NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10944 | 1qmw | 4503 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ILE 1 H1 ILE 1 0.663 6.108 -3.739 2 H2 ILE 1 H2 ILE 1 1.943 6.807 -2.954 3 H3 ILE 1 H3 ILE 1 2.146 5.371 -3.752 4 HA ILE 1 HA ILE 1 2.046 4.710 -1.606 5 HB ILE 1 HB ILE 1 0.056 5.654 -0.198 6 1HG1 ILE 1 1HG1 ILE 1 0.400 7.889 -2.238 7 2HG1 ILE 1 2HG1 ILE 1 -0.977 6.760 -2.233 8 1HG2 ILE 1 1HG2 ILE 1 2.756 6.375 -0.568 9 2HG2 ILE 1 2HG2 ILE 1 1.866 7.917 -0.546 10 3HG2 ILE 1 3HG2 ILE 1 1.723 6.788 0.822 11 1HD1 ILE 1 1HD1 ILE 1 -0.367 8.010 0.391 12 2HD1 ILE 1 2HD1 ILE 1 -0.930 9.137 -0.865 13 3HD1 ILE 1 3HD1 ILE 1 -1.934 7.741 -0.407 14 H CYS 2 H CYS 2 0.142 3.466 -0.364 15 HA CYS 2 HA CYS 2 -2.033 2.752 -2.063 16 1HB CYS 2 1HB CYS 2 -0.058 1.464 -2.996 17 2HB CYS 2 2HB CYS 2 -0.017 0.581 -1.482 18 H CYS 3 H CYS 3 -3.621 2.778 -0.508 19 HA CYS 3 HA CYS 3 -2.889 1.955 2.179 20 1HB CYS 3 1HB CYS 3 -4.097 4.129 1.664 21 2HB CYS 3 2HB CYS 3 -5.503 3.160 1.273 22 H ASN 4 H ASN 4 -2.689 -0.330 1.095 23 HA ASN 4 HA ASN 4 -5.166 -1.658 1.633 24 1HB ASN 4 1HB ASN 4 -4.424 -1.093 -1.069 25 2HB ASN 4 2HB ASN 4 -4.045 -2.788 -0.830 26 2HD2 ASN 4 1HD2 ASN 4 -5.881 -2.453 -2.583 27 1HD2 ASN 4 2HD2 ASN 4 -7.488 -2.763 -2.015 28 HA PRO 5 HA PRO 5 -2.182 -4.596 2.936 29 1HB PRO 5 1HB PRO 5 -3.681 -6.873 3.122 30 2HB PRO 5 2HB PRO 5 -3.680 -5.624 4.351 31 1HG PRO 5 2HG PRO 5 -5.897 -5.299 3.806 32 2HG PRO 5 1HG PRO 5 -5.749 -6.233 2.330 33 1HD PRO 5 1HD PRO 5 -5.711 -4.269 1.136 34 2HD PRO 5 2HD PRO 5 -5.742 -3.336 2.619 35 H ALA 6 H ALA 6 -4.023 -5.342 0.091 36 HA ALA 6 HA ALA 6 -2.357 -7.466 -0.738 37 1HB ALA 6 2HB ALA 6 -4.136 -5.615 -2.376 38 2HB ALA 6 1HB ALA 6 -4.702 -7.057 -1.499 39 3HB ALA 6 3HB ALA 6 -3.557 -7.231 -2.851 40 H CYS 7 H CYS 7 -1.782 -4.131 -0.374 41 HA CYS 7 HA CYS 7 -0.192 -3.746 -2.692 42 1HB CYS 7 1HB CYS 7 -0.173 -2.173 -0.109 43 2HB CYS 7 2HB CYS 7 0.476 -1.662 -1.654 44 H GLY 8 H GLY 8 0.218 -5.043 0.589 45 1HA GLY 8 1HA GLY 8 1.989 -5.892 1.688 46 2HA GLY 8 2HA GLY 8 2.517 -6.449 0.113 47 HA PRO 9 HA PRO 9 5.894 -3.755 0.677 48 1HB PRO 9 1HB PRO 9 7.152 -4.165 -1.715 49 2HB PRO 9 2HB PRO 9 7.335 -5.236 -0.340 50 1HG PRO 9 1HG PRO 9 5.769 -5.647 -2.813 51 2HG PRO 9 2HG PRO 9 6.308 -6.836 -1.645 52 1HD PRO 9 1HD PRO 9 3.656 -5.774 -1.916 53 2HD PRO 9 2HD PRO 9 4.222 -6.876 -0.676 54 H LYS 10 H LYS 10 3.251 -3.125 -1.009 55 HA LYS 10 HA LYS 10 4.395 -0.620 -2.031 56 1HB LYS 10 1HB LYS 10 3.469 -2.274 -3.726 57 2HB LYS 10 2HB LYS 10 1.886 -1.985 -3.035 58 1HG LYS 10 1HG LYS 10 2.684 0.601 -3.379 59 2HG LYS 10 2HG LYS 10 3.616 -0.149 -4.660 60 1HD LYS 10 1HD LYS 10 1.134 -1.357 -4.990 61 2HD LYS 10 2HD LYS 10 0.679 0.244 -4.442 62 1HE LYS 10 1HE LYS 10 2.707 -0.167 -6.680 63 2HE LYS 10 2HE LYS 10 0.986 -0.089 -6.998 64 1HZ LYS 10 1HZ LYS 10 2.242 2.007 -5.411 65 2HZ LYS 10 2HZ LYS 10 2.373 2.040 -7.039 66 3HZ LYS 10 3HZ LYS 10 0.898 2.083 -6.337 67 H TYR 11 H TYR 11 2.718 -1.993 0.509 68 HA TYR 11 HA TYR 11 0.545 -0.234 0.803 69 1HB TYR 11 1HB TYR 11 0.941 -2.444 1.980 70 2HB TYR 11 2HB TYR 11 2.359 -1.776 2.763 71 HD1 TYR 11 HD1 TYR 11 -1.084 -0.352 2.315 72 HD2 TYR 11 HD2 TYR 11 1.918 -1.701 5.049 73 HE1 TYR 11 HE1 TYR 11 -2.516 0.407 4.273 74 HE2 TYR 11 HE2 TYR 11 0.474 -0.938 6.998 75 HH TYR 11 HH TYR 11 -2.795 -0.090 6.595 76 H SER 12 H SER 12 0.599 1.934 1.094 77 HA SER 12 HA SER 12 2.583 2.943 2.938 78 1HB SER 12 1HB SER 12 2.804 3.276 0.115 79 2HB SER 12 2HB SER 12 2.273 4.825 0.738 80 HG SER 12 HG SER 12 4.206 5.153 1.601 81 H CYS 13 H CYS 13 0.523 2.944 4.241 82 HA CYS 13 HA CYS 13 -0.812 5.478 3.859 83 1HB CYS 13 1HB CYS 13 -2.298 4.095 2.621 84 2HB CYS 13 2HB CYS 13 -2.269 2.836 3.839 No H/Q in entry = 84 Start of MODEL 2 1 H1 ILE 1 H1 ILE 1 0.697 6.266 -3.598 2 H2 ILE 1 H2 ILE 1 1.901 7.029 -2.755 3 H3 ILE 1 H3 ILE 1 2.220 5.617 -3.559 4 HA ILE 1 HA ILE 1 2.061 4.868 -1.467 5 HB ILE 1 HB ILE 1 0.062 5.770 -0.043 6 1HG1 ILE 1 1HG1 ILE 1 0.428 8.125 -1.926 7 2HG1 ILE 1 2HG1 ILE 1 -0.886 6.942 -2.134 8 1HG2 ILE 1 1HG2 ILE 1 2.762 6.492 -0.364 9 2HG2 ILE 1 2HG2 ILE 1 1.881 8.039 -0.326 10 3HG2 ILE 1 3HG2 ILE 1 1.715 6.886 1.019 11 1HD1 ILE 1 1HD1 ILE 1 -1.592 7.384 0.233 12 2HD1 ILE 1 2HD1 ILE 1 -0.350 8.656 0.328 13 3HD1 ILE 1 3HD1 ILE 1 -1.708 8.823 -0.809 14 H CYS 2 H CYS 2 0.124 3.614 -0.258 15 HA CYS 2 HA CYS 2 -2.031 2.936 -1.993 16 1HB CYS 2 1HB CYS 2 -0.051 1.671 -2.946 17 2HB CYS 2 2HB CYS 2 -0.020 0.749 -1.456 18 H CYS 3 H CYS 3 -3.629 2.919 -0.446 19 HA CYS 3 HA CYS 3 -2.912 2.023 2.222 20 1HB CYS 3 1HB CYS 3 -4.114 4.215 1.756 21 2HB CYS 3 2HB CYS 3 -5.522 3.259 1.339 22 H ASN 4 H ASN 4 -2.713 -0.232 1.084 23 HA ASN 4 HA ASN 4 -5.197 -1.567 1.570 24 1HB ASN 4 1HB ASN 4 -4.440 -0.931 -1.112 25 2HB ASN 4 2HB ASN 4 -4.067 -2.631 -0.917 26 2HD2 ASN 4 1HD2 ASN 4 -5.621 -3.910 -1.525 27 1HD2 ASN 4 2HD2 ASN 4 -7.326 -3.651 -1.373 28 HA PRO 5 HA PRO 5 -2.229 -4.550 2.808 29 1HB PRO 5 1HB PRO 5 -3.737 -6.826 2.920 30 2HB PRO 5 2HB PRO 5 -3.739 -5.612 4.184 31 1HG PRO 5 2HG PRO 5 -5.952 -5.266 3.635 32 2HG PRO 5 1HG PRO 5 -5.798 -6.158 2.134 33 1HD PRO 5 1HD PRO 5 -5.747 -4.162 0.995 34 2HD PRO 5 2HD PRO 5 -5.784 -3.271 2.504 35 H ALA 6 H ALA 6 -4.056 -5.212 -0.069 36 HA ALA 6 HA ALA 6 -2.391 -7.315 -0.948 37 1HB ALA 6 3HB ALA 6 -4.461 -7.304 -1.984 38 2HB ALA 6 1HB ALA 6 -4.510 -5.530 -2.110 39 3HB ALA 6 2HB ALA 6 -3.489 -6.474 -3.221 40 H CYS 7 H CYS 7 -1.812 -3.991 -0.490 41 HA CYS 7 HA CYS 7 -0.207 -3.544 -2.785 42 1HB CYS 7 2HB CYS 7 0.463 -1.495 -1.681 43 2HB CYS 7 1HB CYS 7 -0.196 -2.050 -0.156 44 H GLY 8 H GLY 8 0.184 -4.937 0.460 45 1HA GLY 8 1HA GLY 8 1.947 -5.821 1.544 46 2HA GLY 8 2HA GLY 8 2.477 -6.340 -0.044 47 HA PRO 9 HA PRO 9 5.866 -3.679 0.600 48 1HB PRO 9 1HB PRO 9 7.127 -4.027 -1.799 49 2HB PRO 9 2HB PRO 9 7.302 -5.137 -0.454 50 1HG PRO 9 2HG PRO 9 6.270 -6.695 -1.806 51 2HG PRO 9 1HG PRO 9 5.740 -5.470 -2.942 52 1HD PRO 9 1HD PRO 9 3.624 -5.614 -2.053 53 2HD PRO 9 2HD PRO 9 4.182 -6.751 -0.843 54 H LYS 10 H LYS 10 3.229 -2.990 -1.075 55 HA LYS 10 HA LYS 10 4.387 -0.461 -2.023 56 1HB LYS 10 1HB LYS 10 3.458 -2.067 -3.764 57 2HB LYS 10 2HB LYS 10 1.874 -1.781 -3.073 58 1HG LYS 10 1HG LYS 10 2.761 0.808 -3.350 59 2HG LYS 10 2HG LYS 10 3.598 0.048 -4.688 60 1HD LYS 10 1HD LYS 10 0.850 -0.912 -4.598 61 2HD LYS 10 2HD LYS 10 0.855 0.840 -4.573 62 1HE LYS 10 2HE LYS 10 2.502 0.746 -6.556 63 2HE LYS 10 1HE LYS 10 0.852 0.262 -6.894 64 1HZ LYS 10 1HZ LYS 10 1.558 -2.037 -6.549 65 2HZ LYS 10 2HZ LYS 10 2.360 -1.327 -7.782 66 3HZ LYS 10 3HZ LYS 10 3.102 -1.546 -6.345 67 H TYR 11 H TYR 11 2.693 -1.899 0.471 68 HA TYR 11 HA TYR 11 0.526 -0.144 0.808 69 1HB TYR 11 1HB TYR 11 0.917 -2.385 1.926 70 2HB TYR 11 2HB TYR 11 2.332 -1.738 2.732 71 HD1 TYR 11 HD1 TYR 11 -1.218 -0.561 2.320 72 HD2 TYR 11 HD2 TYR 11 1.989 -1.466 5.004 73 HE1 TYR 11 HE1 TYR 11 -2.659 0.147 4.292 74 HE2 TYR 11 HE2 TYR 11 0.537 -0.755 6.967 75 HH TYR 11 HH TYR 11 -1.324 0.557 7.442 76 H SER 12 H SER 12 0.585 2.016 1.155 77 HA SER 12 HA SER 12 2.565 2.972 3.031 78 1HB SER 12 1HB SER 12 2.792 3.381 0.216 79 2HB SER 12 2HB SER 12 2.269 4.915 0.886 80 HG SER 12 HG SER 12 4.551 3.365 1.778 81 H CYS 13 H CYS 13 0.499 2.943 4.327 82 HA CYS 13 HA CYS 13 -0.827 5.491 4.008 83 1HB CYS 13 1HB CYS 13 -2.311 4.146 2.724 84 2HB CYS 13 2HB CYS 13 -2.293 2.856 3.909 No H/Q in entry = 84 Start of MODEL 3 1 H1 ILE 1 H1 ILE 1 0.864 6.034 -3.774 2 H2 ILE 1 H2 ILE 1 1.964 6.910 -2.899 3 H3 ILE 1 H3 ILE 1 2.421 5.492 -3.622 4 HA ILE 1 HA ILE 1 2.176 4.747 -1.558 5 HB ILE 1 HB ILE 1 0.151 5.679 -0.188 6 1HG1 ILE 1 1HG1 ILE 1 0.558 8.058 -2.011 7 2HG1 ILE 1 2HG1 ILE 1 -0.671 6.829 -2.396 8 1HG2 ILE 1 1HG2 ILE 1 2.835 6.300 -0.352 9 2HG2 ILE 1 2HG2 ILE 1 2.076 7.892 -0.592 10 3HG2 ILE 1 3HG2 ILE 1 1.718 6.946 0.872 11 1HD1 ILE 1 1HD1 ILE 1 -0.907 7.426 0.390 12 2HD1 ILE 1 2HD1 ILE 1 -0.814 8.977 -0.478 13 3HD1 ILE 1 3HD1 ILE 1 -2.067 7.789 -0.911 14 H CYS 2 H CYS 2 0.198 3.538 -0.348 15 HA CYS 2 HA CYS 2 -1.920 2.817 -2.105 16 1HB CYS 2 1HB CYS 2 0.074 1.528 -2.996 17 2HB CYS 2 2HB CYS 2 0.079 0.639 -1.486 18 H CYS 3 H CYS 3 -3.537 2.857 -0.578 19 HA CYS 3 HA CYS 3 -2.868 2.009 2.118 20 1HB CYS 3 1HB CYS 3 -4.046 4.198 1.594 21 2HB CYS 3 2HB CYS 3 -5.452 3.244 1.165 22 H ASN 4 H ASN 4 -2.665 -0.271 1.025 23 HA ASN 4 HA ASN 4 -5.167 -1.580 1.501 24 1HB ASN 4 1HB ASN 4 -4.357 -1.008 -1.180 25 2HB ASN 4 2HB ASN 4 -3.999 -2.706 -0.942 26 2HD2 ASN 4 1HD2 ASN 4 -5.550 -4.011 -1.500 27 1HD2 ASN 4 2HD2 ASN 4 -7.256 -3.730 -1.401 28 HA PRO 5 HA PRO 5 -2.240 -4.552 2.857 29 1HB PRO 5 1HB PRO 5 -3.766 -6.815 2.997 30 2HB PRO 5 2HB PRO 5 -3.780 -5.572 4.232 31 1HG PRO 5 2HG PRO 5 -5.981 -5.224 3.638 32 2HG PRO 5 1HG PRO 5 -5.809 -6.151 2.161 33 1HD PRO 5 1HD PRO 5 -5.725 -4.182 0.977 34 2HD PRO 5 2HD PRO 5 -5.781 -3.256 2.465 35 H ALA 6 H ALA 6 -4.023 -5.266 -0.034 36 HA ALA 6 HA ALA 6 -2.359 -7.401 -0.836 37 1HB ALA 6 3HB ALA 6 -4.444 -7.367 -1.874 38 2HB ALA 6 1HB ALA 6 -4.412 -5.604 -2.116 39 3HB ALA 6 2HB ALA 6 -3.412 -6.661 -3.140 40 H CYS 7 H CYS 7 -1.761 -4.072 -0.444 41 HA CYS 7 HA CYS 7 -0.115 -3.689 -2.720 42 1HB CYS 7 2HB CYS 7 0.552 -1.620 -1.653 43 2HB CYS 7 1HB CYS 7 -0.136 -2.136 -0.125 44 H GLY 8 H GLY 8 0.210 -5.010 0.562 45 1HA GLY 8 1HA GLY 8 1.949 -5.883 1.695 46 2HA GLY 8 2HA GLY 8 2.501 -6.441 0.129 47 HA PRO 9 HA PRO 9 5.900 -3.791 0.768 48 1HB PRO 9 1HB PRO 9 7.197 -4.205 -1.602 49 2HB PRO 9 2HB PRO 9 7.341 -5.285 -0.230 50 1HG PRO 9 1HG PRO 9 5.817 -5.663 -2.735 51 2HG PRO 9 2HG PRO 9 6.319 -6.866 -1.563 52 1HD PRO 9 1HD PRO 9 3.686 -5.771 -1.878 53 2HD PRO 9 2HD PRO 9 4.216 -6.884 -0.633 54 H LYS 10 H LYS 10 3.296 -3.123 -0.967 55 HA LYS 10 HA LYS 10 4.489 -0.624 -1.950 56 1HB LYS 10 1HB LYS 10 3.605 -2.230 -3.690 57 2HB LYS 10 2HB LYS 10 2.005 -1.989 -3.017 58 1HG LYS 10 1HG LYS 10 2.819 0.626 -3.299 59 2HG LYS 10 2HG LYS 10 3.689 -0.118 -4.625 60 1HD LYS 10 1HD LYS 10 1.577 -1.094 -5.498 61 2HD LYS 10 2HD LYS 10 0.689 -0.432 -4.142 62 1HE LYS 10 1HE LYS 10 0.721 1.725 -4.985 63 2HE LYS 10 2HE LYS 10 2.321 1.548 -5.681 64 1HZ LYS 10 1HZ LYS 10 1.053 -0.094 -7.224 65 2HZ LYS 10 2HZ LYS 10 -0.245 0.805 -6.803 66 3HZ LYS 10 3HZ LYS 10 1.039 1.511 -7.524 67 H TYR 11 H TYR 11 2.743 -1.993 0.545 68 HA TYR 11 HA TYR 11 0.581 -0.220 0.803 69 1HB TYR 11 1HB TYR 11 0.941 -2.435 1.981 70 2HB TYR 11 2HB TYR 11 2.345 -1.777 2.795 71 HD1 TYR 11 HD1 TYR 11 -1.129 -0.438 2.283 72 HD2 TYR 11 HD2 TYR 11 1.905 -1.601 5.065 73 HE1 TYR 11 HE1 TYR 11 -2.597 0.324 4.213 74 HE2 TYR 11 HE2 TYR 11 0.427 -0.835 6.987 75 HH TYR 11 HH TYR 11 -2.501 -0.576 7.012 76 H SER 12 H SER 12 0.640 1.946 1.103 77 HA SER 12 HA SER 12 2.597 2.939 2.985 78 1HB SER 12 1HB SER 12 2.861 3.285 0.164 79 2HB SER 12 2HB SER 12 2.341 4.835 0.795 80 HG SER 12 HG SER 12 4.465 5.027 1.171 81 H CYS 13 H CYS 13 0.517 2.951 4.255 82 HA CYS 13 HA CYS 13 -0.799 5.492 3.856 83 1HB CYS 13 1HB CYS 13 -2.270 4.119 2.589 84 2HB CYS 13 2HB CYS 13 -2.269 2.857 3.805 No H/Q in entry = 84 Start of MODEL 4 1 H1 ILE 1 H1 ILE 1 0.808 6.140 -3.706 2 H2 ILE 1 H2 ILE 1 1.973 6.948 -2.850 3 H3 ILE 1 H3 ILE 1 2.343 5.527 -3.616 4 HA ILE 1 HA ILE 1 2.144 4.799 -1.525 5 HB ILE 1 HB ILE 1 0.120 5.717 -0.144 6 1HG1 ILE 1 1HG1 ILE 1 0.511 8.113 -1.945 7 2HG1 ILE 1 2HG1 ILE 1 -0.704 6.877 -2.354 8 1HG2 ILE 1 1HG2 ILE 1 2.828 6.466 -0.467 9 2HG2 ILE 1 2HG2 ILE 1 1.916 7.993 -0.400 10 3HG2 ILE 1 3HG2 ILE 1 1.776 6.814 0.926 11 1HD1 ILE 1 1HD1 ILE 1 -1.464 7.149 0.137 12 2HD1 ILE 1 2HD1 ILE 1 -0.569 8.687 0.067 13 3HD1 ILE 1 3HD1 ILE 1 -1.931 8.398 -1.042 14 H CYS 2 H CYS 2 0.164 3.586 -0.312 15 HA CYS 2 HA CYS 2 -1.954 2.864 -2.067 16 1HB CYS 2 1HB CYS 2 0.040 1.588 -2.975 17 2HB CYS 2 2HB CYS 2 0.054 0.689 -1.471 18 H CYS 3 H CYS 3 -3.566 2.885 -0.535 19 HA CYS 3 HA CYS 3 -2.882 2.023 2.154 20 1HB CYS 3 1HB CYS 3 -4.070 4.212 1.647 21 2HB CYS 3 2HB CYS 3 -5.475 3.255 1.220 22 H ASN 4 H ASN 4 -2.677 -0.249 1.045 23 HA ASN 4 HA ASN 4 -5.174 -1.568 1.520 24 1HB ASN 4 1HB ASN 4 -4.373 -0.977 -1.159 25 2HB ASN 4 2HB ASN 4 -4.009 -2.677 -0.933 26 2HD2 ASN 4 1HD2 ASN 4 -5.562 -4.048 -1.324 27 1HD2 ASN 4 2HD2 ASN 4 -7.268 -3.749 -1.278 28 HA PRO 5 HA PRO 5 -2.234 -4.540 2.850 29 1HB PRO 5 1HB PRO 5 -3.752 -6.810 2.978 30 2HB PRO 5 2HB PRO 5 -3.767 -5.574 4.221 31 1HG PRO 5 2HG PRO 5 -5.971 -5.229 3.635 32 2HG PRO 5 1HG PRO 5 -5.799 -6.146 2.151 33 1HD PRO 5 1HD PRO 5 -5.724 -4.169 0.981 34 2HD PRO 5 2HD PRO 5 -5.781 -3.254 2.475 35 H ALA 6 H ALA 6 -4.022 -5.241 -0.043 36 HA ALA 6 HA ALA 6 -2.351 -7.366 -0.862 37 1HB ALA 6 3HB ALA 6 -4.539 -7.210 -1.793 38 2HB ALA 6 1HB ALA 6 -4.303 -5.509 -2.260 39 3HB ALA 6 2HB ALA 6 -3.428 -6.798 -3.121 40 H CYS 7 H CYS 7 -1.763 -4.038 -0.447 41 HA CYS 7 HA CYS 7 -0.125 -3.636 -2.727 42 1HB CYS 7 1HB CYS 7 -0.150 -2.095 -0.124 43 2HB CYS 7 2HB CYS 7 0.536 -1.568 -1.649 44 H GLY 8 H GLY 8 0.211 -4.977 0.545 45 1HA GLY 8 1HA GLY 8 1.957 -5.842 1.673 46 2HA GLY 8 2HA GLY 8 2.504 -6.396 0.104 47 HA PRO 9 HA PRO 9 5.899 -3.738 0.730 48 1HB PRO 9 1HB PRO 9 7.182 -4.136 -1.650 49 2HB PRO 9 2HB PRO 9 7.338 -5.223 -0.284 50 1HG PRO 9 2HG PRO 9 6.310 -6.801 -1.617 51 2HG PRO 9 1HG PRO 9 5.798 -5.593 -2.780 52 1HD PRO 9 1HD PRO 9 3.674 -5.710 -1.911 53 2HD PRO 9 2HD PRO 9 4.214 -6.829 -0.675 54 H LYS 10 H LYS 10 3.283 -3.067 -0.980 55 HA LYS 10 HA LYS 10 4.462 -0.559 -1.959 56 1HB LYS 10 1HB LYS 10 3.575 -2.155 -3.705 57 2HB LYS 10 2HB LYS 10 1.979 -1.931 -3.020 58 1HG LYS 10 1HG LYS 10 2.743 0.689 -3.285 59 2HG LYS 10 2HG LYS 10 3.654 -0.021 -4.604 60 1HD LYS 10 1HD LYS 10 0.991 -1.151 -4.641 61 2HD LYS 10 2HD LYS 10 0.841 0.591 -4.511 62 1HE LYS 10 1HE LYS 10 2.849 0.345 -6.418 63 2HE LYS 10 2HE LYS 10 1.854 -1.054 -6.772 64 1HZ LYS 10 1HZ LYS 10 0.066 0.926 -6.379 65 2HZ LYS 10 2HZ LYS 10 1.275 1.690 -7.164 66 3HZ LYS 10 3HZ LYS 10 0.571 0.377 -7.831 67 H TYR 11 H TYR 11 2.728 -1.951 0.535 68 HA TYR 11 HA TYR 11 0.564 -0.185 0.815 69 1HB TYR 11 1HB TYR 11 0.938 -2.407 1.977 70 2HB TYR 11 2HB TYR 11 2.343 -1.746 2.791 71 HD1 TYR 11 HD1 TYR 11 -1.081 -0.296 2.294 72 HD2 TYR 11 HD2 TYR 11 1.852 -1.712 5.069 73 HE1 TYR 11 HE1 TYR 11 -2.546 0.448 4.234 74 HE2 TYR 11 HE2 TYR 11 0.376 -0.963 6.999 75 HH TYR 11 HH TYR 11 -2.208 -0.624 7.260 76 H SER 12 H SER 12 0.621 1.981 1.126 77 HA SER 12 HA SER 12 2.581 2.967 3.006 78 1HB SER 12 1HB SER 12 2.832 3.330 0.186 79 2HB SER 12 2HB SER 12 2.317 4.876 0.831 80 HG SER 12 HG SER 12 4.395 3.487 2.211 81 H CYS 13 H CYS 13 0.507 2.968 4.284 82 HA CYS 13 HA CYS 13 -0.816 5.508 3.903 83 1HB CYS 13 1HB CYS 13 -2.291 4.144 2.634 84 2HB CYS 13 2HB CYS 13 -2.278 2.871 3.838 No H/Q in entry = 84 Start of MODEL 5 1 H1 ILE 1 H1 ILE 1 0.768 6.319 -3.518 2 H2 ILE 1 H2 ILE 1 2.111 6.902 -2.746 3 H3 ILE 1 H3 ILE 1 2.197 5.488 -3.604 4 HA ILE 1 HA ILE 1 2.131 4.808 -1.441 5 HB ILE 1 HB ILE 1 0.144 5.734 -0.023 6 1HG1 ILE 1 1HG1 ILE 1 -0.429 8.089 -0.662 7 2HG1 ILE 1 2HG1 ILE 1 0.435 7.849 -2.199 8 1HG2 ILE 1 1HG2 ILE 1 2.850 6.539 -0.457 9 2HG2 ILE 1 2HG2 ILE 1 1.890 8.020 -0.230 10 3HG2 ILE 1 3HG2 ILE 1 1.870 6.747 1.013 11 1HD1 ILE 1 1HD1 ILE 1 -1.653 5.834 -1.414 12 2HD1 ILE 1 2HD1 ILE 1 -2.197 7.422 -2.004 13 3HD1 ILE 1 3HD1 ILE 1 -1.167 6.396 -3.033 14 H CYS 2 H CYS 2 0.185 3.575 -0.231 15 HA CYS 2 HA CYS 2 -1.974 2.905 -1.963 16 1HB CYS 2 1HB CYS 2 -0.002 1.621 -2.911 17 2HB CYS 2 2HB CYS 2 0.022 0.705 -1.418 18 H CYS 3 H CYS 3 -3.571 2.909 -0.416 19 HA CYS 3 HA CYS 3 -2.862 2.019 2.255 20 1HB CYS 3 1HB CYS 3 -4.048 4.218 1.778 21 2HB CYS 3 2HB CYS 3 -5.463 3.266 1.367 22 H ASN 4 H ASN 4 -2.678 -0.243 1.126 23 HA ASN 4 HA ASN 4 -5.173 -1.557 1.615 24 1HB ASN 4 1HB ASN 4 -4.404 -0.941 -1.068 25 2HB ASN 4 2HB ASN 4 -4.041 -2.644 -0.863 26 2HD2 ASN 4 1HD2 ASN 4 -5.605 -3.822 -1.643 27 1HD2 ASN 4 2HD2 ASN 4 -7.308 -3.585 -1.436 28 HA PRO 5 HA PRO 5 -2.229 -4.555 2.878 29 1HB PRO 5 1HB PRO 5 -3.754 -6.820 2.998 30 2HB PRO 5 2HB PRO 5 -3.751 -5.600 4.255 31 1HG PRO 5 1HG PRO 5 -5.808 -6.141 2.202 32 2HG PRO 5 2HG PRO 5 -5.960 -5.240 3.698 33 1HD PRO 5 1HD PRO 5 -5.739 -4.152 1.053 34 2HD PRO 5 2HD PRO 5 -5.775 -3.253 2.557 35 H ALA 6 H ALA 6 -4.051 -5.216 -0.002 36 HA ALA 6 HA ALA 6 -2.398 -7.338 -0.863 37 1HB ALA 6 3HB ALA 6 -4.641 -7.090 -1.721 38 2HB ALA 6 1HB ALA 6 -4.297 -5.441 -2.295 39 3HB ALA 6 2HB ALA 6 -3.515 -6.837 -3.075 40 H CYS 7 H CYS 7 -1.795 -4.016 -0.420 41 HA CYS 7 HA CYS 7 -0.180 -3.596 -2.713 42 1HB CYS 7 2HB CYS 7 0.493 -1.539 -1.626 43 2HB CYS 7 1HB CYS 7 -0.177 -2.076 -0.099 44 H GLY 8 H GLY 8 0.182 -4.973 0.537 45 1HA GLY 8 1HA GLY 8 1.939 -5.846 1.645 46 2HA GLY 8 2HA GLY 8 2.468 -6.391 0.065 47 HA PRO 9 HA PRO 9 5.877 -3.747 0.673 48 1HB PRO 9 1HB PRO 9 7.130 -4.127 -1.726 49 2HB PRO 9 2HB PRO 9 7.298 -5.226 -0.371 50 1HG PRO 9 1HG PRO 9 5.728 -5.569 -2.853 51 2HG PRO 9 2HG PRO 9 6.252 -6.789 -1.707 52 1HD PRO 9 1HD PRO 9 3.615 -5.688 -1.959 53 2HD PRO 9 2HD PRO 9 4.166 -6.820 -0.740 54 H LYS 10 H LYS 10 3.242 -3.052 -1.000 55 HA LYS 10 HA LYS 10 4.417 -0.540 -1.971 56 1HB LYS 10 1HB LYS 10 3.493 -2.130 -3.712 57 2HB LYS 10 2HB LYS 10 1.908 -1.880 -3.011 58 1HG LYS 10 1HG LYS 10 2.675 0.724 -3.277 59 2HG LYS 10 2HG LYS 10 3.618 0.025 -4.579 60 1HD LYS 10 1HD LYS 10 0.991 -1.135 -4.726 61 2HD LYS 10 2HD LYS 10 0.777 0.590 -4.508 62 1HE LYS 10 1HE LYS 10 2.901 -0.144 -6.466 63 2HE LYS 10 2HE LYS 10 1.286 -0.637 -6.936 64 1HZ LYS 10 1HZ LYS 10 1.167 1.948 -5.919 65 2HZ LYS 10 2HZ LYS 10 2.368 1.899 -7.025 66 3HZ LYS 10 3HZ LYS 10 0.855 1.444 -7.440 67 H TYR 11 H TYR 11 2.709 -1.949 0.531 68 HA TYR 11 HA TYR 11 0.558 -0.173 0.854 69 1HB TYR 11 1HB TYR 11 0.925 -2.411 1.985 70 2HB TYR 11 2HB TYR 11 2.344 -1.773 2.791 71 HD1 TYR 11 HD1 TYR 11 -1.179 -0.526 2.361 72 HD2 TYR 11 HD2 TYR 11 1.984 -1.525 5.064 73 HE1 TYR 11 HE1 TYR 11 -2.617 0.206 4.326 74 HE2 TYR 11 HE2 TYR 11 0.534 -0.790 7.019 75 HH TYR 11 HH TYR 11 -2.611 -0.525 6.930 76 H SER 12 H SER 12 0.634 1.988 1.192 77 HA SER 12 HA SER 12 2.621 2.936 3.064 78 1HB SER 12 1HB SER 12 2.852 3.330 0.249 79 2HB SER 12 2HB SER 12 2.343 4.871 0.910 80 HG SER 12 HG SER 12 4.797 3.601 1.098 81 H CYS 13 H CYS 13 0.550 2.927 4.356 82 HA CYS 13 HA CYS 13 -0.750 5.487 4.030 83 1HB CYS 13 1HB CYS 13 -2.242 4.153 2.743 84 2HB CYS 13 2HB CYS 13 -2.241 2.866 3.932 No H/Q in entry = 84 Start of MODEL 6 1 H1 ILE 1 H1 ILE 1 0.727 6.347 -3.482 2 H2 ILE 1 H2 ILE 1 2.081 6.914 -2.716 3 H3 ILE 1 H3 ILE 1 2.147 5.500 -3.576 4 HA ILE 1 HA ILE 1 2.088 4.836 -1.401 5 HB ILE 1 HB ILE 1 0.073 5.756 -0.008 6 1HG1 ILE 1 1HG1 ILE 1 -0.487 8.110 -0.653 7 2HG1 ILE 1 2HG1 ILE 1 0.408 7.876 -2.174 8 1HG2 ILE 1 1HG2 ILE 1 2.789 6.593 -0.436 9 2HG2 ILE 1 2HG2 ILE 1 1.799 8.043 -0.141 10 3HG2 ILE 1 3HG2 ILE 1 1.814 6.719 1.048 11 1HD1 ILE 1 1HD1 ILE 1 -1.627 5.796 -1.513 12 2HD1 ILE 1 2HD1 ILE 1 -2.260 7.406 -1.929 13 3HD1 ILE 1 3HD1 ILE 1 -1.218 6.535 -3.081 14 H CYS 2 H CYS 2 0.168 3.571 -0.207 15 HA CYS 2 HA CYS 2 -1.985 2.885 -1.945 16 1HB CYS 2 1HB CYS 2 0.003 1.619 -2.881 17 2HB CYS 2 2HB CYS 2 0.029 0.705 -1.386 18 H CYS 3 H CYS 3 -3.576 2.914 -0.390 19 HA CYS 3 HA CYS 3 -2.874 2.016 2.280 20 1HB CYS 3 1HB CYS 3 -4.061 4.210 1.809 21 2HB CYS 3 2HB CYS 3 -5.471 3.264 1.378 22 H ASN 4 H ASN 4 -2.682 -0.246 1.146 23 HA ASN 4 HA ASN 4 -5.172 -1.568 1.636 24 1HB ASN 4 1HB ASN 4 -4.406 -0.946 -1.048 25 2HB ASN 4 2HB ASN 4 -4.043 -2.648 -0.846 26 2HD2 ASN 4 1HD2 ASN 4 -5.755 -2.792 -2.486 27 1HD2 ASN 4 2HD2 ASN 4 -7.406 -2.916 -1.977 28 HA PRO 5 HA PRO 5 -2.218 -4.557 2.891 29 1HB PRO 5 1HB PRO 5 -3.735 -6.827 3.012 30 2HB PRO 5 2HB PRO 5 -3.734 -5.606 4.271 31 1HG PRO 5 2HG PRO 5 -5.944 -5.253 3.718 32 2HG PRO 5 1HG PRO 5 -5.793 -6.152 2.222 33 1HD PRO 5 1HD PRO 5 -5.733 -4.162 1.074 34 2HD PRO 5 2HD PRO 5 -5.767 -3.264 2.578 35 H ALA 6 H ALA 6 -4.046 -5.225 0.016 36 HA ALA 6 HA ALA 6 -2.388 -7.340 -0.851 37 1HB ALA 6 1HB ALA 6 -4.718 -5.867 -1.733 38 2HB ALA 6 2HB ALA 6 -3.567 -6.040 -3.080 39 3HB ALA 6 3HB ALA 6 -4.159 -7.484 -2.225 40 H CYS 7 H CYS 7 -1.786 -4.022 -0.400 41 HA CYS 7 HA CYS 7 -0.191 -3.581 -2.701 42 1HB CYS 7 1HB CYS 7 -0.155 -2.095 -0.067 43 2HB CYS 7 2HB CYS 7 0.501 -1.540 -1.594 44 H GLY 8 H GLY 8 0.214 -4.967 0.549 45 1HA GLY 8 1HA GLY 8 1.978 -5.868 1.618 46 2HA GLY 8 2HA GLY 8 2.489 -6.395 0.027 47 HA PRO 9 HA PRO 9 5.907 -3.762 0.630 48 1HB PRO 9 1HB PRO 9 7.137 -4.120 -1.785 49 2HB PRO 9 2HB PRO 9 7.317 -5.233 -0.443 50 1HG PRO 9 2HG PRO 9 6.256 -6.780 -1.784 51 2HG PRO 9 1HG PRO 9 5.724 -5.550 -2.912 52 1HD PRO 9 1HD PRO 9 3.618 -5.675 -1.999 53 2HD PRO 9 2HD PRO 9 4.180 -6.820 -0.796 54 H LYS 10 H LYS 10 3.257 -3.049 -1.013 55 HA LYS 10 HA LYS 10 4.426 -0.527 -1.966 56 1HB LYS 10 1HB LYS 10 3.506 -2.077 -3.729 57 2HB LYS 10 2HB LYS 10 1.923 -1.882 -3.006 58 1HG LYS 10 1HG LYS 10 2.656 0.749 -3.223 59 2HG LYS 10 2HG LYS 10 3.551 0.082 -4.573 60 1HD LYS 10 1HD LYS 10 1.246 -1.136 -5.126 61 2HD LYS 10 2HD LYS 10 0.559 0.125 -4.122 62 1HE LYS 10 1HE LYS 10 0.526 1.343 -6.064 63 2HE LYS 10 2HE LYS 10 2.216 1.634 -5.708 64 1HZ LYS 10 1HZ LYS 10 1.243 -0.618 -7.324 65 2HZ LYS 10 2HZ LYS 10 1.831 0.775 -7.940 66 3HZ LYS 10 3HZ LYS 10 2.804 -0.210 -7.075 67 H TYR 11 H TYR 11 2.735 -1.963 0.533 68 HA TYR 11 HA TYR 11 0.575 -0.216 0.893 69 1HB TYR 11 1HB TYR 11 1.018 -2.447 2.024 70 2HB TYR 11 2HB TYR 11 2.422 -1.761 2.818 71 HD1 TYR 11 HD1 TYR 11 1.896 0.433 4.270 72 HD2 TYR 11 HD2 TYR 11 -0.967 -2.568 3.222 73 HE1 TYR 11 HE1 TYR 11 0.438 1.129 6.234 74 HE2 TYR 11 HE2 TYR 11 -2.417 -1.862 5.188 75 HH TYR 11 HH TYR 11 -2.072 0.998 6.745 76 H SER 12 H SER 12 0.622 1.950 1.209 77 HA SER 12 HA SER 12 2.614 2.943 3.052 78 1HB SER 12 1HB SER 12 2.834 3.306 0.240 79 2HB SER 12 2HB SER 12 2.270 4.843 0.865 80 HG SER 12 HG SER 12 4.594 3.379 1.791 81 H CYS 13 H CYS 13 0.563 2.919 4.370 82 HA CYS 13 HA CYS 13 -0.786 5.451 4.031 83 1HB CYS 13 1HB CYS 13 -2.273 4.081 2.781 84 2HB CYS 13 2HB CYS 13 -2.230 2.804 3.980 No H/Q in entry = 84 Start of MODEL 7 1 H1 ILE 1 H1 ILE 1 1.601 5.999 -3.475 2 H2 ILE 1 H2 ILE 1 2.866 6.636 -2.616 3 H3 ILE 1 H3 ILE 1 2.972 5.103 -3.234 4 HA ILE 1 HA ILE 1 2.532 4.635 -1.105 5 HB ILE 1 HB ILE 1 0.777 6.033 0.135 6 1HG1 ILE 1 1HG1 ILE 1 0.557 8.375 -0.856 7 2HG1 ILE 1 2HG1 ILE 1 1.192 7.700 -2.376 8 1HG2 ILE 1 1HG2 ILE 1 3.521 6.358 -0.268 9 2HG2 ILE 1 2HG2 ILE 1 2.863 7.988 -0.546 10 3HG2 ILE 1 3HG2 ILE 1 2.549 7.152 0.994 11 1HD1 ILE 1 1HD1 ILE 1 -0.972 6.084 -1.187 12 2HD1 ILE 1 2HD1 ILE 1 -1.478 7.732 -1.630 13 3HD1 ILE 1 3HD1 ILE 1 -0.767 6.659 -2.859 14 H CYS 2 H CYS 2 0.620 3.537 -0.053 15 HA CYS 2 HA CYS 2 -1.654 3.229 -1.805 16 1HB CYS 2 1HB CYS 2 0.118 1.583 -2.560 17 2HB CYS 2 2HB CYS 2 -0.062 0.790 -1.007 18 H CYS 3 H CYS 3 -3.374 1.861 -0.634 19 HA CYS 3 HA CYS 3 -2.909 1.775 2.241 20 1HB CYS 3 1HB CYS 3 -4.121 3.932 1.360 21 2HB CYS 3 2HB CYS 3 -5.509 2.870 1.233 22 H ASN 4 H ASN 4 -2.658 -0.552 1.312 23 HA ASN 4 HA ASN 4 -5.105 -1.877 1.786 24 1HB ASN 4 1HB ASN 4 -4.530 -1.231 -0.933 25 2HB ASN 4 2HB ASN 4 -4.117 -2.926 -0.772 26 2HD2 ASN 4 1HD2 ASN 4 -6.079 -2.480 -2.404 27 1HD2 ASN 4 2HD2 ASN 4 -7.638 -2.860 -1.752 28 HA PRO 5 HA PRO 5 -2.111 -4.926 2.773 29 1HB PRO 5 1HB PRO 5 -3.541 -7.253 2.672 30 2HB PRO 5 2HB PRO 5 -3.609 -6.144 4.028 31 1HG PRO 5 1HG PRO 5 -5.609 -6.591 1.897 32 2HG PRO 5 2HG PRO 5 -5.823 -5.827 3.460 33 1HD PRO 5 1HD PRO 5 -5.606 -4.510 0.922 34 2HD PRO 5 2HD PRO 5 -5.702 -3.744 2.495 35 H ALA 6 H ALA 6 -3.899 -5.507 -0.161 36 HA ALA 6 HA ALA 6 -2.131 -7.445 -1.170 37 1HB ALA 6 1HB ALA 6 -4.574 -6.599 -1.855 38 2HB ALA 6 3HB ALA 6 -3.485 -7.364 -3.037 39 3HB ALA 6 2HB ALA 6 -3.638 -5.591 -2.984 40 H CYS 7 H CYS 7 -1.852 -4.021 -0.663 41 HA CYS 7 HA CYS 7 -0.158 -3.425 -2.820 42 1HB CYS 7 1HB CYS 7 -0.298 -2.059 -0.126 43 2HB CYS 7 2HB CYS 7 0.376 -1.397 -1.603 44 H GLY 8 H GLY 8 0.234 -4.911 0.390 45 1HA GLY 8 1HA GLY 8 2.024 -5.725 1.489 46 2HA GLY 8 2HA GLY 8 2.587 -6.204 -0.101 47 HA PRO 9 HA PRO 9 5.866 -3.422 0.598 48 1HB PRO 9 1HB PRO 9 7.149 -3.682 -1.801 49 2HB PRO 9 2HB PRO 9 7.361 -4.806 -0.473 50 1HG PRO 9 1HG PRO 9 5.823 -5.159 -2.973 51 2HG PRO 9 2HG PRO 9 6.395 -6.381 -1.856 52 1HD PRO 9 1HD PRO 9 3.712 -5.398 -2.097 53 2HD PRO 9 2HD PRO 9 4.308 -6.534 -0.903 54 H LYS 10 H LYS 10 3.207 -2.799 -1.053 55 HA LYS 10 HA LYS 10 4.278 -0.236 -2.011 56 1HB LYS 10 1HB LYS 10 3.361 -1.764 -3.763 57 2HB LYS 10 2HB LYS 10 1.801 -1.701 -2.968 58 1HG LYS 10 1HG LYS 10 2.485 1.002 -3.179 59 2HG LYS 10 2HG LYS 10 3.130 0.330 -4.663 60 1HD LYS 10 1HD LYS 10 0.327 -0.427 -3.803 61 2HD LYS 10 2HD LYS 10 0.597 1.141 -4.538 62 1HE LYS 10 1HE LYS 10 1.398 0.177 -6.585 63 2HE LYS 10 2HE LYS 10 1.656 -1.392 -5.848 64 1HZ LYS 10 1HZ LYS 10 -1.017 -0.212 -5.980 65 2HZ LYS 10 2HZ LYS 10 -0.408 -1.071 -7.229 66 3HZ LYS 10 3HZ LYS 10 -0.611 -1.780 -5.770 67 H TYR 11 H TYR 11 2.604 -1.758 0.492 68 HA TYR 11 HA TYR 11 0.498 0.067 0.913 69 1HB TYR 11 1HB TYR 11 0.817 -2.269 1.888 70 2HB TYR 11 2HB TYR 11 2.211 -1.693 2.779 71 HD1 TYR 11 HD1 TYR 11 -0.999 0.145 2.349 72 HD2 TYR 11 HD2 TYR 11 1.485 -2.113 5.000 73 HE1 TYR 11 HE1 TYR 11 -2.503 0.770 4.303 74 HE2 TYR 11 HE2 TYR 11 -0.026 -1.481 6.944 75 HH TYR 11 HH TYR 11 -2.607 0.856 6.535 76 H SER 12 H SER 12 0.655 2.195 1.400 77 HA SER 12 HA SER 12 2.534 2.957 3.420 78 1HB SER 12 1HB SER 12 3.230 3.299 0.692 79 2HB SER 12 2HB SER 12 2.731 4.888 1.235 80 HG SER 12 HG SER 12 4.837 4.873 1.841 81 H CYS 13 H CYS 13 0.170 3.039 4.260 82 HA CYS 13 HA CYS 13 -0.720 5.771 3.957 83 1HB CYS 13 1HB CYS 13 -2.107 4.909 2.299 84 2HB CYS 13 2HB CYS 13 -2.361 3.395 3.143 No H/Q in entry = 84 Start of MODEL 8 1 H1 ILE 1 H1 ILE 1 0.917 6.033 -3.812 2 H2 ILE 1 H2 ILE 1 2.054 6.871 -2.947 3 H3 ILE 1 H3 ILE 1 2.455 5.436 -3.670 4 HA ILE 1 HA ILE 1 2.205 4.727 -1.587 5 HB ILE 1 HB ILE 1 0.193 5.702 -0.232 6 1HG1 ILE 1 1HG1 ILE 1 0.629 8.020 -2.137 7 2HG1 ILE 1 2HG1 ILE 1 -0.662 6.826 -2.413 8 1HG2 ILE 1 1HG2 ILE 1 2.915 6.418 -0.572 9 2HG2 ILE 1 2HG2 ILE 1 2.011 7.950 -0.501 10 3HG2 ILE 1 3HG2 ILE 1 1.872 6.774 0.827 11 1HD1 ILE 1 1HD1 ILE 1 -0.554 7.769 0.373 12 2HD1 ILE 1 2HD1 ILE 1 -0.855 9.082 -0.791 13 3HD1 ILE 1 3HD1 ILE 1 -1.939 7.671 -0.742 14 H CYS 2 H CYS 2 0.272 3.497 -0.395 15 HA CYS 2 HA CYS 2 -1.877 2.811 -2.144 16 1HB CYS 2 1HB CYS 2 0.106 1.499 -3.026 17 2HB CYS 2 2HB CYS 2 0.100 0.617 -1.513 18 H CYS 3 H CYS 3 -3.503 2.853 -0.628 19 HA CYS 3 HA CYS 3 -2.843 2.028 2.078 20 1HB CYS 3 1HB CYS 3 -4.020 4.213 1.527 21 2HB CYS 3 2HB CYS 3 -5.425 3.254 1.107 22 H ASN 4 H ASN 4 -2.639 -0.261 1.001 23 HA ASN 4 HA ASN 4 -5.139 -1.566 1.483 24 1HB ASN 4 1HB ASN 4 -4.332 -1.010 -1.202 25 2HB ASN 4 2HB ASN 4 -3.974 -2.707 -0.954 26 2HD2 ASN 4 1HD2 ASN 4 -5.531 -4.078 -1.332 27 1HD2 ASN 4 2HD2 ASN 4 -7.235 -3.773 -1.292 28 HA PRO 5 HA PRO 5 -2.211 -4.531 2.854 29 1HB PRO 5 1HB PRO 5 -3.737 -6.793 3.009 30 2HB PRO 5 2HB PRO 5 -3.750 -5.542 4.237 31 1HG PRO 5 2HG PRO 5 -5.952 -5.198 3.643 32 2HG PRO 5 1HG PRO 5 -5.781 -6.133 2.171 33 1HD PRO 5 1HD PRO 5 -5.698 -4.171 0.976 34 2HD PRO 5 2HD PRO 5 -5.753 -3.237 2.458 35 H ALA 6 H ALA 6 -3.999 -5.263 -0.030 36 HA ALA 6 HA ALA 6 -2.335 -7.403 -0.820 37 1HB ALA 6 1HB ALA 6 -4.713 -6.154 -1.672 38 2HB ALA 6 2HB ALA 6 -3.566 -5.941 -3.017 39 3HB ALA 6 3HB ALA 6 -3.924 -7.573 -2.404 40 H CYS 7 H CYS 7 -1.735 -4.073 -0.447 41 HA CYS 7 HA CYS 7 -0.093 -3.703 -2.729 42 1HB CYS 7 2HB CYS 7 0.575 -1.628 -1.676 43 2HB CYS 7 1HB CYS 7 -0.112 -2.133 -0.145 44 H GLY 8 H GLY 8 0.237 -5.000 0.562 45 1HA GLY 8 1HA GLY 8 1.975 -5.872 1.696 46 2HA GLY 8 2HA GLY 8 2.533 -6.430 0.132 47 HA PRO 9 HA PRO 9 5.920 -3.767 0.781 48 1HB PRO 9 1HB PRO 9 7.231 -4.187 -1.579 49 2HB PRO 9 2HB PRO 9 7.371 -5.260 -0.202 50 1HG PRO 9 2HG PRO 9 6.362 -6.850 -1.533 51 2HG PRO 9 1HG PRO 9 5.862 -5.656 -2.713 52 1HD PRO 9 1HD PRO 9 3.728 -5.766 -1.867 53 2HD PRO 9 2HD PRO 9 4.254 -6.872 -0.615 54 H LYS 10 H LYS 10 3.323 -3.114 -0.967 55 HA LYS 10 HA LYS 10 4.514 -0.618 -1.961 56 1HB LYS 10 1HB LYS 10 3.642 -2.223 -3.699 57 2HB LYS 10 2HB LYS 10 2.040 -2.008 -3.024 58 1HG LYS 10 1HG LYS 10 2.952 0.627 -3.322 59 2HG LYS 10 2HG LYS 10 3.613 -0.181 -4.730 60 1HD LYS 10 1HD LYS 10 1.338 -1.071 -5.287 61 2HD LYS 10 2HD LYS 10 0.678 -0.255 -3.884 62 1HE LYS 10 1HE LYS 10 1.070 1.917 -4.804 63 2HE LYS 10 2HE LYS 10 2.220 1.313 -5.981 64 1HZ LYS 10 1HZ LYS 10 0.121 -0.045 -6.712 65 2HZ LYS 10 2HZ LYS 10 -0.666 1.222 -6.046 66 3HZ LYS 10 3HZ LYS 10 0.395 1.468 -7.262 67 H TYR 11 H TYR 11 2.768 -1.974 0.541 68 HA TYR 11 HA TYR 11 0.603 -0.198 0.784 69 1HB TYR 11 1HB TYR 11 0.951 -2.409 1.970 70 2HB TYR 11 2HB TYR 11 2.358 -1.756 2.785 71 HD1 TYR 11 HD1 TYR 11 -1.214 -0.676 2.294 72 HD2 TYR 11 HD2 TYR 11 2.021 -1.300 5.025 73 HE1 TYR 11 HE1 TYR 11 -2.681 0.098 4.220 74 HE2 TYR 11 HE2 TYR 11 0.541 -0.524 6.942 75 HH TYR 11 HH TYR 11 -2.265 1.146 6.491 76 H SER 12 H SER 12 0.671 1.970 1.074 77 HA SER 12 HA SER 12 2.619 2.963 2.965 78 1HB SER 12 1HB SER 12 2.919 3.287 0.151 79 2HB SER 12 2HB SER 12 2.375 4.842 0.752 80 HG SER 12 HG SER 12 4.227 5.130 1.844 81 H CYS 13 H CYS 13 0.530 2.987 4.220 82 HA CYS 13 HA CYS 13 -0.772 5.531 3.805 83 1HB CYS 13 1HB CYS 13 -2.238 4.159 2.529 84 2HB CYS 13 2HB CYS 13 -2.255 2.904 3.752 No H/Q in entry = 84 Start of MODEL 9 1 H1 ILE 1 H1 ILE 1 0.715 6.160 -3.663 2 H2 ILE 1 H2 ILE 1 1.870 6.987 -2.813 3 H3 ILE 1 H3 ILE 1 2.259 5.566 -3.568 4 HA ILE 1 HA ILE 1 2.064 4.830 -1.486 5 HB ILE 1 HB ILE 1 0.062 5.761 -0.082 6 1HG1 ILE 1 1HG1 ILE 1 0.439 8.119 -1.948 7 2HG1 ILE 1 2HG1 ILE 1 -0.831 6.908 -2.242 8 1HG2 ILE 1 1HG2 ILE 1 2.772 6.570 -0.515 9 2HG2 ILE 1 2HG2 ILE 1 1.804 8.046 -0.284 10 3HG2 ILE 1 3HG2 ILE 1 1.790 6.769 0.955 11 1HD1 ILE 1 1HD1 ILE 1 -1.284 7.342 0.378 12 2HD1 ILE 1 2HD1 ILE 1 -0.576 8.921 -0.037 13 3HD1 ILE 1 3HD1 ILE 1 -2.028 8.345 -0.890 14 H CYS 2 H CYS 2 0.158 3.569 -0.273 15 HA CYS 2 HA CYS 2 -2.012 2.878 -1.987 16 1HB CYS 2 1HB CYS 2 -0.035 1.608 -2.938 17 2HB CYS 2 2HB CYS 2 0.007 0.700 -1.439 18 H CYS 3 H CYS 3 -3.597 2.888 -0.426 19 HA CYS 3 HA CYS 3 -2.867 2.016 2.245 20 1HB CYS 3 1HB CYS 3 -4.079 4.198 1.762 21 2HB CYS 3 2HB CYS 3 -5.484 3.231 1.360 22 H ASN 4 H ASN 4 -2.664 -0.250 1.119 23 HA ASN 4 HA ASN 4 -5.141 -1.590 1.635 24 1HB ASN 4 1HB ASN 4 -4.385 -0.984 -1.059 25 2HB ASN 4 2HB ASN 4 -4.025 -2.685 -0.842 26 2HD2 ASN 4 1HD2 ASN 4 -5.931 -1.958 -2.593 27 1HD2 ASN 4 2HD2 ASN 4 -7.516 -2.380 -2.036 28 HA PRO 5 HA PRO 5 -2.151 -4.541 2.897 29 1HB PRO 5 1HB PRO 5 -3.654 -6.818 3.064 30 2HB PRO 5 2HB PRO 5 -3.645 -5.583 4.307 31 1HG PRO 5 2HG PRO 5 -5.864 -5.249 3.775 32 2HG PRO 5 1HG PRO 5 -5.724 -6.166 2.288 33 1HD PRO 5 1HD PRO 5 -5.689 -4.189 1.116 34 2HD PRO 5 2HD PRO 5 -5.712 -3.273 2.609 35 H ALA 6 H ALA 6 -4.003 -5.246 0.049 36 HA ALA 6 HA ALA 6 -2.348 -7.366 -0.812 37 1HB ALA 6 3HB ALA 6 -4.608 -7.128 -1.639 38 2HB ALA 6 1HB ALA 6 -4.265 -5.492 -2.251 39 3HB ALA 6 2HB ALA 6 -3.496 -6.906 -3.010 40 H CYS 7 H CYS 7 -1.760 -4.036 -0.409 41 HA CYS 7 HA CYS 7 -0.172 -3.632 -2.725 42 1HB CYS 7 2HB CYS 7 0.502 -1.560 -1.667 43 2HB CYS 7 1HB CYS 7 -0.150 -2.085 -0.128 44 H GLY 8 H GLY 8 0.236 -4.963 0.542 45 1HA GLY 8 1HA GLY 8 2.004 -5.832 1.631 46 2HA GLY 8 2HA GLY 8 2.536 -6.366 0.048 47 HA PRO 9 HA PRO 9 5.911 -3.679 0.665 48 1HB PRO 9 1HB PRO 9 7.178 -4.055 -1.727 49 2HB PRO 9 2HB PRO 9 7.355 -5.146 -0.367 50 1HG PRO 9 2HG PRO 9 6.334 -6.728 -1.698 51 2HG PRO 9 1HG PRO 9 5.800 -5.522 -2.852 52 1HD PRO 9 1HD PRO 9 3.684 -5.664 -1.965 53 2HD PRO 9 2HD PRO 9 4.245 -6.782 -0.738 54 H LYS 10 H LYS 10 3.272 -3.028 -1.021 55 HA LYS 10 HA LYS 10 4.419 -0.508 -2.008 56 1HB LYS 10 1HB LYS 10 3.519 -2.106 -3.744 57 2HB LYS 10 2HB LYS 10 1.932 -1.899 -3.035 58 1HG LYS 10 1HG LYS 10 2.643 0.727 -3.303 59 2HG LYS 10 2HG LYS 10 3.573 0.044 -4.622 60 1HD LYS 10 1HD LYS 10 1.053 -1.210 -4.842 61 2HD LYS 10 2HD LYS 10 0.668 0.443 -4.407 62 1HE LYS 10 1HE LYS 10 0.982 0.983 -6.592 63 2HE LYS 10 2HE LYS 10 2.697 0.746 -6.324 64 1HZ LYS 10 1HZ LYS 10 0.961 -1.523 -6.938 65 2HZ LYS 10 2HZ LYS 10 1.575 -0.592 -8.131 66 3HZ LYS 10 3HZ LYS 10 2.578 -1.399 -7.126 67 H TYR 11 H TYR 11 2.738 -1.912 0.511 68 HA TYR 11 HA TYR 11 0.566 -0.158 0.824 69 1HB TYR 11 1HB TYR 11 0.952 -2.380 1.974 70 2HB TYR 11 2HB TYR 11 2.375 -1.728 2.763 71 HD1 TYR 11 HD1 TYR 11 -1.210 -0.653 2.371 72 HD2 TYR 11 HD2 TYR 11 2.085 -1.313 5.019 73 HE1 TYR 11 HE1 TYR 11 -2.635 0.086 4.343 74 HE2 TYR 11 HE2 TYR 11 0.649 -0.571 6.981 75 HH TYR 11 HH TYR 11 -2.604 0.693 6.455 76 H SER 12 H SER 12 0.615 2.005 1.150 77 HA SER 12 HA SER 12 2.600 2.991 3.005 78 1HB SER 12 1HB SER 12 2.830 3.358 0.192 79 2HB SER 12 2HB SER 12 2.276 4.896 0.822 80 HG SER 12 HG SER 12 4.559 4.862 0.891 81 H CYS 13 H CYS 13 0.550 2.977 4.317 82 HA CYS 13 HA CYS 13 -0.793 5.511 3.971 83 1HB CYS 13 1HB CYS 13 -2.279 4.140 2.718 84 2HB CYS 13 2HB CYS 13 -2.246 2.868 3.924 No H/Q in entry = 84 Start of MODEL 10 1 H1 ILE 1 H1 ILE 1 0.873 6.257 -3.634 2 H2 ILE 1 H2 ILE 1 2.211 6.845 -2.856 3 H3 ILE 1 H3 ILE 1 2.301 5.421 -3.695 4 HA ILE 1 HA ILE 1 2.212 4.767 -1.526 5 HB ILE 1 HB ILE 1 0.212 5.718 -0.140 6 1HG1 ILE 1 2HG1 ILE 1 0.547 7.815 -2.327 7 2HG1 ILE 1 1HG1 ILE 1 -0.348 8.063 -0.809 8 1HG2 ILE 1 1HG2 ILE 1 2.890 6.305 -0.302 9 2HG2 ILE 1 2HG2 ILE 1 2.167 7.906 -0.592 10 3HG2 ILE 1 3HG2 ILE 1 1.780 7.010 0.897 11 1HD1 ILE 1 1HD1 ILE 1 -1.502 5.752 -1.636 12 2HD1 ILE 1 2HD1 ILE 1 -2.115 7.358 -2.098 13 3HD1 ILE 1 3HD1 ILE 1 -1.072 6.449 -3.217 14 H CYS 2 H CYS 2 0.248 3.557 -0.319 15 HA CYS 2 HA CYS 2 -1.895 2.872 -2.065 16 1HB CYS 2 1HB CYS 2 0.081 1.567 -2.973 17 2HB CYS 2 2HB CYS 2 0.085 0.672 -1.467 18 H CYS 3 H CYS 3 -3.510 2.900 -0.537 19 HA CYS 3 HA CYS 3 -2.834 2.045 2.154 20 1HB CYS 3 1HB CYS 3 -4.008 4.242 1.631 21 2HB CYS 3 2HB CYS 3 -5.420 3.290 1.223 22 H ASN 4 H ASN 4 -2.646 -0.232 1.056 23 HA ASN 4 HA ASN 4 -5.152 -1.530 1.537 24 1HB ASN 4 1HB ASN 4 -4.352 -0.953 -1.145 25 2HB ASN 4 2HB ASN 4 -3.998 -2.654 -0.915 26 2HD2 ASN 4 1HD2 ASN 4 -5.557 -3.926 -1.525 27 1HD2 ASN 4 2HD2 ASN 4 -7.262 -3.648 -1.398 28 HA PRO 5 HA PRO 5 -2.234 -4.522 2.871 29 1HB PRO 5 1HB PRO 5 -3.768 -6.780 3.003 30 2HB PRO 5 2HB PRO 5 -3.775 -5.543 4.245 31 1HG PRO 5 1HG PRO 5 -5.811 -6.104 2.177 32 2HG PRO 5 2HG PRO 5 -5.975 -5.183 3.658 33 1HD PRO 5 1HD PRO 5 -5.722 -4.130 1.002 34 2HD PRO 5 2HD PRO 5 -5.770 -3.211 2.494 35 H ALA 6 H ALA 6 -4.026 -5.215 -0.020 36 HA ALA 6 HA ALA 6 -2.370 -7.352 -0.835 37 1HB ALA 6 1HB ALA 6 -4.780 -6.358 -1.601 38 2HB ALA 6 3HB ALA 6 -3.792 -7.429 -2.623 39 3HB ALA 6 2HB ALA 6 -3.743 -5.668 -2.874 40 H CYS 7 H CYS 7 -1.760 -4.029 -0.426 41 HA CYS 7 HA CYS 7 -0.121 -3.642 -2.709 42 1HB CYS 7 2HB CYS 7 0.550 -1.575 -1.639 43 2HB CYS 7 1HB CYS 7 -0.137 -2.092 -0.112 44 H GLY 8 H GLY 8 0.206 -4.979 0.563 45 1HA GLY 8 1HA GLY 8 1.947 -5.847 1.697 46 2HA GLY 8 2HA GLY 8 2.490 -6.412 0.131 47 HA PRO 9 HA PRO 9 5.903 -3.774 0.739 48 1HB PRO 9 1HB PRO 9 7.179 -4.190 -1.641 49 2HB PRO 9 2HB PRO 9 7.330 -5.273 -0.271 50 1HG PRO 9 2HG PRO 9 6.290 -6.847 -1.598 51 2HG PRO 9 1HG PRO 9 5.783 -5.641 -2.764 52 1HD PRO 9 1HD PRO 9 3.660 -5.740 -1.890 53 2HD PRO 9 2HD PRO 9 4.195 -6.858 -0.651 54 H LYS 10 H LYS 10 3.287 -3.092 -0.970 55 HA LYS 10 HA LYS 10 4.483 -0.596 -1.959 56 1HB LYS 10 1HB LYS 10 3.585 -2.186 -3.700 57 2HB LYS 10 2HB LYS 10 1.991 -1.962 -3.009 58 1HG LYS 10 1HG LYS 10 2.776 0.661 -3.280 59 2HG LYS 10 2HG LYS 10 3.646 -0.064 -4.617 60 1HD LYS 10 1HD LYS 10 1.359 -1.225 -5.194 61 2HD LYS 10 2HD LYS 10 0.648 -0.030 -4.128 62 1HE LYS 10 1HE LYS 10 2.538 1.245 -5.964 63 2HE LYS 10 2HE LYS 10 1.352 0.316 -6.859 64 1HZ LYS 10 1HZ LYS 10 -0.350 1.447 -5.479 65 2HZ LYS 10 2HZ LYS 10 0.819 2.426 -4.892 66 3HZ LYS 10 3HZ LYS 10 0.466 2.440 -6.487 67 H TYR 11 H TYR 11 2.745 -1.966 0.543 68 HA TYR 11 HA TYR 11 0.596 -0.179 0.821 69 1HB TYR 11 1HB TYR 11 0.947 -2.404 1.985 70 2HB TYR 11 2HB TYR 11 2.358 -1.757 2.798 71 HD1 TYR 11 HD1 TYR 11 -1.053 -0.277 2.298 72 HD2 TYR 11 HD2 TYR 11 1.868 -1.712 5.076 73 HE1 TYR 11 HE1 TYR 11 -2.512 0.483 4.237 74 HE2 TYR 11 HE2 TYR 11 0.399 -0.947 7.004 75 HH TYR 11 HH TYR 11 -1.489 -0.084 7.594 76 H SER 12 H SER 12 0.675 1.986 1.131 77 HA SER 12 HA SER 12 2.647 2.953 3.010 78 1HB SER 12 1HB SER 12 2.906 3.309 0.190 79 2HB SER 12 2HB SER 12 2.398 4.860 0.829 80 HG SER 12 HG SER 12 4.621 4.881 1.005 81 H CYS 13 H CYS 13 0.563 2.968 4.281 82 HA CYS 13 HA CYS 13 -0.726 5.527 3.907 83 1HB CYS 13 1HB CYS 13 -2.209 4.180 2.623 84 2HB CYS 13 2HB CYS 13 -2.225 2.910 3.829 No H/Q in entry = 84 Start of MODEL 11 1 H1 ILE 1 H1 ILE 1 0.740 6.306 -3.555 2 H2 ILE 1 H2 ILE 1 2.086 6.901 -2.796 3 H3 ILE 1 H3 ILE 1 2.173 5.482 -3.645 4 HA ILE 1 HA ILE 1 2.125 4.816 -1.478 5 HB ILE 1 HB ILE 1 0.137 5.742 -0.055 6 1HG1 ILE 1 1HG1 ILE 1 -0.452 8.086 -0.702 7 2HG1 ILE 1 2HG1 ILE 1 0.422 7.854 -2.234 8 1HG2 ILE 1 1HG2 ILE 1 2.841 6.541 -0.495 9 2HG2 ILE 1 2HG2 ILE 1 1.885 8.029 -0.290 10 3HG2 ILE 1 3HG2 ILE 1 1.858 6.773 0.971 11 1HD1 ILE 1 1HD1 ILE 1 -1.600 5.771 -1.525 12 2HD1 ILE 1 2HD1 ILE 1 -2.233 7.374 -1.969 13 3HD1 ILE 1 3HD1 ILE 1 -1.199 6.479 -3.108 14 H CYS 2 H CYS 2 0.175 3.596 -0.241 15 HA CYS 2 HA CYS 2 -1.986 2.899 -1.956 16 1HB CYS 2 1HB CYS 2 -0.016 1.619 -2.910 17 2HB CYS 2 2HB CYS 2 0.024 0.711 -1.412 18 H CYS 3 H CYS 3 -3.570 2.908 -0.395 19 HA CYS 3 HA CYS 3 -2.836 2.035 2.276 20 1HB CYS 3 1HB CYS 3 -4.035 4.226 1.795 21 2HB CYS 3 2HB CYS 3 -5.449 3.268 1.402 22 H ASN 4 H ASN 4 -2.654 -0.231 1.152 23 HA ASN 4 HA ASN 4 -5.139 -1.553 1.670 24 1HB ASN 4 1HB ASN 4 -4.392 -0.949 -1.022 25 2HB ASN 4 2HB ASN 4 -4.023 -2.649 -0.810 26 2HD2 ASN 4 1HD2 ASN 4 -5.875 -2.193 -2.564 27 1HD2 ASN 4 2HD2 ASN 4 -7.478 -2.530 -2.001 28 HA PRO 5 HA PRO 5 -2.176 -4.531 2.929 29 1HB PRO 5 1HB PRO 5 -3.692 -6.801 3.076 30 2HB PRO 5 2HB PRO 5 -3.683 -5.571 4.325 31 1HG PRO 5 2HG PRO 5 -5.896 -5.223 3.784 32 2HG PRO 5 1HG PRO 5 -5.754 -6.133 2.293 33 1HD PRO 5 1HD PRO 5 -5.702 -4.151 1.131 34 2HD PRO 5 2HD PRO 5 -5.727 -3.242 2.629 35 H ALA 6 H ALA 6 -4.019 -5.217 0.068 36 HA ALA 6 HA ALA 6 -2.366 -7.338 -0.793 37 1HB ALA 6 3HB ALA 6 -4.602 -7.130 -1.650 38 2HB ALA 6 1HB ALA 6 -4.305 -5.462 -2.195 39 3HB ALA 6 2HB ALA 6 -3.496 -6.822 -3.010 40 H CYS 7 H CYS 7 -1.769 -4.013 -0.375 41 HA CYS 7 HA CYS 7 -0.175 -3.602 -2.685 42 1HB CYS 7 2HB CYS 7 0.503 -1.537 -1.615 43 2HB CYS 7 1HB CYS 7 -0.155 -2.066 -0.080 44 H GLY 8 H GLY 8 0.220 -4.957 0.572 45 1HA GLY 8 1HA GLY 8 1.987 -5.821 1.668 46 2HA GLY 8 2HA GLY 8 2.507 -6.370 0.088 47 HA PRO 9 HA PRO 9 5.909 -3.711 0.659 48 1HB PRO 9 1HB PRO 9 7.147 -4.098 -1.746 49 2HB PRO 9 2HB PRO 9 7.330 -5.190 -0.387 50 1HG PRO 9 1HG PRO 9 5.744 -5.552 -2.856 51 2HG PRO 9 2HG PRO 9 6.279 -6.763 -1.708 52 1HD PRO 9 1HD PRO 9 3.637 -5.674 -1.946 53 2HD PRO 9 2HD PRO 9 4.201 -6.798 -0.726 54 H LYS 10 H LYS 10 3.260 -3.036 -1.000 55 HA LYS 10 HA LYS 10 4.419 -0.524 -1.992 56 1HB LYS 10 1HB LYS 10 3.508 -2.098 -3.733 57 2HB LYS 10 2HB LYS 10 1.924 -1.911 -3.007 58 1HG LYS 10 1HG LYS 10 2.673 0.730 -3.263 59 2HG LYS 10 2HG LYS 10 3.505 0.027 -4.636 60 1HD LYS 10 1HD LYS 10 1.203 -1.155 -5.137 61 2HD LYS 10 2HD LYS 10 0.526 0.042 -4.049 62 1HE LYS 10 1HE LYS 10 0.344 1.223 -6.039 63 2HE LYS 10 2HE LYS 10 1.950 1.741 -5.564 64 1HZ LYS 10 1HZ LYS 10 2.429 -0.548 -6.867 65 2HZ LYS 10 2HZ LYS 10 1.170 0.050 -7.718 66 3HZ LYS 10 3HZ LYS 10 2.527 0.940 -7.533 67 H TYR 11 H TYR 11 2.735 -1.926 0.530 68 HA TYR 11 HA TYR 11 0.578 -0.156 0.859 69 1HB TYR 11 1HB TYR 11 0.965 -2.385 2.001 70 2HB TYR 11 2HB TYR 11 2.388 -1.737 2.791 71 HD1 TYR 11 HD1 TYR 11 -1.201 -0.673 2.403 72 HD2 TYR 11 HD2 TYR 11 2.103 -1.311 5.045 73 HE1 TYR 11 HE1 TYR 11 -2.627 0.065 4.375 74 HE2 TYR 11 HE2 TYR 11 0.666 -0.571 7.008 75 HH TYR 11 HH TYR 11 -2.489 -0.524 7.014 76 H SER 12 H SER 12 0.648 2.007 1.183 77 HA SER 12 HA SER 12 2.645 2.975 3.035 78 1HB SER 12 1HB SER 12 2.852 3.353 0.213 79 2HB SER 12 2HB SER 12 2.348 4.897 0.874 80 HG SER 12 HG SER 12 4.812 3.916 0.855 81 H CYS 13 H CYS 13 0.589 2.973 4.345 82 HA CYS 13 HA CYS 13 -0.728 5.521 4.007 83 1HB CYS 13 1HB CYS 13 -2.225 4.169 2.748 84 2HB CYS 13 2HB CYS 13 -2.206 2.892 3.948 No H/Q in entry = 84 Start of MODEL 12 1 H1 ILE 1 H1 ILE 1 1.691 5.711 -3.620 2 H2 ILE 1 H2 ILE 1 2.883 6.469 -2.755 3 H3 ILE 1 H3 ILE 1 3.065 4.885 -3.206 4 HA ILE 1 HA ILE 1 2.477 4.550 -1.109 5 HB ILE 1 HB ILE 1 0.810 6.086 0.018 6 1HG1 ILE 1 1HG1 ILE 1 0.695 8.374 -1.258 7 2HG1 ILE 1 2HG1 ILE 1 1.033 7.390 -2.703 8 1HG2 ILE 1 1HG2 ILE 1 3.505 6.334 -0.333 9 2HG2 ILE 1 2HG2 ILE 1 2.951 7.887 -1.003 10 3HG2 ILE 1 3HG2 ILE 1 2.537 7.442 0.670 11 1HD1 ILE 1 1HD1 ILE 1 -0.967 6.027 -1.172 12 2HD1 ILE 1 2HD1 ILE 1 -1.463 7.731 -1.310 13 3HD1 ILE 1 3HD1 ILE 1 -1.133 6.778 -2.777 14 H CYS 2 H CYS 2 0.756 3.265 -0.237 15 HA CYS 2 HA CYS 2 -1.588 3.058 -1.952 16 1HB CYS 2 1HB CYS 2 0.171 1.368 -2.634 17 2HB CYS 2 2HB CYS 2 -0.045 0.619 -1.065 18 H CYS 3 H CYS 3 -3.321 1.676 -0.769 19 HA CYS 3 HA CYS 3 -2.911 1.694 2.114 20 1HB CYS 3 1HB CYS 3 -4.116 3.822 1.128 21 2HB CYS 3 2HB CYS 3 -5.501 2.752 1.048 22 H ASN 4 H ASN 4 -2.648 -0.658 1.240 23 HA ASN 4 HA ASN 4 -5.100 -1.969 1.726 24 1HB ASN 4 1HB ASN 4 -4.497 -1.395 -1.005 25 2HB ASN 4 2HB ASN 4 -4.096 -3.087 -0.795 26 2HD2 ASN 4 1HD2 ASN 4 -6.581 -0.875 0.491 27 1HD2 ASN 4 2HD2 ASN 4 -7.960 -1.852 0.112 28 HA PRO 5 HA PRO 5 -2.119 -4.997 2.811 29 1HB PRO 5 1HB PRO 5 -3.548 -7.326 2.748 30 2HB PRO 5 2HB PRO 5 -3.630 -6.186 4.078 31 1HG PRO 5 2HG PRO 5 -5.837 -5.883 3.480 32 2HG PRO 5 1HG PRO 5 -5.608 -6.682 1.937 33 1HD PRO 5 1HD PRO 5 -5.594 -4.624 0.914 34 2HD PRO 5 2HD PRO 5 -5.707 -3.823 2.469 35 H ALA 6 H ALA 6 -3.879 -5.651 -0.125 36 HA ALA 6 HA ALA 6 -2.100 -7.609 -1.072 37 1HB ALA 6 1HB ALA 6 -4.482 -6.238 -1.910 38 2HB ALA 6 2HB ALA 6 -3.295 -6.167 -3.234 39 3HB ALA 6 3HB ALA 6 -3.778 -7.741 -2.556 40 H CYS 7 H CYS 7 -1.830 -4.172 -0.648 41 HA CYS 7 HA CYS 7 -0.102 -3.639 -2.798 42 1HB CYS 7 2HB CYS 7 0.403 -1.569 -1.639 43 2HB CYS 7 1HB CYS 7 -0.299 -2.182 -0.154 44 H GLY 8 H GLY 8 0.234 -5.009 0.471 45 1HA GLY 8 1HA GLY 8 2.006 -5.774 1.632 46 2HA GLY 8 2HA GLY 8 2.598 -6.312 0.073 47 HA PRO 9 HA PRO 9 5.860 -3.497 0.721 48 1HB PRO 9 1HB PRO 9 7.183 -3.843 -1.645 49 2HB PRO 9 2HB PRO 9 7.374 -4.918 -0.273 50 1HG PRO 9 1HG PRO 9 5.879 -5.365 -2.784 51 2HG PRO 9 2HG PRO 9 6.435 -6.544 -1.612 52 1HD PRO 9 1HD PRO 9 3.754 -5.577 -1.935 53 2HD PRO 9 2HD PRO 9 4.332 -6.666 -0.690 54 H LYS 10 H LYS 10 3.227 -2.941 -0.996 55 HA LYS 10 HA LYS 10 4.309 -0.415 -2.034 56 1HB LYS 10 1HB LYS 10 3.417 -2.009 -3.739 57 2HB LYS 10 2HB LYS 10 1.847 -1.920 -2.965 58 1HG LYS 10 1HG LYS 10 2.539 0.777 -3.272 59 2HG LYS 10 2HG LYS 10 3.186 0.043 -4.725 60 1HD LYS 10 1HD LYS 10 0.991 -0.951 -5.259 61 2HD LYS 10 2HD LYS 10 0.323 -0.371 -3.745 62 1HE LYS 10 1HE LYS 10 -0.052 1.713 -4.592 63 2HE LYS 10 2HE LYS 10 1.565 1.820 -5.258 64 1HZ LYS 10 1HZ LYS 10 -0.635 0.317 -6.497 65 2HZ LYS 10 2HZ LYS 10 -0.166 1.816 -6.945 66 3HZ LYS 10 3HZ LYS 10 0.851 0.552 -7.134 67 H TYR 11 H TYR 11 2.612 -1.837 0.509 68 HA TYR 11 HA TYR 11 0.506 0.016 0.827 69 1HB TYR 11 1HB TYR 11 0.779 -2.296 1.874 70 2HB TYR 11 2HB TYR 11 2.159 -1.707 2.778 71 HD1 TYR 11 HD1 TYR 11 -1.009 0.166 2.229 72 HD2 TYR 11 HD2 TYR 11 1.370 -2.072 4.991 73 HE1 TYR 11 HE1 TYR 11 -2.547 0.862 4.130 74 HE2 TYR 11 HE2 TYR 11 -0.175 -1.368 6.883 75 HH TYR 11 HH TYR 11 -2.998 -0.503 6.672 76 H SER 12 H SER 12 0.662 2.151 1.283 77 HA SER 12 HA SER 12 2.535 2.945 3.299 78 1HB SER 12 1HB SER 12 3.327 3.176 0.628 79 2HB SER 12 2HB SER 12 2.701 4.774 0.987 80 HG SER 12 HG SER 12 5.044 4.369 1.477 81 H CYS 13 H CYS 13 0.108 3.006 4.055 82 HA CYS 13 HA CYS 13 -0.734 5.754 3.768 83 1HB CYS 13 1HB CYS 13 -2.074 4.948 2.048 84 2HB CYS 13 2HB CYS 13 -2.370 3.416 2.845 No H/Q in entry = 84 Start of MODEL 13 1 H1 ILE 1 H1 ILE 1 0.980 6.219 -3.527 2 H2 ILE 1 H2 ILE 1 2.152 6.983 -2.640 3 H3 ILE 1 H3 ILE 1 2.460 5.506 -3.323 4 HA ILE 1 HA ILE 1 2.085 4.855 -1.243 5 HB ILE 1 HB ILE 1 0.126 6.022 0.037 6 1HG1 ILE 1 1HG1 ILE 1 0.808 8.319 -1.798 7 2HG1 ILE 1 2HG1 ILE 1 -0.483 7.183 -2.256 8 1HG2 ILE 1 1HG2 ILE 1 2.919 6.559 -0.300 9 2HG2 ILE 1 2HG2 ILE 1 2.084 8.123 -0.146 10 3HG2 ILE 1 3HG2 ILE 1 1.900 6.887 1.122 11 1HD1 ILE 1 1HD1 ILE 1 -0.819 7.838 0.518 12 2HD1 ILE 1 2HD1 ILE 1 -0.606 9.357 -0.384 13 3HD1 ILE 1 3HD1 ILE 1 -1.898 8.221 -0.845 14 H CYS 2 H CYS 2 0.523 3.321 -0.379 15 HA CYS 2 HA CYS 2 -1.836 2.960 -2.039 16 1HB CYS 2 1HB CYS 2 0.089 1.595 -2.964 17 2HB CYS 2 2HB CYS 2 0.045 0.666 -1.478 18 H CYS 3 H CYS 3 -3.493 2.937 -0.561 19 HA CYS 3 HA CYS 3 -2.870 2.077 2.141 20 1HB CYS 3 1HB CYS 3 -4.058 4.264 1.579 21 2HB CYS 3 2HB CYS 3 -5.454 3.289 1.164 22 H ASN 4 H ASN 4 -2.639 -0.197 1.038 23 HA ASN 4 HA ASN 4 -5.123 -1.531 1.494 24 1HB ASN 4 1HB ASN 4 -4.350 -0.904 -1.188 25 2HB ASN 4 2HB ASN 4 -3.989 -2.607 -0.984 26 2HD2 ASN 4 1HD2 ASN 4 -5.552 -3.768 -1.794 27 1HD2 ASN 4 2HD2 ASN 4 -7.255 -3.535 -1.580 28 HA PRO 5 HA PRO 5 -2.146 -4.496 2.756 29 1HB PRO 5 1HB PRO 5 -3.656 -6.769 2.902 30 2HB PRO 5 2HB PRO 5 -3.650 -5.541 4.152 31 1HG PRO 5 2HG PRO 5 -5.866 -5.197 3.612 32 2HG PRO 5 1HG PRO 5 -5.721 -6.106 2.121 33 1HD PRO 5 1HD PRO 5 -5.674 -4.123 0.959 34 2HD PRO 5 2HD PRO 5 -5.701 -3.215 2.458 35 H ALA 6 H ALA 6 -3.988 -5.181 -0.104 36 HA ALA 6 HA ALA 6 -2.333 -7.300 -0.969 37 1HB ALA 6 3HB ALA 6 -4.294 -7.381 -2.123 38 2HB ALA 6 1HB ALA 6 -4.550 -5.623 -2.012 39 3HB ALA 6 2HB ALA 6 -3.455 -6.286 -3.248 40 H CYS 7 H CYS 7 -1.734 -3.978 -0.541 41 HA CYS 7 HA CYS 7 -0.135 -3.564 -2.849 42 1HB CYS 7 2HB CYS 7 0.538 -1.499 -1.776 43 2HB CYS 7 1HB CYS 7 -0.123 -2.030 -0.243 44 H GLY 8 H GLY 8 0.252 -4.910 0.415 45 1HA GLY 8 1HA GLY 8 2.005 -5.810 1.499 46 2HA GLY 8 2HA GLY 8 2.565 -6.304 -0.086 47 HA PRO 9 HA PRO 9 5.911 -3.611 0.651 48 1HB PRO 9 1HB PRO 9 7.233 -3.946 -1.717 49 2HB PRO 9 2HB PRO 9 7.388 -5.054 -0.369 50 1HG PRO 9 2HG PRO 9 6.406 -6.623 -1.744 51 2HG PRO 9 1HG PRO 9 5.890 -5.405 -2.892 52 1HD PRO 9 1HD PRO 9 3.756 -5.572 -2.055 53 2HD PRO 9 2HD PRO 9 4.297 -6.704 -0.831 54 H LYS 10 H LYS 10 3.308 -2.953 -1.086 55 HA LYS 10 HA LYS 10 4.462 -0.418 -2.023 56 1HB LYS 10 1HB LYS 10 3.608 -1.957 -3.804 57 2HB LYS 10 2HB LYS 10 2.010 -1.847 -3.092 58 1HG LYS 10 1HG LYS 10 2.776 0.838 -3.297 59 2HG LYS 10 2HG LYS 10 3.472 0.129 -4.741 60 1HD LYS 10 1HD LYS 10 0.613 -0.549 -4.010 61 2HD LYS 10 2HD LYS 10 0.955 1.007 -4.740 62 1HE LYS 10 1HE LYS 10 1.164 0.066 -6.794 63 2HE LYS 10 2HE LYS 10 2.384 -1.050 -6.211 64 1HZ LYS 10 1HZ LYS 10 0.323 -2.226 -5.214 65 2HZ LYS 10 2HZ LYS 10 -0.489 -1.424 -6.382 66 3HZ LYS 10 3HZ LYS 10 0.715 -2.452 -6.783 67 H TYR 11 H TYR 11 2.763 -1.843 0.470 68 HA TYR 11 HA TYR 11 0.587 -0.085 0.772 69 1HB TYR 11 1HB TYR 11 0.939 -2.325 1.895 70 2HB TYR 11 2HB TYR 11 2.359 -1.702 2.709 71 HD1 TYR 11 HD1 TYR 11 -1.046 -0.190 2.274 72 HD2 TYR 11 HD2 TYR 11 1.887 -1.713 4.991 73 HE1 TYR 11 HE1 TYR 11 -2.485 0.532 4.242 74 HE2 TYR 11 HE2 TYR 11 0.439 -0.985 6.950 75 HH TYR 11 HH TYR 11 -2.671 0.644 6.385 76 H SER 12 H SER 12 0.647 2.073 1.134 77 HA SER 12 HA SER 12 2.612 3.015 3.031 78 1HB SER 12 1HB SER 12 3.046 3.351 0.306 79 2HB SER 12 2HB SER 12 2.251 4.854 0.735 80 HG SER 12 HG SER 12 3.959 4.609 2.679 81 H CYS 13 H CYS 13 0.498 2.954 4.277 82 HA CYS 13 HA CYS 13 -0.791 5.525 3.990 83 1HB CYS 13 1HB CYS 13 -2.229 4.174 2.624 84 2HB CYS 13 2HB CYS 13 -2.312 2.918 3.844 No H/Q in entry = 84 Start of MODEL 14 1 H1 ILE 1 H1 ILE 1 0.999 6.190 -3.600 2 H2 ILE 1 H2 ILE 1 2.268 6.837 -2.755 3 H3 ILE 1 H3 ILE 1 2.444 5.383 -3.528 4 HA ILE 1 HA ILE 1 2.196 4.743 -1.392 5 HB ILE 1 HB ILE 1 0.211 5.808 -0.077 6 1HG1 ILE 1 1HG1 ILE 1 0.735 7.994 -2.132 7 2HG1 ILE 1 2HG1 ILE 1 -0.695 6.935 -2.159 8 1HG2 ILE 1 1HG2 ILE 1 2.952 6.391 -0.344 9 2HG2 ILE 1 2HG2 ILE 1 2.143 7.976 -0.387 10 3HG2 ILE 1 3HG2 ILE 1 1.884 6.882 0.994 11 1HD1 ILE 1 1HD1 ILE 1 -0.410 7.918 0.511 12 2HD1 ILE 1 2HD1 ILE 1 -0.246 9.309 -0.588 13 3HD1 ILE 1 3HD1 ILE 1 -1.700 8.284 -0.660 14 H CYS 2 H CYS 2 0.311 3.480 -0.287 15 HA CYS 2 HA CYS 2 -1.881 2.925 -2.053 16 1HB CYS 2 1HB CYS 2 0.067 1.555 -2.923 17 2HB CYS 2 2HB CYS 2 0.017 0.664 -1.416 18 H CYS 3 H CYS 3 -3.585 2.810 -0.635 19 HA CYS 3 HA CYS 3 -2.975 2.054 2.109 20 1HB CYS 3 1HB CYS 3 -4.184 4.220 1.471 21 2HB CYS 3 2HB CYS 3 -5.568 3.212 1.096 22 H ASN 4 H ASN 4 -2.712 -0.245 1.131 23 HA ASN 4 HA ASN 4 -5.176 -1.594 1.571 24 1HB ASN 4 1HB ASN 4 -4.443 -0.989 -1.125 25 2HB ASN 4 2HB ASN 4 -4.045 -2.683 -0.907 26 2HD2 ASN 4 1HD2 ASN 4 -5.836 -2.563 -2.623 27 1HD2 ASN 4 2HD2 ASN 4 -7.457 -2.822 -2.069 28 HA PRO 5 HA PRO 5 -2.170 -4.529 2.830 29 1HB PRO 5 1HB PRO 5 -3.638 -6.831 2.949 30 2HB PRO 5 2HB PRO 5 -3.666 -5.609 4.206 31 1HG PRO 5 2HG PRO 5 -5.884 -5.304 3.645 32 2HG PRO 5 1HG PRO 5 -5.708 -6.202 2.150 33 1HD PRO 5 1HD PRO 5 -5.686 -4.212 1.000 34 2HD PRO 5 2HD PRO 5 -5.745 -3.313 2.503 35 H ALA 6 H ALA 6 -3.981 -5.256 -0.044 36 HA ALA 6 HA ALA 6 -2.269 -7.328 -0.903 37 1HB ALA 6 1HB ALA 6 -4.598 -5.835 -1.846 38 2HB ALA 6 2HB ALA 6 -3.443 -6.157 -3.163 39 3HB ALA 6 3HB ALA 6 -4.099 -7.506 -2.205 40 H CYS 7 H CYS 7 -1.757 -3.990 -0.472 41 HA CYS 7 HA CYS 7 -0.180 -3.502 -2.766 42 1HB CYS 7 1HB CYS 7 -0.142 -2.050 -0.115 43 2HB CYS 7 2HB CYS 7 0.490 -1.464 -1.641 44 H GLY 8 H GLY 8 0.291 -4.900 0.473 45 1HA GLY 8 1HA GLY 8 2.073 -5.813 1.497 46 2HA GLY 8 2HA GLY 8 2.601 -6.274 -0.109 47 HA PRO 9 HA PRO 9 5.942 -3.567 0.596 48 1HB PRO 9 1HB PRO 9 7.206 -3.843 -1.811 49 2HB PRO 9 2HB PRO 9 7.404 -4.977 -0.488 50 1HG PRO 9 2HG PRO 9 6.400 -6.526 -1.872 51 2HG PRO 9 1HG PRO 9 5.845 -5.289 -2.982 52 1HD PRO 9 1HD PRO 9 3.735 -5.490 -2.094 53 2HD PRO 9 2HD PRO 9 4.316 -6.642 -0.908 54 H LYS 10 H LYS 10 3.289 -2.894 -1.058 55 HA LYS 10 HA LYS 10 4.400 -0.332 -1.971 56 1HB LYS 10 1HB LYS 10 3.504 -1.864 -3.752 57 2HB LYS 10 2HB LYS 10 1.922 -1.733 -3.011 58 1HG LYS 10 1HG LYS 10 2.625 0.931 -3.189 59 2HG LYS 10 2HG LYS 10 3.447 0.282 -4.595 60 1HD LYS 10 1HD LYS 10 0.585 -0.549 -4.115 61 2HD LYS 10 2HD LYS 10 0.884 1.071 -4.714 62 1HE LYS 10 1HE LYS 10 1.282 0.287 -6.806 63 2HE LYS 10 2HE LYS 10 2.533 -0.789 -6.212 64 1HZ LYS 10 1HZ LYS 10 0.788 -2.351 -5.607 65 2HZ LYS 10 2HZ LYS 10 -0.350 -1.358 -6.226 66 3HZ LYS 10 3HZ LYS 10 0.770 -2.027 -7.207 67 H TYR 11 H TYR 11 2.739 -1.842 0.511 68 HA TYR 11 HA TYR 11 0.560 -0.123 0.911 69 1HB TYR 11 1HB TYR 11 1.028 -2.376 1.991 70 2HB TYR 11 2HB TYR 11 2.422 -1.692 2.803 71 HD1 TYR 11 HD1 TYR 11 1.879 0.448 4.315 72 HD2 TYR 11 HD2 TYR 11 -0.970 -2.531 3.169 73 HE1 TYR 11 HE1 TYR 11 0.410 1.084 6.289 74 HE2 TYR 11 HE2 TYR 11 -2.430 -1.884 5.147 75 HH TYR 11 HH TYR 11 -1.291 0.391 7.561 76 H SER 12 H SER 12 0.601 2.039 1.254 77 HA SER 12 HA SER 12 2.512 3.013 3.175 78 1HB SER 12 1HB SER 12 2.935 3.354 0.383 79 2HB SER 12 2HB SER 12 2.362 4.906 0.962 80 HG SER 12 HG SER 12 4.725 4.599 1.090 81 H CYS 13 H CYS 13 0.367 3.029 4.339 82 HA CYS 13 HA CYS 13 -0.897 5.590 3.904 83 1HB CYS 13 1HB CYS 13 -2.311 4.239 2.542 84 2HB CYS 13 2HB CYS 13 -2.401 2.978 3.755 No H/Q in entry = 84 Start of MODEL 15 1 H1 ILE 1 H1 ILE 1 0.964 6.033 -3.723 2 H2 ILE 1 H2 ILE 1 2.093 6.868 -2.847 3 H3 ILE 1 H3 ILE 1 2.493 5.421 -3.546 4 HA ILE 1 HA ILE 1 2.195 4.731 -1.465 5 HB ILE 1 HB ILE 1 0.179 5.749 -0.149 6 1HG1 ILE 1 1HG1 ILE 1 0.677 8.045 -2.064 7 2HG1 ILE 1 2HG1 ILE 1 -0.623 6.866 -2.355 8 1HG2 ILE 1 1HG2 ILE 1 2.913 6.405 -0.436 9 2HG2 ILE 1 2HG2 ILE 1 2.050 7.961 -0.431 10 3HG2 ILE 1 3HG2 ILE 1 1.846 6.826 0.925 11 1HD1 ILE 1 1HD1 ILE 1 -0.290 8.343 0.283 12 2HD1 ILE 1 2HD1 ILE 1 -1.300 8.956 -1.048 13 3HD1 ILE 1 3HD1 ILE 1 -1.696 7.403 -0.273 14 H CYS 2 H CYS 2 0.243 3.524 -0.300 15 HA CYS 2 HA CYS 2 -1.900 2.864 -2.067 16 1HB CYS 2 1HB CYS 2 0.073 1.525 -2.928 17 2HB CYS 2 2HB CYS 2 0.042 0.646 -1.411 18 H CYS 3 H CYS 3 -3.576 2.813 -0.612 19 HA CYS 3 HA CYS 3 -2.946 2.054 2.124 20 1HB CYS 3 1HB CYS 3 -4.154 4.216 1.506 21 2HB CYS 3 2HB CYS 3 -5.539 3.218 1.112 22 H ASN 4 H ASN 4 -2.689 -0.249 1.146 23 HA ASN 4 HA ASN 4 -5.155 -1.595 1.609 24 1HB ASN 4 1HB ASN 4 -4.417 -1.016 -1.091 25 2HB ASN 4 2HB ASN 4 -4.021 -2.707 -0.856 26 2HD2 ASN 4 1HD2 ASN 4 -5.882 -2.297 -2.616 27 1HD2 ASN 4 2HD2 ASN 4 -7.478 -2.655 -2.048 28 HA PRO 5 HA PRO 5 -2.147 -4.512 2.904 29 1HB PRO 5 1HB PRO 5 -3.622 -6.808 3.066 30 2HB PRO 5 2HB PRO 5 -3.642 -5.567 4.303 31 1HG PRO 5 1HG PRO 5 -5.693 -6.184 2.267 32 2HG PRO 5 2HG PRO 5 -5.859 -5.264 3.748 33 1HD PRO 5 1HD PRO 5 -5.671 -4.213 1.087 34 2HD PRO 5 2HD PRO 5 -5.720 -3.291 2.576 35 H ALA 6 H ALA 6 -3.971 -5.272 0.048 36 HA ALA 6 HA ALA 6 -2.273 -7.365 -0.788 37 1HB ALA 6 2HB ALA 6 -4.109 -5.526 -2.376 38 2HB ALA 6 3HB ALA 6 -3.449 -7.082 -2.933 39 3HB ALA 6 1HB ALA 6 -4.597 -7.038 -1.574 40 H CYS 7 H CYS 7 -1.743 -4.024 -0.405 41 HA CYS 7 HA CYS 7 -0.170 -3.576 -2.712 42 1HB CYS 7 2HB CYS 7 0.512 -1.525 -1.617 43 2HB CYS 7 1HB CYS 7 -0.119 -2.086 -0.081 44 H GLY 8 H GLY 8 0.302 -4.931 0.545 45 1HA GLY 8 1HA GLY 8 2.082 -5.838 1.577 46 2HA GLY 8 2HA GLY 8 2.605 -6.323 -0.024 47 HA PRO 9 HA PRO 9 5.959 -3.620 0.638 48 1HB PRO 9 1HB PRO 9 7.215 -3.930 -1.769 49 2HB PRO 9 2HB PRO 9 7.411 -5.049 -0.435 50 1HG PRO 9 2HG PRO 9 6.397 -6.611 -1.795 51 2HG PRO 9 1HG PRO 9 5.845 -5.385 -2.919 52 1HD PRO 9 1HD PRO 9 3.736 -5.567 -2.023 53 2HD PRO 9 2HD PRO 9 4.316 -6.707 -0.825 54 H LYS 10 H LYS 10 3.304 -2.957 -1.018 55 HA LYS 10 HA LYS 10 4.422 -0.409 -1.962 56 1HB LYS 10 1HB LYS 10 3.522 -1.957 -3.727 57 2HB LYS 10 2HB LYS 10 1.941 -1.818 -2.985 58 1HG LYS 10 1HG LYS 10 2.641 0.844 -3.191 59 2HG LYS 10 2HG LYS 10 3.467 0.184 -4.589 60 1HD LYS 10 1HD LYS 10 0.584 -0.590 -4.074 61 2HD LYS 10 2HD LYS 10 0.937 0.976 -4.778 62 1HE LYS 10 1HE LYS 10 2.556 -0.716 -6.289 63 2HE LYS 10 2HE LYS 10 1.158 -1.727 -5.986 64 1HZ LYS 10 1HZ LYS 10 -0.198 0.190 -6.741 65 2HZ LYS 10 2HZ LYS 10 1.176 0.933 -7.219 66 3HZ LYS 10 3HZ LYS 10 0.731 -0.479 -7.906 67 H TYR 11 H TYR 11 2.750 -1.890 0.534 68 HA TYR 11 HA TYR 11 0.575 -0.170 0.917 69 1HB TYR 11 1HB TYR 11 1.052 -2.401 2.035 70 2HB TYR 11 2HB TYR 11 2.452 -1.702 2.825 71 HD1 TYR 11 HD1 TYR 11 1.935 0.440 4.324 72 HD2 TYR 11 HD2 TYR 11 -0.953 -2.514 3.211 73 HE1 TYR 11 HE1 TYR 11 0.480 1.108 6.299 74 HE2 TYR 11 HE2 TYR 11 -2.398 -1.836 5.189 75 HH TYR 11 HH TYR 11 -2.661 0.383 6.548 76 H SER 12 H SER 12 0.609 1.998 1.222 77 HA SER 12 HA SER 12 2.532 3.012 3.113 78 1HB SER 12 1HB SER 12 2.896 3.329 0.303 79 2HB SER 12 2HB SER 12 2.347 4.885 0.894 80 HG SER 12 HG SER 12 4.610 3.361 1.868 81 H CYS 13 H CYS 13 0.419 3.044 4.319 82 HA CYS 13 HA CYS 13 -0.884 5.579 3.850 83 1HB CYS 13 1HB CYS 13 -2.316 4.191 2.553 84 2HB CYS 13 2HB CYS 13 -2.354 2.946 3.784 No H/Q in entry = 84 Start of MODEL 16 1 H1 ILE 1 H1 ILE 1 0.951 6.018 -3.758 2 H2 ILE 1 H2 ILE 1 2.291 6.591 -2.974 3 H3 ILE 1 H3 ILE 1 2.344 5.124 -3.738 4 HA ILE 1 HA ILE 1 2.170 4.573 -1.550 5 HB ILE 1 HB ILE 1 0.203 5.687 -0.246 6 1HG1 ILE 1 1HG1 ILE 1 0.730 7.878 -2.283 7 2HG1 ILE 1 2HG1 ILE 1 -0.643 6.755 -2.434 8 1HG2 ILE 1 1HG2 ILE 1 2.925 6.184 -0.465 9 2HG2 ILE 1 2HG2 ILE 1 2.211 7.795 -0.723 10 3HG2 ILE 1 3HG2 ILE 1 1.845 6.887 0.764 11 1HD1 ILE 1 1HD1 ILE 1 -0.256 8.021 0.244 12 2HD1 ILE 1 2HD1 ILE 1 -0.789 9.098 -1.070 13 3HD1 ILE 1 3HD1 ILE 1 -1.758 7.668 -0.646 14 H CYS 2 H CYS 2 0.296 3.349 -0.389 15 HA CYS 2 HA CYS 2 -1.919 2.753 -2.111 16 1HB CYS 2 1HB CYS 2 0.012 1.351 -2.965 17 2HB CYS 2 2HB CYS 2 -0.024 0.502 -1.433 18 H CYS 3 H CYS 3 -3.604 2.696 -0.667 19 HA CYS 3 HA CYS 3 -2.965 2.013 2.089 20 1HB CYS 3 1HB CYS 3 -4.172 4.166 1.404 21 2HB CYS 3 2HB CYS 3 -5.564 3.155 1.073 22 H ASN 4 H ASN 4 -2.724 -0.314 1.171 23 HA ASN 4 HA ASN 4 -5.190 -1.638 1.681 24 1HB ASN 4 1HB ASN 4 -4.487 -1.114 -1.039 25 2HB ASN 4 2HB ASN 4 -4.089 -2.802 -0.777 26 2HD2 ASN 4 1HD2 ASN 4 -5.860 -2.906 -2.426 27 1HD2 ASN 4 2HD2 ASN 4 -7.489 -3.083 -1.862 28 HA PRO 5 HA PRO 5 -2.182 -4.551 2.990 29 1HB PRO 5 1HB PRO 5 -3.659 -6.842 3.187 30 2HB PRO 5 2HB PRO 5 -3.670 -5.587 4.410 31 1HG PRO 5 1HG PRO 5 -5.733 -6.227 2.391 32 2HG PRO 5 2HG PRO 5 -5.891 -5.287 3.862 33 1HD PRO 5 1HD PRO 5 -5.715 -4.270 1.186 34 2HD PRO 5 2HD PRO 5 -5.756 -3.330 2.665 35 H ALA 6 H ALA 6 -4.027 -5.355 0.156 36 HA ALA 6 HA ALA 6 -2.329 -7.455 -0.663 37 1HB ALA 6 3HB ALA 6 -4.450 -7.477 -1.636 38 2HB ALA 6 1HB ALA 6 -4.451 -5.720 -1.922 39 3HB ALA 6 2HB ALA 6 -3.460 -6.788 -2.945 40 H CYS 7 H CYS 7 -1.805 -4.106 -0.331 41 HA CYS 7 HA CYS 7 -0.250 -3.687 -2.654 42 1HB CYS 7 2HB CYS 7 0.438 -1.621 -1.593 43 2HB CYS 7 1HB CYS 7 -0.177 -2.163 -0.043 44 H GLY 8 H GLY 8 0.252 -4.999 0.616 45 1HA GLY 8 1HA GLY 8 2.044 -5.885 1.647 46 2HA GLY 8 2HA GLY 8 2.547 -6.400 0.049 47 HA PRO 9 HA PRO 9 5.912 -3.692 0.619 48 1HB PRO 9 1HB PRO 9 7.136 -4.046 -1.799 49 2HB PRO 9 2HB PRO 9 7.349 -5.141 -0.447 50 1HG PRO 9 2HG PRO 9 6.315 -6.725 -1.768 51 2HG PRO 9 1HG PRO 9 5.749 -5.517 -2.905 52 1HD PRO 9 1HD PRO 9 3.652 -5.681 -1.979 53 2HD PRO 9 2HD PRO 9 4.245 -6.800 -0.769 54 H LYS 10 H LYS 10 3.237 -3.051 -1.010 55 HA LYS 10 HA LYS 10 4.347 -0.522 -2.013 56 1HB LYS 10 1HB LYS 10 3.412 -2.115 -3.732 57 2HB LYS 10 2HB LYS 10 1.841 -1.924 -2.980 58 1HG LYS 10 1HG LYS 10 2.173 0.632 -3.282 59 2HG LYS 10 2HG LYS 10 3.532 0.232 -4.314 60 1HD LYS 10 1HD LYS 10 2.145 -0.873 -5.923 61 2HD LYS 10 2HD LYS 10 0.809 -1.028 -4.799 62 1HE LYS 10 2HE LYS 10 0.980 1.668 -4.794 63 2HE LYS 10 1HE LYS 10 0.025 0.800 -5.979 64 1HZ LYS 10 1HZ LYS 10 2.473 0.788 -7.064 65 2HZ LYS 10 2HZ LYS 10 1.297 1.859 -7.430 66 3HZ LYS 10 3HZ LYS 10 2.446 2.251 -6.338 67 H TYR 11 H TYR 11 2.712 -1.954 0.531 68 HA TYR 11 HA TYR 11 0.544 -0.217 0.910 69 1HB TYR 11 1HB TYR 11 1.020 -2.440 2.048 70 2HB TYR 11 2HB TYR 11 2.426 -1.737 2.822 71 HD1 TYR 11 HD1 TYR 11 1.906 0.449 4.277 72 HD2 TYR 11 HD2 TYR 11 -0.961 -2.557 3.255 73 HE1 TYR 11 HE1 TYR 11 0.462 1.147 6.250 74 HE2 TYR 11 HE2 TYR 11 -2.395 -1.850 5.233 75 HH TYR 11 HH TYR 11 -2.109 0.988 6.742 76 H SER 12 H SER 12 0.597 1.954 1.191 77 HA SER 12 HA SER 12 2.535 2.976 3.059 78 1HB SER 12 1HB SER 12 2.934 3.230 0.257 79 2HB SER 12 2HB SER 12 2.361 4.800 0.786 80 HG SER 12 HG SER 12 4.653 4.707 0.973 81 H CYS 13 H CYS 13 0.407 3.037 4.249 82 HA CYS 13 HA CYS 13 -0.854 5.589 3.753 83 1HB CYS 13 1HB CYS 13 -2.291 4.203 2.451 84 2HB CYS 13 2HB CYS 13 -2.367 2.978 3.702 No H/Q in entry = 84 Start of MODEL 17 1 H1 ILE 1 H1 ILE 1 1.569 6.145 -3.527 2 H2 ILE 1 H2 ILE 1 3.065 6.231 -2.821 3 H3 ILE 1 H3 ILE 1 2.577 4.831 -3.557 4 HA ILE 1 HA ILE 1 2.438 4.534 -1.251 5 HB ILE 1 HB ILE 1 0.718 6.059 -0.069 6 1HG1 ILE 1 1HG1 ILE 1 1.463 7.902 -2.373 7 2HG1 ILE 1 2HG1 ILE 1 -0.083 7.023 -2.289 8 1HG2 ILE 1 1HG2 ILE 1 3.428 6.108 -0.226 9 2HG2 ILE 1 2HG2 ILE 1 3.061 7.722 -0.880 10 3HG2 ILE 1 3HG2 ILE 1 2.491 7.270 0.744 11 1HD1 ILE 1 1HD1 ILE 1 0.849 8.687 0.058 12 2HD1 ILE 1 2HD1 ILE 1 0.056 9.467 -1.331 13 3HD1 ILE 1 3HD1 ILE 1 -0.806 8.217 -0.401 14 H CYS 2 H CYS 2 0.654 3.355 -0.237 15 HA CYS 2 HA CYS 2 -1.716 3.136 -1.906 16 1HB CYS 2 1HB CYS 2 0.001 1.417 -2.624 17 2HB CYS 2 2HB CYS 2 -0.181 0.682 -1.044 18 H CYS 3 H CYS 3 -3.383 1.665 -0.652 19 HA CYS 3 HA CYS 3 -2.909 1.750 2.212 20 1HB CYS 3 1HB CYS 3 -4.110 3.882 1.299 21 2HB CYS 3 2HB CYS 3 -5.505 2.831 1.162 22 H ASN 4 H ASN 4 -2.670 -0.608 1.310 23 HA ASN 4 HA ASN 4 -5.099 -1.921 1.904 24 1HB ASN 4 1HB ASN 4 -4.598 -1.350 -0.855 25 2HB ASN 4 2HB ASN 4 -4.219 -3.049 -0.653 26 2HD2 ASN 4 1HD2 ASN 4 -5.868 -4.177 -1.349 27 1HD2 ASN 4 2HD2 ASN 4 -7.537 -3.950 -0.946 28 HA PRO 5 HA PRO 5 -2.079 -4.960 2.841 29 1HB PRO 5 1HB PRO 5 -3.498 -7.296 2.790 30 2HB PRO 5 2HB PRO 5 -3.544 -6.176 4.137 31 1HG PRO 5 1HG PRO 5 -5.585 -6.652 2.053 32 2HG PRO 5 2HG PRO 5 -5.770 -5.877 3.613 33 1HD PRO 5 1HD PRO 5 -5.613 -4.579 1.060 34 2HD PRO 5 2HD PRO 5 -5.681 -3.800 2.628 35 H ALA 6 H ALA 6 -3.927 -5.584 -0.047 36 HA ALA 6 HA ALA 6 -2.162 -7.516 -1.076 37 1HB ALA 6 1HB ALA 6 -4.515 -5.974 -1.917 38 2HB ALA 6 2HB ALA 6 -3.372 -6.266 -3.249 39 3HB ALA 6 3HB ALA 6 -4.036 -7.638 -2.329 40 H CYS 7 H CYS 7 -1.864 -4.112 -0.558 41 HA CYS 7 HA CYS 7 -0.223 -3.531 -2.781 42 1HB CYS 7 1HB CYS 7 -0.375 -2.088 -0.128 43 2HB CYS 7 2HB CYS 7 0.283 -1.460 -1.626 44 H GLY 8 H GLY 8 0.207 -4.913 0.470 45 1HA GLY 8 1HA GLY 8 2.014 -5.664 1.584 46 2HA GLY 8 2HA GLY 8 2.577 -6.184 0.008 47 HA PRO 9 HA PRO 9 5.816 -3.331 0.601 48 1HB PRO 9 1HB PRO 9 7.090 -3.647 -1.796 49 2HB PRO 9 2HB PRO 9 7.326 -4.726 -0.436 50 1HG PRO 9 2HG PRO 9 6.378 -6.356 -1.762 51 2HG PRO 9 1HG PRO 9 5.781 -5.179 -2.915 52 1HD PRO 9 1HD PRO 9 3.678 -5.422 -2.019 53 2HD PRO 9 2HD PRO 9 4.298 -6.512 -0.795 54 H LYS 10 H LYS 10 3.139 -2.800 -1.053 55 HA LYS 10 HA LYS 10 4.165 -0.254 -2.100 56 1HB LYS 10 1HB LYS 10 3.255 -1.849 -3.794 57 2HB LYS 10 2HB LYS 10 1.702 -1.786 -2.986 58 1HG LYS 10 1HG LYS 10 2.357 0.922 -3.292 59 2HG LYS 10 2HG LYS 10 2.969 0.202 -4.768 60 1HD LYS 10 1HD LYS 10 0.213 -0.607 -3.847 61 2HD LYS 10 2HD LYS 10 0.407 0.993 -4.535 62 1HE LYS 10 1HE LYS 10 1.588 -1.390 -5.988 63 2HE LYS 10 2HE LYS 10 -0.134 -1.085 -6.107 64 1HZ LYS 10 1HZ LYS 10 1.175 1.323 -6.478 65 2HZ LYS 10 2HZ LYS 10 1.927 0.224 -7.423 66 3HZ LYS 10 3HZ LYS 10 0.319 0.468 -7.575 67 H TYR 11 H TYR 11 2.557 -1.706 0.478 68 HA TYR 11 HA TYR 11 0.432 0.120 0.852 69 1HB TYR 11 1HB TYR 11 0.748 -2.197 1.874 70 2HB TYR 11 2HB TYR 11 2.143 -1.603 2.753 71 HD1 TYR 11 HD1 TYR 11 -1.095 0.184 2.279 72 HD2 TYR 11 HD2 TYR 11 1.450 -1.931 4.990 73 HE1 TYR 11 HE1 TYR 11 -2.596 0.851 4.220 74 HE2 TYR 11 HE2 TYR 11 -0.059 -1.257 6.921 75 HH TYR 11 HH TYR 11 -1.866 -0.245 7.522 76 H SER 12 H SER 12 0.590 2.256 1.300 77 HA SER 12 HA SER 12 2.467 3.057 3.304 78 1HB SER 12 1HB SER 12 3.229 3.298 0.606 79 2HB SER 12 2HB SER 12 2.663 4.903 1.024 80 HG SER 12 HG SER 12 4.796 3.381 2.213 81 H CYS 13 H CYS 13 0.092 3.169 4.119 82 HA CYS 13 HA CYS 13 -0.795 5.895 3.702 83 1HB CYS 13 1HB CYS 13 -2.247 5.006 2.155 84 2HB CYS 13 2HB CYS 13 -2.388 3.471 2.987 No H/Q in entry = 84 Start of MODEL 18 1 H1 ILE 1 H1 ILE 1 1.078 6.119 -3.619 2 H2 ILE 1 H2 ILE 1 2.242 6.883 -2.722 3 H3 ILE 1 H3 ILE 1 2.562 5.414 -3.418 4 HA ILE 1 HA ILE 1 2.197 4.773 -1.323 5 HB ILE 1 HB ILE 1 0.171 5.865 -0.085 6 1HG1 ILE 1 1HG1 ILE 1 0.775 8.238 -1.821 7 2HG1 ILE 1 2HG1 ILE 1 -0.350 7.014 -2.455 8 1HG2 ILE 1 1HG2 ILE 1 2.951 6.562 -0.420 9 2HG2 ILE 1 2HG2 ILE 1 2.007 8.054 -0.188 10 3HG2 ILE 1 3HG2 ILE 1 1.923 6.750 1.022 11 1HD1 ILE 1 1HD1 ILE 1 -1.427 7.200 -0.042 12 2HD1 ILE 1 2HD1 ILE 1 -0.614 8.782 -0.027 13 3HD1 ILE 1 3HD1 ILE 1 -1.813 8.410 -1.289 14 H CYS 2 H CYS 2 0.343 3.473 -0.278 15 HA CYS 2 HA CYS 2 -1.841 2.926 -2.059 16 1HB CYS 2 1HB CYS 2 0.121 1.574 -2.926 17 2HB CYS 2 2HB CYS 2 0.064 0.669 -1.427 18 H CYS 3 H CYS 3 -3.532 2.876 -0.620 19 HA CYS 3 HA CYS 3 -2.942 2.069 2.109 20 1HB CYS 3 1HB CYS 3 -4.140 4.240 1.496 21 2HB CYS 3 2HB CYS 3 -5.522 3.246 1.080 22 H ASN 4 H ASN 4 -2.674 -0.221 1.088 23 HA ASN 4 HA ASN 4 -5.145 -1.571 1.513 24 1HB ASN 4 1HB ASN 4 -4.378 -0.956 -1.172 25 2HB ASN 4 2HB ASN 4 -3.991 -2.652 -0.956 26 2HD2 ASN 4 1HD2 ASN 4 -5.882 -2.004 -2.725 27 1HD2 ASN 4 2HD2 ASN 4 -7.468 -2.435 -2.180 28 HA PRO 5 HA PRO 5 -2.148 -4.504 2.798 29 1HB PRO 5 1HB PRO 5 -3.630 -6.797 2.931 30 2HB PRO 5 2HB PRO 5 -3.652 -5.569 4.180 31 1HG PRO 5 2HG PRO 5 -5.866 -5.254 3.619 32 2HG PRO 5 1HG PRO 5 -5.696 -6.161 2.129 33 1HD PRO 5 1HD PRO 5 -5.663 -4.178 0.967 34 2HD PRO 5 2HD PRO 5 -5.716 -3.271 2.465 35 H ALA 6 H ALA 6 -3.958 -5.225 -0.076 36 HA ALA 6 HA ALA 6 -2.262 -7.317 -0.924 37 1HB ALA 6 3HB ALA 6 -4.464 -7.189 -1.828 38 2HB ALA 6 1HB ALA 6 -4.255 -5.485 -2.297 39 3HB ALA 6 2HB ALA 6 -3.373 -6.763 -3.167 40 H CYS 7 H CYS 7 -1.719 -3.985 -0.498 41 HA CYS 7 HA CYS 7 -0.131 -3.523 -2.795 42 1HB CYS 7 1HB CYS 7 -0.099 -2.048 -0.155 43 2HB CYS 7 2HB CYS 7 0.544 -1.479 -1.683 44 H GLY 8 H GLY 8 0.309 -4.906 0.454 45 1HA GLY 8 1HA GLY 8 2.078 -5.825 1.495 46 2HA GLY 8 2HA GLY 8 2.618 -6.291 -0.106 47 HA PRO 9 HA PRO 9 5.963 -3.594 0.626 48 1HB PRO 9 1HB PRO 9 7.249 -3.878 -1.769 49 2HB PRO 9 2HB PRO 9 7.430 -5.010 -0.444 50 1HG PRO 9 2HG PRO 9 6.433 -6.559 -1.833 51 2HG PRO 9 1HG PRO 9 5.893 -5.322 -2.951 52 1HD PRO 9 1HD PRO 9 3.774 -5.514 -2.082 53 2HD PRO 9 2HD PRO 9 4.340 -6.666 -0.889 54 H LYS 10 H LYS 10 3.328 -2.915 -1.055 55 HA LYS 10 HA LYS 10 4.456 -0.357 -1.960 56 1HB LYS 10 1HB LYS 10 3.585 -1.868 -3.760 57 2HB LYS 10 2HB LYS 10 1.997 -1.776 -3.025 58 1HG LYS 10 1HG LYS 10 2.732 0.912 -3.187 59 2HG LYS 10 2HG LYS 10 3.443 0.243 -4.642 60 1HD LYS 10 1HD LYS 10 0.571 -0.412 -3.901 61 2HD LYS 10 2HD LYS 10 0.953 1.094 -4.710 62 1HE LYS 10 1HE LYS 10 1.378 0.062 -6.715 63 2HE LYS 10 2HE LYS 10 2.252 -1.258 -5.963 64 1HZ LYS 10 1HZ LYS 10 -0.603 -1.162 -5.525 65 2HZ LYS 10 2HZ LYS 10 -0.099 -1.578 -7.022 66 3HZ LYS 10 3HZ LYS 10 0.376 -2.453 -5.728 67 H TYR 11 H TYR 11 2.764 -1.860 0.507 68 HA TYR 11 HA TYR 11 0.584 -0.142 0.884 69 1HB TYR 11 1HB TYR 11 1.043 -2.383 1.984 70 2HB TYR 11 2HB TYR 11 2.440 -1.700 2.791 71 HD1 TYR 11 HD1 TYR 11 1.923 0.427 4.312 72 HD2 TYR 11 HD2 TYR 11 -0.972 -2.499 3.143 73 HE1 TYR 11 HE1 TYR 11 0.455 1.080 6.283 74 HE2 TYR 11 HE2 TYR 11 -2.429 -1.836 5.117 75 HH TYR 11 HH TYR 11 -1.361 0.694 7.377 76 H SER 12 H SER 12 0.614 2.021 1.219 77 HA SER 12 HA SER 12 2.521 3.013 3.137 78 1HB SER 12 1HB SER 12 2.983 3.324 0.371 79 2HB SER 12 2HB SER 12 2.315 4.865 0.869 80 HG SER 12 HG SER 12 4.654 3.528 1.910 81 H CYS 13 H CYS 13 0.406 3.040 4.331 82 HA CYS 13 HA CYS 13 -0.899 5.576 3.872 83 1HB CYS 13 1HB CYS 13 -2.321 4.193 2.560 84 2HB CYS 13 2HB CYS 13 -2.365 2.941 3.786 No H/Q in entry = 84 Start of MODEL 19 1 H1 ILE 1 H1 ILE 1 2.129 4.926 -3.766 2 H2 ILE 1 H2 ILE 1 2.116 6.495 -3.234 3 H3 ILE 1 H3 ILE 1 3.426 5.528 -2.932 4 HA ILE 1 HA ILE 1 2.532 4.515 -1.223 5 HB ILE 1 HB ILE 1 1.014 6.028 0.007 6 1HG1 ILE 1 1HG1 ILE 1 1.004 7.899 -2.354 7 2HG1 ILE 1 2HG1 ILE 1 -0.190 6.582 -2.295 8 1HG2 ILE 1 1HG2 ILE 1 3.262 7.325 -1.584 9 2HG2 ILE 1 2HG2 ILE 1 2.452 8.112 -0.207 10 3HG2 ILE 1 3HG2 ILE 1 3.360 6.601 0.039 11 1HD1 ILE 1 1HD1 ILE 1 -0.213 7.637 0.300 12 2HD1 ILE 1 2HD1 ILE 1 -0.080 9.069 -0.749 13 3HD1 ILE 1 3HD1 ILE 1 -1.429 7.928 -0.966 14 H CYS 2 H CYS 2 0.763 3.306 -0.259 15 HA CYS 2 HA CYS 2 -1.579 3.045 -1.960 16 1HB CYS 2 1HB CYS 2 0.176 1.352 -2.651 17 2HB CYS 2 2HB CYS 2 -0.020 0.616 -1.073 18 H CYS 3 H CYS 3 -3.313 1.734 -0.743 19 HA CYS 3 HA CYS 3 -2.856 1.764 2.135 20 1HB CYS 3 1HB CYS 3 -4.106 3.862 1.093 21 2HB CYS 3 2HB CYS 3 -5.479 2.774 1.130 22 H ASN 4 H ASN 4 -2.595 -0.601 1.298 23 HA ASN 4 HA ASN 4 -5.037 -1.912 1.830 24 1HB ASN 4 1HB ASN 4 -4.463 -1.379 -0.917 25 2HB ASN 4 2HB ASN 4 -4.058 -3.068 -0.682 26 2HD2 ASN 4 1HD2 ASN 4 -5.992 -2.792 -2.323 27 1HD2 ASN 4 2HD2 ASN 4 -7.562 -3.096 -1.657 28 HA PRO 5 HA PRO 5 -2.029 -4.903 2.939 29 1HB PRO 5 1HB PRO 5 -3.459 -7.232 2.964 30 2HB PRO 5 2HB PRO 5 -3.514 -6.059 4.265 31 1HG PRO 5 2HG PRO 5 -5.733 -5.770 3.705 32 2HG PRO 5 1HG PRO 5 -5.534 -6.608 2.179 33 1HD PRO 5 1HD PRO 5 -5.541 -4.576 1.104 34 2HD PRO 5 2HD PRO 5 -5.623 -3.735 2.640 35 H ALA 6 H ALA 6 -3.842 -5.619 0.053 36 HA ALA 6 HA ALA 6 -2.088 -7.607 -0.880 37 1HB ALA 6 1HB ALA 6 -4.434 -6.122 -1.773 38 2HB ALA 6 2HB ALA 6 -3.266 -6.344 -3.098 39 3HB ALA 6 3HB ALA 6 -3.893 -7.758 -2.217 40 H CYS 7 H CYS 7 -1.810 -4.156 -0.555 41 HA CYS 7 HA CYS 7 -0.115 -3.683 -2.742 42 1HB CYS 7 2HB CYS 7 0.418 -1.589 -1.640 43 2HB CYS 7 1HB CYS 7 -0.265 -2.163 -0.132 44 H GLY 8 H GLY 8 0.275 -4.982 0.548 45 1HA GLY 8 1HA GLY 8 2.065 -5.727 1.695 46 2HA GLY 8 2HA GLY 8 2.629 -6.298 0.137 47 HA PRO 9 HA PRO 9 5.906 -3.477 0.670 48 1HB PRO 9 1HB PRO 9 7.187 -3.873 -1.712 49 2HB PRO 9 2HB PRO 9 7.401 -4.920 -0.323 50 1HG PRO 9 1HG PRO 9 5.859 -5.416 -2.797 51 2HG PRO 9 2HG PRO 9 6.434 -6.572 -1.612 52 1HD PRO 9 1HD PRO 9 3.750 -5.605 -1.906 53 2HD PRO 9 2HD PRO 9 4.348 -6.671 -0.651 54 H LYS 10 H LYS 10 3.245 -2.950 -1.010 55 HA LYS 10 HA LYS 10 4.312 -0.443 -2.109 56 1HB LYS 10 1HB LYS 10 3.400 -2.080 -3.772 57 2HB LYS 10 2HB LYS 10 1.836 -1.956 -2.991 58 1HG LYS 10 1HG LYS 10 2.495 0.720 -3.351 59 2HG LYS 10 2HG LYS 10 3.220 -0.015 -4.767 60 1HD LYS 10 1HD LYS 10 1.090 -1.013 -5.433 61 2HD LYS 10 2HD LYS 10 0.337 -0.551 -3.921 62 1HE LYS 10 1HE LYS 10 0.793 1.891 -4.534 63 2HE LYS 10 2HE LYS 10 1.328 1.336 -6.107 64 1HZ LYS 10 1HZ LYS 10 -1.286 0.543 -5.074 65 2HZ LYS 10 2HZ LYS 10 -1.088 1.984 -5.817 66 3HZ LYS 10 3HZ LYS 10 -0.777 0.598 -6.624 67 H TYR 11 H TYR 11 2.615 -1.840 0.459 68 HA TYR 11 HA TYR 11 0.537 0.059 0.762 69 1HB TYR 11 1HB TYR 11 0.903 -2.327 1.772 70 2HB TYR 11 2HB TYR 11 2.091 -1.604 2.837 71 HD1 TYR 11 HD1 TYR 11 -0.291 0.879 2.437 72 HD2 TYR 11 HD2 TYR 11 0.212 -2.927 4.326 73 HE1 TYR 11 HE1 TYR 11 -2.129 1.453 4.098 74 HE2 TYR 11 HE2 TYR 11 -1.627 -2.339 5.981 75 HH TYR 11 HH TYR 11 -2.594 -0.230 6.921 76 H SER 12 H SER 12 0.737 2.180 1.257 77 HA SER 12 HA SER 12 2.608 2.904 3.296 78 1HB SER 12 1HB SER 12 3.354 3.199 0.570 79 2HB SER 12 2HB SER 12 2.917 4.809 1.108 80 HG SER 12 HG SER 12 4.362 4.373 3.016 81 H CYS 13 H CYS 13 0.159 3.020 3.998 82 HA CYS 13 HA CYS 13 -0.588 5.799 3.742 83 1HB CYS 13 1HB CYS 13 -1.912 5.077 1.976 84 2HB CYS 13 2HB CYS 13 -2.270 3.533 2.727 No H/Q in entry = 84 Start of MODEL 20 1 H1 ILE 1 H1 ILE 1 1.822 5.216 -3.676 2 H2 ILE 1 H2 ILE 1 1.724 6.749 -3.056 3 H3 ILE 1 H3 ILE 1 3.092 5.846 -2.820 4 HA ILE 1 HA ILE 1 2.274 4.679 -1.169 5 HB ILE 1 HB ILE 1 0.721 6.034 0.177 6 1HG1 ILE 1 1HG1 ILE 1 0.517 8.011 -2.093 7 2HG1 ILE 1 2HG1 ILE 1 -0.604 6.628 -2.036 8 1HG2 ILE 1 1HG2 ILE 1 3.190 6.666 -0.243 9 2HG2 ILE 1 2HG2 ILE 1 2.557 7.921 -1.336 10 3HG2 ILE 1 3HG2 ILE 1 2.125 7.944 0.391 11 1HD1 ILE 1 1HD1 ILE 1 -0.144 8.631 0.217 12 2HD1 ILE 1 2HD1 ILE 1 -1.548 8.608 -0.876 13 3HD1 ILE 1 3HD1 ILE 1 -1.280 7.260 0.254 14 H CYS 2 H CYS 2 0.672 3.231 -0.338 15 HA CYS 2 HA CYS 2 -1.739 3.008 -1.947 16 1HB CYS 2 1HB CYS 2 0.075 1.523 -2.908 17 2HB CYS 2 2HB CYS 2 0.016 0.608 -1.415 18 H CYS 3 H CYS 3 -3.490 2.612 -0.603 19 HA CYS 3 HA CYS 3 -2.826 1.921 2.160 20 1HB CYS 3 1HB CYS 3 -4.050 4.125 1.460 21 2HB CYS 3 2HB CYS 3 -5.457 3.089 1.312 22 H ASN 4 H ASN 4 -2.648 -0.378 1.244 23 HA ASN 4 HA ASN 4 -5.132 -1.664 1.676 24 1HB ASN 4 1HB ASN 4 -4.502 -1.017 -1.018 25 2HB ASN 4 2HB ASN 4 -4.062 -2.707 -0.864 26 2HD2 ASN 4 1HD2 ASN 4 -5.601 -3.987 -1.511 27 1HD2 ASN 4 2HD2 ASN 4 -7.305 -3.806 -1.255 28 HA PRO 5 HA PRO 5 -2.204 -4.739 2.771 29 1HB PRO 5 1HB PRO 5 -3.692 -7.030 2.718 30 2HB PRO 5 2HB PRO 5 -3.737 -5.889 4.047 31 1HG PRO 5 1HG PRO 5 -5.739 -6.336 1.918 32 2HG PRO 5 2HG PRO 5 -5.939 -5.530 3.462 33 1HD PRO 5 1HD PRO 5 -5.680 -4.281 0.894 34 2HD PRO 5 2HD PRO 5 -5.762 -3.475 2.448 35 H ALA 6 H ALA 6 -3.985 -5.326 -0.163 36 HA ALA 6 HA ALA 6 -2.237 -7.328 -1.111 37 1HB ALA 6 1HB ALA 6 -4.684 -6.223 -1.836 38 2HB ALA 6 2HB ALA 6 -3.596 -5.698 -3.143 39 3HB ALA 6 3HB ALA 6 -3.767 -7.429 -2.769 40 H CYS 7 H CYS 7 -1.776 -4.009 -0.509 41 HA CYS 7 HA CYS 7 -0.155 -3.428 -2.767 42 1HB CYS 7 1HB CYS 7 -0.261 -2.006 -0.101 43 2HB CYS 7 2HB CYS 7 0.409 -1.384 -1.596 44 H GLY 8 H GLY 8 0.232 -4.854 0.471 45 1HA GLY 8 1HA GLY 8 2.016 -5.669 1.579 46 2HA GLY 8 2HA GLY 8 2.563 -6.190 -0.002 47 HA PRO 9 HA PRO 9 5.886 -3.442 0.613 48 1HB PRO 9 1HB PRO 9 7.146 -3.769 -1.791 49 2HB PRO 9 2HB PRO 9 7.352 -4.869 -0.443 50 1HG PRO 9 1HG PRO 9 5.789 -5.249 -2.924 51 2HG PRO 9 2HG PRO 9 6.353 -6.457 -1.786 52 1HD PRO 9 1HD PRO 9 3.681 -5.440 -2.026 53 2HD PRO 9 2HD PRO 9 4.271 -6.560 -0.816 54 H LYS 10 H LYS 10 3.224 -2.814 -1.033 55 HA LYS 10 HA LYS 10 4.323 -0.283 -2.043 56 1HB LYS 10 1HB LYS 10 3.365 -1.868 -3.748 57 2HB LYS 10 2HB LYS 10 1.807 -1.697 -2.967 58 1HG LYS 10 1HG LYS 10 2.465 0.945 -3.246 59 2HG LYS 10 2HG LYS 10 3.333 0.283 -4.617 60 1HD LYS 10 1HD LYS 10 0.456 -0.541 -4.150 61 2HD LYS 10 2HD LYS 10 0.792 1.022 -4.870 62 1HE LYS 10 1HE LYS 10 1.590 0.104 -6.843 63 2HE LYS 10 2HE LYS 10 2.304 -1.281 -6.041 64 1HZ LYS 10 1HZ LYS 10 -0.356 -1.581 -5.650 65 2HZ LYS 10 2HZ LYS 10 -0.270 -1.016 -7.180 66 3HZ LYS 10 3HZ LYS 10 0.542 -2.371 -6.763 67 H TYR 11 H TYR 11 2.681 -1.720 0.512 68 HA TYR 11 HA TYR 11 0.583 0.133 0.897 69 1HB TYR 11 1HB TYR 11 0.884 -2.198 1.905 70 2HB TYR 11 2HB TYR 11 2.271 -1.611 2.801 71 HD1 TYR 11 HD1 TYR 11 -1.050 0.036 2.274 72 HD2 TYR 11 HD2 TYR 11 1.643 -1.793 5.050 73 HE1 TYR 11 HE1 TYR 11 -2.571 0.703 4.200 74 HE2 TYR 11 HE2 TYR 11 0.114 -1.120 6.967 75 HH TYR 11 HH TYR 11 -2.951 -0.348 6.639 76 H SER 12 H SER 12 0.776 2.267 1.346 77 HA SER 12 HA SER 12 2.731 3.021 3.316 78 1HB SER 12 1HB SER 12 3.260 3.398 0.554 79 2HB SER 12 2HB SER 12 2.779 4.976 1.144 80 HG SER 12 HG SER 12 4.863 3.296 2.256 81 H CYS 13 H CYS 13 0.372 3.033 4.241 82 HA CYS 13 HA CYS 13 -0.534 5.771 4.070 83 1HB CYS 13 1HB CYS 13 -1.985 4.984 2.438 84 2HB CYS 13 2HB CYS 13 -2.187 3.423 3.208 No H/Q in entry = 84 Start of MODEL 21 1 H1 ILE 1 H1 ILE 1 1.391 6.101 -3.647 2 H2 ILE 1 H2 ILE 1 2.818 6.507 -2.913 3 H3 ILE 1 H3 ILE 1 2.640 5.015 -3.610 4 HA ILE 1 HA ILE 1 2.451 4.617 -1.380 5 HB ILE 1 HB ILE 1 0.625 6.033 -0.145 6 1HG1 ILE 1 2HG1 ILE 1 1.349 7.804 -2.518 7 2HG1 ILE 1 1HG1 ILE 1 0.502 8.362 -1.056 8 1HG2 ILE 1 1HG2 ILE 1 3.444 6.285 -0.559 9 2HG2 ILE 1 2HG2 ILE 1 2.763 7.930 -0.520 10 3HG2 ILE 1 3HG2 ILE 1 2.490 6.821 0.845 11 1HD1 ILE 1 1HD1 ILE 1 -1.026 6.201 -1.695 12 2HD1 ILE 1 2HD1 ILE 1 -1.362 7.846 -2.285 13 3HD1 ILE 1 3HD1 ILE 1 -0.487 6.692 -3.319 14 H CYS 2 H CYS 2 0.575 3.542 -0.207 15 HA CYS 2 HA CYS 2 -1.753 3.162 -1.871 16 1HB CYS 2 1HB CYS 2 0.003 1.508 -2.639 17 2HB CYS 2 2HB CYS 2 -0.109 0.764 -1.055 18 H CYS 3 H CYS 3 -3.340 1.633 -0.587 19 HA CYS 3 HA CYS 3 -2.801 1.681 2.261 20 1HB CYS 3 1HB CYS 3 -4.003 3.838 1.477 21 2HB CYS 3 2HB CYS 3 -5.408 2.810 1.273 22 H ASN 4 H ASN 4 -2.590 -0.652 1.259 23 HA ASN 4 HA ASN 4 -4.985 -1.991 1.918 24 1HB ASN 4 1HB ASN 4 -4.148 -1.707 -0.971 25 2HB ASN 4 2HB ASN 4 -4.746 -3.275 -0.465 26 2HD2 ASN 4 1HD2 ASN 4 -6.856 -3.551 0.147 27 1HD2 ASN 4 2HD2 ASN 4 -8.100 -2.375 -0.114 28 HA PRO 5 HA PRO 5 -1.899 -5.026 2.620 29 1HB PRO 5 1HB PRO 5 -3.334 -7.352 2.672 30 2HB PRO 5 2HB PRO 5 -3.264 -6.239 4.024 31 1HG PRO 5 1HG PRO 5 -5.469 -6.689 2.107 32 2HG PRO 5 2HG PRO 5 -5.523 -5.920 3.681 33 1HD PRO 5 1HD PRO 5 -5.562 -4.611 1.129 34 2HD PRO 5 2HD PRO 5 -5.497 -3.841 2.702 35 H ALA 6 H ALA 6 -3.895 -5.432 -0.173 36 HA ALA 6 HA ALA 6 -2.348 -7.467 -1.350 37 1HB ALA 6 3HB ALA 6 -4.508 -7.215 -2.214 38 2HB ALA 6 1HB ALA 6 -4.380 -5.441 -2.287 39 3HB ALA 6 2HB ALA 6 -3.507 -6.446 -3.469 40 H CYS 7 H CYS 7 -1.705 -4.153 -0.674 41 HA CYS 7 HA CYS 7 -0.022 -3.735 -2.954 42 1HB CYS 7 2HB CYS 7 0.533 -1.613 -1.895 43 2HB CYS 7 1HB CYS 7 -0.272 -2.105 -0.418 44 H GLY 8 H GLY 8 0.161 -5.005 0.344 45 1HA GLY 8 1HA GLY 8 1.867 -5.763 1.606 46 2HA GLY 8 2HA GLY 8 2.527 -6.334 0.087 47 HA PRO 9 HA PRO 9 5.784 -3.541 0.840 48 1HB PRO 9 1HB PRO 9 7.207 -3.931 -1.460 49 2HB PRO 9 2HB PRO 9 7.327 -4.990 -0.069 50 1HG PRO 9 1HG PRO 9 5.940 -5.455 -2.638 51 2HG PRO 9 2HG PRO 9 6.431 -6.624 -1.427 52 1HD PRO 9 1HD PRO 9 3.776 -5.635 -1.882 53 2HD PRO 9 2HD PRO 9 4.288 -6.713 -0.599 54 H LYS 10 H LYS 10 3.240 -2.988 -1.013 55 HA LYS 10 HA LYS 10 4.390 -0.477 -2.015 56 1HB LYS 10 1HB LYS 10 3.634 -2.003 -3.792 57 2HB LYS 10 2HB LYS 10 2.035 -2.064 -3.079 58 1HG LYS 10 1HG LYS 10 2.772 0.715 -3.363 59 2HG LYS 10 2HG LYS 10 3.107 -0.088 -4.884 60 1HD LYS 10 1HD LYS 10 0.799 -0.992 -4.953 61 2HD LYS 10 2HD LYS 10 0.452 -0.290 -3.385 62 1HE LYS 10 2HE LYS 10 1.325 1.948 -4.697 63 2HE LYS 10 1HE LYS 10 -0.358 1.465 -4.626 64 1HZ LYS 10 1HZ LYS 10 1.212 0.239 -6.706 65 2HZ LYS 10 2HZ LYS 10 -0.320 0.805 -6.751 66 3HZ LYS 10 3HZ LYS 10 0.937 1.840 -6.877 67 H TYR 11 H TYR 11 2.713 -1.775 0.532 68 HA TYR 11 HA TYR 11 0.532 0.049 0.688 69 1HB TYR 11 1HB TYR 11 0.657 -2.208 1.795 70 2HB TYR 11 2HB TYR 11 2.097 -1.721 2.667 71 HD1 TYR 11 HD1 TYR 11 -1.084 0.188 2.167 72 HD2 TYR 11 HD2 TYR 11 1.476 -1.847 4.925 73 HE1 TYR 11 HE1 TYR 11 -2.523 0.988 4.103 74 HE2 TYR 11 HE2 TYR 11 0.029 -1.039 6.852 75 HH TYR 11 HH TYR 11 -2.974 0.006 6.535 76 H SER 12 H SER 12 0.674 2.189 1.119 77 HA SER 12 HA SER 12 2.526 2.999 3.167 78 1HB SER 12 1HB SER 12 3.204 3.317 0.448 79 2HB SER 12 2HB SER 12 2.622 4.898 0.932 80 HG SER 12 HG SER 12 4.137 4.296 2.947 81 H CYS 13 H CYS 13 0.299 3.133 4.174 82 HA CYS 13 HA CYS 13 -0.742 5.791 3.730 83 1HB CYS 13 1HB CYS 13 -2.234 4.779 2.280 84 2HB CYS 13 2HB CYS 13 -2.305 3.292 3.203 No H/Q in entry = 84 Start of MODEL 22 1 H1 ILE 1 H1 ILE 1 0.731 6.074 -3.796 2 H2 ILE 1 H2 ILE 1 2.071 6.745 -3.093 3 H3 ILE 1 H3 ILE 1 2.141 5.210 -3.711 4 HA ILE 1 HA ILE 1 1.948 4.720 -1.560 5 HB ILE 1 HB ILE 1 0.211 6.169 -0.196 6 1HG1 ILE 1 1HG1 ILE 1 1.091 8.269 -2.179 7 2HG1 ILE 1 2HG1 ILE 1 -0.375 7.312 -2.504 8 1HG2 ILE 1 1HG2 ILE 1 3.025 6.291 -0.726 9 2HG2 ILE 1 2HG2 ILE 1 2.425 7.961 -0.587 10 3HG2 ILE 1 3HG2 ILE 1 2.157 6.805 0.741 11 1HD1 ILE 1 1HD1 ILE 1 -1.225 7.938 -0.225 12 2HD1 ILE 1 2HD1 ILE 1 0.192 8.998 -0.029 13 3HD1 ILE 1 3HD1 ILE 1 -1.006 9.339 -1.301 14 H CYS 2 H CYS 2 0.366 3.385 -0.454 15 HA CYS 2 HA CYS 2 -2.191 3.184 -1.824 16 1HB CYS 2 1HB CYS 2 -1.119 1.541 -3.043 17 2HB CYS 2 2HB CYS 2 -0.096 1.051 -1.707 18 H CYS 3 H CYS 3 -3.739 1.802 -0.471 19 HA CYS 3 HA CYS 3 -2.887 1.673 2.319 20 1HB CYS 3 1HB CYS 3 -4.248 3.784 1.707 21 2HB CYS 3 2HB CYS 3 -5.617 2.699 1.574 22 H ASN 4 H ASN 4 -2.733 -0.563 0.845 23 HA ASN 4 HA ASN 4 -5.092 -2.007 1.685 24 1HB ASN 4 1HB ASN 4 -3.858 -2.664 -1.010 25 2HB ASN 4 2HB ASN 4 -5.463 -3.053 -0.424 26 2HD2 ASN 4 1HD2 ASN 4 -4.337 -1.586 -2.816 27 1HD2 ASN 4 2HD2 ASN 4 -5.216 -0.095 -2.902 28 HA PRO 5 HA PRO 5 -1.933 -4.848 2.775 29 1HB PRO 5 1HB PRO 5 -3.343 -7.174 3.043 30 2HB PRO 5 2HB PRO 5 -3.301 -5.930 4.277 31 1HG PRO 5 2HG PRO 5 -5.559 -5.676 3.880 32 2HG PRO 5 1HG PRO 5 -5.478 -6.598 2.392 33 1HD PRO 5 1HD PRO 5 -5.581 -4.629 1.211 34 2HD PRO 5 2HD PRO 5 -5.545 -3.704 2.699 35 H ALA 6 H ALA 6 -3.870 -5.513 -0.001 36 HA ALA 6 HA ALA 6 -2.296 -7.653 -0.949 37 1HB ALA 6 2HB ALA 6 -3.951 -5.704 -2.589 38 2HB ALA 6 1HB ALA 6 -4.676 -6.996 -1.603 39 3HB ALA 6 3HB ALA 6 -3.587 -7.407 -2.949 40 H CYS 7 H CYS 7 -1.680 -4.291 -0.575 41 HA CYS 7 HA CYS 7 -0.002 -4.037 -2.873 42 1HB CYS 7 2HB CYS 7 0.601 -1.862 -1.907 43 2HB CYS 7 1HB CYS 7 -0.270 -2.259 -0.440 44 H GLY 8 H GLY 8 0.206 -5.137 0.477 45 1HA GLY 8 1HA GLY 8 1.920 -5.834 1.764 46 2HA GLY 8 2HA GLY 8 2.578 -6.468 0.269 47 HA PRO 9 HA PRO 9 5.825 -3.632 0.882 48 1HB PRO 9 1HB PRO 9 7.236 -4.109 -1.410 49 2HB PRO 9 2HB PRO 9 7.369 -5.108 0.023 50 1HG PRO 9 1HG PRO 9 5.968 -5.684 -2.516 51 2HG PRO 9 2HG PRO 9 6.471 -6.801 -1.262 52 1HD PRO 9 1HD PRO 9 3.810 -5.843 -1.739 53 2HD PRO 9 2HD PRO 9 4.334 -6.866 -0.416 54 H LYS 10 H LYS 10 3.268 -3.167 -0.979 55 HA LYS 10 HA LYS 10 4.398 -0.689 -2.081 56 1HB LYS 10 1HB LYS 10 3.671 -2.257 -3.814 57 2HB LYS 10 2HB LYS 10 2.080 -2.366 -3.086 58 1HG LYS 10 1HG LYS 10 2.767 0.436 -3.476 59 2HG LYS 10 2HG LYS 10 3.006 -0.432 -4.979 60 1HD LYS 10 1HD LYS 10 0.599 -1.498 -4.177 61 2HD LYS 10 2HD LYS 10 0.479 0.103 -3.477 62 1HE LYS 10 1HE LYS 10 1.330 -0.273 -6.374 63 2HE LYS 10 2HE LYS 10 -0.364 -0.239 -5.930 64 1HZ LYS 10 1HZ LYS 10 1.080 1.881 -4.738 65 2HZ LYS 10 2HZ LYS 10 1.206 1.914 -6.366 66 3HZ LYS 10 3HZ LYS 10 -0.267 1.936 -5.660 67 H TYR 11 H TYR 11 2.736 -1.900 0.514 68 HA TYR 11 HA TYR 11 0.524 -0.119 0.605 69 1HB TYR 11 1HB TYR 11 0.724 -2.303 1.839 70 2HB TYR 11 2HB TYR 11 2.164 -1.729 2.658 71 HD1 TYR 11 HD1 TYR 11 -1.473 -0.924 2.256 72 HD2 TYR 11 HD2 TYR 11 1.980 -0.754 4.775 73 HE1 TYR 11 HE1 TYR 11 -2.902 -0.048 4.168 74 HE2 TYR 11 HE2 TYR 11 0.540 0.122 6.679 75 HH TYR 11 HH TYR 11 -2.677 -0.151 6.775 76 H SER 12 H SER 12 0.589 2.042 0.938 77 HA SER 12 HA SER 12 2.528 3.010 2.848 78 1HB SER 12 1HB SER 12 2.951 3.291 0.080 79 2HB SER 12 2HB SER 12 2.289 4.842 0.560 80 HG SER 12 HG SER 12 4.708 3.562 1.404 81 H CYS 13 H CYS 13 0.483 3.114 4.122 82 HA CYS 13 HA CYS 13 -0.823 5.646 3.642 83 1HB CYS 13 1HB CYS 13 -2.360 4.351 2.449 84 2HB CYS 13 2HB CYS 13 -2.259 3.007 3.569 No H/Q in entry = 84 Start of MODEL 23 1 H1 ILE 1 H1 ILE 1 1.716 5.236 -3.726 2 H2 ILE 1 H2 ILE 1 1.788 6.738 -3.034 3 H3 ILE 1 H3 ILE 1 3.074 5.704 -2.905 4 HA ILE 1 HA ILE 1 2.272 4.638 -1.205 5 HB ILE 1 HB ILE 1 0.659 5.971 0.121 6 1HG1 ILE 1 1HG1 ILE 1 0.515 8.144 -1.880 7 2HG1 ILE 1 2HG1 ILE 1 -0.381 6.677 -2.341 8 1HG2 ILE 1 1HG2 ILE 1 2.951 7.304 -1.331 9 2HG2 ILE 1 2HG2 ILE 1 1.978 8.228 -0.163 10 3HG2 ILE 1 3HG2 ILE 1 2.852 6.770 0.363 11 1HD1 ILE 1 1HD1 ILE 1 -0.624 7.982 0.396 12 2HD1 ILE 1 2HD1 ILE 1 -1.700 8.373 -0.967 13 3HD1 ILE 1 3HD1 ILE 1 -1.665 6.721 -0.306 14 H CYS 2 H CYS 2 0.591 3.269 -0.290 15 HA CYS 2 HA CYS 2 -1.767 2.965 -1.950 16 1HB CYS 2 1HB CYS 2 0.068 1.465 -2.846 17 2HB CYS 2 2HB CYS 2 -0.011 0.586 -1.332 18 H CYS 3 H CYS 3 -3.537 2.595 -0.624 19 HA CYS 3 HA CYS 3 -2.910 1.976 2.166 20 1HB CYS 3 1HB CYS 3 -4.134 4.157 1.388 21 2HB CYS 3 2HB CYS 3 -5.534 3.112 1.257 22 H ASN 4 H ASN 4 -2.715 -0.346 1.327 23 HA ASN 4 HA ASN 4 -5.188 -1.634 1.767 24 1HB ASN 4 1HB ASN 4 -4.577 -1.028 -0.942 25 2HB ASN 4 2HB ASN 4 -4.129 -2.712 -0.763 26 2HD2 ASN 4 1HD2 ASN 4 -5.827 -3.275 -2.152 27 1HD2 ASN 4 2HD2 ASN 4 -7.474 -3.353 -1.622 28 HA PRO 5 HA PRO 5 -2.241 -4.681 2.888 29 1HB PRO 5 1HB PRO 5 -3.715 -6.983 2.867 30 2HB PRO 5 2HB PRO 5 -3.764 -5.825 4.182 31 1HG PRO 5 2HG PRO 5 -5.970 -5.487 3.597 32 2HG PRO 5 1HG PRO 5 -5.768 -6.311 2.063 33 1HD PRO 5 1HD PRO 5 -5.723 -4.267 1.013 34 2HD PRO 5 2HD PRO 5 -5.808 -3.443 2.558 35 H ALA 6 H ALA 6 -4.026 -5.319 -0.032 36 HA ALA 6 HA ALA 6 -2.262 -7.318 -0.959 37 1HB ALA 6 2HB ALA 6 -4.112 -5.456 -2.503 38 2HB ALA 6 1HB ALA 6 -4.610 -6.979 -1.727 39 3HB ALA 6 3HB ALA 6 -3.447 -7.005 -3.075 40 H CYS 7 H CYS 7 -1.819 -3.996 -0.391 41 HA CYS 7 HA CYS 7 -0.251 -3.387 -2.668 42 1HB CYS 7 2HB CYS 7 0.363 -1.372 -1.468 43 2HB CYS 7 1HB CYS 7 -0.267 -2.025 0.032 44 H GLY 8 H GLY 8 0.244 -4.853 0.544 45 1HA GLY 8 1HA GLY 8 2.063 -5.690 1.576 46 2HA GLY 8 2HA GLY 8 2.541 -6.209 -0.029 47 HA PRO 9 HA PRO 9 5.911 -3.495 0.453 48 1HB PRO 9 1HB PRO 9 7.049 -3.795 -2.013 49 2HB PRO 9 2HB PRO 9 7.310 -4.919 -0.695 50 1HG PRO 9 1HG PRO 9 5.624 -5.245 -3.101 51 2HG PRO 9 2HG PRO 9 6.230 -6.475 -2.011 52 1HD PRO 9 1HD PRO 9 3.561 -5.430 -2.105 53 2HD PRO 9 2HD PRO 9 4.198 -6.574 -0.941 54 H LYS 10 H LYS 10 3.178 -2.816 -1.050 55 HA LYS 10 HA LYS 10 4.251 -0.274 -2.058 56 1HB LYS 10 1HB LYS 10 3.223 -1.832 -3.754 57 2HB LYS 10 2HB LYS 10 1.692 -1.646 -2.922 58 1HG LYS 10 1HG LYS 10 2.152 0.948 -3.179 59 2HG LYS 10 2HG LYS 10 3.294 0.454 -4.414 60 1HD LYS 10 1HD LYS 10 0.618 -0.854 -4.598 61 2HD LYS 10 2HD LYS 10 0.603 0.879 -4.856 62 1HE LYS 10 1HE LYS 10 1.473 0.626 -6.936 63 2HE LYS 10 2HE LYS 10 2.861 -0.229 -6.292 64 1HZ LYS 10 1HZ LYS 10 0.261 -1.501 -6.785 65 2HZ LYS 10 2HZ LYS 10 1.507 -1.536 -7.839 66 3HZ LYS 10 3HZ LYS 10 1.653 -2.250 -6.377 67 H TYR 11 H TYR 11 2.672 -1.771 0.512 68 HA TYR 11 HA TYR 11 0.582 0.034 1.022 69 1HB TYR 11 1HB TYR 11 1.062 -2.290 2.017 70 2HB TYR 11 2HB TYR 11 2.427 -1.602 2.873 71 HD1 TYR 11 HD1 TYR 11 1.745 0.610 4.312 72 HD2 TYR 11 HD2 TYR 11 -0.885 -2.588 3.234 73 HE1 TYR 11 HE1 TYR 11 0.220 1.198 6.260 74 HE2 TYR 11 HE2 TYR 11 -2.400 -1.990 5.186 75 HH TYR 11 HH TYR 11 -2.891 -0.363 6.647 76 H SER 12 H SER 12 0.730 2.179 1.431 77 HA SER 12 HA SER 12 2.705 3.026 3.328 78 1HB SER 12 1HB SER 12 3.198 3.336 0.541 79 2HB SER 12 2HB SER 12 2.738 4.926 1.118 80 HG SER 12 HG SER 12 4.499 5.034 2.421 81 H CYS 13 H CYS 13 0.370 3.057 4.283 82 HA CYS 13 HA CYS 13 -0.583 5.770 4.004 83 1HB CYS 13 1HB CYS 13 -2.020 4.847 2.411 84 2HB CYS 13 2HB CYS 13 -2.235 3.359 3.310 No H/Q in entry = 84 Start of MODEL 24 1 H1 ILE 1 H1 ILE 1 0.807 6.288 -3.640 2 H2 ILE 1 H2 ILE 1 1.924 7.127 -2.753 3 H3 ILE 1 H3 ILE 1 2.361 5.730 -3.525 4 HA ILE 1 HA ILE 1 2.139 4.936 -1.471 5 HB ILE 1 HB ILE 1 0.105 5.820 -0.075 6 1HG1 ILE 1 1HG1 ILE 1 0.485 8.338 -1.648 7 2HG1 ILE 1 2HG1 ILE 1 -0.558 7.087 -2.366 8 1HG2 ILE 1 1HG2 ILE 1 2.784 6.436 -0.200 9 2HG2 ILE 1 2HG2 ILE 1 2.041 8.038 -0.424 10 3HG2 ILE 1 3HG2 ILE 1 1.659 7.073 1.022 11 1HD1 ILE 1 1HD1 ILE 1 -1.657 6.978 0.004 12 2HD1 ILE 1 2HD1 ILE 1 -0.886 8.562 0.257 13 3HD1 ILE 1 3HD1 ILE 1 -2.064 8.345 -1.061 14 H CYS 2 H CYS 2 0.177 3.679 -0.290 15 HA CYS 2 HA CYS 2 -1.939 2.988 -2.065 16 1HB CYS 2 1HB CYS 2 0.066 1.733 -2.981 17 2HB CYS 2 2HB CYS 2 0.072 0.809 -1.491 18 H CYS 3 H CYS 3 -3.607 2.816 -0.609 19 HA CYS 3 HA CYS 3 -2.923 1.982 2.097 20 1HB CYS 3 1HB CYS 3 -4.164 4.156 1.579 21 2HB CYS 3 2HB CYS 3 -5.544 3.156 1.172 22 H ASN 4 H ASN 4 -2.659 -0.282 1.067 23 HA ASN 4 HA ASN 4 -5.091 -1.676 1.508 24 1HB ASN 4 1HB ASN 4 -3.995 -1.283 -1.266 25 2HB ASN 4 2HB ASN 4 -4.504 -2.912 -0.870 26 2HD2 ASN 4 1HD2 ASN 4 -6.608 -2.616 0.756 27 1HD2 ASN 4 2HD2 ASN 4 -7.924 -1.803 -0.021 28 HA PRO 5 HA PRO 5 -1.984 -4.585 2.575 29 1HB PRO 5 1HB PRO 5 -3.443 -6.888 2.778 30 2HB PRO 5 2HB PRO 5 -3.387 -5.675 4.040 31 1HG PRO 5 1HG PRO 5 -5.559 -6.254 2.122 32 2HG PRO 5 2HG PRO 5 -5.636 -5.367 3.631 33 1HD PRO 5 1HD PRO 5 -5.614 -4.258 0.986 34 2HD PRO 5 2HD PRO 5 -5.573 -3.368 2.495 35 H ALA 6 H ALA 6 -3.911 -5.149 -0.231 36 HA ALA 6 HA ALA 6 -2.393 -7.303 -1.218 37 1HB ALA 6 1HB ALA 6 -4.751 -6.374 -1.869 38 2HB ALA 6 3HB ALA 6 -3.711 -7.059 -3.141 39 3HB ALA 6 2HB ALA 6 -3.839 -5.294 -2.950 40 H CYS 7 H CYS 7 -1.597 -4.026 -0.669 41 HA CYS 7 HA CYS 7 0.113 -3.748 -2.950 42 1HB CYS 7 2HB CYS 7 0.768 -1.633 -1.947 43 2HB CYS 7 1HB CYS 7 -0.052 -2.048 -0.454 44 H GLY 8 H GLY 8 0.211 -4.988 0.354 45 1HA GLY 8 1HA GLY 8 1.864 -5.822 1.636 46 2HA GLY 8 2HA GLY 8 2.529 -6.412 0.126 47 HA PRO 9 HA PRO 9 5.873 -3.745 0.944 48 1HB PRO 9 1HB PRO 9 7.320 -4.178 -1.334 49 2HB PRO 9 2HB PRO 9 7.377 -5.244 0.055 50 1HG PRO 9 2HG PRO 9 6.443 -6.839 -1.325 51 2HG PRO 9 1HG PRO 9 6.017 -5.649 -2.538 52 1HD PRO 9 1HD PRO 9 3.836 -5.752 -1.819 53 2HD PRO 9 2HD PRO 9 4.286 -6.853 -0.533 54 H LYS 10 H LYS 10 3.388 -3.101 -0.969 55 HA LYS 10 HA LYS 10 4.637 -0.605 -1.889 56 1HB LYS 10 1HB LYS 10 3.939 -2.139 -3.713 57 2HB LYS 10 2HB LYS 10 2.293 -2.089 -3.113 58 1HG LYS 10 1HG LYS 10 3.113 0.633 -3.312 59 2HG LYS 10 2HG LYS 10 3.702 -0.141 -4.769 60 1HD LYS 10 1HD LYS 10 0.934 -0.932 -4.032 61 2HD LYS 10 2HD LYS 10 1.108 0.775 -4.386 62 1HE LYS 10 1HE LYS 10 2.285 0.144 -6.553 63 2HE LYS 10 2HE LYS 10 1.926 -1.537 -6.208 64 1HZ LYS 10 1HZ LYS 10 -0.217 0.444 -6.217 65 2HZ LYS 10 2HZ LYS 10 0.308 -0.208 -7.619 66 3HZ LYS 10 3HZ LYS 10 -0.315 -1.169 -6.454 67 H TYR 11 H TYR 11 2.874 -1.871 0.578 68 HA TYR 11 HA TYR 11 0.648 -0.112 0.642 69 1HB TYR 11 1HB TYR 11 0.808 -2.303 1.844 70 2HB TYR 11 2HB TYR 11 2.246 -1.767 2.688 71 HD1 TYR 11 HD1 TYR 11 -1.056 -0.067 2.148 72 HD2 TYR 11 HD2 TYR 11 1.736 -1.684 4.958 73 HE1 TYR 11 HE1 TYR 11 -2.491 0.776 4.070 74 HE2 TYR 11 HE2 TYR 11 0.292 -0.835 6.870 75 HH TYR 11 HH TYR 11 -1.606 0.062 7.428 76 H SER 12 H SER 12 0.643 2.034 1.072 77 HA SER 12 HA SER 12 2.563 2.985 3.011 78 1HB SER 12 1HB SER 12 2.853 3.430 0.206 79 2HB SER 12 2HB SER 12 2.309 4.951 0.885 80 HG SER 12 HG SER 12 4.778 4.122 0.879 81 H CYS 13 H CYS 13 0.470 2.930 4.257 82 HA CYS 13 HA CYS 13 -0.873 5.466 3.929 83 1HB CYS 13 1HB CYS 13 -2.307 4.110 2.596 84 2HB CYS 13 2HB CYS 13 -2.315 2.820 3.782 No H/Q in entry = 84 Start of MODEL 25 1 H1 ILE 1 H1 ILE 1 0.283 6.625 -3.409 2 H2 ILE 1 H2 ILE 1 1.756 6.994 -2.751 3 H3 ILE 1 H3 ILE 1 1.557 5.583 -3.594 4 HA ILE 1 HA ILE 1 1.522 4.863 -1.468 5 HB ILE 1 HB ILE 1 -0.010 6.150 0.189 6 1HG1 ILE 1 1HG1 ILE 1 0.549 8.444 -1.710 7 2HG1 ILE 1 2HG1 ILE 1 -0.958 7.505 -1.826 8 1HG2 ILE 1 1HG2 ILE 1 2.707 6.354 -0.545 9 2HG2 ILE 1 2HG2 ILE 1 2.144 8.033 -0.372 10 3HG2 ILE 1 3HG2 ILE 1 1.969 6.891 0.983 11 1HD1 ILE 1 1HD1 ILE 1 -0.866 7.957 0.865 12 2HD1 ILE 1 2HD1 ILE 1 -0.065 9.428 0.264 13 3HD1 ILE 1 3HD1 ILE 1 -1.708 9.022 -0.286 14 H CYS 2 H CYS 2 0.009 3.362 -0.588 15 HA CYS 2 HA CYS 2 -2.684 3.504 -1.640 16 1HB CYS 2 2HB CYS 2 -1.560 2.286 -3.388 17 2HB CYS 2 1HB CYS 2 -2.641 1.226 -2.507 18 H CYS 3 H CYS 3 -4.036 3.022 0.062 19 HA CYS 3 HA CYS 3 -2.823 1.813 2.398 20 1HB CYS 3 1HB CYS 3 -4.235 3.938 2.434 21 2HB CYS 3 2HB CYS 3 -5.625 2.908 2.157 22 H ASN 4 H ASN 4 -2.721 -0.214 0.812 23 HA ASN 4 HA ASN 4 -5.130 -1.730 1.381 24 1HB ASN 4 1HB ASN 4 -3.873 -1.190 -1.283 25 2HB ASN 4 2HB ASN 4 -4.281 -2.870 -0.996 26 2HD2 ASN 4 1HD2 ASN 4 -6.344 -3.535 -1.017 27 1HD2 ASN 4 2HD2 ASN 4 -7.720 -2.530 -1.324 28 HA PRO 5 HA PRO 5 -2.057 -4.605 2.629 29 1HB PRO 5 1HB PRO 5 -3.530 -6.901 2.790 30 2HB PRO 5 2HB PRO 5 -3.520 -5.679 4.046 31 1HG PRO 5 2HG PRO 5 -5.750 -5.366 3.545 32 2HG PRO 5 1HG PRO 5 -5.617 -6.266 2.048 33 1HD PRO 5 1HD PRO 5 -5.620 -4.277 0.895 34 2HD PRO 5 2HD PRO 5 -5.635 -3.376 2.398 35 H ALA 6 H ALA 6 -3.869 -5.177 -0.249 36 HA ALA 6 HA ALA 6 -2.352 -7.354 -1.166 37 1HB ALA 6 1HB ALA 6 -4.635 -6.086 -1.936 38 2HB ALA 6 2HB ALA 6 -3.493 -5.447 -3.144 39 3HB ALA 6 3HB ALA 6 -3.726 -7.203 -2.981 40 H CYS 7 H CYS 7 -1.749 -3.893 -0.949 41 HA CYS 7 HA CYS 7 0.142 -3.723 -3.009 42 1HB CYS 7 1HB CYS 7 -0.157 -2.052 -0.505 43 2HB CYS 7 2HB CYS 7 0.858 -1.647 -1.876 44 H GLY 8 H GLY 8 0.152 -4.937 0.319 45 1HA GLY 8 1HA GLY 8 1.765 -5.798 1.633 46 2HA GLY 8 2HA GLY 8 2.420 -6.442 0.142 47 HA PRO 9 HA PRO 9 5.850 -3.874 0.923 48 1HB PRO 9 1HB PRO 9 7.284 -4.386 -1.347 49 2HB PRO 9 2HB PRO 9 7.303 -5.436 0.055 50 1HG PRO 9 2HG PRO 9 6.318 -7.017 -1.306 51 2HG PRO 9 1HG PRO 9 5.933 -5.828 -2.536 52 1HD PRO 9 1HD PRO 9 3.750 -5.846 -1.819 53 2HD PRO 9 2HD PRO 9 4.159 -6.946 -0.517 54 H LYS 10 H LYS 10 3.385 -3.158 -0.977 55 HA LYS 10 HA LYS 10 4.722 -0.724 -1.938 56 1HB LYS 10 1HB LYS 10 3.955 -2.274 -3.733 57 2HB LYS 10 2HB LYS 10 2.314 -2.118 -3.142 58 1HG LYS 10 1HG LYS 10 3.209 0.549 -3.375 59 2HG LYS 10 2HG LYS 10 3.887 -0.249 -4.781 60 1HD LYS 10 1HD LYS 10 1.078 -1.026 -4.268 61 2HD LYS 10 2HD LYS 10 1.265 0.694 -4.544 62 1HE LYS 10 2HE LYS 10 2.907 -0.457 -6.514 63 2HE LYS 10 1HE LYS 10 1.317 0.235 -6.769 64 1HZ LYS 10 1HZ LYS 10 0.630 -2.132 -5.902 65 2HZ LYS 10 2HZ LYS 10 0.938 -1.844 -7.479 66 3HZ LYS 10 3HZ LYS 10 2.079 -2.537 -6.539 67 H TYR 11 H TYR 11 2.782 -1.976 0.468 68 HA TYR 11 HA TYR 11 0.660 -0.134 0.537 69 1HB TYR 11 1HB TYR 11 0.806 -2.310 1.787 70 2HB TYR 11 2HB TYR 11 2.235 -1.752 2.634 71 HD1 TYR 11 HD1 TYR 11 -1.320 -0.656 2.085 72 HD2 TYR 11 HD2 TYR 11 1.955 -1.014 4.814 73 HE1 TYR 11 HE1 TYR 11 -2.778 0.241 3.963 74 HE2 TYR 11 HE2 TYR 11 0.486 -0.115 6.683 75 HH TYR 11 HH TYR 11 -2.947 0.453 6.163 76 H SER 12 H SER 12 0.617 1.998 1.043 77 HA SER 12 HA SER 12 2.651 2.961 2.859 78 1HB SER 12 1HB SER 12 2.702 3.454 0.036 79 2HB SER 12 2HB SER 12 2.237 4.958 0.804 80 HG SER 12 HG SER 12 4.279 5.215 1.357 81 H CYS 13 H CYS 13 0.721 2.925 4.299 82 HA CYS 13 HA CYS 13 -0.728 5.410 4.038 83 1HB CYS 13 1HB CYS 13 -2.304 4.093 2.921 84 2HB CYS 13 2HB CYS 13 -2.049 2.712 3.970 No H/Q in entry = 84 Start of MODEL 26 1 H1 ILE 1 H1 ILE 1 0.892 6.416 -3.520 2 H2 ILE 1 H2 ILE 1 2.268 6.896 -2.732 3 H3 ILE 1 H3 ILE 1 2.255 5.477 -3.587 4 HA ILE 1 HA ILE 1 2.134 4.893 -1.366 5 HB ILE 1 HB ILE 1 -0.004 5.860 -0.151 6 1HG1 ILE 1 1HG1 ILE 1 0.668 8.195 -1.965 7 2HG1 ILE 1 2HG1 ILE 1 -0.627 7.046 -2.378 8 1HG2 ILE 1 1HG2 ILE 1 2.739 6.434 -0.166 9 2HG2 ILE 1 2HG2 ILE 1 1.961 8.030 -0.284 10 3HG2 ILE 1 3HG2 ILE 1 1.562 6.944 1.069 11 1HD1 ILE 1 1HD1 ILE 1 -0.461 8.452 0.313 12 2HD1 ILE 1 2HD1 ILE 1 -1.363 9.115 -1.070 13 3HD1 ILE 1 3HD1 ILE 1 -1.838 7.551 -0.366 14 H CYS 2 H CYS 2 0.198 3.614 -0.265 15 HA CYS 2 HA CYS 2 -1.903 2.916 -2.053 16 1HB CYS 2 1HB CYS 2 0.115 1.682 -2.970 17 2HB CYS 2 2HB CYS 2 0.123 0.749 -1.487 18 H CYS 3 H CYS 3 -3.464 3.054 -0.458 19 HA CYS 3 HA CYS 3 -2.815 2.073 2.184 20 1HB CYS 3 1HB CYS 3 -3.994 4.272 1.730 21 2HB CYS 3 2HB CYS 3 -5.398 3.335 1.258 22 H ASN 4 H ASN 4 -2.612 -0.164 0.957 23 HA ASN 4 HA ASN 4 -5.116 -1.492 1.415 24 1HB ASN 4 1HB ASN 4 -4.259 -0.862 -1.244 25 2HB ASN 4 2HB ASN 4 -3.929 -2.570 -1.036 26 2HD2 ASN 4 1HD2 ASN 4 -5.510 -3.955 -1.316 27 1HD2 ASN 4 2HD2 ASN 4 -7.207 -3.610 -1.350 28 HA PRO 5 HA PRO 5 -2.192 -4.480 2.747 29 1HB PRO 5 1HB PRO 5 -3.732 -6.734 2.873 30 2HB PRO 5 2HB PRO 5 -3.733 -5.502 4.120 31 1HG PRO 5 1HG PRO 5 -5.775 -6.050 2.053 32 2HG PRO 5 2HG PRO 5 -5.934 -5.134 3.539 33 1HD PRO 5 1HD PRO 5 -5.683 -4.071 0.887 34 2HD PRO 5 2HD PRO 5 -5.726 -3.159 2.382 35 H ALA 6 H ALA 6 -3.982 -5.137 -0.150 36 HA ALA 6 HA ALA 6 -2.347 -7.286 -0.978 37 1HB ALA 6 1HB ALA 6 -4.565 -5.645 -2.001 38 2HB ALA 6 2HB ALA 6 -3.420 -6.144 -3.269 39 3HB ALA 6 3HB ALA 6 -4.212 -7.371 -2.252 40 H CYS 7 H CYS 7 -1.701 -3.973 -0.539 41 HA CYS 7 HA CYS 7 -0.048 -3.585 -2.812 42 1HB CYS 7 2HB CYS 7 0.637 -1.534 -1.727 43 2HB CYS 7 1HB CYS 7 -0.055 -2.056 -0.204 44 H GLY 8 H GLY 8 0.249 -4.949 0.453 45 1HA GLY 8 1HA GLY 8 1.970 -5.866 1.577 46 2HA GLY 8 2HA GLY 8 2.536 -6.391 0.003 47 HA PRO 9 HA PRO 9 5.940 -3.773 0.745 48 1HB PRO 9 1HB PRO 9 7.267 -4.147 -1.615 49 2HB PRO 9 2HB PRO 9 7.387 -5.254 -0.263 50 1HG PRO 9 1HG PRO 9 5.894 -5.575 -2.794 51 2HG PRO 9 2HG PRO 9 6.375 -6.803 -1.639 52 1HD PRO 9 1HD PRO 9 3.753 -5.688 -1.968 53 2HD PRO 9 2HD PRO 9 4.260 -6.830 -0.740 54 H LYS 10 H LYS 10 3.367 -3.065 -1.028 55 HA LYS 10 HA LYS 10 4.581 -0.543 -1.925 56 1HB LYS 10 1HB LYS 10 3.801 -2.027 -3.762 57 2HB LYS 10 2HB LYS 10 2.181 -1.980 -3.097 58 1HG LYS 10 1HG LYS 10 3.047 0.740 -3.260 59 2HG LYS 10 2HG LYS 10 3.525 -0.010 -4.769 60 1HD LYS 10 1HD LYS 10 0.724 -0.369 -3.629 61 2HD LYS 10 2HD LYS 10 1.135 1.003 -4.639 62 1HE LYS 10 1HE LYS 10 2.167 -1.088 -6.134 63 2HE LYS 10 2HE LYS 10 0.781 -1.858 -5.387 64 1HZ LYS 10 1HZ LYS 10 0.213 0.749 -6.376 65 2HZ LYS 10 2HZ LYS 10 0.692 -0.282 -7.549 66 3HZ LYS 10 3HZ LYS 10 -0.594 -0.650 -6.612 67 H TYR 11 H TYR 11 2.811 -1.952 0.512 68 HA TYR 11 HA TYR 11 0.608 -0.231 0.751 69 1HB TYR 11 1HB TYR 11 0.980 -2.428 1.936 70 2HB TYR 11 2HB TYR 11 2.391 -1.769 2.739 71 HD1 TYR 11 HD1 TYR 11 -1.182 -0.674 2.289 72 HD2 TYR 11 HD2 TYR 11 2.061 -1.370 4.992 73 HE1 TYR 11 HE1 TYR 11 -2.634 0.074 4.236 74 HE2 TYR 11 HE2 TYR 11 0.597 -0.618 6.930 75 HH TYR 11 HH TYR 11 -1.906 -0.569 7.379 76 H SER 12 H SER 12 0.619 1.938 1.042 77 HA SER 12 HA SER 12 2.519 2.976 2.957 78 1HB SER 12 1HB SER 12 2.896 3.290 0.174 79 2HB SER 12 2HB SER 12 2.220 4.820 0.699 80 HG SER 12 HG SER 12 4.240 5.252 1.281 81 H CYS 13 H CYS 13 0.634 3.177 4.343 82 HA CYS 13 HA CYS 13 -0.888 5.554 3.727 83 1HB CYS 13 1HB CYS 13 -2.335 3.915 2.771 84 2HB CYS 13 2HB CYS 13 -2.175 2.857 4.157 No H/Q in entry = 84 Start of MODEL 27 1 H1 ILE 1 H1 ILE 1 0.268 6.357 -3.604 2 H2 ILE 1 H2 ILE 1 1.584 7.025 -2.855 3 H3 ILE 1 H3 ILE 1 1.712 5.547 -3.589 4 HA ILE 1 HA ILE 1 1.514 4.817 -1.529 5 HB ILE 1 HB ILE 1 -0.022 6.143 0.094 6 1HG1 ILE 1 1HG1 ILE 1 0.553 8.419 -1.811 7 2HG1 ILE 1 2HG1 ILE 1 -0.930 7.452 -1.995 8 1HG2 ILE 1 1HG2 ILE 1 2.689 6.288 -0.589 9 2HG2 ILE 1 2HG2 ILE 1 2.162 7.987 -0.562 10 3HG2 ILE 1 3HG2 ILE 1 1.938 6.963 0.876 11 1HD1 ILE 1 1HD1 ILE 1 -0.120 8.627 0.682 12 2HD1 ILE 1 2HD1 ILE 1 -1.067 9.562 -0.501 13 3HD1 ILE 1 3HD1 ILE 1 -1.721 8.046 0.164 14 H CYS 2 H CYS 2 0.004 3.333 -0.618 15 HA CYS 2 HA CYS 2 -2.692 3.449 -1.663 16 1HB CYS 2 1HB CYS 2 -2.630 1.123 -2.452 17 2HB CYS 2 2HB CYS 2 -1.627 2.202 -3.400 18 H CYS 3 H CYS 3 -4.048 2.963 0.038 19 HA CYS 3 HA CYS 3 -2.819 1.813 2.398 20 1HB CYS 3 1HB CYS 3 -4.246 3.931 2.396 21 2HB CYS 3 2HB CYS 3 -5.628 2.883 2.147 22 H ASN 4 H ASN 4 -2.703 -0.245 0.859 23 HA ASN 4 HA ASN 4 -5.093 -1.771 1.470 24 1HB ASN 4 1HB ASN 4 -3.759 -1.416 -1.230 25 2HB ASN 4 2HB ASN 4 -4.484 -2.968 -0.859 26 2HD2 ASN 4 1HD2 ASN 4 -5.351 -1.302 -2.905 27 1HD2 ASN 4 2HD2 ASN 4 -6.955 -0.739 -2.574 28 HA PRO 5 HA PRO 5 -1.974 -4.609 2.685 29 1HB PRO 5 1HB PRO 5 -3.418 -6.922 2.875 30 2HB PRO 5 2HB PRO 5 -3.407 -5.695 4.125 31 1HG PRO 5 1HG PRO 5 -5.522 -6.315 2.155 32 2HG PRO 5 2HG PRO 5 -5.646 -5.410 3.650 33 1HD PRO 5 1HD PRO 5 -5.563 -4.332 0.994 34 2HD PRO 5 2HD PRO 5 -5.570 -3.425 2.493 35 H ALA 6 H ALA 6 -3.807 -5.201 -0.173 36 HA ALA 6 HA ALA 6 -2.288 -7.371 -1.100 37 1HB ALA 6 1HB ALA 6 -4.588 -6.183 -1.850 38 2HB ALA 6 3HB ALA 6 -3.628 -7.197 -2.955 39 3HB ALA 6 2HB ALA 6 -3.488 -5.423 -3.025 40 H CYS 7 H CYS 7 -1.695 -3.907 -0.888 41 HA CYS 7 HA CYS 7 0.187 -3.741 -2.961 42 1HB CYS 7 1HB CYS 7 -0.133 -2.051 -0.472 43 2HB CYS 7 2HB CYS 7 0.898 -1.653 -1.832 44 H GLY 8 H GLY 8 0.210 -4.929 0.375 45 1HA GLY 8 1HA GLY 8 1.831 -5.770 1.694 46 2HA GLY 8 2HA GLY 8 2.489 -6.420 0.206 47 HA PRO 9 HA PRO 9 5.901 -3.822 0.962 48 1HB PRO 9 1HB PRO 9 7.334 -4.336 -1.308 49 2HB PRO 9 2HB PRO 9 7.363 -5.379 0.101 50 1HG PRO 9 2HG PRO 9 6.386 -6.974 -1.250 51 2HG PRO 9 1HG PRO 9 5.991 -5.794 -2.485 52 1HD PRO 9 1HD PRO 9 3.809 -5.824 -1.762 53 2HD PRO 9 2HD PRO 9 4.230 -6.914 -0.456 54 H LYS 10 H LYS 10 3.426 -3.134 -0.935 55 HA LYS 10 HA LYS 10 4.745 -0.697 -1.914 56 1HB LYS 10 1HB LYS 10 3.991 -2.238 -3.708 57 2HB LYS 10 2HB LYS 10 2.352 -2.139 -3.097 58 1HG LYS 10 1HG LYS 10 3.232 0.559 -3.345 59 2HG LYS 10 2HG LYS 10 3.796 -0.250 -4.793 60 1HD LYS 10 1HD LYS 10 0.979 -0.846 -3.934 61 2HD LYS 10 2HD LYS 10 1.284 0.764 -4.554 62 1HE LYS 10 1HE LYS 10 1.610 0.019 -6.702 63 2HE LYS 10 2HE LYS 10 2.532 -1.379 -6.187 64 1HZ LYS 10 1HZ LYS 10 -0.382 -1.183 -5.881 65 2HZ LYS 10 2HZ LYS 10 0.344 -1.879 -7.170 66 3HZ LYS 10 3HZ LYS 10 0.544 -2.513 -5.678 67 H TYR 11 H TYR 11 2.797 -1.961 0.492 68 HA TYR 11 HA TYR 11 0.672 -0.130 0.568 69 1HB TYR 11 1HB TYR 11 0.855 -2.293 1.839 70 2HB TYR 11 2HB TYR 11 2.280 -1.706 2.673 71 HD1 TYR 11 HD1 TYR 11 -1.176 -0.347 2.066 72 HD2 TYR 11 HD2 TYR 11 1.885 -1.268 4.909 73 HE1 TYR 11 HE1 TYR 11 -2.639 0.551 3.943 74 HE2 TYR 11 HE2 TYR 11 0.414 -0.367 6.775 75 HH TYR 11 HH TYR 11 -2.896 0.310 6.294 76 H SER 12 H SER 12 0.624 2.011 1.028 77 HA SER 12 HA SER 12 2.644 3.014 2.837 78 1HB SER 12 1HB SER 12 2.708 3.459 0.006 79 2HB SER 12 2HB SER 12 2.231 4.974 0.746 80 HG SER 12 HG SER 12 4.689 4.110 0.530 81 H CYS 13 H CYS 13 0.725 3.010 4.279 82 HA CYS 13 HA CYS 13 -0.748 5.473 3.955 83 1HB CYS 13 1HB CYS 13 -2.325 4.135 2.882 84 2HB CYS 13 2HB CYS 13 -2.038 2.763 3.933 No H/Q in entry = 84 Start of MODEL 28 1 H1 ILE 1 H1 ILE 1 0.609 6.471 -3.702 2 H2 ILE 1 H2 ILE 1 2.096 6.867 -3.090 3 H3 ILE 1 H3 ILE 1 1.869 5.404 -3.833 4 HA ILE 1 HA ILE 1 1.843 4.808 -1.678 5 HB ILE 1 HB ILE 1 0.330 6.283 -0.105 6 1HG1 ILE 1 1HG1 ILE 1 1.211 8.480 -1.960 7 2HG1 ILE 1 2HG1 ILE 1 -0.297 7.611 -2.331 8 1HG2 ILE 1 1HG2 ILE 1 3.084 6.197 -0.778 9 2HG2 ILE 1 2HG2 ILE 1 2.665 7.922 -0.637 10 3HG2 ILE 1 3HG2 ILE 1 2.358 6.818 0.724 11 1HD1 ILE 1 1HD1 ILE 1 0.270 8.711 0.440 12 2HD1 ILE 1 2HD1 ILE 1 -0.478 9.711 -0.828 13 3HD1 ILE 1 3HD1 ILE 1 -1.293 8.232 -0.265 14 H CYS 2 H CYS 2 0.284 3.446 -0.640 15 HA CYS 2 HA CYS 2 -2.388 3.569 -1.791 16 1HB CYS 2 2HB CYS 2 -0.581 1.813 -2.811 17 2HB CYS 2 1HB CYS 2 -2.321 1.611 -2.842 18 H CYS 3 H CYS 3 -3.878 2.007 -0.468 19 HA CYS 3 HA CYS 3 -2.855 1.698 2.248 20 1HB CYS 3 1HB CYS 3 -4.239 3.844 1.880 21 2HB CYS 3 2HB CYS 3 -5.621 2.774 1.742 22 H ASN 4 H ASN 4 -2.752 -0.470 0.764 23 HA ASN 4 HA ASN 4 -5.139 -1.919 1.525 24 1HB ASN 4 1HB ASN 4 -4.386 -1.300 -1.206 25 2HB ASN 4 2HB ASN 4 -4.168 -3.023 -0.969 26 2HD2 ASN 4 1HD2 ASN 4 -5.847 -3.965 -1.865 27 1HD2 ASN 4 2HD2 ASN 4 -7.518 -3.615 -1.570 28 HA PRO 5 HA PRO 5 -2.033 -4.812 2.632 29 1HB PRO 5 1HB PRO 5 -3.467 -7.132 2.804 30 2HB PRO 5 2HB PRO 5 -3.450 -5.919 4.070 31 1HG PRO 5 1HG PRO 5 -5.578 -6.523 2.109 32 2HG PRO 5 2HG PRO 5 -5.694 -5.638 3.616 33 1HD PRO 5 1HD PRO 5 -5.634 -4.526 0.973 34 2HD PRO 5 2HD PRO 5 -5.633 -3.638 2.484 35 H ALA 6 H ALA 6 -3.909 -5.419 -0.203 36 HA ALA 6 HA ALA 6 -2.359 -7.550 -1.167 37 1HB ALA 6 1HB ALA 6 -4.695 -6.350 -1.872 38 2HB ALA 6 3HB ALA 6 -3.777 -7.426 -2.954 39 3HB ALA 6 2HB ALA 6 -3.608 -5.661 -3.102 40 H CYS 7 H CYS 7 -1.727 -4.151 -0.786 41 HA CYS 7 HA CYS 7 0.076 -3.899 -2.954 42 1HB CYS 7 2HB CYS 7 0.728 -1.799 -1.900 43 2HB CYS 7 1HB CYS 7 -0.130 -2.235 -0.435 44 H GLY 8 H GLY 8 0.185 -5.022 0.425 45 1HA GLY 8 1HA GLY 8 1.825 -5.903 1.686 46 2HA GLY 8 2HA GLY 8 2.493 -6.504 0.181 47 HA PRO 9 HA PRO 9 5.835 -3.833 1.014 48 1HB PRO 9 1HB PRO 9 7.328 -4.341 -1.218 49 2HB PRO 9 2HB PRO 9 7.352 -5.365 0.204 50 1HG PRO 9 2HG PRO 9 6.443 -6.999 -1.146 51 2HG PRO 9 1HG PRO 9 6.046 -5.845 -2.404 52 1HD PRO 9 1HD PRO 9 3.849 -5.919 -1.728 53 2HD PRO 9 2HD PRO 9 4.268 -6.982 -0.399 54 H LYS 10 H LYS 10 3.385 -3.229 -0.944 55 HA LYS 10 HA LYS 10 4.673 -0.794 -1.966 56 1HB LYS 10 1HB LYS 10 3.869 -2.429 -3.686 57 2HB LYS 10 2HB LYS 10 2.238 -2.214 -3.082 58 1HG LYS 10 1HG LYS 10 3.064 0.418 -3.418 59 2HG LYS 10 2HG LYS 10 3.896 -0.384 -4.735 60 1HD LYS 10 2HD LYS 10 1.302 -1.502 -4.779 61 2HD LYS 10 1HD LYS 10 1.956 -0.330 -5.907 62 1HE LYS 10 1HE LYS 10 0.012 0.062 -3.699 63 2HE LYS 10 2HE LYS 10 1.278 1.273 -3.727 64 1HZ LYS 10 1HZ LYS 10 -0.091 0.551 -6.199 65 2HZ LYS 10 2HZ LYS 10 -0.784 1.604 -5.160 66 3HZ LYS 10 3HZ LYS 10 0.672 1.945 -5.819 67 H TYR 11 H TYR 11 2.762 -2.008 0.496 68 HA TYR 11 HA TYR 11 0.644 -0.159 0.552 69 1HB TYR 11 1HB TYR 11 0.837 -2.334 1.830 70 2HB TYR 11 2HB TYR 11 2.230 -1.710 2.692 71 HD1 TYR 11 HD1 TYR 11 -1.368 -0.834 2.068 72 HD2 TYR 11 HD2 TYR 11 1.907 -0.835 4.821 73 HE1 TYR 11 HE1 TYR 11 -2.893 0.065 3.894 74 HE2 TYR 11 HE2 TYR 11 0.372 0.063 6.637 75 HH TYR 11 HH TYR 11 -3.090 0.426 6.054 76 H SER 12 H SER 12 0.677 1.999 0.910 77 HA SER 12 HA SER 12 2.645 2.987 2.782 78 1HB SER 12 1HB SER 12 2.864 3.342 -0.059 79 2HB SER 12 2HB SER 12 2.420 4.896 0.618 80 HG SER 12 HG SER 12 4.625 3.249 1.529 81 H CYS 13 H CYS 13 0.606 3.054 4.084 82 HA CYS 13 HA CYS 13 -0.717 5.584 3.651 83 1HB CYS 13 1HB CYS 13 -2.264 4.302 2.458 84 2HB CYS 13 2HB CYS 13 -2.143 2.940 3.555 No H/Q in entry = 84 Start of MODEL 29 1 H1 ILE 1 H1 ILE 1 0.402 6.874 -3.336 2 H2 ILE 1 H2 ILE 1 1.820 7.465 -2.719 3 H3 ILE 1 H3 ILE 1 1.827 6.087 -3.637 4 HA ILE 1 HA ILE 1 2.016 5.233 -1.581 5 HB ILE 1 HB ILE 1 0.258 6.245 0.170 6 1HG1 ILE 1 1HG1 ILE 1 0.962 8.717 -1.422 7 2HG1 ILE 1 2HG1 ILE 1 -0.509 7.795 -1.812 8 1HG2 ILE 1 1HG2 ILE 1 3.006 6.432 -0.324 9 2HG2 ILE 1 2HG2 ILE 1 2.489 8.125 -0.140 10 3HG2 ILE 1 3HG2 ILE 1 2.168 6.950 1.158 11 1HD1 ILE 1 1HD1 ILE 1 -0.323 8.105 1.053 12 2HD1 ILE 1 2HD1 ILE 1 -0.141 9.699 0.282 13 3HD1 ILE 1 3HD1 ILE 1 -1.581 8.707 -0.053 14 H CYS 2 H CYS 2 0.937 3.359 -0.990 15 HA CYS 2 HA CYS 2 -1.629 3.012 -2.335 16 1HB CYS 2 1HB CYS 2 0.344 1.487 -2.812 17 2HB CYS 2 2HB CYS 2 0.145 0.854 -1.190 18 H CYS 3 H CYS 3 -3.417 2.036 -1.126 19 HA CYS 3 HA CYS 3 -3.029 2.079 1.770 20 1HB CYS 3 1HB CYS 3 -4.158 4.177 0.795 21 2HB CYS 3 2HB CYS 3 -5.535 3.141 0.482 22 H ASN 4 H ASN 4 -2.743 -0.313 1.056 23 HA ASN 4 HA ASN 4 -5.210 -1.604 1.527 24 1HB ASN 4 1HB ASN 4 -4.435 -1.216 -1.220 25 2HB ASN 4 2HB ASN 4 -4.163 -2.909 -0.859 26 2HD2 ASN 4 1HD2 ASN 4 -5.813 -3.769 -1.974 27 1HD2 ASN 4 2HD2 ASN 4 -7.493 -3.525 -1.627 28 HA PRO 5 HA PRO 5 -2.251 -4.525 2.917 29 1HB PRO 5 1HB PRO 5 -3.698 -6.841 3.027 30 2HB PRO 5 2HB PRO 5 -3.786 -5.596 4.257 31 1HG PRO 5 1HG PRO 5 -5.742 -6.253 2.139 32 2HG PRO 5 2HG PRO 5 -5.984 -5.328 3.607 33 1HD PRO 5 1HD PRO 5 -5.698 -4.287 0.950 34 2HD PRO 5 2HD PRO 5 -5.824 -3.358 2.431 35 H ALA 6 H ALA 6 -3.968 -5.384 0.012 36 HA ALA 6 HA ALA 6 -2.211 -7.441 -0.747 37 1HB ALA 6 1HB ALA 6 -4.445 -5.882 -1.877 38 2HB ALA 6 2HB ALA 6 -3.249 -6.400 -3.091 39 3HB ALA 6 3HB ALA 6 -4.050 -7.608 -2.057 40 H CYS 7 H CYS 7 -1.808 -4.028 -0.482 41 HA CYS 7 HA CYS 7 -0.120 -3.582 -2.664 42 1HB CYS 7 2HB CYS 7 0.551 -1.561 -1.507 43 2HB CYS 7 1HB CYS 7 -0.113 -2.153 0.002 44 H GLY 8 H GLY 8 0.302 -4.936 0.615 45 1HA GLY 8 1HA GLY 8 2.067 -5.850 1.668 46 2HA GLY 8 2HA GLY 8 2.568 -6.390 0.079 47 HA PRO 9 HA PRO 9 5.992 -3.756 0.657 48 1HB PRO 9 1HB PRO 9 7.232 -4.166 -1.743 49 2HB PRO 9 2HB PRO 9 7.405 -5.251 -0.378 50 1HG PRO 9 1HG PRO 9 5.822 -5.618 -2.847 51 2HG PRO 9 2HG PRO 9 6.348 -6.825 -1.691 52 1HD PRO 9 1HD PRO 9 3.712 -5.722 -1.942 53 2HD PRO 9 2HD PRO 9 4.267 -6.841 -0.712 54 H LYS 10 H LYS 10 3.349 -3.071 -1.004 55 HA LYS 10 HA LYS 10 4.526 -0.570 -2.004 56 1HB LYS 10 1HB LYS 10 3.578 -2.220 -3.710 57 2HB LYS 10 2HB LYS 10 1.998 -1.868 -3.039 58 1HG LYS 10 1HG LYS 10 3.256 0.665 -3.438 59 2HG LYS 10 2HG LYS 10 3.601 -0.272 -4.878 60 1HD LYS 10 1HD LYS 10 0.785 -0.393 -3.835 61 2HD LYS 10 2HD LYS 10 1.293 1.123 -4.553 62 1HE LYS 10 1HE LYS 10 1.707 0.135 -6.676 63 2HE LYS 10 2HE LYS 10 1.846 -1.479 -6.009 64 1HZ LYS 10 1HZ LYS 10 -0.685 -0.130 -5.651 65 2HZ LYS 10 2HZ LYS 10 -0.326 -0.637 -7.161 66 3HZ LYS 10 3HZ LYS 10 -0.378 -1.710 -5.932 67 H TYR 11 H TYR 11 2.754 -1.991 0.474 68 HA TYR 11 HA TYR 11 0.605 -0.246 0.794 69 1HB TYR 11 1HB TYR 11 1.100 -2.447 1.984 70 2HB TYR 11 2HB TYR 11 2.459 -1.688 2.791 71 HD1 TYR 11 HD1 TYR 11 -0.755 0.064 2.272 72 HD2 TYR 11 HD2 TYR 11 1.666 -2.138 5.028 73 HE1 TYR 11 HE1 TYR 11 -2.277 0.768 4.183 74 HE2 TYR 11 HE2 TYR 11 0.135 -1.427 6.929 75 HH TYR 11 HH TYR 11 -2.355 -0.731 7.069 76 H SER 12 H SER 12 0.610 1.926 1.064 77 HA SER 12 HA SER 12 2.588 3.000 2.878 78 1HB SER 12 1HB SER 12 2.595 3.418 -0.009 79 2HB SER 12 2HB SER 12 2.344 4.942 0.818 80 HG SER 12 HG SER 12 4.558 4.723 0.722 81 H CYS 13 H CYS 13 0.303 2.746 3.990 82 HA CYS 13 HA CYS 13 -0.920 5.358 3.839 83 1HB CYS 13 1HB CYS 13 -2.213 3.991 2.238 84 2HB CYS 13 2HB CYS 13 -2.570 2.843 3.513 No H/Q in entry = 84 Start of MODEL 30 1 H1 ILE 1 H1 ILE 1 0.148 6.769 -3.408 2 H2 ILE 1 H2 ILE 1 1.592 7.365 -2.856 3 H3 ILE 1 H3 ILE 1 1.559 5.973 -3.752 4 HA ILE 1 HA ILE 1 1.831 5.159 -1.686 5 HB ILE 1 HB ILE 1 0.126 6.191 0.104 6 1HG1 ILE 1 1HG1 ILE 1 0.762 8.635 -1.558 7 2HG1 ILE 1 2HG1 ILE 1 -0.722 7.702 -1.869 8 1HG2 ILE 1 1HG2 ILE 1 2.869 6.451 -0.555 9 2HG2 ILE 1 2HG2 ILE 1 2.291 8.102 -0.225 10 3HG2 ILE 1 3HG2 ILE 1 2.095 6.828 1.003 11 1HD1 ILE 1 1HD1 ILE 1 -0.060 8.443 0.972 12 2HD1 ILE 1 2HD1 ILE 1 -0.705 9.704 -0.108 13 3HD1 ILE 1 3HD1 ILE 1 -1.648 8.226 0.197 14 H CYS 2 H CYS 2 0.783 3.290 -1.027 15 HA CYS 2 HA CYS 2 -1.824 2.905 -2.278 16 1HB CYS 2 1HB CYS 2 0.140 1.382 -2.797 17 2HB CYS 2 2HB CYS 2 0.003 0.777 -1.158 18 H CYS 3 H CYS 3 -3.560 1.922 -0.993 19 HA CYS 3 HA CYS 3 -3.076 2.023 1.888 20 1HB CYS 3 1HB CYS 3 -4.251 4.098 0.920 21 2HB CYS 3 2HB CYS 3 -5.630 3.048 0.664 22 H ASN 4 H ASN 4 -2.798 -0.378 1.197 23 HA ASN 4 HA ASN 4 -5.235 -1.678 1.777 24 1HB ASN 4 1HB ASN 4 -4.564 -1.327 -1.001 25 2HB ASN 4 2HB ASN 4 -4.268 -3.013 -0.625 26 2HD2 ASN 4 1HD2 ASN 4 -6.239 -2.212 -2.368 27 1HD2 ASN 4 2HD2 ASN 4 -7.807 -2.560 -1.720 28 HA PRO 5 HA PRO 5 -2.206 -4.559 3.101 29 1HB PRO 5 1HB PRO 5 -3.631 -6.883 3.299 30 2HB PRO 5 2HB PRO 5 -3.685 -5.620 4.511 31 1HG PRO 5 1HG PRO 5 -5.710 -6.322 2.476 32 2HG PRO 5 2HG PRO 5 -5.906 -5.376 3.938 33 1HD PRO 5 1HD PRO 5 -5.725 -4.373 1.258 34 2HD PRO 5 2HD PRO 5 -5.803 -3.424 2.729 35 H ALA 6 H ALA 6 -4.022 -5.473 0.275 36 HA ALA 6 HA ALA 6 -2.277 -7.528 -0.519 37 1HB ALA 6 1HB ALA 6 -4.629 -7.154 -1.312 38 2HB ALA 6 3HB ALA 6 -3.459 -7.374 -2.635 39 3HB ALA 6 2HB ALA 6 -4.051 -5.744 -2.232 40 H CYS 7 H CYS 7 -1.881 -4.116 -0.303 41 HA CYS 7 HA CYS 7 -0.287 -3.684 -2.560 42 1HB CYS 7 2HB CYS 7 0.412 -1.642 -1.456 43 2HB CYS 7 1HB CYS 7 -0.191 -2.219 0.084 44 H GLY 8 H GLY 8 0.271 -4.985 0.721 45 1HA GLY 8 1HA GLY 8 2.081 -5.877 1.717 46 2HA GLY 8 2HA GLY 8 2.531 -6.428 0.114 47 HA PRO 9 HA PRO 9 5.947 -3.755 0.545 48 1HB PRO 9 1HB PRO 9 7.108 -4.183 -1.891 49 2HB PRO 9 2HB PRO 9 7.339 -5.249 -0.520 50 1HG PRO 9 1HG PRO 9 5.675 -5.661 -2.929 51 2HG PRO 9 2HG PRO 9 6.252 -6.849 -1.777 52 1HD PRO 9 1HD PRO 9 3.599 -5.774 -1.949 53 2HD PRO 9 2HD PRO 9 4.207 -6.873 -0.728 54 H LYS 10 H LYS 10 3.242 -3.116 -1.032 55 HA LYS 10 HA LYS 10 4.358 -0.618 -2.104 56 1HB LYS 10 1HB LYS 10 3.367 -2.288 -3.757 57 2HB LYS 10 2HB LYS 10 1.809 -1.961 -3.026 58 1HG LYS 10 1HG LYS 10 2.350 0.562 -3.436 59 2HG LYS 10 2HG LYS 10 3.630 -0.009 -4.487 60 1HD LYS 10 1HD LYS 10 1.176 -1.455 -5.089 61 2HD LYS 10 2HD LYS 10 0.850 0.267 -5.106 62 1HE LYS 10 1HE LYS 10 3.382 -0.559 -6.467 63 2HE LYS 10 2HE LYS 10 1.908 -1.118 -7.233 64 1HZ LYS 10 1HZ LYS 10 1.556 1.534 -6.497 65 2HZ LYS 10 2HZ LYS 10 2.984 1.428 -7.284 66 3HZ LYS 10 3HZ LYS 10 1.613 0.904 -8.002 67 H TYR 11 H TYR 11 2.687 -2.023 0.453 68 HA TYR 11 HA TYR 11 0.538 -0.291 0.834 69 1HB TYR 11 1HB TYR 11 1.106 -2.470 2.036 70 2HB TYR 11 2HB TYR 11 2.483 -1.683 2.782 71 HD1 TYR 11 HD1 TYR 11 1.864 0.545 4.142 72 HD2 TYR 11 HD2 TYR 11 -0.859 -2.635 3.261 73 HE1 TYR 11 HE1 TYR 11 0.392 1.257 6.091 74 HE2 TYR 11 HE2 TYR 11 -2.321 -1.914 5.212 75 HH TYR 11 HH TYR 11 -2.564 -0.558 6.871 76 H SER 12 H SER 12 0.538 1.886 1.061 77 HA SER 12 HA SER 12 2.566 3.005 2.790 78 1HB SER 12 1HB SER 12 2.473 3.373 -0.103 79 2HB SER 12 2HB SER 12 2.238 4.910 0.706 80 HG SER 12 HG SER 12 4.323 3.211 1.665 81 H CYS 13 H CYS 13 0.325 2.757 3.983 82 HA CYS 13 HA CYS 13 -0.927 5.356 3.823 83 1HB CYS 13 1HB CYS 13 -2.267 3.960 2.298 84 2HB CYS 13 2HB CYS 13 -2.555 2.816 3.594 No H/Q in entry = 84 Start of MODEL 31 1 H1 ILE 1 H1 ILE 1 0.233 6.755 -3.458 2 H2 ILE 1 H2 ILE 1 1.678 7.346 -2.904 3 H3 ILE 1 H3 ILE 1 1.640 5.950 -3.794 4 HA ILE 1 HA ILE 1 1.903 5.148 -1.722 5 HB ILE 1 HB ILE 1 0.188 6.189 0.054 6 1HG1 ILE 1 1HG1 ILE 1 0.834 8.623 -1.620 7 2HG1 ILE 1 2HG1 ILE 1 -0.651 7.690 -1.928 8 1HG2 ILE 1 1HG2 ILE 1 2.908 6.331 -0.461 9 2HG2 ILE 1 2HG2 ILE 1 2.434 8.046 -0.417 10 3HG2 ILE 1 3HG2 ILE 1 2.100 6.995 0.979 11 1HD1 ILE 1 1HD1 ILE 1 -0.982 7.876 0.676 12 2HD1 ILE 1 2HD1 ILE 1 0.156 9.238 0.539 13 3HD1 ILE 1 3HD1 ILE 1 -1.383 9.269 -0.357 14 H CYS 2 H CYS 2 0.850 3.282 -1.059 15 HA CYS 2 HA CYS 2 -1.749 2.892 -2.326 16 1HB CYS 2 1HB CYS 2 0.218 1.366 -2.821 17 2HB CYS 2 2HB CYS 2 0.066 0.769 -1.181 18 H CYS 3 H CYS 3 -3.490 1.902 -1.045 19 HA CYS 3 HA CYS 3 -3.027 2.023 1.837 20 1HB CYS 3 1HB CYS 3 -4.193 4.095 0.855 21 2HB CYS 3 2HB CYS 3 -5.572 3.046 0.592 22 H ASN 4 H ASN 4 -2.745 -0.382 1.151 23 HA ASN 4 HA ASN 4 -5.184 -1.680 1.730 24 1HB ASN 4 1HB ASN 4 -4.456 -1.361 -1.060 25 2HB ASN 4 2HB ASN 4 -4.266 -3.053 -0.647 26 2HD2 ASN 4 1HD2 ASN 4 -6.219 -1.710 -2.352 27 1HD2 ASN 4 2HD2 ASN 4 -7.793 -2.114 -1.752 28 HA PRO 5 HA PRO 5 -2.153 -4.556 3.060 29 1HB PRO 5 1HB PRO 5 -3.585 -6.872 3.284 30 2HB PRO 5 2HB PRO 5 -3.627 -5.600 4.489 31 1HG PRO 5 2HG PRO 5 -5.850 -5.352 3.927 32 2HG PRO 5 1HG PRO 5 -5.667 -6.310 2.471 33 1HD PRO 5 1HD PRO 5 -5.682 -4.369 1.238 34 2HD PRO 5 2HD PRO 5 -5.749 -3.409 2.703 35 H ALA 6 H ALA 6 -3.975 -5.448 0.237 36 HA ALA 6 HA ALA 6 -2.255 -7.531 -0.549 37 1HB ALA 6 1HB ALA 6 -4.495 -5.939 -1.668 38 2HB ALA 6 2HB ALA 6 -3.369 -6.608 -2.874 39 3HB ALA 6 3HB ALA 6 -4.194 -7.692 -1.728 40 H CYS 7 H CYS 7 -1.783 -4.148 -0.292 41 HA CYS 7 HA CYS 7 -0.180 -3.753 -2.572 42 1HB CYS 7 1HB CYS 7 -0.131 -2.226 0.037 43 2HB CYS 7 2HB CYS 7 0.504 -1.687 -1.505 44 H GLY 8 H GLY 8 0.309 -5.000 0.737 45 1HA GLY 8 1HA GLY 8 2.097 -5.870 1.788 46 2HA GLY 8 2HA GLY 8 2.579 -6.449 0.206 47 HA PRO 9 HA PRO 9 5.988 -3.772 0.657 48 1HB PRO 9 1HB PRO 9 7.195 -4.239 -1.750 49 2HB PRO 9 2HB PRO 9 7.399 -5.284 -0.359 50 1HG PRO 9 2HG PRO 9 6.334 -6.902 -1.611 51 2HG PRO 9 1HG PRO 9 5.780 -5.732 -2.791 52 1HD PRO 9 1HD PRO 9 3.685 -5.828 -1.850 53 2HD PRO 9 2HD PRO 9 4.269 -6.908 -0.600 54 H LYS 10 H LYS 10 3.314 -3.157 -0.983 55 HA LYS 10 HA LYS 10 4.454 -0.675 -2.070 56 1HB LYS 10 1HB LYS 10 3.510 -2.349 -3.730 57 2HB LYS 10 2HB LYS 10 1.935 -2.057 -3.023 58 1HG LYS 10 1HG LYS 10 2.881 0.533 -3.431 59 2HG LYS 10 2HG LYS 10 3.551 -0.323 -4.805 60 1HD LYS 10 1HD LYS 10 1.220 -1.264 -5.255 61 2HD LYS 10 2HD LYS 10 0.610 -0.214 -3.992 62 1HE LYS 10 1HE LYS 10 0.314 1.274 -5.716 63 2HE LYS 10 2HE LYS 10 2.011 1.622 -5.456 64 1HZ LYS 10 1HZ LYS 10 2.132 -0.496 -7.056 65 2HZ LYS 10 2HZ LYS 10 0.767 0.210 -7.608 66 3HZ LYS 10 3HZ LYS 10 2.167 1.049 -7.584 67 H TYR 11 H TYR 11 2.758 -2.027 0.489 68 HA TYR 11 HA TYR 11 0.595 -0.286 0.794 69 1HB TYR 11 1HB TYR 11 1.108 -2.452 2.031 70 2HB TYR 11 2HB TYR 11 2.487 -1.681 2.789 71 HD1 TYR 11 HD1 TYR 11 -1.124 -0.737 2.317 72 HD2 TYR 11 HD2 TYR 11 2.137 -1.262 5.036 73 HE1 TYR 11 HE1 TYR 11 -2.598 0.023 4.244 74 HE2 TYR 11 HE2 TYR 11 0.652 -0.500 6.954 75 HH TYR 11 HH TYR 11 -2.776 -0.011 6.493 76 H SER 12 H SER 12 0.590 1.889 1.028 77 HA SER 12 HA SER 12 2.605 3.012 2.768 78 1HB SER 12 1HB SER 12 2.536 3.370 -0.127 79 2HB SER 12 2HB SER 12 2.292 4.910 0.674 80 HG SER 12 HG SER 12 4.585 4.244 0.253 81 H CYS 13 H CYS 13 0.357 2.772 3.949 82 HA CYS 13 HA CYS 13 -0.891 5.370 3.771 83 1HB CYS 13 1HB CYS 13 -2.225 3.974 2.241 84 2HB CYS 13 2HB CYS 13 -2.518 2.830 3.535 No H/Q in entry = 84 Start of MODEL 32 1 H1 ILE 1 H1 ILE 1 -0.113 7.005 -3.197 2 H2 ILE 1 H2 ILE 1 1.422 7.454 -2.771 3 H3 ILE 1 H3 ILE 1 1.182 6.109 -3.706 4 HA ILE 1 HA ILE 1 1.637 5.283 -1.635 5 HB ILE 1 HB ILE 1 -0.053 6.234 0.222 6 1HG1 ILE 1 1HG1 ILE 1 0.501 8.681 -1.490 7 2HG1 ILE 1 2HG1 ILE 1 -1.031 7.779 -1.593 8 1HG2 ILE 1 1HG2 ILE 1 2.654 6.428 -0.359 9 2HG2 ILE 1 2HG2 ILE 1 2.159 8.134 -0.231 10 3HG2 ILE 1 3HG2 ILE 1 1.875 7.020 1.128 11 1HD1 ILE 1 1HD1 ILE 1 0.036 8.661 1.096 12 2HD1 ILE 1 2HD1 ILE 1 -0.849 9.812 0.064 13 3HD1 ILE 1 3HD1 ILE 1 -1.642 8.314 0.611 14 H CYS 2 H CYS 2 0.643 3.376 -0.997 15 HA CYS 2 HA CYS 2 -1.985 2.969 -2.194 16 1HB CYS 2 1HB CYS 2 -0.001 1.501 -2.796 17 2HB CYS 2 2HB CYS 2 -0.093 0.850 -1.172 18 H CYS 3 H CYS 3 -3.641 1.832 -0.890 19 HA CYS 3 HA CYS 3 -3.098 1.898 1.978 20 1HB CYS 3 1HB CYS 3 -4.333 3.977 1.124 21 2HB CYS 3 2HB CYS 3 -5.695 2.914 0.831 22 H ASN 4 H ASN 4 -2.782 -0.472 1.076 23 HA ASN 4 HA ASN 4 -5.149 -1.862 1.756 24 1HB ASN 4 2HB ASN 4 -5.347 -3.161 -0.358 25 2HB ASN 4 1HB ASN 4 -4.016 -2.264 -1.063 26 2HD2 ASN 4 1HD2 ASN 4 -4.250 -0.016 -1.469 27 1HD2 ASN 4 2HD2 ASN 4 -5.804 0.694 -1.754 28 HA PRO 5 HA PRO 5 -1.948 -4.686 2.760 29 1HB PRO 5 1HB PRO 5 -3.332 -7.020 3.090 30 2HB PRO 5 2HB PRO 5 -3.262 -5.767 4.312 31 1HG PRO 5 1HG PRO 5 -5.489 -6.467 2.498 32 2HG PRO 5 2HG PRO 5 -5.533 -5.533 3.981 33 1HD PRO 5 1HD PRO 5 -5.644 -4.509 1.303 34 2HD PRO 5 2HD PRO 5 -5.571 -3.571 2.782 35 H ALA 6 H ALA 6 -3.936 -5.340 0.029 36 HA ALA 6 HA ALA 6 -2.411 -7.502 -0.946 37 1HB ALA 6 2HB ALA 6 -4.021 -5.544 -2.609 38 2HB ALA 6 1HB ALA 6 -4.801 -6.742 -1.549 39 3HB ALA 6 3HB ALA 6 -3.757 -7.282 -2.886 40 H CYS 7 H CYS 7 -1.657 -4.209 -0.492 41 HA CYS 7 HA CYS 7 -0.051 -3.933 -2.847 42 1HB CYS 7 2HB CYS 7 0.616 -1.794 -1.887 43 2HB CYS 7 1HB CYS 7 -0.160 -2.201 -0.369 44 H GLY 8 H GLY 8 0.216 -5.084 0.488 45 1HA GLY 8 1HA GLY 8 1.941 -5.860 1.713 46 2HA GLY 8 2HA GLY 8 2.533 -6.496 0.190 47 HA PRO 9 HA PRO 9 5.890 -3.776 0.734 48 1HB PRO 9 1HB PRO 9 7.205 -4.256 -1.613 49 2HB PRO 9 2HB PRO 9 7.353 -5.286 -0.203 50 1HG PRO 9 2HG PRO 9 6.357 -6.924 -1.485 51 2HG PRO 9 1HG PRO 9 5.849 -5.769 -2.702 52 1HD PRO 9 1HD PRO 9 3.715 -5.870 -1.853 53 2HD PRO 9 2HD PRO 9 4.249 -6.935 -0.568 54 H LYS 10 H LYS 10 3.290 -3.199 -1.039 55 HA LYS 10 HA LYS 10 4.457 -0.713 -2.086 56 1HB LYS 10 1HB LYS 10 3.679 -2.322 -3.827 57 2HB LYS 10 2HB LYS 10 2.062 -2.230 -3.159 58 1HG LYS 10 1HG LYS 10 2.825 0.470 -3.462 59 2HG LYS 10 2HG LYS 10 3.474 -0.314 -4.888 60 1HD LYS 10 1HD LYS 10 0.846 -1.389 -4.497 61 2HD LYS 10 2HD LYS 10 0.711 0.344 -4.274 62 1HE LYS 10 2HE LYS 10 2.021 0.625 -6.467 63 2HE LYS 10 1HE LYS 10 0.399 -0.019 -6.625 64 1HZ LYS 10 1HZ LYS 10 1.687 -2.254 -6.365 65 2HZ LYS 10 2HZ LYS 10 1.558 -1.520 -7.817 66 3HZ LYS 10 3HZ LYS 10 2.934 -1.375 -6.949 67 H TYR 11 H TYR 11 2.803 -1.970 0.476 68 HA TYR 11 HA TYR 11 0.557 -0.263 0.624 69 1HB TYR 11 1HB TYR 11 0.902 -2.408 1.895 70 2HB TYR 11 2HB TYR 11 2.337 -1.747 2.656 71 HD1 TYR 11 HD1 TYR 11 1.920 0.512 4.027 72 HD2 TYR 11 HD2 TYR 11 -1.096 -2.373 3.084 73 HE1 TYR 11 HE1 TYR 11 0.499 1.355 5.960 74 HE2 TYR 11 HE2 TYR 11 -2.506 -1.520 5.020 75 HH TYR 11 HH TYR 11 -1.478 1.294 6.895 76 H SER 12 H SER 12 0.474 1.890 1.007 77 HA SER 12 HA SER 12 2.500 2.990 2.751 78 1HB SER 12 1HB SER 12 2.361 3.454 -0.125 79 2HB SER 12 2HB SER 12 2.097 4.957 0.735 80 HG SER 12 HG SER 12 4.099 4.064 2.058 81 H CYS 13 H CYS 13 0.324 2.690 4.006 82 HA CYS 13 HA CYS 13 -1.012 5.249 3.914 83 1HB CYS 13 1HB CYS 13 -2.376 3.869 2.423 84 2HB CYS 13 2HB CYS 13 -2.544 2.652 3.672 No H/Q in entry = 84 Start of MODEL 33 1 H1 ILE 1 H1 ILE 1 0.527 6.396 -3.622 2 H2 ILE 1 H2 ILE 1 1.686 7.339 -2.908 3 H3 ILE 1 H3 ILE 1 2.103 5.893 -3.600 4 HA ILE 1 HA ILE 1 2.022 5.101 -1.580 5 HB ILE 1 HB ILE 1 0.559 6.270 0.172 6 1HG1 ILE 1 1HG1 ILE 1 0.551 8.688 -1.563 7 2HG1 ILE 1 2HG1 ILE 1 -0.629 7.428 -1.998 8 1HG2 ILE 1 1HG2 ILE 1 2.830 7.640 -1.309 9 2HG2 ILE 1 2HG2 ILE 1 2.143 8.304 0.192 10 3HG2 ILE 1 3HG2 ILE 1 2.907 6.696 0.198 11 1HD1 ILE 1 1HD1 ILE 1 -0.276 8.569 0.806 12 2HD1 ILE 1 2HD1 ILE 1 -1.524 9.099 -0.348 13 3HD1 ILE 1 3HD1 ILE 1 -1.533 7.429 0.269 14 H CYS 2 H CYS 2 0.914 3.277 -0.980 15 HA CYS 2 HA CYS 2 -1.726 3.001 -2.192 16 1HB CYS 2 1HB CYS 2 0.167 1.397 -2.744 17 2HB CYS 2 2HB CYS 2 0.021 0.792 -1.106 18 H CYS 3 H CYS 3 -3.258 1.526 -0.797 19 HA CYS 3 HA CYS 3 -2.780 1.762 2.036 20 1HB CYS 3 1HB CYS 3 -3.874 3.929 1.200 21 2HB CYS 3 2HB CYS 3 -5.312 2.964 0.931 22 H ASN 4 H ASN 4 -2.644 -0.622 1.237 23 HA ASN 4 HA ASN 4 -5.119 -1.825 1.863 24 1HB ASN 4 1HB ASN 4 -4.583 -1.369 -0.915 25 2HB ASN 4 2HB ASN 4 -4.283 -3.074 -0.649 26 2HD2 ASN 4 1HD2 ASN 4 -6.021 -3.923 -1.615 27 1HD2 ASN 4 2HD2 ASN 4 -7.665 -3.686 -1.125 28 HA PRO 5 HA PRO 5 -2.226 -4.955 2.898 29 1HB PRO 5 1HB PRO 5 -3.715 -7.245 2.857 30 2HB PRO 5 2HB PRO 5 -3.753 -6.102 4.184 31 1HG PRO 5 1HG PRO 5 -5.766 -6.551 2.068 32 2HG PRO 5 2HG PRO 5 -5.958 -5.743 3.611 33 1HD PRO 5 1HD PRO 5 -5.712 -4.496 1.040 34 2HD PRO 5 2HD PRO 5 -5.786 -3.689 2.593 35 H ALA 6 H ALA 6 -4.037 -5.574 -0.016 36 HA ALA 6 HA ALA 6 -2.319 -7.578 -0.978 37 1HB ALA 6 1HB ALA 6 -4.712 -6.912 -1.701 38 2HB ALA 6 3HB ALA 6 -3.562 -7.370 -2.981 39 3HB ALA 6 2HB ALA 6 -3.924 -5.652 -2.681 40 H CYS 7 H CYS 7 -1.868 -4.207 -0.456 41 HA CYS 7 HA CYS 7 -0.169 -3.711 -2.666 42 1HB CYS 7 1HB CYS 7 -0.330 -2.223 -0.038 43 2HB CYS 7 2HB CYS 7 0.389 -1.644 -1.527 44 H GLY 8 H GLY 8 0.142 -4.976 0.662 45 1HA GLY 8 1HA GLY 8 1.898 -5.759 1.836 46 2HA GLY 8 2HA GLY 8 2.439 -6.401 0.298 47 HA PRO 9 HA PRO 9 5.831 -3.706 0.745 48 1HB PRO 9 1HB PRO 9 7.088 -4.222 -1.626 49 2HB PRO 9 2HB PRO 9 7.261 -5.238 -0.209 50 1HG PRO 9 1HG PRO 9 5.696 -5.734 -2.667 51 2HG PRO 9 2HG PRO 9 6.224 -6.881 -1.451 52 1HD PRO 9 1HD PRO 9 3.582 -5.811 -1.769 53 2HD PRO 9 2HD PRO 9 4.137 -6.866 -0.485 54 H LYS 10 H LYS 10 3.191 -3.113 -0.944 55 HA LYS 10 HA LYS 10 4.359 -0.674 -2.094 56 1HB LYS 10 1HB LYS 10 3.375 -2.382 -3.696 57 2HB LYS 10 2HB LYS 10 1.809 -2.041 -2.987 58 1HG LYS 10 1HG LYS 10 2.632 0.517 -3.460 59 2HG LYS 10 2HG LYS 10 3.531 -0.300 -4.723 60 1HD LYS 10 1HD LYS 10 1.000 -1.479 -4.913 61 2HD LYS 10 2HD LYS 10 0.621 0.182 -4.503 62 1HE LYS 10 1HE LYS 10 2.660 -0.395 -6.673 63 2HE LYS 10 2HE LYS 10 0.951 -0.505 -7.041 64 1HZ LYS 10 1HZ LYS 10 2.269 1.853 -5.884 65 2HZ LYS 10 2HZ LYS 10 1.822 1.692 -7.446 66 3HZ LYS 10 3HZ LYS 10 0.687 1.747 -6.273 67 H TYR 11 H TYR 11 2.618 -1.942 0.495 68 HA TYR 11 HA TYR 11 0.542 -0.059 0.740 69 1HB TYR 11 1HB TYR 11 0.852 -2.306 1.925 70 2HB TYR 11 2HB TYR 11 2.226 -1.639 2.784 71 HD1 TYR 11 HD1 TYR 11 -0.740 0.445 2.185 72 HD2 TYR 11 HD2 TYR 11 1.218 -2.162 4.955 73 HE1 TYR 11 HE1 TYR 11 -2.284 1.244 4.042 74 HE2 TYR 11 HE2 TYR 11 -0.332 -1.356 6.801 75 HH TYR 11 HH TYR 11 -1.761 0.261 7.369 76 H SER 12 H SER 12 0.701 2.100 1.055 77 HA SER 12 HA SER 12 2.744 2.998 2.892 78 1HB SER 12 1HB SER 12 2.836 3.420 0.023 79 2HB SER 12 2HB SER 12 2.614 4.966 0.819 80 HG SER 12 HG SER 12 4.907 3.969 0.490 81 H CYS 13 H CYS 13 0.411 2.877 3.961 82 HA CYS 13 HA CYS 13 -0.593 5.584 3.881 83 1HB CYS 13 1HB CYS 13 -2.084 4.735 2.296 84 2HB CYS 13 2HB CYS 13 -2.238 3.191 3.111 No H/Q in entry = 84 Start of MODEL 34 1 H1 ILE 1 H1 ILE 1 -0.024 6.835 -3.117 2 H2 ILE 1 H2 ILE 1 1.214 7.553 -2.283 3 H3 ILE 1 H3 ILE 1 1.528 6.294 -3.312 4 HA ILE 1 HA ILE 1 1.634 5.299 -1.300 5 HB ILE 1 HB ILE 1 -0.444 5.778 0.277 6 1HG1 ILE 1 1HG1 ILE 1 -0.215 8.479 -1.053 7 2HG1 ILE 1 2HG1 ILE 1 -1.356 7.274 -1.695 8 1HG2 ILE 1 1HG2 ILE 1 2.204 6.915 -0.080 9 2HG2 ILE 1 2HG2 ILE 1 1.102 8.133 0.604 10 3HG2 ILE 1 3HG2 ILE 1 1.325 6.572 1.429 11 1HD1 ILE 1 1HD1 ILE 1 -2.336 7.039 0.596 12 2HD1 ILE 1 2HD1 ILE 1 -1.250 8.331 1.162 13 3HD1 ILE 1 3HD1 ILE 1 -2.499 8.688 -0.053 14 H CYS 2 H CYS 2 0.061 3.590 -0.251 15 HA CYS 2 HA CYS 2 -2.072 2.879 -2.069 16 1HB CYS 2 1HB CYS 2 0.075 1.862 -2.949 17 2HB CYS 2 2HB CYS 2 0.127 0.890 -1.492 18 H CYS 3 H CYS 3 -3.551 3.144 -0.344 19 HA CYS 3 HA CYS 3 -2.942 1.972 2.202 20 1HB CYS 3 1HB CYS 3 -4.857 3.886 1.134 21 2HB CYS 3 2HB CYS 3 -5.626 2.726 2.199 22 H ASN 4 H ASN 4 -2.661 -0.209 0.918 23 HA ASN 4 HA ASN 4 -5.120 -1.630 1.290 24 1HB ASN 4 1HB ASN 4 -3.850 -1.163 -1.398 25 2HB ASN 4 2HB ASN 4 -4.393 -2.799 -1.082 26 2HD2 ASN 4 1HD2 ASN 4 -6.593 -2.534 0.416 27 1HD2 ASN 4 2HD2 ASN 4 -7.854 -1.688 -0.418 28 HA PRO 5 HA PRO 5 -2.059 -4.537 2.495 29 1HB PRO 5 1HB PRO 5 -3.562 -6.809 2.708 30 2HB PRO 5 2HB PRO 5 -3.505 -5.577 3.953 31 1HG PRO 5 1HG PRO 5 -5.656 -6.148 2.007 32 2HG PRO 5 2HG PRO 5 -5.740 -5.235 3.501 33 1HD PRO 5 1HD PRO 5 -5.655 -4.168 0.840 34 2HD PRO 5 2HD PRO 5 -5.623 -3.256 2.335 35 H ALA 6 H ALA 6 -3.941 -5.096 -0.339 36 HA ALA 6 HA ALA 6 -2.472 -7.303 -1.272 37 1HB ALA 6 3HB ALA 6 -4.652 -6.820 -2.164 38 2HB ALA 6 2HB ALA 6 -3.484 -6.581 -3.486 39 3HB ALA 6 1HB ALA 6 -4.164 -5.174 -2.633 40 H CYS 7 H CYS 7 -1.585 -4.038 -0.746 41 HA CYS 7 HA CYS 7 0.187 -3.832 -2.977 42 1HB CYS 7 2HB CYS 7 0.916 -1.754 -1.944 43 2HB CYS 7 1HB CYS 7 0.051 -2.143 -0.472 44 H GLY 8 H GLY 8 0.186 -5.076 0.332 45 1HA GLY 8 1HA GLY 8 1.785 -5.979 1.636 46 2HA GLY 8 2HA GLY 8 2.432 -6.613 0.136 47 HA PRO 9 HA PRO 9 5.901 -4.107 0.935 48 1HB PRO 9 1HB PRO 9 7.303 -4.572 -1.364 49 2HB PRO 9 2HB PRO 9 7.322 -5.663 0.007 50 1HG PRO 9 1HG PRO 9 5.920 -5.961 -2.578 51 2HG PRO 9 2HG PRO 9 6.301 -7.189 -1.389 52 1HD PRO 9 1HD PRO 9 3.744 -5.970 -1.838 53 2HD PRO 9 2HD PRO 9 4.152 -7.113 -0.574 54 H LYS 10 H LYS 10 3.436 -3.327 -0.967 55 HA LYS 10 HA LYS 10 4.779 -0.844 -1.787 56 1HB LYS 10 1HB LYS 10 4.127 -2.351 -3.678 57 2HB LYS 10 2HB LYS 10 2.454 -2.205 -3.178 58 1HG LYS 10 1HG LYS 10 3.320 0.461 -3.260 59 2HG LYS 10 2HG LYS 10 4.156 -0.265 -4.617 60 1HD LYS 10 1HD LYS 10 1.218 -0.874 -4.240 61 2HD LYS 10 2HD LYS 10 1.672 0.694 -4.880 62 1HE LYS 10 1HE LYS 10 3.158 -0.623 -6.574 63 2HE LYS 10 2HE LYS 10 2.270 -2.046 -6.065 64 1HZ LYS 10 1HZ LYS 10 0.259 -0.484 -6.527 65 2HZ LYS 10 2HZ LYS 10 1.316 0.268 -7.519 66 3HZ LYS 10 3HZ LYS 10 0.972 -1.313 -7.740 67 H TYR 11 H TYR 11 2.845 -2.176 0.526 68 HA TYR 11 HA TYR 11 0.588 -0.539 0.574 69 1HB TYR 11 1HB TYR 11 0.949 -2.598 1.942 70 2HB TYR 11 2HB TYR 11 2.365 -1.892 2.694 71 HD1 TYR 11 HD1 TYR 11 2.006 0.225 4.155 72 HD2 TYR 11 HD2 TYR 11 -1.161 -2.390 2.956 73 HE1 TYR 11 HE1 TYR 11 0.555 1.100 6.051 74 HE2 TYR 11 HE2 TYR 11 -2.601 -1.506 4.857 75 HH TYR 11 HH TYR 11 -1.515 -0.053 7.412 76 H SER 12 H SER 12 0.393 1.624 0.830 77 HA SER 12 HA SER 12 2.233 2.898 2.658 78 1HB SER 12 1HB SER 12 2.268 3.243 -0.247 79 2HB SER 12 2HB SER 12 1.925 4.766 0.551 80 HG SER 12 HG SER 12 4.062 3.116 1.526 81 H CYS 13 H CYS 13 0.920 3.898 4.137 82 HA CYS 13 HA CYS 13 -1.629 4.933 3.129 83 1HB CYS 13 1HB CYS 13 -0.859 3.544 5.637 84 2HB CYS 13 2HB CYS 13 -2.005 4.859 5.797 No H/Q in entry = 84 Start of MODEL 35 1 H1 ILE 1 H1 ILE 1 0.975 5.998 -3.308 2 H2 ILE 1 H2 ILE 1 0.788 7.347 -2.368 3 H3 ILE 1 H3 ILE 1 2.258 6.590 -2.445 4 HA ILE 1 HA ILE 1 1.770 5.101 -0.952 5 HB ILE 1 HB ILE 1 -0.013 5.854 0.620 6 1HG1 ILE 1 1HG1 ILE 1 -0.523 8.228 -1.150 7 2HG1 ILE 1 2HG1 ILE 1 -1.378 6.709 -1.514 8 1HG2 ILE 1 1HG2 ILE 1 1.934 7.854 -0.568 9 2HG2 ILE 1 2HG2 ILE 1 0.927 8.262 0.843 10 3HG2 ILE 1 3HG2 ILE 1 2.086 6.914 0.936 11 1HD1 ILE 1 1HD1 ILE 1 -1.295 7.838 1.299 12 2HD1 ILE 1 2HD1 ILE 1 -2.516 8.376 0.122 13 3HD1 ILE 1 3HD1 ILE 1 -2.439 6.664 0.604 14 H CYS 2 H CYS 2 0.344 3.352 -0.183 15 HA CYS 2 HA CYS 2 -1.902 2.848 -1.966 16 1HB CYS 2 1HB CYS 2 0.195 1.713 -2.821 17 2HB CYS 2 2HB CYS 2 0.169 0.730 -1.370 18 H CYS 3 H CYS 3 -3.433 3.120 -0.308 19 HA CYS 3 HA CYS 3 -2.923 1.963 2.268 20 1HB CYS 3 1HB CYS 3 -4.917 3.795 1.080 21 2HB CYS 3 2HB CYS 3 -5.522 2.756 2.355 22 H ASN 4 H ASN 4 -2.649 -0.235 1.007 23 HA ASN 4 HA ASN 4 -5.158 -1.595 1.306 24 1HB ASN 4 1HB ASN 4 -4.171 -0.885 -1.296 25 2HB ASN 4 2HB ASN 4 -3.876 -2.603 -1.118 26 2HD2 ASN 4 1HD2 ASN 4 -5.553 -2.058 -2.999 27 1HD2 ASN 4 2HD2 ASN 4 -7.209 -2.345 -2.583 28 HA PRO 5 HA PRO 5 -2.249 -4.576 2.688 29 1HB PRO 5 1HB PRO 5 -3.794 -6.829 2.767 30 2HB PRO 5 2HB PRO 5 -3.816 -5.608 4.024 31 1HG PRO 5 2HG PRO 5 -6.006 -5.232 3.406 32 2HG PRO 5 1HG PRO 5 -5.821 -6.134 1.916 33 1HD PRO 5 1HD PRO 5 -5.705 -4.146 0.769 34 2HD PRO 5 2HD PRO 5 -5.774 -3.246 2.270 35 H ALA 6 H ALA 6 -3.980 -5.193 -0.250 36 HA ALA 6 HA ALA 6 -2.346 -7.345 -1.069 37 1HB ALA 6 1HB ALA 6 -4.602 -5.813 -2.026 38 2HB ALA 6 2HB ALA 6 -3.401 -5.984 -3.329 39 3HB ALA 6 3HB ALA 6 -4.054 -7.431 -2.523 40 H CYS 7 H CYS 7 -1.684 -4.039 -0.581 41 HA CYS 7 HA CYS 7 0.017 -3.629 -2.806 42 1HB CYS 7 1HB CYS 7 -0.014 -2.164 -0.161 43 2HB CYS 7 2HB CYS 7 0.721 -1.616 -1.655 44 H GLY 8 H GLY 8 0.254 -5.051 0.445 45 1HA GLY 8 1HA GLY 8 1.957 -5.986 1.585 46 2HA GLY 8 2HA GLY 8 2.495 -6.550 0.015 47 HA PRO 9 HA PRO 9 5.988 -4.033 0.665 48 1HB PRO 9 1HB PRO 9 7.235 -4.411 -1.737 49 2HB PRO 9 2HB PRO 9 7.359 -5.542 -0.404 50 1HG PRO 9 2HG PRO 9 6.261 -7.037 -1.774 51 2HG PRO 9 1HG PRO 9 5.788 -5.778 -2.897 52 1HD PRO 9 1HD PRO 9 3.667 -5.838 -2.011 53 2HD PRO 9 2HD PRO 9 4.173 -7.012 -0.814 54 H LYS 10 H LYS 10 3.388 -3.215 -1.016 55 HA LYS 10 HA LYS 10 4.648 -0.697 -1.858 56 1HB LYS 10 1HB LYS 10 3.841 -2.208 -3.722 57 2HB LYS 10 2HB LYS 10 2.211 -1.979 -3.120 58 1HG LYS 10 1HG LYS 10 3.245 0.638 -3.241 59 2HG LYS 10 2HG LYS 10 3.906 -0.132 -4.670 60 1HD LYS 10 1HD LYS 10 0.975 -0.528 -4.031 61 2HD LYS 10 2HD LYS 10 1.486 1.000 -4.719 62 1HE LYS 10 1HE LYS 10 1.900 0.083 -6.782 63 2HE LYS 10 2HE LYS 10 2.647 -1.351 -6.107 64 1HZ LYS 10 1HZ LYS 10 0.156 -1.760 -5.401 65 2HZ LYS 10 2HZ LYS 10 -0.119 -0.877 -6.748 66 3HZ LYS 10 3HZ LYS 10 0.751 -2.255 -6.839 67 H TYR 11 H TYR 11 2.835 -2.157 0.506 68 HA TYR 11 HA TYR 11 0.601 -0.519 0.769 69 1HB TYR 11 1HB TYR 11 1.128 -2.664 2.002 70 2HB TYR 11 2HB TYR 11 2.494 -1.890 2.780 71 HD1 TYR 11 HD1 TYR 11 -0.967 -0.556 2.278 72 HD2 TYR 11 HD2 TYR 11 1.969 -1.944 5.064 73 HE1 TYR 11 HE1 TYR 11 -2.459 0.147 4.212 74 HE2 TYR 11 HE2 TYR 11 0.467 -1.236 6.989 75 HH TYR 11 HH TYR 11 -1.900 0.856 6.750 76 H SER 12 H SER 12 0.433 1.635 1.115 77 HA SER 12 HA SER 12 2.206 2.836 3.008 78 1HB SER 12 1HB SER 12 2.602 3.157 0.122 79 2HB SER 12 2HB SER 12 2.285 4.702 0.887 80 HG SER 12 HG SER 12 4.143 2.938 2.151 81 H CYS 13 H CYS 13 0.994 4.256 4.223 82 HA CYS 13 HA CYS 13 -1.489 5.201 2.988 83 1HB CYS 13 1HB CYS 13 -0.865 4.166 5.704 84 2HB CYS 13 2HB CYS 13 -1.996 5.500 5.605 No H/Q in entry = 84 Start of MODEL 36 1 H1 ILE 1 H1 ILE 1 1.165 5.691 -3.816 2 H2 ILE 1 H2 ILE 1 1.529 7.087 -3.004 3 H3 ILE 1 H3 ILE 1 2.718 5.979 -3.320 4 HA ILE 1 HA ILE 1 2.272 4.751 -1.597 5 HB ILE 1 HB ILE 1 1.084 5.995 0.218 6 1HG1 ILE 1 1HG1 ILE 1 0.796 8.491 -1.236 7 2HG1 ILE 1 2HG1 ILE 1 -0.193 7.223 -2.001 8 1HG2 ILE 1 1HG2 ILE 1 3.040 7.581 -1.500 9 2HG2 ILE 1 2HG2 ILE 1 2.632 7.965 0.189 10 3HG2 ILE 1 3HG2 ILE 1 3.453 6.436 -0.202 11 1HD1 ILE 1 1HD1 ILE 1 -0.193 7.871 0.977 12 2HD1 ILE 1 2HD1 ILE 1 -1.417 8.433 -0.185 13 3HD1 ILE 1 3HD1 ILE 1 -1.240 6.694 0.150 14 H CYS 2 H CYS 2 1.010 3.032 -0.984 15 HA CYS 2 HA CYS 2 -1.644 2.985 -2.194 16 1HB CYS 2 1HB CYS 2 0.113 1.221 -2.733 17 2HB CYS 2 2HB CYS 2 -0.107 0.631 -1.097 18 H CYS 3 H CYS 3 -3.227 1.509 -0.761 19 HA CYS 3 HA CYS 3 -2.749 1.857 2.063 20 1HB CYS 3 1HB CYS 3 -3.839 3.985 1.141 21 2HB CYS 3 2HB CYS 3 -5.273 3.011 0.885 22 H ASN 4 H ASN 4 -2.608 -0.558 1.141 23 HA ASN 4 HA ASN 4 -5.071 -1.753 1.908 24 1HB ASN 4 1HB ASN 4 -4.613 -1.344 -0.875 25 2HB ASN 4 2HB ASN 4 -4.231 -3.032 -0.602 26 2HD2 ASN 4 1HD2 ASN 4 -5.932 -4.040 -1.435 27 1HD2 ASN 4 2HD2 ASN 4 -7.579 -3.846 -0.939 28 HA PRO 5 HA PRO 5 -2.164 -4.860 2.974 29 1HB PRO 5 1HB PRO 5 -3.638 -7.161 2.968 30 2HB PRO 5 2HB PRO 5 -3.681 -5.999 4.279 31 1HG PRO 5 2HG PRO 5 -5.889 -5.662 3.703 32 2HG PRO 5 1HG PRO 5 -5.695 -6.491 2.172 33 1HD PRO 5 1HD PRO 5 -5.655 -4.450 1.115 34 2HD PRO 5 2HD PRO 5 -5.733 -3.621 2.657 35 H ALA 6 H ALA 6 -3.998 -5.585 0.091 36 HA ALA 6 HA ALA 6 -2.227 -7.559 -0.844 37 1HB ALA 6 3HB ALA 6 -4.405 -7.515 -1.765 38 2HB ALA 6 1HB ALA 6 -4.324 -5.770 -2.102 39 3HB ALA 6 2HB ALA 6 -3.365 -6.909 -3.076 40 H CYS 7 H CYS 7 -1.854 -4.183 -0.385 41 HA CYS 7 HA CYS 7 -0.233 -3.668 -2.652 42 1HB CYS 7 2HB CYS 7 0.288 -1.568 -1.564 43 2HB CYS 7 1HB CYS 7 -0.367 -2.144 -0.045 44 H GLY 8 H GLY 8 0.192 -4.906 0.666 45 1HA GLY 8 1HA GLY 8 1.996 -5.632 1.805 46 2HA GLY 8 2HA GLY 8 2.536 -6.243 0.253 47 HA PRO 9 HA PRO 9 5.828 -3.420 0.674 48 1HB PRO 9 1HB PRO 9 7.081 -3.886 -1.710 49 2HB PRO 9 2HB PRO 9 7.307 -4.895 -0.295 50 1HG PRO 9 1HG PRO 9 5.738 -5.454 -2.736 51 2HG PRO 9 2HG PRO 9 6.321 -6.578 -1.526 52 1HD PRO 9 1HD PRO 9 3.636 -5.612 -1.817 53 2HD PRO 9 2HD PRO 9 4.247 -6.645 -0.539 54 H LYS 10 H LYS 10 3.149 -2.929 -0.984 55 HA LYS 10 HA LYS 10 4.211 -0.459 -2.168 56 1HB LYS 10 1HB LYS 10 3.216 -2.227 -3.715 57 2HB LYS 10 2HB LYS 10 1.664 -1.879 -2.978 58 1HG LYS 10 1HG LYS 10 2.437 0.670 -3.518 59 2HG LYS 10 2HG LYS 10 3.351 -0.151 -4.768 60 1HD LYS 10 1HD LYS 10 0.765 -1.341 -4.821 61 2HD LYS 10 2HD LYS 10 0.480 0.378 -4.634 62 1HE LYS 10 1HE LYS 10 2.543 -0.465 -6.662 63 2HE LYS 10 2HE LYS 10 0.861 -0.761 -7.057 64 1HZ LYS 10 1HZ LYS 10 0.636 1.686 -6.252 65 2HZ LYS 10 2HZ LYS 10 2.216 1.767 -6.655 66 3HZ LYS 10 3HZ LYS 10 1.107 1.350 -7.779 67 H TYR 11 H TYR 11 2.562 -1.767 0.469 68 HA TYR 11 HA TYR 11 0.489 0.147 0.743 69 1HB TYR 11 1HB TYR 11 0.741 -2.174 1.823 70 2HB TYR 11 2HB TYR 11 2.084 -1.553 2.762 71 HD1 TYR 11 HD1 TYR 11 -1.089 0.261 2.040 72 HD2 TYR 11 HD2 TYR 11 1.232 -1.839 4.958 73 HE1 TYR 11 HE1 TYR 11 -2.700 0.999 3.863 74 HE2 TYR 11 HE2 TYR 11 -0.387 -1.094 6.771 75 HH TYR 11 HH TYR 11 -2.083 0.173 7.257 76 H SER 12 H SER 12 0.736 2.287 1.128 77 HA SER 12 HA SER 12 2.758 3.032 3.054 78 1HB SER 12 1HB SER 12 3.154 3.406 0.286 79 2HB SER 12 2HB SER 12 2.639 4.979 0.861 80 HG SER 12 HG SER 12 5.059 3.737 1.184 81 H CYS 13 H CYS 13 0.333 2.940 3.982 82 HA CYS 13 HA CYS 13 -0.516 5.701 4.031 83 1HB CYS 13 1HB CYS 13 -2.033 5.198 2.404 84 2HB CYS 13 2HB CYS 13 -2.136 3.505 2.845 No H/Q in entry = 84
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