HB VAL 12 12.055 -3.867 5.393 69 HG11 VAL 12 1HG1 VAL 12 12.557 -4.319 7.567 70 HG12 VAL 12 2HG1 VAL 12 10.885 -4.710 7.972 71 HG13 VAL 12 3HG1 VAL 12 11.406 -3.027 7.910 72 HG21 VAL 12 1HG2 VAL 12 11.051 -5.874 5.050 73 HG22 VAL 12 2HG2 VAL 12 9.547 -4.954 4.986 74 HG23 VAL 12 3HG2 VAL 12 10.052 -5.714 6.495 75 H ILE 13 HN ILE 13 7.937 -1.759 5.375 76 HA ILE 13 HA ILE 13 7.131 -1.927 8.222 77 HB ILE 13 HB ILE 13 6.081 -0.725 5.664 78 HG12 ILE 13 HG13 ILE 13 6.016 0.880 8.083 79 HG13 ILE 13 HG12 ILE 13 7.612 0.169 7.844 80 HG21 ILE 13 1HG2 ILE 13 4.026 -1.491 6.501 81 HG22 ILE 13 2HG2 ILE 13 4.159 0.114 7.221 82 HG23 ILE 13 3HG2 ILE 13 4.538 -1.317 8.180 83 HD11 ILE 13 1HD1 ILE 13 6.728 1.051 5.298 84 HD12 ILE 13 2HD1 ILE 13 8.034 1.724 6.275 85 HD13 ILE 13 3HD1 ILE 13 6.396 2.361 6.430 86 H TYR 14 HN TYR 14 7.442 -4.235 6.083 87 HA TYR 14 HA TYR 14 6.412 -6.326 5.757 88 HB2 TYR 14 HB2 TYR 14 6.257 -6.023 8.271 89 HB3 TYR 14 HB3 TYR 14 4.622 -5.398 8.025 90 HD1 TYR 14 HD1 TYR 14 2.819 -6.850 7.216 91 HD2 TYR 14 HD2 TYR 14 6.781 -8.372 7.885 92 HE1 TYR 14 HE1 TYR 14 1.948 -9.170 7.100 93 HE2 TYR 14 HE2 TYR 14 5.911 -10.690 7.768 94 HH TYR 14 HH TYR 14 2.992 -11.496 6.498 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 10.590 -7.722 -0.156 2 H2 GLY 1 HT2 GLY 1 10.029 -7.797 1.445 3 H3 GLY 1 HT3 GLY 1 10.716 -9.170 0.718 4 HA2 GLY 1 HA2 GLY 1 12.402 -8.365 2.088 5 HA3 GLY 1 HA1 GLY 1 12.820 -7.798 0.470 6 H CYS 2 HN CYS 2 11.494 -5.610 -0.027 7 HA CYS 2 HA CYS 2 12.359 -3.726 2.077 8 HB2 CYS 2 HB3 CYS 2 11.807 -3.758 -0.818 9 HB3 CYS 2 HB2 CYS 2 11.304 -2.270 -0.011 10 H CYS 3 HN CYS 3 10.482 -1.642 1.605 11 HA CYS 3 HA CYS 3 8.210 -2.641 3.190 12 HB2 CYS 3 HB3 CYS 3 8.305 0.123 2.024 13 HB3 CYS 3 HB2 CYS 3 7.789 -0.392 3.623 14 HA PRO 4 HA PRO 4 5.380 -3.064 -0.154 15 HB2 PRO 4 HB3 PRO 4 3.042 -2.230 0.998 16 HB3 PRO 4 HB2 PRO 4 3.819 -3.773 1.412 17 HG2 PRO 4 HG2 PRO 4 3.805 -1.202 2.898 18 HG3 PRO 4 HG3 PRO 4 3.778 -2.861 3.510 19 HD2 PRO 4 HD2 PRO 4 6.014 -1.256 3.453 20 HD3 PRO 4 HD3 PRO 4 6.049 -3.034 3.496 21 H ALA 5 HN ALA 5 5.880 -0.027 1.398 22 HA ALA 5 HA ALA 5 4.327 1.878 0.231 23 HB1 ALA 5 HB1 ALA 5 6.809 2.964 -0.099 24 HB2 ALA 5 HB2 ALA 5 7.162 1.624 0.992 25 HB3 ALA 5 HB3 ALA 5 5.980 2.849 1.451 26 HA PRO 6 HA PRO 6 7.212 -0.142 -0.322 27 HB2 PRO 6 HB3 PRO 6 9.333 -0.728 -1.907 28 HB3 PRO 6 HB2 PRO 6 7.819 -1.652 -1.945 29 HG2 PRO 6 HG2 PRO 6 8.909 0.224 -3.908 30 HG3 PRO 6 HG3 PRO 6 7.694 -1.047 -4.110 31 HD2 PRO 6 HD2 PRO 6 7.272 1.771 -3.831 32 HD3 PRO 6 HD3 PRO 6 6.055 0.492 -4.026 33 H LEU 7 HN LEU 7 9.418 0.149 0.598 34 HA LEU 7 HA LEU 7 10.711 2.757 -0.090 35 HB2 LEU 7 HB3 LEU 7 9.053 2.164 2.158 36 HB3 LEU 7 HB2 LEU 7 10.706 2.335 2.749 37 HG LEU 7 HG LEU 7 10.920 4.519 1.761 38 HD11 LEU 7 1HD1 LEU 7 8.729 5.400 0.592 39 HD12 LEU 7 2HD1 LEU 7 8.411 3.687 0.343 40 HD13 LEU 7 3HD1 LEU 7 9.871 4.415 -0.322 41 HD21 LEU 7 1HD2 LEU 7 9.304 5.741 3.028 42 HD22 LEU 7 2HD2 LEU 7 9.540 4.231 3.907 43 HD23 LEU 7 3HD2 LEU 7 8.113 4.447 2.893 44 H THR 8 HN THR 8 12.860 2.857 1.342 45 HA THR 8 HA THR 8 14.683 0.925 0.563 46 HB THR 8 HB THR 8 15.047 3.116 1.801 47 HG1 THR 8 HG1 THR 8 16.936 2.229 1.811 48 HG21 THR 8 1HG2 THR 8 13.634 1.654 3.820 49 HG22 THR 8 2HG2 THR 8 14.179 3.330 3.859 50 HG23 THR 8 3HG2 THR 8 15.244 2.043 4.426 51 H CYS 9 HN CYS 9 15.593 -0.976 1.664 52 HA CYS 9 HA CYS 9 13.551 -2.647 2.876 53 HB2 CYS 9 HB3 CYS 9 16.424 -2.872 2.067 54 HB3 CYS 9 HB2 CYS 9 15.736 -4.123 3.111 55 H HIS 10 HN HIS 10 15.311 -0.201 4.203 56 HA HIS 10 HA HIS 10 15.896 -1.539 6.782 57 HB2 HIS 10 HB3 HIS 10 16.808 0.722 5.306 58 HB3 HIS 10 HB2 HIS 10 16.108 1.336 6.808 59 HD1 HIS 10 HD1 HIS 10 16.958 -0.117 9.035 60 HD2 HIS 10 HD2 HIS 10 19.398 -0.165 5.655 61 HE1 HIS 10 HE1 HIS 10 19.249 -0.860 9.816 62 H CYS 11 HN CYS 11 13.368 0.147 5.194 63 HA CYS 11 HA CYS 11 12.038 1.031 7.682 64 HB2 CYS 11 HB3 CYS 11 11.328 2.596 6.202 65 HB3 CYS 11 HB2 CYS 11 12.119 1.726 4.892 66 H VAL 12 HN VAL 12 11.685 -1.309 5.071 67 HA VAL 12 HA VAL 12 9.916 -2.895 4.716 68 HB VAL 12 HB VAL 12 12.105 -3.693 5.897 69 HG11 VAL 12 1HG1 VAL 12 11.003 -2.958 8.178 70 HG12 VAL 12 2HG1 VAL 12 11.983 -4.422 8.104 71 HG13 VAL 12 3HG1 VAL 12 10.223 -4.537 8.076 72 HG21 VAL 12 1HG2 VAL 12 10.755 -5.194 4.584 73 HG22 VAL 12 2HG2 VAL 12 9.519 -5.270 5.838 74 HG23 VAL 12 3HG2 VAL 12 11.098 -6.006 6.111 75 H ILE 13 HN ILE 13 7.854 -1.929 5.039 76 HA ILE 13 HA ILE 13 6.848 -1.699 7.822 77 HB ILE 13 HB ILE 13 5.436 -1.243 5.177 78 HG12 ILE 13 HG13 ILE 13 7.580 0.056 5.404 79 HG13 ILE 13 HG12 ILE 13 6.146 1.077 5.331 80 HG21 ILE 13 1HG2 ILE 13 3.964 0.178 6.482 81 HG22 ILE 13 2HG2 ILE 13 4.956 -0.054 7.923 82 HG23 ILE 13 3HG2 ILE 13 4.041 -1.406 7.254 83 HD11 ILE 13 1HD1 ILE 13 6.382 0.575 8.038 84 HD12 ILE 13 2HD1 ILE 13 6.949 2.032 7.223 85 HD13 ILE 13 3HD1 ILE 13 8.064 0.699 7.524 86 H TYR 14 HN TYR 14 7.530 -4.349 6.982 87 HA TYR 14 HA TYR 14 5.281 -5.851 7.779 88 HB2 TYR 14 HB2 TYR 14 5.098 -4.786 5.150 89 HB3 TYR 14 HB3 TYR 14 5.369 -6.524 4.975 90 HD1 TYR 14 HD1 TYR 14 4.075 -7.469 7.525 91 HD2 TYR 14 HD2 TYR 14 2.795 -4.604 4.593 92 HE1 TYR 14 HE1 TYR 14 1.710 -7.897 8.137 93 HE2 TYR 14 HE2 TYR 14 0.432 -5.032 5.205 94 HH TYR 14 HH TYR 14 -0.811 -7.203 6.324 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 13.183 -0.563 -3.927 2 H2 GLY 1 HT2 GLY 1 12.899 -2.152 -4.456 3 H3 GLY 1 HT3 GLY 1 13.538 -1.872 -2.908 4 HA2 GLY 1 HA2 GLY 1 11.338 -0.487 -2.621 5 HA3 GLY 1 HA1 GLY 1 10.785 -1.609 -3.867 6 H CYS 2 HN CYS 2 12.175 -1.427 -0.614 7 HA CYS 2 HA CYS 2 11.740 -4.308 -0.155 8 HB2 CYS 2 HB3 CYS 2 13.341 -2.184 0.871 9 HB3 CYS 2 HB2 CYS 2 12.376 -2.825 2.205 10 H CYS 3 HN CYS 3 10.727 -1.400 1.683 11 HA CYS 3 HA CYS 3 8.616 -2.663 3.115 12 HB2 CYS 3 HB3 CYS 3 8.483 0.199 2.121 13 HB3 CYS 3 HB2 CYS 3 7.913 -0.449 3.652 14 HA PRO 4 HA PRO 4 5.440 -3.057 0.075 15 HB2 PRO 4 HB3 PRO 4 3.178 -2.225 1.372 16 HB3 PRO 4 HB2 PRO 4 3.987 -3.764 1.740 17 HG2 PRO 4 HG2 PRO 4 4.061 -1.186 3.212 18 HG3 PRO 4 HG3 PRO 4 4.081 -2.843 3.831 19 HD2 PRO 4 HD2 PRO 4 6.299 -1.234 3.623 20 HD3 PRO 4 HD3 PRO 4 6.348 -3.009 3.663 21 H ALA 5 HN ALA 5 6.090 -0.012 1.517 22 HA ALA 5 HA ALA 5 4.409 1.857 0.419 23 HB1 ALA 5 HB1 ALA 5 6.069 2.818 1.645 24 HB2 ALA 5 HB2 ALA 5 6.810 3.047 0.062 25 HB3 ALA 5 HB3 ALA 5 7.289 1.682 1.069 26 HA PRO 6 HA PRO 6 7.292 -0.151 -0.235 27 HB2 PRO 6 HB3 PRO 6 9.348 -0.754 -1.901 28 HB3 PRO 6 HB2 PRO 6 7.817 -1.653 -1.904 29 HG2 PRO 6 HG2 PRO 6 8.872 0.236 -3.873 30 HG3 PRO 6 HG3 PRO 6 7.632 -1.015 -4.054 31 HD2 PRO 6 HD2 PRO 6 7.263 1.804 -3.719 32 HD3 PRO 6 HD3 PRO 6 6.021 0.546 -3.894 33 H LEU 7 HN LEU 7 9.498 0.132 0.654 34 HA LEU 7 HA LEU 7 10.789 2.741 -0.064 35 HB2 LEU 7 HB3 LEU 7 9.252 2.068 2.259 36 HB3 LEU 7 HB2 LEU 7 10.934 2.285 2.747 37 HG LEU 7 HG LEU 7 11.016 4.481 1.746 38 HD11 LEU 7 1HD1 LEU 7 8.568 5.221 0.877 39 HD12 LEU 7 2HD1 LEU 7 8.518 3.509 0.470 40 HD13 LEU 7 3HD1 LEU 7 9.789 4.531 -0.192 41 HD21 LEU 7 1HD2 LEU 7 10.133 4.667 3.925 42 HD22 LEU 7 2HD2 LEU 7 8.616 3.890 3.475 43 HD23 LEU 7 3HD2 LEU 7 8.952 5.537 2.946 44 H THR 8 HN THR 8 12.818 2.672 1.834 45 HA THR 8 HA THR 8 14.727 0.864 0.749 46 HB THR 8 HB THR 8 15.129 2.995 2.005 47 HG1 THR 8 HG1 THR 8 16.950 2.209 3.055 48 HG21 THR 8 1HG2 THR 8 14.173 3.264 4.024 49 HG22 THR 8 2HG2 THR 8 15.168 1.950 4.656 50 HG23 THR 8 3HG2 THR 8 13.581 1.604 3.972 51 H CYS 9 HN CYS 9 15.934 -0.765 2.280 52 HA CYS 9 HA CYS 9 13.973 -2.763 3.164 53 HB2 CYS 9 HB3 CYS 9 16.986 -2.604 2.955 54 HB3 CYS 9 HB2 CYS 9 16.153 -4.032 3.577 55 H HIS 10 HN HIS 10 15.360 -0.105 4.621 56 HA HIS 10 HA HIS 10 15.711 -1.319 7.298 57 HB2 HIS 10 HB3 HIS 10 16.999 0.641 6.030 58 HB3 HIS 10 HB2 HIS 10 15.701 1.625 6.712 59 HD1 HIS 10 HD1 HIS 10 18.737 1.750 7.643 60 HD2 HIS 10 HD2 HIS 10 15.691 -0.327 9.588 61 HE1 HIS 10 HE1 HIS 10 19.474 1.493 10.051 62 H CYS 11 HN CYS 11 13.369 0.436 5.411 63 HA CYS 11 HA CYS 11 11.686 1.094 7.750 64 HB2 CYS 11 HB3 CYS 11 11.189 2.794 6.344 65 HB3 CYS 11 HB2 CYS 11 12.155 2.042 5.078 66 H VAL 12 HN VAL 12 12.153 -1.504 5.624 67 HA VAL 12 HA VAL 12 10.104 -2.767 4.666 68 HB VAL 12 HB VAL 12 12.324 -3.678 5.724 69 HG11 VAL 12 1HG1 VAL 12 11.314 -3.389 8.084 70 HG12 VAL 12 2HG1 VAL 12 12.136 -4.909 7.733 71 HG13 VAL 12 3HG1 VAL 12 10.374 -4.835 7.714 72 HG21 VAL 12 1HG2 VAL 12 9.822 -5.361 5.418 73 HG22 VAL 12 2HG2 VAL 12 11.466 -5.996 5.434 74 HG23 VAL 12 3HG2 VAL 12 10.949 -4.921 4.135 75 H ILE 13 HN ILE 13 8.009 -2.018 5.095 76 HA ILE 13 HA ILE 13 6.989 -2.198 7.886 77 HB ILE 13 HB ILE 13 5.662 -1.287 5.315 78 HG12 ILE 13 HG13 ILE 13 7.728 -0.002 5.891 79 HG13 ILE 13 HG12 ILE 13 6.266 0.976 6.024 80 HG21 ILE 13 1HG2 ILE 13 4.884 -0.219 7.969 81 HG22 ILE 13 2HG2 ILE 13 4.457 -1.904 7.666 82 HG23 ILE 13 3HG2 ILE 13 3.878 -0.639 6.582 83 HD11 ILE 13 1HD1 ILE 13 7.686 1.349 7.983 84 HD12 ILE 13 2HD1 ILE 13 7.717 -0.384 8.312 85 HD13 ILE 13 3HD1 ILE 13 6.208 0.516 8.465 86 H TYR 14 HN TYR 14 6.522 -4.324 8.394 87 HA TYR 14 HA TYR 14 5.683 -6.358 6.601 88 HB2 TYR 14 HB2 TYR 14 6.573 -6.499 8.982 89 HB3 TYR 14 HB3 TYR 14 4.950 -6.062 9.527 90 HD1 TYR 14 HD1 TYR 14 7.086 -8.706 8.302 91 HD2 TYR 14 HD2 TYR 14 2.989 -7.546 8.865 92 HE1 TYR 14 HE1 TYR 14 6.386 -11.073 8.073 93 HE2 TYR 14 HE2 TYR 14 2.288 -9.914 8.637 94 HH TYR 14 HH TYR 14 3.034 -12.058 8.608 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 13.454 -2.004 -2.982 2 H2 GLY 1 HT2 GLY 1 13.323 -0.322 -2.780 3 H3 GLY 1 HT3 GLY 1 12.922 -1.035 -4.269 4 HA2 GLY 1 HA2 GLY 1 11.173 -0.422 -2.276 5 HA3 GLY 1 HA1 GLY 1 10.859 -1.506 -3.631 6 H CYS 2 HN CYS 2 12.146 -1.443 -0.313 7 HA CYS 2 HA CYS 2 11.904 -4.378 -0.098 8 HB2 CYS 2 HB3 CYS 2 13.425 -2.298 1.067 9 HB3 CYS 2 HB2 CYS 2 12.442 -2.978 2.368 10 H CYS 3 HN CYS 3 10.520 -1.519 1.538 11 HA CYS 3 HA CYS 3 8.542 -3.092 3.002 12 HB2 CYS 3 HB3 CYS 3 8.010 -0.213 2.389 13 HB3 CYS 3 HB2 CYS 3 7.913 -1.061 3.928 14 HA PRO 4 HA PRO 4 5.389 -3.236 -0.077 15 HB2 PRO 4 HB3 PRO 4 3.110 -2.518 1.262 16 HB3 PRO 4 HB2 PRO 4 3.920 -4.081 1.509 17 HG2 PRO 4 HG2 PRO 4 3.967 -1.638 3.193 18 HG3 PRO 4 HG3 PRO 4 3.996 -3.340 3.666 19 HD2 PRO 4 HD2 PRO 4 6.202 -1.697 3.617 20 HD3 PRO 4 HD3 PRO 4 6.265 -3.471 3.516 21 H ALA 5 HN ALA 5 5.997 -0.328 1.644 22 HA ALA 5 HA ALA 5 4.387 1.668 0.729 23 HB1 ALA 5 HB1 ALA 5 7.231 1.320 1.357 24 HB2 ALA 5 HB2 ALA 5 6.105 2.565 1.899 25 HB3 ALA 5 HB3 ALA 5 6.902 2.717 0.334 26 HA PRO 6 HA PRO 6 7.227 -0.300 -0.129 27 HB2 PRO 6 HB3 PRO 6 9.156 -0.912 -1.935 28 HB3 PRO 6 HB2 PRO 6 7.596 -1.756 -1.883 29 HG2 PRO 6 HG2 PRO 6 8.613 0.128 -3.861 30 HG3 PRO 6 HG3 PRO 6 7.272 -1.022 -3.978 31 HD2 PRO 6 HD2 PRO 6 7.166 1.818 -3.486 32 HD3 PRO 6 HD3 PRO 6 5.822 0.677 -3.718 33 H LEU 7 HN LEU 7 9.174 0.144 0.989 34 HA LEU 7 HA LEU 7 10.615 2.625 0.089 35 HB2 LEU 7 HB3 LEU 7 9.174 1.937 2.483 36 HB3 LEU 7 HB2 LEU 7 10.868 2.233 2.882 37 HG LEU 7 HG LEU 7 10.801 4.399 1.766 38 HD11 LEU 7 1HD1 LEU 7 7.935 4.538 1.307 39 HD12 LEU 7 2HD1 LEU 7 8.669 3.242 0.369 40 HD13 LEU 7 3HD1 LEU 7 9.258 4.892 0.198 41 HD21 LEU 7 1HD2 LEU 7 10.071 5.115 3.781 42 HD22 LEU 7 2HD2 LEU 7 9.075 3.676 3.993 43 HD23 LEU 7 3HD2 LEU 7 8.437 5.071 3.123 44 H THR 8 HN THR 8 12.714 2.532 1.884 45 HA THR 8 HA THR 8 14.503 0.625 0.712 46 HB THR 8 HB THR 8 15.136 2.805 1.668 47 HG1 THR 8 HG1 THR 8 16.958 1.826 1.914 48 HG21 THR 8 1HG2 THR 8 14.911 3.345 3.938 49 HG22 THR 8 2HG2 THR 8 14.760 1.658 4.423 50 HG23 THR 8 3HG2 THR 8 13.421 2.462 3.608 51 H CYS 9 HN CYS 9 15.808 -0.957 2.101 52 HA CYS 9 HA CYS 9 14.034 -2.888 3.362 53 HB2 CYS 9 HB3 CYS 9 17.039 -2.615 3.048 54 HB3 CYS 9 HB2 CYS 9 16.257 -4.050 3.717 55 H HIS 10 HN HIS 10 15.454 -0.059 4.485 56 HA HIS 10 HA HIS 10 15.921 -1.013 7.246 57 HB2 HIS 10 HB3 HIS 10 16.908 1.013 5.612 58 HB3 HIS 10 HB2 HIS 10 15.827 1.878 6.709 59 HD1 HIS 10 HD1 HIS 10 16.453 1.938 9.212 60 HD2 HIS 10 HD2 HIS 10 19.152 -0.230 6.888 61 HE1 HIS 10 HE1 HIS 10 18.475 1.508 10.676 62 H CYS 11 HN CYS 11 13.430 0.324 5.261 63 HA CYS 11 HA CYS 11 11.821 1.283 7.548 64 HB2 CYS 11 HB3 CYS 11 11.263 2.709 5.871 65 HB3 CYS 11 HB2 CYS 11 12.048 1.684 4.674 66 H VAL 12 HN VAL 12 11.865 -1.266 5.101 67 HA VAL 12 HA VAL 12 9.955 -2.843 4.769 68 HB VAL 12 HB VAL 12 12.323 -3.421 6.468 69 HG11 VAL 12 1HG1 VAL 12 11.381 -5.934 6.334 70 HG12 VAL 12 2HG1 VAL 12 9.845 -5.088 6.512 71 HG13 VAL 12 3HG1 VAL 12 11.097 -4.909 7.741 72 HG21 VAL 12 1HG2 VAL 12 11.349 -3.842 3.782 73 HG22 VAL 12 2HG2 VAL 12 11.865 -5.373 4.487 74 HG23 VAL 12 3HG2 VAL 12 12.989 -4.017 4.407 75 H ILE 13 HN ILE 13 8.053 -1.767 5.675 76 HA ILE 13 HA ILE 13 7.539 -2.202 8.572 77 HB ILE 13 HB ILE 13 7.099 -0.056 7.276 78 HG12 ILE 13 HG13 ILE 13 4.890 -1.470 8.795 79 HG13 ILE 13 HG12 ILE 13 6.069 -0.320 9.429 80 HG21 ILE 13 1HG2 ILE 13 5.916 -1.706 5.457 81 HG22 ILE 13 2HG2 ILE 13 5.565 0.015 5.585 82 HG23 ILE 13 3HG2 ILE 13 4.507 -1.161 6.364 83 HD11 ILE 13 1HD1 ILE 13 3.803 0.689 9.046 84 HD12 ILE 13 2HD1 ILE 13 3.998 0.362 7.324 85 HD13 ILE 13 3HD1 ILE 13 5.089 1.484 8.136 86 H TYR 14 HN TYR 14 6.487 -3.457 5.454 87 HA TYR 14 HA TYR 14 5.115 -5.683 6.801 88 HB2 TYR 14 HB2 TYR 14 3.731 -3.371 5.481 89 HB3 TYR 14 HB3 TYR 14 3.007 -4.976 5.349 90 HD1 TYR 14 HD1 TYR 14 3.705 -6.198 7.930 91 HD2 TYR 14 HD2 TYR 14 2.411 -2.202 7.033 92 HE1 TYR 14 HE1 TYR 14 2.798 -5.974 10.228 93 HE2 TYR 14 HE2 TYR 14 1.505 -1.977 9.330 94 HH TYR 14 HH TYR 14 1.867 -2.988 11.556 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 9.867 -6.656 -1.741 2 H2 GLY 1 HT2 GLY 1 11.011 -7.829 -2.189 3 H3 GLY 1 HT3 GLY 1 10.255 -6.878 -3.376 4 HA2 GLY 1 HA2 GLY 1 12.649 -6.303 -2.623 5 HA3 GLY 1 HA1 GLY 1 11.477 -5.013 -2.893 6 H CYS 2 HN CYS 2 11.783 -3.515 -1.316 7 HA CYS 2 HA CYS 2 12.617 -4.332 1.396 8 HB2 CYS 2 HB3 CYS 2 12.071 -1.663 0.066 9 HB3 CYS 2 HB2 CYS 2 12.801 -1.870 1.656 10 H CYS 3 HN CYS 3 10.653 -1.526 1.397 11 HA CYS 3 HA CYS 3 8.652 -2.844 3.098 12 HB2 CYS 3 HB3 CYS 3 8.340 -0.057 2.016 13 HB3 CYS 3 HB2 CYS 3 7.986 -0.666 3.628 14 HA PRO 4 HA PRO 4 5.581 -3.327 -0.033 15 HB2 PRO 4 HB3 PRO 4 3.276 -2.706 1.300 16 HB3 PRO 4 HB2 PRO 4 4.197 -4.192 1.617 17 HG2 PRO 4 HG2 PRO 4 4.015 -1.709 3.208 18 HG3 PRO 4 HG3 PRO 4 4.296 -3.374 3.734 19 HD2 PRO 4 HD2 PRO 4 6.237 -1.378 3.470 20 HD3 PRO 4 HD3 PRO 4 6.541 -3.121 3.644 21 H ALA 5 HN ALA 5 5.940 -0.305 1.590 22 HA ALA 5 HA ALA 5 4.190 1.518 0.576 23 HB1 ALA 5 HB1 ALA 5 5.800 2.688 1.637 24 HB2 ALA 5 HB2 ALA 5 6.679 2.679 0.109 25 HB3 ALA 5 HB3 ALA 5 7.002 1.436 1.317 26 HA PRO 6 HA PRO 6 7.185 -0.248 -0.176 27 HB2 PRO 6 HB3 PRO 6 9.267 -0.623 -1.870 28 HB3 PRO 6 HB2 PRO 6 7.823 -1.655 -1.875 29 HG2 PRO 6 HG2 PRO 6 8.684 0.349 -3.823 30 HG3 PRO 6 HG3 PRO 6 7.545 -0.993 -4.008 31 HD2 PRO 6 HD2 PRO 6 6.960 1.785 -3.603 32 HD3 PRO 6 HD3 PRO 6 5.820 0.438 -3.808 33 H LEU 7 HN LEU 7 9.469 0.145 0.576 34 HA LEU 7 HA LEU 7 10.478 2.894 -0.030 35 HB2 LEU 7 HB3 LEU 7 9.077 2.019 2.297 36 HB3 LEU 7 HB2 LEU 7 10.758 2.290 2.763 37 HG LEU 7 HG LEU 7 10.705 4.544 1.893 38 HD11 LEU 7 1HD1 LEU 7 8.385 5.340 1.012 39 HD12 LEU 7 2HD1 LEU 7 8.076 3.626 0.754 40 HD13 LEU 7 3HD1 LEU 7 9.418 4.411 -0.073 41 HD21 LEU 7 1HD2 LEU 7 9.615 4.003 4.153 42 HD22 LEU 7 2HD2 LEU 7 8.066 4.156 3.324 43 HD23 LEU 7 3HD2 LEU 7 9.156 5.539 3.418 44 H THR 8 HN THR 8 12.480 2.664 2.107 45 HA THR 8 HA THR 8 14.452 1.056 0.683 46 HB THR 8 HB THR 8 14.895 3.220 1.844 47 HG1 THR 8 HG1 THR 8 16.771 2.432 2.974 48 HG21 THR 8 1HG2 THR 8 13.350 2.768 3.762 49 HG22 THR 8 2HG2 THR 8 14.949 3.314 4.269 50 HG23 THR 8 3HG2 THR 8 14.523 1.607 4.380 51 H CYS 9 HN CYS 9 15.588 -0.795 1.621 52 HA CYS 9 HA CYS 9 13.863 -2.712 2.910 53 HB2 CYS 9 HB3 CYS 9 16.732 -2.491 2.072 54 HB3 CYS 9 HB2 CYS 9 16.262 -3.837 3.120 55 H HIS 10 HN HIS 10 15.459 -0.072 4.215 56 HA HIS 10 HA HIS 10 16.089 -1.333 6.814 57 HB2 HIS 10 HB3 HIS 10 16.643 1.134 5.333 58 HB3 HIS 10 HB2 HIS 10 16.211 1.457 7.015 59 HD1 HIS 10 HD1 HIS 10 17.603 -0.068 8.826 60 HD2 HIS 10 HD2 HIS 10 19.257 0.282 5.014 61 HE1 HIS 10 HE1 HIS 10 20.034 -0.744 9.035 62 H CYS 11 HN CYS 11 13.518 0.244 5.152 63 HA CYS 11 HA CYS 11 12.038 0.962 7.612 64 HB2 CYS 11 HB3 CYS 11 11.351 2.556 6.142 65 HB3 CYS 11 HB2 CYS 11 12.179 1.732 4.824 66 H VAL 12 HN VAL 12 11.938 -1.252 4.870 67 HA VAL 12 HA VAL 12 10.180 -2.871 4.385 68 HB VAL 12 HB VAL 12 12.440 -3.473 6.146 69 HG11 VAL 12 1HG1 VAL 12 11.501 -5.951 6.302 70 HG12 VAL 12 2HG1 VAL 12 9.940 -5.131 6.311 71 HG13 VAL 12 3HG1 VAL 12 11.127 -4.780 7.567 72 HG21 VAL 12 1HG2 VAL 12 11.154 -4.584 3.665 73 HG22 VAL 12 2HG2 VAL 12 12.448 -5.468 4.475 74 HG23 VAL 12 3HG2 VAL 12 12.743 -3.844 3.857 75 H ILE 13 HN ILE 13 8.131 -2.041 5.010 76 HA ILE 13 HA ILE 13 7.322 -2.473 7.854 77 HB ILE 13 HB ILE 13 5.940 -1.062 5.547 78 HG12 ILE 13 HG13 ILE 13 7.441 0.179 7.866 79 HG13 ILE 13 HG12 ILE 13 8.205 -0.139 6.308 80 HG21 ILE 13 1HG2 ILE 13 4.608 -0.019 7.353 81 HG22 ILE 13 2HG2 ILE 13 5.466 -0.995 8.544 82 HG23 ILE 13 3HG2 ILE 13 4.419 -1.772 7.356 83 HD11 ILE 13 1HD1 ILE 13 5.593 1.311 6.299 84 HD12 ILE 13 2HD1 ILE 13 6.975 1.482 5.217 85 HD13 ILE 13 3HD1 ILE 13 7.023 2.199 6.828 86 H TYR 14 HN TYR 14 5.157 -3.465 8.218 87 HA TYR 14 HA TYR 14 4.864 -5.946 6.747 88 HB2 TYR 14 HB2 TYR 14 3.803 -4.574 9.118 89 HB3 TYR 14 HB3 TYR 14 2.596 -5.576 8.304 90 HD1 TYR 14 HD1 TYR 14 5.789 -5.559 10.125 91 HD2 TYR 14 HD2 TYR 14 2.924 -7.997 8.049 92 HE1 TYR 14 HE1 TYR 14 6.834 -7.597 11.072 93 HE2 TYR 14 HE2 TYR 14 3.971 -10.035 8.995 94 HH TYR 14 HH TYR 14 6.964 -9.872 10.844 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 13.354 -2.882 -3.645 2 H2 GLY 1 HT2 GLY 1 12.330 -2.614 -4.975 3 H3 GLY 1 HT3 GLY 1 12.213 -4.058 -4.087 4 HA2 GLY 1 HA2 GLY 1 11.759 -1.435 -2.806 5 HA3 GLY 1 HA1 GLY 1 10.462 -2.277 -3.657 6 H CYS 2 HN CYS 2 11.888 -1.921 -0.666 7 HA CYS 2 HA CYS 2 11.440 -4.687 0.262 8 HB2 CYS 2 HB3 CYS 2 12.953 -2.375 1.014 9 HB3 CYS 2 HB2 CYS 2 11.924 -2.833 2.377 10 H CYS 3 HN CYS 3 10.415 -1.630 1.785 11 HA CYS 3 HA CYS 3 8.090 -2.755 3.020 12 HB2 CYS 3 HB3 CYS 3 8.294 0.135 2.144 13 HB3 CYS 3 HB2 CYS 3 7.568 -0.512 3.610 14 HA PRO 4 HA PRO 4 5.167 -2.771 -0.282 15 HB2 PRO 4 HB3 PRO 4 2.878 -1.849 0.911 16 HB3 PRO 4 HB2 PRO 4 3.544 -3.466 1.228 17 HG2 PRO 4 HG2 PRO 4 3.714 -0.994 2.869 18 HG3 PRO 4 HG3 PRO 4 3.541 -2.680 3.379 19 HD2 PRO 4 HD2 PRO 4 5.898 -1.284 3.451 20 HD3 PRO 4 HD3 PRO 4 5.795 -3.056 3.333 21 H ALA 5 HN ALA 5 6.004 0.101 1.365 22 HA ALA 5 HA ALA 5 4.553 2.192 0.337 23 HB1 ALA 5 HB1 ALA 5 7.337 1.672 1.133 24 HB2 ALA 5 HB2 ALA 5 6.245 2.961 1.639 25 HB3 ALA 5 HB3 ALA 5 7.121 3.094 0.115 26 HA PRO 6 HA PRO 6 7.373 0.102 -0.265 27 HB2 PRO 6 HB3 PRO 6 9.490 -0.500 -1.855 28 HB3 PRO 6 HB2 PRO 6 7.941 -1.357 -1.962 29 HG2 PRO 6 HG2 PRO 6 9.135 0.565 -3.815 30 HG3 PRO 6 HG3 PRO 6 7.871 -0.641 -4.095 31 HD2 PRO 6 HD2 PRO 6 7.567 2.177 -3.673 32 HD3 PRO 6 HD3 PRO 6 6.300 0.965 -3.961 33 H LEU 7 HN LEU 7 9.488 0.375 0.816 34 HA LEU 7 HA LEU 7 10.922 2.899 0.100 35 HB2 LEU 7 HB3 LEU 7 9.119 2.492 2.258 36 HB3 LEU 7 HB2 LEU 7 10.739 2.578 2.954 37 HG LEU 7 HG LEU 7 11.165 4.698 1.888 38 HD11 LEU 7 1HD1 LEU 7 10.218 4.604 -0.237 39 HD12 LEU 7 2HD1 LEU 7 9.081 5.673 0.583 40 HD13 LEU 7 3HD1 LEU 7 8.690 3.971 0.364 41 HD21 LEU 7 1HD2 LEU 7 8.898 5.915 2.658 42 HD22 LEU 7 2HD2 LEU 7 10.053 5.273 3.826 43 HD23 LEU 7 3HD2 LEU 7 8.617 4.341 3.403 44 H THR 8 HN THR 8 13.000 3.025 1.509 45 HA THR 8 HA THR 8 14.868 1.127 0.929 46 HB THR 8 HB THR 8 15.196 3.286 2.133 47 HG1 THR 8 HG1 THR 8 16.309 0.883 3.058 48 HG21 THR 8 1HG2 THR 8 14.492 1.775 4.648 49 HG22 THR 8 2HG2 THR 8 13.297 2.736 3.777 50 HG23 THR 8 3HG2 THR 8 14.733 3.510 4.448 51 H CYS 9 HN CYS 9 15.824 -0.690 2.132 52 HA CYS 9 HA CYS 9 13.826 -2.515 3.189 53 HB2 CYS 9 HB3 CYS 9 16.788 -2.486 2.695 54 HB3 CYS 9 HB2 CYS 9 16.089 -3.795 3.653 55 H HIS 10 HN HIS 10 15.341 0.084 4.590 56 HA HIS 10 HA HIS 10 15.779 -1.138 7.247 57 HB2 HIS 10 HB3 HIS 10 16.396 1.343 5.786 58 HB3 HIS 10 HB2 HIS 10 15.943 1.621 7.470 59 HD1 HIS 10 HD1 HIS 10 18.606 2.291 7.610 60 HD2 HIS 10 HD2 HIS 10 17.715 -1.752 7.122 61 HE1 HIS 10 HE1 HIS 10 20.693 1.013 8.263 62 H CYS 11 HN CYS 11 13.291 0.323 5.405 63 HA CYS 11 HA CYS 11 11.711 1.209 7.740 64 HB2 CYS 11 HB3 CYS 11 11.133 2.678 6.103 65 HB3 CYS 11 HB2 CYS 11 11.924 1.693 4.877 66 H VAL 12 HN VAL 12 11.940 -1.381 5.405 67 HA VAL 12 HA VAL 12 10.267 -3.107 4.940 68 HB VAL 12 HB VAL 12 12.391 -3.774 6.092 69 HG11 VAL 12 1HG1 VAL 12 12.639 -3.565 8.325 70 HG12 VAL 12 2HG1 VAL 12 11.102 -4.372 8.635 71 HG13 VAL 12 3HG1 VAL 12 11.139 -2.637 8.319 72 HG21 VAL 12 1HG2 VAL 12 11.475 -5.791 5.647 73 HG22 VAL 12 2HG2 VAL 12 9.854 -5.208 6.024 74 HG23 VAL 12 3HG2 VAL 12 10.899 -5.803 7.314 75 H ILE 13 HN ILE 13 8.149 -1.991 5.221 76 HA ILE 13 HA ILE 13 6.977 -2.109 7.946 77 HB ILE 13 HB ILE 13 6.021 -1.195 5.226 78 HG12 ILE 13 HG13 ILE 13 7.642 0.272 6.299 79 HG13 ILE 13 HG12 ILE 13 6.049 1.025 6.378 80 HG21 ILE 13 1HG2 ILE 13 4.339 -0.251 7.325 81 HG22 ILE 13 2HG2 ILE 13 4.449 -2.005 7.474 82 HG23 ILE 13 3HG2 ILE 13 3.898 -1.280 5.963 83 HD11 ILE 13 1HD1 ILE 13 6.905 1.275 8.567 84 HD12 ILE 13 2HD1 ILE 13 7.586 -0.353 8.577 85 HD13 ILE 13 3HD1 ILE 13 5.840 -0.127 8.684 86 H TYR 14 HN TYR 14 7.488 -4.602 7.637 87 HA TYR 14 HA TYR 14 6.690 -6.792 7.220 88 HB2 TYR 14 HB2 TYR 14 4.770 -5.042 8.519 89 HB3 TYR 14 HB3 TYR 14 3.942 -6.329 7.634 90 HD1 TYR 14 HD1 TYR 14 7.038 -5.962 9.740 91 HD2 TYR 14 HD2 TYR 14 3.530 -8.273 8.838 92 HE1 TYR 14 HE1 TYR 14 7.645 -7.578 11.518 93 HE2 TYR 14 HE2 TYR 14 4.138 -9.889 10.618 94 HH TYR 14 HH TYR 14 7.228 -9.755 12.241 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 12.848 -8.987 -0.003 2 H2 GLY 1 HT2 GLY 1 13.413 -7.846 1.123 3 H3 GLY 1 HT3 GLY 1 13.272 -7.426 -0.517 4 HA2 GLY 1 HA2 GLY 1 10.994 -7.268 -0.450 5 HA3 GLY 1 HA1 GLY 1 10.891 -8.314 0.968 6 H CYS 2 HN CYS 2 11.883 -5.072 -0.102 7 HA CYS 2 HA CYS 2 12.386 -4.040 2.548 8 HB2 CYS 2 HB3 CYS 2 11.524 -2.538 0.059 9 HB3 CYS 2 HB2 CYS 2 12.531 -1.939 1.378 10 H CYS 3 HN CYS 3 10.459 -1.657 1.644 11 HA CYS 3 HA CYS 3 8.200 -2.615 3.311 12 HB2 CYS 3 HB3 CYS 3 8.252 0.118 2.098 13 HB3 CYS 3 HB2 CYS 3 7.811 -0.372 3.730 14 HA PRO 4 HA PRO 4 5.466 -3.126 -0.104 15 HB2 PRO 4 HB3 PRO 4 3.081 -2.369 1.001 16 HB3 PRO 4 HB2 PRO 4 3.897 -3.888 1.428 17 HG2 PRO 4 HG2 PRO 4 3.752 -1.332 2.926 18 HG3 PRO 4 HG3 PRO 4 3.799 -2.995 3.526 19 HD2 PRO 4 HD2 PRO 4 5.954 -1.263 3.490 20 HD3 PRO 4 HD3 PRO 4 6.073 -3.036 3.579 21 H ALA 5 HN ALA 5 5.819 -0.079 1.473 22 HA ALA 5 HA ALA 5 4.250 1.794 0.301 23 HB1 ALA 5 HB1 ALA 5 6.689 2.957 -0.015 24 HB2 ALA 5 HB2 ALA 5 7.107 1.597 1.029 25 HB3 ALA 5 HB3 ALA 5 5.891 2.766 1.545 26 HA PRO 6 HA PRO 6 7.154 -0.184 -0.259 27 HB2 PRO 6 HB3 PRO 6 9.252 -0.795 -1.863 28 HB3 PRO 6 HB2 PRO 6 7.733 -1.714 -1.872 29 HG2 PRO 6 HG2 PRO 6 8.809 0.134 -3.869 30 HG3 PRO 6 HG3 PRO 6 7.580 -1.127 -4.043 31 HD2 PRO 6 HD2 PRO 6 7.189 1.698 -3.782 32 HD3 PRO 6 HD3 PRO 6 5.959 0.428 -3.958 33 H LEU 7 HN LEU 7 9.363 0.121 0.644 34 HA LEU 7 HA LEU 7 10.640 2.724 -0.097 35 HB2 LEU 7 HB3 LEU 7 9.042 2.131 2.192 36 HB3 LEU 7 HB2 LEU 7 10.709 2.312 2.742 37 HG LEU 7 HG LEU 7 10.889 4.489 1.732 38 HD11 LEU 7 1HD1 LEU 7 8.645 5.347 0.629 39 HD12 LEU 7 2HD1 LEU 7 8.358 3.627 0.376 40 HD13 LEU 7 3HD1 LEU 7 9.787 4.391 -0.316 41 HD21 LEU 7 1HD2 LEU 7 9.836 4.645 3.868 42 HD22 LEU 7 2HD2 LEU 7 8.301 4.043 3.239 43 HD23 LEU 7 3HD2 LEU 7 8.863 5.656 2.799 44 H THR 8 HN THR 8 12.815 2.835 1.321 45 HA THR 8 HA THR 8 14.638 0.931 0.479 46 HB THR 8 HB THR 8 14.970 3.119 1.761 47 HG1 THR 8 HG1 THR 8 16.790 2.008 1.401 48 HG21 THR 8 1HG2 THR 8 15.285 1.862 4.326 49 HG22 THR 8 2HG2 THR 8 13.636 1.615 3.758 50 HG23 THR 8 3HG2 THR 8 14.284 3.249 3.895 51 H CYS 9 HN CYS 9 15.636 -0.931 1.605 52 HA CYS 9 HA CYS 9 13.639 -2.694 2.780 53 HB2 CYS 9 HB3 CYS 9 16.336 -2.780 1.674 54 HB3 CYS 9 HB2 CYS 9 16.170 -3.827 3.089 55 H HIS 10 HN HIS 10 15.359 -0.198 4.131 56 HA HIS 10 HA HIS 10 15.968 -1.533 6.706 57 HB2 HIS 10 HB3 HIS 10 17.381 0.261 5.570 58 HB3 HIS 10 HB2 HIS 10 16.083 1.402 5.939 59 HD1 HIS 10 HD1 HIS 10 18.816 -0.593 7.539 60 HD2 HIS 10 HD2 HIS 10 15.786 2.013 8.721 61 HE1 HIS 10 HE1 HIS 10 19.296 0.016 9.950 62 H CYS 11 HN CYS 11 13.419 0.179 5.157 63 HA CYS 11 HA CYS 11 12.121 1.021 7.676 64 HB2 CYS 11 HB3 CYS 11 11.399 2.608 6.227 65 HB3 CYS 11 HB2 CYS 11 12.158 1.748 4.892 66 H VAL 12 HN VAL 12 11.687 -1.280 5.035 67 HA VAL 12 HA VAL 12 9.894 -2.854 4.715 68 HB VAL 12 HB VAL 12 12.078 -3.732 5.758 69 HG11 VAL 12 1HG1 VAL 12 11.256 -2.822 8.083 70 HG12 VAL 12 2HG1 VAL 12 12.127 -4.355 8.010 71 HG13 VAL 12 3HG1 VAL 12 10.368 -4.344 8.153 72 HG21 VAL 12 1HG2 VAL 12 11.028 -5.983 6.171 73 HG22 VAL 12 2HG2 VAL 12 10.515 -5.222 4.664 74 HG23 VAL 12 3HG2 VAL 12 9.448 -5.207 6.069 75 H ILE 13 HN ILE 13 7.835 -1.927 5.093 76 HA ILE 13 HA ILE 13 6.920 -1.617 7.894 77 HB ILE 13 HB ILE 13 5.486 -1.226 5.248 78 HG12 ILE 13 HG13 ILE 13 7.585 0.128 5.505 79 HG13 ILE 13 HG12 ILE 13 6.127 1.119 5.444 80 HG21 ILE 13 1HG2 ILE 13 3.992 0.211 6.558 81 HG22 ILE 13 2HG2 ILE 13 4.926 -0.123 8.016 82 HG23 ILE 13 3HG2 ILE 13 4.015 -1.417 7.238 83 HD11 ILE 13 1HD1 ILE 13 6.509 0.422 8.164 84 HD12 ILE 13 2HD1 ILE 13 6.703 2.013 7.428 85 HD13 ILE 13 3HD1 ILE 13 8.085 0.923 7.552 86 H TYR 14 HN TYR 14 7.236 -4.197 5.867 87 HA TYR 14 HA TYR 14 5.589 -5.943 7.413 88 HB2 TYR 14 HB2 TYR 14 3.841 -4.560 6.231 89 HB3 TYR 14 HB3 TYR 14 4.465 -5.172 4.697 90 HD1 TYR 14 HD1 TYR 14 3.550 -7.126 3.804 91 HD2 TYR 14 HD2 TYR 14 3.264 -6.410 8.031 92 HE1 TYR 14 HE1 TYR 14 2.171 -9.173 4.059 93 HE2 TYR 14 HE2 TYR 14 1.885 -8.456 8.284 94 HH TYR 14 HH TYR 14 0.303 -9.902 5.960 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 10.576 -2.866 -4.179 2 H2 GLY 1 HT2 GLY 1 12.019 -2.193 -4.776 3 H3 GLY 1 HT3 GLY 1 10.583 -1.284 -4.792 4 HA2 GLY 1 HA2 GLY 1 12.477 -1.121 -2.888 5 HA3 GLY 1 HA1 GLY 1 10.792 -0.645 -2.675 6 H CYS 2 HN CYS 2 12.166 -1.508 -0.454 7 HA CYS 2 HA CYS 2 11.662 -4.382 -0.039 8 HB2 CYS 2 HB3 CYS 2 13.344 -2.356 0.987 9 HB3 CYS 2 HB2 CYS 2 12.309 -2.864 2.327 10 H CYS 3 HN CYS 3 10.637 -1.421 1.700 11 HA CYS 3 HA CYS 3 8.548 -2.668 3.206 12 HB2 CYS 3 HB3 CYS 3 8.342 0.164 2.171 13 HB3 CYS 3 HB2 CYS 3 7.882 -0.463 3.748 14 HA PRO 4 HA PRO 4 5.349 -3.056 0.186 15 HB2 PRO 4 HB3 PRO 4 3.099 -2.278 1.544 16 HB3 PRO 4 HB2 PRO 4 3.927 -3.817 1.861 17 HG2 PRO 4 HG2 PRO 4 4.009 -1.273 3.392 18 HG3 PRO 4 HG3 PRO 4 4.043 -2.944 3.973 19 HD2 PRO 4 HD2 PRO 4 6.256 -1.326 3.778 20 HD3 PRO 4 HD3 PRO 4 6.309 -3.102 3.762 21 H ALA 5 HN ALA 5 6.121 -0.074 1.647 22 HA ALA 5 HA ALA 5 4.425 1.870 0.691 23 HB1 ALA 5 HB1 ALA 5 7.362 1.610 1.128 24 HB2 ALA 5 HB2 ALA 5 6.195 2.656 1.936 25 HB3 ALA 5 HB3 ALA 5 6.783 3.071 0.326 26 HA PRO 6 HA PRO 6 7.222 -0.177 -0.111 27 HB2 PRO 6 HB3 PRO 6 9.105 -0.934 -1.918 28 HB3 PRO 6 HB2 PRO 6 7.518 -1.722 -1.807 29 HG2 PRO 6 HG2 PRO 6 8.566 0.043 -3.877 30 HG3 PRO 6 HG3 PRO 6 7.182 -1.061 -3.927 31 HD2 PRO 6 HD2 PRO 6 7.194 1.801 -3.541 32 HD3 PRO 6 HD3 PRO 6 5.804 0.709 -3.721 33 H LEU 7 HN LEU 7 9.453 0.027 0.709 34 HA LEU 7 HA LEU 7 10.922 2.445 -0.262 35 HB2 LEU 7 HB3 LEU 7 9.328 2.211 2.102 36 HB3 LEU 7 HB2 LEU 7 11.022 2.344 2.584 37 HG LEU 7 HG LEU 7 11.298 4.355 1.241 38 HD11 LEU 7 1HD1 LEU 7 9.018 5.291 0.305 39 HD12 LEU 7 2HD1 LEU 7 8.552 3.591 0.308 40 HD13 LEU 7 3HD1 LEU 7 9.942 4.121 -0.637 41 HD21 LEU 7 1HD2 LEU 7 10.573 5.375 3.121 42 HD22 LEU 7 2HD2 LEU 7 9.384 4.106 3.417 43 HD23 LEU 7 3HD2 LEU 7 8.981 5.467 2.367 44 H THR 8 HN THR 8 12.952 2.500 1.556 45 HA THR 8 HA THR 8 14.757 0.496 0.754 46 HB THR 8 HB THR 8 15.333 2.660 1.786 47 HG1 THR 8 HG1 THR 8 17.070 1.591 2.220 48 HG21 THR 8 1HG2 THR 8 13.389 2.425 3.481 49 HG22 THR 8 2HG2 THR 8 14.880 3.183 4.043 50 HG23 THR 8 3HG2 THR 8 14.538 1.504 4.450 51 H CYS 9 HN CYS 9 15.841 -1.099 2.325 52 HA CYS 9 HA CYS 9 13.819 -2.931 3.391 53 HB2 CYS 9 HB3 CYS 9 16.846 -2.894 3.229 54 HB3 CYS 9 HB2 CYS 9 15.932 -4.257 3.881 55 H HIS 10 HN HIS 10 15.292 -0.203 4.621 56 HA HIS 10 HA HIS 10 15.596 -1.194 7.393 57 HB2 HIS 10 HB3 HIS 10 17.217 0.396 6.563 58 HB3 HIS 10 HB2 HIS 10 15.940 1.470 5.982 59 HD1 HIS 10 HD1 HIS 10 17.761 0.440 9.078 60 HD2 HIS 10 HD2 HIS 10 14.596 2.947 8.039 61 HE1 HIS 10 HE1 HIS 10 17.289 1.876 11.110 62 H CYS 11 HN CYS 11 13.343 0.503 5.351 63 HA CYS 11 HA CYS 11 11.659 1.388 7.609 64 HB2 CYS 11 HB3 CYS 11 11.260 2.997 6.058 65 HB3 CYS 11 HB2 CYS 11 12.185 2.097 4.863 66 H VAL 12 HN VAL 12 12.094 -1.329 5.603 67 HA VAL 12 HA VAL 12 9.989 -2.608 4.751 68 HB VAL 12 HB VAL 12 12.187 -3.340 6.514 69 HG11 VAL 12 1HG1 VAL 12 11.125 -5.700 6.894 70 HG12 VAL 12 2HG1 VAL 12 9.589 -4.842 6.778 71 HG13 VAL 12 3HG1 VAL 12 10.749 -4.409 8.034 72 HG21 VAL 12 1HG2 VAL 12 10.747 -4.480 4.133 73 HG22 VAL 12 2HG2 VAL 12 11.996 -5.413 4.957 74 HG23 VAL 12 3HG2 VAL 12 12.392 -3.852 4.236 75 H ILE 13 HN ILE 13 7.922 -1.890 5.251 76 HA ILE 13 HA ILE 13 7.039 -1.779 8.074 77 HB ILE 13 HB ILE 13 5.468 -1.383 5.514 78 HG12 ILE 13 HG13 ILE 13 7.050 0.672 7.091 79 HG13 ILE 13 HG12 ILE 13 7.558 -0.008 5.545 80 HG21 ILE 13 1HG2 ILE 13 5.110 -0.659 8.412 81 HG22 ILE 13 2HG2 ILE 13 3.952 -1.390 7.302 82 HG23 ILE 13 3HG2 ILE 13 4.353 0.321 7.157 83 HD11 ILE 13 1HD1 ILE 13 5.388 0.806 4.560 84 HD12 ILE 13 2HD1 ILE 13 6.461 2.099 5.098 85 HD13 ILE 13 3HD1 ILE 13 5.073 1.637 6.083 86 H TYR 14 HN TYR 14 7.326 -4.213 5.798 87 HA TYR 14 HA TYR 14 4.901 -5.642 5.845 88 HB2 TYR 14 HB2 TYR 14 7.546 -5.985 5.016 89 HB3 TYR 14 HB3 TYR 14 7.275 -7.315 6.147 90 HD1 TYR 14 HD1 TYR 14 6.029 -9.202 5.502 91 HD2 TYR 14 HD2 TYR 14 5.780 -5.599 3.180 92 HE1 TYR 14 HE1 TYR 14 4.706 -10.403 3.783 93 HE2 TYR 14 HE2 TYR 14 4.456 -6.798 1.460 94 HH TYR 14 HH TYR 14 3.974 -10.282 1.614 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 11.818 -3.196 -3.943 2 H2 GLY 1 HT2 GLY 1 12.050 -4.879 -3.935 3 H3 GLY 1 HT3 GLY 1 12.386 -3.965 -2.543 4 HA2 GLY 1 HA2 GLY 1 9.797 -3.338 -3.057 5 HA3 GLY 1 HA1 GLY 1 9.898 -5.052 -3.461 6 H CYS 2 HN CYS 2 11.458 -3.022 -0.949 7 HA CYS 2 HA CYS 2 11.243 -5.153 1.018 8 HB2 CYS 2 HB3 CYS 2 11.899 -2.214 1.370 9 HB3 CYS 2 HB2 CYS 2 12.372 -3.545 2.429 10 H CYS 3 HN CYS 3 10.170 -1.827 1.697 11 HA CYS 3 HA CYS 3 7.944 -2.756 3.309 12 HB2 CYS 3 HB3 CYS 3 8.060 -0.001 2.089 13 HB3 CYS 3 HB2 CYS 3 7.563 -0.472 3.710 14 HA PRO 4 HA PRO 4 4.802 -2.938 0.213 15 HB2 PRO 4 HB3 PRO 4 2.664 -1.616 1.287 16 HB3 PRO 4 HB2 PRO 4 3.226 -3.190 1.888 17 HG2 PRO 4 HG2 PRO 4 3.563 -0.497 3.049 18 HG3 PRO 4 HG3 PRO 4 3.457 -2.070 3.850 19 HD2 PRO 4 HD2 PRO 4 5.791 -0.605 3.384 20 HD3 PRO 4 HD3 PRO 4 5.705 -2.318 3.857 21 H ALA 5 HN ALA 5 6.155 0.029 1.021 22 HA ALA 5 HA ALA 5 4.614 1.926 -0.430 23 HB1 ALA 5 HB1 ALA 5 7.193 2.810 -0.588 24 HB2 ALA 5 HB2 ALA 5 7.311 1.636 0.723 25 HB3 ALA 5 HB3 ALA 5 6.176 2.981 0.841 26 HA PRO 6 HA PRO 6 7.471 -0.191 -0.283 27 HB2 PRO 6 HB3 PRO 6 9.735 -1.086 -1.481 28 HB3 PRO 6 HB2 PRO 6 8.202 -1.977 -1.540 29 HG2 PRO 6 HG2 PRO 6 9.584 -0.510 -3.658 30 HG3 PRO 6 HG3 PRO 6 8.327 -1.751 -3.777 31 HD2 PRO 6 HD2 PRO 6 8.043 1.098 -4.010 32 HD3 PRO 6 HD3 PRO 6 6.793 -0.154 -4.175 33 H LEU 7 HN LEU 7 9.430 0.313 0.905 34 HA LEU 7 HA LEU 7 10.762 2.853 0.018 35 HB2 LEU 7 HB3 LEU 7 9.255 2.044 2.366 36 HB3 LEU 7 HB2 LEU 7 10.878 2.568 2.819 37 HG LEU 7 HG LEU 7 10.564 4.683 1.630 38 HD11 LEU 7 1HD1 LEU 7 8.815 5.109 0.203 39 HD12 LEU 7 2HD1 LEU 7 7.683 4.127 1.134 40 HD13 LEU 7 3HD1 LEU 7 8.838 3.356 0.050 41 HD21 LEU 7 1HD2 LEU 7 9.536 4.142 4.009 42 HD22 LEU 7 2HD2 LEU 7 8.003 4.353 3.162 43 HD23 LEU 7 3HD2 LEU 7 9.172 5.674 3.215 44 H THR 8 HN THR 8 12.906 3.028 1.541 45 HA THR 8 HA THR 8 14.830 1.215 0.700 46 HB THR 8 HB THR 8 15.215 3.326 1.947 47 HG1 THR 8 HG1 THR 8 16.406 1.472 3.616 48 HG21 THR 8 1HG2 THR 8 13.716 1.820 4.000 49 HG22 THR 8 2HG2 THR 8 13.828 3.560 3.736 50 HG23 THR 8 3HG2 THR 8 15.112 2.715 4.602 51 H CYS 9 HN CYS 9 15.814 -0.685 1.771 52 HA CYS 9 HA CYS 9 13.821 -2.491 2.858 53 HB2 CYS 9 HB3 CYS 9 16.458 -2.556 1.736 54 HB3 CYS 9 HB2 CYS 9 16.462 -3.468 3.252 55 H HIS 10 HN HIS 10 15.430 0.012 4.299 56 HA HIS 10 HA HIS 10 15.922 -1.327 6.890 57 HB2 HIS 10 HB3 HIS 10 16.990 0.840 5.520 58 HB3 HIS 10 HB2 HIS 10 15.970 1.612 6.738 59 HD1 HIS 10 HD1 HIS 10 16.340 0.504 9.274 60 HD2 HIS 10 HD2 HIS 10 19.456 0.127 6.531 61 HE1 HIS 10 HE1 HIS 10 18.416 -0.038 10.619 62 H CYS 11 HN CYS 11 13.362 0.140 5.177 63 HA CYS 11 HA CYS 11 11.922 1.073 7.586 64 HB2 CYS 11 HB3 CYS 11 11.278 2.533 5.966 65 HB3 CYS 11 HB2 CYS 11 11.980 1.520 4.709 66 H VAL 12 HN VAL 12 11.669 -1.342 5.018 67 HA VAL 12 HA VAL 12 10.037 -3.096 4.773 68 HB VAL 12 HB VAL 12 12.259 -3.792 5.745 69 HG11 VAL 12 1HG1 VAL 12 10.877 -4.237 8.359 70 HG12 VAL 12 2HG1 VAL 12 11.501 -2.624 8.018 71 HG13 VAL 12 3HG1 VAL 12 12.592 -4.008 8.023 72 HG21 VAL 12 1HG2 VAL 12 9.992 -5.480 6.814 73 HG22 VAL 12 2HG2 VAL 12 11.545 -6.020 6.176 74 HG23 VAL 12 3HG2 VAL 12 10.328 -5.354 5.087 75 H ILE 13 HN ILE 13 8.011 -1.891 5.261 76 HA ILE 13 HA ILE 13 7.053 -1.991 8.060 77 HB ILE 13 HB ILE 13 5.901 -1.024 5.427 78 HG12 ILE 13 HG13 ILE 13 7.807 0.244 6.463 79 HG13 ILE 13 HG12 ILE 13 6.319 1.183 6.351 80 HG21 ILE 13 1HG2 ILE 13 3.880 -1.084 6.430 81 HG22 ILE 13 2HG2 ILE 13 4.490 0.111 7.575 82 HG23 ILE 13 3HG2 ILE 13 4.596 -1.608 7.954 83 HD11 ILE 13 1HD1 ILE 13 7.819 0.787 8.656 84 HD12 ILE 13 2HD1 ILE 13 6.488 -0.356 8.830 85 HD13 ILE 13 3HD1 ILE 13 6.152 1.360 8.598 86 H TYR 14 HN TYR 14 7.546 -4.556 7.255 87 HA TYR 14 HA TYR 14 6.521 -6.670 7.104 88 HB2 TYR 14 HB2 TYR 14 5.023 -5.082 8.728 89 HB3 TYR 14 HB3 TYR 14 3.826 -5.477 7.490 90 HD1 TYR 14 HD1 TYR 14 5.406 -6.595 10.470 91 HD2 TYR 14 HD2 TYR 14 3.690 -8.006 6.793 92 HE1 TYR 14 HE1 TYR 14 5.110 -8.844 11.473 93 HE2 TYR 14 HE2 TYR 14 3.392 -10.255 7.797 94 HH TYR 14 HH TYR 14 3.528 -10.850 11.044 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 10.024 -3.821 -4.356 2 H2 GLY 1 HT2 GLY 1 9.999 -2.215 -4.912 3 H3 GLY 1 HT3 GLY 1 9.073 -2.663 -3.560 4 HA2 GLY 1 HA2 GLY 1 12.041 -2.718 -3.685 5 HA3 GLY 1 HA1 GLY 1 11.085 -1.446 -2.922 6 H CYS 2 HN CYS 2 11.997 -1.959 -0.840 7 HA CYS 2 HA CYS 2 11.692 -4.636 0.291 8 HB2 CYS 2 HB3 CYS 2 12.313 -1.992 1.634 9 HB3 CYS 2 HB2 CYS 2 12.747 -3.605 2.204 10 H CYS 3 HN CYS 3 10.503 -1.535 1.608 11 HA CYS 3 HA CYS 3 8.332 -2.745 3.070 12 HB2 CYS 3 HB3 CYS 3 8.275 0.095 2.038 13 HB3 CYS 3 HB2 CYS 3 7.732 -0.519 3.595 14 HA PRO 4 HA PRO 4 5.219 -2.893 -0.072 15 HB2 PRO 4 HB3 PRO 4 2.967 -1.992 1.191 16 HB3 PRO 4 HB2 PRO 4 3.718 -3.559 1.564 17 HG2 PRO 4 HG2 PRO 4 3.741 -1.047 3.102 18 HG3 PRO 4 HG3 PRO 4 3.891 -2.719 3.658 19 HD2 PRO 4 HD2 PRO 4 5.972 -0.855 3.335 20 HD3 PRO 4 HD3 PRO 4 6.145 -2.597 3.642 21 H ALA 5 HN ALA 5 6.224 0.064 1.183 22 HA ALA 5 HA ALA 5 4.489 1.981 0.033 23 HB1 ALA 5 HB1 ALA 5 7.249 1.798 1.063 24 HB2 ALA 5 HB2 ALA 5 5.985 2.972 1.433 25 HB3 ALA 5 HB3 ALA 5 6.948 3.145 -0.036 26 HA PRO 6 HA PRO 6 7.484 0.064 -0.202 27 HB2 PRO 6 HB3 PRO 6 9.756 -0.497 -1.573 28 HB3 PRO 6 HB2 PRO 6 8.271 -1.453 -1.742 29 HG2 PRO 6 HG2 PRO 6 9.507 0.410 -3.625 30 HG3 PRO 6 HG3 PRO 6 8.326 -0.875 -3.916 31 HD2 PRO 6 HD2 PRO 6 7.860 1.949 -3.697 32 HD3 PRO 6 HD3 PRO 6 6.683 0.657 -4.019 33 H LEU 7 HN LEU 7 9.653 0.402 0.869 34 HA LEU 7 HA LEU 7 10.824 3.100 0.302 35 HB2 LEU 7 HB3 LEU 7 9.155 2.296 2.473 36 HB3 LEU 7 HB2 LEU 7 10.778 2.557 3.116 37 HG LEU 7 HG LEU 7 10.865 4.781 2.153 38 HD11 LEU 7 1HD1 LEU 7 9.779 4.834 0.135 39 HD12 LEU 7 2HD1 LEU 7 8.452 5.443 1.126 40 HD13 LEU 7 3HD1 LEU 7 8.511 3.740 0.678 41 HD21 LEU 7 1HD2 LEU 7 9.785 5.410 4.034 42 HD22 LEU 7 2HD2 LEU 7 8.811 3.940 4.021 43 HD23 LEU 7 3HD2 LEU 7 8.278 5.357 3.118 44 H THR 8 HN THR 8 12.882 3.282 1.867 45 HA THR 8 HA THR 8 14.919 1.611 1.050 46 HB THR 8 HB THR 8 15.168 3.658 2.404 47 HG1 THR 8 HG1 THR 8 16.366 1.260 3.063 48 HG21 THR 8 1HG2 THR 8 14.291 1.976 4.763 49 HG22 THR 8 2HG2 THR 8 13.220 3.092 3.917 50 HG23 THR 8 3HG2 THR 8 14.648 3.703 4.752 51 H CYS 9 HN CYS 9 15.972 -0.269 2.036 52 HA CYS 9 HA CYS 9 14.103 -2.293 2.932 53 HB2 CYS 9 HB3 CYS 9 16.852 -2.029 2.033 54 HB3 CYS 9 HB2 CYS 9 16.732 -3.157 3.389 55 H HIS 10 HN HIS 10 15.479 0.237 4.597 56 HA HIS 10 HA HIS 10 15.946 -1.241 7.122 57 HB2 HIS 10 HB3 HIS 10 17.242 0.806 6.162 58 HB3 HIS 10 HB2 HIS 10 15.856 1.755 6.712 59 HD1 HIS 10 HD1 HIS 10 15.517 -0.371 9.236 60 HD2 HIS 10 HD2 HIS 10 18.797 2.024 8.291 61 HE1 HIS 10 HE1 HIS 10 16.833 -0.078 11.381 62 H CYS 11 HN CYS 11 13.386 0.247 5.409 63 HA CYS 11 HA CYS 11 11.803 0.895 7.821 64 HB2 CYS 11 HB3 CYS 11 11.134 2.459 6.314 65 HB3 CYS 11 HB2 CYS 11 11.956 1.612 5.009 66 H VAL 12 HN VAL 12 11.754 -1.296 5.048 67 HA VAL 12 HA VAL 12 10.155 -3.027 4.568 68 HB VAL 12 HB VAL 12 12.436 -3.650 5.712 69 HG11 VAL 12 1HG1 VAL 12 11.285 -3.295 8.032 70 HG12 VAL 12 2HG1 VAL 12 12.357 -4.680 7.814 71 HG13 VAL 12 3HG1 VAL 12 10.608 -4.899 7.748 72 HG21 VAL 12 1HG2 VAL 12 10.700 -5.035 4.291 73 HG22 VAL 12 2HG2 VAL 12 10.387 -5.834 5.833 74 HG23 VAL 12 3HG2 VAL 12 12.009 -5.858 5.139 75 H ILE 13 HN ILE 13 8.059 -2.115 5.018 76 HA ILE 13 HA ILE 13 7.034 -2.338 7.789 77 HB ILE 13 HB ILE 13 6.125 -1.198 5.165 78 HG12 ILE 13 HG13 ILE 13 6.345 -0.168 8.006 79 HG13 ILE 13 HG12 ILE 13 7.443 0.190 6.673 80 HG21 ILE 13 1HG2 ILE 13 3.996 -0.611 6.711 81 HG22 ILE 13 2HG2 ILE 13 4.382 -2.205 7.360 82 HG23 ILE 13 3HG2 ILE 13 4.028 -2.013 5.643 83 HD11 ILE 13 1HD1 ILE 13 5.203 1.680 7.386 84 HD12 ILE 13 2HD1 ILE 13 4.663 0.752 5.985 85 HD13 ILE 13 3HD1 ILE 13 6.080 1.794 5.860 86 H TYR 14 HN TYR 14 6.156 -4.208 8.482 87 HA TYR 14 HA TYR 14 5.845 -6.569 7.018 88 HB2 TYR 14 HB2 TYR 14 4.508 -7.293 8.929 89 HB3 TYR 14 HB3 TYR 14 5.803 -6.238 9.506 90 HD1 TYR 14 HD1 TYR 14 2.202 -6.261 8.511 91 HD2 TYR 14 HD2 TYR 14 5.312 -4.246 10.682 92 HE1 TYR 14 HE1 TYR 14 0.519 -4.741 9.510 93 HE2 TYR 14 HE2 TYR 14 3.628 -2.723 11.681 94 HH TYR 14 HH TYR 14 0.784 -3.139 12.075 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 13.572 -2.042 -1.628 2 H2 GLY 1 HT2 GLY 1 13.325 -0.363 -1.531 3 H3 GLY 1 HT3 GLY 1 13.576 -1.102 -3.041 4 HA2 GLY 1 HA2 GLY 1 11.157 -0.536 -1.917 5 HA3 GLY 1 HA1 GLY 1 11.441 -1.627 -3.273 6 H CYS 2 HN CYS 2 12.146 -1.875 0.229 7 HA CYS 2 HA CYS 2 11.196 -4.662 0.201 8 HB2 CYS 2 HB3 CYS 2 12.342 -2.894 2.382 9 HB3 CYS 2 HB2 CYS 2 12.173 -4.650 2.455 10 H CYS 3 HN CYS 3 10.300 -1.559 1.715 11 HA CYS 3 HA CYS 3 8.086 -2.626 3.255 12 HB2 CYS 3 HB3 CYS 3 8.194 0.183 2.139 13 HB3 CYS 3 HB2 CYS 3 7.609 -0.352 3.712 14 HA PRO 4 HA PRO 4 5.002 -2.901 0.113 15 HB2 PRO 4 HB3 PRO 4 2.773 -1.825 1.282 16 HB3 PRO 4 HB2 PRO 4 3.442 -3.402 1.757 17 HG2 PRO 4 HG2 PRO 4 3.683 -0.762 3.097 18 HG3 PRO 4 HG3 PRO 4 3.534 -2.379 3.801 19 HD2 PRO 4 HD2 PRO 4 5.890 -0.983 3.612 20 HD3 PRO 4 HD3 PRO 4 5.782 -2.755 3.726 21 H ALA 5 HN ALA 5 5.906 0.140 1.396 22 HA ALA 5 HA ALA 5 4.393 2.078 0.147 23 HB1 ALA 5 HB1 ALA 5 6.070 2.982 1.396 24 HB2 ALA 5 HB2 ALA 5 6.901 3.055 -0.158 25 HB3 ALA 5 HB3 ALA 5 7.215 1.717 0.950 26 HA PRO 6 HA PRO 6 7.154 -0.164 -0.254 27 HB2 PRO 6 HB3 PRO 6 9.240 -0.985 -1.776 28 HB3 PRO 6 HB2 PRO 6 7.656 -1.781 -1.819 29 HG2 PRO 6 HG2 PRO 6 8.934 -0.062 -3.813 30 HG3 PRO 6 HG3 PRO 6 7.633 -1.247 -4.006 31 HD2 PRO 6 HD2 PRO 6 7.413 1.599 -3.833 32 HD3 PRO 6 HD3 PRO 6 6.109 0.407 -4.004 33 H LEU 7 HN LEU 7 9.349 0.023 0.721 34 HA LEU 7 HA LEU 7 10.770 2.549 -0.053 35 HB2 LEU 7 HB3 LEU 7 9.200 1.960 2.268 36 HB3 LEU 7 HB2 LEU 7 10.885 2.122 2.766 37 HG LEU 7 HG LEU 7 11.053 4.301 1.743 38 HD11 LEU 7 1HD1 LEU 7 9.873 4.431 -0.206 39 HD12 LEU 7 2HD1 LEU 7 8.597 5.064 0.834 40 HD13 LEU 7 3HD1 LEU 7 8.606 3.360 0.386 41 HD21 LEU 7 1HD2 LEU 7 8.381 4.111 3.172 42 HD22 LEU 7 2HD2 LEU 7 9.394 5.548 3.036 43 HD23 LEU 7 3HD2 LEU 7 9.945 4.167 3.985 44 H THR 8 HN THR 8 12.834 2.504 1.671 45 HA THR 8 HA THR 8 14.619 0.513 0.684 46 HB THR 8 HB THR 8 15.255 2.716 1.591 47 HG1 THR 8 HG1 THR 8 16.981 1.975 2.848 48 HG21 THR 8 1HG2 THR 8 15.016 3.276 3.896 49 HG22 THR 8 2HG2 THR 8 14.608 1.618 4.334 50 HG23 THR 8 3HG2 THR 8 13.461 2.595 3.420 51 H CYS 9 HN CYS 9 15.764 -1.133 2.083 52 HA CYS 9 HA CYS 9 13.859 -2.860 3.448 53 HB2 CYS 9 HB3 CYS 9 16.597 -2.896 2.446 54 HB3 CYS 9 HB2 CYS 9 16.471 -3.703 4.014 55 H HIS 10 HN HIS 10 15.384 -0.073 4.429 56 HA HIS 10 HA HIS 10 15.909 -0.915 7.212 57 HB2 HIS 10 HB3 HIS 10 16.230 1.535 5.496 58 HB3 HIS 10 HB2 HIS 10 16.231 1.727 7.253 59 HD1 HIS 10 HD1 HIS 10 18.808 2.172 5.502 60 HD2 HIS 10 HD2 HIS 10 17.877 -1.361 7.508 61 HE1 HIS 10 HE1 HIS 10 20.996 0.945 5.844 62 H CYS 11 HN CYS 11 13.423 0.449 5.219 63 HA CYS 11 HA CYS 11 11.844 1.436 7.521 64 HB2 CYS 11 HB3 CYS 11 11.337 2.893 5.846 65 HB3 CYS 11 HB2 CYS 11 12.053 1.836 4.632 66 H VAL 12 HN VAL 12 12.082 -1.201 5.249 67 HA VAL 12 HA VAL 12 10.251 -2.829 4.790 68 HB VAL 12 HB VAL 12 12.446 -3.196 6.713 69 HG11 VAL 12 1HG1 VAL 12 10.976 -4.387 8.126 70 HG12 VAL 12 2HG1 VAL 12 11.649 -5.645 7.088 71 HG13 VAL 12 3HG1 VAL 12 10.035 -5.009 6.771 72 HG21 VAL 12 1HG2 VAL 12 13.143 -4.783 5.139 73 HG22 VAL 12 2HG2 VAL 12 12.257 -3.624 4.148 74 HG23 VAL 12 3HG2 VAL 12 11.493 -5.139 4.627 75 H ILE 13 HN ILE 13 8.144 -2.072 5.263 76 HA ILE 13 HA ILE 13 7.254 -1.956 8.088 77 HB ILE 13 HB ILE 13 5.905 -1.499 5.412 78 HG12 ILE 13 HG13 ILE 13 6.749 0.474 7.552 79 HG13 ILE 13 HG12 ILE 13 7.722 0.100 6.129 80 HG21 ILE 13 1HG2 ILE 13 4.884 -1.515 8.211 81 HG22 ILE 13 2HG2 ILE 13 4.046 -1.898 6.707 82 HG23 ILE 13 3HG2 ILE 13 4.323 -0.217 7.159 83 HD11 ILE 13 1HD1 ILE 13 5.182 0.603 5.092 84 HD12 ILE 13 2HD1 ILE 13 6.555 1.709 5.056 85 HD13 ILE 13 3HD1 ILE 13 5.371 1.815 6.360 86 H TYR 14 HN TYR 14 7.122 -4.162 5.378 87 HA TYR 14 HA TYR 14 6.201 -6.333 5.204 88 HB2 TYR 14 HB2 TYR 14 7.298 -5.964 7.718 89 HB3 TYR 14 HB3 TYR 14 5.670 -6.539 8.091 90 HD1 TYR 14 HD1 TYR 14 4.852 -8.549 6.506 91 HD2 TYR 14 HD2 TYR 14 8.947 -7.568 7.362 92 HE1 TYR 14 HE1 TYR 14 5.532 -10.858 5.909 93 HE2 TYR 14 HE2 TYR 14 9.625 -9.877 6.763 94 HH TYR 14 HH TYR 14 8.335 -12.227 6.758 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 11.065 -8.364 -0.132 2 H2 GLY 1 HT2 GLY 1 9.865 -7.523 0.728 3 H3 GLY 1 HT3 GLY 1 10.188 -9.151 1.088 4 HA2 GLY 1 HA2 GLY 1 11.513 -8.414 2.697 5 HA3 GLY 1 HA1 GLY 1 12.616 -7.969 1.394 6 H CYS 2 HN CYS 2 12.043 -5.782 0.330 7 HA CYS 2 HA CYS 2 12.262 -3.674 2.188 8 HB2 CYS 2 HB3 CYS 2 11.826 -4.102 -0.667 9 HB3 CYS 2 HB2 CYS 2 11.030 -2.631 -0.100 10 H CYS 3 HN CYS 3 10.295 -1.779 1.595 11 HA CYS 3 HA CYS 3 8.007 -2.850 3.145 12 HB2 CYS 3 HB3 CYS 3 8.059 -0.040 2.121 13 HB3 CYS 3 HB2 CYS 3 7.614 -0.638 3.715 14 HA PRO 4 HA PRO 4 5.250 -3.034 -0.280 15 HB2 PRO 4 HB3 PRO 4 2.940 -1.928 0.669 16 HB3 PRO 4 HB2 PRO 4 3.553 -3.499 1.228 17 HG2 PRO 4 HG2 PRO 4 3.617 -0.863 2.566 18 HG3 PRO 4 HG3 PRO 4 3.517 -2.485 3.263 19 HD2 PRO 4 HD2 PRO 4 5.808 -0.899 3.131 20 HD3 PRO 4 HD3 PRO 4 5.767 -2.648 3.453 21 H ALA 5 HN ALA 5 5.715 0.107 1.172 22 HA ALA 5 HA ALA 5 4.412 1.977 -0.285 23 HB1 ALA 5 HB1 ALA 5 6.940 2.977 -0.399 24 HB2 ALA 5 HB2 ALA 5 7.145 1.682 0.782 25 HB3 ALA 5 HB3 ALA 5 5.957 2.954 1.064 26 HA PRO 6 HA PRO 6 7.294 -0.117 -0.398 27 HB2 PRO 6 HB3 PRO 6 9.551 -0.842 -1.711 28 HB3 PRO 6 HB2 PRO 6 8.029 -1.744 -1.854 29 HG2 PRO 6 HG2 PRO 6 9.361 -0.014 -3.803 30 HG3 PRO 6 HG3 PRO 6 8.150 -1.280 -4.055 31 HD2 PRO 6 HD2 PRO 6 7.756 1.554 -4.000 32 HD3 PRO 6 HD3 PRO 6 6.540 0.282 -4.241 33 H LEU 7 HN LEU 7 9.270 0.305 0.820 34 HA LEU 7 HA LEU 7 10.574 2.914 0.105 35 HB2 LEU 7 HB3 LEU 7 9.002 2.047 2.359 36 HB3 LEU 7 HB2 LEU 7 10.635 2.429 2.905 37 HG LEU 7 HG LEU 7 10.515 4.648 2.010 38 HD11 LEU 7 1HD1 LEU 7 7.903 4.870 0.957 39 HD12 LEU 7 2HD1 LEU 7 8.587 3.405 0.260 40 HD13 LEU 7 3HD1 LEU 7 9.422 4.943 0.062 41 HD21 LEU 7 1HD2 LEU 7 8.404 5.526 3.079 42 HD22 LEU 7 2HD2 LEU 7 9.337 4.452 4.122 43 HD23 LEU 7 3HD2 LEU 7 7.890 3.855 3.310 44 H THR 8 HN THR 8 12.730 3.041 1.535 45 HA THR 8 HA THR 8 14.639 1.247 0.654 46 HB THR 8 HB THR 8 15.138 3.283 1.909 47 HG1 THR 8 HG1 THR 8 16.409 1.137 2.141 48 HG21 THR 8 1HG2 THR 8 13.139 2.362 3.620 49 HG22 THR 8 2HG2 THR 8 14.145 3.788 3.869 50 HG23 THR 8 3HG2 THR 8 14.614 2.244 4.579 51 H CYS 9 HN CYS 9 15.572 -0.719 1.559 52 HA CYS 9 HA CYS 9 13.609 -2.518 2.709 53 HB2 CYS 9 HB3 CYS 9 16.451 -2.586 1.797 54 HB3 CYS 9 HB2 CYS 9 15.900 -3.894 2.853 55 H HIS 10 HN HIS 10 15.339 -0.093 4.133 56 HA HIS 10 HA HIS 10 15.976 -1.510 6.649 57 HB2 HIS 10 HB3 HIS 10 17.356 0.347 5.568 58 HB3 HIS 10 HB2 HIS 10 16.040 1.453 5.980 59 HD1 HIS 10 HD1 HIS 10 19.141 0.298 7.296 60 HD2 HIS 10 HD2 HIS 10 15.419 1.115 8.986 61 HE1 HIS 10 HE1 HIS 10 19.533 0.610 9.779 62 H CYS 11 HN CYS 11 13.358 0.077 5.127 63 HA CYS 11 HA CYS 11 12.030 0.911 7.632 64 HB2 CYS 11 HB3 CYS 11 11.254 2.421 6.118 65 HB3 CYS 11 HB2 CYS 11 11.969 1.505 4.795 66 H VAL 12 HN VAL 12 11.649 -1.415 4.994 67 HA VAL 12 HA VAL 12 9.987 -3.138 4.755 68 HB VAL 12 HB VAL 12 12.256 -3.863 5.670 69 HG11 VAL 12 1HG1 VAL 12 12.576 -4.235 7.921 70 HG12 VAL 12 2HG1 VAL 12 10.869 -4.565 8.216 71 HG13 VAL 12 3HG1 VAL 12 11.427 -2.902 8.031 72 HG21 VAL 12 1HG2 VAL 12 10.091 -5.304 5.007 73 HG22 VAL 12 2HG2 VAL 12 10.210 -5.771 6.703 74 HG23 VAL 12 3HG2 VAL 12 11.565 -6.058 5.611 75 H ILE 13 HN ILE 13 8.087 -1.711 5.439 76 HA ILE 13 HA ILE 13 7.217 -2.082 8.250 77 HB ILE 13 HB ILE 13 6.931 0.046 6.964 78 HG12 ILE 13 HG13 ILE 13 4.139 -0.421 7.288 79 HG13 ILE 13 HG12 ILE 13 4.978 -1.361 8.523 80 HG21 ILE 13 1HG2 ILE 13 6.346 -1.414 4.849 81 HG22 ILE 13 2HG2 ILE 13 5.629 0.184 5.050 82 HG23 ILE 13 3HG2 ILE 13 4.698 -1.259 5.454 83 HD11 ILE 13 1HD1 ILE 13 4.530 0.897 9.357 84 HD12 ILE 13 2HD1 ILE 13 5.362 1.592 7.965 85 HD13 ILE 13 3HD1 ILE 13 6.266 0.660 9.158 86 H TYR 14 HN TYR 14 7.336 -4.530 7.640 87 HA TYR 14 HA TYR 14 6.190 -6.548 7.268 88 HB2 TYR 14 HB2 TYR 14 3.959 -4.570 7.831 89 HB3 TYR 14 HB3 TYR 14 3.707 -6.318 7.754 90 HD1 TYR 14 HD1 TYR 14 4.997 -3.544 9.727 91 HD2 TYR 14 HD2 TYR 14 4.891 -7.824 9.369 92 HE1 TYR 14 HE1 TYR 14 5.773 -3.760 12.073 93 HE2 TYR 14 HE2 TYR 14 5.666 -8.040 11.717 94 HH TYR 14 HH TYR 14 5.443 -6.255 13.896 Start of MODEL 21 1 H1 GLY 1 HT1 GLY 1 12.768 -3.588 -2.894 2 H2 GLY 1 HT2 GLY 1 13.161 -1.956 -2.638 3 H3 GLY 1 HT3 GLY 1 12.603 -2.470 -4.158 4 HA2 GLY 1 HA2 GLY 1 11.009 -1.287 -2.467 5 HA3 GLY 1 HA1 GLY 1 10.439 -2.591 -3.509 6 H CYS 2 HN CYS 2 12.345 -2.479 -0.475 7 HA CYS 2 HA CYS 2 11.398 -4.926 0.583 8 HB2 CYS 2 HB3 CYS 2 12.882 -2.570 1.405 9 HB3 CYS 2 HB2 CYS 2 11.885 -3.182 2.728 10 H CYS 3 HN CYS 3 10.368 -1.696 1.744 11 HA CYS 3 HA CYS 3 7.973 -2.745 3.007 12 HB2 CYS 3 HB3 CYS 3 8.194 0.121 2.110 13 HB3 CYS 3 HB2 CYS 3 7.568 -0.521 3.624 14 HA PRO 4 HA PRO 4 5.243 -2.687 -0.453 15 HB2 PRO 4 HB3 PRO 4 2.889 -1.839 0.650 16 HB3 PRO 4 HB2 PRO 4 3.578 -3.444 0.973 17 HG2 PRO 4 HG2 PRO 4 3.534 -1.028 2.680 18 HG3 PRO 4 HG3 PRO 4 3.512 -2.737 3.134 19 HD2 PRO 4 HD2 PRO 4 5.728 -1.052 3.238 20 HD3 PRO 4 HD3 PRO 4 5.770 -2.829 3.288 21 H ALA 5 HN ALA 5 5.905 0.185 1.292 22 HA ALA 5 HA ALA 5 4.430 2.228 0.190 23 HB1 ALA 5 HB1 ALA 5 7.245 1.854 1.068 24 HB2 ALA 5 HB2 ALA 5 6.003 2.927 1.707 25 HB3 ALA 5 HB3 ALA 5 6.857 3.355 0.225 26 HA PRO 6 HA PRO 6 7.316 0.179 -0.269 27 HB2 PRO 6 HB3 PRO 6 9.472 -0.466 -1.785 28 HB3 PRO 6 HB2 PRO 6 7.902 -1.275 -1.960 29 HG2 PRO 6 HG2 PRO 6 9.231 0.600 -3.757 30 HG3 PRO 6 HG3 PRO 6 7.901 -0.522 -4.077 31 HD2 PRO 6 HD2 PRO 6 7.778 2.316 -3.584 32 HD3 PRO 6 HD3 PRO 6 6.458 1.205 -4.008 33 H LEU 7 HN LEU 7 9.453 0.315 0.828 34 HA LEU 7 HA LEU 7 10.880 2.905 0.328 35 HB2 LEU 7 HB3 LEU 7 9.187 2.123 2.508 36 HB3 LEU 7 HB2 LEU 7 10.835 2.307 3.113 37 HG LEU 7 HG LEU 7 10.949 4.535 1.983 38 HD11 LEU 7 1HD1 LEU 7 8.123 4.955 1.701 39 HD12 LEU 7 2HD1 LEU 7 8.586 3.537 0.765 40 HD13 LEU 7 3HD1 LEU 7 9.379 5.083 0.469 41 HD21 LEU 7 1HD2 LEU 7 9.227 3.791 4.244 42 HD22 LEU 7 2HD2 LEU 7 8.783 5.336 3.519 43 HD23 LEU 7 3HD2 LEU 7 10.421 5.083 4.124 44 H THR 8 HN THR 8 13.028 2.904 1.566 45 HA THR 8 HA THR 8 14.809 0.954 0.779 46 HB THR 8 HB THR 8 15.355 3.091 1.896 47 HG1 THR 8 HG1 THR 8 17.052 2.276 3.127 48 HG21 THR 8 1HG2 THR 8 15.260 2.604 4.597 49 HG22 THR 8 2HG2 THR 8 13.781 1.820 4.042 50 HG23 THR 8 3HG2 THR 8 14.051 3.531 3.707 51 H CYS 9 HN CYS 9 15.891 -0.796 2.104 52 HA CYS 9 HA CYS 9 13.899 -2.589 3.247 53 HB2 CYS 9 HB3 CYS 9 16.841 -2.601 2.669 54 HB3 CYS 9 HB2 CYS 9 16.169 -3.859 3.712 55 H HIS 10 HN HIS 10 15.386 0.070 4.505 56 HA HIS 10 HA HIS 10 15.878 -1.019 7.212 57 HB2 HIS 10 HB3 HIS 10 17.185 0.824 5.898 58 HB3 HIS 10 HB2 HIS 10 15.842 1.879 6.354 59 HD1 HIS 10 HD1 HIS 10 17.854 3.097 7.773 60 HD2 HIS 10 HD2 HIS 10 16.574 -0.621 9.158 61 HE1 HIS 10 HE1 HIS 10 18.669 2.903 10.164 62 H CYS 11 HN CYS 11 13.345 0.324 5.324 63 HA CYS 11 HA CYS 11 11.801 1.321 7.639 64 HB2 CYS 11 HB3 CYS 11 11.197 2.703 5.938 65 HB3 CYS 11 HB2 CYS 11 11.947 1.644 4.747 66 H VAL 12 HN VAL 12 11.785 -1.258 5.238 67 HA VAL 12 HA VAL 12 10.184 -3.028 4.950 68 HB VAL 12 HB VAL 12 12.361 -3.559 6.231 69 HG11 VAL 12 1HG1 VAL 12 12.295 -3.964 8.518 70 HG12 VAL 12 2HG1 VAL 12 10.549 -4.211 8.528 71 HG13 VAL 12 3HG1 VAL 12 11.207 -2.581 8.397 72 HG21 VAL 12 1HG2 VAL 12 10.475 -5.139 5.230 73 HG22 VAL 12 2HG2 VAL 12 10.219 -5.529 6.931 74 HG23 VAL 12 3HG2 VAL 12 11.796 -5.804 6.191 75 H ILE 13 HN ILE 13 8.031 -2.220 5.101 76 HA ILE 13 HA ILE 13 6.865 -1.847 7.801 77 HB ILE 13 HB ILE 13 5.758 -1.671 4.988 78 HG12 ILE 13 HG13 ILE 13 7.487 0.012 5.608 79 HG13 ILE 13 HG12 ILE 13 5.904 0.746 5.354 80 HG21 ILE 13 1HG2 ILE 13 3.738 -1.744 5.995 81 HG22 ILE 13 2HG2 ILE 13 4.149 -0.180 6.699 82 HG23 ILE 13 3HG2 ILE 13 4.462 -1.662 7.602 83 HD11 ILE 13 1HD1 ILE 13 5.693 0.223 7.979 84 HD12 ILE 13 2HD1 ILE 13 6.405 1.720 7.376 85 HD13 ILE 13 3HD1 ILE 13 7.446 0.388 7.878 86 H TYR 14 HN TYR 14 7.772 -4.518 6.431 87 HA TYR 14 HA TYR 14 5.928 -6.247 7.728 88 HB2 TYR 14 HB2 TYR 14 4.335 -5.451 6.074 89 HB3 TYR 14 HB3 TYR 14 5.484 -5.749 4.765 90 HD1 TYR 14 HD1 TYR 14 6.213 -8.127 4.279 91 HD2 TYR 14 HD2 TYR 14 2.953 -7.192 6.916 92 HE1 TYR 14 HE1 TYR 14 5.393 -10.461 4.094 93 HE2 TYR 14 HE2 TYR 14 2.132 -9.524 6.729 94 HH TYR 14 HH TYR 14 3.201 -11.806 6.185 Start of MODEL 22 1 H1 GLY 1 HT1 GLY 1 11.987 -1.362 -3.370 2 H2 GLY 1 HT2 GLY 1 13.613 -0.961 -3.082 3 H3 GLY 1 HT3 GLY 1 12.450 0.266 -3.252 4 HA2 GLY 1 HA2 GLY 1 13.311 -0.617 -0.898 5 HA3 GLY 1 HA1 GLY 1 11.709 0.077 -1.156 6 H CYS 2 HN CYS 2 12.753 -2.185 0.653 7 HA CYS 2 HA CYS 2 11.403 -4.576 -0.370 8 HB2 CYS 2 HB3 CYS 2 12.704 -3.782 2.241 9 HB3 CYS 2 HB2 CYS 2 11.979 -5.363 1.989 10 H CYS 3 HN CYS 3 10.438 -1.764 1.448 11 HA CYS 3 HA CYS 3 8.252 -3.026 2.911 12 HB2 CYS 3 HB3 CYS 3 8.116 -0.151 2.058 13 HB3 CYS 3 HB2 CYS 3 7.733 -0.867 3.617 14 HA PRO 4 HA PRO 4 5.222 -3.131 -0.284 15 HB2 PRO 4 HB3 PRO 4 2.942 -2.310 0.985 16 HB3 PRO 4 HB2 PRO 4 3.697 -3.889 1.292 17 HG2 PRO 4 HG2 PRO 4 3.757 -1.414 2.921 18 HG3 PRO 4 HG3 PRO 4 3.765 -3.106 3.433 19 HD2 PRO 4 HD2 PRO 4 5.987 -1.455 3.348 20 HD3 PRO 4 HD3 PRO 4 6.034 -3.232 3.370 21 H ALA 5 HN ALA 5 6.019 -0.207 1.270 22 HA ALA 5 HA ALA 5 4.379 1.783 0.279 23 HB1 ALA 5 HB1 ALA 5 6.056 2.640 1.558 24 HB2 ALA 5 HB2 ALA 5 6.855 2.875 0.005 25 HB3 ALA 5 HB3 ALA 5 7.229 1.457 0.982 26 HA PRO 6 HA PRO 6 7.292 -0.137 -0.370 27 HB2 PRO 6 HB3 PRO 6 9.376 -0.682 -2.020 28 HB3 PRO 6 HB2 PRO 6 7.867 -1.613 -2.038 29 HG2 PRO 6 HG2 PRO 6 8.906 0.272 -4.006 30 HG3 PRO 6 HG3 PRO 6 7.648 -0.961 -4.177 31 HD2 PRO 6 HD2 PRO 6 7.335 1.875 -3.797 32 HD3 PRO 6 HD3 PRO 6 6.078 0.647 -4.056 33 H LEU 7 HN LEU 7 9.276 0.300 0.738 34 HA LEU 7 HA LEU 7 10.632 2.865 -0.015 35 HB2 LEU 7 HB3 LEU 7 9.002 2.195 2.250 36 HB3 LEU 7 HB2 LEU 7 10.655 2.459 2.807 37 HG LEU 7 HG LEU 7 10.730 4.651 1.842 38 HD11 LEU 7 1HD1 LEU 7 9.721 4.773 -0.193 39 HD12 LEU 7 2HD1 LEU 7 8.287 5.230 0.727 40 HD13 LEU 7 3HD1 LEU 7 8.522 3.556 0.232 41 HD21 LEU 7 1HD2 LEU 7 8.119 5.283 2.682 42 HD22 LEU 7 2HD2 LEU 7 9.580 5.321 3.669 43 HD23 LEU 7 3HD2 LEU 7 8.578 3.869 3.633 44 H THR 8 HN THR 8 12.819 2.999 1.187 45 HA THR 8 HA THR 8 14.668 1.123 0.483 46 HB THR 8 HB THR 8 15.015 3.293 1.707 47 HG1 THR 8 HG1 THR 8 16.923 2.615 2.377 48 HG21 THR 8 1HG2 THR 8 15.079 3.031 4.253 49 HG22 THR 8 2HG2 THR 8 14.137 1.558 4.020 50 HG23 THR 8 3HG2 THR 8 13.477 3.115 3.518 51 H CYS 9 HN CYS 9 15.674 -0.739 1.566 52 HA CYS 9 HA CYS 9 13.721 -2.503 2.796 53 HB2 CYS 9 HB3 CYS 9 16.687 -2.703 2.224 54 HB3 CYS 9 HB2 CYS 9 15.700 -4.053 2.798 55 H HIS 10 HN HIS 10 15.339 0.008 4.103 56 HA HIS 10 HA HIS 10 16.079 -1.282 6.666 57 HB2 HIS 10 HB3 HIS 10 17.052 0.833 5.246 58 HB3 HIS 10 HB2 HIS 10 15.940 1.676 6.328 59 HD1 HIS 10 HD1 HIS 10 16.629 -0.876 8.461 60 HD2 HIS 10 HD2 HIS 10 19.121 2.106 6.949 61 HE1 HIS 10 HE1 HIS 10 18.573 -0.677 10.075 62 H CYS 11 HN CYS 11 13.404 0.124 5.078 63 HA CYS 11 HA CYS 11 11.992 0.951 7.534 64 HB2 CYS 11 HB3 CYS 11 11.220 2.407 5.972 65 HB3 CYS 11 HB2 CYS 11 11.997 1.488 4.686 66 H VAL 12 HN VAL 12 11.748 -1.412 4.917 67 HA VAL 12 HA VAL 12 10.137 -3.156 4.633 68 HB VAL 12 HB VAL 12 12.460 -3.645 5.902 69 HG11 VAL 12 1HG1 VAL 12 11.253 -3.428 8.149 70 HG12 VAL 12 2HG1 VAL 12 12.196 -4.898 7.909 71 HG13 VAL 12 3HG1 VAL 12 10.441 -4.939 7.741 72 HG21 VAL 12 1HG2 VAL 12 12.176 -5.823 5.177 73 HG22 VAL 12 2HG2 VAL 12 10.868 -5.032 4.298 74 HG23 VAL 12 3HG2 VAL 12 10.522 -5.921 5.782 75 H ILE 13 HN ILE 13 8.073 -2.149 5.057 76 HA ILE 13 HA ILE 13 7.087 -2.128 7.854 77 HB ILE 13 HB ILE 13 5.994 -1.302 5.157 78 HG12 ILE 13 HG13 ILE 13 7.738 0.096 6.360 79 HG13 ILE 13 HG12 ILE 13 6.220 0.933 6.032 80 HG21 ILE 13 1HG2 ILE 13 4.391 -0.305 7.297 81 HG22 ILE 13 2HG2 ILE 13 4.511 -2.055 7.484 82 HG23 ILE 13 3HG2 ILE 13 3.903 -1.368 5.978 83 HD11 ILE 13 1HD1 ILE 13 6.457 -0.537 8.620 84 HD12 ILE 13 2HD1 ILE 13 5.588 0.952 8.250 85 HD13 ILE 13 3HD1 ILE 13 7.340 0.982 8.456 86 H TYR 14 HN TYR 14 5.841 -3.764 8.707 87 HA TYR 14 HA TYR 14 5.569 -6.311 7.668 88 HB2 TYR 14 HB2 TYR 14 3.542 -4.770 9.328 89 HB3 TYR 14 HB3 TYR 14 3.687 -6.529 9.254 90 HD1 TYR 14 HD1 TYR 14 6.574 -6.962 9.269 91 HD2 TYR 14 HD2 TYR 14 4.222 -4.135 11.488 92 HE1 TYR 14 HE1 TYR 14 8.316 -6.897 11.031 93 HE2 TYR 14 HE2 TYR 14 5.965 -4.071 13.251 94 HH TYR 14 HH TYR 14 9.029 -5.815 12.872 Start of MODEL 23 1 H1 GLY 1 HT1 GLY 1 13.111 -2.126 -3.647 2 H2 GLY 1 HT2 GLY 1 13.296 -1.200 -2.234 3 H3 GLY 1 HT3 GLY 1 12.920 -0.441 -3.706 4 HA2 GLY 1 HA2 GLY 1 10.923 -0.509 -2.468 5 HA3 GLY 1 HA1 GLY 1 10.796 -1.725 -3.740 6 H CYS 2 HN CYS 2 12.238 -1.566 -0.458 7 HA CYS 2 HA CYS 2 11.632 -4.382 0.037 8 HB2 CYS 2 HB3 CYS 2 12.666 -2.086 1.723 9 HB3 CYS 2 HB2 CYS 2 12.568 -3.753 2.291 10 H CYS 3 HN CYS 3 10.680 -1.432 1.822 11 HA CYS 3 HA CYS 3 8.573 -2.577 3.333 12 HB2 CYS 3 HB3 CYS 3 8.394 0.216 2.174 13 HB3 CYS 3 HB2 CYS 3 7.908 -0.337 3.771 14 HA PRO 4 HA PRO 4 5.341 -3.107 0.371 15 HB2 PRO 4 HB3 PRO 4 3.104 -2.218 1.677 16 HB3 PRO 4 HB2 PRO 4 3.927 -3.735 2.103 17 HG2 PRO 4 HG2 PRO 4 4.005 -1.095 3.453 18 HG3 PRO 4 HG3 PRO 4 4.073 -2.723 4.143 19 HD2 PRO 4 HD2 PRO 4 6.249 -1.065 3.784 20 HD3 PRO 4 HD3 PRO 4 6.337 -2.833 3.957 21 H ALA 5 HN ALA 5 6.116 -0.025 1.603 22 HA ALA 5 HA ALA 5 4.413 1.833 0.479 23 HB1 ALA 5 HB1 ALA 5 6.797 2.996 0.064 24 HB2 ALA 5 HB2 ALA 5 7.322 1.626 1.044 25 HB3 ALA 5 HB3 ALA 5 6.130 2.760 1.679 26 HA PRO 6 HA PRO 6 7.236 -0.265 -0.110 27 HB2 PRO 6 HB3 PRO 6 9.200 -1.083 -1.791 28 HB3 PRO 6 HB2 PRO 6 7.620 -1.887 -1.707 29 HG2 PRO 6 HG2 PRO 6 8.733 -0.199 -3.814 30 HG3 PRO 6 HG3 PRO 6 7.392 -1.353 -3.878 31 HD2 PRO 6 HD2 PRO 6 7.276 1.514 -3.665 32 HD3 PRO 6 HD3 PRO 6 5.933 0.359 -3.804 33 H LEU 7 HN LEU 7 9.463 -0.001 0.735 34 HA LEU 7 HA LEU 7 10.846 2.470 -0.244 35 HB2 LEU 7 HB3 LEU 7 9.330 2.085 2.154 36 HB3 LEU 7 HB2 LEU 7 11.027 2.284 2.596 37 HG LEU 7 HG LEU 7 11.171 4.359 1.355 38 HD11 LEU 7 1HD1 LEU 7 9.879 4.242 -0.542 39 HD12 LEU 7 2HD1 LEU 7 8.747 5.128 0.481 40 HD13 LEU 7 3HD1 LEU 7 8.575 3.387 0.277 41 HD21 LEU 7 1HD2 LEU 7 8.595 4.306 2.961 42 HD22 LEU 7 2HD2 LEU 7 9.579 5.730 2.620 43 HD23 LEU 7 3HD2 LEU 7 10.211 4.449 3.654 44 H THR 8 HN THR 8 12.827 2.439 1.785 45 HA THR 8 HA THR 8 14.679 0.488 0.774 46 HB THR 8 HB THR 8 15.186 2.727 1.783 47 HG1 THR 8 HG1 THR 8 16.747 1.001 1.701 48 HG21 THR 8 1HG2 THR 8 13.625 1.632 3.897 49 HG22 THR 8 2HG2 THR 8 14.318 3.248 3.789 50 HG23 THR 8 3HG2 THR 8 15.241 1.940 4.532 51 H CYS 9 HN CYS 9 15.777 -1.160 2.216 52 HA CYS 9 HA CYS 9 13.816 -2.931 3.438 53 HB2 CYS 9 HB3 CYS 9 16.703 -2.861 2.749 54 HB3 CYS 9 HB2 CYS 9 16.259 -3.951 4.067 55 H HIS 10 HN HIS 10 15.315 -0.179 4.597 56 HA HIS 10 HA HIS 10 15.695 -1.153 7.369 57 HB2 HIS 10 HB3 HIS 10 17.024 0.652 5.941 58 HB3 HIS 10 HB2 HIS 10 15.741 1.728 6.504 59 HD1 HIS 10 HD1 HIS 10 16.621 2.984 8.469 60 HD2 HIS 10 HD2 HIS 10 17.803 -1.013 8.555 61 HE1 HIS 10 HE1 HIS 10 17.889 2.659 10.637 62 H CYS 11 HN CYS 11 13.404 0.557 5.369 63 HA CYS 11 HA CYS 11 11.728 1.370 7.662 64 HB2 CYS 11 HB3 CYS 11 11.295 3.017 6.165 65 HB3 CYS 11 HB2 CYS 11 12.218 2.161 4.934 66 H VAL 12 HN VAL 12 12.152 -1.285 5.571 67 HA VAL 12 HA VAL 12 10.036 -2.560 4.727 68 HB VAL 12 HB VAL 12 12.194 -3.357 6.592 69 HG11 VAL 12 1HG1 VAL 12 10.550 -4.654 7.713 70 HG12 VAL 12 2HG1 VAL 12 11.251 -5.765 6.535 71 HG13 VAL 12 3HG1 VAL 12 9.690 -5.009 6.215 72 HG21 VAL 12 1HG2 VAL 12 11.368 -5.025 4.294 73 HG22 VAL 12 2HG2 VAL 12 12.964 -4.411 4.729 74 HG23 VAL 12 3HG2 VAL 12 11.810 -3.364 3.905 75 H ILE 13 HN ILE 13 7.971 -1.864 5.328 76 HA ILE 13 HA ILE 13 7.177 -1.927 8.185 77 HB ILE 13 HB ILE 13 5.860 -1.158 5.573 78 HG12 ILE 13 HG13 ILE 13 6.717 0.384 8.041 79 HG13 ILE 13 HG12 ILE 13 7.490 0.439 6.456 80 HG21 ILE 13 1HG2 ILE 13 4.659 -0.968 8.347 81 HG22 ILE 13 2HG2 ILE 13 4.204 -2.183 7.152 82 HG23 ILE 13 3HG2 ILE 13 3.902 -0.475 6.832 83 HD11 ILE 13 1HD1 ILE 13 4.761 0.967 5.986 84 HD12 ILE 13 2HD1 ILE 13 6.094 2.120 5.905 85 HD13 ILE 13 3HD1 ILE 13 5.192 1.919 7.408 86 H TYR 14 HN TYR 14 6.984 -3.980 5.383 87 HA TYR 14 HA TYR 14 6.089 -6.160 5.156 88 HB2 TYR 14 HB2 TYR 14 6.861 -5.780 7.805 89 HB3 TYR 14 HB3 TYR 14 5.202 -6.374 7.940 90 HD1 TYR 14 HD1 TYR 14 7.883 -7.816 8.674 91 HD2 TYR 14 HD2 TYR 14 5.307 -7.921 5.238 92 HE1 TYR 14 HE1 TYR 14 8.661 -10.114 8.162 93 HE2 TYR 14 HE2 TYR 14 6.084 -10.218 4.725 94 HH TYR 14 HH TYR 14 7.298 -11.945 5.424 Start of MODEL 24 1 H1 GLY 1 HT1 GLY 1 12.614 -0.944 -4.755 2 H2 GLY 1 HT2 GLY 1 11.691 -2.364 -4.892 3 H3 GLY 1 HT3 GLY 1 13.043 -2.322 -3.863 4 HA2 GLY 1 HA2 GLY 1 11.831 -0.459 -2.640 5 HA3 GLY 1 HA1 GLY 1 10.406 -1.045 -3.503 6 H CYS 2 HN CYS 2 12.206 -1.437 -0.708 7 HA CYS 2 HA CYS 2 11.774 -4.309 -0.326 8 HB2 CYS 2 HB3 CYS 2 12.662 -2.012 1.440 9 HB3 CYS 2 HB2 CYS 2 12.649 -3.698 1.963 10 H CYS 3 HN CYS 3 10.698 -1.538 1.643 11 HA CYS 3 HA CYS 3 8.590 -2.842 3.005 12 HB2 CYS 3 HB3 CYS 3 8.501 0.040 2.050 13 HB3 CYS 3 HB2 CYS 3 7.844 -0.620 3.545 14 HA PRO 4 HA PRO 4 5.411 -3.215 -0.047 15 HB2 PRO 4 HB3 PRO 4 3.145 -2.524 1.329 16 HB3 PRO 4 HB2 PRO 4 4.004 -4.056 1.597 17 HG2 PRO 4 HG2 PRO 4 4.039 -1.558 3.207 18 HG3 PRO 4 HG3 PRO 4 4.096 -3.246 3.736 19 HD2 PRO 4 HD2 PRO 4 6.284 -1.600 3.605 20 HD3 PRO 4 HD3 PRO 4 6.364 -3.373 3.512 21 H ALA 5 HN ALA 5 6.250 -0.270 1.350 22 HA ALA 5 HA ALA 5 4.413 1.638 0.435 23 HB1 ALA 5 HB1 ALA 5 7.255 1.463 1.182 24 HB2 ALA 5 HB2 ALA 5 6.023 2.613 1.705 25 HB3 ALA 5 HB3 ALA 5 6.848 2.844 0.165 26 HA PRO 6 HA PRO 6 7.392 -0.190 -0.231 27 HB2 PRO 6 HB3 PRO 6 9.522 -0.619 -1.857 28 HB3 PRO 6 HB2 PRO 6 8.040 -1.590 -1.945 29 HG2 PRO 6 HG2 PRO 6 9.058 0.423 -3.803 30 HG3 PRO 6 HG3 PRO 6 7.875 -0.866 -4.068 31 HD2 PRO 6 HD2 PRO 6 7.389 1.925 -3.610 32 HD3 PRO 6 HD3 PRO 6 6.204 0.633 -3.902 33 H LEU 7 HN LEU 7 9.666 0.108 0.627 34 HA LEU 7 HA LEU 7 10.862 2.773 0.040 35 HB2 LEU 7 HB3 LEU 7 9.178 2.155 2.254 36 HB3 LEU 7 HB2 LEU 7 10.820 2.341 2.874 37 HG LEU 7 HG LEU 7 11.025 4.518 1.789 38 HD11 LEU 7 1HD1 LEU 7 8.287 3.818 0.716 39 HD12 LEU 7 2HD1 LEU 7 9.735 4.219 -0.204 40 HD13 LEU 7 3HD1 LEU 7 8.904 5.467 0.724 41 HD21 LEU 7 1HD2 LEU 7 9.415 5.753 3.127 42 HD22 LEU 7 2HD2 LEU 7 9.929 4.339 4.048 43 HD23 LEU 7 3HD2 LEU 7 8.363 4.341 3.236 44 H THR 8 HN THR 8 12.871 2.866 1.816 45 HA THR 8 HA THR 8 14.837 1.075 0.940 46 HB THR 8 HB THR 8 15.283 3.146 2.149 47 HG1 THR 8 HG1 THR 8 16.841 1.510 2.341 48 HG21 THR 8 1HG2 THR 8 14.755 3.413 4.499 49 HG22 THR 8 2HG2 THR 8 14.161 1.756 4.594 50 HG23 THR 8 3HG2 THR 8 13.280 2.956 3.649 51 H CYS 9 HN CYS 9 15.880 -0.741 2.094 52 HA CYS 9 HA CYS 9 13.967 -2.696 3.060 53 HB2 CYS 9 HB3 CYS 9 16.778 -2.482 2.282 54 HB3 CYS 9 HB2 CYS 9 16.541 -3.587 3.641 55 H HIS 10 HN HIS 10 15.435 -0.096 4.593 56 HA HIS 10 HA HIS 10 15.764 -1.417 7.222 57 HB2 HIS 10 HB3 HIS 10 17.022 0.634 5.958 58 HB3 HIS 10 HB2 HIS 10 15.825 1.543 6.889 59 HD1 HIS 10 HD1 HIS 10 18.428 2.159 7.958 60 HD2 HIS 10 HD2 HIS 10 16.567 -1.410 9.044 61 HE1 HIS 10 HE1 HIS 10 19.529 1.403 10.109 62 H CYS 11 HN CYS 11 13.383 0.247 5.380 63 HA CYS 11 HA CYS 11 11.775 1.061 7.724 64 HB2 CYS 11 HB3 CYS 11 11.240 2.645 6.192 65 HB3 CYS 11 HB2 CYS 11 12.128 1.770 4.948 66 H VAL 12 HN VAL 12 12.055 -1.537 5.451 67 HA VAL 12 HA VAL 12 10.165 -3.021 4.769 68 HB VAL 12 HB VAL 12 12.287 -3.866 5.917 69 HG11 VAL 12 1HG1 VAL 12 11.169 -3.005 8.209 70 HG12 VAL 12 2HG1 VAL 12 12.318 -4.342 8.163 71 HG13 VAL 12 3HG1 VAL 12 10.586 -4.669 8.223 72 HG21 VAL 12 1HG2 VAL 12 9.855 -5.158 5.212 73 HG22 VAL 12 2HG2 VAL 12 10.450 -5.941 6.676 74 HG23 VAL 12 3HG2 VAL 12 11.476 -5.853 5.245 75 H ILE 13 HN ILE 13 8.107 -1.929 5.092 76 HA ILE 13 HA ILE 13 6.962 -2.009 7.823 77 HB ILE 13 HB ILE 13 6.396 -0.751 5.201 78 HG12 ILE 13 HG13 ILE 13 5.331 0.633 7.450 79 HG13 ILE 13 HG12 ILE 13 6.892 -0.041 7.922 80 HG21 ILE 13 1HG2 ILE 13 4.022 -0.362 5.682 81 HG22 ILE 13 2HG2 ILE 13 4.131 -1.372 7.123 82 HG23 ILE 13 3HG2 ILE 13 4.322 -2.092 5.525 83 HD11 ILE 13 1HD1 ILE 13 6.301 2.137 6.078 84 HD12 ILE 13 2HD1 ILE 13 7.335 0.909 5.350 85 HD13 ILE 13 3HD1 ILE 13 7.828 1.702 6.846 86 H TYR 14 HN TYR 14 6.236 -3.931 8.491 87 HA TYR 14 HA TYR 14 5.794 -6.289 7.190 88 HB2 TYR 14 HB2 TYR 14 5.166 -5.121 9.661 89 HB3 TYR 14 HB3 TYR 14 3.629 -5.766 9.069 90 HD1 TYR 14 HD1 TYR 14 6.337 -6.591 11.030 91 HD2 TYR 14 HD2 TYR 14 4.062 -8.162 7.743 92 HE1 TYR 14 HE1 TYR 14 7.068 -8.886 11.621 93 HE2 TYR 14 HE2 TYR 14 4.794 -10.457 8.333 94 HH TYR 14 HH TYR 14 5.634 -11.560 10.724 Start of MODEL 25 1 H1 GLY 1 HT1 GLY 1 13.221 -1.348 -3.282 2 H2 GLY 1 HT2 GLY 1 12.591 -1.807 -4.792 3 H3 GLY 1 HT3 GLY 1 12.955 -2.986 -3.624 4 HA2 GLY 1 HA2 GLY 1 11.028 -0.888 -2.933 5 HA3 GLY 1 HA1 GLY 1 10.507 -2.201 -3.989 6 H CYS 2 HN CYS 2 12.159 -1.639 -0.866 7 HA CYS 2 HA CYS 2 11.682 -4.367 0.042 8 HB2 CYS 2 HB3 CYS 2 12.514 -1.828 1.478 9 HB3 CYS 2 HB2 CYS 2 12.644 -3.463 2.130 10 H CYS 3 HN CYS 3 10.728 -1.428 1.794 11 HA CYS 3 HA CYS 3 8.553 -2.517 3.198 12 HB2 CYS 3 HB3 CYS 3 8.482 0.283 2.033 13 HB3 CYS 3 HB2 CYS 3 7.880 -0.261 3.594 14 HA PRO 4 HA PRO 4 5.368 -3.048 0.187 15 HB2 PRO 4 HB3 PRO 4 3.127 -2.212 1.521 16 HB3 PRO 4 HB2 PRO 4 3.961 -3.736 1.899 17 HG2 PRO 4 HG2 PRO 4 4.051 -1.124 3.316 18 HG3 PRO 4 HG3 PRO 4 4.083 -2.768 3.971 19 HD2 PRO 4 HD2 PRO 4 6.297 -1.170 3.697 20 HD3 PRO 4 HD3 PRO 4 6.347 -2.946 3.747 21 H ALA 5 HN ALA 5 6.302 -0.030 1.326 22 HA ALA 5 HA ALA 5 4.466 1.821 0.253 23 HB1 ALA 5 HB1 ALA 5 7.316 1.710 1.046 24 HB2 ALA 5 HB2 ALA 5 6.043 2.812 1.571 25 HB3 ALA 5 HB3 ALA 5 6.848 3.069 0.023 26 HA PRO 6 HA PRO 6 7.447 -0.079 -0.202 27 HB2 PRO 6 HB3 PRO 6 9.600 -0.668 -1.744 28 HB3 PRO 6 HB2 PRO 6 8.094 -1.602 -1.811 29 HG2 PRO 6 HG2 PRO 6 9.213 0.255 -3.767 30 HG3 PRO 6 HG3 PRO 6 7.990 -1.008 -3.974 31 HD2 PRO 6 HD2 PRO 6 7.598 1.826 -3.690 32 HD3 PRO 6 HD3 PRO 6 6.377 0.563 -3.955 33 H LEU 7 HN LEU 7 9.687 0.225 0.701 34 HA LEU 7 HA LEU 7 10.937 2.852 0.012 35 HB2 LEU 7 HB3 LEU 7 9.277 2.244 2.267 36 HB3 LEU 7 HB2 LEU 7 10.926 2.491 2.844 37 HG LEU 7 HG LEU 7 11.049 4.651 1.745 38 HD11 LEU 7 1HD1 LEU 7 9.851 4.508 -0.242 39 HD12 LEU 7 2HD1 LEU 7 8.715 5.423 0.750 40 HD13 LEU 7 3HD1 LEU 7 8.491 3.691 0.522 41 HD21 LEU 7 1HD2 LEU 7 9.421 5.859 3.063 42 HD22 LEU 7 2HD2 LEU 7 9.907 4.443 3.996 43 HD23 LEU 7 3HD2 LEU 7 8.364 4.449 3.143 44 H THR 8 HN THR 8 12.991 2.966 1.698 45 HA THR 8 HA THR 8 14.934 1.149 0.909 46 HB THR 8 HB THR 8 15.180 3.257 2.267 47 HG1 THR 8 HG1 THR 8 16.465 1.300 3.756 48 HG21 THR 8 1HG2 THR 8 15.112 2.206 4.873 49 HG22 THR 8 2HG2 THR 8 13.623 1.659 4.104 50 HG23 THR 8 3HG2 THR 8 13.995 3.380 4.175 51 H CYS 9 HN CYS 9 15.992 -0.607 2.331 52 HA CYS 9 HA CYS 9 13.938 -2.556 3.108 53 HB2 CYS 9 HB3 CYS 9 16.785 -2.451 2.416 54 HB3 CYS 9 HB2 CYS 9 16.431 -3.597 3.715 55 H HIS 10 HN HIS 10 15.344 -0.014 4.719 56 HA HIS 10 HA HIS 10 15.633 -1.388 7.330 57 HB2 HIS 10 HB3 HIS 10 16.795 0.800 6.090 58 HB3 HIS 10 HB2 HIS 10 15.656 1.556 7.209 59 HD1 HIS 10 HD1 HIS 10 15.877 -0.787 9.375 60 HD2 HIS 10 HD2 HIS 10 19.073 1.307 7.709 61 HE1 HIS 10 HE1 HIS 10 17.800 -0.998 11.009 62 H CYS 11 HN CYS 11 13.369 0.457 5.474 63 HA CYS 11 HA CYS 11 11.600 1.025 7.776 64 HB2 CYS 11 HB3 CYS 11 11.209 2.793 6.402 65 HB3 CYS 11 HB2 CYS 11 12.145 2.035 5.119 66 H VAL 12 HN VAL 12 12.151 -1.419 5.448 67 HA VAL 12 HA VAL 12 10.075 -2.635 4.431 68 HB VAL 12 HB VAL 12 12.301 -3.540 6.089 69 HG11 VAL 12 1HG1 VAL 12 11.247 -5.975 6.035 70 HG12 VAL 12 2HG1 VAL 12 9.732 -5.087 6.184 71 HG13 VAL 12 3HG1 VAL 12 10.980 -4.915 7.419 72 HG21 VAL 12 1HG2 VAL 12 12.807 -4.087 3.964 73 HG22 VAL 12 2HG2 VAL 12 11.128 -3.916 3.455 74 HG23 VAL 12 3HG2 VAL 12 11.692 -5.442 4.135 75 H ILE 13 HN ILE 13 8.010 -1.958 5.064 76 HA ILE 13 HA ILE 13 7.142 -2.378 7.868 77 HB ILE 13 HB ILE 13 5.640 -1.404 5.416 78 HG12 ILE 13 HG13 ILE 13 7.648 -0.033 5.936 79 HG13 ILE 13 HG12 ILE 13 6.154 0.850 6.251 80 HG21 ILE 13 1HG2 ILE 13 4.371 -0.222 7.391 81 HG22 ILE 13 2HG2 ILE 13 5.054 -1.529 8.357 82 HG23 ILE 13 3HG2 ILE 13 3.997 -1.899 6.994 83 HD11 ILE 13 1HD1 ILE 13 7.841 -0.588 8.319 84 HD12 ILE 13 2HD1 ILE 13 6.313 0.229 8.649 85 HD13 ILE 13 3HD1 ILE 13 7.714 1.159 8.116 86 H TYR 14 HN TYR 14 6.271 -4.291 8.496 87 HA TYR 14 HA TYR 14 4.850 -5.951 6.442 88 HB2 TYR 14 HB2 TYR 14 5.854 -7.903 7.723 89 HB3 TYR 14 HB3 TYR 14 7.032 -6.902 6.863 90 HD1 TYR 14 HD1 TYR 14 8.338 -5.155 8.132 91 HD2 TYR 14 HD2 TYR 14 5.885 -8.080 10.103 92 HE1 TYR 14 HE1 TYR 14 9.511 -4.700 10.268 93 HE2 TYR 14 HE2 TYR 14 7.056 -7.621 12.238 94 HH TYR 14 HH TYR 14 8.358 -5.866 13.282 Start of MODEL 26 1 H1 GLY 1 HT1 GLY 1 12.851 -3.330 -3.380 2 H2 GLY 1 HT2 GLY 1 13.176 -1.693 -3.059 3 H3 GLY 1 HT3 GLY 1 12.584 -2.162 -4.581 4 HA2 GLY 1 HA2 GLY 1 10.992 -1.133 -2.810 5 HA3 GLY 1 HA1 GLY 1 10.454 -2.454 -3.848 6 H CYS 2 HN CYS 2 12.140 -1.945 -0.732 7 HA CYS 2 HA CYS 2 11.446 -4.593 0.253 8 HB2 CYS 2 HB3 CYS 2 13.022 -2.274 0.990 9 HB3 CYS 2 HB2 CYS 2 12.123 -2.885 2.383 10 H CYS 3 HN CYS 3 10.656 -1.532 1.898 11 HA CYS 3 HA CYS 3 8.415 -2.451 3.320 12 HB2 CYS 3 HB3 CYS 3 8.476 0.293 2.027 13 HB3 CYS 3 HB2 CYS 3 7.834 -0.151 3.600 14 HA PRO 4 HA PRO 4 5.280 -2.946 0.264 15 HB2 PRO 4 HB3 PRO 4 3.033 -1.985 1.494 16 HB3 PRO 4 HB2 PRO 4 3.810 -3.513 1.959 17 HG2 PRO 4 HG2 PRO 4 3.876 -0.875 3.298 18 HG3 PRO 4 HG3 PRO 4 3.957 -2.500 3.991 19 HD2 PRO 4 HD2 PRO 4 6.117 -0.789 3.603 20 HD3 PRO 4 HD3 PRO 4 6.222 -2.541 3.892 21 H ALA 5 HN ALA 5 6.189 0.132 1.352 22 HA ALA 5 HA ALA 5 4.465 1.945 0.096 23 HB1 ALA 5 HB1 ALA 5 7.258 1.820 1.012 24 HB2 ALA 5 HB2 ALA 5 6.037 3.059 1.294 25 HB3 ALA 5 HB3 ALA 5 6.948 3.048 -0.215 26 HA PRO 6 HA PRO 6 7.365 -0.149 -0.206 27 HB2 PRO 6 HB3 PRO 6 9.579 -0.776 -1.636 28 HB3 PRO 6 HB2 PRO 6 8.081 -1.721 -1.728 29 HG2 PRO 6 HG2 PRO 6 9.255 0.128 -3.681 30 HG3 PRO 6 HG3 PRO 6 8.127 -1.213 -3.925 31 HD2 PRO 6 HD2 PRO 6 7.524 1.561 -3.842 32 HD3 PRO 6 HD3 PRO 6 6.382 0.207 -3.959 33 H LEU 7 HN LEU 7 9.639 0.149 0.702 34 HA LEU 7 HA LEU 7 10.848 2.794 0.019 35 HB2 LEU 7 HB3 LEU 7 9.168 2.205 2.240 36 HB3 LEU 7 HB2 LEU 7 10.808 2.391 2.867 37 HG LEU 7 HG LEU 7 11.029 4.565 1.835 38 HD11 LEU 7 1HD1 LEU 7 8.500 3.715 0.460 39 HD12 LEU 7 2HD1 LEU 7 9.960 4.409 -0.240 40 HD13 LEU 7 3HD1 LEU 7 8.841 5.430 0.665 41 HD21 LEU 7 1HD2 LEU 7 8.809 5.649 2.785 42 HD22 LEU 7 2HD2 LEU 7 9.973 4.914 3.887 43 HD23 LEU 7 3HD2 LEU 7 8.528 4.024 3.409 44 H THR 8 HN THR 8 12.903 2.947 1.690 45 HA THR 8 HA THR 8 14.878 1.180 0.885 46 HB THR 8 HB THR 8 15.170 3.253 2.226 47 HG1 THR 8 HG1 THR 8 16.776 1.538 2.172 48 HG21 THR 8 1HG2 THR 8 13.559 1.681 4.110 49 HG22 THR 8 2HG2 THR 8 13.777 3.428 4.002 50 HG23 THR 8 3HG2 THR 8 14.964 2.443 4.855 51 H CYS 9 HN CYS 9 15.991 -0.540 2.310 52 HA CYS 9 HA CYS 9 13.971 -2.536 3.086 53 HB2 CYS 9 HB3 CYS 9 16.935 -2.430 2.612 54 HB3 CYS 9 HB2 CYS 9 16.236 -3.826 3.440 55 H HIS 10 HN HIS 10 15.279 -0.001 4.697 56 HA HIS 10 HA HIS 10 15.760 -1.432 7.258 57 HB2 HIS 10 HB3 HIS 10 17.085 0.570 6.148 58 HB3 HIS 10 HB2 HIS 10 15.798 1.548 6.864 59 HD1 HIS 10 HD1 HIS 10 18.885 -0.291 7.701 60 HD2 HIS 10 HD2 HIS 10 15.621 1.263 9.777 61 HE1 HIS 10 HE1 HIS 10 19.550 -0.236 10.145 62 H CYS 11 HN CYS 11 13.383 0.469 5.577 63 HA CYS 11 HA CYS 11 11.802 1.113 7.965 64 HB2 CYS 11 HB3 CYS 11 11.187 2.711 6.477 65 HB3 CYS 11 HB2 CYS 11 12.064 1.880 5.198 66 H VAL 12 HN VAL 12 11.706 -1.127 5.253 67 HA VAL 12 HA VAL 12 9.980 -2.736 4.722 68 HB VAL 12 HB VAL 12 12.153 -3.589 5.714 69 HG11 VAL 12 1HG1 VAL 12 12.394 -3.896 7.942 70 HG12 VAL 12 2HG1 VAL 12 10.782 -4.592 8.103 71 HG13 VAL 12 3HG1 VAL 12 10.991 -2.840 8.110 72 HG21 VAL 12 1HG2 VAL 12 11.241 -5.496 4.934 73 HG22 VAL 12 2HG2 VAL 12 9.615 -4.930 5.320 74 HG23 VAL 12 3HG2 VAL 12 10.571 -5.768 6.542 75 H ILE 13 HN ILE 13 7.897 -1.694 5.200 76 HA ILE 13 HA ILE 13 6.844 -2.073 7.958 77 HB ILE 13 HB ILE 13 5.830 -0.831 5.395 78 HG12 ILE 13 HG13 ILE 13 5.591 0.838 7.671 79 HG13 ILE 13 HG12 ILE 13 7.180 0.073 7.764 80 HG21 ILE 13 1HG2 ILE 13 3.712 -1.213 6.049 81 HG22 ILE 13 2HG2 ILE 13 4.036 -0.228 7.476 82 HG23 ILE 13 3HG2 ILE 13 4.266 -1.976 7.541 83 HD11 ILE 13 1HD1 ILE 13 6.056 1.837 5.618 84 HD12 ILE 13 2HD1 ILE 13 7.309 0.663 5.220 85 HD13 ILE 13 3HD1 ILE 13 7.626 1.919 6.417 86 H TYR 14 HN TYR 14 7.464 -4.443 7.264 87 HA TYR 14 HA TYR 14 6.355 -6.219 5.619 88 HB2 TYR 14 HB2 TYR 14 6.587 -7.812 7.341 89 HB3 TYR 14 HB3 TYR 14 7.629 -6.488 7.869 90 HD1 TYR 14 HD1 TYR 14 6.047 -4.518 9.077 91 HD2 TYR 14 HD2 TYR 14 5.380 -8.762 9.089 92 HE1 TYR 14 HE1 TYR 14 4.724 -4.304 11.163 93 HE2 TYR 14 HE2 TYR 14 4.057 -8.547 11.176 94 HH TYR 14 HH TYR 14 3.102 -7.121 12.605 Start of MODEL 27 1 H1 GLY 1 HT1 GLY 1 10.251 -8.351 -0.385 2 H2 GLY 1 HT2 GLY 1 11.534 -7.478 -1.079 3 H3 GLY 1 HT3 GLY 1 10.306 -6.663 -0.233 4 HA2 GLY 1 HA2 GLY 1 11.233 -8.461 1.591 5 HA3 GLY 1 HA1 GLY 1 12.684 -7.907 0.756 6 H CYS 2 HN CYS 2 11.767 -5.275 0.109 7 HA CYS 2 HA CYS 2 12.306 -3.945 2.636 8 HB2 CYS 2 HB3 CYS 2 11.341 -2.736 0.032 9 HB3 CYS 2 HB2 CYS 2 12.369 -1.988 1.256 10 H CYS 3 HN CYS 3 10.311 -1.739 1.619 11 HA CYS 3 HA CYS 3 8.043 -2.728 3.274 12 HB2 CYS 3 HB3 CYS 3 8.078 0.034 2.151 13 HB3 CYS 3 HB2 CYS 3 7.680 -0.507 3.780 14 HA PRO 4 HA PRO 4 5.295 -2.999 -0.149 15 HB2 PRO 4 HB3 PRO 4 2.969 -1.990 0.871 16 HB3 PRO 4 HB2 PRO 4 3.642 -3.553 1.382 17 HG2 PRO 4 HG2 PRO 4 3.652 -0.945 2.778 18 HG3 PRO 4 HG3 PRO 4 3.612 -2.584 3.441 19 HD2 PRO 4 HD2 PRO 4 5.852 -0.930 3.305 20 HD3 PRO 4 HD3 PRO 4 5.870 -2.687 3.583 21 H ALA 5 HN ALA 5 5.853 0.083 1.317 22 HA ALA 5 HA ALA 5 4.466 2.017 0.022 23 HB1 ALA 5 HB1 ALA 5 7.013 2.958 -0.270 24 HB2 ALA 5 HB2 ALA 5 7.266 1.629 0.863 25 HB3 ALA 5 HB3 ALA 5 6.141 2.927 1.262 26 HA PRO 6 HA PRO 6 7.306 -0.075 -0.351 27 HB2 PRO 6 HB3 PRO 6 9.432 -0.834 -1.853 28 HB3 PRO 6 HB2 PRO 6 7.888 -1.710 -1.858 29 HG2 PRO 6 HG2 PRO 6 9.076 -0.023 -3.929 30 HG3 PRO 6 HG3 PRO 6 7.798 -1.241 -4.060 31 HD2 PRO 6 HD2 PRO 6 7.528 1.617 -3.953 32 HD3 PRO 6 HD3 PRO 6 6.253 0.393 -4.128 33 H LEU 7 HN LEU 7 9.262 0.367 0.777 34 HA LEU 7 HA LEU 7 10.645 2.909 -0.024 35 HB2 LEU 7 HB3 LEU 7 9.153 2.074 2.316 36 HB3 LEU 7 HB2 LEU 7 10.808 2.485 2.766 37 HG LEU 7 HG LEU 7 10.589 4.655 1.626 38 HD11 LEU 7 1HD1 LEU 7 8.747 3.522 0.078 39 HD12 LEU 7 2HD1 LEU 7 8.736 5.259 0.374 40 HD13 LEU 7 3HD1 LEU 7 7.652 4.202 1.279 41 HD21 LEU 7 1HD2 LEU 7 8.592 5.514 3.084 42 HD22 LEU 7 2HD2 LEU 7 10.006 4.844 3.896 43 HD23 LEU 7 3HD2 LEU 7 8.553 3.863 3.702 44 H THR 8 HN THR 8 12.815 2.960 1.462 45 HA THR 8 HA THR 8 14.661 1.104 0.519 46 HB THR 8 HB THR 8 15.160 3.170 1.799 47 HG1 THR 8 HG1 THR 8 16.470 1.008 1.855 48 HG21 THR 8 1HG2 THR 8 13.661 1.665 3.869 49 HG22 THR 8 2HG2 THR 8 13.755 3.404 3.588 50 HG23 THR 8 3HG2 THR 8 15.061 2.576 4.436 51 H CYS 9 HN CYS 9 15.609 -0.836 1.549 52 HA CYS 9 HA CYS 9 13.585 -2.601 2.665 53 HB2 CYS 9 HB3 CYS 9 16.202 -2.717 1.469 54 HB3 CYS 9 HB2 CYS 9 16.190 -3.687 2.947 55 H HIS 10 HN HIS 10 15.304 -0.161 4.087 56 HA HIS 10 HA HIS 10 15.902 -1.547 6.634 57 HB2 HIS 10 HB3 HIS 10 17.416 0.173 5.734 58 HB3 HIS 10 HB2 HIS 10 16.091 1.340 5.696 59 HD1 HIS 10 HD1 HIS 10 18.548 -0.265 7.981 60 HD2 HIS 10 HD2 HIS 10 15.220 2.223 8.312 61 HE1 HIS 10 HE1 HIS 10 18.574 0.656 10.340 62 H CYS 11 HN CYS 11 13.353 0.179 5.101 63 HA CYS 11 HA CYS 11 12.022 0.982 7.611 64 HB2 CYS 11 HB3 CYS 11 11.309 2.559 6.136 65 HB3 CYS 11 HB2 CYS 11 12.038 1.670 4.803 66 H VAL 12 HN VAL 12 11.696 -1.351 4.988 67 HA VAL 12 HA VAL 12 9.981 -3.016 4.657 68 HB VAL 12 HB VAL 12 12.122 -3.879 5.613 69 HG11 VAL 12 1HG1 VAL 12 12.578 -3.706 7.814 70 HG12 VAL 12 2HG1 VAL 12 11.058 -4.493 8.239 71 HG13 VAL 12 3HG1 VAL 12 11.106 -2.750 7.984 72 HG21 VAL 12 1HG2 VAL 12 11.237 -6.054 6.196 73 HG22 VAL 12 2HG2 VAL 12 10.177 -5.358 4.970 74 HG23 VAL 12 3HG2 VAL 12 9.688 -5.353 6.664 75 H ILE 13 HN ILE 13 7.927 -1.963 5.064 76 HA ILE 13 HA ILE 13 6.908 -1.924 7.845 77 HB ILE 13 HB ILE 13 5.839 -1.105 5.133 78 HG12 ILE 13 HG13 ILE 13 7.550 0.372 6.036 79 HG13 ILE 13 HG12 ILE 13 5.983 1.167 6.190 80 HG21 ILE 13 1HG2 ILE 13 4.401 -1.675 7.584 81 HG22 ILE 13 2HG2 ILE 13 3.765 -1.214 6.005 82 HG23 ILE 13 3HG2 ILE 13 4.252 0.031 7.157 83 HD11 ILE 13 1HD1 ILE 13 7.609 -0.187 8.345 84 HD12 ILE 13 2HD1 ILE 13 5.889 0.145 8.550 85 HD13 ILE 13 3HD1 ILE 13 7.021 1.475 8.304 86 H TYR 14 HN TYR 14 7.375 -4.495 7.471 87 HA TYR 14 HA TYR 14 6.409 -6.645 7.313 88 HB2 TYR 14 HB2 TYR 14 4.426 -4.687 8.266 89 HB3 TYR 14 HB3 TYR 14 3.706 -6.157 7.600 90 HD1 TYR 14 HD1 TYR 14 5.632 -8.235 8.246 91 HD2 TYR 14 HD2 TYR 14 4.360 -4.878 10.606 92 HE1 TYR 14 HE1 TYR 14 6.224 -9.466 10.315 93 HE2 TYR 14 HE2 TYR 14 4.950 -6.111 12.675 94 HH TYR 14 HH TYR 14 5.699 -9.473 12.663 Start of MODEL 28 1 H1 GLY 1 HT1 GLY 1 11.701 -1.875 -4.999 2 H2 GLY 1 HT2 GLY 1 12.043 -3.269 -4.090 3 H3 GLY 1 HT3 GLY 1 13.167 -1.996 -4.156 4 HA2 GLY 1 HA2 GLY 1 12.167 -0.837 -2.554 5 HA3 GLY 1 HA1 GLY 1 10.569 -1.182 -3.221 6 H CYS 2 HN CYS 2 12.022 -1.508 -0.438 7 HA CYS 2 HA CYS 2 11.569 -4.385 0.062 8 HB2 CYS 2 HB3 CYS 2 13.114 -2.220 1.126 9 HB3 CYS 2 HB2 CYS 2 12.110 -2.877 2.422 10 H CYS 3 HN CYS 3 10.468 -1.390 1.686 11 HA CYS 3 HA CYS 3 8.270 -2.623 3.062 12 HB2 CYS 3 HB3 CYS 3 8.322 0.260 2.120 13 HB3 CYS 3 HB2 CYS 3 7.668 -0.382 3.625 14 HA PRO 4 HA PRO 4 5.215 -2.851 -0.115 15 HB2 PRO 4 HB3 PRO 4 2.936 -1.817 0.991 16 HB3 PRO 4 HB2 PRO 4 3.617 -3.385 1.477 17 HG2 PRO 4 HG2 PRO 4 3.755 -0.756 2.844 18 HG3 PRO 4 HG3 PRO 4 3.645 -2.383 3.529 19 HD2 PRO 4 HD2 PRO 4 5.954 -0.892 3.389 20 HD3 PRO 4 HD3 PRO 4 5.904 -2.663 3.538 21 H ALA 5 HN ALA 5 5.979 0.218 1.217 22 HA ALA 5 HA ALA 5 4.462 2.098 -0.124 23 HB1 ALA 5 HB1 ALA 5 6.012 3.132 1.162 24 HB2 ALA 5 HB2 ALA 5 6.996 3.113 -0.300 25 HB3 ALA 5 HB3 ALA 5 7.197 1.850 0.916 26 HA PRO 6 HA PRO 6 7.271 -0.127 -0.382 27 HB2 PRO 6 HB3 PRO 6 9.527 -0.789 -1.729 28 HB3 PRO 6 HB2 PRO 6 7.996 -1.661 -1.944 29 HG2 PRO 6 HG2 PRO 6 9.340 0.238 -3.737 30 HG3 PRO 6 HG3 PRO 6 8.193 -1.058 -4.110 31 HD2 PRO 6 HD2 PRO 6 7.654 1.717 -3.941 32 HD3 PRO 6 HD3 PRO 6 6.480 0.400 -4.148 33 H LEU 7 HN LEU 7 9.470 0.079 0.708 34 HA LEU 7 HA LEU 7 10.784 2.703 0.127 35 HB2 LEU 7 HB3 LEU 7 9.017 2.090 2.263 36 HB3 LEU 7 HB2 LEU 7 10.635 2.212 2.957 37 HG LEU 7 HG LEU 7 10.953 4.413 2.030 38 HD11 LEU 7 1HD1 LEU 7 8.529 3.652 0.448 39 HD12 LEU 7 2HD1 LEU 7 10.024 4.400 -0.104 40 HD13 LEU 7 3HD1 LEU 7 8.826 5.356 0.771 41 HD21 LEU 7 1HD2 LEU 7 9.806 4.957 3.925 42 HD22 LEU 7 2HD2 LEU 7 8.516 3.801 3.590 43 HD23 LEU 7 3HD2 LEU 7 8.510 5.382 2.808 44 H THR 8 HN THR 8 12.875 2.862 1.463 45 HA THR 8 HA THR 8 14.799 1.030 0.805 46 HB THR 8 HB THR 8 15.108 3.193 1.985 47 HG1 THR 8 HG1 THR 8 16.790 2.440 3.357 48 HG21 THR 8 1HG2 THR 8 14.980 2.590 4.667 49 HG22 THR 8 2HG2 THR 8 13.576 1.734 4.029 50 HG23 THR 8 3HG2 THR 8 13.741 3.472 3.774 51 H CYS 9 HN CYS 9 15.895 -0.699 2.088 52 HA CYS 9 HA CYS 9 13.969 -2.595 3.195 53 HB2 CYS 9 HB3 CYS 9 16.945 -2.510 2.702 54 HB3 CYS 9 HB2 CYS 9 16.195 -3.878 3.532 55 H HIS 10 HN HIS 10 15.378 0.088 4.504 56 HA HIS 10 HA HIS 10 15.975 -1.067 7.165 57 HB2 HIS 10 HB3 HIS 10 17.386 0.723 6.283 58 HB3 HIS 10 HB2 HIS 10 15.971 1.747 6.013 59 HD1 HIS 10 HD1 HIS 10 17.386 -0.179 9.005 60 HD2 HIS 10 HD2 HIS 10 15.682 3.516 8.100 61 HE1 HIS 10 HE1 HIS 10 17.323 1.130 11.171 62 H CYS 11 HN CYS 11 13.398 0.407 5.390 63 HA CYS 11 HA CYS 11 11.843 1.094 7.810 64 HB2 CYS 11 HB3 CYS 11 11.172 2.650 6.289 65 HB3 CYS 11 HB2 CYS 11 11.956 1.773 4.978 66 H VAL 12 HN VAL 12 12.004 -1.241 5.198 67 HA VAL 12 HA VAL 12 10.380 -2.975 4.678 68 HB VAL 12 HB VAL 12 12.669 -3.350 6.219 69 HG11 VAL 12 1HG1 VAL 12 10.402 -5.003 7.368 70 HG12 VAL 12 2HG1 VAL 12 11.387 -3.829 8.240 71 HG13 VAL 12 3HG1 VAL 12 12.117 -5.318 7.640 72 HG21 VAL 12 1HG2 VAL 12 11.294 -4.572 4.139 73 HG22 VAL 12 2HG2 VAL 12 11.415 -5.841 5.359 74 HG23 VAL 12 3HG2 VAL 12 12.874 -5.053 4.758 75 H ILE 13 HN ILE 13 8.204 -2.579 4.986 76 HA ILE 13 HA ILE 13 7.132 -2.428 7.747 77 HB ILE 13 HB ILE 13 6.453 -1.557 5.074 78 HG12 ILE 13 HG13 ILE 13 4.913 -0.848 7.548 79 HG13 ILE 13 HG12 ILE 13 6.609 -0.380 7.420 80 HG21 ILE 13 1HG2 ILE 13 4.826 -3.336 4.949 81 HG22 ILE 13 2HG2 ILE 13 3.953 -1.851 5.325 82 HG23 ILE 13 3HG2 ILE 13 4.284 -3.025 6.598 83 HD11 ILE 13 1HD1 ILE 13 4.390 0.329 5.480 84 HD12 ILE 13 2HD1 ILE 13 6.096 0.690 5.215 85 HD13 ILE 13 3HD1 ILE 13 5.235 1.435 6.562 86 H TYR 14 HN TYR 14 5.235 -3.844 8.321 87 HA TYR 14 HA TYR 14 5.717 -6.550 8.388 88 HB2 TYR 14 HB2 TYR 14 3.419 -4.755 8.614 89 HB3 TYR 14 HB3 TYR 14 2.948 -6.376 8.090 90 HD1 TYR 14 HD1 TYR 14 3.515 -4.389 10.909 91 HD2 TYR 14 HD2 TYR 14 4.304 -8.329 9.388 92 HE1 TYR 14 HE1 TYR 14 3.807 -5.227 13.227 93 HE2 TYR 14 HE2 TYR 14 4.595 -9.165 11.704 94 HH TYR 14 HH TYR 14 3.512 -7.902 14.265 Start of MODEL 29 1 H1 GLY 1 HT1 GLY 1 11.512 -2.654 -4.984 2 H2 GLY 1 HT2 GLY 1 9.938 -2.752 -4.353 3 H3 GLY 1 HT3 GLY 1 11.040 -4.018 -4.093 4 HA2 GLY 1 HA2 GLY 1 12.452 -2.103 -3.008 5 HA3 GLY 1 HA1 GLY 1 10.847 -1.412 -2.782 6 H CYS 2 HN CYS 2 11.869 -1.926 -0.453 7 HA CYS 2 HA CYS 2 11.410 -4.723 0.380 8 HB2 CYS 2 HB3 CYS 2 12.899 -2.405 1.222 9 HB3 CYS 2 HB2 CYS 2 11.929 -3.006 2.570 10 H CYS 3 HN CYS 3 10.348 -1.621 1.817 11 HA CYS 3 HA CYS 3 8.066 -2.772 3.147 12 HB2 CYS 3 HB3 CYS 3 8.229 0.108 2.239 13 HB3 CYS 3 HB2 CYS 3 7.552 -0.532 3.733 14 HA PRO 4 HA PRO 4 5.078 -2.850 -0.092 15 HB2 PRO 4 HB3 PRO 4 2.811 -1.901 1.116 16 HB3 PRO 4 HB2 PRO 4 3.484 -3.510 1.457 17 HG2 PRO 4 HG2 PRO 4 3.689 -0.998 3.037 18 HG3 PRO 4 HG3 PRO 4 3.509 -2.670 3.589 19 HD2 PRO 4 HD2 PRO 4 5.879 -1.309 3.611 20 HD3 PRO 4 HD3 PRO 4 5.757 -3.078 3.504 21 H ALA 5 HN ALA 5 6.096 0.035 1.335 22 HA ALA 5 HA ALA 5 4.553 2.103 0.297 23 HB1 ALA 5 HB1 ALA 5 7.127 2.999 0.019 24 HB2 ALA 5 HB2 ALA 5 7.345 1.612 1.087 25 HB3 ALA 5 HB3 ALA 5 6.259 2.922 1.552 26 HA PRO 6 HA PRO 6 7.390 0.032 -0.231 27 HB2 PRO 6 HB3 PRO 6 9.499 -0.618 -1.797 28 HB3 PRO 6 HB2 PRO 6 7.962 -1.503 -1.848 29 HG2 PRO 6 HG2 PRO 6 9.123 0.322 -3.815 30 HG3 PRO 6 HG3 PRO 6 7.859 -0.901 -4.016 31 HD2 PRO 6 HD2 PRO 6 7.555 1.940 -3.732 32 HD3 PRO 6 HD3 PRO 6 6.291 0.714 -3.966 33 H LEU 7 HN LEU 7 9.417 0.411 0.868 34 HA LEU 7 HA LEU 7 10.805 2.953 0.083 35 HB2 LEU 7 HB3 LEU 7 9.208 2.287 2.370 36 HB3 LEU 7 HB2 LEU 7 10.870 2.541 2.904 37 HG LEU 7 HG LEU 7 10.910 4.696 1.659 38 HD11 LEU 7 1HD1 LEU 7 7.952 4.155 1.268 39 HD12 LEU 7 2HD1 LEU 7 9.168 4.020 0.000 40 HD13 LEU 7 3HD1 LEU 7 8.835 5.584 0.734 41 HD21 LEU 7 1HD2 LEU 7 10.270 5.582 3.630 42 HD22 LEU 7 2HD2 LEU 7 9.476 4.066 4.052 43 HD23 LEU 7 3HD2 LEU 7 8.579 5.324 3.201 44 H THR 8 HN THR 8 12.868 2.984 1.793 45 HA THR 8 HA THR 8 14.763 1.137 0.850 46 HB THR 8 HB THR 8 15.184 3.267 2.068 47 HG1 THR 8 HG1 THR 8 16.292 0.906 3.172 48 HG21 THR 8 1HG2 THR 8 13.340 2.530 3.822 49 HG22 THR 8 2HG2 THR 8 14.677 3.569 4.311 50 HG23 THR 8 3HG2 THR 8 14.729 1.843 4.663 51 H CYS 9 HN CYS 9 15.847 -0.645 2.110 52 HA CYS 9 HA CYS 9 13.879 -2.518 3.165 53 HB2 CYS 9 HB3 CYS 9 16.822 -2.449 2.597 54 HB3 CYS 9 HB2 CYS 9 16.173 -3.767 3.581 55 H HIS 10 HN HIS 10 15.357 0.094 4.560 56 HA HIS 10 HA HIS 10 15.836 -1.143 7.206 57 HB2 HIS 10 HB3 HIS 10 16.664 1.175 5.738 58 HB3 HIS 10 HB2 HIS 10 15.864 1.728 7.213 59 HD1 HIS 10 HD1 HIS 10 18.508 -0.843 6.212 60 HD2 HIS 10 HD2 HIS 10 17.515 1.622 9.424 61 HE1 HIS 10 HE1 HIS 10 20.349 -1.126 7.928 62 H CYS 11 HN CYS 11 13.315 0.316 5.397 63 HA CYS 11 HA CYS 11 11.767 1.172 7.764 64 HB2 CYS 11 HB3 CYS 11 11.160 2.657 6.152 65 HB3 CYS 11 HB2 CYS 11 11.922 1.680 4.900 66 H VAL 12 HN VAL 12 11.961 -1.406 5.404 67 HA VAL 12 HA VAL 12 10.281 -3.126 4.954 68 HB VAL 12 HB VAL 12 12.444 -3.737 6.148 69 HG11 VAL 12 1HG1 VAL 12 12.522 -4.007 8.433 70 HG12 VAL 12 2HG1 VAL 12 10.805 -4.385 8.554 71 HG13 VAL 12 3HG1 VAL 12 11.326 -2.712 8.359 72 HG21 VAL 12 1HG2 VAL 12 10.129 -5.244 5.569 73 HG22 VAL 12 2HG2 VAL 12 10.690 -5.812 7.142 74 HG23 VAL 12 3HG2 VAL 12 11.774 -5.851 5.753 75 H ILE 13 HN ILE 13 8.241 -1.806 5.328 76 HA ILE 13 HA ILE 13 7.045 -2.076 8.025 77 HB ILE 13 HB ILE 13 6.191 -0.855 5.384 78 HG12 ILE 13 HG13 ILE 13 7.944 0.288 6.762 79 HG13 ILE 13 HG12 ILE 13 6.470 1.242 6.600 80 HG21 ILE 13 1HG2 ILE 13 4.059 -1.068 6.114 81 HG22 ILE 13 2HG2 ILE 13 4.484 0.110 7.355 82 HG23 ILE 13 3HG2 ILE 13 4.582 -1.615 7.708 83 HD11 ILE 13 1HD1 ILE 13 6.262 -0.528 8.877 84 HD12 ILE 13 2HD1 ILE 13 6.153 1.232 8.829 85 HD13 ILE 13 3HD1 ILE 13 7.724 0.450 8.998 86 H TYR 14 HN TYR 14 7.604 -4.554 7.029 87 HA TYR 14 HA TYR 14 6.687 -6.576 6.180 88 HB2 TYR 14 HB2 TYR 14 4.514 -6.949 7.597 89 HB3 TYR 14 HB3 TYR 14 6.052 -6.723 8.431 90 HD1 TYR 14 HD1 TYR 14 6.636 -4.460 9.369 91 HD2 TYR 14 HD2 TYR 14 2.737 -5.368 7.807 92 HE1 TYR 14 HE1 TYR 14 5.702 -2.488 10.549 93 HE2 TYR 14 HE2 TYR 14 1.806 -3.395 8.984 94 HH TYR 14 HH TYR 14 2.890 -1.999 11.369 Start of MODEL 30 1 H1 GLY 1 HT1 GLY 1 13.023 -0.773 -4.025 2 H2 GLY 1 HT2 GLY 1 13.445 -1.989 -2.917 3 H3 GLY 1 HT3 GLY 1 13.174 -0.401 -2.377 4 HA2 GLY 1 HA2 GLY 1 10.921 -0.563 -2.502 5 HA3 GLY 1 HA1 GLY 1 11.001 -1.767 -3.789 6 H CYS 2 HN CYS 2 12.098 -1.448 -0.390 7 HA CYS 2 HA CYS 2 11.750 -4.354 -0.008 8 HB2 CYS 2 HB3 CYS 2 13.390 -2.294 0.967 9 HB3 CYS 2 HB2 CYS 2 12.400 -2.800 2.341 10 H CYS 3 HN CYS 3 10.546 -1.387 1.606 11 HA CYS 3 HA CYS 3 8.572 -2.782 3.192 12 HB2 CYS 3 HB3 CYS 3 8.177 0.058 2.270 13 HB3 CYS 3 HB2 CYS 3 7.887 -0.643 3.854 14 HA PRO 4 HA PRO 4 5.308 -3.027 0.223 15 HB2 PRO 4 HB3 PRO 4 3.083 -2.087 1.506 16 HB3 PRO 4 HB2 PRO 4 3.857 -3.629 1.927 17 HG2 PRO 4 HG2 PRO 4 3.888 -1.057 3.359 18 HG3 PRO 4 HG3 PRO 4 4.090 -2.701 3.976 19 HD2 PRO 4 HD2 PRO 4 6.123 -0.806 3.494 20 HD3 PRO 4 HD3 PRO 4 6.341 -2.524 3.897 21 H ALA 5 HN ALA 5 6.098 0.036 1.536 22 HA ALA 5 HA ALA 5 4.487 1.938 0.373 23 HB1 ALA 5 HB1 ALA 5 7.369 1.653 1.009 24 HB2 ALA 5 HB2 ALA 5 6.208 2.858 1.566 25 HB3 ALA 5 HB3 ALA 5 6.934 3.006 -0.033 26 HA PRO 6 HA PRO 6 7.286 -0.217 -0.155 27 HB2 PRO 6 HB3 PRO 6 9.278 -1.045 -1.796 28 HB3 PRO 6 HB2 PRO 6 7.699 -1.850 -1.731 29 HG2 PRO 6 HG2 PRO 6 8.844 -0.172 -3.829 30 HG3 PRO 6 HG3 PRO 6 7.515 -1.337 -3.914 31 HD2 PRO 6 HD2 PRO 6 7.365 1.524 -3.741 32 HD3 PRO 6 HD3 PRO 6 6.033 0.355 -3.865 33 H LEU 7 HN LEU 7 9.350 0.153 0.871 34 HA LEU 7 HA LEU 7 10.801 2.598 -0.105 35 HB2 LEU 7 HB3 LEU 7 9.305 2.062 2.294 36 HB3 LEU 7 HB2 LEU 7 10.995 2.344 2.711 37 HG LEU 7 HG LEU 7 11.004 4.469 1.579 38 HD11 LEU 7 1HD1 LEU 7 8.355 4.908 0.780 39 HD12 LEU 7 2HD1 LEU 7 8.731 3.282 0.216 40 HD13 LEU 7 3HD1 LEU 7 9.738 4.638 -0.282 41 HD21 LEU 7 1HD2 LEU 7 8.356 4.280 3.045 42 HD22 LEU 7 2HD2 LEU 7 9.400 5.694 2.905 43 HD23 LEU 7 3HD2 LEU 7 9.916 4.310 3.868 44 H THR 8 HN THR 8 12.882 2.621 1.655 45 HA THR 8 HA THR 8 14.729 0.710 0.695 46 HB THR 8 HB THR 8 15.178 2.901 1.826 47 HG1 THR 8 HG1 THR 8 17.049 2.186 2.628 48 HG21 THR 8 1HG2 THR 8 14.442 3.319 3.921 49 HG22 THR 8 2HG2 THR 8 15.123 1.809 4.529 50 HG23 THR 8 3HG2 THR 8 13.520 1.820 3.796 51 H CYS 9 HN CYS 9 15.922 -0.877 2.228 52 HA CYS 9 HA CYS 9 13.986 -2.796 3.280 53 HB2 CYS 9 HB3 CYS 9 16.988 -2.645 2.999 54 HB3 CYS 9 HB2 CYS 9 16.187 -4.025 3.763 55 H HIS 10 HN HIS 10 15.341 -0.052 4.560 56 HA HIS 10 HA HIS 10 15.716 -1.110 7.298 57 HB2 HIS 10 HB3 HIS 10 17.062 0.741 6.060 58 HB3 HIS 10 HB2 HIS 10 15.670 1.777 6.392 59 HD1 HIS 10 HD1 HIS 10 17.598 3.044 7.915 60 HD2 HIS 10 HD2 HIS 10 16.195 -0.626 9.310 61 HE1 HIS 10 HE1 HIS 10 18.223 2.923 10.367 62 H CYS 11 HN CYS 11 13.354 0.522 5.306 63 HA CYS 11 HA CYS 11 11.636 1.205 7.609 64 HB2 CYS 11 HB3 CYS 11 11.158 2.870 6.158 65 HB3 CYS 11 HB2 CYS 11 12.082 2.067 4.895 66 H VAL 12 HN VAL 12 12.122 -1.405 5.438 67 HA VAL 12 HA VAL 12 9.941 -2.635 4.606 68 HB VAL 12 HB VAL 12 12.235 -3.541 6.246 69 HG11 VAL 12 1HG1 VAL 12 11.192 -5.963 5.952 70 HG12 VAL 12 2HG1 VAL 12 9.669 -5.083 6.085 71 HG13 VAL 12 3HG1 VAL 12 10.848 -5.010 7.396 72 HG21 VAL 12 1HG2 VAL 12 11.241 -3.636 3.539 73 HG22 VAL 12 2HG2 VAL 12 11.638 -5.265 4.088 74 HG23 VAL 12 3HG2 VAL 12 12.861 -3.996 4.135 75 H ILE 13 HN ILE 13 7.977 -1.820 5.461 76 HA ILE 13 HA ILE 13 7.357 -2.573 8.299 77 HB ILE 13 HB ILE 13 7.072 -0.226 7.762 78 HG12 ILE 13 HG13 ILE 13 4.236 -0.737 7.571 79 HG13 ILE 13 HG12 ILE 13 4.980 -1.913 8.655 80 HG21 ILE 13 1HG2 ILE 13 5.408 0.410 5.960 81 HG22 ILE 13 2HG2 ILE 13 5.441 -1.272 5.437 82 HG23 ILE 13 3HG2 ILE 13 6.908 -0.297 5.366 83 HD11 ILE 13 1HD1 ILE 13 4.560 -0.144 10.114 84 HD12 ILE 13 2HD1 ILE 13 4.890 1.078 8.887 85 HD13 ILE 13 3HD1 ILE 13 6.221 0.190 9.625 86 H TYR 14 HN TYR 14 7.126 -4.873 7.382 87 HA TYR 14 HA TYR 14 5.081 -5.613 5.547 88 HB2 TYR 14 HB2 TYR 14 5.488 -7.806 6.396 89 HB3 TYR 14 HB3 TYR 14 7.019 -6.947 6.588 90 HD1 TYR 14 HD1 TYR 14 4.324 -8.672 8.274 91 HD2 TYR 14 HD2 TYR 14 7.574 -5.923 8.854 92 HE1 TYR 14 HE1 TYR 14 4.261 -9.112 10.713 93 HE2 TYR 14 HE2 TYR 14 7.510 -6.364 11.295 94 HH TYR 14 HH TYR 14 6.682 -8.414 12.769 Start of MODEL 31 1 H1 GLY 1 HT1 GLY 1 12.600 -1.725 -3.408 2 H2 GLY 1 HT2 GLY 1 11.082 -1.122 -2.940 3 H3 GLY 1 HT3 GLY 1 11.360 -2.797 -2.973 4 HA2 GLY 1 HA2 GLY 1 13.317 -1.937 -1.324 5 HA3 GLY 1 HA1 GLY 1 11.968 -0.871 -0.925 6 H CYS 2 HN CYS 2 12.592 -2.499 1.073 7 HA CYS 2 HA CYS 2 11.248 -5.089 0.925 8 HB2 CYS 2 HB3 CYS 2 12.530 -3.426 3.099 9 HB3 CYS 2 HB2 CYS 2 11.750 -4.961 3.444 10 H CYS 3 HN CYS 3 10.255 -1.820 1.608 11 HA CYS 3 HA CYS 3 7.944 -2.642 3.262 12 HB2 CYS 3 HB3 CYS 3 8.078 0.051 1.967 13 HB3 CYS 3 HB2 CYS 3 7.646 -0.373 3.621 14 HA PRO 4 HA PRO 4 5.113 -2.975 -0.099 15 HB2 PRO 4 HB3 PRO 4 2.838 -1.840 0.909 16 HB3 PRO 4 HB2 PRO 4 3.468 -3.399 1.485 17 HG2 PRO 4 HG2 PRO 4 3.571 -0.733 2.757 18 HG3 PRO 4 HG3 PRO 4 3.523 -2.338 3.496 19 HD2 PRO 4 HD2 PRO 4 5.790 -0.720 3.210 20 HD3 PRO 4 HD3 PRO 4 5.783 -2.453 3.611 21 H ALA 5 HN ALA 5 5.561 0.193 1.311 22 HA ALA 5 HA ALA 5 4.237 2.031 -0.178 23 HB1 ALA 5 HB1 ALA 5 6.776 3.044 -0.265 24 HB2 ALA 5 HB2 ALA 5 6.940 1.787 0.961 25 HB3 ALA 5 HB3 ALA 5 5.744 3.068 1.165 26 HA PRO 6 HA PRO 6 7.180 0.018 -0.220 27 HB2 PRO 6 HB3 PRO 6 9.483 -0.654 -1.486 28 HB3 PRO 6 HB2 PRO 6 7.989 -1.597 -1.661 29 HG2 PRO 6 HG2 PRO 6 9.314 0.169 -3.581 30 HG3 PRO 6 HG3 PRO 6 8.155 -1.139 -3.858 31 HD2 PRO 6 HD2 PRO 6 7.662 1.679 -3.827 32 HD3 PRO 6 HD3 PRO 6 6.495 0.366 -4.085 33 H LEU 7 HN LEU 7 9.437 0.334 0.775 34 HA LEU 7 HA LEU 7 10.554 3.035 0.141 35 HB2 LEU 7 HB3 LEU 7 9.016 2.206 2.403 36 HB3 LEU 7 HB2 LEU 7 10.667 2.504 2.951 37 HG LEU 7 HG LEU 7 10.655 4.731 2.030 38 HD11 LEU 7 1HD1 LEU 7 9.544 4.626 -0.008 39 HD12 LEU 7 2HD1 LEU 7 8.314 5.417 0.981 40 HD13 LEU 7 3HD1 LEU 7 8.210 3.688 0.656 41 HD21 LEU 7 1HD2 LEU 7 9.617 5.198 3.995 42 HD22 LEU 7 2HD2 LEU 7 8.508 3.836 3.832 43 HD23 LEU 7 3HD2 LEU 7 8.153 5.365 3.026 44 H THR 8 HN THR 8 12.720 3.226 1.571 45 HA THR 8 HA THR 8 14.690 1.529 0.643 46 HB THR 8 HB THR 8 15.179 3.508 1.951 47 HG1 THR 8 HG1 THR 8 16.622 1.668 2.137 48 HG21 THR 8 1HG2 THR 8 14.613 3.686 4.315 49 HG22 THR 8 2HG2 THR 8 13.937 2.059 4.304 50 HG23 THR 8 3HG2 THR 8 13.151 3.346 3.391 51 H CYS 9 HN CYS 9 15.611 -0.492 1.399 52 HA CYS 9 HA CYS 9 13.691 -2.326 2.501 53 HB2 CYS 9 HB3 CYS 9 16.350 -2.341 1.342 54 HB3 CYS 9 HB2 CYS 9 16.209 -3.502 2.670 55 H HIS 10 HN HIS 10 15.428 0.017 4.061 56 HA HIS 10 HA HIS 10 15.970 -1.545 6.511 57 HB2 HIS 10 HB3 HIS 10 16.248 1.376 5.714 58 HB3 HIS 10 HB2 HIS 10 16.775 0.717 7.264 59 HD1 HIS 10 HD1 HIS 10 19.119 -0.142 7.325 60 HD2 HIS 10 HD2 HIS 10 17.611 -0.068 3.438 61 HE1 HIS 10 HE1 HIS 10 21.020 -0.840 5.805 62 H CYS 11 HN CYS 11 13.422 0.128 5.000 63 HA CYS 11 HA CYS 11 12.062 0.948 7.489 64 HB2 CYS 11 HB3 CYS 11 11.391 2.508 5.980 65 HB3 CYS 11 HB2 CYS 11 12.076 1.573 4.654 66 H VAL 12 HN VAL 12 11.646 -1.325 4.801 67 HA VAL 12 HA VAL 12 9.883 -2.959 4.516 68 HB VAL 12 HB VAL 12 12.103 -3.861 5.270 69 HG11 VAL 12 1HG1 VAL 12 11.053 -4.522 7.944 70 HG12 VAL 12 2HG1 VAL 12 11.399 -2.808 7.709 71 HG13 VAL 12 3HG1 VAL 12 12.671 -4.007 7.465 72 HG21 VAL 12 1HG2 VAL 12 9.820 -5.193 4.856 73 HG22 VAL 12 2HG2 VAL 12 10.027 -5.585 6.564 74 HG23 VAL 12 3HG2 VAL 12 11.280 -6.020 5.401 75 H ILE 13 HN ILE 13 7.889 -1.832 5.176 76 HA ILE 13 HA ILE 13 7.186 -1.980 8.051 77 HB ILE 13 HB ILE 13 6.692 -0.163 6.124 78 HG12 ILE 13 HG13 ILE 13 6.272 0.282 8.435 79 HG13 ILE 13 HG12 ILE 13 4.748 0.575 7.596 80 HG21 ILE 13 1HG2 ILE 13 5.049 -2.168 5.235 81 HG22 ILE 13 2HG2 ILE 13 4.787 -0.457 4.915 82 HG23 ILE 13 3HG2 ILE 13 3.946 -1.242 6.251 83 HD11 ILE 13 1HD1 ILE 13 4.405 -0.760 9.657 84 HD12 ILE 13 2HD1 ILE 13 5.492 -1.996 9.024 85 HD13 ILE 13 3HD1 ILE 13 3.959 -1.673 8.214 86 H TYR 14 HN TYR 14 7.549 -4.479 6.475 87 HA TYR 14 HA TYR 14 6.502 -6.585 6.359 88 HB2 TYR 14 HB2 TYR 14 5.762 -5.485 8.667 89 HB3 TYR 14 HB3 TYR 14 4.182 -5.446 7.879 90 HD1 TYR 14 HD1 TYR 14 5.183 -8.040 6.156 91 HD2 TYR 14 HD2 TYR 14 4.687 -7.083 10.316 92 HE1 TYR 14 HE1 TYR 14 4.855 -10.444 6.672 93 HE2 TYR 14 HE2 TYR 14 4.361 -9.485 10.831 94 HH TYR 14 HH TYR 14 5.265 -11.844 9.245 Start of MODEL 32 1 H1 GLY 1 HT1 GLY 1 13.267 -2.128 -4.157 2 H2 GLY 1 HT2 GLY 1 11.853 -2.445 -5.045 3 H3 GLY 1 HT3 GLY 1 12.449 -3.599 -3.950 4 HA2 GLY 1 HA2 GLY 1 12.012 -1.090 -2.670 5 HA3 GLY 1 HA1 GLY 1 10.545 -1.701 -3.437 6 H CYS 2 HN CYS 2 12.042 -1.711 -0.563 7 HA CYS 2 HA CYS 2 11.684 -4.567 0.098 8 HB2 CYS 2 HB3 CYS 2 13.145 -2.283 1.050 9 HB3 CYS 2 HB2 CYS 2 12.200 -2.962 2.379 10 H CYS 3 HN CYS 3 10.511 -1.546 1.639 11 HA CYS 3 HA CYS 3 8.312 -2.874 2.972 12 HB2 CYS 3 HB3 CYS 3 8.283 0.046 2.211 13 HB3 CYS 3 HB2 CYS 3 7.717 -0.709 3.696 14 HA PRO 4 HA PRO 4 5.299 -2.930 -0.238 15 HB2 PRO 4 HB3 PRO 4 3.002 -2.222 1.073 16 HB3 PRO 4 HB2 PRO 4 3.789 -3.801 1.292 17 HG2 PRO 4 HG2 PRO 4 3.854 -1.394 3.037 18 HG3 PRO 4 HG3 PRO 4 3.810 -3.108 3.477 19 HD2 PRO 4 HD2 PRO 4 6.075 -1.566 3.536 20 HD3 PRO 4 HD3 PRO 4 6.078 -3.332 3.335 21 H ALA 5 HN ALA 5 6.186 -0.082 1.335 22 HA ALA 5 HA ALA 5 4.468 1.939 0.499 23 HB1 ALA 5 HB1 ALA 5 6.173 2.774 1.750 24 HB2 ALA 5 HB2 ALA 5 6.933 3.054 0.184 25 HB3 ALA 5 HB3 ALA 5 7.335 1.610 1.115 26 HA PRO 6 HA PRO 6 7.344 0.023 -0.320 27 HB2 PRO 6 HB3 PRO 6 9.395 -0.441 -2.034 28 HB3 PRO 6 HB2 PRO 6 7.881 -1.369 -2.063 29 HG2 PRO 6 HG2 PRO 6 8.882 0.614 -3.960 30 HG3 PRO 6 HG3 PRO 6 7.622 -0.612 -4.168 31 HD2 PRO 6 HD2 PRO 6 7.310 2.201 -3.649 32 HD3 PRO 6 HD3 PRO 6 6.049 0.980 -3.928 33 H LEU 7 HN LEU 7 9.341 0.385 0.771 34 HA LEU 7 HA LEU 7 10.642 3.029 0.201 35 HB2 LEU 7 HB3 LEU 7 9.174 2.022 2.463 36 HB3 LEU 7 HB2 LEU 7 10.845 2.318 2.949 37 HG LEU 7 HG LEU 7 10.740 4.602 2.204 38 HD11 LEU 7 1HD1 LEU 7 8.664 3.539 0.528 39 HD12 LEU 7 2HD1 LEU 7 9.478 5.095 0.406 40 HD13 LEU 7 3HD1 LEU 7 8.036 4.927 1.407 41 HD21 LEU 7 1HD2 LEU 7 8.487 5.311 3.403 42 HD22 LEU 7 2HD2 LEU 7 9.800 4.593 4.340 43 HD23 LEU 7 3HD2 LEU 7 8.428 3.604 3.839 44 H THR 8 HN THR 8 12.672 2.769 2.132 45 HA THR 8 HA THR 8 14.570 1.065 0.790 46 HB THR 8 HB THR 8 15.140 3.134 1.993 47 HG1 THR 8 HG1 THR 8 16.423 1.422 3.671 48 HG21 THR 8 1HG2 THR 8 13.830 1.652 4.230 49 HG22 THR 8 2HG2 THR 8 13.735 3.362 3.810 50 HG23 THR 8 3HG2 THR 8 15.166 2.733 4.628 51 H CYS 9 HN CYS 9 15.897 -0.565 2.240 52 HA CYS 9 HA CYS 9 14.013 -2.616 3.156 53 HB2 CYS 9 HB3 CYS 9 16.981 -2.368 2.719 54 HB3 CYS 9 HB2 CYS 9 16.309 -3.790 3.527 55 H HIS 10 HN HIS 10 15.433 0.026 4.623 56 HA HIS 10 HA HIS 10 15.824 -1.255 7.266 57 HB2 HIS 10 HB3 HIS 10 17.397 0.450 6.706 58 HB3 HIS 10 HB2 HIS 10 16.134 1.512 6.076 59 HD1 HIS 10 HD1 HIS 10 17.660 0.300 9.290 60 HD2 HIS 10 HD2 HIS 10 14.710 2.974 8.057 61 HE1 HIS 10 HE1 HIS 10 17.049 1.679 11.323 62 H CYS 11 HN CYS 11 13.383 0.264 5.388 63 HA CYS 11 HA CYS 11 11.762 1.111 7.708 64 HB2 CYS 11 HB3 CYS 11 11.237 2.629 6.107 65 HB3 CYS 11 HB2 CYS 11 12.056 1.675 4.875 66 H VAL 12 HN VAL 12 12.042 -1.483 5.397 67 HA VAL 12 HA VAL 12 10.250 -3.083 4.820 68 HB VAL 12 HB VAL 12 12.438 -3.752 6.034 69 HG11 VAL 12 1HG1 VAL 12 11.240 -3.050 8.295 70 HG12 VAL 12 2HG1 VAL 12 12.369 -4.406 8.255 71 HG13 VAL 12 3HG1 VAL 12 10.630 -4.704 8.221 72 HG21 VAL 12 1HG2 VAL 12 9.941 -5.459 5.949 73 HG22 VAL 12 2HG2 VAL 12 11.534 -6.121 6.318 74 HG23 VAL 12 3HG2 VAL 12 11.232 -5.371 4.750 75 H ILE 13 HN ILE 13 8.219 -1.856 5.216 76 HA ILE 13 HA ILE 13 7.042 -2.103 7.922 77 HB ILE 13 HB ILE 13 6.127 -0.962 5.265 78 HG12 ILE 13 HG13 ILE 13 7.882 0.307 6.416 79 HG13 ILE 13 HG12 ILE 13 6.355 1.184 6.500 80 HG21 ILE 13 1HG2 ILE 13 4.628 -0.200 7.672 81 HG22 ILE 13 2HG2 ILE 13 4.438 -1.900 7.244 82 HG23 ILE 13 3HG2 ILE 13 4.033 -0.644 6.074 83 HD11 ILE 13 1HD1 ILE 13 7.000 1.313 8.718 84 HD12 ILE 13 2HD1 ILE 13 7.850 -0.231 8.670 85 HD13 ILE 13 3HD1 ILE 13 6.090 -0.198 8.759 86 H TYR 14 HN TYR 14 6.820 -4.368 8.150 87 HA TYR 14 HA TYR 14 6.043 -6.378 6.519 88 HB2 TYR 14 HB2 TYR 14 6.361 -6.756 8.849 89 HB3 TYR 14 HB3 TYR 14 5.064 -5.634 9.282 90 HD1 TYR 14 HD1 TYR 14 2.705 -6.262 9.014 91 HD2 TYR 14 HD2 TYR 14 5.868 -9.006 8.045 92 HE1 TYR 14 HE1 TYR 14 1.072 -8.128 8.960 93 HE2 TYR 14 HE2 TYR 14 4.233 -10.871 7.991 94 HH TYR 14 HH TYR 14 0.756 -10.278 8.444
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