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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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8304 |
1m0g ![]() ![]() |
cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 37 H SER 37 0.872 -5.753 -2.191 2 HA SER 37 HA SER 37 2.268 -6.018 -3.836 3 1HB SER 37 2HB SER 37 2.169 -3.048 -4.483 4 2HB SER 37 3HB SER 37 2.541 -4.368 -5.573 5 HG SER 37 HG SER 37 0.222 -5.113 -4.930 6 H CYS 38 H CYS 38 4.581 -5.189 -4.681 7 HA CYS 38 HA CYS 38 5.945 -3.972 -2.392 8 1HB CYS 38 2HB CYS 38 6.305 -6.419 -2.469 9 2HB CYS 38 3HB CYS 38 6.973 -6.262 -4.082 10 H CYS 39 H CYS 39 6.837 -5.171 -5.650 11 HA CYS 39 HA CYS 39 7.378 -2.393 -6.536 12 1HB CYS 39 2HB CYS 39 9.537 -3.263 -7.549 13 2HB CYS 39 3HB CYS 39 9.532 -3.160 -5.770 14 HA PRO 40 HA PRO 40 5.467 -4.006 -10.094 15 1HB PRO 40 2HB PRO 40 5.989 -2.012 -11.888 16 2HB PRO 40 3HB PRO 40 4.683 -1.934 -10.722 17 1HG PRO 40 2HG PRO 40 7.281 -0.523 -10.692 18 2HG PRO 40 3HG PRO 40 5.820 -0.152 -9.798 19 1HD PRO 40 2HD PRO 40 8.183 -1.417 -8.777 20 2HD PRO 40 3HD PRO 40 6.681 -1.151 -7.914 21 H CYS 41 H CYS 41 8.468 -4.416 -9.453 22 HA CYS 41 HA CYS 41 9.140 -5.201 -12.195 23 1HB CYS 41 2HB CYS 41 11.180 -4.393 -11.918 24 2HB CYS 41 3HB CYS 41 10.580 -3.599 -10.475 25 H CYS 42 H CYS 42 7.631 -6.406 -9.607 26 HA CYS 42 HA CYS 42 8.752 -9.042 -10.026 27 1HB CYS 42 2HB CYS 42 8.738 -7.620 -7.383 28 2HB CYS 42 3HB CYS 42 8.518 -9.358 -7.441 29 HA PRO 43 HA PRO 43 4.523 -10.022 -9.675 30 1HB PRO 43 2HB PRO 43 4.534 -12.594 -8.751 31 2HB PRO 43 3HB PRO 43 4.846 -12.175 -10.424 32 1HG PRO 43 2HG PRO 43 6.761 -13.016 -8.335 33 2HG PRO 43 3HG PRO 43 6.969 -13.007 -10.076 34 1HD PRO 43 2HD PRO 43 8.053 -11.119 -8.208 35 2HD PRO 43 3HD PRO 43 8.162 -11.045 -9.956 36 H SER 44 H SER 44 2.625 -10.623 -8.319 37 HA SER 44 HA SER 44 2.918 -9.225 -5.913 38 1HB SER 44 2HB SER 44 0.621 -11.095 -6.603 39 2HB SER 44 3HB SER 44 0.572 -9.670 -5.586 40 HG SER 44 HG SER 44 0.894 -8.336 -7.432 41 H GLY 45 H GLY 45 4.889 -10.819 -5.385 42 1HA GLY 45 1HA GLY 45 4.185 -12.310 -3.126 43 2HA GLY 45 2HA GLY 45 4.349 -13.426 -4.466 44 H CYS 46 H CYS 46 6.412 -13.646 -5.573 45 HA CYS 46 HA CYS 46 8.591 -13.982 -5.473 46 1HB CYS 46 2HB CYS 46 8.398 -11.656 -6.372 47 2HB CYS 46 3HB CYS 46 8.708 -11.045 -4.759 48 H THR 47 H THR 47 9.005 -15.390 -3.746 49 HA THR 47 HA THR 47 8.720 -14.750 -1.054 50 HB THR 47 HB THR 47 10.758 -16.730 -1.368 51 HG1 THR 47 1HG THR 47 10.429 -17.067 -3.547 52 1HG2 THR 47 1HG2 THR 47 8.973 -18.319 -0.890 53 2HG2 THR 47 2HG2 THR 47 8.612 -16.847 0.043 54 3HG2 THR 47 3HG2 THR 47 7.734 -17.178 -1.469 55 H LYS 48 H LYS 48 11.172 -13.795 -3.348 56 HA LYS 48 HA LYS 48 13.224 -13.382 -1.432 57 1HB LYS 48 2HB LYS 48 12.813 -13.023 -4.306 58 2HB LYS 48 3HB LYS 48 13.740 -11.714 -3.601 59 1HG LYS 48 2HG LYS 48 14.826 -13.986 -2.367 60 2HG LYS 48 3HG LYS 48 14.491 -14.546 -3.993 61 1HD LYS 48 2HD LYS 48 15.619 -12.196 -4.663 62 2HD LYS 48 3HD LYS 48 16.361 -12.359 -3.085 63 1HE LYS 48 2HE LYS 48 17.835 -13.373 -4.757 64 2HE LYS 48 3HE LYS 48 17.200 -14.639 -3.726 65 1HZ LYS 48 1HZ LYS 48 15.381 -14.411 -5.722 66 2HZ LYS 48 2HZ LYS 48 16.811 -14.245 -6.493 67 3HZ LYS 48 3HZ LYS 48 16.520 -15.573 -5.589 68 H CYS 49 H CYS 49 10.649 -11.426 -2.891 69 HA CYS 49 HA CYS 49 11.429 -9.057 -1.335 70 1HB CYS 49 2HB CYS 49 9.368 -9.680 -3.462 71 2HB CYS 49 3HB CYS 49 9.273 -8.181 -2.504 72 H ALA 50 H ALA 50 9.674 -11.934 -0.758 73 HA ALA 50 HA ALA 50 7.424 -10.941 0.563 74 1HB ALA 50 1HB ALA 50 9.001 -13.489 0.493 75 2HB ALA 50 2HB ALA 50 7.841 -13.267 1.826 76 3HB ALA 50 3HB ALA 50 7.280 -13.202 0.136 77 H SER 51 H SER 51 10.846 -11.230 1.481 78 HA SER 51 HA SER 51 10.217 -10.711 4.232 79 1HB SER 51 2HB SER 51 12.316 -11.992 2.915 80 2HB SER 51 3HB SER 51 13.046 -10.473 3.397 81 HG SER 51 HG SER 51 11.554 -12.153 5.222 82 H GLY 52 H GLY 52 10.237 -8.866 1.474 83 1HA GLY 52 1HA GLY 52 9.924 -6.426 2.426 84 2HA GLY 52 2HA GLY 52 11.665 -6.565 2.570 85 H CYS 53 H CYS 53 12.997 -6.541 0.709 86 HA CYS 53 HA CYS 53 12.006 -6.908 -1.873 87 1HB CYS 53 2HB CYS 53 10.819 -4.802 -1.452 88 2HB CYS 53 3HB CYS 53 12.335 -4.008 -1.077 89 H VAL 54 H VAL 54 13.872 -7.861 -2.622 90 HA VAL 54 HA VAL 54 16.416 -6.935 -1.603 91 HB VAL 54 HB VAL 54 17.261 -8.934 -2.322 92 1HG1 VAL 54 1HG1 VAL 54 14.390 -9.848 -2.214 93 2HG1 VAL 54 2HG1 VAL 54 15.847 -10.618 -1.541 94 3HG1 VAL 54 3HG1 VAL 54 15.181 -9.154 -0.779 95 1HG2 VAL 54 1HG2 VAL 54 15.125 -8.957 -4.476 96 2HG2 VAL 54 2HG2 VAL 54 16.880 -8.741 -4.681 97 3HG2 VAL 54 3HG2 VAL 54 16.231 -10.315 -4.160 98 H CYS 55 H CYS 55 14.311 -5.911 -3.881 99 HA CYS 55 HA CYS 55 16.105 -5.486 -6.125 100 1HB CYS 55 2HB CYS 55 13.496 -4.044 -5.556 101 2HB CYS 55 3HB CYS 55 14.248 -4.395 -7.133 102 H LYS 56 H LYS 56 15.771 -4.047 -3.008 103 HA LYS 56 HA LYS 56 16.118 -1.355 -3.660 104 1HB LYS 56 2HB LYS 56 15.780 -2.851 -1.358 105 2HB LYS 56 3HB LYS 56 17.415 -2.247 -1.181 106 1HG LYS 56 2HG LYS 56 16.492 -0.296 -0.470 107 2HG LYS 56 3HG LYS 56 16.040 -0.007 -2.138 108 1HD LYS 56 2HD LYS 56 13.871 -0.041 -1.474 109 2HD LYS 56 3HD LYS 56 14.045 -1.764 -1.200 110 1HE LYS 56 2HE LYS 56 14.883 -1.259 1.140 111 2HE LYS 56 3HE LYS 56 14.567 0.441 0.852 112 1HZ LYS 56 1HZ LYS 56 12.759 -0.815 1.957 113 2HZ LYS 56 2HZ LYS 56 12.288 0.001 0.623 114 3HZ LYS 56 3HZ LYS 56 12.498 -1.618 0.559 115 H GLY 57 H GLY 57 18.293 -4.129 -3.725 116 1HA GLY 57 1HA GLY 57 20.725 -2.631 -3.633 117 2HA GLY 57 2HA GLY 57 20.516 -4.307 -4.100 118 H LYS 58 H LYS 58 19.977 -4.855 -6.321 119 HA LYS 58 HA LYS 58 20.649 -2.667 -8.157 120 1HB LYS 58 2HB LYS 58 21.474 -4.377 -9.670 121 2HB LYS 58 3HB LYS 58 22.264 -4.512 -8.113 122 1HG LYS 58 2HG LYS 58 20.052 -6.165 -7.774 123 2HG LYS 58 3HG LYS 58 20.427 -6.410 -9.468 124 1HD LYS 58 2HD LYS 58 22.447 -6.663 -7.189 125 2HD LYS 58 3HD LYS 58 21.636 -8.015 -7.955 126 1HE LYS 58 2HE LYS 58 22.795 -7.735 -9.998 127 2HE LYS 58 3HE LYS 58 23.148 -6.047 -9.690 128 1HZ LYS 58 1HZ LYS 58 24.327 -8.315 -8.238 129 2HZ LYS 58 2HZ LYS 58 25.079 -7.417 -9.377 130 3HZ LYS 58 3HZ LYS 58 24.656 -6.740 -7.951 131 H THR 59 H THR 59 19.696 -3.501 -10.535 132 HA THR 59 HA THR 59 17.041 -2.845 -10.495 133 HB THR 59 HB THR 59 18.915 -4.263 -12.399 134 HG1 THR 59 1HG THR 59 18.694 -1.879 -12.031 135 1HG2 THR 59 1HG2 THR 59 15.977 -4.505 -12.449 136 2HG2 THR 59 2HG2 THR 59 16.592 -3.616 -13.863 137 3HG2 THR 59 3HG2 THR 59 17.182 -5.260 -13.520 138 H CYS 60 H CYS 60 17.591 -6.080 -11.818 139 HA CYS 60 HA CYS 60 16.575 -7.556 -9.714 140 1HB CYS 60 2HB CYS 60 14.547 -6.091 -10.223 141 2HB CYS 60 3HB CYS 60 14.401 -6.980 -11.726 142 H ASP 61 H ASP 61 18.389 -8.759 -10.671 143 HA ASP 61 HA ASP 61 17.570 -10.111 -13.121 144 1HB ASP 61 2HB ASP 61 19.970 -10.312 -13.709 145 2HB ASP 61 3HB ASP 61 19.494 -8.631 -13.563 146 H THR 62 H THR 62 19.662 -12.074 -13.112 147 HA THR 62 HA THR 62 18.692 -13.945 -11.290 148 HB THR 62 HB THR 62 20.762 -13.688 -13.374 149 HG1 THR 62 1HG THR 62 18.743 -14.944 -13.420 150 1HG2 THR 62 1HG2 THR 62 22.280 -14.311 -11.456 151 2HG2 THR 62 2HG2 THR 62 21.200 -15.676 -11.083 152 3HG2 THR 62 3HG2 THR 62 22.092 -15.643 -12.623 153 H SER 63 H SER 63 20.728 -11.237 -10.740 154 HA SER 63 HA SER 63 21.817 -12.534 -8.375 155 1HB SER 63 2HB SER 63 23.285 -11.262 -10.120 156 2HB SER 63 3HB SER 63 22.614 -9.798 -9.429 157 HG SER 63 HG SER 63 24.494 -11.597 -8.357 158 H CYS 64 H CYS 64 18.979 -11.446 -8.885 159 HA CYS 64 HA CYS 64 18.956 -9.685 -6.550 160 1HB CYS 64 2HB CYS 64 18.650 -8.429 -8.724 161 2HB CYS 64 3HB CYS 64 17.149 -9.307 -8.942 162 H CYS 65 H CYS 65 16.448 -10.935 -8.765 163 HA CYS 65 HA CYS 65 15.415 -12.664 -6.566 164 1HB CYS 65 2HB CYS 65 13.832 -11.034 -8.597 165 2HB CYS 65 3HB CYS 65 13.143 -12.127 -7.370 166 H GLN 66 H GLN 66 16.246 -12.247 -10.003 167 HA GLN 66 HA GLN 66 14.872 -14.580 -10.807 168 1HB GLN 66 2HB GLN 66 17.208 -13.283 -12.256 169 2HB GLN 66 3HB GLN 66 15.900 -14.216 -12.953 170 1HG GLN 66 2HG GLN 66 15.682 -11.460 -11.660 171 2HG GLN 66 3HG GLN 66 15.489 -11.835 -13.360 172 1HE2 GLN 66 1HE2 GLN 66 13.783 -10.836 -10.951 173 2HE2 GLN 66 2HE2 GLN 66 12.277 -11.674 -11.130 Start of MODEL 2 1 H SER 37 H SER 37 1.811 -3.526 -3.982 2 HA SER 37 HA SER 37 3.140 -6.009 -4.071 3 1HB SER 37 2HB SER 37 2.099 -5.851 -6.398 4 2HB SER 37 3HB SER 37 3.092 -4.435 -6.681 5 HG SER 37 HG SER 37 4.874 -5.658 -6.877 6 H CYS 38 H CYS 38 5.182 -5.621 -3.263 7 HA CYS 38 HA CYS 38 5.982 -3.190 -2.394 8 1HB CYS 38 2HB CYS 38 8.346 -4.198 -2.511 9 2HB CYS 38 3HB CYS 38 7.140 -4.960 -1.493 10 H CYS 39 H CYS 39 7.017 -4.892 -5.380 11 HA CYS 39 HA CYS 39 7.490 -2.252 -6.667 12 1HB CYS 39 2HB CYS 39 9.513 -3.212 -7.736 13 2HB CYS 39 3HB CYS 39 9.667 -3.167 -5.962 14 HA PRO 40 HA PRO 40 5.081 -4.176 -9.741 15 1HB PRO 40 2HB PRO 40 5.315 -2.332 -11.743 16 2HB PRO 40 3HB PRO 40 4.179 -2.170 -10.420 17 1HG PRO 40 2HG PRO 40 6.729 -0.741 -10.860 18 2HG PRO 40 3HG PRO 40 5.397 -0.310 -9.805 19 1HD PRO 40 2HD PRO 40 7.902 -1.468 -9.022 20 2HD PRO 40 3HD PRO 40 6.527 -1.144 -7.985 21 H CYS 41 H CYS 41 8.293 -4.159 -9.644 22 HA CYS 41 HA CYS 41 8.636 -5.131 -12.350 23 1HB CYS 41 2HB CYS 41 10.718 -4.417 -12.158 24 2HB CYS 41 3HB CYS 41 10.259 -3.699 -10.628 25 H CYS 42 H CYS 42 7.488 -6.294 -9.430 26 HA CYS 42 HA CYS 42 8.363 -8.995 -10.117 27 1HB CYS 42 2HB CYS 42 8.535 -7.643 -7.444 28 2HB CYS 42 3HB CYS 42 8.238 -9.369 -7.528 29 HA PRO 43 HA PRO 43 4.122 -9.833 -9.590 30 1HB PRO 43 2HB PRO 43 4.086 -12.436 -8.757 31 2HB PRO 43 3HB PRO 43 4.329 -11.968 -10.429 32 1HG PRO 43 2HG PRO 43 6.315 -12.951 -8.472 33 2HG PRO 43 3HG PRO 43 6.435 -12.886 -10.218 34 1HD PRO 43 2HD PRO 43 7.678 -11.105 -8.345 35 2HD PRO 43 3HD PRO 43 7.703 -10.972 -10.092 36 H SER 44 H SER 44 2.272 -10.389 -8.165 37 HA SER 44 HA SER 44 2.744 -9.105 -5.725 38 1HB SER 44 2HB SER 44 0.334 -10.843 -6.372 39 2HB SER 44 3HB SER 44 0.399 -9.461 -5.298 40 HG SER 44 HG SER 44 0.836 -8.106 -7.183 41 H GLY 45 H GLY 45 4.661 -10.801 -5.350 42 1HA GLY 45 1HA GLY 45 3.953 -12.381 -3.135 43 2HA GLY 45 2HA GLY 45 4.097 -13.421 -4.539 44 H CYS 46 H CYS 46 6.152 -13.530 -5.718 45 HA CYS 46 HA CYS 46 8.326 -13.956 -5.590 46 1HB CYS 46 2HB CYS 46 8.102 -11.599 -6.463 47 2HB CYS 46 3HB CYS 46 8.525 -11.031 -4.860 48 H THR 47 H THR 47 8.520 -15.387 -3.792 49 HA THR 47 HA THR 47 8.415 -14.591 -1.121 50 HB THR 47 HB THR 47 9.014 -16.958 -2.739 51 HG1 THR 47 1HG THR 47 8.237 -16.254 0.000 52 1HG2 THR 47 1HG2 THR 47 10.313 -18.085 -0.842 53 2HG2 THR 47 2HG2 THR 47 11.274 -16.933 -1.802 54 3HG2 THR 47 3HG2 THR 47 10.653 -16.459 -0.203 55 H LYS 48 H LYS 48 10.774 -13.891 -3.524 56 HA LYS 48 HA LYS 48 13.002 -13.791 -1.741 57 1HB LYS 48 2HB LYS 48 12.460 -13.318 -4.598 58 2HB LYS 48 3HB LYS 48 13.667 -12.245 -3.919 59 1HG LYS 48 2HG LYS 48 14.412 -14.675 -2.808 60 2HG LYS 48 3HG LYS 48 13.786 -15.184 -4.363 61 1HD LYS 48 2HD LYS 48 15.362 -12.859 -4.881 62 2HD LYS 48 3HD LYS 48 16.294 -13.829 -3.757 63 1HE LYS 48 2HE LYS 48 16.015 -15.824 -5.248 64 2HE LYS 48 3HE LYS 48 15.084 -14.854 -6.372 65 1HZ LYS 48 1HZ LYS 48 17.679 -13.834 -5.616 66 2HZ LYS 48 2HZ LYS 48 17.660 -15.146 -6.588 67 3HZ LYS 48 3HZ LYS 48 16.915 -13.771 -7.058 68 H CYS 49 H CYS 49 10.663 -11.502 -3.131 69 HA CYS 49 HA CYS 49 11.822 -9.196 -1.809 70 1HB CYS 49 2HB CYS 49 9.427 -9.795 -3.517 71 2HB CYS 49 3HB CYS 49 9.407 -8.315 -2.526 72 H ALA 50 H ALA 50 10.012 -11.877 -0.682 73 HA ALA 50 HA ALA 50 8.279 -10.496 1.085 74 1HB ALA 50 1HB ALA 50 8.240 -12.840 2.171 75 2HB ALA 50 2HB ALA 50 7.681 -12.709 0.487 76 3HB ALA 50 3HB ALA 50 9.310 -13.336 0.838 77 H SER 51 H SER 51 11.699 -11.171 1.026 78 HA SER 51 HA SER 51 12.010 -11.167 3.842 79 1HB SER 51 2HB SER 51 13.568 -11.986 1.740 80 2HB SER 51 3HB SER 51 14.332 -10.452 2.105 81 HG SER 51 HG SER 51 14.752 -11.136 4.232 82 H GLY 52 H GLY 52 11.346 -8.774 1.483 83 1HA GLY 52 1HA GLY 52 10.885 -6.591 2.619 84 2HA GLY 52 2HA GLY 52 12.553 -6.652 3.153 85 H CYS 53 H CYS 53 11.187 -7.675 -0.038 86 HA CYS 53 HA CYS 53 11.599 -7.020 -2.090 87 1HB CYS 53 2HB CYS 53 10.767 -4.807 -1.037 88 2HB CYS 53 3HB CYS 53 12.442 -4.297 -1.128 89 H VAL 54 H VAL 54 13.359 -8.024 -3.006 90 HA VAL 54 HA VAL 54 15.989 -7.449 -1.902 91 HB VAL 54 HB VAL 54 16.495 -9.540 -2.453 92 1HG1 VAL 54 1HG1 VAL 54 14.030 -9.599 -1.625 93 2HG1 VAL 54 2HG1 VAL 54 13.647 -10.037 -3.307 94 3HG1 VAL 54 3HG1 VAL 54 14.733 -11.067 -2.345 95 1HG2 VAL 54 1HG2 VAL 54 16.971 -9.343 -4.704 96 2HG2 VAL 54 2HG2 VAL 54 15.649 -10.535 -4.740 97 3HG2 VAL 54 3HG2 VAL 54 15.319 -8.828 -5.123 98 H CYS 55 H CYS 55 14.017 -5.970 -3.955 99 HA CYS 55 HA CYS 55 15.928 -5.550 -6.162 100 1HB CYS 55 2HB CYS 55 13.221 -4.238 -5.762 101 2HB CYS 55 3HB CYS 55 14.122 -4.476 -7.279 102 H LYS 56 H LYS 56 15.347 -4.299 -3.022 103 HA LYS 56 HA LYS 56 15.712 -1.551 -3.619 104 1HB LYS 56 2HB LYS 56 15.103 -3.161 -1.351 105 2HB LYS 56 3HB LYS 56 16.519 -2.214 -0.944 106 1HG LYS 56 2HG LYS 56 14.368 -0.728 -2.393 107 2HG LYS 56 3HG LYS 56 13.944 -1.272 -0.783 108 1HD LYS 56 2HD LYS 56 14.904 0.846 -0.375 109 2HD LYS 56 3HD LYS 56 16.231 -0.247 -0.036 110 1HE LYS 56 2HE LYS 56 17.443 0.977 -1.525 111 2HE LYS 56 3HE LYS 56 16.508 0.187 -2.780 112 1HZ LYS 56 1HZ LYS 56 16.021 2.796 -1.555 113 2HZ LYS 56 2HZ LYS 56 16.220 2.436 -3.136 114 3HZ LYS 56 3HZ LYS 56 14.840 2.016 -2.370 115 H GLY 57 H GLY 57 17.523 -0.639 -4.411 116 1HA GLY 57 1HA GLY 57 19.780 -0.046 -4.107 117 2HA GLY 57 2HA GLY 57 20.107 -1.617 -3.402 118 H LYS 58 H LYS 58 19.117 -3.472 -5.152 119 HA LYS 58 HA LYS 58 20.762 -2.959 -7.509 120 1HB LYS 58 2HB LYS 58 20.686 -5.420 -7.787 121 2HB LYS 58 3HB LYS 58 21.390 -4.915 -6.265 122 1HG LYS 58 2HG LYS 58 18.538 -5.187 -5.878 123 2HG LYS 58 3HG LYS 58 19.112 -6.628 -6.695 124 1HD LYS 58 2HD LYS 58 20.593 -5.525 -4.280 125 2HD LYS 58 3HD LYS 58 19.188 -6.552 -4.072 126 1HE LYS 58 2HE LYS 58 20.604 -8.323 -4.272 127 2HE LYS 58 3HE LYS 58 20.687 -7.947 -5.982 128 1HZ LYS 58 1HZ LYS 58 22.856 -8.031 -4.941 129 2HZ LYS 58 2HZ LYS 58 22.563 -6.544 -5.547 130 3HZ LYS 58 3HZ LYS 58 22.464 -6.804 -3.938 131 H THR 59 H THR 59 19.793 -4.372 -9.509 132 HA THR 59 HA THR 59 17.254 -3.079 -10.042 133 HB THR 59 HB THR 59 19.453 -4.456 -11.602 134 HG1 THR 59 1HG THR 59 17.775 -2.070 -11.920 135 1HG2 THR 59 1HG2 THR 59 17.965 -5.287 -13.134 136 2HG2 THR 59 2HG2 THR 59 16.587 -4.558 -12.275 137 3HG2 THR 59 3HG2 THR 59 17.505 -3.599 -13.461 138 H CYS 60 H CYS 60 18.009 -6.238 -11.431 139 HA CYS 60 HA CYS 60 16.600 -7.836 -9.688 140 1HB CYS 60 2HB CYS 60 14.779 -6.142 -10.673 141 2HB CYS 60 3HB CYS 60 14.757 -7.321 -11.970 142 H ASP 61 H ASP 61 18.518 -9.025 -10.426 143 HA ASP 61 HA ASP 61 18.095 -10.147 -13.083 144 1HB ASP 61 2HB ASP 61 20.566 -10.383 -13.273 145 2HB ASP 61 3HB ASP 61 20.084 -8.705 -13.114 146 H THR 62 H THR 62 20.053 -12.195 -12.949 147 HA THR 62 HA THR 62 18.790 -14.135 -11.391 148 HB THR 62 HB THR 62 21.081 -13.852 -13.225 149 HG1 THR 62 1HG THR 62 19.340 -16.017 -12.272 150 1HG2 THR 62 1HG2 THR 62 22.451 -14.688 -11.357 151 2HG2 THR 62 2HG2 THR 62 21.201 -15.884 -10.936 152 3HG2 THR 62 3HG2 THR 62 22.111 -16.044 -12.458 153 H SER 63 H SER 63 20.883 -11.589 -10.431 154 HA SER 63 HA SER 63 21.620 -13.104 -8.057 155 1HB SER 63 2HB SER 63 23.372 -11.872 -9.538 156 2HB SER 63 3HB SER 63 22.731 -10.391 -8.857 157 HG SER 63 HG SER 63 23.578 -12.565 -7.162 158 H CYS 64 H CYS 64 18.939 -11.788 -8.787 159 HA CYS 64 HA CYS 64 18.797 -10.115 -6.390 160 1HB CYS 64 2HB CYS 64 18.758 -8.775 -8.529 161 2HB CYS 64 3HB CYS 64 17.247 -9.570 -8.927 162 H CYS 65 H CYS 65 16.434 -11.155 -8.858 163 HA CYS 65 HA CYS 65 15.122 -12.895 -6.821 164 1HB CYS 65 2HB CYS 65 13.817 -11.088 -8.899 165 2HB CYS 65 3HB CYS 65 12.959 -12.201 -7.806 166 H GLN 66 H GLN 66 16.316 -12.428 -10.130 167 HA GLN 66 HA GLN 66 14.880 -14.671 -11.119 168 1HB GLN 66 2HB GLN 66 17.333 -13.579 -12.490 169 2HB GLN 66 3HB GLN 66 15.837 -14.156 -13.196 170 1HG GLN 66 2HG GLN 66 16.326 -11.507 -11.779 171 2HG GLN 66 3HG GLN 66 15.815 -11.759 -13.436 172 1HE2 GLN 66 1HE2 GLN 66 14.712 -10.456 -10.866 173 2HE2 GLN 66 2HE2 GLN 66 13.056 -10.959 -10.801 Start of MODEL 3 1 H SER 37 H SER 37 1.054 -2.643 -4.397 2 HA SER 37 HA SER 37 2.167 -5.250 -4.575 3 1HB SER 37 2HB SER 37 2.992 -2.753 -6.115 4 2HB SER 37 3HB SER 37 3.263 -4.420 -6.587 5 HG SER 37 HG SER 37 0.870 -4.657 -6.641 6 H CYS 38 H CYS 38 4.756 -5.231 -5.089 7 HA CYS 38 HA CYS 38 5.943 -3.854 -2.792 8 1HB CYS 38 2HB CYS 38 5.943 -6.292 -2.600 9 2HB CYS 38 3HB CYS 38 6.782 -6.434 -4.132 10 H CYS 39 H CYS 39 6.256 -4.868 -6.186 11 HA CYS 39 HA CYS 39 7.645 -2.470 -6.945 12 1HB CYS 39 2HB CYS 39 9.724 -3.764 -7.740 13 2HB CYS 39 3HB CYS 39 9.608 -3.429 -5.995 14 HA PRO 40 HA PRO 40 5.846 -3.971 -10.612 15 1HB PRO 40 2HB PRO 40 6.737 -2.096 -12.390 16 2HB PRO 40 3HB PRO 40 5.351 -1.846 -11.347 17 1HG PRO 40 2HG PRO 40 8.075 -0.722 -11.112 18 2HG PRO 40 3HG PRO 40 6.592 -0.172 -10.358 19 1HD PRO 40 2HD PRO 40 8.706 -1.654 -9.108 20 2HD PRO 40 3HD PRO 40 7.173 -1.204 -8.387 21 H CYS 41 H CYS 41 8.698 -4.712 -9.695 22 HA CYS 41 HA CYS 41 9.447 -5.731 -12.340 23 1HB CYS 41 2HB CYS 41 11.775 -5.698 -11.625 24 2HB CYS 41 3HB CYS 41 11.067 -4.095 -11.624 25 H CYS 42 H CYS 42 7.688 -6.653 -9.904 26 HA CYS 42 HA CYS 42 8.625 -9.349 -9.978 27 1HB CYS 42 2HB CYS 42 8.752 -7.786 -7.400 28 2HB CYS 42 3HB CYS 42 8.614 -9.533 -7.439 29 HA PRO 43 HA PRO 43 4.333 -9.822 -9.406 30 1HB PRO 43 2HB PRO 43 4.132 -12.372 -8.443 31 2HB PRO 43 3HB PRO 43 4.378 -12.004 -10.139 32 1HG PRO 43 2HG PRO 43 6.324 -13.026 -8.162 33 2HG PRO 43 3HG PRO 43 6.419 -13.055 -9.912 34 1HD PRO 43 2HD PRO 43 7.813 -11.275 -8.147 35 2HD PRO 43 3HD PRO 43 7.817 -11.230 -9.899 36 H SER 44 H SER 44 2.479 -10.338 -7.891 37 HA SER 44 HA SER 44 3.052 -8.901 -5.546 38 1HB SER 44 2HB SER 44 0.614 -9.755 -4.985 39 2HB SER 44 3HB SER 44 0.860 -8.579 -6.262 40 HG SER 44 HG SER 44 -0.191 -9.997 -7.479 41 H GLY 45 H GLY 45 4.912 -10.698 -5.176 42 1HA GLY 45 1HA GLY 45 4.214 -12.102 -2.837 43 2HA GLY 45 2HA GLY 45 4.245 -13.224 -4.182 44 H CYS 46 H CYS 46 6.236 -13.597 -5.365 45 HA CYS 46 HA CYS 46 8.390 -14.080 -5.351 46 1HB CYS 46 2HB CYS 46 8.387 -11.837 -6.347 47 2HB CYS 46 3HB CYS 46 8.629 -11.121 -4.766 48 H THR 47 H THR 47 8.740 -15.486 -3.598 49 HA THR 47 HA THR 47 8.613 -14.830 -0.925 50 HB THR 47 HB THR 47 10.648 -16.838 -1.870 51 HG1 THR 47 1HG THR 47 7.769 -16.726 -2.420 52 1HG2 THR 47 1HG2 THR 47 9.312 -18.328 -0.390 53 2HG2 THR 47 2HG2 THR 47 9.783 -16.853 0.489 54 3HG2 THR 47 3HG2 THR 47 8.126 -17.024 -0.140 55 H LYS 48 H LYS 48 10.993 -13.883 -3.287 56 HA LYS 48 HA LYS 48 13.103 -13.496 -1.416 57 1HB LYS 48 2HB LYS 48 12.650 -13.195 -4.286 58 2HB LYS 48 3HB LYS 48 13.591 -11.871 -3.630 59 1HG LYS 48 2HG LYS 48 14.640 -14.187 -2.376 60 2HG LYS 48 3HG LYS 48 14.367 -14.667 -4.039 61 1HD LYS 48 2HD LYS 48 15.527 -12.351 -4.618 62 2HD LYS 48 3HD LYS 48 16.144 -12.452 -2.980 63 1HE LYS 48 2HE LYS 48 17.684 -13.454 -4.732 64 2HE LYS 48 3HE LYS 48 17.271 -14.552 -3.432 65 1HZ LYS 48 1HZ LYS 48 15.843 -15.711 -4.790 66 2HZ LYS 48 2HZ LYS 48 15.670 -14.501 -5.871 67 3HZ LYS 48 3HZ LYS 48 17.061 -15.352 -5.816 68 H CYS 49 H CYS 49 10.531 -11.526 -2.863 69 HA CYS 49 HA CYS 49 11.379 -9.127 -1.408 70 1HB CYS 49 2HB CYS 49 9.238 -9.828 -3.417 71 2HB CYS 49 3HB CYS 49 9.110 -8.328 -2.466 72 H ALA 50 H ALA 50 9.649 -11.980 -0.639 73 HA ALA 50 HA ALA 50 7.588 -10.765 0.906 74 1HB ALA 50 1HB ALA 50 7.040 -12.994 1.506 75 2HB ALA 50 2HB ALA 50 7.670 -13.115 -0.154 76 3HB ALA 50 3HB ALA 50 8.701 -13.569 1.224 77 H SER 51 H SER 51 10.908 -12.019 1.501 78 HA SER 51 HA SER 51 10.625 -11.451 4.299 79 1HB SER 51 2HB SER 51 12.154 -13.255 2.807 80 2HB SER 51 3HB SER 51 13.338 -12.063 3.305 81 HG SER 51 HG SER 51 11.839 -13.890 4.867 82 H GLY 52 H GLY 52 10.991 -9.553 1.637 83 1HA GLY 52 1HA GLY 52 11.446 -7.184 2.472 84 2HA GLY 52 2HA GLY 52 13.048 -7.803 2.821 85 H CYS 53 H CYS 53 11.381 -6.034 0.598 86 HA CYS 53 HA CYS 53 11.825 -7.048 -1.863 87 1HB CYS 53 2HB CYS 53 10.698 -4.902 -1.312 88 2HB CYS 53 3HB CYS 53 12.268 -4.166 -1.058 89 H VAL 54 H VAL 54 13.672 -8.013 -2.643 90 HA VAL 54 HA VAL 54 16.236 -7.133 -1.618 91 HB VAL 54 HB VAL 54 17.073 -9.132 -2.413 92 1HG1 VAL 54 1HG1 VAL 54 15.327 -10.898 -1.893 93 2HG1 VAL 54 2HG1 VAL 54 15.578 -9.663 -0.636 94 3HG1 VAL 54 3HG1 VAL 54 14.158 -9.568 -1.705 95 1HG2 VAL 54 1HG2 VAL 54 15.212 -10.396 -4.066 96 2HG2 VAL 54 2HG2 VAL 54 15.209 -8.702 -4.614 97 3HG2 VAL 54 3HG2 VAL 54 16.733 -9.621 -4.570 98 H CYS 55 H CYS 55 14.181 -5.926 -3.764 99 HA CYS 55 HA CYS 55 15.974 -5.566 -6.051 100 1HB CYS 55 2HB CYS 55 13.377 -4.093 -5.537 101 2HB CYS 55 3HB CYS 55 14.124 -4.535 -7.092 102 H LYS 56 H LYS 56 15.610 -4.152 -2.929 103 HA LYS 56 HA LYS 56 16.056 -1.456 -3.670 104 1HB LYS 56 2HB LYS 56 15.482 -2.916 -1.313 105 2HB LYS 56 3HB LYS 56 16.994 -2.083 -1.015 106 1HG LYS 56 2HG LYS 56 14.873 -0.474 -2.388 107 2HG LYS 56 3HG LYS 56 14.537 -0.913 -0.725 108 1HD LYS 56 2HD LYS 56 17.309 0.005 -1.028 109 2HD LYS 56 3HD LYS 56 16.183 1.209 -1.623 110 1HE LYS 56 2HE LYS 56 15.305 -0.002 0.930 111 2HE LYS 56 3HE LYS 56 16.865 0.785 1.061 112 1HZ LYS 56 1HZ LYS 56 15.967 2.791 0.415 113 2HZ LYS 56 2HZ LYS 56 14.636 2.132 -0.262 114 3HZ LYS 56 3HZ LYS 56 14.789 2.175 1.363 115 H GLY 57 H GLY 57 17.856 -0.618 -4.562 116 1HA GLY 57 1HA GLY 57 20.177 -0.137 -4.291 117 2HA GLY 57 2HA GLY 57 20.447 -1.786 -3.761 118 H LYS 58 H LYS 58 19.317 -3.442 -5.564 119 HA LYS 58 HA LYS 58 20.674 -2.686 -8.046 120 1HB LYS 58 2HB LYS 58 20.759 -5.118 -8.481 121 2HB LYS 58 3HB LYS 58 21.600 -4.656 -7.016 122 1HG LYS 58 2HG LYS 58 18.877 -5.175 -6.273 123 2HG LYS 58 3HG LYS 58 19.372 -6.488 -7.322 124 1HD LYS 58 2HD LYS 58 21.470 -6.742 -5.897 125 2HD LYS 58 3HD LYS 58 20.810 -5.548 -4.798 126 1HE LYS 58 2HE LYS 58 19.341 -7.039 -3.871 127 2HE LYS 58 3HE LYS 58 18.867 -7.684 -5.430 128 1HZ LYS 58 1HZ LYS 58 21.001 -8.890 -5.436 129 2HZ LYS 58 2HZ LYS 58 21.274 -8.392 -3.905 130 3HZ LYS 58 3HZ LYS 58 19.996 -9.355 -4.235 131 H THR 59 H THR 59 19.540 -4.129 -9.973 132 HA THR 59 HA THR 59 16.928 -2.928 -10.185 133 HB THR 59 HB THR 59 18.899 -4.380 -11.974 134 HG1 THR 59 1HG THR 59 17.230 -1.983 -12.207 135 1HG2 THR 59 1HG2 THR 59 15.978 -4.475 -12.256 136 2HG2 THR 59 2HG2 THR 59 16.710 -3.513 -13.562 137 3HG2 THR 59 3HG2 THR 59 17.224 -5.198 -13.302 138 H CYS 60 H CYS 60 17.469 -6.116 -11.587 139 HA CYS 60 HA CYS 60 16.317 -7.657 -9.605 140 1HB CYS 60 2HB CYS 60 14.372 -6.031 -10.285 141 2HB CYS 60 3HB CYS 60 14.217 -7.095 -11.669 142 H ASP 61 H ASP 61 18.159 -8.834 -10.567 143 HA ASP 61 HA ASP 61 17.374 -10.090 -13.077 144 1HB ASP 61 2HB ASP 61 19.783 -10.270 -13.648 145 2HB ASP 61 3HB ASP 61 19.297 -8.597 -13.464 146 H THR 62 H THR 62 19.451 -12.057 -13.125 147 HA THR 62 HA THR 62 18.478 -13.976 -11.351 148 HB THR 62 HB THR 62 20.506 -13.679 -13.462 149 HG1 THR 62 1HG THR 62 18.481 -14.950 -13.444 150 1HG2 THR 62 1HG2 THR 62 22.118 -14.317 -11.670 151 2HG2 THR 62 2HG2 THR 62 21.032 -15.630 -11.156 152 3HG2 THR 62 3HG2 THR 62 21.819 -15.700 -12.751 153 H SER 63 H SER 63 20.538 -11.299 -10.743 154 HA SER 63 HA SER 63 21.624 -12.671 -8.419 155 1HB SER 63 2HB SER 63 23.120 -11.410 -10.139 156 2HB SER 63 3HB SER 63 22.478 -9.938 -9.437 157 HG SER 63 HG SER 63 23.176 -11.173 -7.297 158 H CYS 64 H CYS 64 18.807 -11.527 -8.873 159 HA CYS 64 HA CYS 64 18.842 -9.794 -6.519 160 1HB CYS 64 2HB CYS 64 18.528 -8.512 -8.680 161 2HB CYS 64 3HB CYS 64 17.008 -9.360 -8.879 162 H CYS 65 H CYS 65 16.302 -11.001 -8.725 163 HA CYS 65 HA CYS 65 15.263 -12.728 -6.527 164 1HB CYS 65 2HB CYS 65 13.687 -11.054 -8.527 165 2HB CYS 65 3HB CYS 65 12.990 -12.156 -7.313 166 H GLN 66 H GLN 66 16.069 -12.293 -9.968 167 HA GLN 66 HA GLN 66 14.664 -14.619 -10.761 168 1HB GLN 66 2HB GLN 66 16.961 -13.345 -12.282 169 2HB GLN 66 3HB GLN 66 15.586 -14.216 -12.931 170 1HG GLN 66 2HG GLN 66 15.551 -11.468 -11.606 171 2HG GLN 66 3HG GLN 66 15.228 -11.827 -13.291 172 1HE2 GLN 66 1HE2 GLN 66 13.576 -10.493 -11.306 173 2HE2 GLN 66 2HE2 GLN 66 12.083 -11.364 -11.195 Start of MODEL 4 1 H SER 37 H SER 37 1.285 -4.047 -2.037 2 HA SER 37 HA SER 37 2.128 -5.998 -3.942 3 1HB SER 37 2HB SER 37 0.812 -3.802 -4.989 4 2HB SER 37 3HB SER 37 2.476 -3.254 -5.028 5 HG SER 37 HG SER 37 2.866 -5.522 -6.033 6 H CYS 38 H CYS 38 4.459 -5.076 -4.861 7 HA CYS 38 HA CYS 38 5.771 -3.808 -2.571 8 1HB CYS 38 2HB CYS 38 6.180 -6.238 -2.551 9 2HB CYS 38 3HB CYS 38 6.837 -6.144 -4.172 10 H CYS 39 H CYS 39 6.741 -5.085 -5.776 11 HA CYS 39 HA CYS 39 7.267 -2.322 -6.723 12 1HB CYS 39 2HB CYS 39 9.441 -3.194 -7.690 13 2HB CYS 39 3HB CYS 39 9.414 -3.078 -5.913 14 HA PRO 40 HA PRO 40 5.389 -4.022 -10.258 15 1HB PRO 40 2HB PRO 40 5.898 -2.054 -12.084 16 2HB PRO 40 3HB PRO 40 4.583 -1.972 -10.928 17 1HG PRO 40 2HG PRO 40 7.163 -0.529 -10.908 18 2HG PRO 40 3HG PRO 40 5.693 -0.160 -10.028 19 1HD PRO 40 2HD PRO 40 8.065 -1.377 -8.971 20 2HD PRO 40 3HD PRO 40 6.555 -1.115 -8.122 21 H CYS 41 H CYS 41 8.387 -4.394 -9.591 22 HA CYS 41 HA CYS 41 9.087 -5.215 -12.314 23 1HB CYS 41 2HB CYS 41 11.116 -4.379 -12.038 24 2HB CYS 41 3HB CYS 41 10.498 -3.567 -10.612 25 H CYS 42 H CYS 42 7.573 -6.391 -9.718 26 HA CYS 42 HA CYS 42 8.721 -9.023 -10.088 27 1HB CYS 42 2HB CYS 42 8.694 -7.558 -7.471 28 2HB CYS 42 3HB CYS 42 8.485 -9.298 -7.498 29 HA PRO 43 HA PRO 43 4.500 -10.033 -9.726 30 1HB PRO 43 2HB PRO 43 4.531 -12.590 -8.761 31 2HB PRO 43 3HB PRO 43 4.842 -12.196 -10.439 32 1HG PRO 43 2HG PRO 43 6.763 -12.986 -8.336 33 2HG PRO 43 3HG PRO 43 6.972 -13.003 -10.076 34 1HD PRO 43 2HD PRO 43 8.037 -11.076 -8.238 35 2HD PRO 43 3HD PRO 43 8.147 -11.030 -9.987 36 H SER 44 H SER 44 2.605 -10.618 -8.364 37 HA SER 44 HA SER 44 2.893 -9.190 -5.973 38 1HB SER 44 2HB SER 44 0.593 -11.060 -6.651 39 2HB SER 44 3HB SER 44 0.546 -9.624 -5.648 40 HG SER 44 HG SER 44 1.166 -8.409 -7.661 41 H GLY 45 H GLY 45 4.861 -10.802 -5.442 42 1HA GLY 45 1HA GLY 45 4.137 -12.268 -3.166 43 2HA GLY 45 2HA GLY 45 4.318 -13.391 -4.498 44 H CYS 46 H CYS 46 6.392 -13.623 -5.575 45 HA CYS 46 HA CYS 46 8.570 -13.960 -5.438 46 1HB CYS 46 2HB CYS 46 8.488 -11.743 -6.461 47 2HB CYS 46 3HB CYS 46 8.551 -10.987 -4.882 48 H THR 47 H THR 47 8.934 -15.328 -3.661 49 HA THR 47 HA THR 47 8.645 -14.592 -0.993 50 HB THR 47 HB THR 47 9.623 -16.837 -2.615 51 HG1 THR 47 1HG THR 47 8.654 -16.360 0.116 52 1HG2 THR 47 1HG2 THR 47 10.964 -16.272 0.084 53 2HG2 THR 47 2HG2 THR 47 10.978 -17.847 -0.747 54 3HG2 THR 47 3HG2 THR 47 11.799 -16.448 -1.479 55 H LYS 48 H LYS 48 11.061 -13.668 -3.301 56 HA LYS 48 HA LYS 48 13.145 -13.275 -1.400 57 1HB LYS 48 2HB LYS 48 12.735 -12.979 -4.281 58 2HB LYS 48 3HB LYS 48 13.682 -11.668 -3.608 59 1HG LYS 48 2HG LYS 48 14.730 -13.934 -2.323 60 2HG LYS 48 3HG LYS 48 14.394 -14.515 -3.942 61 1HD LYS 48 2HD LYS 48 15.549 -12.111 -4.556 62 2HD LYS 48 3HD LYS 48 16.357 -12.441 -3.037 63 1HE LYS 48 2HE LYS 48 16.532 -14.911 -4.266 64 2HE LYS 48 3HE LYS 48 16.601 -13.846 -5.655 65 1HZ LYS 48 1HZ LYS 48 18.493 -14.169 -3.524 66 2HZ LYS 48 2HZ LYS 48 18.739 -13.746 -5.082 67 3HZ LYS 48 3HZ LYS 48 18.256 -12.624 -3.998 68 H CYS 49 H CYS 49 10.584 -11.327 -2.887 69 HA CYS 49 HA CYS 49 11.409 -8.913 -1.437 70 1HB CYS 49 2HB CYS 49 9.308 -9.628 -3.485 71 2HB CYS 49 3HB CYS 49 9.161 -8.122 -2.544 72 H ALA 50 H ALA 50 9.697 -11.764 -0.662 73 HA ALA 50 HA ALA 50 7.564 -10.589 0.792 74 1HB ALA 50 1HB ALA 50 7.677 -12.995 1.863 75 2HB ALA 50 2HB ALA 50 7.182 -12.801 0.165 76 3HB ALA 50 3HB ALA 50 8.843 -13.309 0.556 77 H SER 51 H SER 51 10.865 -11.817 1.616 78 HA SER 51 HA SER 51 10.473 -11.035 4.341 79 1HB SER 51 2HB SER 51 12.068 -12.924 3.036 80 2HB SER 51 3HB SER 51 13.228 -11.696 3.504 81 HG SER 51 HG SER 51 11.626 -12.043 5.633 82 H GLY 52 H GLY 52 10.949 -9.314 1.577 83 1HA GLY 52 1HA GLY 52 11.382 -6.890 2.332 84 2HA GLY 52 2HA GLY 52 12.985 -7.502 2.688 85 H CYS 53 H CYS 53 11.556 -5.657 0.498 86 HA CYS 53 HA CYS 53 11.904 -6.840 -1.964 87 1HB CYS 53 2HB CYS 53 10.726 -4.721 -1.575 88 2HB CYS 53 3HB CYS 53 12.246 -3.930 -1.208 89 H VAL 54 H VAL 54 13.754 -7.706 -2.835 90 HA VAL 54 HA VAL 54 16.307 -6.819 -1.768 91 HB VAL 54 HB VAL 54 17.151 -8.822 -2.484 92 1HG1 VAL 54 1HG1 VAL 54 14.193 -9.392 -2.102 93 2HG1 VAL 54 2HG1 VAL 54 15.496 -10.601 -2.006 94 3HG1 VAL 54 3HG1 VAL 54 15.427 -9.271 -0.824 95 1HG2 VAL 54 1HG2 VAL 54 16.965 -9.154 -4.705 96 2HG2 VAL 54 2HG2 VAL 54 15.545 -10.136 -4.273 97 3HG2 VAL 54 3HG2 VAL 54 15.335 -8.442 -4.777 98 H CYS 55 H CYS 55 14.224 -5.709 -3.974 99 HA CYS 55 HA CYS 55 16.029 -5.314 -6.237 100 1HB CYS 55 2HB CYS 55 13.399 -3.893 -5.738 101 2HB CYS 55 3HB CYS 55 14.167 -4.305 -7.291 102 H LYS 56 H LYS 56 15.590 -3.862 -3.132 103 HA LYS 56 HA LYS 56 15.931 -1.171 -3.820 104 1HB LYS 56 2HB LYS 56 15.461 -2.607 -1.515 105 2HB LYS 56 3HB LYS 56 17.095 -2.031 -1.258 106 1HG LYS 56 2HG LYS 56 14.917 -0.152 -2.244 107 2HG LYS 56 3HG LYS 56 15.106 -0.490 -0.536 108 1HD LYS 56 2HD LYS 56 17.521 0.344 -2.165 109 2HD LYS 56 3HD LYS 56 16.380 1.563 -1.630 110 1HE LYS 56 2HE LYS 56 17.518 -0.457 0.337 111 2HE LYS 56 3HE LYS 56 18.424 0.983 -0.084 112 1HZ LYS 56 1HZ LYS 56 16.273 0.759 1.660 113 2HZ LYS 56 2HZ LYS 56 17.168 2.084 1.324 114 3HZ LYS 56 3HZ LYS 56 15.827 1.761 0.449 115 H GLY 57 H GLY 57 18.160 -3.924 -3.557 116 1HA GLY 57 1HA GLY 57 20.542 -2.326 -3.501 117 2HA GLY 57 2HA GLY 57 20.414 -4.056 -3.753 118 H LYS 58 H LYS 58 19.821 -4.873 -5.934 119 HA LYS 58 HA LYS 58 20.787 -3.014 -7.975 120 1HB LYS 58 2HB LYS 58 21.265 -5.043 -9.287 121 2HB LYS 58 3HB LYS 58 22.110 -5.023 -7.753 122 1HG LYS 58 2HG LYS 58 19.441 -6.292 -7.575 123 2HG LYS 58 3HG LYS 58 20.505 -7.104 -8.705 124 1HD LYS 58 2HD LYS 58 21.452 -6.347 -5.914 125 2HD LYS 58 3HD LYS 58 20.586 -7.842 -6.203 126 1HE LYS 58 2HE LYS 58 22.322 -8.393 -8.007 127 2HE LYS 58 3HE LYS 58 23.230 -6.992 -7.472 128 1HZ LYS 58 1HZ LYS 58 23.434 -7.952 -5.327 129 2HZ LYS 58 2HZ LYS 58 22.441 -9.195 -5.697 130 3HZ LYS 58 3HZ LYS 58 23.902 -9.076 -6.415 131 H THR 59 H THR 59 19.754 -3.907 -10.285 132 HA THR 59 HA THR 59 17.141 -2.926 -10.252 133 HB THR 59 HB THR 59 19.023 -4.264 -12.182 134 HG1 THR 59 1HG THR 59 17.141 -2.018 -12.300 135 1HG2 THR 59 1HG2 THR 59 16.789 -3.644 -13.734 136 2HG2 THR 59 2HG2 THR 59 17.307 -5.296 -13.318 137 3HG2 THR 59 3HG2 THR 59 16.063 -4.480 -12.341 138 H CYS 60 H CYS 60 17.667 -6.167 -11.643 139 HA CYS 60 HA CYS 60 16.412 -7.635 -9.674 140 1HB CYS 60 2HB CYS 60 14.524 -5.987 -10.540 141 2HB CYS 60 3HB CYS 60 14.387 -7.174 -11.822 142 H ASP 61 H ASP 61 18.316 -8.806 -10.567 143 HA ASP 61 HA ASP 61 17.589 -10.155 -13.047 144 1HB ASP 61 2HB ASP 61 20.014 -10.348 -13.548 145 2HB ASP 61 3HB ASP 61 19.517 -8.671 -13.435 146 H THR 62 H THR 62 19.647 -12.129 -12.990 147 HA THR 62 HA THR 62 18.640 -13.985 -11.174 148 HB THR 62 HB THR 62 20.749 -13.750 -13.228 149 HG1 THR 62 1HG THR 62 19.618 -15.628 -13.741 150 1HG2 THR 62 1HG2 THR 62 21.135 -15.614 -10.828 151 2HG2 THR 62 2HG2 THR 62 21.912 -15.860 -12.411 152 3HG2 THR 62 3HG2 THR 62 22.303 -14.419 -11.441 153 H SER 63 H SER 63 20.710 -11.297 -10.619 154 HA SER 63 HA SER 63 21.741 -12.592 -8.227 155 1HB SER 63 2HB SER 63 23.261 -11.373 -9.965 156 2HB SER 63 3HB SER 63 22.614 -9.888 -9.297 157 HG SER 63 HG SER 63 23.308 -10.818 -7.130 158 H CYS 64 H CYS 64 18.935 -11.450 -8.786 159 HA CYS 64 HA CYS 64 18.921 -9.652 -6.479 160 1HB CYS 64 2HB CYS 64 18.656 -8.433 -8.682 161 2HB CYS 64 3HB CYS 64 17.140 -9.286 -8.892 162 H CYS 65 H CYS 65 16.399 -10.879 -8.687 163 HA CYS 65 HA CYS 65 15.321 -12.557 -6.470 164 1HB CYS 65 2HB CYS 65 13.785 -10.931 -8.540 165 2HB CYS 65 3HB CYS 65 13.065 -11.991 -7.302 166 H GLN 66 H GLN 66 16.219 -12.228 -9.893 167 HA GLN 66 HA GLN 66 14.797 -14.549 -10.667 168 1HB GLN 66 2HB GLN 66 17.154 -13.324 -12.142 169 2HB GLN 66 3HB GLN 66 15.813 -14.229 -12.818 170 1HG GLN 66 2HG GLN 66 15.675 -11.454 -11.554 171 2HG GLN 66 3HG GLN 66 15.480 -11.836 -13.253 172 1HE2 GLN 66 1HE2 GLN 66 13.786 -10.761 -10.875 173 2HE2 GLN 66 2HE2 GLN 66 12.260 -11.563 -11.048 Start of MODEL 5 1 H SER 37 H SER 37 1.863 -4.290 -2.221 2 HA SER 37 HA SER 37 3.442 -5.610 -4.284 3 1HB SER 37 2HB SER 37 1.455 -4.650 -5.248 4 2HB SER 37 3HB SER 37 1.651 -3.155 -4.356 5 HG SER 37 HG SER 37 2.925 -2.403 -5.900 6 H CYS 38 H CYS 38 5.597 -5.349 -3.746 7 HA CYS 38 HA CYS 38 6.410 -2.917 -2.427 8 1HB CYS 38 2HB CYS 38 8.688 -4.074 -2.529 9 2HB CYS 38 3HB CYS 38 7.453 -4.749 -1.487 10 H CYS 39 H CYS 39 7.157 -4.806 -5.383 11 HA CYS 39 HA CYS 39 7.743 -2.274 -6.816 12 1HB CYS 39 2HB CYS 39 9.730 -3.325 -7.845 13 2HB CYS 39 3HB CYS 39 9.907 -3.217 -6.075 14 HA PRO 40 HA PRO 40 5.219 -4.340 -9.704 15 1HB PRO 40 2HB PRO 40 5.389 -2.589 -11.795 16 2HB PRO 40 3HB PRO 40 4.294 -2.366 -10.446 17 1HG PRO 40 2HG PRO 40 6.826 -0.958 -11.028 18 2HG PRO 40 3HG PRO 40 5.527 -0.480 -9.955 19 1HD PRO 40 2HD PRO 40 8.055 -1.601 -9.195 20 2HD PRO 40 3HD PRO 40 6.711 -1.231 -8.133 21 H CYS 41 H CYS 41 8.433 -4.316 -9.707 22 HA CYS 41 HA CYS 41 8.706 -5.395 -12.377 23 1HB CYS 41 2HB CYS 41 10.798 -4.694 -12.255 24 2HB CYS 41 3HB CYS 41 10.375 -3.918 -10.741 25 H CYS 42 H CYS 42 7.622 -6.446 -9.386 26 HA CYS 42 HA CYS 42 8.460 -9.176 -10.000 27 1HB CYS 42 2HB CYS 42 8.691 -7.737 -7.377 28 2HB CYS 42 3HB CYS 42 8.392 -9.464 -7.401 29 HA PRO 43 HA PRO 43 4.219 -9.945 -9.380 30 1HB PRO 43 2HB PRO 43 4.176 -12.546 -8.541 31 2HB PRO 43 3HB PRO 43 4.379 -12.083 -10.219 32 1HG PRO 43 2HG PRO 43 6.406 -13.084 -8.315 33 2HG PRO 43 3HG PRO 43 6.479 -13.023 -10.065 34 1HD PRO 43 2HD PRO 43 7.793 -11.253 -8.230 35 2HD PRO 43 3HD PRO 43 7.771 -11.124 -9.977 36 H SER 44 H SER 44 2.411 -10.580 -7.884 37 HA SER 44 HA SER 44 2.944 -9.253 -5.472 38 1HB SER 44 2HB SER 44 0.535 -11.003 -6.116 39 2HB SER 44 3HB SER 44 0.608 -9.703 -4.944 40 HG SER 44 HG SER 44 1.311 -8.999 -7.595 41 H GLY 45 H GLY 45 4.888 -10.949 -5.173 42 1HA GLY 45 1HA GLY 45 4.264 -12.518 -2.920 43 2HA GLY 45 2HA GLY 45 4.369 -13.563 -4.323 44 H CYS 46 H CYS 46 6.384 -13.733 -5.522 45 HA CYS 46 HA CYS 46 8.564 -14.132 -5.463 46 1HB CYS 46 2HB CYS 46 8.351 -11.842 -6.427 47 2HB CYS 46 3HB CYS 46 8.704 -11.174 -4.845 48 H THR 47 H THR 47 8.882 -15.513 -3.659 49 HA THR 47 HA THR 47 8.763 -14.797 -1.004 50 HB THR 47 HB THR 47 9.690 -17.010 -2.676 51 HG1 THR 47 1HG THR 47 9.074 -17.980 -0.458 52 1HG2 THR 47 1HG2 THR 47 11.935 -16.434 -1.629 53 2HG2 THR 47 2HG2 THR 47 11.165 -16.559 -0.030 54 3HG2 THR 47 3HG2 THR 47 11.281 -17.994 -1.076 55 H LYS 48 H LYS 48 11.129 -13.883 -3.398 56 HA LYS 48 HA LYS 48 13.237 -13.415 -1.550 57 1HB LYS 48 2HB LYS 48 12.751 -13.143 -4.426 58 2HB LYS 48 3HB LYS 48 13.714 -11.831 -3.780 59 1HG LYS 48 2HG LYS 48 14.813 -14.066 -2.510 60 2HG LYS 48 3HG LYS 48 14.405 -14.694 -4.095 61 1HD LYS 48 2HD LYS 48 15.539 -12.387 -4.907 62 2HD LYS 48 3HD LYS 48 16.349 -12.509 -3.358 63 1HE LYS 48 2HE LYS 48 17.752 -13.623 -4.994 64 2HE LYS 48 3HE LYS 48 17.061 -14.866 -3.971 65 1HZ LYS 48 1HZ LYS 48 15.238 -14.615 -5.917 66 2HZ LYS 48 2HZ LYS 48 16.627 -14.372 -6.740 67 3HZ LYS 48 3HZ LYS 48 16.416 -15.745 -5.884 68 H CYS 49 H CYS 49 10.607 -11.529 -2.994 69 HA CYS 49 HA CYS 49 11.424 -9.107 -1.529 70 1HB CYS 49 2HB CYS 49 9.354 -9.779 -3.631 71 2HB CYS 49 3HB CYS 49 9.263 -8.257 -2.711 72 H ALA 50 H ALA 50 9.600 -11.956 -0.917 73 HA ALA 50 HA ALA 50 7.384 -10.914 0.406 74 1HB ALA 50 1HB ALA 50 7.603 -13.184 1.665 75 2HB ALA 50 2HB ALA 50 7.357 -13.213 -0.098 76 3HB ALA 50 3HB ALA 50 8.982 -13.478 0.578 77 H SER 51 H SER 51 10.804 -11.266 1.344 78 HA SER 51 HA SER 51 10.221 -10.721 4.081 79 1HB SER 51 2HB SER 51 12.324 -11.925 2.732 80 2HB SER 51 3HB SER 51 13.015 -10.368 3.144 81 HG SER 51 HG SER 51 13.060 -12.329 4.750 82 H GLY 52 H GLY 52 10.199 -8.865 1.294 83 1HA GLY 52 1HA GLY 52 9.759 -6.442 2.264 84 2HA GLY 52 2HA GLY 52 11.504 -6.509 2.417 85 H CYS 53 H CYS 53 12.851 -6.681 0.505 86 HA CYS 53 HA CYS 53 11.830 -6.959 -2.057 87 1HB CYS 53 2HB CYS 53 10.734 -4.774 -1.492 88 2HB CYS 53 3HB CYS 53 12.329 -4.060 -1.355 89 H VAL 54 H VAL 54 13.668 -7.959 -2.812 90 HA VAL 54 HA VAL 54 16.240 -7.104 -1.812 91 HB VAL 54 HB VAL 54 17.060 -9.092 -2.689 92 1HG1 VAL 54 1HG1 VAL 54 15.789 -9.825 -0.908 93 2HG1 VAL 54 2HG1 VAL 54 14.250 -9.355 -1.667 94 3HG1 VAL 54 3HG1 VAL 54 15.113 -10.807 -2.229 95 1HG2 VAL 54 1HG2 VAL 54 16.595 -9.352 -4.892 96 2HG2 VAL 54 2HG2 VAL 54 15.313 -10.423 -4.277 97 3HG2 VAL 54 3HG2 VAL 54 14.931 -8.744 -4.727 98 H CYS 55 H CYS 55 14.170 -5.914 -3.997 99 HA CYS 55 HA CYS 55 16.042 -5.472 -6.215 100 1HB CYS 55 2HB CYS 55 13.295 -4.246 -5.775 101 2HB CYS 55 3HB CYS 55 14.176 -4.444 -7.310 102 H LYS 56 H LYS 56 15.482 -4.100 -3.115 103 HA LYS 56 HA LYS 56 15.733 -1.375 -3.793 104 1HB LYS 56 2HB LYS 56 15.118 -2.805 -1.529 105 2HB LYS 56 3HB LYS 56 16.727 -2.225 -1.150 106 1HG LYS 56 2HG LYS 56 16.099 0.043 -1.289 107 2HG LYS 56 3HG LYS 56 14.746 -0.284 -2.353 108 1HD LYS 56 2HD LYS 56 13.509 -0.018 -0.435 109 2HD LYS 56 3HD LYS 56 13.929 -1.698 -0.166 110 1HE LYS 56 2HE LYS 56 14.453 -0.507 1.875 111 2HE LYS 56 3HE LYS 56 15.981 -0.919 1.120 112 1HZ LYS 56 1HZ LYS 56 15.438 1.454 0.034 113 2HZ LYS 56 2HZ LYS 56 14.804 1.650 1.527 114 3HZ LYS 56 3HZ LYS 56 16.376 1.240 1.355 115 H GLY 57 H GLY 57 17.985 -4.071 -3.545 116 1HA GLY 57 1HA GLY 57 20.339 -2.489 -3.175 117 2HA GLY 57 2HA GLY 57 20.243 -4.177 -3.635 118 H LYS 58 H LYS 58 19.488 -4.633 -5.972 119 HA LYS 58 HA LYS 58 20.484 -2.496 -7.725 120 1HB LYS 58 2HB LYS 58 21.535 -4.161 -9.121 121 2HB LYS 58 3HB LYS 58 22.134 -4.314 -7.482 122 1HG LYS 58 2HG LYS 58 19.792 -5.975 -7.692 123 2HG LYS 58 3HG LYS 58 20.786 -6.299 -9.099 124 1HD LYS 58 2HD LYS 58 21.838 -7.749 -7.647 125 2HD LYS 58 3HD LYS 58 22.747 -6.309 -7.231 126 1HE LYS 58 2HE LYS 58 21.896 -6.277 -5.121 127 2HE LYS 58 3HE LYS 58 20.250 -6.396 -5.710 128 1HZ LYS 58 1HZ LYS 58 20.833 -8.823 -6.089 129 2HZ LYS 58 2HZ LYS 58 22.103 -8.565 -5.098 130 3HZ LYS 58 3HZ LYS 58 20.582 -8.336 -4.551 131 H THR 59 H THR 59 19.803 -3.426 -10.180 132 HA THR 59 HA THR 59 17.140 -2.834 -10.414 133 HB THR 59 HB THR 59 19.171 -4.332 -12.110 134 HG1 THR 59 1HG THR 59 17.564 -1.881 -12.298 135 1HG2 THR 59 1HG2 THR 59 17.035 -3.471 -13.767 136 2HG2 THR 59 2HG2 THR 59 17.503 -5.158 -13.443 137 3HG2 THR 59 3HG2 THR 59 16.253 -4.375 -12.447 138 H CYS 60 H CYS 60 17.772 -6.027 -11.720 139 HA CYS 60 HA CYS 60 16.709 -7.566 -9.689 140 1HB CYS 60 2HB CYS 60 14.690 -6.094 -10.185 141 2HB CYS 60 3HB CYS 60 14.578 -6.920 -11.726 142 H ASP 61 H ASP 61 18.551 -8.727 -10.651 143 HA ASP 61 HA ASP 61 17.788 -10.002 -13.159 144 1HB ASP 61 2HB ASP 61 20.197 -10.184 -13.698 145 2HB ASP 61 3HB ASP 61 19.725 -8.509 -13.498 146 H THR 62 H THR 62 19.888 -11.965 -13.157 147 HA THR 62 HA THR 62 18.866 -13.899 -11.435 148 HB THR 62 HB THR 62 21.064 -13.552 -13.398 149 HG1 THR 62 1HG THR 62 20.131 -15.665 -13.896 150 1HG2 THR 62 1HG2 THR 62 22.359 -14.381 -11.356 151 2HG2 THR 62 2HG2 THR 62 21.251 -15.773 -11.299 152 3HG2 THR 62 3HG2 THR 62 22.315 -15.541 -12.706 153 H SER 63 H SER 63 20.864 -11.204 -10.717 154 HA SER 63 HA SER 63 21.884 -12.581 -8.367 155 1HB SER 63 2HB SER 63 23.395 -11.231 -10.015 156 2HB SER 63 3HB SER 63 22.693 -9.801 -9.283 157 HG SER 63 HG SER 63 23.504 -11.579 -7.332 158 H CYS 64 H CYS 64 19.055 -11.491 -8.933 159 HA CYS 64 HA CYS 64 18.938 -9.822 -6.536 160 1HB CYS 64 2HB CYS 64 18.687 -8.528 -8.728 161 2HB CYS 64 3HB CYS 64 17.158 -9.360 -8.924 162 H CYS 65 H CYS 65 16.528 -11.016 -8.887 163 HA CYS 65 HA CYS 65 15.433 -12.832 -6.790 164 1HB CYS 65 2HB CYS 65 13.907 -11.126 -8.803 165 2HB CYS 65 3HB CYS 65 13.184 -12.279 -7.652 166 H GLN 66 H GLN 66 16.367 -12.268 -10.181 167 HA GLN 66 HA GLN 66 15.036 -14.568 -11.129 168 1HB GLN 66 2HB GLN 66 17.426 -13.194 -12.417 169 2HB GLN 66 3HB GLN 66 16.177 -14.130 -13.215 170 1HG GLN 66 2HG GLN 66 15.807 -11.439 -11.819 171 2HG GLN 66 3HG GLN 66 15.757 -11.727 -13.547 172 1HE2 GLN 66 1HE2 GLN 66 13.849 -10.925 -11.198 173 2HE2 GLN 66 2HE2 GLN 66 12.383 -11.778 -11.550 Start of MODEL 6 1 H SER 37 H SER 37 1.429 -4.619 -1.561 2 HA SER 37 HA SER 37 2.199 -5.803 -4.114 3 1HB SER 37 2HB SER 37 1.019 -3.293 -3.633 4 2HB SER 37 3HB SER 37 2.714 -2.919 -3.870 5 HG SER 37 HG SER 37 2.199 -4.659 -5.790 6 H CYS 38 H CYS 38 4.441 -4.376 -4.775 7 HA CYS 38 HA CYS 38 6.141 -4.053 -2.500 8 1HB CYS 38 2HB CYS 38 6.073 -6.549 -2.883 9 2HB CYS 38 3HB CYS 38 6.837 -6.266 -4.435 10 H CYS 39 H CYS 39 6.599 -5.085 -5.903 11 HA CYS 39 HA CYS 39 7.343 -2.356 -6.712 12 1HB CYS 39 2HB CYS 39 9.497 -3.255 -7.710 13 2HB CYS 39 3HB CYS 39 9.477 -3.165 -5.930 14 HA PRO 40 HA PRO 40 5.436 -3.916 -10.295 15 1HB PRO 40 2HB PRO 40 5.996 -1.914 -12.069 16 2HB PRO 40 3HB PRO 40 4.682 -1.830 -10.913 17 1HG PRO 40 2HG PRO 40 7.297 -0.452 -10.851 18 2HG PRO 40 3HG PRO 40 5.834 -0.071 -9.965 19 1HD PRO 40 2HD PRO 40 8.174 -1.372 -8.936 20 2HD PRO 40 3HD PRO 40 6.668 -1.096 -8.083 21 H CYS 41 H CYS 41 8.415 -4.390 -9.631 22 HA CYS 41 HA CYS 41 9.093 -5.171 -12.373 23 1HB CYS 41 2HB CYS 41 11.143 -4.383 -12.104 24 2HB CYS 41 3HB CYS 41 10.541 -3.559 -10.679 25 H CYS 42 H CYS 42 7.547 -6.373 -9.831 26 HA CYS 42 HA CYS 42 8.655 -9.010 -10.227 27 1HB CYS 42 2HB CYS 42 8.691 -7.584 -7.586 28 2HB CYS 42 3HB CYS 42 8.452 -9.319 -7.638 29 HA PRO 43 HA PRO 43 4.420 -9.942 -9.818 30 1HB PRO 43 2HB PRO 43 4.415 -12.511 -8.887 31 2HB PRO 43 3HB PRO 43 4.710 -12.101 -10.565 32 1HG PRO 43 2HG PRO 43 6.644 -12.958 -8.500 33 2HG PRO 43 3HG PRO 43 6.828 -12.956 -10.242 34 1HD PRO 43 2HD PRO 43 7.956 -11.074 -8.394 35 2HD PRO 43 3HD PRO 43 8.043 -11.007 -10.143 36 H SER 44 H SER 44 2.529 -10.463 -8.447 37 HA SER 44 HA SER 44 2.894 -9.098 -6.031 38 1HB SER 44 2HB SER 44 0.479 -9.958 -5.620 39 2HB SER 44 3HB SER 44 0.747 -8.895 -6.987 40 HG SER 44 HG SER 44 -0.403 -10.542 -7.891 41 H GLY 45 H GLY 45 4.796 -10.719 -5.466 42 1HA GLY 45 1HA GLY 45 4.040 -12.227 -3.245 43 2HA GLY 45 2HA GLY 45 4.183 -13.332 -4.596 44 H CYS 46 H CYS 46 6.249 -13.557 -5.721 45 HA CYS 46 HA CYS 46 8.415 -13.993 -5.565 46 1HB CYS 46 2HB CYS 46 8.327 -11.730 -6.569 47 2HB CYS 46 3HB CYS 46 8.553 -11.028 -4.980 48 H THR 47 H THR 47 8.703 -15.364 -3.768 49 HA THR 47 HA THR 47 8.514 -14.512 -1.102 50 HB THR 47 HB THR 47 9.986 -16.752 -0.916 51 HG1 THR 47 1HG THR 47 10.564 -17.212 -3.013 52 1HG2 THR 47 1HG2 THR 47 7.988 -18.119 -1.297 53 2HG2 THR 47 2HG2 THR 47 7.464 -16.597 -0.538 54 3HG2 THR 47 3HG2 THR 47 7.251 -16.838 -2.288 55 H LYS 48 H LYS 48 10.875 -13.803 -3.485 56 HA LYS 48 HA LYS 48 13.093 -13.672 -1.688 57 1HB LYS 48 2HB LYS 48 12.570 -13.242 -4.553 58 2HB LYS 48 3HB LYS 48 13.754 -12.140 -3.880 59 1HG LYS 48 2HG LYS 48 14.524 -14.547 -2.730 60 2HG LYS 48 3HG LYS 48 13.925 -15.082 -4.288 61 1HD LYS 48 2HD LYS 48 15.488 -12.718 -4.762 62 2HD LYS 48 3HD LYS 48 16.416 -13.730 -3.675 63 1HE LYS 48 2HE LYS 48 15.106 -14.905 -6.155 64 2HE LYS 48 3HE LYS 48 16.667 -14.117 -6.254 65 1HZ LYS 48 1HZ LYS 48 17.470 -16.063 -5.633 66 2HZ LYS 48 2HZ LYS 48 16.905 -15.763 -4.129 67 3HZ LYS 48 3HZ LYS 48 16.016 -16.651 -5.173 68 H CYS 49 H CYS 49 10.681 -11.459 -3.050 69 HA CYS 49 HA CYS 49 11.824 -9.112 -1.766 70 1HB CYS 49 2HB CYS 49 9.452 -9.758 -3.489 71 2HB CYS 49 3HB CYS 49 9.396 -8.276 -2.502 72 H ALA 50 H ALA 50 10.097 -11.815 -0.603 73 HA ALA 50 HA ALA 50 8.291 -10.477 1.118 74 1HB ALA 50 1HB ALA 50 7.746 -12.703 0.658 75 2HB ALA 50 2HB ALA 50 9.425 -13.262 0.854 76 3HB ALA 50 3HB ALA 50 8.461 -12.824 2.284 77 H SER 51 H SER 51 11.728 -10.846 1.069 78 HA SER 51 HA SER 51 12.009 -10.781 3.905 79 1HB SER 51 2HB SER 51 13.630 -11.602 1.837 80 2HB SER 51 3HB SER 51 14.330 -10.036 2.190 81 HG SER 51 HG SER 51 15.215 -10.851 3.954 82 H GLY 52 H GLY 52 11.215 -8.527 1.478 83 1HA GLY 52 1HA GLY 52 10.659 -6.320 2.466 84 2HA GLY 52 2HA GLY 52 12.303 -6.283 3.074 85 H CYS 53 H CYS 53 11.102 -7.477 -0.128 86 HA CYS 53 HA CYS 53 11.567 -6.880 -2.186 87 1HB CYS 53 2HB CYS 53 10.549 -4.726 -1.465 88 2HB CYS 53 3HB CYS 53 12.151 -4.119 -1.095 89 H VAL 54 H VAL 54 13.383 -7.846 -3.028 90 HA VAL 54 HA VAL 54 15.952 -7.225 -1.824 91 HB VAL 54 HB VAL 54 16.534 -9.291 -2.411 92 1HG1 VAL 54 1HG1 VAL 54 13.716 -9.842 -3.326 93 2HG1 VAL 54 2HG1 VAL 54 14.806 -10.853 -2.347 94 3HG1 VAL 54 3HG1 VAL 54 14.052 -9.407 -1.634 95 1HG2 VAL 54 1HG2 VAL 54 15.378 -8.574 -5.091 96 2HG2 VAL 54 2HG2 VAL 54 17.041 -9.037 -4.654 97 3HG2 VAL 54 3HG2 VAL 54 15.761 -10.273 -4.723 98 H CYS 55 H CYS 55 14.022 -5.800 -3.991 99 HA CYS 55 HA CYS 55 16.056 -5.273 -6.064 100 1HB CYS 55 2HB CYS 55 13.342 -3.964 -5.920 101 2HB CYS 55 3HB CYS 55 14.298 -4.433 -7.347 102 H LYS 56 H LYS 56 15.009 -3.995 -3.001 103 HA LYS 56 HA LYS 56 15.160 -1.291 -3.381 104 1HB LYS 56 2HB LYS 56 14.889 -2.992 -1.242 105 2HB LYS 56 3HB LYS 56 16.456 -2.277 -0.921 106 1HG LYS 56 2HG LYS 56 14.016 -0.598 -1.647 107 2HG LYS 56 3HG LYS 56 14.408 -1.015 0.009 108 1HD LYS 56 2HD LYS 56 15.897 0.689 0.100 109 2HD LYS 56 3HD LYS 56 16.827 -0.042 -1.194 110 1HE LYS 56 2HE LYS 56 16.279 1.819 -2.400 111 2HE LYS 56 3HE LYS 56 14.715 1.059 -2.609 112 1HZ LYS 56 1HZ LYS 56 15.328 2.751 -0.296 113 2HZ LYS 56 2HZ LYS 56 14.705 3.351 -1.681 114 3HZ LYS 56 3HZ LYS 56 13.859 2.258 -0.812 115 H GLY 57 H GLY 57 17.711 -3.729 -3.531 116 1HA GLY 57 1HA GLY 57 19.785 -1.652 -3.519 117 2HA GLY 57 2HA GLY 57 20.021 -3.385 -3.405 118 H LYS 58 H LYS 58 20.190 -4.662 -5.286 119 HA LYS 58 HA LYS 58 20.960 -3.294 -7.618 120 1HB LYS 58 2HB LYS 58 21.138 -5.565 -8.580 121 2HB LYS 58 3HB LYS 58 21.950 -5.410 -7.034 122 1HG LYS 58 2HG LYS 58 19.200 -6.182 -6.548 123 2HG LYS 58 3HG LYS 58 19.865 -7.252 -7.765 124 1HD LYS 58 2HD LYS 58 20.876 -8.398 -6.088 125 2HD LYS 58 3HD LYS 58 21.942 -7.023 -5.876 126 1HE LYS 58 2HE LYS 58 21.043 -6.647 -3.830 127 2HE LYS 58 3HE LYS 58 19.486 -6.339 -4.572 128 1HZ LYS 58 1HZ LYS 58 19.087 -8.114 -3.208 129 2HZ LYS 58 2HZ LYS 58 19.334 -8.874 -4.633 130 3HZ LYS 58 3HZ LYS 58 20.515 -8.848 -3.506 131 H THR 59 H THR 59 19.917 -4.205 -9.845 132 HA THR 59 HA THR 59 17.344 -3.014 -9.926 133 HB THR 59 HB THR 59 19.327 -4.279 -11.801 134 HG1 THR 59 1HG THR 59 19.205 -1.978 -11.425 135 1HG2 THR 59 1HG2 THR 59 17.673 -5.233 -13.091 136 2HG2 THR 59 2HG2 THR 59 16.378 -4.432 -12.170 137 3HG2 THR 59 3HG2 THR 59 17.219 -3.555 -13.470 138 H CYS 60 H CYS 60 17.901 -6.190 -11.455 139 HA CYS 60 HA CYS 60 16.497 -7.739 -9.665 140 1HB CYS 60 2HB CYS 60 14.702 -5.981 -10.566 141 2HB CYS 60 3HB CYS 60 14.594 -7.137 -11.879 142 H ASP 61 H ASP 61 18.352 -8.984 -10.481 143 HA ASP 61 HA ASP 61 17.757 -10.125 -13.094 144 1HB ASP 61 2HB ASP 61 20.202 -10.366 -13.470 145 2HB ASP 61 3HB ASP 61 19.744 -8.684 -13.289 146 H THR 62 H THR 62 19.769 -12.156 -13.037 147 HA THR 62 HA THR 62 18.604 -14.080 -11.382 148 HB THR 62 HB THR 62 20.790 -13.811 -13.342 149 HG1 THR 62 1HG THR 62 19.675 -15.685 -13.957 150 1HG2 THR 62 1HG2 THR 62 22.105 -15.722 -12.641 151 2HG2 THR 62 2HG2 THR 62 22.079 -14.614 -11.248 152 3HG2 THR 62 3HG2 THR 62 21.019 -16.043 -11.268 153 H SER 63 H SER 63 20.712 -11.496 -10.578 154 HA SER 63 HA SER 63 21.585 -12.961 -8.218 155 1HB SER 63 2HB SER 63 23.254 -11.756 -9.817 156 2HB SER 63 3HB SER 63 22.647 -10.264 -9.127 157 HG SER 63 HG SER 63 24.543 -11.859 -8.120 158 H CYS 64 H CYS 64 18.868 -11.665 -8.837 159 HA CYS 64 HA CYS 64 18.841 -9.954 -6.465 160 1HB CYS 64 2HB CYS 64 18.715 -8.638 -8.616 161 2HB CYS 64 3HB CYS 64 17.183 -9.427 -8.935 162 H CYS 65 H CYS 65 16.380 -11.028 -8.822 163 HA CYS 65 HA CYS 65 15.140 -12.723 -6.704 164 1HB CYS 65 2HB CYS 65 13.758 -10.958 -8.769 165 2HB CYS 65 3HB CYS 65 12.944 -12.038 -7.610 166 H GLN 66 H GLN 66 16.193 -12.315 -10.073 167 HA GLN 66 HA GLN 66 14.718 -14.568 -10.967 168 1HB GLN 66 2HB GLN 66 17.135 -13.404 -12.378 169 2HB GLN 66 3HB GLN 66 15.725 -14.167 -13.085 170 1HG GLN 66 2HG GLN 66 15.843 -11.441 -11.721 171 2HG GLN 66 3HG GLN 66 15.543 -11.755 -13.418 172 1HE2 GLN 66 1HE2 GLN 66 13.989 -10.443 -11.207 173 2HE2 GLN 66 2HE2 GLN 66 12.416 -11.168 -11.239 Start of MODEL 7 1 H SER 37 H SER 37 2.209 -4.516 -1.376 2 HA SER 37 HA SER 37 3.936 -6.203 -3.013 3 1HB SER 37 2HB SER 37 3.287 -4.701 -4.951 4 2HB SER 37 3HB SER 37 1.998 -5.728 -4.355 5 HG SER 37 HG SER 37 1.184 -3.898 -3.124 6 H CYS 38 H CYS 38 5.909 -5.212 -3.761 7 HA CYS 38 HA CYS 38 6.518 -2.726 -2.341 8 1HB CYS 38 2HB CYS 38 8.953 -3.628 -2.926 9 2HB CYS 38 3HB CYS 38 8.094 -4.063 -1.462 10 H CYS 39 H CYS 39 7.947 -4.524 -5.089 11 HA CYS 39 HA CYS 39 7.901 -2.026 -6.698 12 1HB CYS 39 2HB CYS 39 9.631 -3.189 -8.061 13 2HB CYS 39 3HB CYS 39 10.110 -3.044 -6.352 14 HA PRO 40 HA PRO 40 4.835 -3.937 -9.141 15 1HB PRO 40 2HB PRO 40 4.684 -2.113 -11.171 16 2HB PRO 40 3HB PRO 40 3.846 -1.920 -9.644 17 1HG PRO 40 2HG PRO 40 6.273 -0.540 -10.613 18 2HG PRO 40 3HG PRO 40 5.192 -0.077 -9.313 19 1HD PRO 40 2HD PRO 40 7.785 -1.273 -9.045 20 2HD PRO 40 3HD PRO 40 6.657 -0.917 -7.753 21 H CYS 41 H CYS 41 7.990 -4.010 -9.684 22 HA CYS 41 HA CYS 41 7.823 -4.910 -12.416 23 1HB CYS 41 2HB CYS 41 9.961 -4.360 -12.510 24 2HB CYS 41 3HB CYS 41 9.804 -3.720 -10.887 25 H CYS 42 H CYS 42 7.810 -6.130 -9.101 26 HA CYS 42 HA CYS 42 8.172 -8.851 -10.105 27 1HB CYS 42 2HB CYS 42 8.597 -7.566 -7.430 28 2HB CYS 42 3HB CYS 42 8.242 -9.280 -7.516 29 HA PRO 43 HA PRO 43 3.957 -9.592 -9.305 30 1HB PRO 43 2HB PRO 43 3.918 -12.265 -8.737 31 2HB PRO 43 3HB PRO 43 4.016 -11.633 -10.369 32 1HG PRO 43 2HG PRO 43 6.147 -12.854 -8.722 33 2HG PRO 43 3HG PRO 43 6.102 -12.612 -10.458 34 1HD PRO 43 2HD PRO 43 7.573 -11.060 -8.547 35 2HD PRO 43 3HD PRO 43 7.435 -10.749 -10.266 36 H SER 44 H SER 44 2.235 -10.269 -7.767 37 HA SER 44 HA SER 44 2.972 -9.245 -5.270 38 1HB SER 44 2HB SER 44 0.655 -9.716 -4.627 39 2HB SER 44 3HB SER 44 0.692 -9.035 -6.241 40 HG SER 44 HG SER 44 0.861 -11.607 -6.716 41 H GLY 45 H GLY 45 4.865 -11.046 -5.323 42 1HA GLY 45 1HA GLY 45 4.230 -12.889 -3.238 43 2HA GLY 45 2HA GLY 45 4.412 -13.703 -4.779 44 H CYS 46 H CYS 46 6.466 -13.710 -5.879 45 HA CYS 46 HA CYS 46 8.654 -14.115 -5.712 46 1HB CYS 46 2HB CYS 46 8.559 -11.926 -6.730 47 2HB CYS 46 3HB CYS 46 8.512 -11.145 -5.161 48 H THR 47 H THR 47 8.816 -15.526 -3.875 49 HA THR 47 HA THR 47 8.636 -14.850 -1.235 50 HB THR 47 HB THR 47 9.672 -17.014 -2.901 51 HG1 THR 47 1HG THR 47 8.840 -16.633 -0.110 52 1HG2 THR 47 1HG2 THR 47 11.216 -17.982 -1.215 53 2HG2 THR 47 2HG2 THR 47 11.878 -16.447 -1.824 54 3HG2 THR 47 3HG2 THR 47 11.088 -16.505 -0.231 55 H LYS 48 H LYS 48 11.085 -13.863 -3.523 56 HA LYS 48 HA LYS 48 13.086 -13.348 -1.566 57 1HB LYS 48 2HB LYS 48 12.732 -13.028 -4.478 58 2HB LYS 48 3HB LYS 48 13.727 -11.791 -3.735 59 1HG LYS 48 2HG LYS 48 14.735 -14.013 -2.483 60 2HG LYS 48 3HG LYS 48 14.232 -14.730 -4.001 61 1HD LYS 48 2HD LYS 48 15.504 -12.290 -4.719 62 2HD LYS 48 3HD LYS 48 16.509 -12.975 -3.457 63 1HE LYS 48 2HE LYS 48 15.555 -14.889 -5.560 64 2HE LYS 48 3HE LYS 48 16.714 -13.685 -6.087 65 1HZ LYS 48 1HZ LYS 48 18.314 -14.612 -4.864 66 2HZ LYS 48 2HZ LYS 48 17.345 -14.962 -3.597 67 3HZ LYS 48 3HZ LYS 48 17.377 -15.949 -4.897 68 H CYS 49 H CYS 49 10.502 -11.530 -3.171 69 HA CYS 49 HA CYS 49 11.192 -9.068 -1.716 70 1HB CYS 49 2HB CYS 49 9.245 -9.849 -3.888 71 2HB CYS 49 3HB CYS 49 9.009 -8.338 -2.975 72 H ALA 50 H ALA 50 9.472 -11.957 -1.061 73 HA ALA 50 HA ALA 50 7.211 -10.863 0.221 74 1HB ALA 50 1HB ALA 50 7.067 -13.128 -0.391 75 2HB ALA 50 2HB ALA 50 8.678 -13.509 0.265 76 3HB ALA 50 3HB ALA 50 7.316 -13.203 1.370 77 H SER 51 H SER 51 10.559 -11.678 1.259 78 HA SER 51 HA SER 51 9.979 -11.130 3.974 79 1HB SER 51 2HB SER 51 12.002 -12.448 2.614 80 2HB SER 51 3HB SER 51 12.812 -10.969 3.095 81 HG SER 51 HG SER 51 11.575 -12.965 4.763 82 H GLY 52 H GLY 52 10.188 -9.158 1.271 83 1HA GLY 52 1HA GLY 52 9.973 -6.750 2.446 84 2HA GLY 52 2HA GLY 52 11.709 -6.987 2.437 85 H CYS 53 H CYS 53 12.885 -6.990 0.455 86 HA CYS 53 HA CYS 53 11.742 -7.162 -2.047 87 1HB CYS 53 2HB CYS 53 10.524 -5.134 -1.544 88 2HB CYS 53 3HB CYS 53 11.999 -4.310 -1.077 89 H VAL 54 H VAL 54 13.605 -8.143 -2.802 90 HA VAL 54 HA VAL 54 16.173 -7.119 -1.973 91 HB VAL 54 HB VAL 54 17.054 -9.082 -2.850 92 1HG1 VAL 54 1HG1 VAL 54 15.950 -9.867 -0.993 93 2HG1 VAL 54 2HG1 VAL 54 14.342 -9.441 -1.629 94 3HG1 VAL 54 3HG1 VAL 54 15.194 -10.876 -2.250 95 1HG2 VAL 54 1HG2 VAL 54 15.013 -8.756 -4.878 96 2HG2 VAL 54 2HG2 VAL 54 16.521 -9.699 -4.927 97 3HG2 VAL 54 3HG2 VAL 54 15.036 -10.430 -4.274 98 H CYS 55 H CYS 55 13.914 -6.158 -4.114 99 HA CYS 55 HA CYS 55 15.541 -5.729 -6.480 100 1HB CYS 55 2HB CYS 55 12.767 -5.442 -5.662 101 2HB CYS 55 3HB CYS 55 13.331 -3.970 -6.490 102 H LYS 56 H LYS 56 15.367 -4.245 -3.358 103 HA LYS 56 HA LYS 56 15.967 -1.606 -4.354 104 1HB LYS 56 2HB LYS 56 14.966 -2.737 -1.933 105 2HB LYS 56 3HB LYS 56 16.448 -1.888 -1.542 106 1HG LYS 56 2HG LYS 56 15.364 -0.025 -3.178 107 2HG LYS 56 3HG LYS 56 13.878 -0.804 -2.674 108 1HD LYS 56 2HD LYS 56 13.969 0.175 -0.627 109 2HD LYS 56 3HD LYS 56 15.601 -0.403 -0.358 110 1HE LYS 56 2HE LYS 56 16.124 1.836 -0.419 111 2HE LYS 56 3HE LYS 56 16.136 1.584 -2.152 112 1HZ LYS 56 1HZ LYS 56 14.203 2.664 -2.385 113 2HZ LYS 56 2HZ LYS 56 13.565 2.137 -0.977 114 3HZ LYS 56 3HZ LYS 56 14.629 3.376 -0.979 115 H GLY 57 H GLY 57 17.943 -1.096 -5.114 116 1HA GLY 57 1HA GLY 57 20.259 -0.820 -4.185 117 2HA GLY 57 2HA GLY 57 20.251 -2.562 -3.989 118 H LYS 58 H LYS 58 19.560 -3.832 -6.101 119 HA LYS 58 HA LYS 58 20.972 -2.545 -8.332 120 1HB LYS 58 2HB LYS 58 21.634 -4.778 -9.040 121 2HB LYS 58 3HB LYS 58 22.179 -4.458 -7.406 122 1HG LYS 58 2HG LYS 58 19.504 -5.621 -7.339 123 2HG LYS 58 3HG LYS 58 20.564 -6.632 -8.302 124 1HD LYS 58 2HD LYS 58 21.684 -7.362 -6.463 125 2HD LYS 58 3HD LYS 58 21.953 -5.726 -5.894 126 1HE LYS 58 2HE LYS 58 19.949 -5.680 -4.640 127 2HE LYS 58 3HE LYS 58 19.192 -6.932 -5.606 128 1HZ LYS 58 1HZ LYS 58 20.390 -7.335 -3.258 129 2HZ LYS 58 2HZ LYS 58 20.110 -8.506 -4.361 130 3HZ LYS 58 3HZ LYS 58 21.574 -7.786 -4.288 131 H THR 59 H THR 59 20.230 -3.923 -10.489 132 HA THR 59 HA THR 59 17.578 -3.059 -10.922 133 HB THR 59 HB THR 59 19.745 -4.540 -12.422 134 HG1 THR 59 1HG THR 59 19.311 -2.623 -13.739 135 1HG2 THR 59 1HG2 THR 59 18.220 -5.657 -13.723 136 2HG2 THR 59 2HG2 THR 59 16.852 -4.863 -12.906 137 3HG2 THR 59 3HG2 THR 59 17.668 -4.055 -14.267 138 H CYS 60 H CYS 60 18.371 -6.355 -11.936 139 HA CYS 60 HA CYS 60 17.076 -7.734 -9.930 140 1HB CYS 60 2HB CYS 60 15.110 -6.370 -10.725 141 2HB CYS 60 3HB CYS 60 15.208 -7.227 -12.250 142 H ASP 61 H ASP 61 18.894 -9.090 -10.465 143 HA ASP 61 HA ASP 61 18.489 -10.525 -12.967 144 1HB ASP 61 2HB ASP 61 20.946 -10.748 -13.184 145 2HB ASP 61 3HB ASP 61 20.466 -9.063 -13.192 146 H THR 62 H THR 62 20.558 -12.473 -12.531 147 HA THR 62 HA THR 62 19.312 -14.247 -10.779 148 HB THR 62 HB THR 62 21.666 -14.099 -12.545 149 HG1 THR 62 1HG THR 62 20.008 -15.528 -13.078 150 1HG2 THR 62 1HG2 THR 62 22.975 -15.858 -11.509 151 2HG2 THR 62 2HG2 THR 62 22.784 -14.597 -10.268 152 3HG2 THR 62 3HG2 THR 62 21.779 -16.065 -10.208 153 H SER 63 H SER 63 21.239 -11.500 -10.073 154 HA SER 63 HA SER 63 21.951 -12.662 -7.503 155 1HB SER 63 2HB SER 63 23.718 -11.548 -9.013 156 2HB SER 63 3HB SER 63 22.933 -10.022 -8.657 157 HG SER 63 HG SER 63 24.301 -10.036 -6.988 158 H CYS 64 H CYS 64 19.242 -11.576 -8.527 159 HA CYS 64 HA CYS 64 18.881 -9.682 -6.327 160 1HB CYS 64 2HB CYS 64 18.916 -8.576 -8.606 161 2HB CYS 64 3HB CYS 64 17.450 -9.460 -8.977 162 H CYS 65 H CYS 65 16.566 -10.852 -8.740 163 HA CYS 65 HA CYS 65 15.235 -12.486 -6.630 164 1HB CYS 65 2HB CYS 65 14.038 -11.009 -9.012 165 2HB CYS 65 3HB CYS 65 13.133 -12.001 -7.841 166 H GLN 66 H GLN 66 16.697 -12.410 -9.854 167 HA GLN 66 HA GLN 66 15.389 -14.803 -10.661 168 1HB GLN 66 2HB GLN 66 17.903 -13.649 -11.911 169 2HB GLN 66 3HB GLN 66 16.650 -14.600 -12.684 170 1HG GLN 66 2HG GLN 66 16.358 -11.752 -11.618 171 2HG GLN 66 3HG GLN 66 16.404 -12.227 -13.304 172 1HE2 GLN 66 1HE2 GLN 66 14.354 -10.802 -11.837 173 2HE2 GLN 66 2HE2 GLN 66 12.880 -11.702 -11.978 Start of MODEL 8 1 H SER 37 H SER 37 1.326 -4.054 -3.707 2 HA SER 37 HA SER 37 3.245 -6.132 -3.232 3 1HB SER 37 2HB SER 37 2.750 -4.219 -5.547 4 2HB SER 37 3HB SER 37 4.113 -5.320 -5.523 5 HG SER 37 HG SER 37 1.827 -5.936 -6.503 6 H CYS 38 H CYS 38 5.661 -5.411 -3.987 7 HA CYS 38 HA CYS 38 6.270 -3.102 -2.304 8 1HB CYS 38 2HB CYS 38 8.625 -4.123 -2.394 9 2HB CYS 38 3HB CYS 38 7.408 -4.876 -1.384 10 H CYS 39 H CYS 39 7.302 -4.841 -5.269 11 HA CYS 39 HA CYS 39 7.803 -2.218 -6.580 12 1HB CYS 39 2HB CYS 39 9.817 -3.211 -7.638 13 2HB CYS 39 3HB CYS 39 9.968 -3.148 -5.864 14 HA PRO 40 HA PRO 40 5.369 -4.150 -9.633 15 1HB PRO 40 2HB PRO 40 5.594 -2.307 -11.638 16 2HB PRO 40 3HB PRO 40 4.463 -2.144 -10.310 17 1HG PRO 40 2HG PRO 40 7.010 -0.714 -10.762 18 2HG PRO 40 3HG PRO 40 5.683 -0.283 -9.704 19 1HD PRO 40 2HD PRO 40 8.192 -1.438 -8.928 20 2HD PRO 40 3HD PRO 40 6.820 -1.114 -7.887 21 H CYS 41 H CYS 41 8.582 -4.130 -9.549 22 HA CYS 41 HA CYS 41 8.920 -5.096 -12.256 23 1HB CYS 41 2HB CYS 41 11.011 -4.405 -12.060 24 2HB CYS 41 3HB CYS 41 10.546 -3.674 -10.537 25 H CYS 42 H CYS 42 7.789 -6.264 -9.322 26 HA CYS 42 HA CYS 42 8.649 -8.966 -10.026 27 1HB CYS 42 2HB CYS 42 8.810 -7.627 -7.348 28 2HB CYS 42 3HB CYS 42 8.514 -9.352 -7.441 29 HA PRO 43 HA PRO 43 4.399 -9.783 -9.539 30 1HB PRO 43 2HB PRO 43 4.352 -12.409 -8.782 31 2HB PRO 43 3HB PRO 43 4.595 -11.894 -10.440 32 1HG PRO 43 2HG PRO 43 6.578 -12.942 -8.513 33 2HG PRO 43 3HG PRO 43 6.697 -12.826 -10.258 34 1HD PRO 43 2HD PRO 43 7.950 -11.107 -8.335 35 2HD PRO 43 3HD PRO 43 7.974 -10.923 -10.078 36 H SER 44 H SER 44 2.549 -10.390 -8.125 37 HA SER 44 HA SER 44 3.020 -9.170 -5.654 38 1HB SER 44 2HB SER 44 0.620 -10.086 -5.195 39 2HB SER 44 3HB SER 44 0.832 -8.906 -6.472 40 HG SER 44 HG SER 44 0.251 -10.356 -7.948 41 H GLY 45 H GLY 45 4.939 -10.805 -5.244 42 1HA GLY 45 1HA GLY 45 4.260 -12.451 -3.093 43 2HA GLY 45 2HA GLY 45 4.380 -13.470 -4.515 44 H CYS 46 H CYS 46 6.418 -13.570 -5.721 45 HA CYS 46 HA CYS 46 8.593 -14.003 -5.634 46 1HB CYS 46 2HB CYS 46 8.405 -11.662 -6.492 47 2HB CYS 46 3HB CYS 46 8.761 -11.079 -4.878 48 H THR 47 H THR 47 8.856 -15.464 -3.883 49 HA THR 47 HA THR 47 8.717 -14.826 -1.199 50 HB THR 47 HB THR 47 10.007 -16.967 -0.951 51 HG1 THR 47 1HG THR 47 11.425 -17.270 -2.621 52 1HG2 THR 47 1HG2 THR 47 7.563 -16.669 -2.398 53 2HG2 THR 47 2HG2 THR 47 8.557 -17.802 -3.346 54 3HG2 THR 47 3HG2 THR 47 8.183 -18.157 -1.643 55 H LYS 48 H LYS 48 11.094 -13.871 -3.539 56 HA LYS 48 HA LYS 48 13.229 -13.585 -1.673 57 1HB LYS 48 2HB LYS 48 12.748 -13.117 -4.540 58 2HB LYS 48 3HB LYS 48 13.826 -11.948 -3.804 59 1HG LYS 48 2HG LYS 48 14.725 -14.346 -2.703 60 2HG LYS 48 3HG LYS 48 14.247 -14.839 -4.316 61 1HD LYS 48 2HD LYS 48 15.597 -12.440 -4.796 62 2HD LYS 48 3HD LYS 48 16.509 -13.126 -3.465 63 1HE LYS 48 2HE LYS 48 15.782 -15.047 -5.642 64 2HE LYS 48 3HE LYS 48 16.913 -13.789 -6.099 65 1HZ LYS 48 1HZ LYS 48 17.247 -15.931 -4.198 66 2HZ LYS 48 2HZ LYS 48 18.334 -15.266 -5.218 67 3HZ LYS 48 3HZ LYS 48 17.962 -14.514 -3.818 68 H CYS 49 H CYS 49 10.662 -11.554 -3.022 69 HA CYS 49 HA CYS 49 11.577 -9.209 -1.499 70 1HB CYS 49 2HB CYS 49 9.453 -9.769 -3.574 71 2HB CYS 49 3HB CYS 49 9.379 -8.288 -2.585 72 H ALA 50 H ALA 50 9.720 -12.029 -0.894 73 HA ALA 50 HA ALA 50 7.544 -11.022 0.489 74 1HB ALA 50 1HB ALA 50 7.942 -13.287 1.802 75 2HB ALA 50 2HB ALA 50 7.474 -13.309 0.086 76 3HB ALA 50 3HB ALA 50 9.176 -13.551 0.547 77 H SER 51 H SER 51 10.987 -11.330 1.381 78 HA SER 51 HA SER 51 10.475 -10.800 4.119 79 1HB SER 51 2HB SER 51 12.595 -11.855 2.681 80 2HB SER 51 3HB SER 51 13.203 -10.259 3.075 81 HG SER 51 HG SER 51 13.287 -12.328 4.662 82 H GLY 52 H GLY 52 10.269 -8.912 1.348 83 1HA GLY 52 1HA GLY 52 9.667 -6.543 2.314 84 2HA GLY 52 2HA GLY 52 11.407 -6.488 2.525 85 H CYS 53 H CYS 53 12.821 -6.750 0.604 86 HA CYS 53 HA CYS 53 11.820 -6.937 -1.971 87 1HB CYS 53 2HB CYS 53 10.784 -4.727 -1.338 88 2HB CYS 53 3HB CYS 53 12.405 -4.067 -1.227 89 H VAL 54 H VAL 54 13.634 -7.902 -2.816 90 HA VAL 54 HA VAL 54 16.218 -7.211 -1.723 91 HB VAL 54 HB VAL 54 16.876 -9.226 -2.459 92 1HG1 VAL 54 1HG1 VAL 54 15.206 -10.861 -2.226 93 2HG1 VAL 54 2HG1 VAL 54 14.570 -9.462 -1.328 94 3HG1 VAL 54 3HG1 VAL 54 13.958 -9.825 -2.959 95 1HG2 VAL 54 1HG2 VAL 54 15.326 -8.582 -4.957 96 2HG2 VAL 54 2HG2 VAL 54 17.060 -8.929 -4.755 97 3HG2 VAL 54 3HG2 VAL 54 15.870 -10.247 -4.645 98 H CYS 55 H CYS 55 14.189 -5.874 -3.918 99 HA CYS 55 HA CYS 55 16.190 -5.244 -5.980 100 1HB CYS 55 2HB CYS 55 13.403 -4.084 -5.737 101 2HB CYS 55 3HB CYS 55 14.383 -4.342 -7.202 102 H LYS 56 H LYS 56 15.772 -4.215 -2.856 103 HA LYS 56 HA LYS 56 15.389 -1.579 -2.766 104 1HB LYS 56 2HB LYS 56 16.562 -3.493 -1.128 105 2HB LYS 56 3HB LYS 56 17.838 -2.313 -1.338 106 1HG LYS 56 2HG LYS 56 16.798 -1.059 0.245 107 2HG LYS 56 3HG LYS 56 15.566 -0.715 -0.954 108 1HD LYS 56 2HD LYS 56 14.117 -2.423 -0.150 109 2HD LYS 56 3HD LYS 56 15.412 -3.274 0.666 110 1HE LYS 56 2HE LYS 56 15.433 -0.726 1.868 111 2HE LYS 56 3HE LYS 56 13.728 -1.061 1.641 112 1HZ LYS 56 1HZ LYS 56 14.012 -3.131 2.778 113 2HZ LYS 56 2HZ LYS 56 15.624 -2.908 2.918 114 3HZ LYS 56 3HZ LYS 56 14.591 -1.930 3.720 115 H GLY 57 H GLY 57 18.838 -2.629 -2.942 116 1HA GLY 57 1HA GLY 57 19.305 -0.358 -4.770 117 2HA GLY 57 2HA GLY 57 20.468 -1.039 -3.651 118 H LYS 58 H LYS 58 18.253 -2.354 -6.230 119 HA LYS 58 HA LYS 58 20.423 -3.145 -7.858 120 1HB LYS 58 2HB LYS 58 19.873 -5.654 -7.630 121 2HB LYS 58 3HB LYS 58 20.922 -4.912 -6.438 122 1HG LYS 58 2HG LYS 58 18.096 -4.658 -5.668 123 2HG LYS 58 3HG LYS 58 18.532 -6.335 -5.933 124 1HD LYS 58 2HD LYS 58 20.439 -4.631 -4.336 125 2HD LYS 58 3HD LYS 58 18.942 -5.114 -3.565 126 1HE LYS 58 2HE LYS 58 19.437 -7.466 -3.842 127 2HE LYS 58 3HE LYS 58 20.742 -7.136 -4.964 128 1HZ LYS 58 1HZ LYS 58 22.117 -6.567 -3.297 129 2HZ LYS 58 2HZ LYS 58 20.951 -5.936 -2.346 130 3HZ LYS 58 3HZ LYS 58 21.152 -7.554 -2.426 131 H THR 59 H THR 59 19.566 -4.481 -9.776 132 HA THR 59 HA THR 59 17.053 -3.289 -10.549 133 HB THR 59 HB THR 59 19.233 -4.944 -11.897 134 HG1 THR 59 1HG THR 59 19.677 -2.870 -12.642 135 1HG2 THR 59 1HG2 THR 59 17.910 -4.221 -14.031 136 2HG2 THR 59 2HG2 THR 59 17.301 -5.640 -13.147 137 3HG2 THR 59 3HG2 THR 59 16.508 -4.059 -12.947 138 H CYS 60 H CYS 60 17.860 -6.554 -11.626 139 HA CYS 60 HA CYS 60 16.416 -8.046 -9.860 140 1HB CYS 60 2HB CYS 60 14.626 -6.345 -11.051 141 2HB CYS 60 3HB CYS 60 14.504 -7.761 -12.076 142 H ASP 61 H ASP 61 18.492 -9.044 -10.736 143 HA ASP 61 HA ASP 61 17.938 -10.352 -13.283 144 1HB ASP 61 2HB ASP 61 20.410 -10.566 -13.531 145 2HB ASP 61 3HB ASP 61 19.903 -8.892 -13.434 146 H THR 62 H THR 62 19.924 -12.370 -13.143 147 HA THR 62 HA THR 62 18.737 -14.259 -11.453 148 HB THR 62 HB THR 62 20.976 -14.036 -13.386 149 HG1 THR 62 1HG THR 62 19.990 -16.260 -13.709 150 1HG2 THR 62 1HG2 THR 62 21.010 -16.280 -11.307 151 2HG2 THR 62 2HG2 THR 62 22.126 -16.068 -12.677 152 3HG2 THR 62 3HG2 THR 62 22.177 -14.937 -11.304 153 H SER 63 H SER 63 20.869 -11.675 -10.711 154 HA SER 63 HA SER 63 21.727 -13.096 -8.318 155 1HB SER 63 2HB SER 63 23.423 -11.980 -9.945 156 2HB SER 63 3HB SER 63 22.842 -10.451 -9.315 157 HG SER 63 HG SER 63 24.295 -12.528 -7.979 158 H CYS 64 H CYS 64 19.038 -11.760 -8.970 159 HA CYS 64 HA CYS 64 19.059 -9.961 -6.662 160 1HB CYS 64 2HB CYS 64 18.911 -8.710 -8.823 161 2HB CYS 64 3HB CYS 64 17.408 -9.545 -9.161 162 H CYS 65 H CYS 65 16.571 -11.159 -8.933 163 HA CYS 65 HA CYS 65 15.359 -12.746 -6.721 164 1HB CYS 65 2HB CYS 65 13.965 -11.001 -8.793 165 2HB CYS 65 3HB CYS 65 13.140 -12.089 -7.648 166 H GLN 66 H GLN 66 16.360 -12.476 -10.112 167 HA GLN 66 HA GLN 66 14.844 -14.757 -10.883 168 1HB GLN 66 2HB GLN 66 17.193 -13.762 -12.484 169 2HB GLN 66 3HB GLN 66 15.640 -14.349 -13.045 170 1HG GLN 66 2HG GLN 66 16.273 -11.641 -11.807 171 2HG GLN 66 3HG GLN 66 15.632 -11.967 -13.405 172 1HE2 GLN 66 1HE2 GLN 66 13.628 -13.649 -13.109 173 2HE2 GLN 66 2HE2 GLN 66 12.365 -13.029 -12.098 Start of MODEL 9 1 H SER 37 H SER 37 1.948 -2.506 -4.175 2 HA SER 37 HA SER 37 2.204 -5.227 -4.395 3 1HB SER 37 2HB SER 37 2.086 -4.182 -6.950 4 2HB SER 37 3HB SER 37 3.816 -4.177 -6.665 5 HG SER 37 HG SER 37 2.519 -6.544 -5.862 6 H CYS 38 H CYS 38 4.698 -5.843 -4.423 7 HA CYS 38 HA CYS 38 5.933 -4.091 -2.556 8 1HB CYS 38 2HB CYS 38 6.122 -6.503 -2.335 9 2HB CYS 38 3HB CYS 38 6.915 -6.621 -3.893 10 H CYS 39 H CYS 39 6.259 -5.005 -5.965 11 HA CYS 39 HA CYS 39 7.562 -2.532 -6.657 12 1HB CYS 39 2HB CYS 39 9.632 -3.773 -7.584 13 2HB CYS 39 3HB CYS 39 9.578 -3.471 -5.830 14 HA PRO 40 HA PRO 40 5.702 -3.886 -10.347 15 1HB PRO 40 2HB PRO 40 6.570 -1.957 -12.078 16 2HB PRO 40 3HB PRO 40 5.209 -1.732 -10.996 17 1HG PRO 40 2HG PRO 40 7.947 -0.638 -10.781 18 2HG PRO 40 3HG PRO 40 6.485 -0.103 -9.976 19 1HD PRO 40 2HD PRO 40 8.612 -1.645 -8.824 20 2HD PRO 40 3HD PRO 40 7.098 -1.208 -8.056 21 H CYS 41 H CYS 41 8.569 -4.675 -9.520 22 HA CYS 41 HA CYS 41 9.240 -5.624 -12.211 23 1HB CYS 41 2HB CYS 41 11.588 -5.597 -11.584 24 2HB CYS 41 3HB CYS 41 10.879 -3.997 -11.496 25 H CYS 42 H CYS 42 7.537 -6.621 -9.790 26 HA CYS 42 HA CYS 42 8.492 -9.304 -9.931 27 1HB CYS 42 2HB CYS 42 8.664 -7.792 -7.326 28 2HB CYS 42 3HB CYS 42 8.517 -9.538 -7.390 29 HA PRO 43 HA PRO 43 4.218 -9.830 -9.283 30 1HB PRO 43 2HB PRO 43 4.053 -12.385 -8.326 31 2HB PRO 43 3HB PRO 43 4.272 -12.010 -10.024 32 1HG PRO 43 2HG PRO 43 6.255 -13.019 -8.078 33 2HG PRO 43 3HG PRO 43 6.325 -13.042 -9.829 34 1HD PRO 43 2HD PRO 43 7.729 -11.255 -8.078 35 2HD PRO 43 3HD PRO 43 7.707 -11.205 -9.829 36 H SER 44 H SER 44 2.387 -10.325 -7.754 37 HA SER 44 HA SER 44 2.981 -8.904 -5.411 38 1HB SER 44 2HB SER 44 0.562 -9.758 -4.814 39 2HB SER 44 3HB SER 44 0.776 -8.609 -6.119 40 HG SER 44 HG SER 44 -0.609 -10.581 -6.540 41 H GLY 45 H GLY 45 4.860 -10.720 -5.111 42 1HA GLY 45 1HA GLY 45 4.218 -12.116 -2.747 43 2HA GLY 45 2HA GLY 45 4.222 -13.238 -4.092 44 H CYS 46 H CYS 46 6.187 -13.634 -5.294 45 HA CYS 46 HA CYS 46 8.344 -14.053 -5.395 46 1HB CYS 46 2HB CYS 46 8.330 -11.741 -6.221 47 2HB CYS 46 3HB CYS 46 8.602 -11.146 -4.595 48 H THR 47 H THR 47 8.977 -15.539 -3.843 49 HA THR 47 HA THR 47 8.820 -15.071 -1.082 50 HB THR 47 HB THR 47 10.670 -17.123 -1.460 51 HG1 THR 47 1HG THR 47 10.550 -17.531 -3.630 52 1HG2 THR 47 1HG2 THR 47 8.751 -18.662 -1.433 53 2HG2 THR 47 2HG2 THR 47 8.394 -17.305 -0.336 54 3HG2 THR 47 3HG2 THR 47 7.656 -17.358 -1.954 55 H LYS 48 H LYS 48 11.031 -13.871 -3.430 56 HA LYS 48 HA LYS 48 13.246 -13.693 -1.611 57 1HB LYS 48 2HB LYS 48 12.710 -13.136 -4.460 58 2HB LYS 48 3HB LYS 48 13.825 -12.017 -3.703 59 1HG LYS 48 2HG LYS 48 14.730 -14.435 -2.699 60 2HG LYS 48 3HG LYS 48 14.160 -14.917 -4.285 61 1HD LYS 48 2HD LYS 48 15.512 -12.592 -4.909 62 2HD LYS 48 3HD LYS 48 16.456 -13.163 -3.548 63 1HE LYS 48 2HE LYS 48 15.702 -15.124 -5.727 64 2HE LYS 48 3HE LYS 48 17.007 -13.993 -6.022 65 1HZ LYS 48 1HZ LYS 48 17.934 -14.784 -3.856 66 2HZ LYS 48 2HZ LYS 48 16.838 -15.994 -3.890 67 3HZ LYS 48 3HZ LYS 48 17.960 -15.875 -5.071 68 H CYS 49 H CYS 49 10.700 -11.601 -2.935 69 HA CYS 49 HA CYS 49 11.621 -9.279 -1.414 70 1HB CYS 49 2HB CYS 49 9.376 -9.884 -3.344 71 2HB CYS 49 3HB CYS 49 9.335 -8.406 -2.351 72 H ALA 50 H ALA 50 9.933 -12.139 -0.637 73 HA ALA 50 HA ALA 50 7.811 -11.167 0.876 74 1HB ALA 50 1HB ALA 50 8.780 -13.616 0.156 75 2HB ALA 50 2HB ALA 50 9.249 -13.568 1.872 76 3HB ALA 50 3HB ALA 50 7.543 -13.365 1.410 77 H SER 51 H SER 51 11.308 -11.545 1.582 78 HA SER 51 HA SER 51 10.977 -10.978 4.326 79 1HB SER 51 2HB SER 51 12.996 -12.036 2.768 80 2HB SER 51 3HB SER 51 13.625 -10.431 3.085 81 HG SER 51 HG SER 51 13.113 -12.570 4.890 82 H GLY 52 H GLY 52 10.614 -9.086 1.563 83 1HA GLY 52 1HA GLY 52 10.055 -6.719 2.573 84 2HA GLY 52 2HA GLY 52 11.803 -6.660 2.678 85 H CYS 53 H CYS 53 13.099 -6.925 0.671 86 HA CYS 53 HA CYS 53 11.948 -7.111 -1.838 87 1HB CYS 53 2HB CYS 53 10.902 -4.940 -1.221 88 2HB CYS 53 3HB CYS 53 12.500 -4.241 -1.055 89 H VAL 54 H VAL 54 13.729 -8.142 -2.686 90 HA VAL 54 HA VAL 54 16.362 -7.366 -1.798 91 HB VAL 54 HB VAL 54 17.027 -9.389 -2.544 92 1HG1 VAL 54 1HG1 VAL 54 14.828 -9.572 -1.159 93 2HG1 VAL 54 2HG1 VAL 54 14.110 -10.128 -2.690 94 3HG1 VAL 54 3HG1 VAL 54 15.470 -11.022 -1.969 95 1HG2 VAL 54 1HG2 VAL 54 16.976 -9.383 -4.823 96 2HG2 VAL 54 2HG2 VAL 54 15.620 -10.502 -4.541 97 3HG2 VAL 54 3HG2 VAL 54 15.300 -8.788 -4.897 98 H CYS 55 H CYS 55 14.223 -6.046 -3.835 99 HA CYS 55 HA CYS 55 15.984 -5.572 -6.131 100 1HB CYS 55 2HB CYS 55 13.371 -4.158 -5.558 101 2HB CYS 55 3HB CYS 55 14.106 -4.566 -7.128 102 H LYS 56 H LYS 56 15.568 -4.269 -2.955 103 HA LYS 56 HA LYS 56 15.998 -1.546 -3.620 104 1HB LYS 56 2HB LYS 56 15.335 -3.046 -1.329 105 2HB LYS 56 3HB LYS 56 16.862 -2.271 -0.951 106 1HG LYS 56 2HG LYS 56 15.990 -0.103 -1.192 107 2HG LYS 56 3HG LYS 56 14.734 -0.612 -2.303 108 1HD LYS 56 2HD LYS 56 13.365 -0.438 -0.473 109 2HD LYS 56 3HD LYS 56 13.987 -2.028 -0.077 110 1HE LYS 56 2HE LYS 56 15.914 -0.773 1.158 111 2HE LYS 56 3HE LYS 56 14.915 0.659 1.011 112 1HZ LYS 56 1HZ LYS 56 14.437 -1.739 2.562 113 2HZ LYS 56 2HZ LYS 56 14.182 -0.176 2.960 114 3HZ LYS 56 3HZ LYS 56 13.133 -0.949 1.976 115 H GLY 57 H GLY 57 17.820 -0.641 -4.394 116 1HA GLY 57 1HA GLY 57 20.110 -0.144 -4.133 117 2HA GLY 57 2HA GLY 57 20.396 -1.758 -3.515 118 H LYS 58 H LYS 58 19.223 -3.464 -5.335 119 HA LYS 58 HA LYS 58 20.789 -2.876 -7.737 120 1HB LYS 58 2HB LYS 58 20.886 -5.256 -8.085 121 2HB LYS 58 3HB LYS 58 21.390 -4.899 -6.447 122 1HG LYS 58 2HG LYS 58 18.860 -5.313 -5.823 123 2HG LYS 58 3HG LYS 58 18.766 -6.101 -7.386 124 1HD LYS 58 2HD LYS 58 19.303 -7.868 -5.890 125 2HD LYS 58 3HD LYS 58 20.836 -7.482 -6.648 126 1HE LYS 58 2HE LYS 58 21.175 -5.840 -4.617 127 2HE LYS 58 3HE LYS 58 19.883 -6.749 -3.857 128 1HZ LYS 58 1HZ LYS 58 21.522 -8.652 -4.842 129 2HZ LYS 58 2HZ LYS 58 22.570 -7.514 -4.318 130 3HZ LYS 58 3HZ LYS 58 21.474 -8.151 -3.288 131 H THR 59 H THR 59 19.693 -4.270 -9.711 132 HA THR 59 HA THR 59 17.144 -2.939 -10.073 133 HB THR 59 HB THR 59 19.216 -4.341 -11.785 134 HG1 THR 59 1HG THR 59 17.628 -1.870 -11.756 135 1HG2 THR 59 1HG2 THR 59 17.618 -5.086 -13.247 136 2HG2 THR 59 2HG2 THR 59 16.315 -4.350 -12.281 137 3HG2 THR 59 3HG2 THR 59 17.179 -3.379 -13.498 138 H CYS 60 H CYS 60 17.786 -6.098 -11.530 139 HA CYS 60 HA CYS 60 16.445 -7.689 -9.727 140 1HB CYS 60 2HB CYS 60 14.617 -5.940 -10.750 141 2HB CYS 60 3HB CYS 60 14.469 -7.274 -11.877 142 H ASP 61 H ASP 61 18.473 -8.674 -10.697 143 HA ASP 61 HA ASP 61 17.848 -9.851 -13.292 144 1HB ASP 61 2HB ASP 61 20.292 -10.059 -13.637 145 2HB ASP 61 3HB ASP 61 19.838 -8.388 -13.367 146 H THR 62 H THR 62 19.849 -11.883 -13.267 147 HA THR 62 HA THR 62 18.663 -13.892 -11.775 148 HB THR 62 HB THR 62 21.022 -13.464 -13.500 149 HG1 THR 62 1HG THR 62 18.930 -14.640 -13.870 150 1HG2 THR 62 1HG2 THR 62 21.078 -15.740 -11.451 151 2HG2 THR 62 2HG2 THR 62 22.226 -15.490 -12.788 152 3HG2 THR 62 3HG2 THR 62 22.190 -14.350 -11.422 153 H SER 63 H SER 63 20.789 -11.349 -10.733 154 HA SER 63 HA SER 63 21.500 -12.882 -8.382 155 1HB SER 63 2HB SER 63 23.177 -11.450 -9.732 156 2HB SER 63 3HB SER 63 22.371 -10.047 -9.060 157 HG SER 63 HG SER 63 23.549 -10.311 -7.302 158 H CYS 64 H CYS 64 18.819 -11.354 -9.338 159 HA CYS 64 HA CYS 64 18.210 -10.489 -6.650 160 1HB CYS 64 2HB CYS 64 19.060 -8.458 -7.794 161 2HB CYS 64 3HB CYS 64 17.805 -8.632 -9.005 162 H CYS 65 H CYS 65 16.723 -12.101 -6.444 163 HA CYS 65 HA CYS 65 14.672 -13.115 -6.624 164 1HB CYS 65 2HB CYS 65 14.040 -11.051 -8.769 165 2HB CYS 65 3HB CYS 65 12.883 -12.011 -7.813 166 H GLN 66 H GLN 66 15.829 -12.047 -9.933 167 HA GLN 66 HA GLN 66 14.790 -14.305 -11.169 168 1HB GLN 66 2HB GLN 66 17.228 -12.835 -12.204 169 2HB GLN 66 3HB GLN 66 15.911 -13.543 -13.117 170 1HG GLN 66 2HG GLN 66 15.902 -10.982 -11.485 171 2HG GLN 66 3HG GLN 66 15.500 -11.191 -13.178 172 1HE2 GLN 66 1HE2 GLN 66 14.101 -10.199 -10.638 173 2HE2 GLN 66 2HE2 GLN 66 12.539 -10.949 -10.670 Start of MODEL 10 1 H SER 37 H SER 37 1.567 -4.798 -2.453 2 HA SER 37 HA SER 37 2.510 -4.954 -5.175 3 1HB SER 37 2HB SER 37 1.092 -2.870 -4.994 4 2HB SER 37 3HB SER 37 2.167 -2.284 -3.741 5 HG SER 37 HG SER 37 2.601 -1.533 -6.008 6 H CYS 38 H CYS 38 4.830 -4.004 -5.310 7 HA CYS 38 HA CYS 38 6.205 -3.597 -2.869 8 1HB CYS 38 2HB CYS 38 5.898 -6.048 -2.757 9 2HB CYS 38 3HB CYS 38 6.732 -6.216 -4.289 10 H CYS 39 H CYS 39 6.279 -4.671 -6.269 11 HA CYS 39 HA CYS 39 7.807 -2.405 -7.140 12 1HB CYS 39 2HB CYS 39 9.788 -3.839 -7.932 13 2HB CYS 39 3HB CYS 39 9.727 -3.458 -6.192 14 HA PRO 40 HA PRO 40 5.820 -3.922 -10.703 15 1HB PRO 40 2HB PRO 40 6.743 -2.142 -12.559 16 2HB PRO 40 3HB PRO 40 5.402 -1.797 -11.485 17 1HG PRO 40 2HG PRO 40 8.181 -0.796 -11.359 18 2HG PRO 40 3HG PRO 40 6.747 -0.157 -10.581 19 1HD PRO 40 2HD PRO 40 8.825 -1.700 -9.347 20 2HD PRO 40 3HD PRO 40 7.337 -1.159 -8.599 21 H CYS 41 H CYS 41 8.665 -4.763 -9.846 22 HA CYS 41 HA CYS 41 9.298 -5.878 -12.483 23 1HB CYS 41 2HB CYS 41 11.648 -6.002 -11.727 24 2HB CYS 41 3HB CYS 41 11.040 -4.367 -11.896 25 H CYS 42 H CYS 42 7.590 -6.625 -9.907 26 HA CYS 42 HA CYS 42 8.330 -9.386 -9.997 27 1HB CYS 42 2HB CYS 42 8.636 -7.829 -7.425 28 2HB CYS 42 3HB CYS 42 8.473 -9.573 -7.488 29 HA PRO 43 HA PRO 43 4.048 -9.554 -9.224 30 1HB PRO 43 2HB PRO 43 3.718 -12.083 -8.242 31 2HB PRO 43 3HB PRO 43 3.906 -11.735 -9.949 32 1HG PRO 43 2HG PRO 43 5.872 -12.886 -8.065 33 2HG PRO 43 3HG PRO 43 5.879 -12.923 -9.817 34 1HD PRO 43 2HD PRO 43 7.478 -11.242 -8.130 35 2HD PRO 43 3HD PRO 43 7.399 -11.199 -9.880 36 H SER 44 H SER 44 2.290 -10.347 -7.505 37 HA SER 44 HA SER 44 3.024 -8.792 -5.235 38 1HB SER 44 2HB SER 44 0.464 -10.397 -5.533 39 2HB SER 44 3HB SER 44 0.714 -8.922 -4.621 40 HG SER 44 HG SER 44 0.647 -9.229 -7.495 41 H GLY 45 H GLY 45 4.812 -10.826 -5.199 42 1HA GLY 45 1HA GLY 45 4.179 -12.208 -2.765 43 2HA GLY 45 2HA GLY 45 4.205 -13.276 -4.154 44 H CYS 46 H CYS 46 6.183 -13.634 -5.334 45 HA CYS 46 HA CYS 46 8.341 -14.116 -5.323 46 1HB CYS 46 2HB CYS 46 8.279 -11.882 -6.363 47 2HB CYS 46 3HB CYS 46 8.581 -11.145 -4.803 48 H THR 47 H THR 47 8.658 -15.476 -3.512 49 HA THR 47 HA THR 47 8.594 -14.739 -0.866 50 HB THR 47 HB THR 47 9.451 -16.981 -2.531 51 HG1 THR 47 1HG THR 47 7.710 -16.791 -0.878 52 1HG2 THR 47 1HG2 THR 47 11.729 -16.618 -1.649 53 2HG2 THR 47 2HG2 THR 47 11.081 -16.361 -0.011 54 3HG2 THR 47 3HG2 THR 47 10.980 -17.970 -0.765 55 H LYS 48 H LYS 48 10.959 -13.896 -3.291 56 HA LYS 48 HA LYS 48 13.091 -13.449 -1.468 57 1HB LYS 48 2HB LYS 48 12.577 -13.180 -4.342 58 2HB LYS 48 3HB LYS 48 13.579 -11.890 -3.710 59 1HG LYS 48 2HG LYS 48 14.690 -14.081 -2.442 60 2HG LYS 48 3HG LYS 48 14.170 -14.801 -3.953 61 1HD LYS 48 2HD LYS 48 15.321 -12.408 -4.807 62 2HD LYS 48 3HD LYS 48 16.338 -12.843 -3.447 63 1HE LYS 48 2HE LYS 48 15.844 -15.244 -4.975 64 2HE LYS 48 3HE LYS 48 16.314 -13.985 -6.100 65 1HZ LYS 48 1HZ LYS 48 18.122 -13.545 -4.338 66 2HZ LYS 48 2HZ LYS 48 17.820 -15.079 -3.869 67 3HZ LYS 48 3HZ LYS 48 18.311 -14.774 -5.397 68 H CYS 49 H CYS 49 10.488 -11.519 -2.907 69 HA CYS 49 HA CYS 49 11.369 -9.084 -1.524 70 1HB CYS 49 2HB CYS 49 9.199 -9.822 -3.490 71 2HB CYS 49 3HB CYS 49 9.097 -8.296 -2.575 72 H ALA 50 H ALA 50 9.645 -11.913 -0.667 73 HA ALA 50 HA ALA 50 7.602 -10.659 0.869 74 1HB ALA 50 1HB ALA 50 7.161 -12.862 0.130 75 2HB ALA 50 2HB ALA 50 8.759 -13.451 0.646 76 3HB ALA 50 3HB ALA 50 7.523 -13.050 1.862 77 H SER 51 H SER 51 10.890 -12.011 1.506 78 HA SER 51 HA SER 51 10.649 -11.349 4.275 79 1HB SER 51 2HB SER 51 12.157 -13.180 2.811 80 2HB SER 51 3HB SER 51 13.352 -11.972 3.240 81 HG SER 51 HG SER 51 11.837 -12.438 5.445 82 H GLY 52 H GLY 52 11.024 -9.509 1.556 83 1HA GLY 52 1HA GLY 52 11.466 -7.116 2.359 84 2HA GLY 52 2HA GLY 52 13.071 -7.728 2.706 85 H CYS 53 H CYS 53 11.374 -6.006 0.462 86 HA CYS 53 HA CYS 53 11.795 -7.052 -1.983 87 1HB CYS 53 2HB CYS 53 10.691 -4.890 -1.463 88 2HB CYS 53 3HB CYS 53 12.266 -4.162 -1.217 89 H VAL 54 H VAL 54 13.627 -8.059 -2.747 90 HA VAL 54 HA VAL 54 16.206 -7.233 -1.747 91 HB VAL 54 HB VAL 54 17.011 -9.209 -2.670 92 1HG1 VAL 54 1HG1 VAL 54 15.596 -9.747 -0.821 93 2HG1 VAL 54 2HG1 VAL 54 14.131 -9.641 -1.827 94 3HG1 VAL 54 3HG1 VAL 54 15.291 -10.966 -2.082 95 1HG2 VAL 54 1HG2 VAL 54 16.545 -9.678 -4.803 96 2HG2 VAL 54 2HG2 VAL 54 15.012 -10.387 -4.244 97 3HG2 VAL 54 3HG2 VAL 54 15.068 -8.685 -4.764 98 H CYS 55 H CYS 55 14.138 -5.997 -3.914 99 HA CYS 55 HA CYS 55 15.981 -5.545 -6.143 100 1HB CYS 55 2HB CYS 55 13.369 -4.093 -5.706 101 2HB CYS 55 3HB CYS 55 14.137 -4.598 -7.231 102 H LYS 56 H LYS 56 15.483 -4.197 -3.004 103 HA LYS 56 HA LYS 56 15.912 -1.482 -3.691 104 1HB LYS 56 2HB LYS 56 15.224 -2.961 -1.395 105 2HB LYS 56 3HB LYS 56 16.739 -2.174 -1.001 106 1HG LYS 56 2HG LYS 56 15.346 -0.150 -2.326 107 2HG LYS 56 3HG LYS 56 14.065 -0.984 -1.468 108 1HD LYS 56 2HD LYS 56 15.001 -0.538 0.656 109 2HD LYS 56 3HD LYS 56 16.619 -0.327 0.015 110 1HE LYS 56 2HE LYS 56 14.494 1.603 -0.908 111 2HE LYS 56 3HE LYS 56 15.087 1.774 0.732 112 1HZ LYS 56 1HZ LYS 56 16.584 1.992 -1.761 113 2HZ LYS 56 2HZ LYS 56 16.525 3.034 -0.504 114 3HZ LYS 56 3HZ LYS 56 17.364 1.640 -0.371 115 H GLY 57 H GLY 57 17.745 -0.545 -4.406 116 1HA GLY 57 1HA GLY 57 20.023 -0.040 -4.122 117 2HA GLY 57 2HA GLY 57 20.312 -1.650 -3.492 118 H LYS 58 H LYS 58 19.149 -3.355 -5.339 119 HA LYS 58 HA LYS 58 20.758 -2.767 -7.715 120 1HB LYS 58 2HB LYS 58 20.874 -5.151 -8.056 121 2HB LYS 58 3HB LYS 58 21.372 -4.776 -6.419 122 1HG LYS 58 2HG LYS 58 18.851 -5.212 -5.792 123 2HG LYS 58 3HG LYS 58 18.757 -6.004 -7.353 124 1HD LYS 58 2HD LYS 58 19.301 -7.749 -5.815 125 2HD LYS 58 3HD LYS 58 20.806 -7.395 -6.641 126 1HE LYS 58 2HE LYS 58 21.405 -7.494 -4.334 127 2HE LYS 58 3HE LYS 58 21.341 -5.780 -4.692 128 1HZ LYS 58 1HZ LYS 58 19.328 -7.388 -3.302 129 2HZ LYS 58 2HZ LYS 58 20.134 -6.079 -2.747 130 3HZ LYS 58 3HZ LYS 58 18.982 -5.905 -3.892 131 H THR 59 H THR 59 19.692 -4.212 -9.686 132 HA THR 59 HA THR 59 17.134 -2.903 -10.088 133 HB THR 59 HB THR 59 19.272 -4.236 -11.760 134 HG1 THR 59 1HG THR 59 17.557 -1.855 -11.755 135 1HG2 THR 59 1HG2 THR 59 17.260 -3.452 -13.553 136 2HG2 THR 59 2HG2 THR 59 17.710 -5.134 -13.184 137 3HG2 THR 59 3HG2 THR 59 16.366 -4.360 -12.310 138 H CYS 60 H CYS 60 17.881 -6.074 -11.489 139 HA CYS 60 HA CYS 60 16.536 -7.676 -9.716 140 1HB CYS 60 2HB CYS 60 14.688 -5.956 -10.780 141 2HB CYS 60 3HB CYS 60 14.561 -7.323 -11.870 142 H ASP 61 H ASP 61 18.494 -8.764 -10.592 143 HA ASP 61 HA ASP 61 17.940 -9.900 -13.221 144 1HB ASP 61 2HB ASP 61 20.389 -10.098 -13.537 145 2HB ASP 61 3HB ASP 61 19.924 -8.428 -13.281 146 H THR 62 H THR 62 19.998 -11.902 -13.138 147 HA THR 62 HA THR 62 18.790 -13.919 -11.655 148 HB THR 62 HB THR 62 21.148 -13.490 -13.379 149 HG1 THR 62 1HG THR 62 20.377 -15.773 -13.821 150 1HG2 THR 62 1HG2 THR 62 22.360 -14.327 -11.329 151 2HG2 THR 62 2HG2 THR 62 21.233 -15.703 -11.261 152 3HG2 THR 62 3HG2 THR 62 22.345 -15.531 -12.639 153 H SER 63 H SER 63 20.812 -11.329 -10.588 154 HA SER 63 HA SER 63 21.561 -12.852 -8.237 155 1HB SER 63 2HB SER 63 23.221 -11.392 -9.573 156 2HB SER 63 3HB SER 63 22.378 -10.001 -8.919 157 HG SER 63 HG SER 63 23.172 -10.382 -6.920 158 H CYS 64 H CYS 64 18.871 -11.335 -9.237 159 HA CYS 64 HA CYS 64 18.203 -10.517 -6.549 160 1HB CYS 64 2HB CYS 64 19.065 -8.464 -7.659 161 2HB CYS 64 3HB CYS 64 17.816 -8.626 -8.878 162 H CYS 65 H CYS 65 16.650 -12.033 -6.324 163 HA CYS 65 HA CYS 65 14.609 -13.052 -6.564 164 1HB CYS 65 2HB CYS 65 14.092 -11.019 -8.771 165 2HB CYS 65 3HB CYS 65 12.879 -11.970 -7.878 166 H GLN 66 H GLN 66 15.942 -12.093 -9.838 167 HA GLN 66 HA GLN 66 14.935 -14.435 -11.007 168 1HB GLN 66 2HB GLN 66 17.292 -12.985 -12.191 169 2HB GLN 66 3HB GLN 66 15.873 -13.632 -12.990 170 1HG GLN 66 2HG GLN 66 16.125 -11.062 -11.394 171 2HG GLN 66 3HG GLN 66 15.567 -11.266 -13.043 172 1HE2 GLN 66 1HE2 GLN 66 14.122 -9.813 -11.262 173 2HE2 GLN 66 2HE2 GLN 66 12.642 -10.613 -10.849 Start of MODEL 11 1 H SER 37 H SER 37 2.253 -4.693 -1.818 2 HA SER 37 HA SER 37 3.274 -5.944 -4.058 3 1HB SER 37 2HB SER 37 1.495 -4.777 -5.305 4 2HB SER 37 3HB SER 37 1.980 -3.239 -4.618 5 HG SER 37 HG SER 37 2.931 -3.354 -6.658 6 H CYS 38 H CYS 38 5.361 -4.859 -4.776 7 HA CYS 38 HA CYS 38 6.244 -2.847 -2.854 8 1HB CYS 38 2HB CYS 38 8.489 -4.098 -2.871 9 2HB CYS 38 3HB CYS 38 7.198 -4.676 -1.837 10 H CYS 39 H CYS 39 7.128 -4.818 -5.721 11 HA CYS 39 HA CYS 39 7.854 -2.325 -7.164 12 1HB CYS 39 2HB CYS 39 9.831 -3.488 -8.099 13 2HB CYS 39 3HB CYS 39 9.937 -3.351 -6.325 14 HA PRO 40 HA PRO 40 5.380 -4.290 -10.160 15 1HB PRO 40 2HB PRO 40 5.784 -2.609 -12.276 16 2HB PRO 40 3HB PRO 40 4.634 -2.280 -10.996 17 1HG PRO 40 2HG PRO 40 7.285 -1.060 -11.465 18 2HG PRO 40 3HG PRO 40 5.964 -0.468 -10.477 19 1HD PRO 40 2HD PRO 40 8.365 -1.735 -9.552 20 2HD PRO 40 3HD PRO 40 6.992 -1.248 -8.576 21 H CYS 41 H CYS 41 8.559 -4.537 -9.947 22 HA CYS 41 HA CYS 41 8.889 -5.714 -12.580 23 1HB CYS 41 2HB CYS 41 11.009 -5.112 -12.416 24 2HB CYS 41 3HB CYS 41 10.577 -4.242 -10.957 25 H CYS 42 H CYS 42 7.571 -6.575 -9.657 26 HA CYS 42 HA CYS 42 8.301 -9.364 -10.086 27 1HB CYS 42 2HB CYS 42 8.550 -7.822 -7.525 28 2HB CYS 42 3HB CYS 42 8.148 -9.528 -7.480 29 HA PRO 43 HA PRO 43 4.013 -9.875 -9.523 30 1HB PRO 43 2HB PRO 43 3.799 -12.387 -8.467 31 2HB PRO 43 3HB PRO 43 4.079 -12.085 -10.170 32 1HG PRO 43 2HG PRO 43 5.987 -13.022 -8.115 33 2HG PRO 43 3HG PRO 43 6.118 -13.118 -9.860 34 1HD PRO 43 2HD PRO 43 7.471 -11.265 -8.137 35 2HD PRO 43 3HD PRO 43 7.511 -11.289 -9.889 36 H SER 44 H SER 44 2.142 -10.454 -7.993 37 HA SER 44 HA SER 44 2.651 -8.884 -5.704 38 1HB SER 44 2HB SER 44 0.193 -10.599 -6.235 39 2HB SER 44 3HB SER 44 0.292 -9.170 -5.226 40 HG SER 44 HG SER 44 -0.647 -8.636 -7.264 41 H GLY 45 H GLY 45 4.520 -10.712 -5.308 42 1HA GLY 45 1HA GLY 45 3.810 -12.011 -2.904 43 2HA GLY 45 2HA GLY 45 3.845 -13.182 -4.208 44 H CYS 46 H CYS 46 5.837 -13.646 -5.327 45 HA CYS 46 HA CYS 46 7.991 -14.107 -5.313 46 1HB CYS 46 2HB CYS 46 7.943 -11.823 -6.310 47 2HB CYS 46 3HB CYS 46 8.321 -11.156 -4.735 48 H THR 47 H THR 47 8.419 -15.469 -3.563 49 HA THR 47 HA THR 47 8.303 -14.649 -0.880 50 HB THR 47 HB THR 47 9.166 -16.882 -0.471 51 HG1 THR 47 1HG THR 47 9.942 -16.735 -3.298 52 1HG2 THR 47 1HG2 THR 47 8.128 -17.590 -3.158 53 2HG2 THR 47 2HG2 THR 47 7.530 -18.082 -1.555 54 3HG2 THR 47 3HG2 THR 47 7.038 -16.518 -2.249 55 H LYS 48 H LYS 48 10.613 -13.963 -3.341 56 HA LYS 48 HA LYS 48 12.864 -13.802 -1.591 57 1HB LYS 48 2HB LYS 48 12.287 -13.450 -4.447 58 2HB LYS 48 3HB LYS 48 13.451 -12.291 -3.836 59 1HG LYS 48 2HG LYS 48 14.224 -14.729 -2.640 60 2HG LYS 48 3HG LYS 48 13.755 -15.185 -4.265 61 1HD LYS 48 2HD LYS 48 15.215 -12.903 -4.783 62 2HD LYS 48 3HD LYS 48 16.039 -13.493 -3.354 63 1HE LYS 48 2HE LYS 48 16.179 -15.786 -4.496 64 2HE LYS 48 3HE LYS 48 15.567 -15.026 -5.952 65 1HZ LYS 48 1HZ LYS 48 17.791 -13.701 -4.699 66 2HZ LYS 48 2HZ LYS 48 18.121 -15.158 -5.356 67 3HZ LYS 48 3HZ LYS 48 17.494 -13.968 -6.282 68 H CYS 49 H CYS 49 10.510 -11.557 -3.035 69 HA CYS 49 HA CYS 49 11.656 -9.218 -1.760 70 1HB CYS 49 2HB CYS 49 9.240 -9.855 -3.437 71 2HB CYS 49 3HB CYS 49 9.276 -8.330 -2.517 72 H ALA 50 H ALA 50 9.836 -11.877 -0.588 73 HA ALA 50 HA ALA 50 8.084 -10.474 1.132 74 1HB ALA 50 1HB ALA 50 7.301 -12.583 1.145 75 2HB ALA 50 2HB ALA 50 8.828 -13.215 0.483 76 3HB ALA 50 3HB ALA 50 8.640 -13.000 2.241 77 H SER 51 H SER 51 11.511 -11.007 1.096 78 HA SER 51 HA SER 51 11.783 -10.905 3.932 79 1HB SER 51 2HB SER 51 13.371 -11.830 1.881 80 2HB SER 51 3HB SER 51 14.145 -10.294 2.220 81 HG SER 51 HG SER 51 13.953 -12.621 3.825 82 H GLY 52 H GLY 52 11.087 -8.652 1.480 83 1HA GLY 52 1HA GLY 52 10.637 -6.408 2.427 84 2HA GLY 52 2HA GLY 52 12.277 -6.439 3.045 85 H CYS 53 H CYS 53 11.029 -7.611 -0.148 86 HA CYS 53 HA CYS 53 11.524 -7.058 -2.211 87 1HB CYS 53 2HB CYS 53 10.742 -4.767 -1.281 88 2HB CYS 53 3HB CYS 53 12.437 -4.324 -1.351 89 H VAL 54 H VAL 54 13.282 -8.048 -3.136 90 HA VAL 54 HA VAL 54 15.894 -7.550 -1.930 91 HB VAL 54 HB VAL 54 16.371 -9.672 -2.392 92 1HG1 VAL 54 1HG1 VAL 54 13.917 -9.636 -1.552 93 2HG1 VAL 54 2HG1 VAL 54 13.506 -10.129 -3.212 94 3HG1 VAL 54 3HG1 VAL 54 14.570 -11.151 -2.219 95 1HG2 VAL 54 1HG2 VAL 54 16.847 -9.595 -4.653 96 2HG2 VAL 54 2HG2 VAL 54 15.503 -10.762 -4.623 97 3HG2 VAL 54 3HG2 VAL 54 15.203 -9.072 -5.093 98 H CYS 55 H CYS 55 14.036 -6.091 -4.086 99 HA CYS 55 HA CYS 55 16.056 -5.811 -6.230 100 1HB CYS 55 2HB CYS 55 13.352 -4.454 -6.111 101 2HB CYS 55 3HB CYS 55 14.318 -4.904 -7.538 102 H LYS 56 H LYS 56 15.203 -4.369 -3.216 103 HA LYS 56 HA LYS 56 15.656 -1.668 -3.976 104 1HB LYS 56 2HB LYS 56 14.606 -2.993 -1.771 105 2HB LYS 56 3HB LYS 56 16.111 -2.334 -1.161 106 1HG LYS 56 2HG LYS 56 14.826 -0.447 -0.857 107 2HG LYS 56 3HG LYS 56 15.250 -0.156 -2.532 108 1HD LYS 56 2HD LYS 56 13.057 -1.775 -2.869 109 2HD LYS 56 3HD LYS 56 12.635 -1.004 -1.354 110 1HE LYS 56 2HE LYS 56 12.856 1.225 -2.341 111 2HE LYS 56 3HE LYS 56 13.533 0.562 -3.816 112 1HZ LYS 56 1HZ LYS 56 10.837 -0.071 -2.838 113 2HZ LYS 56 2HZ LYS 56 11.159 1.079 -3.952 114 3HZ LYS 56 3HZ LYS 56 11.474 -0.489 -4.283 115 H GLY 57 H GLY 57 17.525 -0.389 -3.730 116 1HA GLY 57 1HA GLY 57 19.727 0.056 -3.657 117 2HA GLY 57 2HA GLY 57 19.920 -1.307 -2.572 118 H LYS 58 H LYS 58 18.356 -2.082 -5.591 119 HA LYS 58 HA LYS 58 20.699 -2.493 -7.125 120 1HB LYS 58 2HB LYS 58 21.091 -4.760 -6.931 121 2HB LYS 58 3HB LYS 58 20.771 -4.311 -5.269 122 1HG LYS 58 2HG LYS 58 18.430 -5.076 -5.465 123 2HG LYS 58 3HG LYS 58 18.649 -5.409 -7.171 124 1HD LYS 58 2HD LYS 58 20.313 -6.755 -4.996 125 2HD LYS 58 3HD LYS 58 18.819 -7.438 -5.608 126 1HE LYS 58 2HE LYS 58 19.729 -7.923 -7.712 127 2HE LYS 58 3HE LYS 58 20.896 -6.618 -7.633 128 1HZ LYS 58 1HZ LYS 58 21.306 -9.251 -6.990 129 2HZ LYS 58 2HZ LYS 58 22.361 -8.018 -6.812 130 3HZ LYS 58 3HZ LYS 58 21.387 -8.443 -5.572 131 H THR 59 H THR 59 19.895 -4.364 -8.934 132 HA THR 59 HA THR 59 17.467 -3.121 -9.973 133 HB THR 59 HB THR 59 19.640 -4.903 -11.192 134 HG1 THR 59 1HG THR 59 18.795 -2.106 -11.486 135 1HG2 THR 59 1HG2 THR 59 18.457 -4.952 -13.157 136 2HG2 THR 59 2HG2 THR 59 17.031 -4.538 -12.175 137 3HG2 THR 59 3HG2 THR 59 17.963 -3.251 -12.978 138 H CYS 60 H CYS 60 18.002 -6.181 -11.340 139 HA CYS 60 HA CYS 60 16.793 -7.864 -9.519 140 1HB CYS 60 2HB CYS 60 14.868 -6.274 -9.804 141 2HB CYS 60 3HB CYS 60 14.771 -6.770 -11.482 142 H ASP 61 H ASP 61 18.714 -8.830 -10.689 143 HA ASP 61 HA ASP 61 17.820 -9.940 -13.232 144 1HB ASP 61 2HB ASP 61 20.123 -9.918 -14.023 145 2HB ASP 61 3HB ASP 61 19.710 -8.303 -13.483 146 H THR 62 H THR 62 20.143 -11.735 -13.440 147 HA THR 62 HA THR 62 19.277 -13.925 -12.005 148 HB THR 62 HB THR 62 21.443 -13.153 -13.806 149 HG1 THR 62 1HG THR 62 20.120 -15.580 -12.825 150 1HG2 THR 62 1HG2 THR 62 22.105 -14.948 -11.430 151 2HG2 THR 62 2HG2 THR 62 22.873 -15.195 -13.017 152 3HG2 THR 62 3HG2 THR 62 23.103 -13.659 -12.145 153 H SER 63 H SER 63 21.363 -11.255 -10.991 154 HA SER 63 HA SER 63 22.261 -12.723 -8.708 155 1HB SER 63 2HB SER 63 23.647 -10.983 -9.934 156 2HB SER 63 3HB SER 63 22.561 -9.752 -9.322 157 HG SER 63 HG SER 63 23.380 -11.344 -7.243 158 H CYS 64 H CYS 64 19.301 -11.687 -9.465 159 HA CYS 64 HA CYS 64 18.778 -10.710 -6.753 160 1HB CYS 64 2HB CYS 64 18.521 -9.077 -8.804 161 2HB CYS 64 3HB CYS 64 17.010 -9.933 -9.041 162 H CYS 65 H CYS 65 15.866 -10.753 -7.714 163 HA CYS 65 HA CYS 65 15.095 -13.252 -6.692 164 1HB CYS 65 2HB CYS 65 13.550 -11.567 -8.699 165 2HB CYS 65 3HB CYS 65 12.887 -12.684 -7.480 166 H GLN 66 H GLN 66 16.475 -12.452 -9.810 167 HA GLN 66 HA GLN 66 15.224 -14.669 -11.106 168 1HB GLN 66 2HB GLN 66 17.615 -13.081 -12.109 169 2HB GLN 66 3HB GLN 66 16.454 -13.983 -13.062 170 1HG GLN 66 2HG GLN 66 16.013 -11.375 -11.559 171 2HG GLN 66 3HG GLN 66 15.829 -11.670 -13.277 172 1HE2 GLN 66 1HE2 GLN 66 14.104 -10.909 -10.772 173 2HE2 GLN 66 2HE2 GLN 66 12.632 -11.792 -11.005 Start of MODEL 12 1 H SER 37 H SER 37 1.806 -4.964 -1.403 2 HA SER 37 HA SER 37 2.176 -5.848 -4.006 3 1HB SER 37 2HB SER 37 0.901 -3.535 -4.251 4 2HB SER 37 3HB SER 37 2.469 -2.840 -3.888 5 HG SER 37 HG SER 37 1.641 -4.366 -6.158 6 H CYS 38 H CYS 38 4.467 -4.597 -4.821 7 HA CYS 38 HA CYS 38 6.119 -4.118 -2.498 8 1HB CYS 38 2HB CYS 38 6.091 -6.611 -2.901 9 2HB CYS 38 3HB CYS 38 6.867 -6.307 -4.442 10 H CYS 39 H CYS 39 6.630 -5.119 -5.904 11 HA CYS 39 HA CYS 39 7.356 -2.372 -6.677 12 1HB CYS 39 2HB CYS 39 9.516 -3.258 -7.682 13 2HB CYS 39 3HB CYS 39 9.491 -3.175 -5.903 14 HA PRO 40 HA PRO 40 5.477 -3.887 -10.293 15 1HB PRO 40 2HB PRO 40 6.064 -1.875 -12.046 16 2HB PRO 40 3HB PRO 40 4.741 -1.792 -10.899 17 1HG PRO 40 2HG PRO 40 7.363 -0.430 -10.806 18 2HG PRO 40 3HG PRO 40 5.896 -0.048 -9.927 19 1HD PRO 40 2HD PRO 40 8.219 -1.373 -8.892 20 2HD PRO 40 3HD PRO 40 6.709 -1.093 -8.049 21 H CYS 41 H CYS 41 8.449 -4.385 -9.611 22 HA CYS 41 HA CYS 41 9.135 -5.156 -12.354 23 1HB CYS 41 2HB CYS 41 11.189 -4.374 -12.079 24 2HB CYS 41 3HB CYS 41 10.582 -3.544 -10.661 25 H CYS 42 H CYS 42 7.574 -6.363 -9.833 26 HA CYS 42 HA CYS 42 8.681 -8.999 -10.224 27 1HB CYS 42 2HB CYS 42 8.725 -7.578 -7.583 28 2HB CYS 42 3HB CYS 42 8.479 -9.312 -7.635 29 HA PRO 43 HA PRO 43 4.445 -9.925 -9.808 30 1HB PRO 43 2HB PRO 43 4.434 -12.492 -8.871 31 2HB PRO 43 3HB PRO 43 4.731 -12.086 -10.550 32 1HG PRO 43 2HG PRO 43 6.662 -12.942 -8.483 33 2HG PRO 43 3HG PRO 43 6.846 -12.944 -10.226 34 1HD PRO 43 2HD PRO 43 7.979 -11.062 -8.382 35 2HD PRO 43 3HD PRO 43 8.067 -10.998 -10.132 36 H SER 44 H SER 44 2.553 -10.439 -8.436 37 HA SER 44 HA SER 44 2.924 -9.069 -6.024 38 1HB SER 44 2HB SER 44 0.541 -10.834 -6.687 39 2HB SER 44 3HB SER 44 0.567 -9.394 -5.689 40 HG SER 44 HG SER 44 1.243 -8.232 -7.736 41 H GLY 45 H GLY 45 4.826 -10.739 -5.508 42 1HA GLY 45 1HA GLY 45 4.058 -12.231 -3.266 43 2HA GLY 45 2HA GLY 45 4.202 -13.333 -4.622 44 H CYS 46 H CYS 46 6.269 -13.576 -5.729 45 HA CYS 46 HA CYS 46 8.434 -14.014 -5.568 46 1HB CYS 46 2HB CYS 46 8.422 -11.809 -6.614 47 2HB CYS 46 3HB CYS 46 8.504 -11.035 -5.044 48 H THR 47 H THR 47 8.700 -15.381 -3.760 49 HA THR 47 HA THR 47 8.509 -14.522 -1.100 50 HB THR 47 HB THR 47 9.145 -16.925 -2.648 51 HG1 THR 47 1HG THR 47 7.507 -17.252 -1.194 52 1HG2 THR 47 1HG2 THR 47 10.615 -16.530 0.012 53 2HG2 THR 47 2HG2 THR 47 10.524 -18.040 -0.926 54 3HG2 THR 47 3HG2 THR 47 11.420 -16.643 -1.571 55 H LYS 48 H LYS 48 10.885 -13.830 -3.476 56 HA LYS 48 HA LYS 48 13.095 -13.694 -1.671 57 1HB LYS 48 2HB LYS 48 12.588 -13.316 -4.534 58 2HB LYS 48 3HB LYS 48 13.724 -12.150 -3.887 59 1HG LYS 48 2HG LYS 48 14.508 -14.574 -2.687 60 2HG LYS 48 3HG LYS 48 14.062 -15.045 -4.315 61 1HD LYS 48 2HD LYS 48 15.507 -12.722 -4.788 62 2HD LYS 48 3HD LYS 48 16.339 -13.371 -3.389 63 1HE LYS 48 2HE LYS 48 17.221 -14.169 -5.655 64 2HE LYS 48 3HE LYS 48 16.846 -15.441 -4.510 65 1HZ LYS 48 1HZ LYS 48 15.025 -16.053 -5.686 66 2HZ LYS 48 2HZ LYS 48 14.749 -14.573 -6.319 67 3HZ LYS 48 3HZ LYS 48 15.945 -15.510 -6.921 68 H CYS 49 H CYS 49 10.692 -11.478 -3.047 69 HA CYS 49 HA CYS 49 11.833 -9.131 -1.761 70 1HB CYS 49 2HB CYS 49 9.469 -9.778 -3.493 71 2HB CYS 49 3HB CYS 49 9.405 -8.297 -2.506 72 H ALA 50 H ALA 50 10.084 -11.831 -0.608 73 HA ALA 50 HA ALA 50 8.278 -10.491 1.106 74 1HB ALA 50 1HB ALA 50 7.603 -12.651 0.938 75 2HB ALA 50 2HB ALA 50 9.246 -13.237 0.582 76 3HB ALA 50 3HB ALA 50 8.753 -12.938 2.266 77 H SER 51 H SER 51 11.721 -10.898 1.084 78 HA SER 51 HA SER 51 11.993 -10.818 3.914 79 1HB SER 51 2HB SER 51 13.621 -11.629 1.856 80 2HB SER 51 3HB SER 51 14.306 -10.051 2.193 81 HG SER 51 HG SER 51 13.757 -11.867 4.353 82 H GLY 52 H GLY 52 11.212 -8.555 1.480 83 1HA GLY 52 1HA GLY 52 10.631 -6.356 2.481 84 2HA GLY 52 2HA GLY 52 12.271 -6.313 3.098 85 H CYS 53 H CYS 53 11.091 -7.496 -0.115 86 HA CYS 53 HA CYS 53 11.561 -6.886 -2.169 87 1HB CYS 53 2HB CYS 53 10.534 -4.740 -1.442 88 2HB CYS 53 3HB CYS 53 12.132 -4.131 -1.059 89 H VAL 54 H VAL 54 13.384 -7.842 -3.009 90 HA VAL 54 HA VAL 54 15.947 -7.220 -1.792 91 HB VAL 54 HB VAL 54 16.536 -9.282 -2.385 92 1HG1 VAL 54 1HG1 VAL 54 13.702 -9.795 -3.290 93 2HG1 VAL 54 2HG1 VAL 54 14.802 -10.861 -2.384 94 3HG1 VAL 54 3HG1 VAL 54 14.084 -9.439 -1.588 95 1HG2 VAL 54 1HG2 VAL 54 15.780 -10.258 -4.701 96 2HG2 VAL 54 2HG2 VAL 54 15.386 -8.561 -5.066 97 3HG2 VAL 54 3HG2 VAL 54 17.050 -9.013 -4.626 98 H CYS 55 H CYS 55 14.021 -5.793 -3.962 99 HA CYS 55 HA CYS 55 16.066 -5.247 -6.018 100 1HB CYS 55 2HB CYS 55 13.335 -3.968 -5.890 101 2HB CYS 55 3HB CYS 55 14.311 -4.411 -7.313 102 H LYS 56 H LYS 56 15.015 -4.000 -2.953 103 HA LYS 56 HA LYS 56 15.131 -1.288 -3.325 104 1HB LYS 56 2HB LYS 56 14.868 -3.002 -1.194 105 2HB LYS 56 3HB LYS 56 16.424 -2.267 -0.862 106 1HG LYS 56 2HG LYS 56 15.258 0.010 -1.373 107 2HG LYS 56 3HG LYS 56 13.748 -0.872 -1.254 108 1HD LYS 56 2HD LYS 56 15.856 -0.962 0.947 109 2HD LYS 56 3HD LYS 56 14.605 0.265 0.905 110 1HE LYS 56 2HE LYS 56 12.914 -1.230 1.445 111 2HE LYS 56 3HE LYS 56 13.658 -2.559 0.580 112 1HZ LYS 56 1HZ LYS 56 14.563 -3.233 2.453 113 2HZ LYS 56 2HZ LYS 56 15.292 -1.795 2.718 114 3HZ LYS 56 3HZ LYS 56 13.778 -2.058 3.273 115 H GLY 57 H GLY 57 17.654 -3.680 -3.670 116 1HA GLY 57 1HA GLY 57 19.730 -1.592 -3.574 117 2HA GLY 57 2HA GLY 57 19.985 -3.322 -3.470 118 H LYS 58 H LYS 58 20.146 -4.592 -5.358 119 HA LYS 58 HA LYS 58 20.903 -3.215 -7.686 120 1HB LYS 58 2HB LYS 58 21.120 -5.455 -8.656 121 2HB LYS 58 3HB LYS 58 21.864 -5.358 -7.073 122 1HG LYS 58 2HG LYS 58 19.400 -6.162 -6.289 123 2HG LYS 58 3HG LYS 58 19.368 -6.815 -7.915 124 1HD LYS 58 2HD LYS 58 20.251 -8.529 -6.424 125 2HD LYS 58 3HD LYS 58 21.552 -7.986 -7.466 126 1HE LYS 58 2HE LYS 58 21.659 -6.236 -5.245 127 2HE LYS 58 3HE LYS 58 21.315 -7.804 -4.543 128 1HZ LYS 58 1HZ LYS 58 23.254 -8.081 -6.535 129 2HZ LYS 58 2HZ LYS 58 23.724 -6.903 -5.506 130 3HZ LYS 58 3HZ LYS 58 23.383 -8.395 -4.937 131 H THR 59 H THR 59 19.818 -4.275 -9.896 132 HA THR 59 HA THR 59 17.245 -3.030 -9.958 133 HB THR 59 HB THR 59 19.256 -4.202 -11.849 134 HG1 THR 59 1HG THR 59 18.626 -2.133 -12.825 135 1HG2 THR 59 1HG2 THR 59 16.310 -4.481 -12.226 136 2HG2 THR 59 2HG2 THR 59 17.142 -3.610 -13.537 137 3HG2 THR 59 3HG2 THR 59 17.640 -5.264 -13.111 138 H CYS 60 H CYS 60 17.896 -6.208 -11.471 139 HA CYS 60 HA CYS 60 16.482 -7.773 -9.711 140 1HB CYS 60 2HB CYS 60 14.682 -6.033 -10.717 141 2HB CYS 60 3HB CYS 60 14.588 -7.283 -11.941 142 H ASP 61 H ASP 61 18.356 -9.003 -10.487 143 HA ASP 61 HA ASP 61 17.844 -10.132 -13.124 144 1HB ASP 61 2HB ASP 61 20.306 -10.380 -13.404 145 2HB ASP 61 3HB ASP 61 19.837 -8.699 -13.244 146 H THR 62 H THR 62 19.821 -12.177 -13.029 147 HA THR 62 HA THR 62 18.602 -14.097 -11.400 148 HB THR 62 HB THR 62 20.818 -13.850 -13.335 149 HG1 THR 62 1HG THR 62 19.034 -15.938 -12.293 150 1HG2 THR 62 1HG2 THR 62 20.963 -16.112 -11.286 151 2HG2 THR 62 2HG2 THR 62 22.076 -15.801 -12.640 152 3HG2 THR 62 3HG2 THR 62 22.057 -14.710 -11.233 153 H SER 63 H SER 63 20.727 -11.544 -10.558 154 HA SER 63 HA SER 63 21.564 -13.038 -8.202 155 1HB SER 63 2HB SER 63 23.274 -11.866 -9.770 156 2HB SER 63 3HB SER 63 22.677 -10.357 -9.107 157 HG SER 63 HG SER 63 24.031 -10.690 -7.491 158 H CYS 64 H CYS 64 18.881 -11.666 -8.859 159 HA CYS 64 HA CYS 64 18.864 -9.960 -6.481 160 1HB CYS 64 2HB CYS 64 18.752 -8.653 -8.633 161 2HB CYS 64 3HB CYS 64 17.221 -9.439 -8.964 162 H CYS 65 H CYS 65 16.413 -11.061 -8.841 163 HA CYS 65 HA CYS 65 15.155 -12.723 -6.710 164 1HB CYS 65 2HB CYS 65 13.785 -10.944 -8.770 165 2HB CYS 65 3HB CYS 65 12.960 -12.024 -7.618 166 H GLN 66 H GLN 66 16.192 -12.327 -10.085 167 HA GLN 66 HA GLN 66 14.700 -14.575 -10.964 168 1HB GLN 66 2HB GLN 66 17.114 -13.514 -12.437 169 2HB GLN 66 3HB GLN 66 15.611 -14.135 -13.088 170 1HG GLN 66 2HG GLN 66 16.087 -11.441 -11.751 171 2HG GLN 66 3HG GLN 66 15.553 -11.742 -13.393 172 1HE2 GLN 66 1HE2 GLN 66 14.487 -10.436 -10.780 173 2HE2 GLN 66 2HE2 GLN 66 12.835 -10.948 -10.697 Start of MODEL 13 1 H SER 37 H SER 37 1.488 -6.548 -4.013 2 HA SER 37 HA SER 37 2.622 -5.073 -5.149 3 1HB SER 37 2HB SER 37 1.868 -2.937 -5.154 4 2HB SER 37 3HB SER 37 0.792 -3.425 -3.859 5 HG SER 37 HG SER 37 2.994 -1.742 -3.780 6 H CYS 38 H CYS 38 4.816 -4.211 -5.143 7 HA CYS 38 HA CYS 38 6.137 -3.718 -2.688 8 1HB CYS 38 2HB CYS 38 6.021 -6.171 -2.558 9 2HB CYS 38 3HB CYS 38 6.825 -6.299 -4.111 10 H CYS 39 H CYS 39 6.326 -4.775 -6.090 11 HA CYS 39 HA CYS 39 7.718 -2.399 -6.921 12 1HB CYS 39 2HB CYS 39 9.767 -3.708 -7.740 13 2HB CYS 39 3HB CYS 39 9.685 -3.386 -5.989 14 HA PRO 40 HA PRO 40 5.797 -3.936 -10.511 15 1HB PRO 40 2HB PRO 40 6.624 -2.072 -12.330 16 2HB PRO 40 3HB PRO 40 5.270 -1.818 -11.246 17 1HG PRO 40 2HG PRO 40 7.995 -0.682 -11.104 18 2HG PRO 40 3HG PRO 40 6.533 -0.132 -10.308 19 1HD PRO 40 2HD PRO 40 8.691 -1.596 -9.112 20 2HD PRO 40 3HD PRO 40 7.178 -1.147 -8.349 21 H CYS 41 H CYS 41 8.683 -4.652 -9.678 22 HA CYS 41 HA CYS 41 9.361 -5.679 -12.338 23 1HB CYS 41 2HB CYS 41 11.706 -5.654 -11.670 24 2HB CYS 41 3HB CYS 41 11.000 -4.049 -11.664 25 H CYS 42 H CYS 42 7.662 -6.601 -9.858 26 HA CYS 42 HA CYS 42 8.597 -9.298 -9.958 27 1HB CYS 42 2HB CYS 42 8.769 -7.739 -7.380 28 2HB CYS 42 3HB CYS 42 8.638 -9.486 -7.420 29 HA PRO 43 HA PRO 43 4.318 -9.778 -9.303 30 1HB PRO 43 2HB PRO 43 4.138 -12.328 -8.338 31 2HB PRO 43 3HB PRO 43 4.352 -11.960 -10.037 32 1HG PRO 43 2HG PRO 43 6.338 -12.980 -8.099 33 2HG PRO 43 3HG PRO 43 6.398 -13.008 -9.850 34 1HD PRO 43 2HD PRO 43 7.824 -11.227 -8.111 35 2HD PRO 43 3HD PRO 43 7.795 -11.181 -9.863 36 H SER 44 H SER 44 2.500 -10.355 -7.739 37 HA SER 44 HA SER 44 3.109 -8.897 -5.409 38 1HB SER 44 2HB SER 44 0.625 -10.582 -5.921 39 2HB SER 44 3HB SER 44 0.767 -9.206 -4.844 40 HG SER 44 HG SER 44 0.902 -9.191 -7.735 41 H GLY 45 H GLY 45 4.987 -10.706 -5.108 42 1HA GLY 45 1HA GLY 45 4.350 -12.109 -2.747 43 2HA GLY 45 2HA GLY 45 4.352 -13.229 -4.095 44 H CYS 46 H CYS 46 6.316 -13.582 -5.333 45 HA CYS 46 HA CYS 46 8.473 -14.052 -5.380 46 1HB CYS 46 2HB CYS 46 8.432 -11.787 -6.335 47 2HB CYS 46 3HB CYS 46 8.725 -11.103 -4.748 48 H THR 47 H THR 47 8.881 -15.482 -3.662 49 HA THR 47 HA THR 47 8.808 -14.870 -0.975 50 HB THR 47 HB THR 47 10.015 -16.995 -0.743 51 HG1 THR 47 1HG THR 47 10.639 -16.342 -3.536 52 1HG2 THR 47 1HG2 THR 47 8.503 -18.346 -1.851 53 2HG2 THR 47 2HG2 THR 47 7.712 -16.806 -2.268 54 3HG2 THR 47 3HG2 THR 47 8.831 -17.573 -3.420 55 H LYS 48 H LYS 48 11.111 -13.851 -3.374 56 HA LYS 48 HA LYS 48 13.266 -13.489 -1.543 57 1HB LYS 48 2HB LYS 48 12.742 -13.112 -4.404 58 2HB LYS 48 3HB LYS 48 13.746 -11.848 -3.724 59 1HG LYS 48 2HG LYS 48 14.764 -14.208 -2.566 60 2HG LYS 48 3HG LYS 48 14.389 -14.680 -4.211 61 1HD LYS 48 2HD LYS 48 15.594 -12.334 -4.777 62 2HD LYS 48 3HD LYS 48 16.359 -12.620 -3.226 63 1HE LYS 48 2HE LYS 48 17.689 -13.569 -5.122 64 2HE LYS 48 3HE LYS 48 17.206 -14.802 -3.975 65 1HZ LYS 48 1HZ LYS 48 15.238 -14.457 -5.957 66 2HZ LYS 48 2HZ LYS 48 16.684 -14.772 -6.647 67 3HZ LYS 48 3HZ LYS 48 16.063 -15.807 -5.548 68 H CYS 49 H CYS 49 10.645 -11.526 -2.901 69 HA CYS 49 HA CYS 49 11.511 -9.146 -1.412 70 1HB CYS 49 2HB CYS 49 9.363 -9.791 -3.439 71 2HB CYS 49 3HB CYS 49 9.276 -8.295 -2.474 72 H ALA 50 H ALA 50 9.731 -12.006 -0.748 73 HA ALA 50 HA ALA 50 7.576 -10.991 0.692 74 1HB ALA 50 1HB ALA 50 9.115 -13.543 0.514 75 2HB ALA 50 2HB ALA 50 8.113 -13.313 1.966 76 3HB ALA 50 3HB ALA 50 7.367 -13.247 0.352 77 H SER 51 H SER 51 11.038 -11.349 1.468 78 HA SER 51 HA SER 51 10.583 -10.831 4.233 79 1HB SER 51 2HB SER 51 12.630 -12.001 2.762 80 2HB SER 51 3HB SER 51 13.329 -10.451 3.184 81 HG SER 51 HG SER 51 13.470 -12.435 4.738 82 H GLY 52 H GLY 52 10.394 -8.942 1.485 83 1HA GLY 52 1HA GLY 52 9.994 -6.535 2.485 84 2HA GLY 52 2HA GLY 52 11.743 -6.592 2.578 85 H CYS 53 H CYS 53 13.027 -6.708 0.626 86 HA CYS 53 HA CYS 53 11.929 -6.977 -1.906 87 1HB CYS 53 2HB CYS 53 10.790 -4.850 -1.361 88 2HB CYS 53 3HB CYS 53 12.347 -4.085 -1.118 89 H VAL 54 H VAL 54 13.759 -7.944 -2.725 90 HA VAL 54 HA VAL 54 16.347 -7.073 -1.792 91 HB VAL 54 HB VAL 54 17.111 -9.070 -2.543 92 1HG1 VAL 54 1HG1 VAL 54 15.679 -10.707 -1.801 93 2HG1 VAL 54 2HG1 VAL 54 14.852 -9.266 -1.163 94 3HG1 VAL 54 3HG1 VAL 54 14.278 -10.030 -2.664 95 1HG2 VAL 54 1HG2 VAL 54 15.316 -8.579 -4.870 96 2HG2 VAL 54 2HG2 VAL 54 17.014 -9.113 -4.818 97 3HG2 VAL 54 3HG2 VAL 54 15.706 -10.274 -4.489 98 H CYS 55 H CYS 55 14.216 -5.807 -3.845 99 HA CYS 55 HA CYS 55 16.005 -5.300 -6.121 100 1HB CYS 55 2HB CYS 55 13.321 -3.994 -5.627 101 2HB CYS 55 3HB CYS 55 14.112 -4.384 -7.174 102 H LYS 56 H LYS 56 15.457 -3.993 -2.968 103 HA LYS 56 HA LYS 56 15.563 -1.283 -3.409 104 1HB LYS 56 2HB LYS 56 15.586 -2.975 -1.226 105 2HB LYS 56 3HB LYS 56 17.160 -2.213 -1.123 106 1HG LYS 56 2HG LYS 56 16.104 -0.439 -0.172 107 2HG LYS 56 3HG LYS 56 15.492 -0.066 -1.771 108 1HD LYS 56 2HD LYS 56 13.853 -2.168 -0.636 109 2HD LYS 56 3HD LYS 56 14.005 -0.886 0.549 110 1HE LYS 56 2HE LYS 56 13.181 0.783 -1.032 111 2HE LYS 56 3HE LYS 56 13.262 -0.353 -2.363 112 1HZ LYS 56 1HZ LYS 56 11.494 -0.574 -0.027 113 2HZ LYS 56 2HZ LYS 56 11.042 -0.189 -1.549 114 3HZ LYS 56 3HZ LYS 56 11.599 -1.688 -1.216 115 H GLY 57 H GLY 57 18.272 -3.673 -3.176 116 1HA GLY 57 1HA GLY 57 20.261 -1.658 -3.692 117 2HA GLY 57 2HA GLY 57 20.493 -3.390 -3.561 118 H LYS 58 H LYS 58 20.267 -4.757 -5.424 119 HA LYS 58 HA LYS 58 20.926 -3.463 -7.850 120 1HB LYS 58 2HB LYS 58 20.789 -5.807 -8.761 121 2HB LYS 58 3HB LYS 58 21.901 -5.578 -7.426 122 1HG LYS 58 2HG LYS 58 19.206 -6.242 -6.459 123 2HG LYS 58 3HG LYS 58 19.796 -7.461 -7.571 124 1HD LYS 58 2HD LYS 58 21.873 -7.718 -6.245 125 2HD LYS 58 3HD LYS 58 21.378 -6.424 -5.172 126 1HE LYS 58 2HE LYS 58 19.165 -8.102 -5.075 127 2HE LYS 58 3HE LYS 58 20.473 -9.255 -5.259 128 1HZ LYS 58 1HZ LYS 58 21.546 -8.316 -3.369 129 2HZ LYS 58 2HZ LYS 58 20.443 -7.119 -3.242 130 3HZ LYS 58 3HZ LYS 58 20.006 -8.665 -2.952 131 H THR 59 H THR 59 19.675 -4.078 -9.957 132 HA THR 59 HA THR 59 17.108 -2.913 -9.731 133 HB THR 59 HB THR 59 18.951 -3.973 -11.837 134 HG1 THR 59 1HG THR 59 16.961 -1.828 -11.731 135 1HG2 THR 59 1HG2 THR 59 17.233 -5.008 -12.995 136 2HG2 THR 59 2HG2 THR 59 15.974 -4.226 -12.008 137 3HG2 THR 59 3HG2 THR 59 16.737 -3.335 -13.347 138 H CYS 60 H CYS 60 17.602 -6.019 -11.450 139 HA CYS 60 HA CYS 60 16.269 -7.640 -9.671 140 1HB CYS 60 2HB CYS 60 14.441 -5.851 -10.486 141 2HB CYS 60 3HB CYS 60 14.279 -7.013 -11.788 142 H ASP 61 H ASP 61 18.171 -8.754 -10.643 143 HA ASP 61 HA ASP 61 17.452 -9.864 -13.240 144 1HB ASP 61 2HB ASP 61 19.877 -10.013 -13.760 145 2HB ASP 61 3HB ASP 61 19.376 -8.353 -13.508 146 H THR 62 H THR 62 19.548 -11.817 -13.343 147 HA THR 62 HA THR 62 18.537 -13.825 -11.678 148 HB THR 62 HB THR 62 20.638 -13.425 -13.728 149 HG1 THR 62 1HG THR 62 18.443 -14.585 -13.676 150 1HG2 THR 62 1HG2 THR 62 21.831 -15.542 -13.155 151 2HG2 THR 62 2HG2 THR 62 22.110 -14.308 -11.902 152 3HG2 THR 62 3HG2 THR 62 20.945 -15.623 -11.614 153 H SER 63 H SER 63 20.565 -11.180 -10.910 154 HA SER 63 HA SER 63 21.628 -12.675 -8.645 155 1HB SER 63 2HB SER 63 23.189 -11.414 -10.294 156 2HB SER 63 3HB SER 63 22.567 -9.938 -9.582 157 HG SER 63 HG SER 63 23.609 -10.333 -7.702 158 H CYS 64 H CYS 64 18.847 -11.466 -9.063 159 HA CYS 64 HA CYS 64 18.914 -9.775 -6.678 160 1HB CYS 64 2HB CYS 64 18.597 -8.446 -8.796 161 2HB CYS 64 3HB CYS 64 17.085 -9.297 -9.034 162 H CYS 65 H CYS 65 16.338 -10.920 -8.872 163 HA CYS 65 HA CYS 65 15.304 -12.668 -6.689 164 1HB CYS 65 2HB CYS 65 13.738 -10.950 -8.658 165 2HB CYS 65 3HB CYS 65 13.030 -12.073 -7.471 166 H GLN 66 H GLN 66 16.146 -12.230 -10.108 167 HA GLN 66 HA GLN 66 14.722 -14.573 -10.883 168 1HB GLN 66 2HB GLN 66 16.899 -13.418 -12.599 169 2HB GLN 66 3HB GLN 66 15.317 -14.014 -13.061 170 1HG GLN 66 2HG GLN 66 16.001 -11.345 -11.770 171 2HG GLN 66 3HG GLN 66 15.227 -11.623 -13.317 172 1HE2 GLN 66 1HE2 GLN 66 13.418 -13.619 -12.626 173 2HE2 GLN 66 2HE2 GLN 66 12.194 -12.974 -11.584 Start of MODEL 14 1 H SER 37 H SER 37 1.660 -2.912 -3.218 2 HA SER 37 HA SER 37 2.361 -5.197 -4.754 3 1HB SER 37 2HB SER 37 1.556 -3.153 -6.324 4 2HB SER 37 3HB SER 37 3.206 -2.624 -6.060 5 HG SER 37 HG SER 37 3.822 -4.903 -6.727 6 H CYS 38 H CYS 38 4.761 -5.430 -4.896 7 HA CYS 38 HA CYS 38 6.015 -3.920 -2.740 8 1HB CYS 38 2HB CYS 38 5.992 -6.352 -2.510 9 2HB CYS 38 3HB CYS 38 6.814 -6.529 -4.048 10 H CYS 39 H CYS 39 6.214 -4.895 -6.139 11 HA CYS 39 HA CYS 39 7.645 -2.551 -6.930 12 1HB CYS 39 2HB CYS 39 9.716 -3.855 -7.723 13 2HB CYS 39 3HB CYS 39 9.611 -3.506 -5.980 14 HA PRO 40 HA PRO 40 5.808 -4.096 -10.560 15 1HB PRO 40 2HB PRO 40 6.663 -2.229 -12.363 16 2HB PRO 40 3HB PRO 40 5.288 -1.981 -11.306 17 1HG PRO 40 2HG PRO 40 8.006 -0.833 -11.111 18 2HG PRO 40 3HG PRO 40 6.526 -0.289 -10.345 19 1HD PRO 40 2HD PRO 40 8.665 -1.744 -9.106 20 2HD PRO 40 3HD PRO 40 7.136 -1.301 -8.372 21 H CYS 41 H CYS 41 8.680 -4.799 -9.670 22 HA CYS 41 HA CYS 41 9.415 -5.825 -12.316 23 1HB CYS 41 2HB CYS 41 11.752 -5.812 -11.564 24 2HB CYS 41 3HB CYS 41 11.048 -4.209 -11.646 25 H CYS 42 H CYS 42 7.703 -6.725 -9.805 26 HA CYS 42 HA CYS 42 8.618 -9.432 -9.916 27 1HB CYS 42 2HB CYS 42 8.775 -7.888 -7.325 28 2HB CYS 42 3HB CYS 42 8.680 -9.636 -7.393 29 HA PRO 43 HA PRO 43 4.338 -9.894 -9.256 30 1HB PRO 43 2HB PRO 43 4.148 -12.437 -8.275 31 2HB PRO 43 3HB PRO 43 4.363 -12.080 -9.978 32 1HG PRO 43 2HG PRO 43 6.344 -13.096 -8.031 33 2HG PRO 43 3HG PRO 43 6.406 -13.134 -9.782 34 1HD PRO 43 2HD PRO 43 7.837 -11.349 -8.053 35 2HD PRO 43 3HD PRO 43 7.809 -11.313 -9.806 36 H SER 44 H SER 44 2.513 -10.409 -7.700 37 HA SER 44 HA SER 44 3.122 -8.949 -5.381 38 1HB SER 44 2HB SER 44 0.643 -10.648 -5.866 39 2HB SER 44 3HB SER 44 0.782 -9.254 -4.814 40 HG SER 44 HG SER 44 1.502 -8.744 -7.483 41 H GLY 45 H GLY 45 5.006 -10.742 -5.054 42 1HA GLY 45 1HA GLY 45 4.391 -12.110 -2.675 43 2HA GLY 45 2HA GLY 45 4.366 -13.255 -4.002 44 H CYS 46 H CYS 46 6.309 -13.663 -5.246 45 HA CYS 46 HA CYS 46 8.460 -14.125 -5.345 46 1HB CYS 46 2HB CYS 46 8.449 -11.863 -6.284 47 2HB CYS 46 3HB CYS 46 8.731 -11.183 -4.694 48 H THR 47 H THR 47 8.931 -15.574 -3.670 49 HA THR 47 HA THR 47 8.860 -15.028 -0.970 50 HB THR 47 HB THR 47 10.092 -17.135 -0.790 51 HG1 THR 47 1HG THR 47 10.744 -16.406 -3.559 52 1HG2 THR 47 1HG2 THR 47 7.871 -16.868 -2.550 53 2HG2 THR 47 2HG2 THR 47 9.057 -17.855 -3.436 54 3HG2 THR 47 3HG2 THR 47 8.482 -18.379 -1.835 55 H LYS 48 H LYS 48 11.144 -13.920 -3.354 56 HA LYS 48 HA LYS 48 13.288 -13.545 -1.515 57 1HB LYS 48 2HB LYS 48 12.776 -13.185 -4.366 58 2HB LYS 48 3HB LYS 48 13.689 -11.848 -3.695 59 1HG LYS 48 2HG LYS 48 14.794 -14.214 -2.533 60 2HG LYS 48 3HG LYS 48 14.568 -14.574 -4.232 61 1HD LYS 48 2HD LYS 48 15.720 -12.323 -4.740 62 2HD LYS 48 3HD LYS 48 16.134 -12.245 -3.039 63 1HE LYS 48 2HE LYS 48 18.043 -13.254 -4.029 64 2HE LYS 48 3HE LYS 48 17.170 -14.611 -3.346 65 1HZ LYS 48 1HZ LYS 48 17.877 -14.963 -5.638 66 2HZ LYS 48 2HZ LYS 48 16.256 -15.077 -5.481 67 3HZ LYS 48 3HZ LYS 48 16.920 -13.739 -6.141 68 H CYS 49 H CYS 49 10.679 -11.571 -2.902 69 HA CYS 49 HA CYS 49 11.484 -9.211 -1.362 70 1HB CYS 49 2HB CYS 49 9.330 -9.871 -3.380 71 2HB CYS 49 3HB CYS 49 9.239 -8.381 -2.407 72 H ALA 50 H ALA 50 9.800 -12.112 -0.689 73 HA ALA 50 HA ALA 50 7.611 -11.162 0.751 74 1HB ALA 50 1HB ALA 50 9.315 -13.670 0.894 75 2HB ALA 50 2HB ALA 50 7.888 -13.428 1.933 76 3HB ALA 50 3HB ALA 50 7.704 -13.466 0.162 77 H SER 51 H SER 51 11.084 -11.403 1.509 78 HA SER 51 HA SER 51 10.616 -10.902 4.279 79 1HB SER 51 2HB SER 51 12.688 -12.034 2.813 80 2HB SER 51 3HB SER 51 13.354 -10.468 3.231 81 HG SER 51 HG SER 51 13.843 -11.476 5.072 82 H GLY 52 H GLY 52 10.377 -9.026 1.531 83 1HA GLY 52 1HA GLY 52 9.920 -6.628 2.506 84 2HA GLY 52 2HA GLY 52 11.668 -6.641 2.629 85 H CYS 53 H CYS 53 12.987 -6.778 0.689 86 HA CYS 53 HA CYS 53 11.925 -7.059 -1.855 87 1HB CYS 53 2HB CYS 53 10.767 -4.931 -1.308 88 2HB CYS 53 3HB CYS 53 12.325 -4.159 -1.092 89 H VAL 54 H VAL 54 13.780 -8.042 -2.603 90 HA VAL 54 HA VAL 54 16.345 -7.105 -1.667 91 HB VAL 54 HB VAL 54 17.163 -9.106 -2.386 92 1HG1 VAL 54 1HG1 VAL 54 14.378 -10.178 -2.378 93 2HG1 VAL 54 2HG1 VAL 54 15.815 -10.705 -1.470 94 3HG1 VAL 54 3HG1 VAL 54 14.911 -9.264 -0.947 95 1HG2 VAL 54 1HG2 VAL 54 15.595 -10.384 -4.226 96 2HG2 VAL 54 2HG2 VAL 54 15.369 -8.682 -4.694 97 3HG2 VAL 54 3HG2 VAL 54 17.007 -9.374 -4.621 98 H CYS 55 H CYS 55 14.224 -5.932 -3.780 99 HA CYS 55 HA CYS 55 15.977 -5.517 -6.087 100 1HB CYS 55 2HB CYS 55 13.361 -4.096 -5.533 101 2HB CYS 55 3HB CYS 55 14.092 -4.529 -7.100 102 H LYS 56 H LYS 56 15.591 -4.111 -2.953 103 HA LYS 56 HA LYS 56 15.863 -1.411 -3.560 104 1HB LYS 56 2HB LYS 56 15.585 -2.931 -1.286 105 2HB LYS 56 3HB LYS 56 17.229 -2.349 -1.123 106 1HG LYS 56 2HG LYS 56 16.577 -0.154 -0.860 107 2HG LYS 56 3HG LYS 56 15.283 -0.284 -2.035 108 1HD LYS 56 2HD LYS 56 13.846 -1.445 -0.407 109 2HD LYS 56 3HD LYS 56 15.155 -1.517 0.756 110 1HE LYS 56 2HE LYS 56 14.117 1.132 -0.336 111 2HE LYS 56 3HE LYS 56 13.408 0.369 1.072 112 1HZ LYS 56 1HZ LYS 56 15.550 1.977 1.099 113 2HZ LYS 56 2HZ LYS 56 15.140 0.951 2.301 114 3HZ LYS 56 3HZ LYS 56 16.248 0.503 1.188 115 H GLY 57 H GLY 57 18.294 -4.043 -3.168 116 1HA GLY 57 1HA GLY 57 20.597 -2.480 -3.272 117 2HA GLY 57 2HA GLY 57 20.458 -4.158 -3.759 118 H LYS 58 H LYS 58 19.752 -4.664 -6.000 119 HA LYS 58 HA LYS 58 20.443 -2.452 -7.806 120 1HB LYS 58 2HB LYS 58 21.261 -4.154 -9.359 121 2HB LYS 58 3HB LYS 58 22.108 -4.229 -7.826 122 1HG LYS 58 2HG LYS 58 19.733 -5.932 -7.745 123 2HG LYS 58 3HG LYS 58 20.721 -6.342 -9.133 124 1HD LYS 58 2HD LYS 58 22.247 -7.372 -7.810 125 2HD LYS 58 3HD LYS 58 22.469 -5.916 -6.861 126 1HE LYS 58 2HE LYS 58 19.909 -7.250 -6.252 127 2HE LYS 58 3HE LYS 58 21.281 -8.306 -5.977 128 1HZ LYS 58 1HZ LYS 58 20.625 -6.820 -4.103 129 2HZ LYS 58 2HZ LYS 58 22.206 -6.773 -4.503 130 3HZ LYS 58 3HZ LYS 58 21.214 -5.559 -4.957 131 H THR 59 H THR 59 19.497 -3.278 -10.192 132 HA THR 59 HA THR 59 16.825 -2.681 -10.124 133 HB THR 59 HB THR 59 18.688 -4.071 -12.076 134 HG1 THR 59 1HG THR 59 18.507 -1.980 -12.929 135 1HG2 THR 59 1HG2 THR 59 15.769 -4.260 -12.107 136 2HG2 THR 59 2HG2 THR 59 16.332 -3.229 -13.444 137 3HG2 THR 59 3HG2 THR 59 16.936 -4.896 -13.291 138 H CYS 60 H CYS 60 17.352 -5.832 -11.592 139 HA CYS 60 HA CYS 60 16.469 -7.434 -9.523 140 1HB CYS 60 2HB CYS 60 14.408 -6.005 -9.745 141 2HB CYS 60 3HB CYS 60 14.184 -6.674 -11.349 142 H ASP 61 H ASP 61 18.210 -8.587 -10.643 143 HA ASP 61 HA ASP 61 17.255 -9.786 -13.123 144 1HB ASP 61 2HB ASP 61 19.614 -9.944 -13.861 145 2HB ASP 61 3HB ASP 61 19.156 -8.277 -13.578 146 H THR 62 H THR 62 19.353 -11.738 -13.344 147 HA THR 62 HA THR 62 18.480 -13.724 -11.601 148 HB THR 62 HB THR 62 20.458 -13.321 -13.752 149 HG1 THR 62 1HG THR 62 18.851 -14.778 -14.239 150 1HG2 THR 62 1HG2 THR 62 22.146 -14.066 -12.141 151 2HG2 THR 62 2HG2 THR 62 21.035 -15.289 -11.479 152 3HG2 THR 62 3HG2 THR 62 21.687 -15.476 -13.126 153 H SER 63 H SER 63 20.531 -11.042 -10.975 154 HA SER 63 HA SER 63 21.738 -12.476 -8.753 155 1HB SER 63 2HB SER 63 23.100 -11.061 -10.475 156 2HB SER 63 3HB SER 63 22.449 -9.662 -9.644 157 HG SER 63 HG SER 63 24.615 -10.928 -8.951 158 H CYS 64 H CYS 64 18.865 -11.368 -9.078 159 HA CYS 64 HA CYS 64 18.929 -9.787 -6.619 160 1HB CYS 64 2HB CYS 64 18.513 -8.398 -8.703 161 2HB CYS 64 3HB CYS 64 16.999 -9.263 -8.881 162 H CYS 65 H CYS 65 16.263 -10.802 -8.746 163 HA CYS 65 HA CYS 65 15.359 -12.717 -6.645 164 1HB CYS 65 2HB CYS 65 13.689 -10.983 -8.512 165 2HB CYS 65 3HB CYS 65 13.058 -12.144 -7.318 166 H GLN 66 H GLN 66 16.087 -12.104 -10.068 167 HA GLN 66 HA GLN 66 14.677 -14.389 -10.960 168 1HB GLN 66 2HB GLN 66 16.946 -12.981 -12.417 169 2HB GLN 66 3HB GLN 66 15.627 -13.895 -13.121 170 1HG GLN 66 2HG GLN 66 15.386 -11.238 -11.634 171 2HG GLN 66 3HG GLN 66 15.201 -11.478 -13.360 172 1HE2 GLN 66 1HE2 GLN 66 13.474 -10.707 -10.884 173 2HE2 GLN 66 2HE2 GLN 66 11.986 -11.558 -11.130 Start of MODEL 15 1 H SER 37 H SER 37 1.366 -3.764 -2.625 2 HA SER 37 HA SER 37 2.292 -5.227 -4.972 3 1HB SER 37 2HB SER 37 1.446 -2.509 -4.823 4 2HB SER 37 3HB SER 37 3.192 -2.460 -4.964 5 HG SER 37 HG SER 37 3.007 -2.984 -7.024 6 H CYS 38 H CYS 38 4.769 -4.016 -5.355 7 HA CYS 38 HA CYS 38 6.146 -3.654 -2.908 8 1HB CYS 38 2HB CYS 38 5.814 -6.115 -2.858 9 2HB CYS 38 3HB CYS 38 6.687 -6.245 -4.373 10 H CYS 39 H CYS 39 6.226 -4.687 -6.321 11 HA CYS 39 HA CYS 39 7.723 -2.411 -7.189 12 1HB CYS 39 2HB CYS 39 9.763 -3.778 -7.925 13 2HB CYS 39 3HB CYS 39 9.652 -3.405 -6.186 14 HA PRO 40 HA PRO 40 5.840 -4.031 -10.764 15 1HB PRO 40 2HB PRO 40 6.729 -2.236 -12.623 16 2HB PRO 40 3HB PRO 40 5.360 -1.929 -11.574 17 1HG PRO 40 2HG PRO 40 8.100 -0.829 -11.416 18 2HG PRO 40 3HG PRO 40 6.632 -0.234 -10.665 19 1HD PRO 40 2HD PRO 40 8.745 -1.692 -9.385 20 2HD PRO 40 3HD PRO 40 7.226 -1.196 -8.663 21 H CYS 41 H CYS 41 8.700 -4.762 -9.856 22 HA CYS 41 HA CYS 41 9.411 -5.881 -12.471 23 1HB CYS 41 2HB CYS 41 11.746 -5.886 -11.731 24 2HB CYS 41 3HB CYS 41 11.072 -4.272 -11.837 25 H CYS 42 H CYS 42 7.681 -6.674 -9.938 26 HA CYS 42 HA CYS 42 8.540 -9.401 -9.970 27 1HB CYS 42 2HB CYS 42 8.746 -7.781 -7.430 28 2HB CYS 42 3HB CYS 42 8.598 -9.528 -7.437 29 HA PRO 43 HA PRO 43 4.252 -9.748 -9.291 30 1HB PRO 43 2HB PRO 43 4.008 -12.264 -8.252 31 2HB PRO 43 3HB PRO 43 4.226 -11.951 -9.962 32 1HG PRO 43 2HG PRO 43 6.190 -12.966 -7.999 33 2HG PRO 43 3HG PRO 43 6.245 -13.046 -9.749 34 1HD PRO 43 2HD PRO 43 7.722 -11.253 -8.067 35 2HD PRO 43 3HD PRO 43 7.688 -11.258 -9.819 36 H SER 44 H SER 44 2.457 -10.457 -7.637 37 HA SER 44 HA SER 44 3.083 -8.861 -5.377 38 1HB SER 44 2HB SER 44 0.760 -9.048 -4.827 39 2HB SER 44 3HB SER 44 0.833 -8.953 -6.575 40 HG SER 44 HG SER 44 0.700 -11.334 -6.610 41 H GLY 45 H GLY 45 4.944 -10.762 -5.149 42 1HA GLY 45 1HA GLY 45 4.316 -12.085 -2.714 43 2HA GLY 45 2HA GLY 45 4.327 -13.223 -4.047 44 H CYS 46 H CYS 46 6.292 -13.617 -5.250 45 HA CYS 46 HA CYS 46 8.450 -14.077 -5.282 46 1HB CYS 46 2HB CYS 46 8.414 -11.852 -6.314 47 2HB CYS 46 3HB CYS 46 8.675 -11.107 -4.749 48 H THR 47 H THR 47 8.864 -15.452 -3.522 49 HA THR 47 HA THR 47 8.771 -14.792 -0.858 50 HB THR 47 HB THR 47 9.733 -16.948 -2.586 51 HG1 THR 47 1HG THR 47 8.751 -18.025 -0.813 52 1HG2 THR 47 1HG2 THR 47 11.973 -16.343 -1.544 53 2HG2 THR 47 2HG2 THR 47 11.218 -16.518 0.058 54 3HG2 THR 47 3HG2 THR 47 11.358 -17.929 -1.019 55 H LYS 48 H LYS 48 11.116 -13.811 -3.258 56 HA LYS 48 HA LYS 48 13.214 -13.313 -1.408 57 1HB LYS 48 2HB LYS 48 12.734 -13.072 -4.276 58 2HB LYS 48 3HB LYS 48 13.624 -11.700 -3.649 59 1HG LYS 48 2HG LYS 48 14.846 -13.843 -2.344 60 2HG LYS 48 3HG LYS 48 14.468 -14.528 -3.913 61 1HD LYS 48 2HD LYS 48 15.464 -12.132 -4.734 62 2HD LYS 48 3HD LYS 48 16.332 -12.277 -3.218 63 1HE LYS 48 2HE LYS 48 16.664 -14.821 -4.222 64 2HE LYS 48 3HE LYS 48 16.585 -13.903 -5.712 65 1HZ LYS 48 1HZ LYS 48 18.193 -12.495 -3.969 66 2HZ LYS 48 2HZ LYS 48 18.683 -14.052 -3.892 67 3HZ LYS 48 3HZ LYS 48 18.643 -13.279 -5.330 68 H CYS 49 H CYS 49 10.592 -11.431 -2.891 69 HA CYS 49 HA CYS 49 11.356 -9.005 -1.430 70 1HB CYS 49 2HB CYS 49 9.250 -9.755 -3.466 71 2HB CYS 49 3HB CYS 49 9.123 -8.235 -2.546 72 H ALA 50 H ALA 50 9.706 -11.895 -0.668 73 HA ALA 50 HA ALA 50 7.553 -10.751 0.795 74 1HB ALA 50 1HB ALA 50 8.817 -13.490 1.152 75 2HB ALA 50 2HB ALA 50 7.137 -13.003 1.485 76 3HB ALA 50 3HB ALA 50 7.720 -13.099 -0.194 77 H SER 51 H SER 51 10.883 -11.917 1.555 78 HA SER 51 HA SER 51 10.494 -11.247 4.312 79 1HB SER 51 2HB SER 51 12.129 -13.045 2.929 80 2HB SER 51 3HB SER 51 13.257 -11.804 3.436 81 HG SER 51 HG SER 51 11.538 -13.437 5.076 82 H GLY 52 H GLY 52 10.896 -9.422 1.604 83 1HA GLY 52 1HA GLY 52 11.259 -7.014 2.404 84 2HA GLY 52 2HA GLY 52 12.873 -7.582 2.782 85 H CYS 53 H CYS 53 11.230 -5.870 0.523 86 HA CYS 53 HA CYS 53 11.701 -6.929 -1.919 87 1HB CYS 53 2HB CYS 53 10.536 -4.792 -1.425 88 2HB CYS 53 3HB CYS 53 12.089 -4.028 -1.152 89 H VAL 54 H VAL 54 13.577 -7.933 -2.586 90 HA VAL 54 HA VAL 54 16.112 -7.000 -1.568 91 HB VAL 54 HB VAL 54 16.999 -8.975 -2.469 92 1HG1 VAL 54 1HG1 VAL 54 14.176 -9.446 -1.470 93 2HG1 VAL 54 2HG1 VAL 54 15.348 -10.759 -1.740 94 3HG1 VAL 54 3HG1 VAL 54 15.695 -9.489 -0.542 95 1HG2 VAL 54 1HG2 VAL 54 16.059 -10.319 -4.176 96 2HG2 VAL 54 2HG2 VAL 54 14.475 -9.516 -4.050 97 3HG2 VAL 54 3HG2 VAL 54 15.866 -8.640 -4.734 98 H CYS 55 H CYS 55 14.060 -5.876 -3.798 99 HA CYS 55 HA CYS 55 15.908 -5.472 -6.029 100 1HB CYS 55 2HB CYS 55 13.254 -4.077 -5.581 101 2HB CYS 55 3HB CYS 55 14.060 -4.471 -7.119 102 H LYS 56 H LYS 56 15.387 -4.027 -2.932 103 HA LYS 56 HA LYS 56 15.693 -1.333 -3.577 104 1HB LYS 56 2HB LYS 56 15.234 -2.772 -1.303 105 2HB LYS 56 3HB LYS 56 16.894 -2.277 -1.044 106 1HG LYS 56 2HG LYS 56 15.440 -0.015 -2.109 107 2HG LYS 56 3HG LYS 56 14.506 -0.689 -0.789 108 1HD LYS 56 2HD LYS 56 17.486 -0.273 -0.435 109 2HD LYS 56 3HD LYS 56 16.406 1.101 -0.300 110 1HE LYS 56 2HE LYS 56 15.777 -1.436 1.236 111 2HE LYS 56 3HE LYS 56 17.000 -0.342 1.851 112 1HZ LYS 56 1HZ LYS 56 14.327 -0.086 2.171 113 2HZ LYS 56 2HZ LYS 56 15.441 1.069 2.479 114 3HZ LYS 56 3HZ LYS 56 14.671 1.041 1.039 115 H GLY 57 H GLY 57 17.969 -4.043 -3.461 116 1HA GLY 57 1HA GLY 57 20.343 -2.483 -3.297 117 2HA GLY 57 2HA GLY 57 20.198 -4.159 -3.786 118 H LYS 58 H LYS 58 19.646 -4.679 -6.044 119 HA LYS 58 HA LYS 58 20.381 -2.467 -7.830 120 1HB LYS 58 2HB LYS 58 21.308 -4.140 -9.326 121 2HB LYS 58 3HB LYS 58 22.048 -4.261 -7.742 122 1HG LYS 58 2HG LYS 58 19.871 -5.981 -7.496 123 2HG LYS 58 3HG LYS 58 20.325 -6.209 -9.173 124 1HD LYS 58 2HD LYS 58 22.421 -6.262 -6.971 125 2HD LYS 58 3HD LYS 58 21.487 -7.693 -7.354 126 1HE LYS 58 2HE LYS 58 23.274 -8.023 -8.802 127 2HE LYS 58 3HE LYS 58 22.220 -7.113 -9.865 128 1HZ LYS 58 1HZ LYS 58 23.471 -5.242 -9.609 129 2HZ LYS 58 2HZ LYS 58 24.073 -5.666 -8.152 130 3HZ LYS 58 3HZ LYS 58 24.641 -6.377 -9.508 131 H THR 59 H THR 59 19.545 -3.310 -10.251 132 HA THR 59 HA THR 59 16.871 -2.728 -10.306 133 HB THR 59 HB THR 59 18.830 -4.120 -12.156 134 HG1 THR 59 1HG THR 59 18.892 -1.966 -12.653 135 1HG2 THR 59 1HG2 THR 59 16.550 -3.363 -13.665 136 2HG2 THR 59 2HG2 THR 59 17.136 -5.023 -13.401 137 3HG2 THR 59 3HG2 THR 59 15.906 -4.331 -12.317 138 H CYS 60 H CYS 60 17.484 -5.899 -11.703 139 HA CYS 60 HA CYS 60 16.501 -7.471 -9.652 140 1HB CYS 60 2HB CYS 60 14.449 -6.025 -10.081 141 2HB CYS 60 3HB CYS 60 14.310 -6.834 -11.628 142 H ASP 61 H ASP 61 18.309 -8.634 -10.646 143 HA ASP 61 HA ASP 61 17.518 -9.869 -13.167 144 1HB ASP 61 2HB ASP 61 19.925 -10.058 -13.723 145 2HB ASP 61 3HB ASP 61 19.460 -8.383 -13.498 146 H THR 62 H THR 62 19.639 -11.827 -13.194 147 HA THR 62 HA THR 62 18.608 -13.779 -11.476 148 HB THR 62 HB THR 62 20.675 -13.458 -13.549 149 HG1 THR 62 1HG THR 62 18.706 -14.728 -13.704 150 1HG2 THR 62 1HG2 THR 62 22.189 -14.147 -11.638 151 2HG2 THR 62 2HG2 THR 62 21.125 -15.545 -11.351 152 3HG2 THR 62 3HG2 THR 62 22.029 -15.412 -12.879 153 H SER 63 H SER 63 20.607 -11.102 -10.764 154 HA SER 63 HA SER 63 21.688 -12.522 -8.463 155 1HB SER 63 2HB SER 63 23.214 -11.232 -10.116 156 2HB SER 63 3HB SER 63 22.530 -9.767 -9.439 157 HG SER 63 HG SER 63 24.418 -11.514 -8.358 158 H CYS 64 H CYS 64 18.868 -11.396 -8.931 159 HA CYS 64 HA CYS 64 18.857 -9.702 -6.547 160 1HB CYS 64 2HB CYS 64 18.536 -8.406 -8.706 161 2HB CYS 64 3HB CYS 64 17.021 -9.263 -8.902 162 H CYS 65 H CYS 65 16.346 -10.908 -8.783 163 HA CYS 65 HA CYS 65 15.316 -12.679 -6.616 164 1HB CYS 65 2HB CYS 65 13.736 -11.017 -8.621 165 2HB CYS 65 3HB CYS 65 13.044 -12.137 -7.422 166 H GLN 66 H GLN 66 16.145 -12.201 -10.047 167 HA GLN 66 HA GLN 66 14.804 -14.568 -10.848 168 1HB GLN 66 2HB GLN 66 17.036 -13.369 -12.474 169 2HB GLN 66 3HB GLN 66 15.504 -14.027 -13.011 170 1HG GLN 66 2HG GLN 66 16.029 -11.326 -11.717 171 2HG GLN 66 3HG GLN 66 15.318 -11.650 -13.286 172 1HE2 GLN 66 1HE2 GLN 66 13.500 -13.595 -12.775 173 2HE2 GLN 66 2HE2 GLN 66 12.241 -13.026 -11.731 Start of MODEL 16 1 H SER 37 H SER 37 1.582 -3.302 -2.917 2 HA SER 37 HA SER 37 2.416 -5.645 -4.382 3 1HB SER 37 2HB SER 37 2.677 -4.419 -6.490 4 2HB SER 37 3HB SER 37 1.004 -4.361 -5.972 5 HG SER 37 HG SER 37 2.990 -2.271 -5.727 6 H CYS 38 H CYS 38 4.501 -5.940 -3.688 7 HA CYS 38 HA CYS 38 5.968 -4.093 -2.316 8 1HB CYS 38 2HB CYS 38 6.401 -6.527 -2.407 9 2HB CYS 38 3HB CYS 38 7.033 -6.347 -4.031 10 H CYS 39 H CYS 39 6.823 -5.250 -5.599 11 HA CYS 39 HA CYS 39 7.286 -2.451 -6.470 12 1HB CYS 39 2HB CYS 39 9.428 -3.291 -7.560 13 2HB CYS 39 3HB CYS 39 9.474 -3.177 -5.784 14 HA PRO 40 HA PRO 40 5.318 -4.044 -10.004 15 1HB PRO 40 2HB PRO 40 5.813 -2.049 -11.806 16 2HB PRO 40 3HB PRO 40 4.530 -1.968 -10.614 17 1HG PRO 40 2HG PRO 40 7.134 -0.568 -10.633 18 2HG PRO 40 3HG PRO 40 5.693 -0.193 -9.709 19 1HD PRO 40 2HD PRO 40 8.071 -1.470 -8.738 20 2HD PRO 40 3HD PRO 40 6.588 -1.199 -7.846 21 H CYS 41 H CYS 41 8.328 -4.474 -9.423 22 HA CYS 41 HA CYS 41 8.935 -5.266 -12.178 23 1HB CYS 41 2HB CYS 41 10.975 -4.443 -11.963 24 2HB CYS 41 3HB CYS 41 10.418 -3.651 -10.503 25 H CYS 42 H CYS 42 7.485 -6.460 -9.562 26 HA CYS 42 HA CYS 42 8.603 -9.095 -9.985 27 1HB CYS 42 2HB CYS 42 8.661 -7.655 -7.352 28 2HB CYS 42 3HB CYS 42 8.443 -9.393 -7.392 29 HA PRO 43 HA PRO 43 4.387 -10.078 -9.504 30 1HB PRO 43 2HB PRO 43 4.426 -12.639 -8.552 31 2HB PRO 43 3HB PRO 43 4.692 -12.239 -10.237 32 1HG PRO 43 2HG PRO 43 6.665 -13.055 -8.193 33 2HG PRO 43 3HG PRO 43 6.825 -13.065 -9.938 34 1HD PRO 43 2HD PRO 43 7.956 -11.155 -8.122 35 2HD PRO 43 3HD PRO 43 8.018 -11.101 -9.872 36 H SER 44 H SER 44 2.531 -10.697 -8.082 37 HA SER 44 HA SER 44 2.879 -9.258 -5.706 38 1HB SER 44 2HB SER 44 0.731 -9.442 -6.997 39 2HB SER 44 3HB SER 44 0.604 -11.122 -6.517 40 HG SER 44 HG SER 44 -0.619 -10.024 -5.014 41 H GLY 45 H GLY 45 4.882 -10.847 -5.237 42 1HA GLY 45 1HA GLY 45 4.264 -12.301 -2.928 43 2HA GLY 45 2HA GLY 45 4.383 -13.437 -4.257 44 H CYS 46 H CYS 46 6.406 -13.656 -5.444 45 HA CYS 46 HA CYS 46 8.588 -13.957 -5.456 46 1HB CYS 46 2HB CYS 46 8.339 -11.587 -6.250 47 2HB CYS 46 3HB CYS 46 8.749 -11.053 -4.633 48 H THR 47 H THR 47 9.141 -15.407 -3.819 49 HA THR 47 HA THR 47 8.926 -14.874 -1.089 50 HB THR 47 HB THR 47 9.866 -16.972 -2.900 51 HG1 THR 47 1HG THR 47 8.715 -18.047 -1.287 52 1HG2 THR 47 1HG2 THR 47 11.488 -18.034 -1.421 53 2HG2 THR 47 2HG2 THR 47 12.096 -16.396 -1.759 54 3HG2 THR 47 3HG2 THR 47 11.300 -16.746 -0.207 55 H LYS 48 H LYS 48 11.261 -13.785 -3.434 56 HA LYS 48 HA LYS 48 13.385 -13.426 -1.579 57 1HB LYS 48 2HB LYS 48 12.842 -12.398 -4.372 58 2HB LYS 48 3HB LYS 48 14.276 -11.957 -3.468 59 1HG LYS 48 2HG LYS 48 15.261 -13.915 -4.034 60 2HG LYS 48 3HG LYS 48 13.983 -14.807 -3.232 61 1HD LYS 48 2HD LYS 48 12.656 -14.932 -5.233 62 2HD LYS 48 3HD LYS 48 13.588 -13.680 -6.030 63 1HE LYS 48 2HE LYS 48 14.412 -16.548 -5.448 64 2HE LYS 48 3HE LYS 48 14.354 -15.732 -6.997 65 1HZ LYS 48 1HZ LYS 48 16.091 -14.211 -5.936 66 2HZ LYS 48 2HZ LYS 48 16.311 -15.419 -4.861 67 3HZ LYS 48 3HZ LYS 48 16.561 -15.687 -6.453 68 H CYS 49 H CYS 49 10.858 -11.359 -3.012 69 HA CYS 49 HA CYS 49 11.639 -9.057 -1.393 70 1HB CYS 49 2HB CYS 49 9.465 -9.661 -3.413 71 2HB CYS 49 3HB CYS 49 9.433 -8.171 -2.440 72 H ALA 50 H ALA 50 9.917 -11.957 -0.790 73 HA ALA 50 HA ALA 50 7.722 -11.042 0.639 74 1HB ALA 50 1HB ALA 50 9.286 -13.516 0.318 75 2HB ALA 50 2HB ALA 50 8.531 -13.363 1.922 76 3HB ALA 50 3HB ALA 50 7.526 -13.287 0.455 77 H SER 51 H SER 51 11.188 -11.213 1.440 78 HA SER 51 HA SER 51 10.654 -10.687 4.202 79 1HB SER 51 2HB SER 51 12.761 -11.854 2.791 80 2HB SER 51 3HB SER 51 13.426 -10.299 3.249 81 HG SER 51 HG SER 51 13.593 -12.230 4.808 82 H GLY 52 H GLY 52 10.436 -8.854 1.452 83 1HA GLY 52 1HA GLY 52 10.030 -6.434 2.390 84 2HA GLY 52 2HA GLY 52 11.779 -6.472 2.491 85 H CYS 53 H CYS 53 13.069 -6.486 0.574 86 HA CYS 53 HA CYS 53 11.938 -6.826 -1.971 87 1HB CYS 53 2HB CYS 53 10.874 -4.673 -1.479 88 2HB CYS 53 3HB CYS 53 12.441 -3.955 -1.160 89 H VAL 54 H VAL 54 13.714 -7.843 -2.840 90 HA VAL 54 HA VAL 54 16.346 -7.098 -1.915 91 HB VAL 54 HB VAL 54 16.966 -9.146 -2.578 92 1HG1 VAL 54 1HG1 VAL 54 14.047 -9.791 -2.984 93 2HG1 VAL 54 2HG1 VAL 54 15.317 -10.759 -2.199 94 3HG1 VAL 54 3HG1 VAL 54 14.669 -9.315 -1.386 95 1HG2 VAL 54 1HG2 VAL 54 15.401 -8.536 -5.061 96 2HG2 VAL 54 2HG2 VAL 54 17.104 -9.020 -4.871 97 3HG2 VAL 54 3HG2 VAL 54 15.809 -10.231 -4.700 98 H CYS 55 H CYS 55 14.222 -5.799 -4.005 99 HA CYS 55 HA CYS 55 16.064 -5.299 -6.239 100 1HB CYS 55 2HB CYS 55 13.358 -4.011 -5.803 101 2HB CYS 55 3HB CYS 55 14.194 -4.369 -7.335 102 H LYS 56 H LYS 56 15.425 -3.980 -3.105 103 HA LYS 56 HA LYS 56 15.654 -1.254 -3.681 104 1HB LYS 56 2HB LYS 56 15.124 -2.747 -1.464 105 2HB LYS 56 3HB LYS 56 16.762 -2.233 -1.115 106 1HG LYS 56 2HG LYS 56 15.699 0.130 -2.037 107 2HG LYS 56 3HG LYS 56 14.268 -0.601 -1.339 108 1HD LYS 56 2HD LYS 56 15.240 -0.729 0.839 109 2HD LYS 56 3HD LYS 56 16.871 -0.542 0.224 110 1HE LYS 56 2HE LYS 56 15.689 1.800 -0.669 111 2HE LYS 56 3HE LYS 56 14.830 1.539 0.835 112 1HZ LYS 56 1HZ LYS 56 17.406 1.015 1.453 113 2HZ LYS 56 2HZ LYS 56 17.529 2.285 0.433 114 3HZ LYS 56 3HZ LYS 56 16.611 2.404 1.779 115 H GLY 57 H GLY 57 18.020 -3.893 -3.436 116 1HA GLY 57 1HA GLY 57 20.298 -2.140 -3.285 117 2HA GLY 57 2HA GLY 57 20.291 -3.878 -3.510 118 H LYS 58 H LYS 58 20.064 -4.791 -5.655 119 HA LYS 58 HA LYS 58 20.960 -2.930 -7.697 120 1HB LYS 58 2HB LYS 58 21.633 -4.878 -8.925 121 2HB LYS 58 3HB LYS 58 22.192 -5.042 -7.272 122 1HG LYS 58 2HG LYS 58 19.565 -6.173 -7.338 123 2HG LYS 58 3HG LYS 58 20.388 -6.768 -8.767 124 1HD LYS 58 2HD LYS 58 21.224 -8.343 -7.321 125 2HD LYS 58 3HD LYS 58 22.391 -7.093 -6.938 126 1HE LYS 58 2HE LYS 58 21.265 -6.468 -4.937 127 2HE LYS 58 3HE LYS 58 19.749 -7.182 -5.449 128 1HZ LYS 58 1HZ LYS 58 22.112 -8.853 -5.042 129 2HZ LYS 58 2HZ LYS 58 21.158 -8.434 -3.786 130 3HZ LYS 58 3HZ LYS 58 20.540 -9.292 -5.029 131 H THR 59 H THR 59 20.027 -3.791 -10.041 132 HA THR 59 HA THR 59 17.410 -2.827 -10.118 133 HB THR 59 HB THR 59 19.343 -4.211 -11.985 134 HG1 THR 59 1HG THR 59 19.008 -2.111 -12.959 135 1HG2 THR 59 1HG2 THR 59 17.177 -3.375 -13.571 136 2HG2 THR 59 2HG2 THR 59 17.640 -5.065 -13.265 137 3HG2 THR 59 3HG2 THR 59 16.401 -4.286 -12.254 138 H CYS 60 H CYS 60 17.915 -6.011 -11.595 139 HA CYS 60 HA CYS 60 16.655 -7.550 -9.681 140 1HB CYS 60 2HB CYS 60 14.771 -5.879 -10.387 141 2HB CYS 60 3HB CYS 60 14.648 -6.892 -11.811 142 H ASP 61 H ASP 61 18.542 -8.706 -10.626 143 HA ASP 61 HA ASP 61 17.854 -9.858 -13.216 144 1HB ASP 61 2HB ASP 61 20.291 -10.208 -13.557 145 2HB ASP 61 3HB ASP 61 19.910 -8.511 -13.343 146 H THR 62 H THR 62 19.729 -11.996 -13.194 147 HA THR 62 HA THR 62 18.457 -13.889 -11.588 148 HB THR 62 HB THR 62 20.670 -13.694 -13.526 149 HG1 THR 62 1HG THR 62 19.558 -15.646 -14.104 150 1HG2 THR 62 1HG2 THR 62 20.767 -15.882 -11.382 151 2HG2 THR 62 2HG2 THR 62 21.761 -15.814 -12.857 152 3HG2 THR 62 3HG2 THR 62 21.991 -14.603 -11.572 153 H SER 63 H SER 63 20.687 -11.440 -10.706 154 HA SER 63 HA SER 63 21.491 -13.009 -8.392 155 1HB SER 63 2HB SER 63 23.197 -11.792 -9.944 156 2HB SER 63 3HB SER 63 22.634 -10.311 -9.194 157 HG SER 63 HG SER 63 23.423 -10.960 -7.203 158 H CYS 64 H CYS 64 18.815 -11.615 -8.963 159 HA CYS 64 HA CYS 64 18.836 -9.975 -6.540 160 1HB CYS 64 2HB CYS 64 18.715 -8.622 -8.682 161 2HB CYS 64 3HB CYS 64 17.148 -9.353 -8.965 162 H CYS 65 H CYS 65 16.406 -11.053 -8.942 163 HA CYS 65 HA CYS 65 15.152 -12.777 -6.865 164 1HB CYS 65 2HB CYS 65 13.712 -10.902 -8.787 165 2HB CYS 65 3HB CYS 65 12.946 -11.993 -7.605 166 H GLN 66 H GLN 66 16.116 -12.182 -10.230 167 HA GLN 66 HA GLN 66 14.561 -14.330 -11.229 168 1HB GLN 66 2HB GLN 66 16.984 -13.304 -12.691 169 2HB GLN 66 3HB GLN 66 15.410 -13.741 -13.324 170 1HG GLN 66 2HG GLN 66 16.206 -11.200 -11.863 171 2HG GLN 66 3HG GLN 66 15.484 -11.355 -13.451 172 1HE2 GLN 66 1HE2 GLN 66 13.462 -13.147 -13.010 173 2HE2 GLN 66 2HE2 GLN 66 12.257 -12.472 -11.964 Start of MODEL 17 1 H SER 37 H SER 37 1.611 -4.977 -2.915 2 HA SER 37 HA SER 37 3.389 -5.788 -3.864 3 1HB SER 37 2HB SER 37 2.147 -4.972 -6.012 4 2HB SER 37 3HB SER 37 3.313 -3.664 -6.036 5 HG SER 37 HG SER 37 5.024 -5.179 -6.221 6 H CYS 38 H CYS 38 5.782 -5.311 -4.266 7 HA CYS 38 HA CYS 38 6.488 -2.924 -2.746 8 1HB CYS 38 2HB CYS 38 8.752 -4.138 -2.626 9 2HB CYS 38 3HB CYS 38 7.421 -4.709 -1.639 10 H CYS 39 H CYS 39 7.503 -4.938 -5.536 11 HA CYS 39 HA CYS 39 8.295 -2.466 -6.982 12 1HB CYS 39 2HB CYS 39 10.293 -3.670 -7.834 13 2HB CYS 39 3HB CYS 39 10.341 -3.478 -6.063 14 HA PRO 40 HA PRO 40 5.932 -4.451 -10.053 15 1HB PRO 40 2HB PRO 40 6.451 -2.813 -12.179 16 2HB PRO 40 3HB PRO 40 5.251 -2.445 -10.955 17 1HG PRO 40 2HG PRO 40 7.937 -1.269 -11.330 18 2HG PRO 40 3HG PRO 40 6.584 -0.643 -10.410 19 1HD PRO 40 2HD PRO 40 8.925 -1.925 -9.361 20 2HD PRO 40 3HD PRO 40 7.520 -1.403 -8.454 21 H CYS 41 H CYS 41 9.120 -4.684 -9.732 22 HA CYS 41 HA CYS 41 9.541 -5.923 -12.318 23 1HB CYS 41 2HB CYS 41 11.657 -5.345 -12.063 24 2HB CYS 41 3HB CYS 41 11.174 -4.456 -10.632 25 H CYS 42 H CYS 42 8.092 -6.727 -9.435 26 HA CYS 42 HA CYS 42 8.800 -9.533 -9.801 27 1HB CYS 42 2HB CYS 42 8.944 -7.959 -7.250 28 2HB CYS 42 3HB CYS 42 8.515 -9.658 -7.202 29 HA PRO 43 HA PRO 43 4.483 -9.985 -9.446 30 1HB PRO 43 2HB PRO 43 4.188 -12.486 -8.384 31 2HB PRO 43 3HB PRO 43 4.554 -12.200 -10.073 32 1HG PRO 43 2HG PRO 43 6.348 -13.144 -7.923 33 2HG PRO 43 3HG PRO 43 6.562 -13.254 -9.658 34 1HD PRO 43 2HD PRO 43 7.853 -11.407 -7.885 35 2HD PRO 43 3HD PRO 43 7.977 -11.443 -9.633 36 H SER 44 H SER 44 2.558 -10.696 -7.947 37 HA SER 44 HA SER 44 2.945 -9.044 -5.675 38 1HB SER 44 2HB SER 44 0.815 -9.084 -6.954 39 2HB SER 44 3HB SER 44 0.571 -10.764 -6.523 40 HG SER 44 HG SER 44 0.099 -10.227 -4.436 41 H GLY 45 H GLY 45 4.825 -10.885 -5.235 42 1HA GLY 45 1HA GLY 45 4.056 -12.145 -2.822 43 2HA GLY 45 2HA GLY 45 4.129 -13.333 -4.109 44 H CYS 46 H CYS 46 6.149 -13.831 -5.143 45 HA CYS 46 HA CYS 46 8.305 -14.261 -5.092 46 1HB CYS 46 2HB CYS 46 8.299 -11.987 -6.086 47 2HB CYS 46 3HB CYS 46 8.589 -11.309 -4.496 48 H THR 47 H THR 47 8.729 -15.629 -3.353 49 HA THR 47 HA THR 47 8.466 -14.926 -0.671 50 HB THR 47 HB THR 47 9.369 -17.165 -2.326 51 HG1 THR 47 1HG THR 47 7.532 -16.958 -0.778 52 1HG2 THR 47 1HG2 THR 47 10.763 -18.204 -0.474 53 2HG2 THR 47 2HG2 THR 47 11.593 -16.867 -1.308 54 3HG2 THR 47 3HG2 THR 47 10.858 -16.599 0.290 55 H LYS 48 H LYS 48 10.870 -13.993 -2.984 56 HA LYS 48 HA LYS 48 12.958 -13.634 -1.066 57 1HB LYS 48 2HB LYS 48 12.577 -13.334 -3.963 58 2HB LYS 48 3HB LYS 48 13.588 -12.083 -3.269 59 1HG LYS 48 2HG LYS 48 14.467 -14.447 -2.002 60 2HG LYS 48 3HG LYS 48 14.165 -14.942 -3.656 61 1HD LYS 48 2HD LYS 48 15.472 -12.640 -4.194 62 2HD LYS 48 3HD LYS 48 16.150 -12.934 -2.604 63 1HE LYS 48 2HE LYS 48 17.458 -13.941 -4.567 64 2HE LYS 48 3HE LYS 48 17.081 -15.050 -3.263 65 1HZ LYS 48 1HZ LYS 48 15.110 -14.861 -5.350 66 2HZ LYS 48 2HZ LYS 48 16.528 -15.545 -5.781 67 3HZ LYS 48 3HZ LYS 48 15.658 -16.175 -4.550 68 H CYS 49 H CYS 49 10.459 -11.661 -2.630 69 HA CYS 49 HA CYS 49 11.297 -9.260 -1.149 70 1HB CYS 49 2HB CYS 49 9.249 -9.881 -3.292 71 2HB CYS 49 3HB CYS 49 9.218 -8.340 -2.400 72 H ALA 50 H ALA 50 9.424 -12.051 -0.517 73 HA ALA 50 HA ALA 50 7.164 -10.978 0.688 74 1HB ALA 50 1HB ALA 50 7.095 -13.277 0.364 75 2HB ALA 50 2HB ALA 50 8.767 -13.515 0.926 76 3HB ALA 50 3HB ALA 50 7.470 -13.197 2.102 77 H SER 51 H SER 51 10.555 -11.096 1.697 78 HA SER 51 HA SER 51 9.870 -10.480 4.409 79 1HB SER 51 2HB SER 51 12.056 -11.683 3.164 80 2HB SER 51 3HB SER 51 12.685 -10.102 3.584 81 HG SER 51 HG SER 51 12.049 -10.465 5.793 82 H GLY 52 H GLY 52 9.827 -8.765 1.561 83 1HA GLY 52 1HA GLY 52 9.307 -6.321 2.321 84 2HA GLY 52 2HA GLY 52 11.031 -6.316 2.636 85 H CYS 53 H CYS 53 12.550 -6.723 0.834 86 HA CYS 53 HA CYS 53 11.710 -7.057 -1.785 87 1HB CYS 53 2HB CYS 53 10.693 -4.793 -1.375 88 2HB CYS 53 3HB CYS 53 12.315 -4.158 -1.180 89 H VAL 54 H VAL 54 13.548 -8.109 -2.458 90 HA VAL 54 HA VAL 54 16.078 -7.376 -1.257 91 HB VAL 54 HB VAL 54 16.763 -9.457 -1.799 92 1HG1 VAL 54 1HG1 VAL 54 14.318 -9.448 -0.763 93 2HG1 VAL 54 2HG1 VAL 54 13.917 -10.238 -2.307 94 3HG1 VAL 54 3HG1 VAL 54 15.128 -10.965 -1.225 95 1HG2 VAL 54 1HG2 VAL 54 15.722 -10.693 -3.868 96 2HG2 VAL 54 2HG2 VAL 54 15.245 -9.051 -4.361 97 3HG2 VAL 54 3HG2 VAL 54 16.964 -9.439 -4.105 98 H CYS 55 H CYS 55 14.232 -6.144 -3.619 99 HA CYS 55 HA CYS 55 16.344 -5.789 -5.645 100 1HB CYS 55 2HB CYS 55 13.561 -4.577 -5.620 101 2HB CYS 55 3HB CYS 55 14.620 -4.892 -7.017 102 H LYS 56 H LYS 56 15.457 -4.356 -2.676 103 HA LYS 56 HA LYS 56 15.458 -1.669 -3.183 104 1HB LYS 56 2HB LYS 56 15.436 -3.270 -0.960 105 2HB LYS 56 3HB LYS 56 17.005 -2.502 -0.809 106 1HG LYS 56 2HG LYS 56 14.489 -0.894 -1.413 107 2HG LYS 56 3HG LYS 56 14.967 -1.271 0.230 108 1HD LYS 56 2HD LYS 56 17.287 -0.275 -1.192 109 2HD LYS 56 3HD LYS 56 15.955 0.832 -1.462 110 1HE LYS 56 2HE LYS 56 16.099 -0.059 1.347 111 2HE LYS 56 3HE LYS 56 17.580 0.720 0.829 112 1HZ LYS 56 1HZ LYS 56 16.082 2.500 -0.080 113 2HZ LYS 56 2HZ LYS 56 14.871 1.825 0.783 114 3HZ LYS 56 3HZ LYS 56 16.189 2.412 1.546 115 H GLY 57 H GLY 57 18.020 -3.999 -3.644 116 1HA GLY 57 1HA GLY 57 20.212 -2.179 -3.460 117 2HA GLY 57 2HA GLY 57 20.210 -3.786 -4.159 118 H LYS 58 H LYS 58 20.044 -4.064 -6.396 119 HA LYS 58 HA LYS 58 19.882 -1.557 -7.914 120 1HB LYS 58 2HB LYS 58 21.339 -2.519 -9.525 121 2HB LYS 58 3HB LYS 58 22.058 -2.807 -7.954 122 1HG LYS 58 2HG LYS 58 20.850 -5.110 -8.002 123 2HG LYS 58 3HG LYS 58 20.554 -4.796 -9.702 124 1HD LYS 58 2HD LYS 58 23.371 -4.352 -8.813 125 2HD LYS 58 3HD LYS 58 22.823 -6.014 -8.722 126 1HE LYS 58 2HE LYS 58 23.239 -6.182 -10.948 127 2HE LYS 58 3HE LYS 58 21.856 -5.140 -11.219 128 1HZ LYS 58 1HZ LYS 58 23.835 -4.255 -12.222 129 2HZ LYS 58 2HZ LYS 58 23.322 -3.246 -11.045 130 3HZ LYS 58 3HZ LYS 58 24.611 -4.213 -10.786 131 H THR 59 H THR 59 19.356 -2.487 -10.444 132 HA THR 59 HA THR 59 16.702 -2.639 -10.642 133 HB THR 59 HB THR 59 18.977 -3.812 -12.272 134 HG1 THR 59 1HG THR 59 18.410 -1.493 -12.197 135 1HG2 THR 59 1HG2 THR 59 17.477 -5.229 -13.305 136 2HG2 THR 59 2HG2 THR 59 16.076 -4.443 -12.538 137 3HG2 THR 59 3HG2 THR 59 16.805 -3.734 -13.999 138 H CYS 60 H CYS 60 18.093 -5.762 -11.560 139 HA CYS 60 HA CYS 60 17.765 -7.516 -9.773 140 1HB CYS 60 2HB CYS 60 15.917 -6.692 -8.615 141 2HB CYS 60 3HB CYS 60 15.014 -6.351 -10.078 142 H ASP 61 H ASP 61 18.640 -8.899 -11.320 143 HA ASP 61 HA ASP 61 16.842 -10.126 -13.093 144 1HB ASP 61 2HB ASP 61 17.922 -9.542 -15.212 145 2HB ASP 61 3HB ASP 61 17.370 -8.078 -14.422 146 H THR 62 H THR 62 17.563 -12.203 -12.555 147 HA THR 62 HA THR 62 18.909 -13.948 -12.258 148 HB THR 62 HB THR 62 20.600 -12.284 -14.187 149 HG1 THR 62 1HG THR 62 18.971 -14.725 -14.317 150 1HG2 THR 62 1HG2 THR 62 20.963 -15.140 -13.158 151 2HG2 THR 62 2HG2 THR 62 21.607 -14.599 -14.727 152 3HG2 THR 62 3HG2 THR 62 22.186 -13.848 -13.221 153 H SER 63 H SER 63 20.540 -10.782 -11.822 154 HA SER 63 HA SER 63 22.314 -11.983 -9.914 155 1HB SER 63 2HB SER 63 22.956 -10.122 -11.557 156 2HB SER 63 3HB SER 63 21.991 -9.030 -10.585 157 HG SER 63 HG SER 63 24.209 -8.951 -9.933 158 H CYS 64 H CYS 64 19.188 -11.603 -9.675 159 HA CYS 64 HA CYS 64 19.339 -10.658 -6.930 160 1HB CYS 64 2HB CYS 64 18.542 -8.842 -8.641 161 2HB CYS 64 3HB CYS 64 17.041 -9.745 -8.627 162 H CYS 65 H CYS 65 16.265 -10.734 -7.150 163 HA CYS 65 HA CYS 65 15.669 -13.151 -6.046 164 1HB CYS 65 2HB CYS 65 13.965 -11.679 -8.098 165 2HB CYS 65 3HB CYS 65 13.379 -12.835 -6.876 166 H GLN 66 H GLN 66 16.506 -12.542 -9.460 167 HA GLN 66 HA GLN 66 15.755 -15.292 -10.027 168 1HB GLN 66 2HB GLN 66 16.713 -13.888 -12.363 169 2HB GLN 66 3HB GLN 66 15.112 -14.528 -12.051 170 1HG GLN 66 2HG GLN 66 16.142 -11.812 -11.099 171 2HG GLN 66 3HG GLN 66 15.067 -12.065 -12.459 172 1HE2 GLN 66 1HE2 GLN 66 13.859 -10.494 -11.050 173 2HE2 GLN 66 2HE2 GLN 66 12.730 -11.139 -9.905 Start of MODEL 18 1 H SER 37 H SER 37 1.906 -3.426 -3.470 2 HA SER 37 HA SER 37 2.657 -5.063 -5.632 3 1HB SER 37 2HB SER 37 1.701 -2.332 -6.208 4 2HB SER 37 3HB SER 37 3.327 -2.608 -6.798 5 HG SER 37 HG SER 37 1.020 -4.270 -7.362 6 H CYS 38 H CYS 38 4.417 -5.680 -4.322 7 HA CYS 38 HA CYS 38 5.893 -3.968 -2.750 8 1HB CYS 38 2HB CYS 38 5.926 -6.409 -2.558 9 2HB CYS 38 3HB CYS 38 6.765 -6.535 -4.092 10 H CYS 39 H CYS 39 6.089 -4.881 -6.162 11 HA CYS 39 HA CYS 39 7.469 -2.499 -6.923 12 1HB CYS 39 2HB CYS 39 9.552 -3.773 -7.763 13 2HB CYS 39 3HB CYS 39 9.467 -3.413 -6.021 14 HA PRO 40 HA PRO 40 5.647 -4.006 -10.574 15 1HB PRO 40 2HB PRO 40 6.502 -2.123 -12.361 16 2HB PRO 40 3HB PRO 40 5.128 -1.884 -11.300 17 1HG PRO 40 2HG PRO 40 7.846 -0.741 -11.097 18 2HG PRO 40 3HG PRO 40 6.369 -0.202 -10.324 19 1HD PRO 40 2HD PRO 40 8.508 -1.670 -9.101 20 2HD PRO 40 3HD PRO 40 6.980 -1.233 -8.363 21 H CYS 41 H CYS 41 8.529 -4.707 -9.697 22 HA CYS 41 HA CYS 41 9.252 -5.720 -12.351 23 1HB CYS 41 2HB CYS 41 11.592 -5.702 -11.614 24 2HB CYS 41 3HB CYS 41 10.883 -4.101 -11.681 25 H CYS 42 H CYS 42 7.552 -6.639 -9.843 26 HA CYS 42 HA CYS 42 8.482 -9.341 -9.964 27 1HB CYS 42 2HB CYS 42 8.634 -7.805 -7.369 28 2HB CYS 42 3HB CYS 42 8.548 -9.553 -7.441 29 HA PRO 43 HA PRO 43 4.207 -9.835 -9.293 30 1HB PRO 43 2HB PRO 43 4.034 -12.372 -8.293 31 2HB PRO 43 3HB PRO 43 4.248 -12.026 -9.998 32 1HG PRO 43 2HG PRO 43 6.234 -13.013 -8.044 33 2HG PRO 43 3HG PRO 43 6.297 -13.064 -9.795 34 1HD PRO 43 2HD PRO 43 7.716 -11.256 -8.080 35 2HD PRO 43 3HD PRO 43 7.688 -11.234 -9.831 36 H SER 44 H SER 44 2.396 -10.445 -7.708 37 HA SER 44 HA SER 44 2.995 -8.936 -5.402 38 1HB SER 44 2HB SER 44 0.582 -9.794 -4.779 39 2HB SER 44 3HB SER 44 0.786 -8.652 -6.092 40 HG SER 44 HG SER 44 0.901 -11.446 -6.693 41 H GLY 45 H GLY 45 4.879 -10.775 -5.130 42 1HA GLY 45 1HA GLY 45 4.229 -12.156 -2.740 43 2HA GLY 45 2HA GLY 45 4.281 -13.276 -4.088 44 H CYS 46 H CYS 46 6.275 -13.604 -5.276 45 HA CYS 46 HA CYS 46 8.440 -14.043 -5.259 46 1HB CYS 46 2HB CYS 46 8.339 -11.786 -6.268 47 2HB CYS 46 3HB CYS 46 8.653 -11.077 -4.697 48 H THR 47 H THR 47 8.803 -15.412 -3.474 49 HA THR 47 HA THR 47 8.694 -14.693 -0.813 50 HB THR 47 HB THR 47 10.714 -16.703 -1.203 51 HG1 THR 47 1HG THR 47 10.185 -17.046 -3.352 52 1HG2 THR 47 1HG2 THR 47 8.258 -18.044 -1.128 53 2HG2 THR 47 2HG2 THR 47 9.199 -17.555 0.301 54 3HG2 THR 47 3HG2 THR 47 7.895 -16.507 -0.306 55 H LYS 48 H LYS 48 11.078 -13.842 -3.223 56 HA LYS 48 HA LYS 48 13.196 -13.392 -1.390 57 1HB LYS 48 2HB LYS 48 12.696 -13.121 -4.260 58 2HB LYS 48 3HB LYS 48 13.671 -11.811 -3.626 59 1HG LYS 48 2HG LYS 48 14.788 -14.018 -2.352 60 2HG LYS 48 3HG LYS 48 14.333 -14.693 -3.904 61 1HD LYS 48 2HD LYS 48 15.457 -12.286 -4.681 62 2HD LYS 48 3HD LYS 48 16.412 -12.659 -3.260 63 1HE LYS 48 2HE LYS 48 16.359 -15.124 -4.506 64 2HE LYS 48 3HE LYS 48 16.310 -14.056 -5.894 65 1HZ LYS 48 1HZ LYS 48 18.372 -13.354 -5.494 66 2HZ LYS 48 2HZ LYS 48 18.201 -13.313 -3.871 67 3HZ LYS 48 3HZ LYS 48 18.529 -14.726 -4.622 68 H CYS 49 H CYS 49 10.585 -11.464 -2.815 69 HA CYS 49 HA CYS 49 11.455 -9.031 -1.428 70 1HB CYS 49 2HB CYS 49 9.281 -9.782 -3.384 71 2HB CYS 49 3HB CYS 49 9.159 -8.265 -2.456 72 H ALA 50 H ALA 50 9.729 -11.876 -0.588 73 HA ALA 50 HA ALA 50 7.701 -10.642 0.979 74 1HB ALA 50 1HB ALA 50 7.512 -12.923 0.055 75 2HB ALA 50 2HB ALA 50 8.897 -13.443 1.044 76 3HB ALA 50 3HB ALA 50 7.382 -12.940 1.830 77 H SER 51 H SER 51 11.011 -11.951 1.575 78 HA SER 51 HA SER 51 10.785 -11.309 4.352 79 1HB SER 51 2HB SER 51 12.310 -13.109 2.850 80 2HB SER 51 3HB SER 51 13.488 -11.902 3.325 81 HG SER 51 HG SER 51 13.487 -13.299 5.038 82 H GLY 52 H GLY 52 11.098 -9.446 1.653 83 1HA GLY 52 1HA GLY 52 11.542 -7.058 2.468 84 2HA GLY 52 2HA GLY 52 13.159 -7.662 2.773 85 H CYS 53 H CYS 53 11.412 -5.922 0.589 86 HA CYS 53 HA CYS 53 11.792 -6.950 -1.876 87 1HB CYS 53 2HB CYS 53 10.667 -4.806 -1.301 88 2HB CYS 53 3HB CYS 53 12.240 -4.059 -1.111 89 H VAL 54 H VAL 54 13.629 -7.943 -2.653 90 HA VAL 54 HA VAL 54 16.211 -7.055 -1.715 91 HB VAL 54 HB VAL 54 17.019 -9.041 -2.540 92 1HG1 VAL 54 1HG1 VAL 54 14.089 -9.684 -2.059 93 2HG1 VAL 54 2HG1 VAL 54 15.464 -10.805 -1.908 94 3HG1 VAL 54 3HG1 VAL 54 15.310 -9.429 -0.788 95 1HG2 VAL 54 1HG2 VAL 54 16.696 -9.374 -4.739 96 2HG2 VAL 54 2HG2 VAL 54 15.252 -10.292 -4.247 97 3HG2 VAL 54 3HG2 VAL 54 15.101 -8.582 -4.719 98 H CYS 55 H CYS 55 14.090 -5.844 -3.820 99 HA CYS 55 HA CYS 55 15.865 -5.402 -6.108 100 1HB CYS 55 2HB CYS 55 13.230 -4.009 -5.582 101 2HB CYS 55 3HB CYS 55 13.984 -4.432 -7.140 102 H LYS 56 H LYS 56 15.398 -4.017 -2.970 103 HA LYS 56 HA LYS 56 15.757 -1.309 -3.655 104 1HB LYS 56 2HB LYS 56 15.114 -2.712 -1.381 105 2HB LYS 56 3HB LYS 56 16.748 -2.192 -1.022 106 1HG LYS 56 2HG LYS 56 15.560 0.083 -2.188 107 2HG LYS 56 3HG LYS 56 14.283 -0.596 -1.199 108 1HD LYS 56 2HD LYS 56 15.946 -0.715 0.734 109 2HD LYS 56 3HD LYS 56 17.094 0.148 -0.271 110 1HE LYS 56 2HE LYS 56 14.578 1.572 -0.364 111 2HE LYS 56 3HE LYS 56 14.950 1.238 1.315 112 1HZ LYS 56 1HZ LYS 56 16.099 3.147 0.927 113 2HZ LYS 56 2HZ LYS 56 17.275 2.054 0.627 114 3HZ LYS 56 3HZ LYS 56 16.493 2.772 -0.613 115 H GLY 57 H GLY 57 17.874 -4.083 -3.593 116 1HA GLY 57 1HA GLY 57 20.306 -2.581 -3.214 117 2HA GLY 57 2HA GLY 57 20.141 -4.274 -3.636 118 H LYS 58 H LYS 58 19.306 -4.744 -5.949 119 HA LYS 58 HA LYS 58 20.402 -2.706 -7.760 120 1HB LYS 58 2HB LYS 58 21.208 -4.507 -9.183 121 2HB LYS 58 3HB LYS 58 21.901 -4.632 -7.578 122 1HG LYS 58 2HG LYS 58 20.034 -6.296 -7.008 123 2HG LYS 58 3HG LYS 58 19.587 -6.275 -8.703 124 1HD LYS 58 2HD LYS 58 21.052 -8.154 -8.467 125 2HD LYS 58 3HD LYS 58 22.020 -6.914 -9.241 126 1HE LYS 58 2HE LYS 58 23.507 -7.504 -7.565 127 2HE LYS 58 3HE LYS 58 22.610 -6.280 -6.689 128 1HZ LYS 58 1HZ LYS 58 21.108 -8.323 -6.155 129 2HZ LYS 58 2HZ LYS 58 22.483 -9.158 -6.432 130 3HZ LYS 58 3HZ LYS 58 22.446 -8.010 -5.273 131 H THR 59 H THR 59 19.554 -3.450 -10.171 132 HA THR 59 HA THR 59 16.901 -2.716 -10.249 133 HB THR 59 HB THR 59 18.906 -3.986 -12.108 134 HG1 THR 59 1HG THR 59 17.010 -1.743 -12.144 135 1HG2 THR 59 1HG2 THR 59 17.248 -5.036 -13.314 136 2HG2 THR 59 2HG2 THR 59 15.956 -4.241 -12.384 137 3HG2 THR 59 3HG2 THR 59 16.729 -3.389 -13.743 138 H CYS 60 H CYS 60 17.621 -5.914 -11.638 139 HA CYS 60 HA CYS 60 16.405 -7.474 -9.727 140 1HB CYS 60 2HB CYS 60 14.466 -5.857 -10.722 141 2HB CYS 60 3HB CYS 60 14.348 -7.204 -11.835 142 H ASP 61 H ASP 61 18.420 -8.449 -10.698 143 HA ASP 61 HA ASP 61 17.774 -9.750 -13.227 144 1HB ASP 61 2HB ASP 61 20.200 -9.874 -13.653 145 2HB ASP 61 3HB ASP 61 19.710 -8.211 -13.398 146 H THR 62 H THR 62 19.886 -11.691 -13.151 147 HA THR 62 HA THR 62 18.806 -13.692 -11.576 148 HB THR 62 HB THR 62 21.078 -13.235 -13.373 149 HG1 THR 62 1HG THR 62 19.905 -14.970 -14.087 150 1HG2 THR 62 1HG2 THR 62 22.507 -13.813 -11.436 151 2HG2 THR 62 2HG2 THR 62 21.430 -15.167 -11.020 152 3HG2 THR 62 3HG2 THR 62 22.389 -15.221 -12.519 153 H SER 63 H SER 63 20.927 -11.055 -10.683 154 HA SER 63 HA SER 63 21.683 -12.443 -8.269 155 1HB SER 63 2HB SER 63 23.358 -11.083 -9.554 156 2HB SER 63 3HB SER 63 22.408 -9.643 -9.243 157 HG SER 63 HG SER 63 23.169 -11.237 -7.001 158 H CYS 64 H CYS 64 18.901 -11.145 -9.220 159 HA CYS 64 HA CYS 64 18.264 -10.229 -6.567 160 1HB CYS 64 2HB CYS 64 19.029 -8.181 -7.759 161 2HB CYS 64 3HB CYS 64 17.758 -8.424 -8.941 162 H CYS 65 H CYS 65 16.774 -11.796 -6.268 163 HA CYS 65 HA CYS 65 14.778 -12.908 -6.443 164 1HB CYS 65 2HB CYS 65 14.120 -10.937 -8.669 165 2HB CYS 65 3HB CYS 65 12.971 -11.917 -7.724 166 H GLN 66 H GLN 66 15.926 -11.941 -9.786 167 HA GLN 66 HA GLN 66 14.992 -14.316 -10.906 168 1HB GLN 66 2HB GLN 66 17.314 -12.758 -12.062 169 2HB GLN 66 3HB GLN 66 16.012 -13.569 -12.907 170 1HG GLN 66 2HG GLN 66 15.931 -10.934 -11.407 171 2HG GLN 66 3HG GLN 66 15.459 -11.259 -13.063 172 1HE2 GLN 66 1HE2 GLN 66 14.069 -10.095 -10.673 173 2HE2 GLN 66 2HE2 GLN 66 12.571 -10.953 -10.529 Start of MODEL 19 1 H SER 37 H SER 37 1.002 -6.263 -2.109 2 HA SER 37 HA SER 37 2.432 -6.487 -3.733 3 1HB SER 37 2HB SER 37 0.920 -4.550 -4.774 4 2HB SER 37 3HB SER 37 2.356 -3.575 -4.532 5 HG SER 37 HG SER 37 1.886 -5.121 -6.603 6 H CYS 38 H CYS 38 4.636 -5.160 -4.668 7 HA CYS 38 HA CYS 38 5.889 -3.960 -2.322 8 1HB CYS 38 2HB CYS 38 6.475 -6.341 -2.319 9 2HB CYS 38 3HB CYS 38 7.086 -6.209 -3.956 10 H CYS 39 H CYS 39 6.933 -5.115 -5.551 11 HA CYS 39 HA CYS 39 7.324 -2.297 -6.417 12 1HB CYS 39 2HB CYS 39 9.476 -3.111 -7.507 13 2HB CYS 39 3HB CYS 39 9.515 -3.017 -5.729 14 HA PRO 40 HA PRO 40 5.370 -3.875 -9.966 15 1HB PRO 40 2HB PRO 40 5.830 -1.846 -11.739 16 2HB PRO 40 3HB PRO 40 4.548 -1.804 -10.545 17 1HG PRO 40 2HG PRO 40 7.127 -0.360 -10.546 18 2HG PRO 40 3HG PRO 40 5.681 -0.022 -9.616 19 1HD PRO 40 2HD PRO 40 8.081 -1.272 -8.664 20 2HD PRO 40 3HD PRO 40 6.594 -1.039 -7.767 21 H CYS 41 H CYS 41 8.387 -4.263 -9.393 22 HA CYS 41 HA CYS 41 9.015 -4.989 -12.161 23 1HB CYS 41 2HB CYS 41 11.050 -4.162 -11.906 24 2HB CYS 41 3HB CYS 41 10.471 -3.408 -10.433 25 H CYS 42 H CYS 42 7.580 -6.251 -9.548 26 HA CYS 42 HA CYS 42 8.724 -8.868 -10.041 27 1HB CYS 42 2HB CYS 42 8.712 -7.494 -7.374 28 2HB CYS 42 3HB CYS 42 8.516 -9.233 -7.459 29 HA PRO 43 HA PRO 43 4.504 -9.889 -9.707 30 1HB PRO 43 2HB PRO 43 4.562 -12.514 -8.948 31 2HB PRO 43 3HB PRO 43 4.836 -11.987 -10.597 32 1HG PRO 43 2HG PRO 43 6.802 -12.935 -8.602 33 2HG PRO 43 3HG PRO 43 6.974 -12.813 -10.342 34 1HD PRO 43 2HD PRO 43 8.073 -11.033 -8.379 35 2HD PRO 43 3HD PRO 43 8.147 -10.848 -10.121 36 H SER 44 H SER 44 2.740 -11.040 -8.268 37 HA SER 44 HA SER 44 3.149 -9.746 -5.729 38 1HB SER 44 2HB SER 44 0.638 -11.185 -6.660 39 2HB SER 44 3HB SER 44 0.766 -9.943 -5.432 40 HG SER 44 HG SER 44 1.399 -8.426 -7.130 41 H GLY 45 H GLY 45 4.886 -11.839 -5.831 42 1HA GLY 45 1HA GLY 45 4.165 -13.445 -3.654 43 2HA GLY 45 2HA GLY 45 3.884 -14.367 -5.117 44 H CYS 46 H CYS 46 6.409 -11.861 -4.417 45 HA CYS 46 HA CYS 46 8.390 -13.790 -5.301 46 1HB CYS 46 2HB CYS 46 8.511 -11.684 -6.406 47 2HB CYS 46 3HB CYS 46 8.461 -10.801 -4.893 48 H THR 47 H THR 47 8.572 -15.166 -3.454 49 HA THR 47 HA THR 47 8.561 -14.421 -0.822 50 HB THR 47 HB THR 47 9.859 -16.559 -0.520 51 HG1 THR 47 1HG THR 47 11.314 -16.384 -2.292 52 1HG2 THR 47 1HG2 THR 47 7.367 -16.300 -1.893 53 2HG2 THR 47 2HG2 THR 47 8.318 -17.481 -2.822 54 3HG2 THR 47 3HG2 THR 47 8.000 -17.759 -1.093 55 H LYS 48 H LYS 48 10.976 -13.700 -3.249 56 HA LYS 48 HA LYS 48 13.116 -13.315 -1.429 57 1HB LYS 48 2HB LYS 48 12.611 -13.049 -4.298 58 2HB LYS 48 3HB LYS 48 13.630 -11.763 -3.683 59 1HG LYS 48 2HG LYS 48 14.640 -14.047 -2.399 60 2HG LYS 48 3HG LYS 48 14.227 -14.638 -3.996 61 1HD LYS 48 2HD LYS 48 15.446 -12.326 -4.729 62 2HD LYS 48 3HD LYS 48 16.262 -12.573 -3.199 63 1HE LYS 48 2HE LYS 48 16.886 -14.901 -3.926 64 2HE LYS 48 3HE LYS 48 16.108 -14.613 -5.471 65 1HZ LYS 48 1HZ LYS 48 18.665 -14.010 -4.845 66 2HZ LYS 48 2HZ LYS 48 17.852 -13.470 -6.155 67 3HZ LYS 48 3HZ LYS 48 17.930 -12.553 -4.805 68 H CYS 49 H CYS 49 10.526 -11.329 -2.785 69 HA CYS 49 HA CYS 49 11.508 -8.931 -1.379 70 1HB CYS 49 2HB CYS 49 9.383 -9.530 -3.438 71 2HB CYS 49 3HB CYS 49 9.314 -8.021 -2.495 72 H ALA 50 H ALA 50 9.627 -11.696 -0.649 73 HA ALA 50 HA ALA 50 7.486 -10.542 0.724 74 1HB ALA 50 1HB ALA 50 7.755 -12.838 2.023 75 2HB ALA 50 2HB ALA 50 7.248 -12.815 0.317 76 3HB ALA 50 3HB ALA 50 8.939 -13.177 0.738 77 H SER 51 H SER 51 10.918 -11.021 1.534 78 HA SER 51 HA SER 51 10.459 -10.450 4.291 79 1HB SER 51 2HB SER 51 12.463 -11.742 2.864 80 2HB SER 51 3HB SER 51 13.230 -10.218 3.265 81 HG SER 51 HG SER 51 11.945 -11.997 5.160 82 H GLY 52 H GLY 52 10.399 -8.603 1.506 83 1HA GLY 52 1HA GLY 52 10.101 -6.163 2.471 84 2HA GLY 52 2HA GLY 52 11.846 -6.301 2.569 85 H CYS 53 H CYS 53 13.126 -6.517 0.621 86 HA CYS 53 HA CYS 53 12.025 -6.777 -1.908 87 1HB CYS 53 2HB CYS 53 10.962 -4.615 -1.458 88 2HB CYS 53 3HB CYS 53 12.526 -3.896 -1.128 89 H VAL 54 H VAL 54 13.807 -7.806 -2.747 90 HA VAL 54 HA VAL 54 16.432 -7.051 -1.803 91 HB VAL 54 HB VAL 54 17.113 -9.084 -2.548 92 1HG1 VAL 54 1HG1 VAL 54 14.253 -9.950 -2.641 93 2HG1 VAL 54 2HG1 VAL 54 15.632 -10.636 -1.748 94 3HG1 VAL 54 3HG1 VAL 54 14.837 -9.156 -1.159 95 1HG2 VAL 54 1HG2 VAL 54 15.368 -8.503 -4.875 96 2HG2 VAL 54 2HG2 VAL 54 16.999 -9.210 -4.807 97 3HG2 VAL 54 3HG2 VAL 54 15.575 -10.223 -4.469 98 H CYS 55 H CYS 55 14.346 -5.750 -3.906 99 HA CYS 55 HA CYS 55 16.148 -5.340 -6.181 100 1HB CYS 55 2HB CYS 55 13.539 -3.896 -5.650 101 2HB CYS 55 3HB CYS 55 14.301 -4.291 -7.211 102 H LYS 56 H LYS 56 15.721 -3.979 -3.033 103 HA LYS 56 HA LYS 56 16.101 -1.271 -3.648 104 1HB LYS 56 2HB LYS 56 15.556 -2.739 -1.392 105 2HB LYS 56 3HB LYS 56 17.208 -2.241 -1.093 106 1HG LYS 56 2HG LYS 56 16.644 -0.024 -0.874 107 2HG LYS 56 3HG LYS 56 15.492 -0.079 -2.192 108 1HD LYS 56 2HD LYS 56 13.724 -0.759 -0.818 109 2HD LYS 56 3HD LYS 56 14.777 -1.563 0.329 110 1HE LYS 56 2HE LYS 56 13.915 0.443 1.400 111 2HE LYS 56 3HE LYS 56 15.620 0.700 1.085 112 1HZ LYS 56 1HZ LYS 56 13.629 2.315 0.290 113 2HZ LYS 56 2HZ LYS 56 15.146 2.328 -0.316 114 3HZ LYS 56 3HZ LYS 56 13.966 1.499 -1.084 115 H GLY 57 H GLY 57 18.221 -4.060 -3.699 116 1HA GLY 57 1HA GLY 57 20.656 -2.514 -3.474 117 2HA GLY 57 2HA GLY 57 20.497 -4.229 -3.792 118 H LYS 58 H LYS 58 20.157 -5.001 -5.968 119 HA LYS 58 HA LYS 58 21.059 -3.062 -7.946 120 1HB LYS 58 2HB LYS 58 21.569 -5.032 -9.313 121 2HB LYS 58 3HB LYS 58 22.357 -5.104 -7.750 122 1HG LYS 58 2HG LYS 58 19.744 -6.328 -7.507 123 2HG LYS 58 3HG LYS 58 20.542 -7.010 -8.910 124 1HD LYS 58 2HD LYS 58 21.961 -6.752 -6.226 125 2HD LYS 58 3HD LYS 58 20.981 -8.151 -6.620 126 1HE LYS 58 2HE LYS 58 22.926 -8.987 -7.498 127 2HE LYS 58 3HE LYS 58 22.526 -7.997 -8.887 128 1HZ LYS 58 1HZ LYS 58 23.862 -6.561 -6.818 129 2HZ LYS 58 2HZ LYS 58 24.760 -7.774 -7.441 130 3HZ LYS 58 3HZ LYS 58 24.173 -6.607 -8.421 131 H THR 59 H THR 59 20.055 -3.852 -10.298 132 HA THR 59 HA THR 59 17.458 -2.852 -10.282 133 HB THR 59 HB THR 59 19.335 -4.197 -12.215 134 HG1 THR 59 1HG THR 59 19.239 -1.871 -11.842 135 1HG2 THR 59 1HG2 THR 59 16.370 -4.303 -12.419 136 2HG2 THR 59 2HG2 THR 59 17.152 -3.476 -13.787 137 3HG2 THR 59 3HG2 THR 59 17.598 -5.153 -13.388 138 H CYS 60 H CYS 60 17.945 -6.072 -11.733 139 HA CYS 60 HA CYS 60 16.648 -7.563 -9.812 140 1HB CYS 60 2HB CYS 60 14.809 -5.832 -10.784 141 2HB CYS 60 3HB CYS 60 14.615 -7.145 -11.926 142 H ASP 61 H ASP 61 18.574 -8.695 -10.761 143 HA ASP 61 HA ASP 61 17.851 -9.946 -13.294 144 1HB ASP 61 2HB ASP 61 20.268 -10.214 -13.731 145 2HB ASP 61 3HB ASP 61 19.867 -8.524 -13.499 146 H THR 62 H THR 62 19.845 -12.004 -13.231 147 HA THR 62 HA THR 62 18.669 -13.929 -11.626 148 HB THR 62 HB THR 62 20.965 -13.612 -13.442 149 HG1 THR 62 1HG THR 62 20.177 -15.924 -13.716 150 1HG2 THR 62 1HG2 THR 62 21.130 -15.785 -11.292 151 2HG2 THR 62 2HG2 THR 62 22.254 -15.532 -12.649 152 3HG2 THR 62 3HG2 THR 62 22.190 -14.355 -11.315 153 H SER 63 H SER 63 20.843 -11.367 -10.746 154 HA SER 63 HA SER 63 21.599 -12.801 -8.347 155 1HB SER 63 2HB SER 63 23.250 -11.434 -9.793 156 2HB SER 63 3HB SER 63 22.460 -10.000 -9.168 157 HG SER 63 HG SER 63 24.333 -10.577 -7.902 158 H CYS 64 H CYS 64 18.892 -11.330 -9.290 159 HA CYS 64 HA CYS 64 18.333 -10.373 -6.631 160 1HB CYS 64 2HB CYS 64 19.206 -8.377 -7.820 161 2HB CYS 64 3HB CYS 64 17.935 -8.552 -9.013 162 H CYS 65 H CYS 65 16.784 -11.896 -6.343 163 HA CYS 65 HA CYS 65 14.710 -12.867 -6.486 164 1HB CYS 65 2HB CYS 65 14.158 -10.877 -8.723 165 2HB CYS 65 3HB CYS 65 12.958 -11.783 -7.767 166 H GLN 66 H GLN 66 15.881 -11.991 -9.846 167 HA GLN 66 HA GLN 66 14.809 -14.310 -10.945 168 1HB GLN 66 2HB GLN 66 17.227 -12.908 -12.109 169 2HB GLN 66 3HB GLN 66 15.880 -13.647 -12.952 170 1HG GLN 66 2HG GLN 66 15.945 -11.003 -11.463 171 2HG GLN 66 3HG GLN 66 15.478 -11.303 -13.124 172 1HE2 GLN 66 1HE2 GLN 66 14.149 -10.092 -10.692 173 2HE2 GLN 66 2HE2 GLN 66 12.592 -10.845 -10.591 Start of MODEL 20 1 H SER 37 H SER 37 1.883 -4.921 -1.949 2 HA SER 37 HA SER 37 2.403 -5.355 -4.595 3 1HB SER 37 2HB SER 37 1.094 -2.917 -4.383 4 2HB SER 37 3HB SER 37 2.775 -2.424 -4.335 5 HG SER 37 HG SER 37 3.143 -3.294 -6.362 6 H CYS 38 H CYS 38 4.704 -4.249 -5.181 7 HA CYS 38 HA CYS 38 6.226 -3.590 -2.839 8 1HB CYS 38 2HB CYS 38 6.146 -6.080 -2.800 9 2HB CYS 38 3HB CYS 38 6.919 -6.103 -4.372 10 H CYS 39 H CYS 39 6.917 -5.107 -6.015 11 HA CYS 39 HA CYS 39 7.872 -2.526 -7.088 12 1HB CYS 39 2HB CYS 39 9.982 -3.683 -7.869 13 2HB CYS 39 3HB CYS 39 9.887 -3.438 -6.107 14 HA PRO 40 HA PRO 40 5.974 -4.304 -10.575 15 1HB PRO 40 2HB PRO 40 6.746 -2.534 -12.509 16 2HB PRO 40 3HB PRO 40 5.399 -2.243 -11.426 17 1HG PRO 40 2HG PRO 40 8.104 -1.050 -11.383 18 2HG PRO 40 3HG PRO 40 6.641 -0.481 -10.604 19 1HD PRO 40 2HD PRO 40 8.839 -1.832 -9.351 20 2HD PRO 40 3HD PRO 40 7.327 -1.367 -8.597 21 H CYS 41 H CYS 41 8.889 -4.907 -9.739 22 HA CYS 41 HA CYS 41 9.617 -5.992 -12.362 23 1HB CYS 41 2HB CYS 41 11.707 -5.335 -12.053 24 2HB CYS 41 3HB CYS 41 11.111 -4.354 -10.728 25 H CYS 42 H CYS 42 7.879 -6.832 -9.788 26 HA CYS 42 HA CYS 42 8.789 -9.574 -9.903 27 1HB CYS 42 2HB CYS 42 8.797 -7.922 -7.398 28 2HB CYS 42 3HB CYS 42 8.432 -9.634 -7.315 29 HA PRO 43 HA PRO 43 4.480 -10.158 -9.654 30 1HB PRO 43 2HB PRO 43 4.227 -12.617 -8.490 31 2HB PRO 43 3HB PRO 43 4.639 -12.395 -10.179 32 1HG PRO 43 2HG PRO 43 6.390 -13.184 -7.931 33 2HG PRO 43 3HG PRO 43 6.665 -13.365 -9.652 34 1HD PRO 43 2HD PRO 43 7.838 -11.399 -7.924 35 2HD PRO 43 3HD PRO 43 8.021 -11.508 -9.664 36 H SER 44 H SER 44 2.485 -10.499 -8.325 37 HA SER 44 HA SER 44 2.801 -8.883 -6.059 38 1HB SER 44 2HB SER 44 0.325 -9.679 -5.680 39 2HB SER 44 3HB SER 44 0.701 -8.670 -7.063 40 HG SER 44 HG SER 44 0.621 -11.563 -7.165 41 H GLY 45 H GLY 45 4.619 -10.606 -5.330 42 1HA GLY 45 1HA GLY 45 3.739 -11.773 -2.948 43 2HA GLY 45 2HA GLY 45 3.801 -13.036 -4.161 44 H CYS 46 H CYS 46 5.829 -13.657 -5.117 45 HA CYS 46 HA CYS 46 7.971 -14.135 -5.023 46 1HB CYS 46 2HB CYS 46 8.168 -11.947 -6.069 47 2HB CYS 46 3HB CYS 46 8.241 -11.168 -4.502 48 H THR 47 H THR 47 8.579 -15.457 -3.337 49 HA THR 47 HA THR 47 8.152 -14.771 -0.634 50 HB THR 47 HB THR 47 9.389 -16.917 -0.267 51 HG1 THR 47 1HG THR 47 10.428 -17.805 -2.169 52 1HG2 THR 47 1HG2 THR 47 7.259 -17.627 -0.914 53 2HG2 THR 47 2HG2 THR 47 7.300 -16.690 -2.428 54 3HG2 THR 47 3HG2 THR 47 8.182 -18.232 -2.311 55 H LYS 48 H LYS 48 10.667 -13.946 -2.895 56 HA LYS 48 HA LYS 48 12.697 -13.597 -0.926 57 1HB LYS 48 2HB LYS 48 12.401 -13.334 -3.827 58 2HB LYS 48 3HB LYS 48 13.387 -12.061 -3.135 59 1HG LYS 48 2HG LYS 48 14.265 -14.369 -1.789 60 2HG LYS 48 3HG LYS 48 13.978 -14.936 -3.423 61 1HD LYS 48 2HD LYS 48 15.273 -12.582 -3.970 62 2HD LYS 48 3HD LYS 48 15.997 -12.965 -2.421 63 1HE LYS 48 2HE LYS 48 15.805 -15.275 -4.297 64 2HE LYS 48 3HE LYS 48 16.855 -13.982 -4.843 65 1HZ LYS 48 1HZ LYS 48 18.263 -15.141 -3.539 66 2HZ LYS 48 2HZ LYS 48 17.674 -14.145 -2.388 67 3HZ LYS 48 3HZ LYS 48 17.114 -15.674 -2.510 68 H CYS 49 H CYS 49 10.325 -11.549 -2.604 69 HA CYS 49 HA CYS 49 11.175 -9.150 -1.165 70 1HB CYS 49 2HB CYS 49 9.070 -9.829 -3.227 71 2HB CYS 49 3HB CYS 49 9.024 -8.275 -2.358 72 H ALA 50 H ALA 50 9.299 -11.907 -0.390 73 HA ALA 50 HA ALA 50 7.171 -10.635 0.963 74 1HB ALA 50 1HB ALA 50 6.717 -12.850 0.496 75 2HB ALA 50 2HB ALA 50 8.389 -13.373 0.810 76 3HB ALA 50 3HB ALA 50 7.298 -13.017 2.170 77 H SER 51 H SER 51 10.427 -11.861 1.954 78 HA SER 51 HA SER 51 9.950 -10.920 4.620 79 1HB SER 51 2HB SER 51 11.528 -12.938 3.492 80 2HB SER 51 3HB SER 51 12.708 -11.727 3.951 81 HG SER 51 HG SER 51 12.227 -13.274 5.672 82 H GLY 52 H GLY 52 10.564 -9.374 1.795 83 1HA GLY 52 1HA GLY 52 11.072 -6.932 2.416 84 2HA GLY 52 2HA GLY 52 12.638 -7.578 2.866 85 H CYS 53 H CYS 53 11.525 -5.742 0.576 86 HA CYS 53 HA CYS 53 11.842 -7.092 -1.827 87 1HB CYS 53 2HB CYS 53 10.776 -4.896 -1.598 88 2HB CYS 53 3HB CYS 53 12.320 -4.171 -1.197 89 H VAL 54 H VAL 54 13.673 -8.181 -2.464 90 HA VAL 54 HA VAL 54 16.227 -7.362 -1.371 91 HB VAL 54 HB VAL 54 16.992 -9.442 -1.999 92 1HG1 VAL 54 1HG1 VAL 54 15.183 -9.618 -0.323 93 2HG1 VAL 54 2HG1 VAL 54 14.012 -9.897 -1.632 94 3HG1 VAL 54 3HG1 VAL 54 15.309 -11.078 -1.333 95 1HG2 VAL 54 1HG2 VAL 54 15.345 -9.019 -4.351 96 2HG2 VAL 54 2HG2 VAL 54 16.766 -10.068 -4.130 97 3HG2 VAL 54 3HG2 VAL 54 15.142 -10.669 -3.716 98 H CYS 55 H CYS 55 14.320 -6.237 -3.722 99 HA CYS 55 HA CYS 55 16.256 -6.065 -5.906 100 1HB CYS 55 2HB CYS 55 13.693 -4.475 -5.643 101 2HB CYS 55 3HB CYS 55 14.507 -5.051 -7.119 102 H LYS 56 H LYS 56 15.752 -4.441 -2.904 103 HA LYS 56 HA LYS 56 16.280 -1.807 -3.728 104 1HB LYS 56 2HB LYS 56 15.627 -3.132 -1.353 105 2HB LYS 56 3HB LYS 56 17.214 -2.455 -1.045 106 1HG LYS 56 2HG LYS 56 16.008 -0.561 -0.544 107 2HG LYS 56 3HG LYS 56 16.077 -0.310 -2.277 108 1HD LYS 56 2HD LYS 56 13.881 -1.700 -2.403 109 2HD LYS 56 3HD LYS 56 13.790 -1.509 -0.664 110 1HE LYS 56 2HE LYS 56 13.272 0.739 -0.794 111 2HE LYS 56 3HE LYS 56 14.316 1.013 -2.174 112 1HZ LYS 56 1HZ LYS 56 12.615 -0.297 -3.454 113 2HZ LYS 56 2HZ LYS 56 11.621 -0.125 -2.170 114 3HZ LYS 56 3HZ LYS 56 12.162 1.194 -2.967 115 H GLY 57 H GLY 57 18.110 -0.887 -4.482 116 1HA GLY 57 1HA GLY 57 20.527 -0.648 -3.874 117 2HA GLY 57 2HA GLY 57 20.629 -2.385 -4.078 118 H LYS 58 H LYS 58 19.684 -3.222 -6.300 119 HA LYS 58 HA LYS 58 20.350 -1.279 -8.393 120 1HB LYS 58 2HB LYS 58 21.675 -2.875 -9.568 121 2HB LYS 58 3HB LYS 58 22.281 -2.798 -7.926 122 1HG LYS 58 2HG LYS 58 20.173 -4.856 -8.635 123 2HG LYS 58 3HG LYS 58 21.843 -5.151 -9.073 124 1HD LYS 58 2HD LYS 58 21.413 -4.218 -6.266 125 2HD LYS 58 3HD LYS 58 20.756 -5.801 -6.633 126 1HE LYS 58 2HE LYS 58 22.923 -6.637 -7.346 127 2HE LYS 58 3HE LYS 58 23.619 -5.029 -7.349 128 1HZ LYS 58 1HZ LYS 58 22.901 -6.689 -5.069 129 2HZ LYS 58 2HZ LYS 58 24.284 -5.869 -5.351 130 3HZ LYS 58 3HZ LYS 58 22.940 -5.067 -4.889 131 H THR 59 H THR 59 19.784 -2.767 -10.630 132 HA THR 59 HA THR 59 17.053 -2.627 -10.822 133 HB THR 59 HB THR 59 19.217 -4.154 -12.331 134 HG1 THR 59 1HG THR 59 19.253 -2.029 -12.979 135 1HG2 THR 59 1HG2 THR 59 16.331 -4.555 -12.517 136 2HG2 THR 59 2HG2 THR 59 16.922 -3.731 -13.980 137 3HG2 THR 59 3HG2 THR 59 17.618 -5.296 -13.497 138 H CYS 60 H CYS 60 18.099 -5.869 -11.605 139 HA CYS 60 HA CYS 60 17.757 -7.449 -9.603 140 1HB CYS 60 2HB CYS 60 15.960 -6.488 -8.511 141 2HB CYS 60 3HB CYS 60 15.105 -6.117 -9.994 142 H ASP 61 H ASP 61 18.736 -8.727 -11.268 143 HA ASP 61 HA ASP 61 16.836 -10.143 -12.839 144 1HB ASP 61 2HB ASP 61 17.871 -9.711 -15.013 145 2HB ASP 61 3HB ASP 61 17.367 -8.187 -14.307 146 H THR 62 H THR 62 17.542 -12.203 -12.236 147 HA THR 62 HA THR 62 18.870 -13.952 -11.891 148 HB THR 62 HB THR 62 20.672 -12.352 -13.781 149 HG1 THR 62 1HG THR 62 18.435 -13.225 -14.349 150 1HG2 THR 62 1HG2 THR 62 20.814 -15.341 -13.610 151 2HG2 THR 62 2HG2 THR 62 22.106 -14.167 -13.959 152 3HG2 THR 62 3HG2 THR 62 21.597 -14.458 -12.277 153 H SER 63 H SER 63 20.394 -10.756 -11.416 154 HA SER 63 HA SER 63 22.169 -11.915 -9.473 155 1HB SER 63 2HB SER 63 22.783 -10.035 -11.135 156 2HB SER 63 3HB SER 63 21.821 -8.964 -10.136 157 HG SER 63 HG SER 63 24.318 -9.361 -9.751 158 H CYS 64 H CYS 64 19.018 -11.535 -9.341 159 HA CYS 64 HA CYS 64 19.088 -10.592 -6.590 160 1HB CYS 64 2HB CYS 64 18.337 -8.778 -8.307 161 2HB CYS 64 3HB CYS 64 16.848 -9.699 -8.381 162 H CYS 65 H CYS 65 16.005 -10.691 -6.975 163 HA CYS 65 HA CYS 65 15.377 -13.090 -5.843 164 1HB CYS 65 2HB CYS 65 13.758 -11.719 -8.029 165 2HB CYS 65 3HB CYS 65 13.133 -12.810 -6.767 166 H GLN 66 H GLN 66 16.394 -12.548 -9.220 167 HA GLN 66 HA GLN 66 15.698 -15.316 -9.767 168 1HB GLN 66 2HB GLN 66 16.792 -13.940 -12.066 169 2HB GLN 66 3HB GLN 66 15.187 -14.609 -11.850 170 1HG GLN 66 2HG GLN 66 16.095 -11.858 -10.878 171 2HG GLN 66 3HG GLN 66 15.119 -12.154 -12.303 172 1HE2 GLN 66 1HE2 GLN 66 13.841 -10.559 -10.924 173 2HE2 GLN 66 2HE2 GLN 66 12.632 -11.222 -9.875
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