NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
616889 | 5xiv | 36079 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 TYR 1 HT1 TYR 1 7.537 2.594 -3.280 2 H2 TYR 1 HT2 TYR 1 7.441 0.905 -3.300 3 H3 TYR 1 HT3 TYR 1 7.795 1.715 -1.857 4 HA TYR 1 HA TYR 1 5.266 1.938 -3.370 5 HB2 TYR 1 HB2 TYR 1 4.341 0.695 -1.290 6 HB3 TYR 1 HB1 TYR 1 5.221 -0.249 -2.474 7 HD1 TYR 1 HD1 TYR 1 7.472 -1.112 -1.944 8 HD2 TYR 1 HD2 TYR 1 5.180 1.011 0.945 9 HE1 TYR 1 HE1 TYR 1 8.956 -1.939 -0.167 10 HE2 TYR 1 HE2 TYR 1 6.659 0.190 2.728 11 HH TYR 1 HH TYR 1 8.195 -1.682 3.129 12 H GLU 2 HN GLU 2 4.218 2.074 -0.402 13 HA GLU 2 HA GLU 2 4.963 4.845 0.211 14 HB2 GLU 2 HB2 GLU 2 2.878 4.701 -1.281 15 HB3 GLU 2 HB1 GLU 2 2.072 3.935 0.073 16 HG2 GLU 2 HG2 GLU 2 1.429 6.215 0.053 17 HG3 GLU 2 HG1 GLU 2 2.523 6.000 1.413 18 H THR 3 HN THR 3 3.733 5.466 2.371 19 HA THR 3 HA THR 3 3.550 3.173 4.181 20 HB THR 3 HB THR 3 4.753 4.691 5.922 21 HG1 THR 3 HG1 THR 3 5.869 5.689 3.484 22 HG21 THR 3 HG21 THR 3 6.287 3.323 3.690 23 HG22 THR 3 HG22 THR 3 5.617 2.535 5.117 24 HG23 THR 3 HG23 THR 3 6.926 3.704 5.288 25 H GLY 4 HN GLY 4 1.830 3.241 5.319 26 HA2 GLY 4 HA2 GLY 4 0.618 4.850 6.960 27 HA3 GLY 4 HA1 GLY 4 0.256 5.717 5.474 28 H CYS 5 HN CYS 5 -0.173 3.544 3.749 29 HA CYS 5 HA CYS 5 -1.848 2.265 2.951 30 HB2 CYS 5 HB2 CYS 5 -1.367 1.178 5.675 31 HB3 CYS 5 HB1 CYS 5 -2.822 0.636 4.847 32 H LYS 6 HN LYS 6 -3.372 3.725 2.380 33 HA LYS 6 HA LYS 6 -5.259 4.790 4.262 34 HB2 LYS 6 HB2 LYS 6 -4.351 5.804 2.010 35 HB3 LYS 6 HB1 LYS 6 -5.695 4.918 1.307 36 HG2 LYS 6 HG2 LYS 6 -7.249 6.127 2.766 37 HG3 LYS 6 HG1 LYS 6 -5.895 7.024 3.454 38 HD2 LYS 6 HD2 LYS 6 -5.392 7.956 1.248 39 HD3 LYS 6 HD1 LYS 6 -6.735 7.046 0.554 40 HE2 LYS 6 HE2 LYS 6 -8.296 8.262 1.999 41 HE3 LYS 6 HE1 LYS 6 -6.951 9.175 2.681 42 HZ1 LYS 6 HZ1 LYS 6 -7.796 9.210 -0.167 43 HZ2 LYS 6 HZ2 LYS 6 -6.507 10.087 0.487 44 HZ3 LYS 6 HZ3 LYS 6 -8.092 10.432 0.966 45 H ARG 7 HN ARG 7 -5.973 3.057 1.265 46 HA ARG 7 HA ARG 7 -8.013 1.483 2.690 47 HB2 ARG 7 HB2 ARG 7 -9.025 3.203 1.226 48 HB3 ARG 7 HB1 ARG 7 -8.157 2.545 -0.152 49 HG2 ARG 7 HG2 ARG 7 -9.488 0.657 -0.258 50 HG3 ARG 7 HG1 ARG 7 -10.017 0.811 1.416 51 HD2 ARG 7 HD2 ARG 7 -11.308 2.817 0.804 52 HD3 ARG 7 HD1 ARG 7 -10.793 2.623 -0.872 53 HE ARG 7 HE ARG 7 -11.969 0.234 -0.168 54 HH11 ARG 7 HH11 ARG 7 -13.029 3.578 -0.352 55 HH12 ARG 7 HH12 ARG 7 -14.674 3.157 -0.694 56 HH21 ARG 7 HH21 ARG 7 -14.127 -0.291 -0.617 57 HH22 ARG 7 HH22 ARG 7 -15.294 0.968 -0.845 58 H CYS 8 HN CYS 8 -7.735 0.695 -0.609 59 HA CYS 8 HA CYS 8 -5.586 -1.216 -0.238 60 HB2 CYS 8 HB2 CYS 8 -7.665 -2.438 0.396 61 HB3 CYS 8 HB1 CYS 8 -8.284 -2.145 -1.227 62 H CYS 9 HN CYS 9 -4.255 -0.832 -1.821 63 HA CYS 9 HA CYS 9 -5.329 -0.259 -4.487 64 HB2 CYS 9 HB2 CYS 9 -3.121 1.036 -2.951 65 HB3 CYS 9 HB1 CYS 9 -3.003 0.965 -4.707 66 H TYR 10 HN TYR 10 -2.487 -1.499 -2.800 67 HA TYR 10 HA TYR 10 -2.222 -3.764 -4.535 68 HB2 TYR 10 HB2 TYR 10 -0.847 -1.320 -5.241 69 HB3 TYR 10 HB1 TYR 10 0.311 -2.595 -4.892 70 HD1 TYR 10 HD1 TYR 10 0.191 -4.740 -6.204 71 HD2 TYR 10 HD2 TYR 10 -2.085 -1.302 -7.256 72 HE1 TYR 10 HE1 TYR 10 -0.152 -5.665 -8.458 73 HE2 TYR 10 HE2 TYR 10 -2.438 -2.219 -9.510 74 HH TYR 10 HH TYR 10 -1.748 -5.441 -10.315 75 H LEU 11 HN LEU 11 -0.026 -4.906 -4.114 76 HA LEU 11 HA LEU 11 0.909 -4.430 -1.369 77 HB2 LEU 11 HB2 LEU 11 0.400 -7.137 -2.611 78 HB3 LEU 11 HB1 LEU 11 0.994 -6.838 -0.990 79 HG LEU 11 HG LEU 11 -1.673 -5.776 -1.851 80 HD11 LEU 11 HD11 LEU 11 -2.700 -7.813 -0.965 81 HD12 LEU 11 HD12 LEU 11 -1.097 -8.533 -0.797 82 HD13 LEU 11 HD13 LEU 11 -1.719 -8.125 -2.397 83 HD21 LEU 11 HD21 LEU 11 -0.703 -4.957 0.243 84 HD22 LEU 11 HD22 LEU 11 -0.573 -6.615 0.829 85 HD23 LEU 11 HD23 LEU 11 -2.160 -5.908 0.529 86 H ASP 12 HN ASP 12 2.942 -3.820 -1.502 87 HA ASP 12 HA ASP 12 4.559 -4.575 -3.788 88 HB2 ASP 12 HB2 ASP 12 4.400 -2.266 -2.562 89 HB3 ASP 12 HB1 ASP 12 5.640 -2.956 -1.521 90 H GLU 13 HN GLU 13 5.559 -4.510 -0.335 91 HA GLU 13 HA GLU 13 6.918 -7.067 -0.804 92 HB2 GLU 13 HB2 GLU 13 8.203 -4.716 -0.409 93 HB3 GLU 13 HB1 GLU 13 8.064 -5.290 1.248 94 HG2 GLU 13 HG2 GLU 13 9.136 -7.391 0.593 95 HG3 GLU 13 HG1 GLU 13 9.310 -6.773 -1.049 96 H TYR 14 HN TYR 14 6.140 -5.018 1.967 97 HA TYR 14 HA TYR 14 5.553 -7.308 3.629 98 HB2 TYR 14 HB2 TYR 14 5.475 -4.333 4.152 99 HB3 TYR 14 HB1 TYR 14 5.028 -5.533 5.360 100 HD1 TYR 14 HD1 TYR 14 7.799 -4.069 3.455 101 HD2 TYR 14 HD2 TYR 14 6.711 -6.910 6.429 102 HE1 TYR 14 HE1 TYR 14 10.158 -4.273 4.114 103 HE2 TYR 14 HE2 TYR 14 9.068 -7.121 7.098 104 HH TYR 14 HH TYR 14 11.469 -4.953 6.081 105 H GLY 15 HN GLY 15 3.823 -5.104 1.658 106 HA2 GLY 15 HA2 GLY 15 1.603 -5.772 0.937 107 HA3 GLY 15 HA1 GLY 15 1.277 -6.268 2.588 108 H CYS 16 HN CYS 16 2.929 -3.276 1.830 109 HA CYS 16 HA CYS 16 0.474 -1.755 2.312 110 HB2 CYS 16 HB2 CYS 16 1.858 -2.051 4.451 111 HB3 CYS 16 HB1 CYS 16 3.044 -0.994 3.692 112 H ILE 17 HN ILE 17 0.201 -0.233 0.915 113 HA ILE 17 HA ILE 17 2.462 1.173 -0.287 114 HB ILE 17 HB ILE 17 1.734 -0.703 -1.798 115 HG12 ILE 17 HG12 ILE 17 1.276 2.041 -2.999 116 HG13 ILE 17 HG11 ILE 17 2.856 1.365 -2.650 117 HG21 ILE 17 HG21 ILE 17 -0.832 0.862 -2.040 118 HG22 ILE 17 HG22 ILE 17 -0.636 -0.760 -1.375 119 HG23 ILE 17 HG23 ILE 17 -0.353 -0.470 -3.092 120 HD11 ILE 17 HD11 ILE 17 2.321 1.131 -5.001 121 HD12 ILE 17 HD12 ILE 17 0.840 0.264 -4.598 122 HD13 ILE 17 HD13 ILE 17 2.408 -0.457 -4.238 123 H ARG 18 HN ARG 18 0.413 2.489 -2.117 124 HA ARG 18 HA ARG 18 -0.148 4.798 -0.651 125 HB2 ARG 18 HB2 ARG 18 0.027 4.416 -3.186 126 HB3 ARG 18 HB1 ARG 18 -1.646 3.892 -3.105 127 HG2 ARG 18 HG2 ARG 18 -2.103 6.174 -2.010 128 HG3 ARG 18 HG1 ARG 18 -0.510 6.626 -2.620 129 HD2 ARG 18 HD2 ARG 18 -2.146 7.319 -4.224 130 HD3 ARG 18 HD1 ARG 18 -1.264 5.950 -4.897 131 HE ARG 18 HE ARG 18 -3.362 4.702 -3.855 132 HH11 ARG 18 HH11 ARG 18 -3.287 7.646 -5.773 133 HH12 ARG 18 HH12 ARG 18 -4.860 7.383 -6.446 134 HH21 ARG 18 HH21 ARG 18 -5.422 4.382 -4.749 135 HH22 ARG 18 HH22 ARG 18 -6.067 5.537 -5.867 136 H CYS 19 HN CYS 19 -1.804 1.814 -0.749 137 HA CYS 19 HA CYS 19 -3.970 2.828 0.878 138 HB2 CYS 19 HB2 CYS 19 -4.734 1.107 -1.460 139 HB3 CYS 19 HB1 CYS 19 -5.754 2.150 -0.480 140 H CYS 20 HN CYS 20 -3.859 -0.241 -0.861 141 HA CYS 20 HA CYS 20 -4.205 -1.839 1.412 142 HB2 CYS 20 HB2 CYS 20 -4.134 -2.312 -1.348 143 HB3 CYS 20 HB1 CYS 20 -2.849 -3.309 -0.684 Start of MODEL 2 1 H1 TYR 1 HT1 TYR 1 7.657 1.013 -2.419 2 H2 TYR 1 HT2 TYR 1 7.689 1.784 -0.915 3 H3 TYR 1 HT3 TYR 1 7.768 2.699 -2.335 4 HA TYR 1 HA TYR 1 5.566 2.079 -2.950 5 HB2 TYR 1 HB2 TYR 1 4.232 0.903 -0.972 6 HB3 TYR 1 HB1 TYR 1 5.088 -0.053 -2.167 7 HD1 TYR 1 HD1 TYR 1 7.271 -1.105 -1.551 8 HD2 TYR 1 HD2 TYR 1 4.860 0.884 1.337 9 HE1 TYR 1 HE1 TYR 1 8.527 -2.207 0.250 10 HE2 TYR 1 HE2 TYR 1 6.112 -0.212 3.143 11 HH TYR 1 HH TYR 1 9.037 -1.846 2.628 12 H GLU 2 HN GLU 2 4.552 2.075 0.292 13 HA GLU 2 HA GLU 2 4.762 4.981 0.583 14 HB2 GLU 2 HB2 GLU 2 2.518 4.017 -0.506 15 HB3 GLU 2 HB1 GLU 2 2.112 3.729 1.179 16 HG2 GLU 2 HG2 GLU 2 1.185 5.806 0.768 17 HG3 GLU 2 HG1 GLU 2 2.724 6.210 1.522 18 H THR 3 HN THR 3 3.175 5.266 2.850 19 HA THR 3 HA THR 3 4.199 3.370 4.831 20 HB THR 3 HB THR 3 4.594 5.471 6.320 21 HG1 THR 3 HG1 THR 3 5.381 6.709 3.929 22 HG21 THR 3 HG21 THR 3 6.953 5.567 5.591 23 HG22 THR 3 HG22 THR 3 6.522 4.729 4.100 24 HG23 THR 3 HG23 THR 3 6.368 3.903 5.651 25 H GLY 4 HN GLY 4 2.039 5.970 4.018 26 HA2 GLY 4 HA2 GLY 4 0.473 6.025 6.367 27 HA3 GLY 4 HA1 GLY 4 -0.010 6.646 4.801 28 H CYS 5 HN CYS 5 -0.229 4.454 3.215 29 HA CYS 5 HA CYS 5 -1.685 2.834 2.587 30 HB2 CYS 5 HB2 CYS 5 -1.355 1.843 5.433 31 HB3 CYS 5 HB1 CYS 5 -1.986 0.907 4.083 32 H LYS 6 HN LYS 6 -3.559 3.784 2.103 33 HA LYS 6 HA LYS 6 -5.384 4.758 4.098 34 HB2 LYS 6 HB2 LYS 6 -4.887 5.641 1.669 35 HB3 LYS 6 HB1 LYS 6 -6.138 4.493 1.218 36 HG2 LYS 6 HG2 LYS 6 -7.709 5.608 2.723 37 HG3 LYS 6 HG1 LYS 6 -6.452 6.758 3.182 38 HD2 LYS 6 HD2 LYS 6 -6.308 7.522 0.859 39 HD3 LYS 6 HD1 LYS 6 -7.568 6.374 0.404 40 HE2 LYS 6 HE2 LYS 6 -9.137 7.505 1.903 41 HE3 LYS 6 HE1 LYS 6 -7.877 8.649 2.359 42 HZ1 LYS 6 HZ1 LYS 6 -9.347 9.575 0.684 43 HZ2 LYS 6 HZ2 LYS 6 -8.990 8.304 -0.373 44 HZ3 LYS 6 HZ3 LYS 6 -7.781 9.403 0.065 45 H ARG 7 HN ARG 7 -6.300 2.742 1.351 46 HA ARG 7 HA ARG 7 -7.773 0.980 3.187 47 HB2 ARG 7 HB2 ARG 7 -9.269 0.558 1.064 48 HB3 ARG 7 HB1 ARG 7 -9.548 1.977 2.056 49 HG2 ARG 7 HG2 ARG 7 -8.256 3.325 0.442 50 HG3 ARG 7 HG1 ARG 7 -8.057 1.891 -0.565 51 HD2 ARG 7 HD2 ARG 7 -10.490 1.717 -0.788 52 HD3 ARG 7 HD1 ARG 7 -10.681 3.157 0.209 53 HE ARG 7 HE ARG 7 -9.024 3.860 -1.897 54 HH11 ARG 7 HH11 ARG 7 -12.342 2.769 -1.527 55 HH12 ARG 7 HH12 ARG 7 -12.894 3.593 -2.946 56 HH21 ARG 7 HH21 ARG 7 -9.768 4.930 -3.753 57 HH22 ARG 7 HH22 ARG 7 -11.437 4.816 -4.204 58 H CYS 8 HN CYS 8 -7.327 0.481 -0.263 59 HA CYS 8 HA CYS 8 -5.039 -1.141 -0.067 60 HB2 CYS 8 HB2 CYS 8 -7.624 -2.543 0.154 61 HB3 CYS 8 HB1 CYS 8 -6.465 -3.236 -0.980 62 H CYS 9 HN CYS 9 -4.010 -0.860 -1.788 63 HA CYS 9 HA CYS 9 -5.438 -0.456 -4.314 64 HB2 CYS 9 HB2 CYS 9 -3.129 0.923 -3.055 65 HB3 CYS 9 HB1 CYS 9 -3.080 0.722 -4.804 66 H TYR 10 HN TYR 10 -2.343 -1.545 -3.021 67 HA TYR 10 HA TYR 10 -2.308 -3.898 -4.693 68 HB2 TYR 10 HB2 TYR 10 -0.929 -1.474 -5.496 69 HB3 TYR 10 HB1 TYR 10 0.202 -2.802 -5.271 70 HD1 TYR 10 HD1 TYR 10 -2.516 -1.474 -7.298 71 HD2 TYR 10 HD2 TYR 10 0.033 -4.822 -6.672 72 HE1 TYR 10 HE1 TYR 10 -3.123 -2.344 -9.517 73 HE2 TYR 10 HE2 TYR 10 -0.566 -5.701 -8.889 74 HH TYR 10 HH TYR 10 -2.191 -3.853 -11.222 75 H LEU 11 HN LEU 11 -0.073 -5.063 -4.392 76 HA LEU 11 HA LEU 11 0.861 -4.650 -1.629 77 HB2 LEU 11 HB2 LEU 11 0.663 -7.297 -3.071 78 HB3 LEU 11 HB1 LEU 11 1.091 -7.042 -1.391 79 HG LEU 11 HG LEU 11 -1.585 -6.149 -2.387 80 HD11 LEU 11 HD11 LEU 11 -0.867 -8.953 -1.567 81 HD12 LEU 11 HD12 LEU 11 -1.391 -8.424 -3.167 82 HD13 LEU 11 HD13 LEU 11 -2.504 -8.340 -1.801 83 HD21 LEU 11 HD21 LEU 11 -0.826 -5.495 -0.142 84 HD22 LEU 11 HD22 LEU 11 -0.649 -7.198 0.281 85 HD23 LEU 11 HD23 LEU 11 -2.244 -6.543 -0.090 86 H ASP 12 HN ASP 12 2.853 -3.911 -1.631 87 HA ASP 12 HA ASP 12 4.589 -4.369 -3.914 88 HB2 ASP 12 HB2 ASP 12 4.223 -2.146 -2.596 89 HB3 ASP 12 HB1 ASP 12 5.424 -2.811 -1.494 90 H GLU 13 HN GLU 13 5.370 -4.500 -0.398 91 HA GLU 13 HA GLU 13 6.986 -6.878 -0.974 92 HB2 GLU 13 HB2 GLU 13 8.013 -4.478 -0.268 93 HB3 GLU 13 HB1 GLU 13 7.799 -5.212 1.315 94 HG2 GLU 13 HG2 GLU 13 9.105 -7.149 0.567 95 HG3 GLU 13 HG1 GLU 13 9.359 -6.354 -0.985 96 H TYR 14 HN TYR 14 5.796 -5.189 1.896 97 HA TYR 14 HA TYR 14 5.275 -7.712 3.238 98 HB2 TYR 14 HB2 TYR 14 5.089 -4.844 4.162 99 HB3 TYR 14 HB1 TYR 14 4.644 -6.214 5.173 100 HD1 TYR 14 HD1 TYR 14 6.345 -7.702 6.071 101 HD2 TYR 14 HD2 TYR 14 7.414 -4.388 3.626 102 HE1 TYR 14 HE1 TYR 14 8.686 -7.934 6.790 103 HE2 TYR 14 HE2 TYR 14 9.758 -4.612 4.336 104 HH TYR 14 HH TYR 14 11.029 -5.549 6.219 105 H GLY 15 HN GLY 15 3.547 -5.317 1.504 106 HA2 GLY 15 HA2 GLY 15 1.352 -6.058 0.662 107 HA3 GLY 15 HA1 GLY 15 0.989 -6.557 2.303 108 H CYS 16 HN CYS 16 2.700 -3.590 1.797 109 HA CYS 16 HA CYS 16 0.226 -2.049 2.169 110 HB2 CYS 16 HB2 CYS 16 2.127 -2.414 4.160 111 HB3 CYS 16 HB1 CYS 16 2.535 -0.842 3.482 112 H ILE 17 HN ILE 17 -0.005 -0.462 0.791 113 HA ILE 17 HA ILE 17 2.319 0.838 -0.392 114 HB ILE 17 HB ILE 17 1.454 -1.030 -1.888 115 HG12 ILE 17 HG12 ILE 17 1.466 1.768 -3.059 116 HG13 ILE 17 HG11 ILE 17 2.892 0.814 -2.694 117 HG21 ILE 17 HG21 ILE 17 -0.931 -0.766 -1.574 118 HG22 ILE 17 HG22 ILE 17 -0.522 -0.580 -3.279 119 HG23 ILE 17 HG23 ILE 17 -0.876 0.842 -2.298 120 HD11 ILE 17 HD11 ILE 17 0.780 0.123 -4.730 121 HD12 ILE 17 HD12 ILE 17 2.215 -0.837 -4.368 122 HD13 ILE 17 HD13 ILE 17 2.385 0.772 -5.070 123 H ARG 18 HN ARG 18 0.488 2.290 -2.251 124 HA ARG 18 HA ARG 18 0.019 4.637 -0.857 125 HB2 ARG 18 HB2 ARG 18 0.198 4.153 -3.376 126 HB3 ARG 18 HB1 ARG 18 -1.515 3.774 -3.301 127 HG2 ARG 18 HG2 ARG 18 -1.770 6.127 -2.267 128 HG3 ARG 18 HG1 ARG 18 -0.153 6.417 -2.910 129 HD2 ARG 18 HD2 ARG 18 -1.759 7.186 -4.518 130 HD3 ARG 18 HD1 ARG 18 -0.986 5.735 -5.152 131 HE ARG 18 HE ARG 18 -3.152 4.672 -4.056 132 HH11 ARG 18 HH11 ARG 18 -2.902 7.558 -6.046 133 HH12 ARG 18 HH12 ARG 18 -4.501 7.392 -6.689 134 HH21 ARG 18 HH21 ARG 18 -5.243 4.479 -4.911 135 HH22 ARG 18 HH22 ARG 18 -5.825 5.650 -6.046 136 H CYS 19 HN CYS 19 -1.845 1.783 -0.775 137 HA CYS 19 HA CYS 19 -3.993 3.125 0.642 138 HB2 CYS 19 HB2 CYS 19 -4.675 1.116 -1.488 139 HB3 CYS 19 HB1 CYS 19 -5.755 2.219 -0.648 140 H CYS 20 HN CYS 20 -2.895 -0.023 -0.529 141 HA CYS 20 HA CYS 20 -4.069 -1.493 1.630 142 HB2 CYS 20 HB2 CYS 20 -3.283 -2.161 -0.879 143 HB3 CYS 20 HB1 CYS 20 -1.928 -2.775 0.052 Start of MODEL 3 1 H1 TYR 1 HT1 TYR 1 7.485 0.927 -2.797 2 H2 TYR 1 HT2 TYR 1 7.713 1.749 -1.337 3 H3 TYR 1 HT3 TYR 1 7.563 2.617 -2.780 4 HA TYR 1 HA TYR 1 5.314 1.933 -3.052 5 HB2 TYR 1 HB2 TYR 1 4.292 0.763 -0.905 6 HB3 TYR 1 HB1 TYR 1 5.053 -0.197 -2.157 7 HD1 TYR 1 HD1 TYR 1 5.220 0.915 1.306 8 HD2 TYR 1 HD2 TYR 1 7.295 -1.180 -1.763 9 HE1 TYR 1 HE1 TYR 1 6.717 -0.061 2.992 10 HE2 TYR 1 HE2 TYR 1 8.796 -2.162 -0.083 11 HH TYR 1 HH TYR 1 9.594 -1.669 2.190 12 H GLU 2 HN GLU 2 4.511 2.017 0.183 13 HA GLU 2 HA GLU 2 4.871 4.909 0.470 14 HB2 GLU 2 HB2 GLU 2 2.565 4.066 -0.574 15 HB3 GLU 2 HB1 GLU 2 2.177 3.771 1.112 16 HG2 GLU 2 HG2 GLU 2 1.319 5.889 0.688 17 HG3 GLU 2 HG1 GLU 2 2.845 6.207 1.510 18 H THR 3 HN THR 3 3.266 5.198 2.776 19 HA THR 3 HA THR 3 4.331 3.293 4.726 20 HB THR 3 HB THR 3 4.729 5.382 6.229 21 HG1 THR 3 HG1 THR 3 5.478 6.656 3.846 22 HG21 THR 3 HG21 THR 3 6.509 3.841 5.523 23 HG22 THR 3 HG22 THR 3 7.077 5.509 5.463 24 HG23 THR 3 HG23 THR 3 6.632 4.675 3.974 25 H GLY 4 HN GLY 4 2.143 5.892 3.967 26 HA2 GLY 4 HA2 GLY 4 0.595 5.860 6.341 27 HA3 GLY 4 HA1 GLY 4 0.108 6.555 4.806 28 H CYS 5 HN CYS 5 -0.127 4.464 3.113 29 HA CYS 5 HA CYS 5 -1.588 2.887 2.400 30 HB2 CYS 5 HB2 CYS 5 -1.120 1.708 5.153 31 HB3 CYS 5 HB1 CYS 5 -1.830 0.855 3.785 32 H LYS 6 HN LYS 6 -3.463 3.865 2.032 33 HA LYS 6 HA LYS 6 -5.270 4.668 4.107 34 HB2 LYS 6 HB2 LYS 6 -4.836 5.679 1.715 35 HB3 LYS 6 HB1 LYS 6 -6.090 4.544 1.240 36 HG2 LYS 6 HG2 LYS 6 -7.627 5.565 2.847 37 HG3 LYS 6 HG1 LYS 6 -6.367 6.705 3.324 38 HD2 LYS 6 HD2 LYS 6 -6.303 7.586 1.041 39 HD3 LYS 6 HD1 LYS 6 -7.560 6.444 0.563 40 HE2 LYS 6 HE2 LYS 6 -9.100 7.474 2.162 41 HE3 LYS 6 HE1 LYS 6 -7.843 8.615 2.638 42 HZ1 LYS 6 HZ1 LYS 6 -7.827 9.482 0.383 43 HZ2 LYS 6 HZ2 LYS 6 -9.375 9.598 1.053 44 HZ3 LYS 6 HZ3 LYS 6 -9.031 8.385 -0.075 45 H ARG 7 HN ARG 7 -6.279 2.815 1.282 46 HA ARG 7 HA ARG 7 -7.715 0.967 3.063 47 HB2 ARG 7 HB2 ARG 7 -9.249 2.424 1.836 48 HB3 ARG 7 HB1 ARG 7 -8.514 1.957 0.311 49 HG2 ARG 7 HG2 ARG 7 -9.472 -0.156 0.347 50 HG3 ARG 7 HG1 ARG 7 -9.765 -0.102 2.085 51 HD2 ARG 7 HD2 ARG 7 -11.151 1.728 0.135 52 HD3 ARG 7 HD1 ARG 7 -11.800 0.153 0.589 53 HE ARG 7 HE ARG 7 -11.241 1.618 2.921 54 HH11 ARG 7 HH11 ARG 7 -13.521 1.657 0.250 55 HH12 ARG 7 HH12 ARG 7 -14.773 2.413 1.179 56 HH21 ARG 7 HH21 ARG 7 -12.893 2.607 4.117 57 HH22 ARG 7 HH22 ARG 7 -14.415 2.950 3.366 58 H CYS 8 HN CYS 8 -7.709 0.315 -0.330 59 HA CYS 8 HA CYS 8 -5.431 -1.473 -0.143 60 HB2 CYS 8 HB2 CYS 8 -7.478 -2.797 0.499 61 HB3 CYS 8 HB1 CYS 8 -8.071 -2.536 -1.141 62 H CYS 9 HN CYS 9 -4.183 -0.954 -1.740 63 HA CYS 9 HA CYS 9 -5.364 -0.330 -4.349 64 HB2 CYS 9 HB2 CYS 9 -3.189 1.011 -2.813 65 HB3 CYS 9 HB1 CYS 9 -3.056 0.966 -4.568 66 H TYR 10 HN TYR 10 -2.422 -1.495 -2.792 67 HA TYR 10 HA TYR 10 -2.149 -3.702 -4.599 68 HB2 TYR 10 HB2 TYR 10 -0.938 -1.228 -5.342 69 HB3 TYR 10 HB1 TYR 10 0.346 -2.348 -4.903 70 HD1 TYR 10 HD1 TYR 10 0.703 -4.386 -6.182 71 HD2 TYR 10 HD2 TYR 10 -2.325 -1.607 -7.266 72 HE1 TYR 10 HE1 TYR 10 0.519 -5.462 -8.391 73 HE2 TYR 10 HE2 TYR 10 -2.523 -2.672 -9.479 74 HH TYR 10 HH TYR 10 -1.155 -4.055 -10.985 75 H LEU 11 HN LEU 11 0.068 -4.808 -4.242 76 HA LEU 11 HA LEU 11 1.000 -4.446 -1.479 77 HB2 LEU 11 HB2 LEU 11 0.502 -7.110 -2.816 78 HB3 LEU 11 HB1 LEU 11 1.088 -6.864 -1.181 79 HG LEU 11 HG LEU 11 -1.276 -5.448 -1.204 80 HD11 LEU 11 HD11 LEU 11 -1.673 -7.984 -2.771 81 HD12 LEU 11 HD12 LEU 11 -1.861 -6.338 -3.379 82 HD13 LEU 11 HD13 LEU 11 -2.949 -6.948 -2.133 83 HD21 LEU 11 HD21 LEU 11 -0.696 -6.735 0.665 84 HD22 LEU 11 HD22 LEU 11 -0.569 -8.216 -0.282 85 HD23 LEU 11 HD23 LEU 11 -2.151 -7.502 0.031 86 H ASP 12 HN ASP 12 2.998 -3.710 -1.698 87 HA ASP 12 HA ASP 12 4.624 -4.505 -3.972 88 HB2 ASP 12 HB2 ASP 12 4.390 -2.136 -2.993 89 HB3 ASP 12 HB1 ASP 12 5.530 -2.677 -1.767 90 H GLU 13 HN GLU 13 5.204 -4.494 -0.414 91 HA GLU 13 HA GLU 13 7.037 -6.745 -0.840 92 HB2 GLU 13 HB2 GLU 13 7.821 -4.296 -0.018 93 HB3 GLU 13 HB1 GLU 13 7.486 -5.053 1.534 94 HG2 GLU 13 HG2 GLU 13 8.988 -6.896 0.932 95 HG3 GLU 13 HG1 GLU 13 9.355 -6.076 -0.585 96 H TYR 14 HN TYR 14 5.781 -5.276 2.105 97 HA TYR 14 HA TYR 14 5.043 -7.886 3.142 98 HB2 TYR 14 HB2 TYR 14 5.059 -5.132 4.381 99 HB3 TYR 14 HB1 TYR 14 4.489 -6.565 5.228 100 HD1 TYR 14 HD1 TYR 14 6.049 -8.275 5.973 101 HD2 TYR 14 HD2 TYR 14 7.424 -4.808 3.926 102 HE1 TYR 14 HE1 TYR 14 8.350 -8.772 6.688 103 HE2 TYR 14 HE2 TYR 14 9.728 -5.296 4.634 104 HH TYR 14 HH TYR 14 10.884 -6.534 6.416 105 H GLY 15 HN GLY 15 3.541 -5.206 1.637 106 HA2 GLY 15 HA2 GLY 15 1.311 -5.678 0.703 107 HA3 GLY 15 HA1 GLY 15 0.878 -6.320 2.280 108 H CYS 16 HN CYS 16 2.730 -3.384 1.673 109 HA CYS 16 HA CYS 16 0.428 -1.751 2.455 110 HB2 CYS 16 HB2 CYS 16 2.269 -2.375 4.326 111 HB3 CYS 16 HB1 CYS 16 3.035 -0.951 3.629 112 H ILE 17 HN ILE 17 0.113 -0.380 0.899 113 HA ILE 17 HA ILE 17 2.349 1.164 -0.200 114 HB ILE 17 HB ILE 17 1.690 -0.754 -1.730 115 HG12 ILE 17 HG12 ILE 17 1.427 2.056 -2.839 116 HG13 ILE 17 HG11 ILE 17 2.933 1.212 -2.535 117 HG21 ILE 17 HG21 ILE 17 -0.327 -0.502 -3.119 118 HG22 ILE 17 HG22 ILE 17 -0.827 0.867 -2.125 119 HG23 ILE 17 HG23 ILE 17 -0.715 -0.744 -1.415 120 HD11 ILE 17 HD11 ILE 17 2.384 1.203 -4.897 121 HD12 ILE 17 HD12 ILE 17 0.838 0.427 -4.552 122 HD13 ILE 17 HD13 ILE 17 2.347 -0.436 -4.250 123 H ARG 18 HN ARG 18 0.444 2.495 -2.085 124 HA ARG 18 HA ARG 18 -0.277 4.768 -0.720 125 HB2 ARG 18 HB2 ARG 18 -1.020 3.494 -3.294 126 HB3 ARG 18 HB1 ARG 18 -2.072 4.784 -2.735 127 HG2 ARG 18 HG2 ARG 18 -0.543 5.862 -4.120 128 HG3 ARG 18 HG1 ARG 18 0.071 6.178 -2.500 129 HD2 ARG 18 HD2 ARG 18 1.893 5.590 -3.994 130 HD3 ARG 18 HD1 ARG 18 1.688 4.343 -2.767 131 HE ARG 18 HE ARG 18 0.348 3.180 -4.642 132 HH11 ARG 18 HH11 ARG 18 3.211 5.143 -5.179 133 HH12 ARG 18 HH12 ARG 18 3.664 4.293 -6.618 134 HH21 ARG 18 HH21 ARG 18 0.959 2.085 -6.530 135 HH22 ARG 18 HH22 ARG 18 2.389 2.563 -7.381 136 H CYS 19 HN CYS 19 -1.894 1.750 -0.774 137 HA CYS 19 HA CYS 19 -4.003 2.735 0.955 138 HB2 CYS 19 HB2 CYS 19 -4.748 0.964 -1.356 139 HB3 CYS 19 HB1 CYS 19 -5.807 1.895 -0.308 140 H CYS 20 HN CYS 20 -3.788 -0.362 -0.726 141 HA CYS 20 HA CYS 20 -4.037 -1.943 1.558 142 HB2 CYS 20 HB2 CYS 20 -3.902 -2.449 -1.200 143 HB3 CYS 20 HB1 CYS 20 -2.578 -3.367 -0.500 Start of MODEL 4 1 H1 TYR 1 HT1 TYR 1 7.598 1.772 -1.588 2 H2 TYR 1 HT2 TYR 1 7.290 2.631 -3.012 3 H3 TYR 1 HT3 TYR 1 7.244 0.939 -3.019 4 HA TYR 1 HA TYR 1 5.039 1.903 -3.059 5 HB2 TYR 1 HB2 TYR 1 4.215 0.688 -0.893 6 HB3 TYR 1 HB1 TYR 1 5.000 -0.259 -2.143 7 HD1 TYR 1 HD1 TYR 1 7.328 -1.063 -1.790 8 HD2 TYR 1 HD2 TYR 1 5.170 0.926 1.288 9 HE1 TYR 1 HE1 TYR 1 8.932 -1.906 -0.130 10 HE2 TYR 1 HE2 TYR 1 6.769 0.091 2.957 11 HH TYR 1 HH TYR 1 9.738 -1.318 2.117 12 H GLU 2 HN GLU 2 4.348 2.001 0.142 13 HA GLU 2 HA GLU 2 4.829 4.873 0.485 14 HB2 GLU 2 HB2 GLU 2 2.492 4.158 -0.568 15 HB3 GLU 2 HB1 GLU 2 2.093 3.816 1.106 16 HG2 GLU 2 HG2 GLU 2 1.305 5.977 0.736 17 HG3 GLU 2 HG1 GLU 2 2.822 6.208 1.599 18 H THR 3 HN THR 3 3.200 5.140 2.812 19 HA THR 3 HA THR 3 4.251 3.173 4.707 20 HB THR 3 HB THR 3 4.682 5.212 6.267 21 HG1 THR 3 HG1 THR 3 5.435 6.556 3.929 22 HG21 THR 3 HG21 THR 3 6.442 3.676 5.499 23 HG22 THR 3 HG22 THR 3 7.025 5.341 5.489 24 HG23 THR 3 HG23 THR 3 6.561 4.560 3.978 25 H GLY 4 HN GLY 4 2.090 5.823 4.043 26 HA2 GLY 4 HA2 GLY 4 0.555 5.724 6.425 27 HA3 GLY 4 HA1 GLY 4 0.071 6.487 4.921 28 H CYS 5 HN CYS 5 -0.172 4.447 3.155 29 HA CYS 5 HA CYS 5 -1.650 2.918 2.380 30 HB2 CYS 5 HB2 CYS 5 -1.295 1.617 5.094 31 HB3 CYS 5 HB1 CYS 5 -1.887 0.832 3.632 32 H LYS 6 HN LYS 6 -3.515 3.927 2.025 33 HA LYS 6 HA LYS 6 -5.319 4.730 4.089 34 HB2 LYS 6 HB2 LYS 6 -4.895 5.713 1.686 35 HB3 LYS 6 HB1 LYS 6 -6.157 4.581 1.230 36 HG2 LYS 6 HG2 LYS 6 -7.680 5.629 2.832 37 HG3 LYS 6 HG1 LYS 6 -6.408 6.763 3.294 38 HD2 LYS 6 HD2 LYS 6 -6.347 7.621 0.999 39 HD3 LYS 6 HD1 LYS 6 -7.619 6.487 0.541 40 HE2 LYS 6 HE2 LYS 6 -9.137 7.550 2.138 41 HE3 LYS 6 HE1 LYS 6 -7.865 8.681 2.597 42 HZ1 LYS 6 HZ1 LYS 6 -7.851 9.525 0.331 43 HZ2 LYS 6 HZ2 LYS 6 -9.393 9.669 1.011 44 HZ3 LYS 6 HZ3 LYS 6 -9.074 8.440 -0.106 45 H ARG 7 HN ARG 7 -6.362 2.846 1.294 46 HA ARG 7 HA ARG 7 -7.790 1.039 3.121 47 HB2 ARG 7 HB2 ARG 7 -9.362 0.697 1.053 48 HB3 ARG 7 HB1 ARG 7 -9.561 2.120 2.058 49 HG2 ARG 7 HG2 ARG 7 -8.288 3.437 0.411 50 HG3 ARG 7 HG1 ARG 7 -8.150 2.003 -0.605 51 HD2 ARG 7 HD2 ARG 7 -10.591 1.888 -0.767 52 HD3 ARG 7 HD1 ARG 7 -10.723 3.329 0.241 53 HE ARG 7 HE ARG 7 -9.100 3.986 -1.914 54 HH11 ARG 7 HH11 ARG 7 -12.444 3.033 -1.422 55 HH12 ARG 7 HH12 ARG 7 -13.013 3.890 -2.816 56 HH21 ARG 7 HH21 ARG 7 -9.867 5.101 -3.733 57 HH22 ARG 7 HH22 ARG 7 -11.554 5.060 -4.122 58 H CYS 8 HN CYS 8 -7.568 0.496 -0.334 59 HA CYS 8 HA CYS 8 -5.348 -1.317 -0.097 60 HB2 CYS 8 HB2 CYS 8 -7.318 -2.704 0.624 61 HB3 CYS 8 HB1 CYS 8 -7.980 -2.491 -0.996 62 H CYS 9 HN CYS 9 -4.140 -0.901 -1.776 63 HA CYS 9 HA CYS 9 -5.412 -0.358 -4.362 64 HB2 CYS 9 HB2 CYS 9 -3.169 1.020 -2.963 65 HB3 CYS 9 HB1 CYS 9 -3.107 0.915 -4.720 66 H TYR 10 HN TYR 10 -2.395 -1.468 -2.908 67 HA TYR 10 HA TYR 10 -2.199 -3.731 -4.682 68 HB2 TYR 10 HB2 TYR 10 -0.856 -1.253 -5.349 69 HB3 TYR 10 HB1 TYR 10 0.312 -2.542 -5.083 70 HD1 TYR 10 HD1 TYR 10 0.287 -4.551 -6.521 71 HD2 TYR 10 HD2 TYR 10 -2.313 -1.263 -7.254 72 HE1 TYR 10 HE1 TYR 10 -0.142 -5.404 -8.787 73 HE2 TYR 10 HE2 TYR 10 -2.751 -2.109 -9.522 74 HH TYR 10 HH TYR 10 -1.875 -5.229 -10.522 75 H LEU 11 HN LEU 11 0.025 -4.872 -4.317 76 HA LEU 11 HA LEU 11 0.924 -4.467 -1.545 77 HB2 LEU 11 HB2 LEU 11 0.539 -7.152 -2.874 78 HB3 LEU 11 HB1 LEU 11 1.015 -6.864 -1.213 79 HG LEU 11 HG LEU 11 -1.616 -5.839 -2.200 80 HD11 LEU 11 HD11 LEU 11 -1.578 -8.155 -2.885 81 HD12 LEU 11 HD12 LEU 11 -2.662 -7.940 -1.510 82 HD13 LEU 11 HD13 LEU 11 -1.063 -8.647 -1.272 83 HD21 LEU 11 HD21 LEU 11 -2.253 -6.142 0.135 84 HD22 LEU 11 HD22 LEU 11 -0.817 -5.128 -0.005 85 HD23 LEU 11 HD23 LEU 11 -0.661 -6.813 0.490 86 H ASP 12 HN ASP 12 2.956 -3.826 -1.604 87 HA ASP 12 HA ASP 12 4.642 -4.507 -3.865 88 HB2 ASP 12 HB2 ASP 12 4.793 -2.560 -1.635 89 HB3 ASP 12 HB1 ASP 12 6.317 -3.087 -2.343 90 H GLU 13 HN GLU 13 5.486 -4.603 -0.366 91 HA GLU 13 HA GLU 13 6.899 -7.123 -0.920 92 HB2 GLU 13 HB2 GLU 13 7.793 -4.807 0.783 93 HB3 GLU 13 HB1 GLU 13 8.510 -6.405 0.918 94 HG2 GLU 13 HG2 GLU 13 8.402 -4.961 -1.706 95 HG3 GLU 13 HG1 GLU 13 9.686 -4.657 -0.538 96 H TYR 14 HN TYR 14 5.878 -5.235 1.885 97 HA TYR 14 HA TYR 14 5.234 -7.658 3.355 98 HB2 TYR 14 HB2 TYR 14 5.222 -4.745 4.160 99 HB3 TYR 14 HB1 TYR 14 4.760 -6.056 5.238 100 HD1 TYR 14 HD1 TYR 14 7.544 -4.406 3.525 101 HD2 TYR 14 HD2 TYR 14 6.434 -7.576 6.137 102 HE1 TYR 14 HE1 TYR 14 9.901 -4.697 4.167 103 HE2 TYR 14 HE2 TYR 14 8.786 -7.875 6.787 104 HH TYR 14 HH TYR 14 11.021 -7.402 5.878 105 H GLY 15 HN GLY 15 3.644 -5.210 1.553 106 HA2 GLY 15 HA2 GLY 15 1.404 -5.734 0.740 107 HA3 GLY 15 HA1 GLY 15 1.028 -6.329 2.347 108 H CYS 16 HN CYS 16 2.819 -3.371 1.750 109 HA CYS 16 HA CYS 16 0.454 -1.779 2.426 110 HB2 CYS 16 HB2 CYS 16 2.310 -2.319 4.330 111 HB3 CYS 16 HB1 CYS 16 2.982 -0.846 3.640 112 H ILE 17 HN ILE 17 0.135 -0.349 0.943 113 HA ILE 17 HA ILE 17 2.349 1.166 -0.213 114 HB ILE 17 HB ILE 17 1.647 -0.745 -1.735 115 HG12 ILE 17 HG12 ILE 17 1.355 2.060 -2.853 116 HG13 ILE 17 HG11 ILE 17 2.874 1.238 -2.551 117 HG21 ILE 17 HG21 ILE 17 -0.747 -0.725 -1.370 118 HG22 ILE 17 HG22 ILE 17 -0.395 -0.476 -3.079 119 HG23 ILE 17 HG23 ILE 17 -0.868 0.890 -2.071 120 HD11 ILE 17 HD11 ILE 17 2.301 1.195 -4.912 121 HD12 ILE 17 HD12 ILE 17 0.774 0.396 -4.541 122 HD13 ILE 17 HD13 ILE 17 2.298 -0.437 -4.243 123 H ARG 18 HN ARG 18 0.460 2.545 -2.038 124 HA ARG 18 HA ARG 18 -0.228 4.785 -0.584 125 HB2 ARG 18 HB2 ARG 18 -0.041 4.386 -3.125 126 HB3 ARG 18 HB1 ARG 18 -1.723 3.889 -3.038 127 HG2 ARG 18 HG2 ARG 18 -2.159 6.170 -1.958 128 HG3 ARG 18 HG1 ARG 18 -0.546 6.604 -2.525 129 HD2 ARG 18 HD2 ARG 18 -2.127 7.336 -4.165 130 HD3 ARG 18 HD1 ARG 18 -1.255 5.955 -4.827 131 HE ARG 18 HE ARG 18 -3.395 4.735 -3.847 132 HH11 ARG 18 HH11 ARG 18 -3.237 7.705 -5.717 133 HH12 ARG 18 HH12 ARG 18 -4.803 7.479 -6.422 134 HH21 ARG 18 HH21 ARG 18 -5.442 4.463 -4.781 135 HH22 ARG 18 HH22 ARG 18 -6.049 5.645 -5.892 136 H CYS 19 HN CYS 19 -1.914 1.798 -0.787 137 HA CYS 19 HA CYS 19 -4.058 2.820 0.873 138 HB2 CYS 19 HB2 CYS 19 -4.810 1.064 -1.431 139 HB3 CYS 19 HB1 CYS 19 -5.835 2.118 -0.468 140 H CYS 20 HN CYS 20 -3.004 -0.135 -0.794 141 HA CYS 20 HA CYS 20 -3.772 -1.737 1.516 142 HB2 CYS 20 HB2 CYS 20 -3.835 -2.274 -1.209 143 HB3 CYS 20 HB1 CYS 20 -2.459 -3.205 -0.640 Start of MODEL 5 1 H1 TYR 1 HT1 TYR 1 7.555 0.956 -2.279 2 H2 TYR 1 HT2 TYR 1 7.562 1.810 -0.820 3 H3 TYR 1 HT3 TYR 1 7.711 2.641 -2.286 4 HA TYR 1 HA TYR 1 5.513 2.048 -2.935 5 HB2 TYR 1 HB2 TYR 1 4.061 1.006 -0.994 6 HB3 TYR 1 HB1 TYR 1 4.995 -0.043 -2.041 7 HD1 TYR 1 HD1 TYR 1 7.208 -0.953 -1.170 8 HD2 TYR 1 HD2 TYR 1 4.411 1.026 1.355 9 HE1 TYR 1 HE1 TYR 1 8.300 -1.930 0.801 10 HE2 TYR 1 HE2 TYR 1 5.501 0.057 3.329 11 HH TYR 1 HH TYR 1 6.907 -1.880 3.889 12 H GLU 2 HN GLU 2 4.560 2.236 0.340 13 HA GLU 2 HA GLU 2 4.727 5.156 0.423 14 HB2 GLU 2 HB2 GLU 2 2.458 4.097 -0.508 15 HB3 GLU 2 HB1 GLU 2 2.124 3.898 1.206 16 HG2 GLU 2 HG2 GLU 2 1.143 5.935 0.693 17 HG3 GLU 2 HG1 GLU 2 2.688 6.398 1.400 18 H THR 3 HN THR 3 3.117 5.448 2.756 19 HA THR 3 HA THR 3 4.391 3.755 4.777 20 HB THR 3 HB THR 3 4.628 5.952 6.156 21 HG1 THR 3 HG1 THR 3 5.208 7.145 3.685 22 HG21 THR 3 HG21 THR 3 6.939 6.240 5.335 23 HG22 THR 3 HG22 THR 3 6.544 5.294 3.900 24 HG23 THR 3 HG23 THR 3 6.523 4.533 5.490 25 H GLY 4 HN GLY 4 1.960 6.090 3.932 26 HA2 GLY 4 HA2 GLY 4 0.484 6.005 6.366 27 HA3 GLY 4 HA1 GLY 4 -0.071 6.671 4.842 28 H CYS 5 HN CYS 5 -0.198 4.525 3.157 29 HA CYS 5 HA CYS 5 -1.595 2.875 2.489 30 HB2 CYS 5 HB2 CYS 5 -1.030 1.791 5.262 31 HB3 CYS 5 HB1 CYS 5 -1.806 0.879 3.971 32 H LYS 6 HN LYS 6 -3.493 3.787 2.104 33 HA LYS 6 HA LYS 6 -5.313 4.635 4.141 34 HB2 LYS 6 HB2 LYS 6 -4.890 5.636 1.793 35 HB3 LYS 6 HB1 LYS 6 -5.995 4.392 1.227 36 HG2 LYS 6 HG2 LYS 6 -7.746 5.281 2.694 37 HG3 LYS 6 HG1 LYS 6 -6.633 6.530 3.257 38 HD2 LYS 6 HD2 LYS 6 -6.457 7.400 0.974 39 HD3 LYS 6 HD1 LYS 6 -7.570 6.149 0.413 40 HE2 LYS 6 HE2 LYS 6 -9.317 7.054 1.869 41 HE3 LYS 6 HE1 LYS 6 -8.204 8.302 2.429 42 HZ1 LYS 6 HZ1 LYS 6 -9.145 7.954 -0.367 43 HZ2 LYS 6 HZ2 LYS 6 -8.079 9.152 0.169 44 HZ3 LYS 6 HZ3 LYS 6 -9.680 9.141 0.715 45 H ARG 7 HN ARG 7 -6.315 2.670 1.393 46 HA ARG 7 HA ARG 7 -7.642 0.816 3.250 47 HB2 ARG 7 HB2 ARG 7 -9.303 0.485 1.236 48 HB3 ARG 7 HB1 ARG 7 -9.506 1.854 2.314 49 HG2 ARG 7 HG2 ARG 7 -8.443 3.320 0.693 50 HG3 ARG 7 HG1 ARG 7 -8.146 1.950 -0.378 51 HD2 ARG 7 HD2 ARG 7 -10.563 1.582 -0.561 52 HD3 ARG 7 HD1 ARG 7 -10.850 2.962 0.498 53 HE ARG 7 HE ARG 7 -9.314 3.910 -1.587 54 HH11 ARG 7 HH11 ARG 7 -12.481 2.426 -1.282 55 HH12 ARG 7 HH12 ARG 7 -13.120 3.234 -2.675 56 HH21 ARG 7 HH21 ARG 7 -10.171 4.956 -3.406 57 HH22 ARG 7 HH22 ARG 7 -11.813 4.664 -3.875 58 H CYS 8 HN CYS 8 -7.502 0.462 -0.242 59 HA CYS 8 HA CYS 8 -5.234 -1.279 -0.181 60 HB2 CYS 8 HB2 CYS 8 -7.215 -2.743 0.538 61 HB3 CYS 8 HB1 CYS 8 -7.758 -2.598 -1.134 62 H CYS 9 HN CYS 9 -4.146 -1.135 -1.959 63 HA CYS 9 HA CYS 9 -5.493 -0.352 -4.440 64 HB2 CYS 9 HB2 CYS 9 -3.267 0.990 -2.997 65 HB3 CYS 9 HB1 CYS 9 -3.166 0.937 -4.754 66 H TYR 10 HN TYR 10 -2.484 -1.516 -3.052 67 HA TYR 10 HA TYR 10 -2.214 -3.659 -4.955 68 HB2 TYR 10 HB2 TYR 10 -0.906 -1.115 -5.426 69 HB3 TYR 10 HB1 TYR 10 0.288 -2.386 -5.195 70 HD1 TYR 10 HD1 TYR 10 -2.347 -1.096 -7.360 71 HD2 TYR 10 HD2 TYR 10 0.419 -4.273 -6.762 72 HE1 TYR 10 HE1 TYR 10 -2.687 -1.821 -9.685 73 HE2 TYR 10 HE2 TYR 10 0.088 -5.007 -9.086 74 HH TYR 10 HH TYR 10 -1.614 -4.820 -10.851 75 H LEU 11 HN LEU 11 0.135 -4.691 -4.581 76 HA LEU 11 HA LEU 11 0.840 -4.486 -1.737 77 HB2 LEU 11 HB2 LEU 11 0.645 -7.070 -3.290 78 HB3 LEU 11 HB1 LEU 11 1.066 -6.899 -1.595 79 HG LEU 11 HG LEU 11 -1.591 -5.923 -2.571 80 HD11 LEU 11 HD11 LEU 11 -0.918 -8.767 -1.855 81 HD12 LEU 11 HD12 LEU 11 -1.418 -8.171 -3.438 82 HD13 LEU 11 HD13 LEU 11 -2.543 -8.122 -2.081 83 HD21 LEU 11 HD21 LEU 11 -0.687 -7.096 0.057 84 HD22 LEU 11 HD22 LEU 11 -2.267 -6.395 -0.295 85 HD23 LEU 11 HD23 LEU 11 -0.829 -5.374 -0.296 86 H ASP 12 HN ASP 12 2.866 -3.866 -1.550 87 HA ASP 12 HA ASP 12 4.683 -4.189 -3.794 88 HB2 ASP 12 HB2 ASP 12 4.317 -2.101 -2.248 89 HB3 ASP 12 HB1 ASP 12 5.513 -2.897 -1.233 90 H GLU 13 HN GLU 13 5.409 -4.590 -0.295 91 HA GLU 13 HA GLU 13 6.900 -7.024 -1.009 92 HB2 GLU 13 HB2 GLU 13 7.677 -4.854 0.930 93 HB3 GLU 13 HB1 GLU 13 8.451 -6.432 0.903 94 HG2 GLU 13 HG2 GLU 13 9.138 -6.037 -1.416 95 HG3 GLU 13 HG1 GLU 13 8.394 -4.441 -1.350 96 H TYR 14 HN TYR 14 5.841 -5.403 1.934 97 HA TYR 14 HA TYR 14 5.229 -7.935 3.204 98 HB2 TYR 14 HB2 TYR 14 5.039 -5.107 4.252 99 HB3 TYR 14 HB1 TYR 14 4.774 -6.557 5.213 100 HD1 TYR 14 HD1 TYR 14 7.278 -4.457 3.559 101 HD2 TYR 14 HD2 TYR 14 6.643 -7.968 5.876 102 HE1 TYR 14 HE1 TYR 14 9.683 -4.552 4.067 103 HE2 TYR 14 HE2 TYR 14 9.045 -8.071 6.391 104 HH TYR 14 HH TYR 14 11.168 -5.496 5.781 105 H GLY 15 HN GLY 15 3.542 -5.316 1.703 106 HA2 GLY 15 HA2 GLY 15 1.287 -6.157 0.872 107 HA3 GLY 15 HA1 GLY 15 0.957 -6.442 2.571 108 H CYS 16 HN CYS 16 2.811 -3.714 2.460 109 HA CYS 16 HA CYS 16 0.430 -2.009 2.593 110 HB2 CYS 16 HB2 CYS 16 2.563 -2.228 4.333 111 HB3 CYS 16 HB1 CYS 16 2.964 -0.787 3.403 112 H ILE 17 HN ILE 17 0.054 -0.535 1.139 113 HA ILE 17 HA ILE 17 2.168 0.456 -0.600 114 HB ILE 17 HB ILE 17 0.555 -1.553 -1.419 115 HG12 ILE 17 HG12 ILE 17 2.581 -0.560 -2.551 116 HG13 ILE 17 HG11 ILE 17 1.359 -1.243 -3.602 117 HG21 ILE 17 HG21 ILE 17 -1.053 -0.565 -3.116 118 HG22 ILE 17 HG22 ILE 17 -0.951 0.918 -2.169 119 HG23 ILE 17 HG23 ILE 17 -1.541 -0.566 -1.421 120 HD11 ILE 17 HD11 ILE 17 2.145 0.751 -4.625 121 HD12 ILE 17 HD12 ILE 17 1.953 1.674 -3.135 122 HD13 ILE 17 HD13 ILE 17 0.530 1.102 -4.006 123 H ARG 18 HN ARG 18 0.480 2.042 -2.253 124 HA ARG 18 HA ARG 18 0.144 4.394 -0.796 125 HB2 ARG 18 HB2 ARG 18 -0.930 3.443 -3.437 126 HB3 ARG 18 HB1 ARG 18 -1.309 5.046 -2.823 127 HG2 ARG 18 HG2 ARG 18 0.992 5.684 -2.859 128 HG3 ARG 18 HG1 ARG 18 1.499 4.031 -3.211 129 HD2 ARG 18 HD2 ARG 18 -0.268 5.646 -5.039 130 HD3 ARG 18 HD1 ARG 18 1.489 5.619 -5.172 131 HE ARG 18 HE ARG 18 0.373 2.989 -5.179 132 HH11 ARG 18 HH11 ARG 18 0.972 5.759 -7.256 133 HH12 ARG 18 HH12 ARG 18 1.001 4.810 -8.705 134 HH21 ARG 18 HH21 ARG 18 0.416 1.769 -7.088 135 HH22 ARG 18 HH22 ARG 18 0.686 2.553 -8.609 136 H CYS 19 HN CYS 19 -1.857 1.681 -0.711 137 HA CYS 19 HA CYS 19 -3.904 3.115 0.738 138 HB2 CYS 19 HB2 CYS 19 -4.804 1.209 -1.401 139 HB3 CYS 19 HB1 CYS 19 -5.764 2.378 -0.505 140 H CYS 20 HN CYS 20 -2.998 -0.062 -0.538 141 HA CYS 20 HA CYS 20 -4.212 -1.482 1.633 142 HB2 CYS 20 HB2 CYS 20 -3.478 -2.218 -0.904 143 HB3 CYS 20 HB1 CYS 20 -2.219 -2.969 0.067 Start of MODEL 6 1 H1 TYR 1 HT1 TYR 1 7.349 2.676 -3.493 2 H2 TYR 1 HT2 TYR 1 7.244 0.993 -3.632 3 H3 TYR 1 HT3 TYR 1 7.721 1.691 -2.169 4 HA TYR 1 HA TYR 1 5.074 2.019 -3.442 5 HB2 TYR 1 HB2 TYR 1 4.300 0.618 -1.427 6 HB3 TYR 1 HB1 TYR 1 5.156 -0.242 -2.691 7 HD1 TYR 1 HD1 TYR 1 5.149 0.753 0.796 8 HD2 TYR 1 HD2 TYR 1 7.506 -0.984 -2.290 9 HE1 TYR 1 HE1 TYR 1 6.707 -0.121 2.484 10 HE2 TYR 1 HE2 TYR 1 9.070 -1.863 -0.610 11 HH TYR 1 HH TYR 1 9.759 -1.376 1.699 12 H GLU 2 HN GLU 2 4.092 2.014 -0.543 13 HA GLU 2 HA GLU 2 5.013 4.654 0.345 14 HB2 GLU 2 HB2 GLU 2 2.940 4.770 -1.182 15 HB3 GLU 2 HB1 GLU 2 2.071 3.963 0.109 16 HG2 GLU 2 HG2 GLU 2 1.579 6.261 0.281 17 HG3 GLU 2 HG1 GLU 2 2.685 5.891 1.598 18 H THR 3 HN THR 3 3.699 5.120 2.547 19 HA THR 3 HA THR 3 3.430 2.653 4.105 20 HB THR 3 HB THR 3 4.623 3.919 6.020 21 HG1 THR 3 HG1 THR 3 5.914 5.203 3.828 22 HG21 THR 3 HG21 THR 3 6.205 2.883 3.649 23 HG22 THR 3 HG22 THR 3 5.524 1.902 4.946 24 HG23 THR 3 HG23 THR 3 6.817 3.050 5.295 25 H GLY 4 HN GLY 4 1.826 2.659 5.473 26 HA2 GLY 4 HA2 GLY 4 0.558 4.035 7.166 27 HA3 GLY 4 HA1 GLY 4 0.304 5.165 5.841 28 H CYS 5 HN CYS 5 -0.129 3.236 3.787 29 HA CYS 5 HA CYS 5 -1.856 2.263 2.712 30 HB2 CYS 5 HB2 CYS 5 -2.867 0.582 4.861 31 HB3 CYS 5 HB1 CYS 5 -2.084 0.120 3.358 32 H LYS 6 HN LYS 6 -3.327 3.823 2.304 33 HA LYS 6 HA LYS 6 -5.138 4.881 4.216 34 HB2 LYS 6 HB2 LYS 6 -4.318 5.808 1.890 35 HB3 LYS 6 HB1 LYS 6 -5.734 4.961 1.286 36 HG2 LYS 6 HG2 LYS 6 -7.158 6.266 2.787 37 HG3 LYS 6 HG1 LYS 6 -5.735 7.115 3.394 38 HD2 LYS 6 HD2 LYS 6 -5.296 7.981 1.146 39 HD3 LYS 6 HD1 LYS 6 -6.719 7.129 0.540 40 HE2 LYS 6 HE2 LYS 6 -8.141 8.447 2.035 41 HE3 LYS 6 HE1 LYS 6 -6.718 9.296 2.639 42 HZ1 LYS 6 HZ1 LYS 6 -6.332 10.157 0.414 43 HZ2 LYS 6 HZ2 LYS 6 -7.873 10.590 0.961 44 HZ3 LYS 6 HZ3 LYS 6 -7.698 9.341 -0.166 45 H ARG 7 HN ARG 7 -6.030 3.082 1.311 46 HA ARG 7 HA ARG 7 -8.004 1.574 2.877 47 HB2 ARG 7 HB2 ARG 7 -9.317 1.437 0.631 48 HB3 ARG 7 HB1 ARG 7 -9.416 2.917 1.564 49 HG2 ARG 7 HG2 ARG 7 -7.533 3.771 0.032 50 HG3 ARG 7 HG1 ARG 7 -7.955 2.406 -1.003 51 HD2 ARG 7 HD2 ARG 7 -10.266 3.202 -1.109 52 HD3 ARG 7 HD1 ARG 7 -9.841 4.571 -0.082 53 HE ARG 7 HE ARG 7 -8.129 4.620 -2.272 54 HH11 ARG 7 HH11 ARG 7 -11.575 4.980 -1.694 55 HH12 ARG 7 HH12 ARG 7 -11.811 6.019 -3.060 56 HH21 ARG 7 HH21 ARG 7 -8.463 5.980 -4.054 57 HH22 ARG 7 HH22 ARG 7 -10.051 6.584 -4.394 58 H CYS 8 HN CYS 8 -7.479 0.884 -0.501 59 HA CYS 8 HA CYS 8 -5.326 -0.915 -0.125 60 HB2 CYS 8 HB2 CYS 8 -8.017 -2.032 0.105 61 HB3 CYS 8 HB1 CYS 8 -7.007 -2.851 -1.086 62 H CYS 9 HN CYS 9 -4.180 -0.691 -1.816 63 HA CYS 9 HA CYS 9 -5.458 -0.385 -4.434 64 HB2 CYS 9 HB2 CYS 9 -3.123 0.988 -3.174 65 HB3 CYS 9 HB1 CYS 9 -3.137 0.779 -4.923 66 H TYR 10 HN TYR 10 -2.406 -1.397 -2.965 67 HA TYR 10 HA TYR 10 -2.312 -3.835 -4.522 68 HB2 TYR 10 HB2 TYR 10 -0.907 -1.437 -5.361 69 HB3 TYR 10 HB1 TYR 10 0.211 -2.760 -5.057 70 HD1 TYR 10 HD1 TYR 10 -2.455 -1.506 -7.205 71 HD2 TYR 10 HD2 TYR 10 0.099 -4.813 -6.406 72 HE1 TYR 10 HE1 TYR 10 -2.993 -2.447 -9.413 73 HE2 TYR 10 HE2 TYR 10 -0.430 -5.763 -8.611 74 HH TYR 10 HH TYR 10 -2.006 -3.998 -11.043 75 H LEU 11 HN LEU 11 -0.096 -4.986 -4.104 76 HA LEU 11 HA LEU 11 0.876 -4.380 -1.395 77 HB2 LEU 11 HB2 LEU 11 0.393 -7.143 -2.520 78 HB3 LEU 11 HB1 LEU 11 0.986 -6.765 -0.913 79 HG LEU 11 HG LEU 11 -1.693 -5.758 -1.800 80 HD11 LEU 11 HD11 LEU 11 -1.104 -8.487 -0.678 81 HD12 LEU 11 HD12 LEU 11 -1.723 -8.123 -2.288 82 HD13 LEU 11 HD13 LEU 11 -2.708 -7.778 -0.867 83 HD21 LEU 11 HD21 LEU 11 -0.686 -4.900 0.276 84 HD22 LEU 11 HD22 LEU 11 -0.607 -6.547 0.901 85 HD23 LEU 11 HD23 LEU 11 -2.172 -5.803 0.571 86 H ASP 12 HN ASP 12 2.911 -3.780 -1.542 87 HA ASP 12 HA ASP 12 4.519 -4.676 -3.798 88 HB2 ASP 12 HB2 ASP 12 4.314 -2.261 -2.809 89 HB3 ASP 12 HB1 ASP 12 5.570 -2.816 -1.707 90 H GLU 13 HN GLU 13 5.478 -4.286 -0.347 91 HA GLU 13 HA GLU 13 6.943 -6.813 -0.605 92 HB2 GLU 13 HB2 GLU 13 8.124 -4.389 -0.371 93 HB3 GLU 13 HB1 GLU 13 7.993 -4.851 1.321 94 HG2 GLU 13 HG2 GLU 13 9.149 -6.952 0.813 95 HG3 GLU 13 HG1 GLU 13 9.327 -6.427 -0.861 96 H TYR 14 HN TYR 14 6.156 -4.634 2.063 97 HA TYR 14 HA TYR 14 5.630 -6.832 3.853 98 HB2 TYR 14 HB2 TYR 14 5.456 -3.836 4.198 99 HB3 TYR 14 HB1 TYR 14 5.067 -4.977 5.481 100 HD1 TYR 14 HD1 TYR 14 6.820 -6.259 6.577 101 HD2 TYR 14 HD2 TYR 14 7.751 -3.502 3.475 102 HE1 TYR 14 HE1 TYR 14 9.192 -6.348 7.219 103 HE2 TYR 14 HE2 TYR 14 10.126 -3.584 4.107 104 HH TYR 14 HH TYR 14 11.391 -5.931 6.203 105 H GLY 15 HN GLY 15 3.796 -5.006 1.664 106 HA2 GLY 15 HA2 GLY 15 1.586 -5.783 1.099 107 HA3 GLY 15 HA1 GLY 15 1.307 -6.094 2.803 108 H CYS 16 HN CYS 16 2.920 -3.155 2.101 109 HA CYS 16 HA CYS 16 0.391 -1.669 2.215 110 HB2 CYS 16 HB2 CYS 16 1.484 -1.686 4.456 111 HB3 CYS 16 HB1 CYS 16 2.884 -0.894 3.739 112 H ILE 17 HN ILE 17 0.179 -0.134 0.814 113 HA ILE 17 HA ILE 17 2.491 1.124 -0.446 114 HB ILE 17 HB ILE 17 1.680 -0.778 -1.882 115 HG12 ILE 17 HG12 ILE 17 1.329 1.938 -3.181 116 HG13 ILE 17 HG11 ILE 17 2.881 1.205 -2.821 117 HG21 ILE 17 HG21 ILE 17 -0.696 -0.701 -1.431 118 HG22 ILE 17 HG22 ILE 17 -0.402 -0.536 -3.162 119 HG23 ILE 17 HG23 ILE 17 -0.818 0.882 -2.200 120 HD11 ILE 17 HD11 ILE 17 0.802 0.106 -4.702 121 HD12 ILE 17 HD12 ILE 17 2.359 -0.639 -4.344 122 HD13 ILE 17 HD13 ILE 17 2.296 0.923 -5.161 123 H ARG 18 HN ARG 18 0.380 2.367 -2.316 124 HA ARG 18 HA ARG 18 -0.049 4.775 -0.920 125 HB2 ARG 18 HB2 ARG 18 0.156 4.290 -3.446 126 HB3 ARG 18 HB1 ARG 18 -1.548 3.870 -3.373 127 HG2 ARG 18 HG2 ARG 18 -1.898 6.202 -2.372 128 HG3 ARG 18 HG1 ARG 18 -0.259 6.547 -2.928 129 HD2 ARG 18 HD2 ARG 18 -1.791 7.292 -4.611 130 HD3 ARG 18 HD1 ARG 18 -0.963 5.860 -5.217 131 HE ARG 18 HE ARG 18 -3.171 4.763 -4.222 132 HH11 ARG 18 HH11 ARG 18 -2.839 7.627 -6.233 133 HH12 ARG 18 HH12 ARG 18 -4.395 7.430 -6.968 134 HH21 ARG 18 HH21 ARG 18 -5.204 4.530 -5.197 135 HH22 ARG 18 HH22 ARG 18 -5.731 5.679 -6.382 136 H CYS 19 HN CYS 19 -1.764 1.833 -0.817 137 HA CYS 19 HA CYS 19 -3.948 3.021 0.647 138 HB2 CYS 19 HB2 CYS 19 -4.745 1.194 -1.587 139 HB3 CYS 19 HB1 CYS 19 -5.728 2.351 -0.704 140 H CYS 20 HN CYS 20 -3.006 -0.046 -0.879 141 HA CYS 20 HA CYS 20 -3.939 -1.546 1.441 142 HB2 CYS 20 HB2 CYS 20 -4.047 -2.152 -1.212 143 HB3 CYS 20 HB1 CYS 20 -2.589 -3.008 -0.745 Start of MODEL 7 1 H1 TYR 1 HT1 TYR 1 7.535 0.920 -2.724 2 H2 TYR 1 HT2 TYR 1 7.732 1.755 -1.265 3 H3 TYR 1 HT3 TYR 1 7.616 2.611 -2.719 4 HA TYR 1 HA TYR 1 5.372 1.929 -3.034 5 HB2 TYR 1 HB2 TYR 1 4.313 0.786 -0.878 6 HB3 TYR 1 HB1 TYR 1 5.059 -0.184 -2.132 7 HD1 TYR 1 HD1 TYR 1 5.230 0.905 1.334 8 HD2 TYR 1 HD2 TYR 1 7.300 -1.186 -1.740 9 HE1 TYR 1 HE1 TYR 1 6.711 -0.095 3.020 10 HE2 TYR 1 HE2 TYR 1 8.787 -2.192 -0.061 11 HH TYR 1 HH TYR 1 9.577 -1.722 2.217 12 H GLU 2 HN GLU 2 4.553 2.034 0.212 13 HA GLU 2 HA GLU 2 4.874 4.935 0.456 14 HB2 GLU 2 HB2 GLU 2 2.575 4.045 -0.569 15 HB3 GLU 2 HB1 GLU 2 2.197 3.774 1.124 16 HG2 GLU 2 HG2 GLU 2 1.312 5.874 0.668 17 HG3 GLU 2 HG1 GLU 2 2.838 6.225 1.475 18 H THR 3 HN THR 3 3.262 5.228 2.761 19 HA THR 3 HA THR 3 4.361 3.368 4.734 20 HB THR 3 HB THR 3 4.725 5.483 6.209 21 HG1 THR 3 HG1 THR 3 5.452 6.739 3.812 22 HG21 THR 3 HG21 THR 3 7.069 5.638 5.443 23 HG22 THR 3 HG22 THR 3 6.638 4.784 3.962 24 HG23 THR 3 HG23 THR 3 6.530 3.961 5.518 25 H GLY 4 HN GLY 4 2.128 5.917 3.943 26 HA2 GLY 4 HA2 GLY 4 0.585 5.881 6.322 27 HA3 GLY 4 HA1 GLY 4 0.091 6.569 4.787 28 H CYS 5 HN CYS 5 -0.133 4.476 3.096 29 HA CYS 5 HA CYS 5 -1.578 2.881 2.390 30 HB2 CYS 5 HB2 CYS 5 -1.099 1.719 5.148 31 HB3 CYS 5 HB1 CYS 5 -1.816 0.856 3.791 32 H LYS 6 HN LYS 6 -3.461 3.854 2.020 33 HA LYS 6 HA LYS 6 -5.271 4.652 4.091 34 HB2 LYS 6 HB2 LYS 6 -4.847 5.653 1.695 35 HB3 LYS 6 HB1 LYS 6 -6.091 4.506 1.224 36 HG2 LYS 6 HG2 LYS 6 -7.638 5.522 2.824 37 HG3 LYS 6 HG1 LYS 6 -6.388 6.674 3.297 38 HD2 LYS 6 HD2 LYS 6 -6.325 7.541 1.005 39 HD3 LYS 6 HD1 LYS 6 -7.578 6.391 0.537 40 HE2 LYS 6 HE2 LYS 6 -7.962 8.428 2.719 41 HE3 LYS 6 HE1 LYS 6 -8.345 8.756 1.030 42 HZ1 LYS 6 HZ1 LYS 6 -9.533 6.593 2.684 43 HZ2 LYS 6 HZ2 LYS 6 -9.903 6.906 1.064 44 HZ3 LYS 6 HZ3 LYS 6 -10.297 8.040 2.255 45 H ARG 7 HN ARG 7 -6.311 2.799 1.283 46 HA ARG 7 HA ARG 7 -7.711 0.940 3.080 47 HB2 ARG 7 HB2 ARG 7 -9.264 2.389 1.868 48 HB3 ARG 7 HB1 ARG 7 -8.543 1.921 0.336 49 HG2 ARG 7 HG2 ARG 7 -9.475 -0.209 0.406 50 HG3 ARG 7 HG1 ARG 7 -9.788 -0.119 2.140 51 HD2 ARG 7 HD2 ARG 7 -11.499 1.592 1.736 52 HD3 ARG 7 HD1 ARG 7 -11.178 1.502 0.005 53 HE ARG 7 HE ARG 7 -11.825 -1.061 0.964 54 HH11 ARG 7 HH11 ARG 7 -13.391 2.020 0.338 55 HH12 ARG 7 HH12 ARG 7 -14.941 1.303 0.052 56 HH21 ARG 7 HH21 ARG 7 -13.863 -1.977 0.584 57 HH22 ARG 7 HH22 ARG 7 -15.208 -0.958 0.191 58 H CYS 8 HN CYS 8 -7.721 0.303 -0.318 59 HA CYS 8 HA CYS 8 -5.446 -1.492 -0.140 60 HB2 CYS 8 HB2 CYS 8 -7.514 -2.807 0.475 61 HB3 CYS 8 HB1 CYS 8 -8.077 -2.538 -1.174 62 H CYS 9 HN CYS 9 -4.186 -0.951 -1.722 63 HA CYS 9 HA CYS 9 -5.351 -0.301 -4.332 64 HB2 CYS 9 HB2 CYS 9 -3.196 1.034 -2.766 65 HB3 CYS 9 HB1 CYS 9 -3.040 1.002 -4.519 66 H TYR 10 HN TYR 10 -2.421 -1.484 -2.767 67 HA TYR 10 HA TYR 10 -2.134 -3.667 -4.596 68 HB2 TYR 10 HB2 TYR 10 -0.927 -1.187 -5.315 69 HB3 TYR 10 HB1 TYR 10 0.361 -2.304 -4.875 70 HD1 TYR 10 HD1 TYR 10 0.733 -4.335 -6.165 71 HD2 TYR 10 HD2 TYR 10 -2.299 -1.559 -7.252 72 HE1 TYR 10 HE1 TYR 10 0.566 -5.399 -8.379 73 HE2 TYR 10 HE2 TYR 10 -2.478 -2.613 -9.471 74 HH TYR 10 HH TYR 10 -1.075 -5.617 -10.198 75 H LEU 11 HN LEU 11 0.075 -4.780 -4.243 76 HA LEU 11 HA LEU 11 1.006 -4.443 -1.477 77 HB2 LEU 11 HB2 LEU 11 0.501 -7.097 -2.833 78 HB3 LEU 11 HB1 LEU 11 1.085 -6.864 -1.197 79 HG LEU 11 HG LEU 11 -1.274 -5.442 -1.209 80 HD11 LEU 11 HD11 LEU 11 -1.857 -6.303 -3.396 81 HD12 LEU 11 HD12 LEU 11 -2.952 -6.923 -2.160 82 HD13 LEU 11 HD13 LEU 11 -1.677 -7.956 -2.809 83 HD21 LEU 11 HD21 LEU 11 -0.583 -8.225 -0.320 84 HD22 LEU 11 HD22 LEU 11 -2.160 -7.505 0.000 85 HD23 LEU 11 HD23 LEU 11 -0.703 -6.755 0.645 86 H ASP 12 HN ASP 12 3.008 -3.713 -1.691 87 HA ASP 12 HA ASP 12 4.631 -4.501 -3.970 88 HB2 ASP 12 HB2 ASP 12 4.407 -2.136 -2.974 89 HB3 ASP 12 HB1 ASP 12 5.545 -2.690 -1.753 90 H GLU 13 HN GLU 13 5.207 -4.513 -0.412 91 HA GLU 13 HA GLU 13 7.030 -6.771 -0.850 92 HB2 GLU 13 HB2 GLU 13 7.825 -4.330 -0.012 93 HB3 GLU 13 HB1 GLU 13 7.484 -5.095 1.535 94 HG2 GLU 13 HG2 GLU 13 8.978 -6.940 0.926 95 HG3 GLU 13 HG1 GLU 13 9.350 -6.115 -0.587 96 H TYR 14 HN TYR 14 5.758 -5.305 2.091 97 HA TYR 14 HA TYR 14 5.015 -7.918 3.119 98 HB2 TYR 14 HB2 TYR 14 5.035 -5.169 4.370 99 HB3 TYR 14 HB1 TYR 14 4.460 -6.605 5.209 100 HD1 TYR 14 HD1 TYR 14 7.402 -4.848 3.919 101 HD2 TYR 14 HD2 TYR 14 6.017 -8.319 5.951 102 HE1 TYR 14 HE1 TYR 14 9.702 -5.341 4.632 103 HE2 TYR 14 HE2 TYR 14 8.315 -8.822 6.670 104 HH TYR 14 HH TYR 14 10.852 -6.587 6.413 105 H GLY 15 HN GLY 15 3.526 -5.211 1.640 106 HA2 GLY 15 HA2 GLY 15 1.297 -5.674 0.691 107 HA3 GLY 15 HA1 GLY 15 0.858 -6.323 2.263 108 H CYS 16 HN CYS 16 2.717 -3.388 1.656 109 HA CYS 16 HA CYS 16 0.425 -1.749 2.451 110 HB2 CYS 16 HB2 CYS 16 2.255 -2.387 4.322 111 HB3 CYS 16 HB1 CYS 16 3.040 -0.974 3.626 112 H ILE 17 HN ILE 17 0.116 -0.380 0.888 113 HA ILE 17 HA ILE 17 2.360 1.164 -0.193 114 HB ILE 17 HB ILE 17 1.718 -0.748 -1.734 115 HG12 ILE 17 HG12 ILE 17 1.533 2.099 -2.764 116 HG13 ILE 17 HG11 ILE 17 2.991 1.152 -2.551 117 HG21 ILE 17 HG21 ILE 17 -0.802 0.867 -2.141 118 HG22 ILE 17 HG22 ILE 17 -0.688 -0.747 -1.440 119 HG23 ILE 17 HG23 ILE 17 -0.289 -0.494 -3.139 120 HD11 ILE 17 HD11 ILE 17 2.275 -0.361 -4.332 121 HD12 ILE 17 HD12 ILE 17 2.369 1.309 -4.894 122 HD13 ILE 17 HD13 ILE 17 0.800 0.585 -4.537 123 H ARG 18 HN ARG 18 0.401 2.441 -2.103 124 HA ARG 18 HA ARG 18 -0.288 4.748 -0.766 125 HB2 ARG 18 HB2 ARG 18 -1.260 3.420 -3.271 126 HB3 ARG 18 HB1 ARG 18 -2.008 4.917 -2.730 127 HG2 ARG 18 HG2 ARG 18 0.051 6.104 -2.925 128 HG3 ARG 18 HG1 ARG 18 0.950 4.609 -3.192 129 HD2 ARG 18 HD2 ARG 18 -1.213 5.616 -5.034 130 HD3 ARG 18 HD1 ARG 18 0.500 5.970 -5.254 131 HE ARG 18 HE ARG 18 -0.151 3.158 -5.049 132 HH11 ARG 18 HH11 ARG 18 0.327 5.853 -7.251 133 HH12 ARG 18 HH12 ARG 18 0.645 4.831 -8.614 134 HH21 ARG 18 HH21 ARG 18 0.271 1.842 -6.845 135 HH22 ARG 18 HH22 ARG 18 0.613 2.563 -8.382 136 H CYS 19 HN CYS 19 -1.911 1.730 -0.770 137 HA CYS 19 HA CYS 19 -3.994 2.729 0.978 138 HB2 CYS 19 HB2 CYS 19 -4.778 0.968 -1.329 139 HB3 CYS 19 HB1 CYS 19 -5.821 1.895 -0.262 140 H CYS 20 HN CYS 20 -3.814 -0.370 -0.706 141 HA CYS 20 HA CYS 20 -4.059 -1.954 1.574 142 HB2 CYS 20 HB2 CYS 20 -3.913 -2.457 -1.187 143 HB3 CYS 20 HB1 CYS 20 -2.596 -3.379 -0.479 Start of MODEL 8 1 H1 TYR 1 HT1 TYR 1 7.738 1.774 -0.801 2 H2 TYR 1 HT2 TYR 1 7.873 2.674 -2.228 3 H3 TYR 1 HT3 TYR 1 7.755 0.988 -2.300 4 HA TYR 1 HA TYR 1 5.689 2.060 -2.912 5 HB2 TYR 1 HB2 TYR 1 4.290 0.916 -0.948 6 HB3 TYR 1 HB1 TYR 1 5.148 -0.053 -2.132 7 HD1 TYR 1 HD1 TYR 1 4.894 0.895 1.370 8 HD2 TYR 1 HD2 TYR 1 7.298 -1.145 -1.488 9 HE1 TYR 1 HE1 TYR 1 6.106 -0.219 3.192 10 HE2 TYR 1 HE2 TYR 1 8.514 -2.267 0.330 11 HH TYR 1 HH TYR 1 9.005 -1.912 2.712 12 H GLU 2 HN GLU 2 4.617 2.087 0.321 13 HA GLU 2 HA GLU 2 4.791 5.000 0.567 14 HB2 GLU 2 HB2 GLU 2 2.572 3.997 -0.534 15 HB3 GLU 2 HB1 GLU 2 2.148 3.721 1.148 16 HG2 GLU 2 HG2 GLU 2 1.194 5.780 0.658 17 HG3 GLU 2 HG1 GLU 2 2.684 6.203 1.496 18 H THR 3 HN THR 3 3.181 5.304 2.816 19 HA THR 3 HA THR 3 4.208 3.447 4.833 20 HB THR 3 HB THR 3 4.570 5.573 6.294 21 HG1 THR 3 HG1 THR 3 5.361 6.783 3.890 22 HG21 THR 3 HG21 THR 3 6.933 5.681 5.581 23 HG22 THR 3 HG22 THR 3 6.523 4.818 4.099 24 HG23 THR 3 HG23 THR 3 6.364 4.013 5.660 25 H GLY 4 HN GLY 4 2.028 6.013 3.965 26 HA2 GLY 4 HA2 GLY 4 0.448 6.096 6.302 27 HA3 GLY 4 HA1 GLY 4 -0.036 6.677 4.721 28 H CYS 5 HN CYS 5 -0.235 4.454 3.179 29 HA CYS 5 HA CYS 5 -1.672 2.809 2.583 30 HB2 CYS 5 HB2 CYS 5 -1.314 1.876 5.446 31 HB3 CYS 5 HB1 CYS 5 -1.966 0.910 4.127 32 H LYS 6 HN LYS 6 -3.551 3.740 2.085 33 HA LYS 6 HA LYS 6 -5.390 4.740 4.045 34 HB2 LYS 6 HB2 LYS 6 -4.909 5.551 1.594 35 HB3 LYS 6 HB1 LYS 6 -6.129 4.361 1.173 36 HG2 LYS 6 HG2 LYS 6 -7.737 5.489 2.635 37 HG3 LYS 6 HG1 LYS 6 -6.507 6.684 3.057 38 HD2 LYS 6 HD2 LYS 6 -6.372 7.371 0.711 39 HD3 LYS 6 HD1 LYS 6 -7.599 6.175 0.289 40 HE2 LYS 6 HE2 LYS 6 -9.205 7.316 1.741 41 HE3 LYS 6 HE1 LYS 6 -7.978 8.510 2.163 42 HZ1 LYS 6 HZ1 LYS 6 -9.068 8.037 -0.560 43 HZ2 LYS 6 HZ2 LYS 6 -7.890 9.183 -0.157 44 HZ3 LYS 6 HZ3 LYS 6 -9.461 9.338 0.449 45 H ARG 7 HN ARG 7 -6.327 2.640 1.374 46 HA ARG 7 HA ARG 7 -7.706 0.881 3.281 47 HB2 ARG 7 HB2 ARG 7 -9.316 0.451 1.244 48 HB3 ARG 7 HB1 ARG 7 -9.550 1.867 2.255 49 HG2 ARG 7 HG2 ARG 7 -8.379 3.237 0.580 50 HG3 ARG 7 HG1 ARG 7 -8.186 1.811 -0.437 51 HD2 ARG 7 HD2 ARG 7 -10.869 2.802 0.496 52 HD3 ARG 7 HD1 ARG 7 -10.119 3.350 -1.002 53 HE ARG 7 HE ARG 7 -10.107 0.587 -1.096 54 HH11 ARG 7 HH11 ARG 7 -12.563 3.091 -0.922 55 HH12 ARG 7 HH12 ARG 7 -13.751 2.143 -1.755 56 HH21 ARG 7 HH21 ARG 7 -11.676 -0.633 -2.184 57 HH22 ARG 7 HH22 ARG 7 -13.246 0.037 -2.468 58 H CYS 8 HN CYS 8 -7.371 0.451 -0.200 59 HA CYS 8 HA CYS 8 -5.129 -1.278 -0.029 60 HB2 CYS 8 HB2 CYS 8 -7.038 -2.768 0.779 61 HB3 CYS 8 HB1 CYS 8 -7.637 -2.704 -0.879 62 H CYS 9 HN CYS 9 -4.020 -0.940 -1.745 63 HA CYS 9 HA CYS 9 -5.396 -0.370 -4.272 64 HB2 CYS 9 HB2 CYS 9 -3.153 1.001 -2.911 65 HB3 CYS 9 HB1 CYS 9 -2.997 0.807 -4.653 66 H TYR 10 HN TYR 10 -2.363 -1.552 -2.928 67 HA TYR 10 HA TYR 10 -2.271 -3.807 -4.713 68 HB2 TYR 10 HB2 TYR 10 -0.975 -1.356 -5.455 69 HB3 TYR 10 HB1 TYR 10 0.247 -2.583 -5.145 70 HD1 TYR 10 HD1 TYR 10 -2.503 -1.551 -7.312 71 HD2 TYR 10 HD2 TYR 10 0.375 -4.586 -6.540 72 HE1 TYR 10 HE1 TYR 10 -2.913 -2.499 -9.545 73 HE2 TYR 10 HE2 TYR 10 -0.025 -5.544 -8.771 74 HH TYR 10 HH TYR 10 -1.799 -5.566 -10.473 75 H LEU 11 HN LEU 11 0.009 -4.935 -4.434 76 HA LEU 11 HA LEU 11 0.896 -4.631 -1.645 77 HB2 LEU 11 HB2 LEU 11 0.677 -7.246 -3.138 78 HB3 LEU 11 HB1 LEU 11 1.084 -7.027 -1.447 79 HG LEU 11 HG LEU 11 -1.566 -6.080 -2.460 80 HD11 LEU 11 HD11 LEU 11 -0.900 -8.912 -1.696 81 HD12 LEU 11 HD12 LEU 11 -1.390 -8.341 -3.291 82 HD13 LEU 11 HD13 LEU 11 -2.524 -8.270 -1.942 83 HD21 LEU 11 HD21 LEU 11 -0.849 -5.484 -0.194 84 HD22 LEU 11 HD22 LEU 11 -0.667 -7.194 0.193 85 HD23 LEU 11 HD23 LEU 11 -2.261 -6.541 -0.179 86 H ASP 12 HN ASP 12 2.890 -3.898 -1.638 87 HA ASP 12 HA ASP 12 4.636 -4.359 -3.914 88 HB2 ASP 12 HB2 ASP 12 4.280 -2.137 -2.600 89 HB3 ASP 12 HB1 ASP 12 5.457 -2.814 -1.480 90 H GLU 13 HN GLU 13 5.365 -4.527 -0.388 91 HA GLU 13 HA GLU 13 6.989 -6.899 -0.964 92 HB2 GLU 13 HB2 GLU 13 8.004 -4.510 -0.207 93 HB3 GLU 13 HB1 GLU 13 7.757 -5.263 1.363 94 HG2 GLU 13 HG2 GLU 13 9.076 -7.193 0.619 95 HG3 GLU 13 HG1 GLU 13 9.363 -6.379 -0.918 96 H TYR 14 HN TYR 14 5.744 -5.247 1.904 97 HA TYR 14 HA TYR 14 5.184 -7.790 3.193 98 HB2 TYR 14 HB2 TYR 14 5.020 -4.937 4.166 99 HB3 TYR 14 HB1 TYR 14 4.534 -6.317 5.145 100 HD1 TYR 14 HD1 TYR 14 7.362 -4.510 3.682 101 HD2 TYR 14 HD2 TYR 14 6.194 -7.849 6.046 102 HE1 TYR 14 HE1 TYR 14 9.689 -4.785 4.433 103 HE2 TYR 14 HE2 TYR 14 8.517 -8.132 6.805 104 HH TYR 14 HH TYR 14 10.784 -7.560 6.047 105 H GLY 15 HN GLY 15 3.505 -5.309 1.516 106 HA2 GLY 15 HA2 GLY 15 1.317 -6.026 0.612 107 HA3 GLY 15 HA1 GLY 15 0.922 -6.540 2.243 108 H CYS 16 HN CYS 16 2.686 -3.595 1.821 109 HA CYS 16 HA CYS 16 0.227 -2.024 2.182 110 HB2 CYS 16 HB2 CYS 16 2.117 -2.432 4.172 111 HB3 CYS 16 HB1 CYS 16 2.553 -0.863 3.506 112 H ILE 17 HN ILE 17 0.012 -0.460 0.772 113 HA ILE 17 HA ILE 17 2.355 0.844 -0.366 114 HB ILE 17 HB ILE 17 1.561 -1.026 -1.877 115 HG12 ILE 17 HG12 ILE 17 1.668 1.822 -2.911 116 HG13 ILE 17 HG11 ILE 17 3.008 0.710 -2.716 117 HG21 ILE 17 HG21 ILE 17 -0.407 -0.627 -3.302 118 HG22 ILE 17 HG22 ILE 17 -0.811 0.789 -2.332 119 HG23 ILE 17 HG23 ILE 17 -0.838 -0.815 -1.602 120 HD11 ILE 17 HD11 ILE 17 2.119 -0.686 -4.514 121 HD12 ILE 17 HD12 ILE 17 2.401 0.969 -5.053 122 HD13 ILE 17 HD13 ILE 17 0.761 0.423 -4.702 123 H ARG 18 HN ARG 18 0.418 2.174 -2.298 124 HA ARG 18 HA ARG 18 -0.012 4.590 -0.993 125 HB2 ARG 18 HB2 ARG 18 -0.931 3.322 -3.532 126 HB3 ARG 18 HB1 ARG 18 -1.659 4.845 -3.041 127 HG2 ARG 18 HG2 ARG 18 0.435 5.967 -3.123 128 HG3 ARG 18 HG1 ARG 18 1.312 4.445 -3.286 129 HD2 ARG 18 HD2 ARG 18 -0.676 5.452 -5.315 130 HD3 ARG 18 HD1 ARG 18 1.054 5.777 -5.405 131 HE ARG 18 HE ARG 18 0.380 2.979 -5.182 132 HH11 ARG 18 HH11 ARG 18 0.939 5.616 -7.436 133 HH12 ARG 18 HH12 ARG 18 1.320 4.559 -8.754 134 HH21 ARG 18 HH21 ARG 18 0.883 1.617 -6.923 135 HH22 ARG 18 HH22 ARG 18 1.288 2.298 -8.464 136 H CYS 19 HN CYS 19 -1.878 1.742 -0.776 137 HA CYS 19 HA CYS 19 -3.976 3.135 0.655 138 HB2 CYS 19 HB2 CYS 19 -4.743 1.149 -1.470 139 HB3 CYS 19 HB1 CYS 19 -5.797 2.227 -0.568 140 H CYS 20 HN CYS 20 -2.906 -0.041 -0.487 141 HA CYS 20 HA CYS 20 -4.080 -1.417 1.750 142 HB2 CYS 20 HB2 CYS 20 -3.362 -2.226 -0.774 143 HB3 CYS 20 HB1 CYS 20 -2.067 -2.901 0.206 Start of MODEL 9 1 H1 TYR 1 HT1 TYR 1 7.676 1.829 -1.085 2 H2 TYR 1 HT2 TYR 1 7.762 2.878 -2.409 3 H3 TYR 1 HT3 TYR 1 7.609 1.213 -2.660 4 HA TYR 1 HA TYR 1 5.538 2.375 -3.050 5 HB2 TYR 1 HB2 TYR 1 4.159 1.035 -1.271 6 HB3 TYR 1 HB1 TYR 1 5.096 0.145 -2.459 7 HD1 TYR 1 HD1 TYR 1 7.408 -0.734 -1.702 8 HD2 TYR 1 HD2 TYR 1 4.444 0.655 1.021 9 HE1 TYR 1 HE1 TYR 1 8.513 -1.960 0.119 10 HE2 TYR 1 HE2 TYR 1 5.547 -0.562 2.847 11 HH TYR 1 HH TYR 1 7.054 -2.486 3.131 12 H GLU 2 HN GLU 2 4.485 2.060 0.130 13 HA GLU 2 HA GLU 2 4.809 4.895 0.779 14 HB2 GLU 2 HB2 GLU 2 2.564 4.167 -0.475 15 HB3 GLU 2 HB1 GLU 2 2.093 3.698 1.152 16 HG2 GLU 2 HG2 GLU 2 1.268 5.852 0.961 17 HG3 GLU 2 HG1 GLU 2 2.793 6.090 1.810 18 H THR 3 HN THR 3 3.219 5.000 3.039 19 HA THR 3 HA THR 3 4.077 2.805 4.779 20 HB THR 3 HB THR 3 4.585 4.676 6.521 21 HG1 THR 3 HG1 THR 3 5.490 6.134 4.299 22 HG21 THR 3 HG21 THR 3 6.260 3.083 5.687 23 HG22 THR 3 HG22 THR 3 6.958 4.696 5.830 24 HG23 THR 3 HG23 THR 3 6.498 4.072 4.246 25 H GLY 4 HN GLY 4 2.107 5.621 4.270 26 HA2 GLY 4 HA2 GLY 4 0.528 5.541 6.599 27 HA3 GLY 4 HA1 GLY 4 0.088 6.326 5.095 28 H CYS 5 HN CYS 5 -0.211 4.221 3.338 29 HA CYS 5 HA CYS 5 -1.754 2.742 2.585 30 HB2 CYS 5 HB2 CYS 5 -2.106 1.421 5.235 31 HB3 CYS 5 HB1 CYS 5 -1.849 0.704 3.649 32 H LYS 6 HN LYS 6 -3.544 3.850 2.090 33 HA LYS 6 HA LYS 6 -5.333 4.900 4.076 34 HB2 LYS 6 HB2 LYS 6 -4.698 5.854 1.725 35 HB3 LYS 6 HB1 LYS 6 -5.994 4.810 1.161 36 HG2 LYS 6 HG2 LYS 6 -7.565 5.953 2.648 37 HG3 LYS 6 HG1 LYS 6 -6.262 6.998 3.218 38 HD2 LYS 6 HD2 LYS 6 -5.962 7.859 0.944 39 HD3 LYS 6 HD1 LYS 6 -7.267 6.814 0.378 40 HE2 LYS 6 HE2 LYS 6 -8.834 7.969 1.860 41 HE3 LYS 6 HE1 LYS 6 -7.530 9.011 2.428 42 HZ1 LYS 6 HZ1 LYS 6 -8.533 8.863 -0.364 43 HZ2 LYS 6 HZ2 LYS 6 -7.281 9.863 0.178 44 HZ3 LYS 6 HZ3 LYS 6 -8.859 10.105 0.738 45 H ARG 7 HN ARG 7 -6.276 3.004 1.246 46 HA ARG 7 HA ARG 7 -7.996 1.369 2.982 47 HB2 ARG 7 HB2 ARG 7 -9.485 1.178 0.829 48 HB3 ARG 7 HB1 ARG 7 -9.614 2.604 1.843 49 HG2 ARG 7 HG2 ARG 7 -8.157 3.829 0.285 50 HG3 ARG 7 HG1 ARG 7 -8.063 2.397 -0.738 51 HD2 ARG 7 HD2 ARG 7 -9.714 3.760 -1.716 52 HD3 ARG 7 HD1 ARG 7 -10.594 2.493 -0.865 53 HE ARG 7 HE ARG 7 -10.395 4.578 0.919 54 HH11 ARG 7 HH11 ARG 7 -11.797 4.163 -2.274 55 HH12 ARG 7 HH12 ARG 7 -13.027 5.355 -2.014 56 HH21 ARG 7 HH21 ARG 7 -12.012 6.135 1.236 57 HH22 ARG 7 HH22 ARG 7 -13.148 6.469 -0.029 58 H CYS 8 HN CYS 8 -7.664 0.836 -0.460 59 HA CYS 8 HA CYS 8 -5.594 -1.129 -0.191 60 HB2 CYS 8 HB2 CYS 8 -7.615 -2.417 0.517 61 HB3 CYS 8 HB1 CYS 8 -8.308 -2.121 -1.077 62 H CYS 9 HN CYS 9 -4.362 -0.893 -1.876 63 HA CYS 9 HA CYS 9 -5.565 -0.210 -4.463 64 HB2 CYS 9 HB2 CYS 9 -3.188 0.922 -3.051 65 HB3 CYS 9 HB1 CYS 9 -3.179 0.867 -4.811 66 H TYR 10 HN TYR 10 -2.641 -1.531 -3.011 67 HA TYR 10 HA TYR 10 -2.571 -3.867 -4.661 68 HB2 TYR 10 HB2 TYR 10 -1.101 -1.453 -5.507 69 HB3 TYR 10 HB1 TYR 10 -0.095 -2.891 -5.404 70 HD1 TYR 10 HD1 TYR 10 -2.450 -1.083 -7.380 71 HD2 TYR 10 HD2 TYR 10 -0.871 -4.977 -6.702 72 HE1 TYR 10 HE1 TYR 10 -3.252 -1.789 -9.594 73 HE2 TYR 10 HE2 TYR 10 -1.671 -5.693 -8.914 74 HH TYR 10 HH TYR 10 -3.383 -5.040 -10.553 75 H LEU 11 HN LEU 11 -0.166 -4.915 -4.368 76 HA LEU 11 HA LEU 11 0.768 -4.338 -1.643 77 HB2 LEU 11 HB2 LEU 11 0.459 -7.084 -2.861 78 HB3 LEU 11 HB1 LEU 11 1.071 -6.729 -1.258 79 HG LEU 11 HG LEU 11 -1.704 -5.909 -2.051 80 HD11 LEU 11 HD11 LEU 11 -0.863 -8.584 -0.965 81 HD12 LEU 11 HD12 LEU 11 -1.541 -8.267 -2.562 82 HD13 LEU 11 HD13 LEU 11 -2.523 -8.013 -1.118 83 HD21 LEU 11 HD21 LEU 11 -2.096 -6.095 0.363 84 HD22 LEU 11 HD22 LEU 11 -0.796 -4.960 -0.004 85 HD23 LEU 11 HD23 LEU 11 -0.413 -6.575 0.594 86 H ASP 12 HN ASP 12 2.860 -3.907 -1.541 87 HA ASP 12 HA ASP 12 4.500 -4.396 -3.894 88 HB2 ASP 12 HB2 ASP 12 4.295 -2.155 -2.568 89 HB3 ASP 12 HB1 ASP 12 5.470 -2.894 -1.485 90 H GLU 13 HN GLU 13 5.602 -4.431 -0.483 91 HA GLU 13 HA GLU 13 6.837 -7.030 -1.029 92 HB2 GLU 13 HB2 GLU 13 8.216 -4.719 -0.720 93 HB3 GLU 13 HB1 GLU 13 8.197 -5.321 0.932 94 HG2 GLU 13 HG2 GLU 13 9.135 -7.445 0.143 95 HG3 GLU 13 HG1 GLU 13 9.207 -6.785 -1.490 96 H TYR 14 HN TYR 14 6.214 -4.955 1.772 97 HA TYR 14 HA TYR 14 5.886 -7.233 3.503 98 HB2 TYR 14 HB2 TYR 14 5.794 -4.267 3.982 99 HB3 TYR 14 HB1 TYR 14 5.420 -5.432 5.248 100 HD1 TYR 14 HD1 TYR 14 7.162 -6.795 6.239 101 HD2 TYR 14 HD2 TYR 14 8.069 -4.029 3.135 102 HE1 TYR 14 HE1 TYR 14 9.557 -7.004 6.759 103 HE2 TYR 14 HE2 TYR 14 10.465 -4.232 3.646 104 HH TYR 14 HH TYR 14 11.895 -4.872 5.542 105 H GLY 15 HN GLY 15 3.785 -4.730 2.202 106 HA2 GLY 15 HA2 GLY 15 1.497 -6.147 1.929 107 HA3 GLY 15 HA1 GLY 15 1.477 -5.723 3.630 108 H CYS 16 HN CYS 16 2.965 -3.122 2.600 109 HA CYS 16 HA CYS 16 0.453 -1.708 2.037 110 HB2 CYS 16 HB2 CYS 16 1.786 -1.044 4.074 111 HB3 CYS 16 HB1 CYS 16 3.047 -0.480 2.983 112 H ILE 17 HN ILE 17 0.449 0.010 0.494 113 HA ILE 17 HA ILE 17 2.593 -0.021 -1.477 114 HB ILE 17 HB ILE 17 0.677 -1.650 -2.023 115 HG12 ILE 17 HG12 ILE 17 2.472 -0.900 -3.604 116 HG13 ILE 17 HG11 ILE 17 0.981 -1.427 -4.352 117 HG21 ILE 17 HG21 ILE 17 -1.196 -0.638 -3.339 118 HG22 ILE 17 HG22 ILE 17 -0.740 0.920 -2.651 119 HG23 ILE 17 HG23 ILE 17 -1.263 -0.392 -1.595 120 HD11 ILE 17 HD11 ILE 17 1.905 0.510 -5.500 121 HD12 ILE 17 HD12 ILE 17 1.852 1.440 -4.003 122 HD13 ILE 17 HD13 ILE 17 0.353 0.905 -4.762 123 H ARG 18 HN ARG 18 -0.473 1.386 -0.589 124 HA ARG 18 HA ARG 18 0.288 4.061 -0.297 125 HB2 ARG 18 HB2 ARG 18 0.465 3.691 -2.893 126 HB3 ARG 18 HB1 ARG 18 -1.289 3.691 -2.849 127 HG2 ARG 18 HG2 ARG 18 0.166 5.978 -1.606 128 HG3 ARG 18 HG1 ARG 18 0.067 5.886 -3.364 129 HD2 ARG 18 HD2 ARG 18 -2.276 5.871 -1.457 130 HD3 ARG 18 HD1 ARG 18 -1.740 7.248 -2.417 131 HE ARG 18 HE ARG 18 -2.639 4.756 -3.710 132 HH11 ARG 18 HH11 ARG 18 -2.968 8.228 -3.273 133 HH12 ARG 18 HH12 ARG 18 -4.092 8.401 -4.579 134 HH21 ARG 18 HH21 ARG 18 -4.107 5.009 -5.417 135 HH22 ARG 18 HH22 ARG 18 -4.736 6.580 -5.791 136 H CYS 19 HN CYS 19 -1.867 1.513 -0.637 137 HA CYS 19 HA CYS 19 -3.941 2.830 0.901 138 HB2 CYS 19 HB2 CYS 19 -4.747 1.147 -1.445 139 HB3 CYS 19 HB1 CYS 19 -5.710 2.315 -0.550 140 H CYS 20 HN CYS 20 -3.121 -0.191 -0.750 141 HA CYS 20 HA CYS 20 -4.180 -1.764 1.450 142 HB2 CYS 20 HB2 CYS 20 -4.121 -2.230 -1.273 143 HB3 CYS 20 HB1 CYS 20 -2.832 -3.261 -0.674 Start of MODEL 10 1 H1 TYR 1 HT1 TYR 1 7.693 1.790 -0.877 2 H2 TYR 1 HT2 TYR 1 7.794 2.700 -2.298 3 H3 TYR 1 HT3 TYR 1 7.678 1.014 -2.382 4 HA TYR 1 HA TYR 1 5.596 2.085 -2.939 5 HB2 TYR 1 HB2 TYR 1 4.237 0.920 -0.968 6 HB3 TYR 1 HB1 TYR 1 5.095 -0.042 -2.158 7 HD1 TYR 1 HD1 TYR 1 7.270 -1.104 -1.531 8 HD2 TYR 1 HD2 TYR 1 4.848 0.891 1.345 9 HE1 TYR 1 HE1 TYR 1 8.509 -2.214 0.278 10 HE2 TYR 1 HE2 TYR 1 6.083 -0.213 3.157 11 HH TYR 1 HH TYR 1 7.441 -2.238 3.493 12 H GLU 2 HN GLU 2 4.573 2.091 0.307 13 HA GLU 2 HA GLU 2 4.764 5.000 0.577 14 HB2 GLU 2 HB2 GLU 2 2.526 4.015 -0.503 15 HB3 GLU 2 HB1 GLU 2 2.123 3.734 1.184 16 HG2 GLU 2 HG2 GLU 2 1.183 5.803 0.767 17 HG3 GLU 2 HG1 GLU 2 2.723 6.224 1.510 18 H THR 3 HN THR 3 3.173 5.289 2.842 19 HA THR 3 HA THR 3 4.213 3.417 4.838 20 HB THR 3 HB THR 3 4.590 5.534 6.310 21 HG1 THR 3 HG1 THR 3 5.364 6.756 3.906 22 HG21 THR 3 HG21 THR 3 6.377 3.979 5.659 23 HG22 THR 3 HG22 THR 3 6.948 5.645 5.576 24 HG23 THR 3 HG23 THR 3 6.524 4.784 4.097 25 H GLY 4 HN GLY 4 2.032 5.994 4.003 26 HA2 GLY 4 HA2 GLY 4 0.464 6.050 6.353 27 HA3 GLY 4 HA1 GLY 4 -0.022 6.662 4.784 28 H CYS 5 HN CYS 5 -0.231 4.466 3.205 29 HA CYS 5 HA CYS 5 -1.678 2.837 2.581 30 HB2 CYS 5 HB2 CYS 5 -1.334 1.856 5.430 31 HB3 CYS 5 HB1 CYS 5 -1.977 0.914 4.089 32 H LYS 6 HN LYS 6 -3.558 3.779 2.097 33 HA LYS 6 HA LYS 6 -5.385 4.744 4.095 34 HB2 LYS 6 HB2 LYS 6 -4.899 5.633 1.667 35 HB3 LYS 6 HB1 LYS 6 -6.144 4.477 1.218 36 HG2 LYS 6 HG2 LYS 6 -7.718 5.579 2.733 37 HG3 LYS 6 HG1 LYS 6 -6.466 6.741 3.183 38 HD2 LYS 6 HD2 LYS 6 -6.344 7.505 0.860 39 HD3 LYS 6 HD1 LYS 6 -7.594 6.342 0.411 40 HE2 LYS 6 HE2 LYS 6 -9.168 7.455 1.919 41 HE3 LYS 6 HE1 LYS 6 -7.918 8.617 2.367 42 HZ1 LYS 6 HZ1 LYS 6 -9.408 9.523 0.700 43 HZ2 LYS 6 HZ2 LYS 6 -9.045 8.255 -0.358 44 HZ3 LYS 6 HZ3 LYS 6 -7.845 9.367 0.070 45 H ARG 7 HN ARG 7 -6.314 2.734 1.350 46 HA ARG 7 HA ARG 7 -7.770 0.965 3.192 47 HB2 ARG 7 HB2 ARG 7 -9.273 0.536 1.075 48 HB3 ARG 7 HB1 ARG 7 -9.552 1.956 2.065 49 HG2 ARG 7 HG2 ARG 7 -8.285 3.312 0.448 50 HG3 ARG 7 HG1 ARG 7 -8.056 1.879 -0.553 51 HD2 ARG 7 HD2 ARG 7 -10.481 1.663 -0.796 52 HD3 ARG 7 HD1 ARG 7 -10.708 3.099 0.202 53 HE ARG 7 HE ARG 7 -9.046 3.828 -1.898 54 HH11 ARG 7 HH11 ARG 7 -12.356 2.709 -1.530 55 HH12 ARG 7 HH12 ARG 7 -12.913 3.533 -2.947 56 HH21 ARG 7 HH21 ARG 7 -9.798 4.898 -3.748 57 HH22 ARG 7 HH22 ARG 7 -11.466 4.772 -4.201 58 H CYS 8 HN CYS 8 -7.324 0.470 -0.259 59 HA CYS 8 HA CYS 8 -5.036 -1.151 -0.065 60 HB2 CYS 8 HB2 CYS 8 -7.620 -2.556 0.153 61 HB3 CYS 8 HB1 CYS 8 -6.458 -3.246 -0.980 62 H CYS 9 HN CYS 9 -4.007 -0.863 -1.784 63 HA CYS 9 HA CYS 9 -5.436 -0.456 -4.309 64 HB2 CYS 9 HB2 CYS 9 -3.129 0.925 -3.046 65 HB3 CYS 9 HB1 CYS 9 -3.077 0.726 -4.794 66 H TYR 10 HN TYR 10 -2.339 -1.542 -3.017 67 HA TYR 10 HA TYR 10 -2.297 -3.890 -4.695 68 HB2 TYR 10 HB2 TYR 10 -0.924 -1.462 -5.490 69 HB3 TYR 10 HB1 TYR 10 0.212 -2.786 -5.263 70 HD1 TYR 10 HD1 TYR 10 0.069 -4.797 -6.670 71 HD2 TYR 10 HD2 TYR 10 -2.516 -1.476 -7.292 72 HE1 TYR 10 HE1 TYR 10 -0.516 -5.678 -8.890 73 HE2 TYR 10 HE2 TYR 10 -3.111 -2.349 -9.514 74 HH TYR 10 HH TYR 10 -2.165 -3.841 -11.220 75 H LEU 11 HN LEU 11 -0.067 -5.055 -4.392 76 HA LEU 11 HA LEU 11 0.864 -4.648 -1.628 77 HB2 LEU 11 HB2 LEU 11 0.665 -7.293 -3.069 78 HB3 LEU 11 HB1 LEU 11 1.088 -7.040 -1.388 79 HG LEU 11 HG LEU 11 -1.583 -6.144 -2.396 80 HD11 LEU 11 HD11 LEU 11 -0.878 -8.946 -1.561 81 HD12 LEU 11 HD12 LEU 11 -1.385 -8.424 -3.167 82 HD13 LEU 11 HD13 LEU 11 -2.510 -8.330 -1.813 83 HD21 LEU 11 HD21 LEU 11 -2.254 -6.530 -0.102 84 HD22 LEU 11 HD22 LEU 11 -0.834 -5.486 -0.149 85 HD23 LEU 11 HD23 LEU 11 -0.663 -7.189 0.278 86 H ASP 12 HN ASP 12 2.856 -3.909 -1.629 87 HA ASP 12 HA ASP 12 4.594 -4.363 -3.910 88 HB2 ASP 12 HB2 ASP 12 4.236 -2.150 -2.570 89 HB3 ASP 12 HB1 ASP 12 5.441 -2.828 -1.481 90 H GLU 13 HN GLU 13 5.374 -4.521 -0.395 91 HA GLU 13 HA GLU 13 6.979 -6.902 -0.985 92 HB2 GLU 13 HB2 GLU 13 8.019 -4.515 -0.267 93 HB3 GLU 13 HB1 GLU 13 7.794 -5.251 1.315 94 HG2 GLU 13 HG2 GLU 13 9.089 -7.197 0.562 95 HG3 GLU 13 HG1 GLU 13 9.359 -6.390 -0.982 96 H TYR 14 HN TYR 14 5.781 -5.224 1.888 97 HA TYR 14 HA TYR 14 5.252 -7.752 3.217 98 HB2 TYR 14 HB2 TYR 14 5.073 -4.887 4.148 99 HB3 TYR 14 HB1 TYR 14 4.606 -6.254 5.153 100 HD1 TYR 14 HD1 TYR 14 7.410 -4.456 3.632 101 HD2 TYR 14 HD2 TYR 14 6.282 -7.757 6.067 102 HE1 TYR 14 HE1 TYR 14 9.744 -4.704 4.366 103 HE2 TYR 14 HE2 TYR 14 8.612 -8.013 6.810 104 HH TYR 14 HH TYR 14 10.985 -5.653 6.267 105 H GLY 15 HN GLY 15 3.532 -5.303 1.534 106 HA2 GLY 15 HA2 GLY 15 1.342 -6.050 0.658 107 HA3 GLY 15 HA1 GLY 15 0.968 -6.555 2.296 108 H CYS 16 HN CYS 16 2.693 -3.591 1.783 109 HA CYS 16 HA CYS 16 0.225 -2.043 2.166 110 HB2 CYS 16 HB2 CYS 16 2.129 -2.415 4.152 111 HB3 CYS 16 HB1 CYS 16 2.543 -0.845 3.472 112 H ILE 17 HN ILE 17 -0.005 -0.456 0.787 113 HA ILE 17 HA ILE 17 2.321 0.842 -0.393 114 HB ILE 17 HB ILE 17 1.461 -1.022 -1.898 115 HG12 ILE 17 HG12 ILE 17 1.473 1.783 -3.050 116 HG13 ILE 17 HG11 ILE 17 2.896 0.822 -2.698 117 HG21 ILE 17 HG21 ILE 17 -0.927 -0.763 -1.584 118 HG22 ILE 17 HG22 ILE 17 -0.516 -0.570 -3.288 119 HG23 ILE 17 HG23 ILE 17 -0.874 0.848 -2.303 120 HD11 ILE 17 HD11 ILE 17 2.212 -0.812 -4.386 121 HD12 ILE 17 HD12 ILE 17 2.382 0.805 -5.072 122 HD13 ILE 17 HD13 ILE 17 0.778 0.155 -4.734 123 H ARG 18 HN ARG 18 0.467 2.291 -2.253 124 HA ARG 18 HA ARG 18 0.012 4.636 -0.845 125 HB2 ARG 18 HB2 ARG 18 0.171 4.142 -3.374 126 HB3 ARG 18 HB1 ARG 18 -1.550 3.809 -3.280 127 HG2 ARG 18 HG2 ARG 18 -1.668 6.180 -2.185 128 HG3 ARG 18 HG1 ARG 18 -0.104 6.406 -2.971 129 HD2 ARG 18 HD2 ARG 18 -1.799 7.218 -4.451 130 HD3 ARG 18 HD1 ARG 18 -1.165 5.717 -5.121 131 HE ARG 18 HE ARG 18 -3.248 4.736 -3.891 132 HH11 ARG 18 HH11 ARG 18 -3.128 7.779 -5.645 133 HH12 ARG 18 HH12 ARG 18 -4.808 7.733 -6.066 134 HH21 ARG 18 HH21 ARG 18 -5.445 4.702 -4.453 135 HH22 ARG 18 HH22 ARG 18 -6.117 5.993 -5.392 136 H CYS 19 HN CYS 19 -1.851 1.781 -0.772 137 HA CYS 19 HA CYS 19 -3.999 3.120 0.652 138 HB2 CYS 19 HB2 CYS 19 -4.676 1.111 -1.481 139 HB3 CYS 19 HB1 CYS 19 -5.760 2.208 -0.638 140 H CYS 20 HN CYS 20 -2.897 -0.027 -0.520 141 HA CYS 20 HA CYS 20 -4.069 -1.501 1.637 142 HB2 CYS 20 HB2 CYS 20 -3.277 -2.166 -0.871 143 HB3 CYS 20 HB1 CYS 20 -1.923 -2.778 0.063 Start of MODEL 11 1 H1 TYR 1 HT1 TYR 1 7.647 2.692 -2.691 2 H2 TYR 1 HT2 TYR 1 7.563 1.003 -2.719 3 H3 TYR 1 HT3 TYR 1 7.747 1.816 -1.247 4 HA TYR 1 HA TYR 1 5.405 2.019 -3.038 5 HB2 TYR 1 HB2 TYR 1 4.301 0.839 -0.947 6 HB3 TYR 1 HB1 TYR 1 5.127 -0.120 -2.160 7 HD1 TYR 1 HD1 TYR 1 5.142 1.012 1.309 8 HD2 TYR 1 HD2 TYR 1 7.338 -1.109 -1.655 9 HE1 TYR 1 HE1 TYR 1 6.569 0.051 3.061 10 HE2 TYR 1 HE2 TYR 1 8.769 -2.078 0.092 11 HH TYR 1 HH TYR 1 9.473 -1.566 2.390 12 H GLU 2 HN GLU 2 4.548 2.085 0.193 13 HA GLU 2 HA GLU 2 4.877 4.980 0.490 14 HB2 GLU 2 HB2 GLU 2 2.588 4.119 -0.572 15 HB3 GLU 2 HB1 GLU 2 2.192 3.803 1.109 16 HG2 GLU 2 HG2 GLU 2 1.309 5.914 0.697 17 HG3 GLU 2 HG1 GLU 2 2.825 6.245 1.531 18 H THR 3 HN THR 3 3.259 5.243 2.792 19 HA THR 3 HA THR 3 4.335 3.336 4.736 20 HB THR 3 HB THR 3 4.710 5.420 6.252 21 HG1 THR 3 HG1 THR 3 5.453 6.715 3.881 22 HG21 THR 3 HG21 THR 3 6.506 3.898 5.539 23 HG22 THR 3 HG22 THR 3 7.058 5.572 5.494 24 HG23 THR 3 HG23 THR 3 6.625 4.747 3.997 25 H GLY 4 HN GLY 4 2.125 5.917 3.984 26 HA2 GLY 4 HA2 GLY 4 0.576 5.862 6.355 27 HA3 GLY 4 HA1 GLY 4 0.085 6.560 4.823 28 H CYS 5 HN CYS 5 -0.144 4.479 3.121 29 HA CYS 5 HA CYS 5 -1.596 2.892 2.403 30 HB2 CYS 5 HB2 CYS 5 -1.152 1.696 5.153 31 HB3 CYS 5 HB1 CYS 5 -1.811 0.849 3.757 32 H LYS 6 HN LYS 6 -3.477 3.881 2.046 33 HA LYS 6 HA LYS 6 -5.281 4.643 4.143 34 HB2 LYS 6 HB2 LYS 6 -4.846 5.719 1.782 35 HB3 LYS 6 HB1 LYS 6 -6.099 4.599 1.273 36 HG2 LYS 6 HG2 LYS 6 -7.637 5.575 2.907 37 HG3 LYS 6 HG1 LYS 6 -6.377 6.700 3.417 38 HD2 LYS 6 HD2 LYS 6 -6.309 7.643 1.156 39 HD3 LYS 6 HD1 LYS 6 -7.568 6.517 0.648 40 HE2 LYS 6 HE2 LYS 6 -8.668 8.558 1.078 41 HE3 LYS 6 HE1 LYS 6 -9.016 7.524 2.463 42 HZ1 LYS 6 HZ1 LYS 6 -6.946 9.655 2.371 43 HZ2 LYS 6 HZ2 LYS 6 -7.279 8.665 3.701 44 HZ3 LYS 6 HZ3 LYS 6 -8.442 9.764 3.155 45 H ARG 7 HN ARG 7 -6.310 2.877 1.271 46 HA ARG 7 HA ARG 7 -7.779 1.013 3.006 47 HB2 ARG 7 HB2 ARG 7 -9.259 2.492 1.734 48 HB3 ARG 7 HB1 ARG 7 -8.492 2.003 0.232 49 HG2 ARG 7 HG2 ARG 7 -9.475 -0.099 0.262 50 HG3 ARG 7 HG1 ARG 7 -9.822 -0.018 1.990 51 HD2 ARG 7 HD2 ARG 7 -11.494 1.731 1.564 52 HD3 ARG 7 HD1 ARG 7 -11.144 1.638 -0.162 53 HE ARG 7 HE ARG 7 -11.839 -0.919 0.720 54 HH11 ARG 7 HH11 ARG 7 -13.387 2.204 0.290 55 HH12 ARG 7 HH12 ARG 7 -14.954 1.518 0.019 56 HH21 ARG 7 HH21 ARG 7 -13.899 -1.795 0.363 57 HH22 ARG 7 HH22 ARG 7 -15.242 -0.744 0.061 58 H CYS 8 HN CYS 8 -7.718 0.334 -0.372 59 HA CYS 8 HA CYS 8 -5.439 -1.448 -0.149 60 HB2 CYS 8 HB2 CYS 8 -7.473 -2.776 0.499 61 HB3 CYS 8 HB1 CYS 8 -8.080 -2.519 -1.136 62 H CYS 9 HN CYS 9 -4.183 -0.971 -1.756 63 HA CYS 9 HA CYS 9 -5.361 -0.348 -4.366 64 HB2 CYS 9 HB2 CYS 9 -3.162 0.961 -2.841 65 HB3 CYS 9 HB1 CYS 9 -3.024 0.904 -4.596 66 H TYR 10 HN TYR 10 -2.423 -1.555 -2.836 67 HA TYR 10 HA TYR 10 -2.210 -3.793 -4.618 68 HB2 TYR 10 HB2 TYR 10 -0.865 -1.331 -5.310 69 HB3 TYR 10 HB1 TYR 10 0.310 -2.604 -5.006 70 HD1 TYR 10 HD1 TYR 10 -2.230 -1.344 -7.264 71 HD2 TYR 10 HD2 TYR 10 0.257 -4.681 -6.379 72 HE1 TYR 10 HE1 TYR 10 -2.626 -2.232 -9.523 73 HE2 TYR 10 HE2 TYR 10 -0.133 -5.579 -8.635 74 HH TYR 10 HH TYR 10 -1.540 -3.752 -11.122 75 H LEU 11 HN LEU 11 -0.012 -4.944 -4.254 76 HA LEU 11 HA LEU 11 0.891 -4.565 -1.479 77 HB2 LEU 11 HB2 LEU 11 0.584 -7.228 -2.871 78 HB3 LEU 11 HB1 LEU 11 1.014 -6.959 -1.192 79 HG LEU 11 HG LEU 11 -1.619 -5.982 -2.228 80 HD11 LEU 11 HD11 LEU 11 -2.627 -8.120 -1.594 81 HD12 LEU 11 HD12 LEU 11 -1.016 -8.790 -1.330 82 HD13 LEU 11 HD13 LEU 11 -1.508 -8.285 -2.947 83 HD21 LEU 11 HD21 LEU 11 -0.687 -6.960 0.470 84 HD22 LEU 11 HD22 LEU 11 -2.302 -6.357 0.092 85 HD23 LEU 11 HD23 LEU 11 -0.911 -5.277 -0.009 86 H ASP 12 HN ASP 12 2.873 -3.797 -1.594 87 HA ASP 12 HA ASP 12 4.576 -4.368 -3.860 88 HB2 ASP 12 HB2 ASP 12 4.303 -2.152 -2.493 89 HB3 ASP 12 HB1 ASP 12 5.541 -2.864 -1.462 90 H GLU 13 HN GLU 13 5.401 -4.561 -0.359 91 HA GLU 13 HA GLU 13 6.940 -6.978 -0.983 92 HB2 GLU 13 HB2 GLU 13 8.047 -4.621 -0.256 93 HB3 GLU 13 HB1 GLU 13 7.820 -5.365 1.322 94 HG2 GLU 13 HG2 GLU 13 9.059 -7.333 0.545 95 HG3 GLU 13 HG1 GLU 13 9.329 -6.530 -1.002 96 H TYR 14 HN TYR 14 5.746 -5.263 1.866 97 HA TYR 14 HA TYR 14 5.128 -7.793 3.175 98 HB2 TYR 14 HB2 TYR 14 5.155 -4.945 4.177 99 HB3 TYR 14 HB1 TYR 14 4.617 -6.305 5.157 100 HD1 TYR 14 HD1 TYR 14 6.211 -7.935 6.003 101 HD2 TYR 14 HD2 TYR 14 7.505 -4.649 3.632 102 HE1 TYR 14 HE1 TYR 14 8.532 -8.357 6.696 103 HE2 TYR 14 HE2 TYR 14 9.830 -5.062 4.318 104 HH TYR 14 HH TYR 14 10.808 -7.909 5.882 105 H GLY 15 HN GLY 15 3.569 -5.181 1.576 106 HA2 GLY 15 HA2 GLY 15 1.327 -5.690 0.696 107 HA3 GLY 15 HA1 GLY 15 0.933 -6.313 2.290 108 H CYS 16 HN CYS 16 2.768 -3.376 1.719 109 HA CYS 16 HA CYS 16 0.442 -1.751 2.458 110 HB2 CYS 16 HB2 CYS 16 2.311 -2.346 4.323 111 HB3 CYS 16 HB1 CYS 16 3.032 -0.902 3.620 112 H ILE 17 HN ILE 17 0.123 -0.316 0.965 113 HA ILE 17 HA ILE 17 2.356 1.155 -0.214 114 HB ILE 17 HB ILE 17 1.639 -0.758 -1.717 115 HG12 ILE 17 HG12 ILE 17 1.308 2.009 -2.909 116 HG13 ILE 17 HG11 ILE 17 2.848 1.252 -2.547 117 HG21 ILE 17 HG21 ILE 17 -0.406 -0.509 -3.056 118 HG22 ILE 17 HG22 ILE 17 -0.878 0.869 -2.061 119 HG23 ILE 17 HG23 ILE 17 -0.751 -0.736 -1.341 120 HD11 ILE 17 HD11 ILE 17 0.811 0.259 -4.534 121 HD12 ILE 17 HD12 ILE 17 2.357 -0.512 -4.176 122 HD13 ILE 17 HD13 ILE 17 2.319 1.090 -4.914 123 H ARG 18 HN ARG 18 0.397 2.502 -2.058 124 HA ARG 18 HA ARG 18 -0.253 4.778 -0.624 125 HB2 ARG 18 HB2 ARG 18 -0.125 4.357 -3.158 126 HB3 ARG 18 HB1 ARG 18 -1.788 3.808 -3.029 127 HG2 ARG 18 HG2 ARG 18 -2.273 6.093 -1.975 128 HG3 ARG 18 HG1 ARG 18 -0.689 6.567 -2.588 129 HD2 ARG 18 HD2 ARG 18 -2.339 7.217 -4.198 130 HD3 ARG 18 HD1 ARG 18 -1.427 5.861 -4.860 131 HE ARG 18 HE ARG 18 -3.503 4.582 -3.803 132 HH11 ARG 18 HH11 ARG 18 -3.476 7.498 -5.765 133 HH12 ARG 18 HH12 ARG 18 -5.041 7.194 -6.441 134 HH21 ARG 18 HH21 ARG 18 -5.551 4.208 -4.701 135 HH22 ARG 18 HH22 ARG 18 -6.214 5.333 -5.839 136 H CYS 19 HN CYS 19 -1.899 1.779 -0.783 137 HA CYS 19 HA CYS 19 -4.024 2.742 0.947 138 HB2 CYS 19 HB2 CYS 19 -4.744 0.965 -1.364 139 HB3 CYS 19 HB1 CYS 19 -5.804 1.938 -0.356 140 H CYS 20 HN CYS 20 -3.795 -0.350 -0.734 141 HA CYS 20 HA CYS 20 -4.048 -1.933 1.549 142 HB2 CYS 20 HB2 CYS 20 -3.922 -2.430 -1.209 143 HB3 CYS 20 HB1 CYS 20 -2.590 -3.346 -0.521 Start of MODEL 12 1 H1 TYR 1 HT1 TYR 1 7.778 2.687 -2.350 2 H2 TYR 1 HT2 TYR 1 7.668 1.000 -2.413 3 H3 TYR 1 HT3 TYR 1 7.702 1.788 -0.917 4 HA TYR 1 HA TYR 1 5.574 2.058 -2.951 5 HB2 TYR 1 HB2 TYR 1 4.253 0.904 -0.944 6 HB3 TYR 1 HB1 TYR 1 5.088 -0.061 -2.145 7 HD1 TYR 1 HD1 TYR 1 7.248 -1.147 -1.560 8 HD2 TYR 1 HD2 TYR 1 4.944 0.927 1.356 9 HE1 TYR 1 HE1 TYR 1 8.529 -2.244 0.226 10 HE2 TYR 1 HE2 TYR 1 6.222 -0.164 3.148 11 HH TYR 1 HH TYR 1 9.104 -1.858 2.585 12 H GLU 2 HN GLU 2 4.558 2.089 0.288 13 HA GLU 2 HA GLU 2 4.771 4.998 0.551 14 HB2 GLU 2 HB2 GLU 2 2.533 4.035 -0.542 15 HB3 GLU 2 HB1 GLU 2 2.117 3.744 1.139 16 HG2 GLU 2 HG2 GLU 2 1.177 5.816 0.667 17 HG3 GLU 2 HG1 GLU 2 2.669 6.212 1.517 18 H THR 3 HN THR 3 3.161 5.291 2.814 19 HA THR 3 HA THR 3 4.198 3.417 4.810 20 HB THR 3 HB THR 3 4.567 5.530 6.288 21 HG1 THR 3 HG1 THR 3 5.348 6.764 3.894 22 HG21 THR 3 HG21 THR 3 6.507 4.794 4.076 23 HG22 THR 3 HG22 THR 3 6.359 3.979 5.634 24 HG23 THR 3 HG23 THR 3 6.926 5.649 5.562 25 H GLY 4 HN GLY 4 2.013 5.994 3.979 26 HA2 GLY 4 HA2 GLY 4 0.443 6.050 6.323 27 HA3 GLY 4 HA1 GLY 4 -0.048 6.648 4.751 28 H CYS 5 HN CYS 5 -0.251 4.446 3.186 29 HA CYS 5 HA CYS 5 -1.687 2.805 2.575 30 HB2 CYS 5 HB2 CYS 5 -1.319 1.832 5.422 31 HB3 CYS 5 HB1 CYS 5 -1.958 0.882 4.085 32 H LYS 6 HN LYS 6 -3.567 3.747 2.102 33 HA LYS 6 HA LYS 6 -5.404 4.707 4.083 34 HB2 LYS 6 HB2 LYS 6 -4.941 5.534 1.626 35 HB3 LYS 6 HB1 LYS 6 -6.177 4.354 1.219 36 HG2 LYS 6 HG2 LYS 6 -7.752 5.482 2.712 37 HG3 LYS 6 HG1 LYS 6 -6.510 6.667 3.124 38 HD2 LYS 6 HD2 LYS 6 -6.407 7.368 0.779 39 HD3 LYS 6 HD1 LYS 6 -7.649 6.184 0.370 40 HE2 LYS 6 HE2 LYS 6 -9.223 7.324 1.856 41 HE3 LYS 6 HE1 LYS 6 -7.981 8.508 2.266 42 HZ1 LYS 6 HZ1 LYS 6 -7.926 9.196 -0.051 43 HZ2 LYS 6 HZ2 LYS 6 -9.487 9.357 0.582 44 HZ3 LYS 6 HZ3 LYS 6 -9.119 8.062 -0.442 45 H ARG 7 HN ARG 7 -6.354 2.635 1.395 46 HA ARG 7 HA ARG 7 -7.712 0.848 3.291 47 HB2 ARG 7 HB2 ARG 7 -9.328 0.432 1.256 48 HB3 ARG 7 HB1 ARG 7 -9.564 1.835 2.282 49 HG2 ARG 7 HG2 ARG 7 -8.406 3.227 0.619 50 HG3 ARG 7 HG1 ARG 7 -8.214 1.812 -0.416 51 HD2 ARG 7 HD2 ARG 7 -10.646 1.571 -0.533 52 HD3 ARG 7 HD1 ARG 7 -10.836 2.986 0.502 53 HE ARG 7 HE ARG 7 -9.286 3.701 -1.723 54 HH11 ARG 7 HH11 ARG 7 -12.604 2.808 -0.997 55 HH12 ARG 7 HH12 ARG 7 -13.257 3.709 -2.324 56 HH21 ARG 7 HH21 ARG 7 -10.164 4.873 -3.453 57 HH22 ARG 7 HH22 ARG 7 -11.877 4.877 -3.712 58 H CYS 8 HN CYS 8 -7.373 0.468 -0.196 59 HA CYS 8 HA CYS 8 -5.130 -1.262 -0.050 60 HB2 CYS 8 HB2 CYS 8 -7.033 -2.767 0.742 61 HB3 CYS 8 HB1 CYS 8 -7.635 -2.683 -0.914 62 H CYS 9 HN CYS 9 -4.026 -0.935 -1.773 63 HA CYS 9 HA CYS 9 -5.406 -0.344 -4.292 64 HB2 CYS 9 HB2 CYS 9 -3.188 1.054 -2.911 65 HB3 CYS 9 HB1 CYS 9 -3.040 0.893 -4.659 66 H TYR 10 HN TYR 10 -2.369 -1.493 -2.931 67 HA TYR 10 HA TYR 10 -2.220 -3.719 -4.749 68 HB2 TYR 10 HB2 TYR 10 -0.944 -1.249 -5.442 69 HB3 TYR 10 HB1 TYR 10 0.296 -2.453 -5.104 70 HD1 TYR 10 HD1 TYR 10 -2.447 -1.490 -7.322 71 HD2 TYR 10 HD2 TYR 10 0.526 -4.422 -6.516 72 HE1 TYR 10 HE1 TYR 10 -2.783 -2.439 -9.568 73 HE2 TYR 10 HE2 TYR 10 0.201 -5.380 -8.759 74 HH TYR 10 HH TYR 10 -1.541 -5.457 -10.494 75 H LEU 11 HN LEU 11 0.053 -4.840 -4.439 76 HA LEU 11 HA LEU 11 0.928 -4.542 -1.647 77 HB2 LEU 11 HB2 LEU 11 0.574 -7.176 -3.079 78 HB3 LEU 11 HB1 LEU 11 1.028 -6.945 -1.403 79 HG LEU 11 HG LEU 11 -1.600 -5.909 -2.387 80 HD11 LEU 11 HD11 LEU 11 -2.633 -8.043 -1.778 81 HD12 LEU 11 HD12 LEU 11 -1.029 -8.741 -1.547 82 HD13 LEU 11 HD13 LEU 11 -1.533 -8.200 -3.149 83 HD21 LEU 11 HD21 LEU 11 -0.706 -6.986 0.283 84 HD22 LEU 11 HD22 LEU 11 -2.267 -6.252 -0.083 85 HD23 LEU 11 HD23 LEU 11 -0.798 -5.279 -0.152 86 H ASP 12 HN ASP 12 2.966 -3.936 -1.631 87 HA ASP 12 HA ASP 12 4.679 -4.543 -3.906 88 HB2 ASP 12 HB2 ASP 12 4.979 -2.722 -1.535 89 HB3 ASP 12 HB1 ASP 12 6.328 -3.060 -2.615 90 H GLU 13 HN GLU 13 5.461 -4.643 -0.394 91 HA GLU 13 HA GLU 13 6.923 -7.131 -0.922 92 HB2 GLU 13 HB2 GLU 13 8.104 -4.782 -0.283 93 HB3 GLU 13 HB1 GLU 13 7.863 -5.466 1.319 94 HG2 GLU 13 HG2 GLU 13 9.037 -7.497 0.601 95 HG3 GLU 13 HG1 GLU 13 9.322 -6.752 -0.971 96 H TYR 14 HN TYR 14 5.850 -5.290 1.899 97 HA TYR 14 HA TYR 14 5.222 -7.721 3.347 98 HB2 TYR 14 HB2 TYR 14 5.102 -4.806 4.120 99 HB3 TYR 14 HB1 TYR 14 4.605 -6.108 5.195 100 HD1 TYR 14 HD1 TYR 14 6.252 -7.594 6.192 101 HD2 TYR 14 HD2 TYR 14 7.447 -4.444 3.595 102 HE1 TYR 14 HE1 TYR 14 8.575 -7.854 6.956 103 HE2 TYR 14 HE2 TYR 14 9.774 -4.695 4.351 104 HH TYR 14 HH TYR 14 10.993 -5.567 6.300 105 H GLY 15 HN GLY 15 3.577 -5.340 1.503 106 HA2 GLY 15 HA2 GLY 15 1.383 -6.001 0.637 107 HA3 GLY 15 HA1 GLY 15 0.986 -6.541 2.258 108 H CYS 16 HN CYS 16 2.700 -3.554 1.636 109 HA CYS 16 HA CYS 16 0.257 -2.005 2.113 110 HB2 CYS 16 HB2 CYS 16 2.162 -2.416 4.095 111 HB3 CYS 16 HB1 CYS 16 2.573 -0.834 3.443 112 H ILE 17 HN ILE 17 0.028 -0.449 0.712 113 HA ILE 17 HA ILE 17 2.347 0.923 -0.399 114 HB ILE 17 HB ILE 17 1.581 -0.925 -1.951 115 HG12 ILE 17 HG12 ILE 17 1.683 1.960 -2.864 116 HG13 ILE 17 HG11 ILE 17 3.001 0.810 -2.784 117 HG21 ILE 17 HG21 ILE 17 -0.826 -0.739 -1.637 118 HG22 ILE 17 HG22 ILE 17 -0.406 -0.553 -3.338 119 HG23 ILE 17 HG23 ILE 17 -0.816 0.864 -2.373 120 HD11 ILE 17 HD11 ILE 17 0.687 0.701 -4.712 121 HD12 ILE 17 HD12 ILE 17 2.023 -0.449 -4.638 122 HD13 ILE 17 HD13 ILE 17 2.329 1.231 -5.080 123 H ARG 18 HN ARG 18 0.402 2.272 -2.298 124 HA ARG 18 HA ARG 18 -0.057 4.651 -0.954 125 HB2 ARG 18 HB2 ARG 18 -1.000 3.415 -3.499 126 HB3 ARG 18 HB1 ARG 18 -1.726 4.928 -2.976 127 HG2 ARG 18 HG2 ARG 18 0.363 6.059 -3.068 128 HG3 ARG 18 HG1 ARG 18 1.243 4.542 -3.266 129 HD2 ARG 18 HD2 ARG 18 -0.776 5.571 -5.253 130 HD3 ARG 18 HD1 ARG 18 0.951 5.909 -5.360 131 HE ARG 18 HE ARG 18 0.293 3.103 -5.174 132 HH11 ARG 18 HH11 ARG 18 0.823 5.779 -7.388 133 HH12 ARG 18 HH12 ARG 18 1.196 4.746 -8.728 134 HH21 ARG 18 HH21 ARG 18 0.787 1.773 -6.942 135 HH22 ARG 18 HH22 ARG 18 1.174 2.480 -8.474 136 H CYS 19 HN CYS 19 -1.915 1.784 -0.793 137 HA CYS 19 HA CYS 19 -3.999 3.144 0.695 138 HB2 CYS 19 HB2 CYS 19 -4.798 1.185 -1.439 139 HB3 CYS 19 HB1 CYS 19 -5.830 2.276 -0.527 140 H CYS 20 HN CYS 20 -2.916 -0.007 -0.502 141 HA CYS 20 HA CYS 20 -4.066 -1.420 1.725 142 HB2 CYS 20 HB2 CYS 20 -3.362 -2.194 -0.815 143 HB3 CYS 20 HB1 CYS 20 -2.061 -2.878 0.150 Start of MODEL 13 1 H1 TYR 1 HT1 TYR 1 8.239 2.395 -1.972 2 H2 TYR 1 HT2 TYR 1 7.950 0.728 -1.984 3 H3 TYR 1 HT3 TYR 1 7.767 1.606 -0.551 4 HA TYR 1 HA TYR 1 6.147 1.959 -2.999 5 HB2 TYR 1 HB2 TYR 1 4.325 1.100 -1.240 6 HB3 TYR 1 HB1 TYR 1 5.239 -0.027 -2.226 7 HD1 TYR 1 HD1 TYR 1 4.605 1.198 1.154 8 HD2 TYR 1 HD2 TYR 1 7.073 -1.348 -1.202 9 HE1 TYR 1 HE1 TYR 1 5.386 0.077 3.192 10 HE2 TYR 1 HE2 TYR 1 7.857 -2.475 0.834 11 HH TYR 1 HH TYR 1 6.356 -2.082 3.849 12 H GLU 2 HN GLU 2 4.588 2.293 0.008 13 HA GLU 2 HA GLU 2 4.988 5.192 0.149 14 HB2 GLU 2 HB2 GLU 2 2.938 4.454 -1.292 15 HB3 GLU 2 HB1 GLU 2 2.207 4.016 0.240 16 HG2 GLU 2 HG2 GLU 2 1.404 6.170 -0.385 17 HG3 GLU 2 HG1 GLU 2 2.487 6.376 0.985 18 H THR 3 HN THR 3 3.433 5.926 2.167 19 HA THR 3 HA THR 3 3.647 3.957 4.323 20 HB THR 3 HB THR 3 4.408 5.937 5.823 21 HG1 THR 3 HG1 THR 3 5.462 6.800 3.311 22 HG21 THR 3 HG21 THR 3 5.767 3.942 5.375 23 HG22 THR 3 HG22 THR 3 6.775 5.389 5.378 24 HG23 THR 3 HG23 THR 3 6.313 4.640 3.850 25 H GLY 4 HN GLY 4 1.941 3.886 5.545 26 HA2 GLY 4 HA2 GLY 4 0.292 5.182 6.886 27 HA3 GLY 4 HA1 GLY 4 -0.004 6.111 5.422 28 H CYS 5 HN CYS 5 -0.213 4.224 3.481 29 HA CYS 5 HA CYS 5 -1.733 2.925 2.432 30 HB2 CYS 5 HB2 CYS 5 -1.734 1.334 5.008 31 HB3 CYS 5 HB1 CYS 5 -2.199 0.749 3.414 32 H LYS 6 HN LYS 6 -3.471 4.140 2.043 33 HA LYS 6 HA LYS 6 -5.391 4.986 3.916 34 HB2 LYS 6 HB2 LYS 6 -4.829 5.787 1.474 35 HB3 LYS 6 HB1 LYS 6 -6.105 4.662 1.034 36 HG2 LYS 6 HG2 LYS 6 -7.668 5.861 2.483 37 HG3 LYS 6 HG1 LYS 6 -6.386 6.988 2.932 38 HD2 LYS 6 HD2 LYS 6 -6.185 7.686 0.593 39 HD3 LYS 6 HD1 LYS 6 -7.469 6.559 0.147 40 HE2 LYS 6 HE2 LYS 6 -9.030 7.770 1.591 41 HE3 LYS 6 HE1 LYS 6 -7.746 8.894 2.038 42 HZ1 LYS 6 HZ1 LYS 6 -8.826 8.506 -0.702 43 HZ2 LYS 6 HZ2 LYS 6 -7.595 9.584 -0.274 44 HZ3 LYS 6 HZ3 LYS 6 -9.164 9.814 0.316 45 H ARG 7 HN ARG 7 -6.430 2.980 1.211 46 HA ARG 7 HA ARG 7 -7.951 1.304 3.090 47 HB2 ARG 7 HB2 ARG 7 -9.434 0.877 0.951 48 HB3 ARG 7 HB1 ARG 7 -9.680 2.322 1.915 49 HG2 ARG 7 HG2 ARG 7 -8.351 3.612 0.301 50 HG3 ARG 7 HG1 ARG 7 -8.132 2.156 -0.669 51 HD2 ARG 7 HD2 ARG 7 -10.556 1.996 -0.971 52 HD3 ARG 7 HD1 ARG 7 -10.772 3.454 -0.002 53 HE ARG 7 HE ARG 7 -9.026 4.034 -2.117 54 HH11 ARG 7 HH11 ARG 7 -12.422 3.274 -1.636 55 HH12 ARG 7 HH12 ARG 7 -12.935 4.146 -3.043 56 HH21 ARG 7 HH21 ARG 7 -9.721 5.168 -3.953 57 HH22 ARG 7 HH22 ARG 7 -11.405 5.217 -4.352 58 H CYS 8 HN CYS 8 -7.513 0.681 -0.339 59 HA CYS 8 HA CYS 8 -5.315 -1.075 -0.017 60 HB2 CYS 8 HB2 CYS 8 -7.986 -2.265 0.102 61 HB3 CYS 8 HB1 CYS 8 -6.924 -3.001 -1.098 62 H CYS 9 HN CYS 9 -4.151 -0.742 -1.658 63 HA CYS 9 HA CYS 9 -5.394 -0.261 -4.266 64 HB2 CYS 9 HB2 CYS 9 -3.120 1.040 -2.849 65 HB3 CYS 9 HB1 CYS 9 -3.045 0.932 -4.606 66 H TYR 10 HN TYR 10 -2.344 -1.369 -2.855 67 HA TYR 10 HA TYR 10 -2.241 -3.684 -4.587 68 HB2 TYR 10 HB2 TYR 10 -0.887 -1.229 -5.297 69 HB3 TYR 10 HB1 TYR 10 0.280 -2.521 -5.042 70 HD1 TYR 10 HD1 TYR 10 0.270 -4.499 -6.479 71 HD2 TYR 10 HD2 TYR 10 -2.438 -1.285 -7.132 72 HE1 TYR 10 HE1 TYR 10 -0.213 -5.373 -8.729 73 HE2 TYR 10 HE2 TYR 10 -2.931 -2.149 -9.383 74 HH TYR 10 HH TYR 10 -2.007 -5.249 -10.406 75 H LEU 11 HN LEU 11 0.017 -4.823 -4.278 76 HA LEU 11 HA LEU 11 0.971 -4.464 -1.517 77 HB2 LEU 11 HB2 LEU 11 0.507 -7.103 -2.914 78 HB3 LEU 11 HB1 LEU 11 1.123 -6.892 -1.287 79 HG LEU 11 HG LEU 11 -1.335 -5.513 -1.391 80 HD11 LEU 11 HD11 LEU 11 -2.880 -7.275 -2.071 81 HD12 LEU 11 HD12 LEU 11 -1.517 -8.259 -2.605 82 HD13 LEU 11 HD13 LEU 11 -1.870 -6.730 -3.410 83 HD21 LEU 11 HD21 LEU 11 -2.024 -7.464 0.116 84 HD22 LEU 11 HD22 LEU 11 -0.668 -6.464 0.628 85 HD23 LEU 11 HD23 LEU 11 -0.373 -8.045 -0.100 86 H ASP 12 HN ASP 12 3.037 -3.892 -1.570 87 HA ASP 12 HA ASP 12 4.640 -4.545 -3.917 88 HB2 ASP 12 HB2 ASP 12 5.090 -2.655 -1.614 89 HB3 ASP 12 HB1 ASP 12 6.322 -2.982 -2.829 90 H GLU 13 HN GLU 13 5.369 -4.629 -0.387 91 HA GLU 13 HA GLU 13 7.049 -6.971 -0.928 92 HB2 GLU 13 HB2 GLU 13 8.028 -4.561 -0.206 93 HB3 GLU 13 HB1 GLU 13 7.791 -5.292 1.376 94 HG2 GLU 13 HG2 GLU 13 9.132 -7.217 0.657 95 HG3 GLU 13 HG1 GLU 13 9.411 -6.418 -0.889 96 H TYR 14 HN TYR 14 6.012 -5.366 2.040 97 HA TYR 14 HA TYR 14 5.440 -7.881 3.322 98 HB2 TYR 14 HB2 TYR 14 5.177 -5.020 4.246 99 HB3 TYR 14 HB1 TYR 14 4.744 -6.398 5.252 100 HD1 TYR 14 HD1 TYR 14 7.501 -4.522 3.742 101 HD2 TYR 14 HD2 TYR 14 6.461 -7.852 6.176 102 HE1 TYR 14 HE1 TYR 14 9.838 -4.700 4.486 103 HE2 TYR 14 HE2 TYR 14 8.794 -8.039 6.929 104 HH TYR 14 HH TYR 14 11.100 -5.610 6.390 105 H GLY 15 HN GLY 15 3.665 -5.446 1.665 106 HA2 GLY 15 HA2 GLY 15 1.518 -6.295 0.753 107 HA3 GLY 15 HA1 GLY 15 1.133 -6.781 2.392 108 H CYS 16 HN CYS 16 2.720 -3.763 1.565 109 HA CYS 16 HA CYS 16 0.236 -2.269 1.926 110 HB2 CYS 16 HB2 CYS 16 2.014 -2.580 4.042 111 HB3 CYS 16 HB1 CYS 16 2.431 -1.005 3.373 112 H ILE 17 HN ILE 17 0.132 -0.431 0.785 113 HA ILE 17 HA ILE 17 2.546 0.694 -0.392 114 HB ILE 17 HB ILE 17 1.668 -0.852 -2.081 115 HG12 ILE 17 HG12 ILE 17 1.309 2.050 -2.891 116 HG13 ILE 17 HG11 ILE 17 2.845 1.212 -2.775 117 HG21 ILE 17 HG21 ILE 17 -0.887 0.677 -1.747 118 HG22 ILE 17 HG22 ILE 17 -0.620 -1.065 -1.792 119 HG23 ILE 17 HG23 ILE 17 -0.510 -0.118 -3.275 120 HD11 ILE 17 HD11 ILE 17 2.117 1.394 -5.081 121 HD12 ILE 17 HD12 ILE 17 0.618 0.552 -4.690 122 HD13 ILE 17 HD13 ILE 17 2.160 -0.295 -4.575 123 H ARG 18 HN ARG 18 -0.048 2.043 -1.937 124 HA ARG 18 HA ARG 18 0.034 4.453 -0.337 125 HB2 ARG 18 HB2 ARG 18 0.216 4.300 -2.885 126 HB3 ARG 18 HB1 ARG 18 -1.502 3.940 -2.882 127 HG2 ARG 18 HG2 ARG 18 -1.712 6.164 -1.550 128 HG3 ARG 18 HG1 ARG 18 -0.108 6.499 -2.203 129 HD2 ARG 18 HD2 ARG 18 -1.752 7.461 -3.668 130 HD3 ARG 18 HD1 ARG 18 -1.008 6.086 -4.481 131 HE ARG 18 HE ARG 18 -3.161 4.927 -3.441 132 HH11 ARG 18 HH11 ARG 18 -2.912 7.984 -5.157 133 HH12 ARG 18 HH12 ARG 18 -4.523 7.894 -5.787 134 HH21 ARG 18 HH21 ARG 18 -5.267 4.834 -4.274 135 HH22 ARG 18 HH22 ARG 18 -5.855 6.111 -5.286 136 H CYS 19 HN CYS 19 -1.914 1.698 -0.566 137 HA CYS 19 HA CYS 19 -4.028 2.954 0.977 138 HB2 CYS 19 HB2 CYS 19 -4.798 1.168 -1.308 139 HB3 CYS 19 HB1 CYS 19 -5.809 2.288 -0.404 140 H CYS 20 HN CYS 20 -3.110 -0.118 -0.521 141 HA CYS 20 HA CYS 20 -4.239 -1.689 1.610 142 HB2 CYS 20 HB2 CYS 20 -3.729 -2.200 -1.017 143 HB3 CYS 20 HB1 CYS 20 -2.370 -3.005 -0.251 Start of MODEL 14 1 H1 TYR 1 HT1 TYR 1 7.740 1.979 -1.796 2 H2 TYR 1 HT2 TYR 1 7.339 3.171 -2.925 3 H3 TYR 1 HT3 TYR 1 7.280 1.539 -3.364 4 HA TYR 1 HA TYR 1 5.085 2.453 -3.003 5 HB2 TYR 1 HB2 TYR 1 4.416 0.724 -1.150 6 HB3 TYR 1 HB1 TYR 1 5.091 0.125 -2.655 7 HD1 TYR 1 HD1 TYR 1 7.413 -0.750 -2.686 8 HD2 TYR 1 HD2 TYR 1 5.547 0.467 0.939 9 HE1 TYR 1 HE1 TYR 1 9.126 -1.964 -1.405 10 HE2 TYR 1 HE2 TYR 1 7.255 -0.742 2.230 11 HH TYR 1 HH TYR 1 10.118 -1.921 0.843 12 H GLU 2 HN GLU 2 4.210 1.846 -0.069 13 HA GLU 2 HA GLU 2 5.000 4.370 1.193 14 HB2 GLU 2 HB2 GLU 2 2.724 4.335 -0.211 15 HB3 GLU 2 HB1 GLU 2 2.106 3.622 1.270 16 HG2 GLU 2 HG2 GLU 2 1.660 5.887 1.510 17 HG3 GLU 2 HG1 GLU 2 3.132 5.655 2.449 18 H THR 3 HN THR 3 3.304 4.274 3.382 19 HA THR 3 HA THR 3 3.698 1.664 4.648 20 HB THR 3 HB THR 3 4.369 3.041 6.757 21 HG1 THR 3 HG1 THR 3 5.635 4.745 4.921 22 HG21 THR 3 HG21 THR 3 6.315 2.600 4.473 23 HG22 THR 3 HG22 THR 3 5.834 1.395 5.666 24 HG23 THR 3 HG23 THR 3 6.758 2.811 6.167 25 H GLY 4 HN GLY 4 2.225 4.813 4.668 26 HA2 GLY 4 HA2 GLY 4 0.493 4.588 6.856 27 HA3 GLY 4 HA1 GLY 4 0.238 5.634 5.472 28 H CYS 5 HN CYS 5 -0.129 3.781 3.425 29 HA CYS 5 HA CYS 5 -1.760 2.619 2.375 30 HB2 CYS 5 HB2 CYS 5 -2.514 1.030 4.772 31 HB3 CYS 5 HB1 CYS 5 -2.132 0.491 3.142 32 H LYS 6 HN LYS 6 -3.362 4.001 1.899 33 HA LYS 6 HA LYS 6 -5.145 5.175 3.727 34 HB2 LYS 6 HB2 LYS 6 -4.473 5.775 1.243 35 HB3 LYS 6 HB1 LYS 6 -5.897 4.823 0.858 36 HG2 LYS 6 HG2 LYS 6 -6.810 6.914 0.967 37 HG3 LYS 6 HG1 LYS 6 -7.034 6.388 2.636 38 HD2 LYS 6 HD2 LYS 6 -4.993 7.575 3.283 39 HD3 LYS 6 HD1 LYS 6 -4.762 8.094 1.613 40 HE2 LYS 6 HE2 LYS 6 -6.885 9.309 1.701 41 HE3 LYS 6 HE1 LYS 6 -7.113 8.790 3.370 42 HZ1 LYS 6 HZ1 LYS 6 -6.229 11.033 3.255 43 HZ2 LYS 6 HZ2 LYS 6 -4.889 10.492 2.377 44 HZ3 LYS 6 HZ3 LYS 6 -5.107 9.994 3.979 45 H ARG 7 HN ARG 7 -6.246 3.076 1.111 46 HA ARG 7 HA ARG 7 -7.993 1.671 3.006 47 HB2 ARG 7 HB2 ARG 7 -9.522 1.338 0.897 48 HB3 ARG 7 HB1 ARG 7 -9.597 2.848 1.786 49 HG2 ARG 7 HG2 ARG 7 -8.081 3.860 0.099 50 HG3 ARG 7 HG1 ARG 7 -8.160 2.356 -0.817 51 HD2 ARG 7 HD2 ARG 7 -10.587 2.604 -1.013 52 HD3 ARG 7 HD1 ARG 7 -10.505 4.110 -0.101 53 HE ARG 7 HE ARG 7 -8.786 4.351 -2.280 54 HH11 ARG 7 HH11 ARG 7 -12.241 4.038 -1.732 55 HH12 ARG 7 HH12 ARG 7 -12.664 4.899 -3.174 56 HH21 ARG 7 HH21 ARG 7 -9.364 5.474 -4.162 57 HH22 ARG 7 HH22 ARG 7 -11.035 5.711 -4.548 58 H CYS 8 HN CYS 8 -7.604 0.902 -0.400 59 HA CYS 8 HA CYS 8 -5.603 -1.088 0.039 60 HB2 CYS 8 HB2 CYS 8 -7.666 -2.284 0.813 61 HB3 CYS 8 HB1 CYS 8 -8.304 -2.127 -0.821 62 H CYS 9 HN CYS 9 -4.334 -0.787 -1.615 63 HA CYS 9 HA CYS 9 -5.515 -0.369 -4.264 64 HB2 CYS 9 HB2 CYS 9 -3.196 0.928 -2.912 65 HB3 CYS 9 HB1 CYS 9 -3.101 0.685 -4.654 66 H TYR 10 HN TYR 10 -2.614 -1.616 -2.685 67 HA TYR 10 HA TYR 10 -2.582 -4.075 -4.114 68 HB2 TYR 10 HB2 TYR 10 -1.281 -1.806 -5.369 69 HB3 TYR 10 HB1 TYR 10 -0.123 -3.080 -5.020 70 HD1 TYR 10 HD1 TYR 10 -0.665 -5.424 -5.903 71 HD2 TYR 10 HD2 TYR 10 -2.647 -1.909 -7.248 72 HE1 TYR 10 HE1 TYR 10 -1.371 -6.613 -7.941 73 HE2 TYR 10 HE2 TYR 10 -3.365 -3.087 -9.288 74 HH TYR 10 HH TYR 10 -2.664 -5.017 -10.641 75 H LEU 11 HN LEU 11 -0.281 -5.172 -3.832 76 HA LEU 11 HA LEU 11 0.915 -4.311 -1.284 77 HB2 LEU 11 HB2 LEU 11 0.472 -7.176 -2.130 78 HB3 LEU 11 HB1 LEU 11 1.118 -6.622 -0.598 79 HG LEU 11 HG LEU 11 -1.636 -5.789 -1.412 80 HD11 LEU 11 HD11 LEU 11 -0.907 -8.439 -0.189 81 HD12 LEU 11 HD12 LEU 11 -1.618 -8.175 -1.781 82 HD13 LEU 11 HD13 LEU 11 -2.540 -7.789 -0.328 83 HD21 LEU 11 HD21 LEU 11 -2.007 -5.617 0.929 84 HD22 LEU 11 HD22 LEU 11 -0.453 -4.852 0.593 85 HD23 LEU 11 HD23 LEU 11 -0.507 -6.470 1.294 86 H ASP 12 HN ASP 12 2.962 -3.786 -1.550 87 HA ASP 12 HA ASP 12 4.415 -4.729 -3.881 88 HB2 ASP 12 HB2 ASP 12 4.864 -2.533 -1.890 89 HB3 ASP 12 HB1 ASP 12 6.179 -3.066 -2.932 90 H GLU 13 HN GLU 13 5.609 -4.259 -0.518 91 HA GLU 13 HA GLU 13 7.001 -6.825 -0.790 92 HB2 GLU 13 HB2 GLU 13 8.238 -4.416 -0.712 93 HB3 GLU 13 HB1 GLU 13 8.221 -4.832 0.997 94 HG2 GLU 13 HG2 GLU 13 9.300 -6.969 0.462 95 HG3 GLU 13 HG1 GLU 13 9.365 -6.490 -1.233 96 H TYR 14 HN TYR 14 6.251 -4.512 1.781 97 HA TYR 14 HA TYR 14 5.921 -6.632 3.718 98 HB2 TYR 14 HB2 TYR 14 5.729 -3.631 3.934 99 HB3 TYR 14 HB1 TYR 14 5.425 -4.711 5.290 100 HD1 TYR 14 HD1 TYR 14 7.978 -3.315 3.068 101 HD2 TYR 14 HD2 TYR 14 7.248 -5.926 6.346 102 HE1 TYR 14 HE1 TYR 14 10.385 -3.349 3.568 103 HE2 TYR 14 HE2 TYR 14 9.653 -5.966 6.857 104 HH TYR 14 HH TYR 14 11.861 -3.787 5.486 105 H GLY 15 HN GLY 15 3.898 -4.548 1.833 106 HA2 GLY 15 HA2 GLY 15 1.650 -5.660 1.454 107 HA3 GLY 15 HA1 GLY 15 1.504 -5.593 3.201 108 H CYS 16 HN CYS 16 3.030 -2.959 1.514 109 HA CYS 16 HA CYS 16 0.559 -1.388 1.535 110 HB2 CYS 16 HB2 CYS 16 1.944 -1.062 3.692 111 HB3 CYS 16 HB1 CYS 16 3.083 -0.197 2.664 112 H ILE 17 HN ILE 17 0.485 0.280 0.069 113 HA ILE 17 HA ILE 17 2.792 0.738 -1.648 114 HB ILE 17 HB ILE 17 1.608 -0.960 -2.867 115 HG12 ILE 17 HG12 ILE 17 1.214 1.807 -4.041 116 HG13 ILE 17 HG11 ILE 17 2.674 0.835 -4.140 117 HG21 ILE 17 HG21 ILE 17 -0.620 -0.690 -1.854 118 HG22 ILE 17 HG22 ILE 17 -0.702 -0.722 -3.611 119 HG23 ILE 17 HG23 ILE 17 -0.844 0.809 -2.756 120 HD11 ILE 17 HD11 ILE 17 1.455 0.817 -6.236 121 HD12 ILE 17 HD12 ILE 17 0.024 0.189 -5.418 122 HD13 ILE 17 HD13 ILE 17 1.483 -0.796 -5.521 123 H ARG 18 HN ARG 18 -0.556 1.629 -1.182 124 HA ARG 18 HA ARG 18 -0.005 4.442 -0.913 125 HB2 ARG 18 HB2 ARG 18 -0.017 3.840 -3.445 126 HB3 ARG 18 HB1 ARG 18 -1.743 3.589 -3.237 127 HG2 ARG 18 HG2 ARG 18 -1.824 5.978 -2.339 128 HG3 ARG 18 HG1 ARG 18 -0.189 6.150 -2.980 129 HD2 ARG 18 HD2 ARG 18 -1.736 6.971 -4.619 130 HD3 ARG 18 HD1 ARG 18 -1.054 5.457 -5.207 131 HE ARG 18 HE ARG 18 -3.287 4.564 -4.096 132 HH11 ARG 18 HH11 ARG 18 -2.847 7.372 -6.163 133 HH12 ARG 18 HH12 ARG 18 -4.451 7.289 -6.811 134 HH21 ARG 18 HH21 ARG 18 -5.383 4.480 -4.957 135 HH22 ARG 18 HH22 ARG 18 -5.884 5.653 -6.127 136 H CYS 19 HN CYS 19 -1.982 1.665 -0.820 137 HA CYS 19 HA CYS 19 -4.021 3.005 0.746 138 HB2 CYS 19 HB2 CYS 19 -4.917 1.180 -1.457 139 HB3 CYS 19 HB1 CYS 19 -5.858 2.366 -0.565 140 H CYS 20 HN CYS 20 -3.128 -0.113 -0.687 141 HA CYS 20 HA CYS 20 -4.097 -1.517 1.686 142 HB2 CYS 20 HB2 CYS 20 -4.157 -2.213 -1.004 143 HB3 CYS 20 HB1 CYS 20 -2.848 -3.193 -0.361 Start of MODEL 15 1 H1 TYR 1 HT1 TYR 1 7.863 0.804 -2.344 2 H2 TYR 1 HT2 TYR 1 7.853 1.676 -0.894 3 H3 TYR 1 HT3 TYR 1 8.068 2.484 -2.364 4 HA TYR 1 HA TYR 1 5.872 1.945 -3.070 5 HB2 TYR 1 HB2 TYR 1 4.365 0.976 -1.104 6 HB3 TYR 1 HB1 TYR 1 5.234 -0.103 -2.179 7 HD1 TYR 1 HD1 TYR 1 7.230 -1.304 -1.366 8 HD2 TYR 1 HD2 TYR 1 4.945 1.175 1.230 9 HE1 TYR 1 HE1 TYR 1 8.326 -2.336 0.577 10 HE2 TYR 1 HE2 TYR 1 6.035 0.150 3.178 11 HH TYR 1 HH TYR 1 7.196 -1.940 3.749 12 H GLU 2 HN GLU 2 4.496 2.224 -0.038 13 HA GLU 2 HA GLU 2 4.960 5.107 0.210 14 HB2 GLU 2 HB2 GLU 2 2.870 4.457 -1.229 15 HB3 GLU 2 HB1 GLU 2 2.149 4.009 0.304 16 HG2 GLU 2 HG2 GLU 2 1.402 6.197 -0.224 17 HG3 GLU 2 HG1 GLU 2 2.556 6.349 1.093 18 H THR 3 HN THR 3 3.482 5.822 2.264 19 HA THR 3 HA THR 3 3.636 3.777 4.353 20 HB THR 3 HB THR 3 4.493 5.685 5.901 21 HG1 THR 3 HG1 THR 3 5.536 6.554 3.384 22 HG21 THR 3 HG21 THR 3 6.323 4.343 3.886 23 HG22 THR 3 HG22 THR 3 5.747 3.634 5.394 24 HG23 THR 3 HG23 THR 3 6.826 5.028 5.430 25 H GLY 4 HN GLY 4 1.906 3.708 5.512 26 HA2 GLY 4 HA2 GLY 4 0.330 5.048 6.931 27 HA3 GLY 4 HA1 GLY 4 0.050 6.010 5.485 28 H CYS 5 HN CYS 5 -0.195 4.134 3.518 29 HA CYS 5 HA CYS 5 -1.755 2.902 2.455 30 HB2 CYS 5 HB2 CYS 5 -1.532 1.326 5.024 31 HB3 CYS 5 HB1 CYS 5 -2.425 0.758 3.615 32 H LYS 6 HN LYS 6 -3.465 4.123 2.055 33 HA LYS 6 HA LYS 6 -5.358 5.019 3.940 34 HB2 LYS 6 HB2 LYS 6 -4.767 5.819 1.498 35 HB3 LYS 6 HB1 LYS 6 -6.083 4.741 1.058 36 HG2 LYS 6 HG2 LYS 6 -7.596 5.987 2.523 37 HG3 LYS 6 HG1 LYS 6 -6.273 7.066 2.967 38 HD2 LYS 6 HD2 LYS 6 -6.065 7.769 0.631 39 HD3 LYS 6 HD1 LYS 6 -7.384 6.685 0.187 40 HE2 LYS 6 HE2 LYS 6 -8.899 7.939 1.643 41 HE3 LYS 6 HE1 LYS 6 -7.579 9.021 2.086 42 HZ1 LYS 6 HZ1 LYS 6 -8.978 9.989 0.375 43 HZ2 LYS 6 HZ2 LYS 6 -8.686 8.675 -0.649 44 HZ3 LYS 6 HZ3 LYS 6 -7.420 9.712 -0.223 45 H ARG 7 HN ARG 7 -6.266 2.954 1.221 46 HA ARG 7 HA ARG 7 -7.890 1.322 3.049 47 HB2 ARG 7 HB2 ARG 7 -9.398 0.979 0.929 48 HB3 ARG 7 HB1 ARG 7 -9.577 2.438 1.887 49 HG2 ARG 7 HG2 ARG 7 -8.203 3.664 0.260 50 HG3 ARG 7 HG1 ARG 7 -8.048 2.197 -0.705 51 HD2 ARG 7 HD2 ARG 7 -9.775 3.440 -1.715 52 HD3 ARG 7 HD1 ARG 7 -10.580 2.162 -0.807 53 HE ARG 7 HE ARG 7 -10.415 4.403 0.846 54 HH11 ARG 7 HH11 ARG 7 -12.044 3.493 -2.130 55 HH12 ARG 7 HH12 ARG 7 -13.377 4.564 -1.861 56 HH21 ARG 7 HH21 ARG 7 -12.170 5.797 1.176 57 HH22 ARG 7 HH22 ARG 7 -13.448 5.868 0.008 58 H CYS 8 HN CYS 8 -7.579 0.671 -0.372 59 HA CYS 8 HA CYS 8 -5.432 -1.212 -0.036 60 HB2 CYS 8 HB2 CYS 8 -7.435 -2.539 0.656 61 HB3 CYS 8 HB1 CYS 8 -8.105 -2.284 -0.953 62 H CYS 9 HN CYS 9 -4.168 -0.807 -1.685 63 HA CYS 9 HA CYS 9 -5.373 -0.222 -4.292 64 HB2 CYS 9 HB2 CYS 9 -3.076 1.024 -2.858 65 HB3 CYS 9 HB1 CYS 9 -3.000 0.928 -4.616 66 H TYR 10 HN TYR 10 -2.443 -1.526 -2.817 67 HA TYR 10 HA TYR 10 -2.358 -3.795 -4.574 68 HB2 TYR 10 HB2 TYR 10 -0.953 -1.376 -5.331 69 HB3 TYR 10 HB1 TYR 10 0.178 -2.700 -5.084 70 HD1 TYR 10 HD1 TYR 10 -0.079 -4.794 -6.440 71 HD2 TYR 10 HD2 TYR 10 -2.350 -1.287 -7.241 72 HE1 TYR 10 HE1 TYR 10 -0.607 -5.657 -8.681 73 HE2 TYR 10 HE2 TYR 10 -2.887 -2.141 -9.484 74 HH TYR 10 HH TYR 10 -1.967 -3.729 -11.119 75 H LEU 11 HN LEU 11 -0.101 -4.964 -4.282 76 HA LEU 11 HA LEU 11 0.844 -4.577 -1.521 77 HB2 LEU 11 HB2 LEU 11 0.538 -7.224 -2.944 78 HB3 LEU 11 HB1 LEU 11 1.048 -6.982 -1.284 79 HG LEU 11 HG LEU 11 -1.646 -6.022 -2.166 80 HD11 LEU 11 HD11 LEU 11 -2.589 -8.186 -1.524 81 HD12 LEU 11 HD12 LEU 11 -0.958 -8.836 -1.358 82 HD13 LEU 11 HD13 LEU 11 -1.540 -8.307 -2.936 83 HD21 LEU 11 HD21 LEU 11 -0.753 -5.381 0.042 84 HD22 LEU 11 HD22 LEU 11 -0.632 -7.089 0.467 85 HD23 LEU 11 HD23 LEU 11 -2.211 -6.365 0.157 86 H ASP 12 HN ASP 12 2.858 -3.891 -1.551 87 HA ASP 12 HA ASP 12 4.539 -4.375 -3.866 88 HB2 ASP 12 HB2 ASP 12 4.264 -2.165 -2.513 89 HB3 ASP 12 HB1 ASP 12 5.460 -2.879 -1.437 90 H GLU 13 HN GLU 13 5.443 -4.549 -0.386 91 HA GLU 13 HA GLU 13 6.936 -6.993 -1.019 92 HB2 GLU 13 HB2 GLU 13 8.090 -4.630 -0.380 93 HB3 GLU 13 HB1 GLU 13 7.926 -5.350 1.216 94 HG2 GLU 13 HG2 GLU 13 9.115 -7.340 0.415 95 HG3 GLU 13 HG1 GLU 13 9.323 -6.561 -1.152 96 H TYR 14 HN TYR 14 5.941 -5.231 1.881 97 HA TYR 14 HA TYR 14 5.420 -7.704 3.301 98 HB2 TYR 14 HB2 TYR 14 5.275 -4.807 4.139 99 HB3 TYR 14 HB1 TYR 14 4.846 -6.140 5.205 100 HD1 TYR 14 HD1 TYR 14 7.589 -4.390 3.528 101 HD2 TYR 14 HD2 TYR 14 6.560 -7.614 6.105 102 HE1 TYR 14 HE1 TYR 14 9.948 -4.609 4.185 103 HE2 TYR 14 HE2 TYR 14 8.916 -7.842 6.770 104 HH TYR 14 HH TYR 14 11.143 -7.291 5.883 105 H GLY 15 HN GLY 15 3.652 -5.312 1.586 106 HA2 GLY 15 HA2 GLY 15 1.435 -6.065 0.803 107 HA3 GLY 15 HA1 GLY 15 1.114 -6.543 2.461 108 H CYS 16 HN CYS 16 2.836 -3.600 1.978 109 HA CYS 16 HA CYS 16 0.372 -2.038 2.315 110 HB2 CYS 16 HB2 CYS 16 2.120 -2.438 4.371 111 HB3 CYS 16 HB1 CYS 16 2.759 -0.957 3.667 112 H ILE 17 HN ILE 17 0.184 -0.385 0.995 113 HA ILE 17 HA ILE 17 2.531 0.831 -0.231 114 HB ILE 17 HB ILE 17 1.664 -0.952 -1.757 115 HG12 ILE 17 HG12 ILE 17 1.423 1.858 -2.873 116 HG13 ILE 17 HG11 ILE 17 2.929 0.999 -2.613 117 HG21 ILE 17 HG21 ILE 17 -0.423 -0.547 -3.032 118 HG22 ILE 17 HG22 ILE 17 -0.809 0.768 -1.923 119 HG23 ILE 17 HG23 ILE 17 -0.696 -0.885 -1.322 120 HD11 ILE 17 HD11 ILE 17 2.279 0.947 -4.951 121 HD12 ILE 17 HD12 ILE 17 0.747 0.185 -4.521 122 HD13 ILE 17 HD13 ILE 17 2.263 -0.677 -4.262 123 H ARG 18 HN ARG 18 0.270 2.144 -2.013 124 HA ARG 18 HA ARG 18 0.020 4.546 -0.511 125 HB2 ARG 18 HB2 ARG 18 0.181 4.196 -3.060 126 HB3 ARG 18 HB1 ARG 18 -1.530 3.808 -2.989 127 HG2 ARG 18 HG2 ARG 18 -1.804 6.096 -1.849 128 HG3 ARG 18 HG1 ARG 18 -0.177 6.430 -2.445 129 HD2 ARG 18 HD2 ARG 18 -1.746 7.286 -4.038 130 HD3 ARG 18 HD1 ARG 18 -0.972 5.866 -4.739 131 HE ARG 18 HE ARG 18 -3.157 4.754 -3.745 132 HH11 ARG 18 HH11 ARG 18 -2.876 7.767 -5.534 133 HH12 ARG 18 HH12 ARG 18 -4.470 7.651 -6.202 134 HH21 ARG 18 HH21 ARG 18 -5.240 4.628 -4.629 135 HH22 ARG 18 HH22 ARG 18 -5.806 5.876 -5.689 136 H CYS 19 HN CYS 19 -1.795 1.671 -0.624 137 HA CYS 19 HA CYS 19 -3.912 2.813 0.982 138 HB2 CYS 19 HB2 CYS 19 -4.755 1.125 -1.349 139 HB3 CYS 19 HB1 CYS 19 -5.729 2.216 -0.373 140 H CYS 20 HN CYS 20 -3.001 -0.166 -0.716 141 HA CYS 20 HA CYS 20 -3.869 -1.768 1.562 142 HB2 CYS 20 HB2 CYS 20 -3.956 -2.251 -1.170 143 HB3 CYS 20 HB1 CYS 20 -2.621 -3.253 -0.624 Start of MODEL 16 1 H1 TYR 1 HT1 TYR 1 8.081 2.483 -2.356 2 H2 TYR 1 HT2 TYR 1 7.873 0.805 -2.341 3 H3 TYR 1 HT3 TYR 1 7.858 1.671 -0.888 4 HA TYR 1 HA TYR 1 5.886 1.947 -3.073 5 HB2 TYR 1 HB2 TYR 1 4.370 0.980 -1.113 6 HB3 TYR 1 HB1 TYR 1 5.241 -0.099 -2.185 7 HD1 TYR 1 HD1 TYR 1 4.943 1.180 1.223 8 HD2 TYR 1 HD2 TYR 1 7.231 -1.306 -1.364 9 HE1 TYR 1 HE1 TYR 1 6.023 0.152 3.175 10 HE2 TYR 1 HE2 TYR 1 8.315 -2.341 0.583 11 HH TYR 1 HH TYR 1 7.176 -1.945 3.749 12 H GLU 2 HN GLU 2 4.500 2.227 -0.044 13 HA GLU 2 HA GLU 2 4.967 5.109 0.207 14 HB2 GLU 2 HB2 GLU 2 2.884 4.470 -1.242 15 HB3 GLU 2 HB1 GLU 2 2.155 4.010 0.285 16 HG2 GLU 2 HG2 GLU 2 1.410 6.202 -0.240 17 HG3 GLU 2 HG1 GLU 2 2.546 6.343 1.093 18 H THR 3 HN THR 3 3.482 5.822 2.258 19 HA THR 3 HA THR 3 3.630 3.774 4.345 20 HB THR 3 HB THR 3 4.484 5.673 5.900 21 HG1 THR 3 HG1 THR 3 5.549 6.563 3.401 22 HG21 THR 3 HG21 THR 3 6.819 5.030 5.430 23 HG22 THR 3 HG22 THR 3 6.322 4.358 3.876 24 HG23 THR 3 HG23 THR 3 5.747 3.630 5.376 25 H GLY 4 HN GLY 4 1.913 3.712 5.529 26 HA2 GLY 4 HA2 GLY 4 0.328 5.044 6.935 27 HA3 GLY 4 HA1 GLY 4 0.050 6.007 5.490 28 H CYS 5 HN CYS 5 -0.194 4.141 3.520 29 HA CYS 5 HA CYS 5 -1.751 2.909 2.451 30 HB2 CYS 5 HB2 CYS 5 -1.533 1.324 5.015 31 HB3 CYS 5 HB1 CYS 5 -2.414 0.759 3.598 32 H LYS 6 HN LYS 6 -3.464 4.123 2.053 33 HA LYS 6 HA LYS 6 -5.358 5.016 3.937 34 HB2 LYS 6 HB2 LYS 6 -4.770 5.813 1.493 35 HB3 LYS 6 HB1 LYS 6 -6.087 4.735 1.056 36 HG2 LYS 6 HG2 LYS 6 -7.597 5.981 2.523 37 HG3 LYS 6 HG1 LYS 6 -6.273 7.063 2.963 38 HD2 LYS 6 HD2 LYS 6 -6.070 7.763 0.625 39 HD3 LYS 6 HD1 LYS 6 -7.387 6.676 0.182 40 HE2 LYS 6 HE2 LYS 6 -7.699 8.881 2.208 41 HE3 LYS 6 HE1 LYS 6 -7.991 9.119 0.486 42 HZ1 LYS 6 HZ1 LYS 6 -10.037 8.632 1.669 43 HZ2 LYS 6 HZ2 LYS 6 -9.403 7.167 2.226 44 HZ3 LYS 6 HZ3 LYS 6 -9.683 7.391 0.574 45 H ARG 7 HN ARG 7 -6.270 2.950 1.222 46 HA ARG 7 HA ARG 7 -7.884 1.315 3.054 47 HB2 ARG 7 HB2 ARG 7 -9.399 0.969 0.940 48 HB3 ARG 7 HB1 ARG 7 -9.577 2.428 1.897 49 HG2 ARG 7 HG2 ARG 7 -8.221 3.659 0.266 50 HG3 ARG 7 HG1 ARG 7 -8.052 2.192 -0.695 51 HD2 ARG 7 HD2 ARG 7 -10.487 2.108 -0.978 52 HD3 ARG 7 HD1 ARG 7 -10.642 3.587 -0.032 53 HE ARG 7 HE ARG 7 -8.900 4.141 -2.119 54 HH11 ARG 7 HH11 ARG 7 -12.278 3.243 -1.780 55 HH12 ARG 7 HH12 ARG 7 -12.758 4.052 -3.235 56 HH21 ARG 7 HH21 ARG 7 -9.551 5.194 -4.019 57 HH22 ARG 7 HH22 ARG 7 -11.214 5.155 -4.500 58 H CYS 8 HN CYS 8 -7.581 0.666 -0.370 59 HA CYS 8 HA CYS 8 -5.433 -1.218 -0.037 60 HB2 CYS 8 HB2 CYS 8 -7.440 -2.543 0.652 61 HB3 CYS 8 HB1 CYS 8 -8.106 -2.288 -0.959 62 H CYS 9 HN CYS 9 -4.168 -0.813 -1.686 63 HA CYS 9 HA CYS 9 -5.371 -0.222 -4.292 64 HB2 CYS 9 HB2 CYS 9 -3.077 1.024 -2.853 65 HB3 CYS 9 HB1 CYS 9 -2.998 0.930 -4.611 66 H TYR 10 HN TYR 10 -2.441 -1.524 -2.816 67 HA TYR 10 HA TYR 10 -2.349 -3.788 -4.580 68 HB2 TYR 10 HB2 TYR 10 -0.945 -1.364 -5.321 69 HB3 TYR 10 HB1 TYR 10 0.188 -2.687 -5.075 70 HD1 TYR 10 HD1 TYR 10 -2.345 -1.275 -7.232 71 HD2 TYR 10 HD2 TYR 10 -0.051 -4.770 -6.443 72 HE1 TYR 10 HE1 TYR 10 -2.870 -2.120 -9.480 73 HE2 TYR 10 HE2 TYR 10 -0.571 -5.626 -8.690 74 HH TYR 10 HH TYR 10 -2.292 -5.326 -10.422 75 H LEU 11 HN LEU 11 -0.096 -4.958 -4.283 76 HA LEU 11 HA LEU 11 0.843 -4.575 -1.520 77 HB2 LEU 11 HB2 LEU 11 0.526 -7.223 -2.940 78 HB3 LEU 11 HB1 LEU 11 1.039 -6.982 -1.281 79 HG LEU 11 HG LEU 11 -1.654 -6.019 -2.171 80 HD11 LEU 11 HD11 LEU 11 -0.975 -8.822 -1.315 81 HD12 LEU 11 HD12 LEU 11 -1.543 -8.319 -2.908 82 HD13 LEU 11 HD13 LEU 11 -2.603 -8.170 -1.506 83 HD21 LEU 11 HD21 LEU 11 -2.220 -6.323 0.154 84 HD22 LEU 11 HD22 LEU 11 -0.754 -5.351 0.029 85 HD23 LEU 11 HD23 LEU 11 -0.648 -7.053 0.476 86 H ASP 12 HN ASP 12 2.854 -3.889 -1.554 87 HA ASP 12 HA ASP 12 4.540 -4.380 -3.863 88 HB2 ASP 12 HB2 ASP 12 4.268 -2.170 -2.507 89 HB3 ASP 12 HB1 ASP 12 5.461 -2.889 -1.431 90 H GLU 13 HN GLU 13 5.445 -4.555 -0.385 91 HA GLU 13 HA GLU 13 6.928 -7.005 -1.016 92 HB2 GLU 13 HB2 GLU 13 8.091 -4.645 -0.383 93 HB3 GLU 13 HB1 GLU 13 7.928 -5.361 1.215 94 HG2 GLU 13 HG2 GLU 13 9.108 -7.357 0.415 95 HG3 GLU 13 HG1 GLU 13 9.318 -6.580 -1.153 96 H TYR 14 HN TYR 14 5.940 -5.232 1.879 97 HA TYR 14 HA TYR 14 5.415 -7.697 3.310 98 HB2 TYR 14 HB2 TYR 14 5.265 -4.795 4.134 99 HB3 TYR 14 HB1 TYR 14 4.842 -6.124 5.207 100 HD1 TYR 14 HD1 TYR 14 6.558 -7.584 6.118 101 HD2 TYR 14 HD2 TYR 14 7.579 -4.377 3.514 102 HE1 TYR 14 HE1 TYR 14 8.916 -7.802 6.783 103 HE2 TYR 14 HE2 TYR 14 9.939 -4.588 4.171 104 HH TYR 14 HH TYR 14 11.256 -5.456 6.058 105 H GLY 15 HN GLY 15 3.650 -5.310 1.583 106 HA2 GLY 15 HA2 GLY 15 1.434 -6.059 0.799 107 HA3 GLY 15 HA1 GLY 15 1.111 -6.541 2.456 108 H CYS 16 HN CYS 16 2.832 -3.597 1.960 109 HA CYS 16 HA CYS 16 0.372 -2.032 2.308 110 HB2 CYS 16 HB2 CYS 16 2.121 -2.438 4.362 111 HB3 CYS 16 HB1 CYS 16 2.762 -0.956 3.660 112 H ILE 17 HN ILE 17 0.185 -0.377 0.990 113 HA ILE 17 HA ILE 17 2.535 0.839 -0.232 114 HB ILE 17 HB ILE 17 1.675 -0.937 -1.767 115 HG12 ILE 17 HG12 ILE 17 1.412 1.875 -2.875 116 HG13 ILE 17 HG11 ILE 17 2.925 1.029 -2.615 117 HG21 ILE 17 HG21 ILE 17 -0.809 0.768 -1.916 118 HG22 ILE 17 HG22 ILE 17 -0.683 -0.890 -1.331 119 HG23 ILE 17 HG23 ILE 17 -0.416 -0.536 -3.038 120 HD11 ILE 17 HD11 ILE 17 2.269 0.977 -4.955 121 HD12 ILE 17 HD12 ILE 17 0.751 0.192 -4.522 122 HD13 ILE 17 HD13 ILE 17 2.280 -0.648 -4.269 123 H ARG 18 HN ARG 18 0.256 2.147 -2.008 124 HA ARG 18 HA ARG 18 0.013 4.548 -0.499 125 HB2 ARG 18 HB2 ARG 18 0.175 4.211 -3.049 126 HB3 ARG 18 HB1 ARG 18 -1.536 3.822 -2.980 127 HG2 ARG 18 HG2 ARG 18 -1.791 6.110 -1.813 128 HG3 ARG 18 HG1 ARG 18 -0.179 6.442 -2.449 129 HD2 ARG 18 HD2 ARG 18 -1.780 7.299 -4.007 130 HD3 ARG 18 HD1 ARG 18 -1.036 5.871 -4.722 131 HE ARG 18 HE ARG 18 -3.186 4.758 -3.702 132 HH11 ARG 18 HH11 ARG 18 -2.987 7.843 -5.374 133 HH12 ARG 18 HH12 ARG 18 -4.612 7.754 -5.970 134 HH21 ARG 18 HH21 ARG 18 -5.309 4.666 -4.493 135 HH22 ARG 18 HH22 ARG 18 -5.923 5.957 -5.469 136 H CYS 19 HN CYS 19 -1.796 1.671 -0.619 137 HA CYS 19 HA CYS 19 -3.917 2.807 0.986 138 HB2 CYS 19 HB2 CYS 19 -4.754 1.121 -1.349 139 HB3 CYS 19 HB1 CYS 19 -5.732 2.208 -0.370 140 H CYS 20 HN CYS 20 -3.011 -0.171 -0.716 141 HA CYS 20 HA CYS 20 -3.871 -1.773 1.564 142 HB2 CYS 20 HB2 CYS 20 -3.956 -2.258 -1.171 143 HB3 CYS 20 HB1 CYS 20 -2.623 -3.261 -0.620 Start of MODEL 17 1 H1 TYR 1 HT1 TYR 1 7.719 2.702 -2.398 2 H2 TYR 1 HT2 TYR 1 7.614 1.016 -2.476 3 H3 TYR 1 HT3 TYR 1 7.663 1.791 -0.973 4 HA TYR 1 HA TYR 1 5.511 2.075 -2.979 5 HB2 TYR 1 HB2 TYR 1 4.213 0.894 -0.978 6 HB3 TYR 1 HB1 TYR 1 5.051 -0.059 -2.188 7 HD1 TYR 1 HD1 TYR 1 4.895 0.893 1.319 8 HD2 TYR 1 HD2 TYR 1 7.233 -1.119 -1.612 9 HE1 TYR 1 HE1 TYR 1 6.181 -0.198 3.102 10 HE2 TYR 1 HE2 TYR 1 8.524 -2.217 0.165 11 HH TYR 1 HH TYR 1 9.087 -1.851 2.529 12 H GLU 2 HN GLU 2 4.527 2.070 0.269 13 HA GLU 2 HA GLU 2 4.743 4.975 0.561 14 HB2 GLU 2 HB2 GLU 2 2.490 4.017 -0.514 15 HB3 GLU 2 HB1 GLU 2 2.095 3.727 1.172 16 HG2 GLU 2 HG2 GLU 2 1.170 5.806 0.773 17 HG3 GLU 2 HG1 GLU 2 2.716 6.208 1.514 18 H THR 3 HN THR 3 3.164 5.257 2.838 19 HA THR 3 HA THR 3 4.204 3.362 4.812 20 HB THR 3 HB THR 3 4.602 5.462 6.300 21 HG1 THR 3 HG1 THR 3 5.371 6.708 3.908 22 HG21 THR 3 HG21 THR 3 6.518 4.729 4.067 23 HG22 THR 3 HG22 THR 3 6.378 3.903 5.619 24 HG23 THR 3 HG23 THR 3 6.955 5.568 5.555 25 H GLY 4 HN GLY 4 2.033 5.959 4.014 26 HA2 GLY 4 HA2 GLY 4 0.478 5.998 6.373 27 HA3 GLY 4 HA1 GLY 4 -0.014 6.630 4.814 28 H CYS 5 HN CYS 5 -0.236 4.450 3.212 29 HA CYS 5 HA CYS 5 -1.690 2.835 2.577 30 HB2 CYS 5 HB2 CYS 5 -1.350 1.818 5.412 31 HB3 CYS 5 HB1 CYS 5 -1.979 0.892 4.053 32 H LYS 6 HN LYS 6 -3.571 3.783 2.108 33 HA LYS 6 HA LYS 6 -5.388 4.736 4.120 34 HB2 LYS 6 HB2 LYS 6 -4.904 5.637 1.691 35 HB3 LYS 6 HB1 LYS 6 -6.164 4.496 1.246 36 HG2 LYS 6 HG2 LYS 6 -7.716 5.605 2.776 37 HG3 LYS 6 HG1 LYS 6 -6.449 6.749 3.229 38 HD2 LYS 6 HD2 LYS 6 -6.331 7.529 0.909 39 HD3 LYS 6 HD1 LYS 6 -7.597 6.384 0.460 40 HE2 LYS 6 HE2 LYS 6 -9.149 7.506 1.985 41 HE3 LYS 6 HE1 LYS 6 -7.882 8.648 2.435 42 HZ1 LYS 6 HZ1 LYS 6 -9.030 8.318 -0.286 43 HZ2 LYS 6 HZ2 LYS 6 -7.814 9.414 0.142 44 HZ3 LYS 6 HZ3 LYS 6 -9.370 9.586 0.783 45 H ARG 7 HN ARG 7 -6.324 2.751 1.359 46 HA ARG 7 HA ARG 7 -7.789 0.973 3.187 47 HB2 ARG 7 HB2 ARG 7 -9.283 0.558 1.062 48 HB3 ARG 7 HB1 ARG 7 -9.563 1.976 2.057 49 HG2 ARG 7 HG2 ARG 7 -8.255 3.322 0.447 50 HG3 ARG 7 HG1 ARG 7 -8.082 1.891 -0.568 51 HD2 ARG 7 HD2 ARG 7 -10.518 1.747 -0.774 52 HD3 ARG 7 HD1 ARG 7 -10.685 3.184 0.233 53 HE ARG 7 HE ARG 7 -9.032 3.860 -1.896 54 HH11 ARG 7 HH11 ARG 7 -12.376 2.884 -1.453 55 HH12 ARG 7 HH12 ARG 7 -12.931 3.741 -2.851 56 HH21 ARG 7 HH21 ARG 7 -9.781 4.974 -3.722 57 HH22 ARG 7 HH22 ARG 7 -11.462 4.923 -4.135 58 H CYS 8 HN CYS 8 -7.341 0.486 -0.265 59 HA CYS 8 HA CYS 8 -5.051 -1.134 -0.070 60 HB2 CYS 8 HB2 CYS 8 -7.632 -2.540 0.152 61 HB3 CYS 8 HB1 CYS 8 -6.478 -3.228 -0.990 62 H CYS 9 HN CYS 9 -4.020 -0.836 -1.784 63 HA CYS 9 HA CYS 9 -5.440 -0.454 -4.319 64 HB2 CYS 9 HB2 CYS 9 -3.148 0.957 -3.056 65 HB3 CYS 9 HB1 CYS 9 -3.105 0.760 -4.805 66 H TYR 10 HN TYR 10 -2.337 -1.490 -2.998 67 HA TYR 10 HA TYR 10 -2.260 -3.854 -4.649 68 HB2 TYR 10 HB2 TYR 10 -0.958 -1.430 -5.524 69 HB3 TYR 10 HB1 TYR 10 0.242 -2.681 -5.218 70 HD1 TYR 10 HD1 TYR 10 -2.552 -1.636 -7.309 71 HD2 TYR 10 HD2 TYR 10 0.255 -4.733 -6.531 72 HE1 TYR 10 HE1 TYR 10 -3.072 -2.646 -9.494 73 HE2 TYR 10 HE2 TYR 10 -0.254 -5.754 -8.714 74 HH TYR 10 HH TYR 10 -2.010 -4.145 -11.129 75 H LEU 11 HN LEU 11 -0.015 -4.985 -4.333 76 HA LEU 11 HA LEU 11 0.952 -4.508 -1.592 77 HB2 LEU 11 HB2 LEU 11 0.574 -7.200 -2.911 78 HB3 LEU 11 HB1 LEU 11 1.151 -6.917 -1.281 79 HG LEU 11 HG LEU 11 -1.303 -5.605 -1.381 80 HD11 LEU 11 HD11 LEU 11 -1.811 -6.697 -3.481 81 HD12 LEU 11 HD12 LEU 11 -2.859 -7.291 -2.192 82 HD13 LEU 11 HD13 LEU 11 -1.504 -8.273 -2.752 83 HD21 LEU 11 HD21 LEU 11 -0.387 -8.222 -0.236 84 HD22 LEU 11 HD22 LEU 11 -2.033 -7.638 -0.006 85 HD23 LEU 11 HD23 LEU 11 -0.674 -6.688 0.587 86 H ASP 12 HN ASP 12 2.976 -3.843 -1.674 87 HA ASP 12 HA ASP 12 4.634 -4.491 -3.973 88 HB2 ASP 12 HB2 ASP 12 4.378 -2.179 -2.798 89 HB3 ASP 12 HB1 ASP 12 5.571 -2.814 -1.669 90 H GLU 13 HN GLU 13 5.285 -4.567 -0.427 91 HA GLU 13 HA GLU 13 6.989 -6.912 -0.927 92 HB2 GLU 13 HB2 GLU 13 7.530 -4.555 0.860 93 HB3 GLU 13 HB1 GLU 13 8.359 -6.089 1.075 94 HG2 GLU 13 HG2 GLU 13 8.376 -4.642 -1.553 95 HG3 GLU 13 HG1 GLU 13 9.532 -4.269 -0.275 96 H TYR 14 HN TYR 14 5.924 -5.314 2.030 97 HA TYR 14 HA TYR 14 5.270 -7.835 3.267 98 HB2 TYR 14 HB2 TYR 14 5.050 -4.988 4.255 99 HB3 TYR 14 HB1 TYR 14 4.643 -6.396 5.231 100 HD1 TYR 14 HD1 TYR 14 7.363 -4.460 3.724 101 HD2 TYR 14 HD2 TYR 14 6.386 -7.863 6.084 102 HE1 TYR 14 HE1 TYR 14 9.713 -4.642 4.425 103 HE2 TYR 14 HE2 TYR 14 8.733 -8.055 6.790 104 HH TYR 14 HH TYR 14 10.958 -7.381 5.990 105 H GLY 15 HN GLY 15 3.589 -5.298 1.660 106 HA2 GLY 15 HA2 GLY 15 1.422 -6.014 0.703 107 HA3 GLY 15 HA1 GLY 15 1.008 -6.577 2.312 108 H CYS 16 HN CYS 16 2.678 -3.564 1.598 109 HA CYS 16 HA CYS 16 0.234 -2.039 2.118 110 HB2 CYS 16 HB2 CYS 16 2.151 -2.410 4.097 111 HB3 CYS 16 HB1 CYS 16 2.546 -0.832 3.425 112 H ILE 17 HN ILE 17 -0.017 -0.481 0.724 113 HA ILE 17 HA ILE 17 2.294 0.883 -0.426 114 HB ILE 17 HB ILE 17 1.437 -0.981 -1.947 115 HG12 ILE 17 HG12 ILE 17 1.493 1.845 -3.049 116 HG13 ILE 17 HG11 ILE 17 2.895 0.844 -2.726 117 HG21 ILE 17 HG21 ILE 17 -0.951 -0.707 -1.645 118 HG22 ILE 17 HG22 ILE 17 -0.529 -0.500 -3.344 119 HG23 ILE 17 HG23 ILE 17 -0.882 0.911 -2.347 120 HD11 ILE 17 HD11 ILE 17 0.758 0.278 -4.772 121 HD12 ILE 17 HD12 ILE 17 2.171 -0.729 -4.455 122 HD13 ILE 17 HD13 ILE 17 2.375 0.901 -5.098 123 H ARG 18 HN ARG 18 0.483 2.359 -2.264 124 HA ARG 18 HA ARG 18 -0.024 4.675 -0.851 125 HB2 ARG 18 HB2 ARG 18 0.143 4.216 -3.375 126 HB3 ARG 18 HB1 ARG 18 -1.566 3.820 -3.293 127 HG2 ARG 18 HG2 ARG 18 -1.841 6.159 -2.239 128 HG3 ARG 18 HG1 ARG 18 -0.227 6.472 -2.881 129 HD2 ARG 18 HD2 ARG 18 -1.849 7.241 -4.477 130 HD3 ARG 18 HD1 ARG 18 -1.053 5.809 -5.129 131 HE ARG 18 HE ARG 18 -3.208 4.709 -4.033 132 HH11 ARG 18 HH11 ARG 18 -2.979 7.586 -6.039 133 HH12 ARG 18 HH12 ARG 18 -4.570 7.394 -6.696 134 HH21 ARG 18 HH21 ARG 18 -5.289 4.483 -4.906 135 HH22 ARG 18 HH22 ARG 18 -5.876 5.639 -6.054 136 H CYS 19 HN CYS 19 -1.873 1.808 -0.787 137 HA CYS 19 HA CYS 19 -4.020 3.128 0.654 138 HB2 CYS 19 HB2 CYS 19 -4.700 1.126 -1.483 139 HB3 CYS 19 HB1 CYS 19 -5.782 2.220 -0.634 140 H CYS 20 HN CYS 20 -2.913 -0.009 -0.542 141 HA CYS 20 HA CYS 20 -4.066 -1.493 1.620 142 HB2 CYS 20 HB2 CYS 20 -3.303 -2.147 -0.901 143 HB3 CYS 20 HB1 CYS 20 -1.939 -2.764 0.015 Start of MODEL 18 1 H1 TYR 1 HT1 TYR 1 7.682 0.984 -2.439 2 H2 TYR 1 HT2 TYR 1 7.718 1.775 -0.945 3 H3 TYR 1 HT3 TYR 1 7.776 2.673 -2.377 4 HA TYR 1 HA TYR 1 5.576 2.025 -2.965 5 HB2 TYR 1 HB2 TYR 1 4.277 0.856 -0.948 6 HB3 TYR 1 HB1 TYR 1 5.110 -0.096 -2.163 7 HD1 TYR 1 HD1 TYR 1 4.969 0.853 1.344 8 HD2 TYR 1 HD2 TYR 1 7.302 -1.148 -1.600 9 HE1 TYR 1 HE1 TYR 1 6.270 -0.233 3.120 10 HE2 TYR 1 HE2 TYR 1 8.608 -2.239 0.173 11 HH TYR 1 HH TYR 1 9.181 -1.871 2.533 12 H GLU 2 HN GLU 2 4.570 2.047 0.277 13 HA GLU 2 HA GLU 2 4.768 4.957 0.538 14 HB2 GLU 2 HB2 GLU 2 2.532 3.977 -0.549 15 HB3 GLU 2 HB1 GLU 2 2.120 3.698 1.136 16 HG2 GLU 2 HG2 GLU 2 1.179 5.768 0.659 17 HG3 GLU 2 HG1 GLU 2 2.679 6.173 1.489 18 H THR 3 HN THR 3 3.177 5.261 2.799 19 HA THR 3 HA THR 3 4.204 3.389 4.801 20 HB THR 3 HB THR 3 4.590 5.506 6.269 21 HG1 THR 3 HG1 THR 3 5.374 6.726 3.868 22 HG21 THR 3 HG21 THR 3 6.522 4.748 4.057 23 HG22 THR 3 HG22 THR 3 6.371 3.942 5.618 24 HG23 THR 3 HG23 THR 3 6.949 5.606 5.538 25 H GLY 4 HN GLY 4 2.035 5.976 3.960 26 HA2 GLY 4 HA2 GLY 4 0.467 6.056 6.305 27 HA3 GLY 4 HA1 GLY 4 -0.022 6.645 4.727 28 H CYS 5 HN CYS 5 -0.238 4.435 3.178 29 HA CYS 5 HA CYS 5 -1.682 2.795 2.581 30 HB2 CYS 5 HB2 CYS 5 -1.310 1.836 5.432 31 HB3 CYS 5 HB1 CYS 5 -1.951 0.880 4.100 32 H LYS 6 HN LYS 6 -3.563 3.732 2.104 33 HA LYS 6 HA LYS 6 -5.389 4.707 4.093 34 HB2 LYS 6 HB2 LYS 6 -4.914 5.547 1.642 35 HB3 LYS 6 HB1 LYS 6 -6.160 4.382 1.225 36 HG2 LYS 6 HG2 LYS 6 -7.727 5.514 2.723 37 HG3 LYS 6 HG1 LYS 6 -6.474 6.682 3.148 38 HD2 LYS 6 HD2 LYS 6 -6.359 7.404 0.810 39 HD3 LYS 6 HD1 LYS 6 -7.612 6.235 0.388 40 HE2 LYS 6 HE2 LYS 6 -9.178 7.380 1.879 41 HE3 LYS 6 HE1 LYS 6 -7.925 8.545 2.303 42 HZ1 LYS 6 HZ1 LYS 6 -7.856 9.255 -0.006 43 HZ2 LYS 6 HZ2 LYS 6 -9.416 9.425 0.623 44 HZ3 LYS 6 HZ3 LYS 6 -9.060 8.137 -0.412 45 H ARG 7 HN ARG 7 -6.340 2.662 1.384 46 HA ARG 7 HA ARG 7 -7.736 0.879 3.259 47 HB2 ARG 7 HB2 ARG 7 -9.315 0.470 1.193 48 HB3 ARG 7 HB1 ARG 7 -9.562 1.876 2.213 49 HG2 ARG 7 HG2 ARG 7 -8.390 3.270 0.577 50 HG3 ARG 7 HG1 ARG 7 -8.135 1.856 -0.445 51 HD2 ARG 7 HD2 ARG 7 -10.558 1.572 -0.649 52 HD3 ARG 7 HD1 ARG 7 -10.809 2.989 0.370 53 HE ARG 7 HE ARG 7 -9.197 3.754 -1.773 54 HH11 ARG 7 HH11 ARG 7 -12.500 2.672 -1.265 55 HH12 ARG 7 HH12 ARG 7 -13.112 3.525 -2.641 56 HH21 ARG 7 HH21 ARG 7 -10.022 4.863 -3.570 57 HH22 ARG 7 HH22 ARG 7 -11.710 4.764 -3.945 58 H CYS 8 HN CYS 8 -7.397 0.442 -0.215 59 HA CYS 8 HA CYS 8 -5.137 -1.270 -0.035 60 HB2 CYS 8 HB2 CYS 8 -7.036 -2.770 0.767 61 HB3 CYS 8 HB1 CYS 8 -7.640 -2.705 -0.888 62 H CYS 9 HN CYS 9 -4.022 -0.911 -1.742 63 HA CYS 9 HA CYS 9 -5.386 -0.375 -4.283 64 HB2 CYS 9 HB2 CYS 9 -3.168 1.037 -2.915 65 HB3 CYS 9 HB1 CYS 9 -3.016 0.849 -4.657 66 H TYR 10 HN TYR 10 -2.364 -1.517 -2.883 67 HA TYR 10 HA TYR 10 -2.210 -3.772 -4.651 68 HB2 TYR 10 HB2 TYR 10 -1.000 -1.325 -5.477 69 HB3 TYR 10 HB1 TYR 10 0.291 -2.451 -5.069 70 HD1 TYR 10 HD1 TYR 10 -2.493 -1.747 -7.321 71 HD2 TYR 10 HD2 TYR 10 0.609 -4.484 -6.345 72 HE1 TYR 10 HE1 TYR 10 -2.786 -2.845 -9.507 73 HE2 TYR 10 HE2 TYR 10 0.329 -5.594 -8.528 74 HH TYR 10 HH TYR 10 -1.407 -5.855 -10.250 75 H LEU 11 HN LEU 11 0.070 -4.867 -4.357 76 HA LEU 11 HA LEU 11 1.002 -4.503 -1.589 77 HB2 LEU 11 HB2 LEU 11 0.590 -7.155 -2.977 78 HB3 LEU 11 HB1 LEU 11 1.177 -6.924 -1.342 79 HG LEU 11 HG LEU 11 -1.229 -5.589 -1.311 80 HD11 LEU 11 HD11 LEU 11 -1.559 -8.086 -2.955 81 HD12 LEU 11 HD12 LEU 11 -1.792 -6.430 -3.515 82 HD13 LEU 11 HD13 LEU 11 -2.862 -7.104 -2.285 83 HD21 LEU 11 HD21 LEU 11 -2.032 -7.730 -0.155 84 HD22 LEU 11 HD22 LEU 11 -0.628 -6.910 0.518 85 HD23 LEU 11 HD23 LEU 11 -0.414 -8.352 -0.472 86 H ASP 12 HN ASP 12 3.023 -3.824 -1.681 87 HA ASP 12 HA ASP 12 4.683 -4.487 -3.979 88 HB2 ASP 12 HB2 ASP 12 4.417 -2.160 -2.843 89 HB3 ASP 12 HB1 ASP 12 5.601 -2.773 -1.695 90 H GLU 13 HN GLU 13 5.265 -4.559 -0.422 91 HA GLU 13 HA GLU 13 7.037 -6.850 -0.886 92 HB2 GLU 13 HB2 GLU 13 7.909 -4.432 -0.082 93 HB3 GLU 13 HB1 GLU 13 7.566 -5.164 1.480 94 HG2 GLU 13 HG2 GLU 13 9.001 -7.060 0.878 95 HG3 GLU 13 HG1 GLU 13 9.379 -6.263 -0.648 96 H TYR 14 HN TYR 14 5.852 -5.348 2.075 97 HA TYR 14 HA TYR 14 5.152 -7.916 3.196 98 HB2 TYR 14 HB2 TYR 14 4.990 -5.107 4.292 99 HB3 TYR 14 HB1 TYR 14 4.480 -6.527 5.198 100 HD1 TYR 14 HD1 TYR 14 7.343 -4.672 3.872 101 HD2 TYR 14 HD2 TYR 14 6.116 -8.107 6.063 102 HE1 TYR 14 HE1 TYR 14 9.653 -4.992 4.654 103 HE2 TYR 14 HE2 TYR 14 8.421 -8.436 6.851 104 HH TYR 14 HH TYR 14 10.706 -7.842 6.162 105 H GLY 15 HN GLY 15 3.543 -5.289 1.658 106 HA2 GLY 15 HA2 GLY 15 1.379 -5.949 0.637 107 HA3 GLY 15 HA1 GLY 15 0.928 -6.543 2.224 108 H CYS 16 HN CYS 16 2.667 -3.548 1.618 109 HA CYS 16 HA CYS 16 0.244 -1.995 2.157 110 HB2 CYS 16 HB2 CYS 16 2.154 -2.433 4.123 111 HB3 CYS 16 HB1 CYS 16 2.588 -0.855 3.474 112 H ILE 17 HN ILE 17 0.001 -0.486 0.710 113 HA ILE 17 HA ILE 17 2.319 0.915 -0.384 114 HB ILE 17 HB ILE 17 1.542 -0.970 -1.913 115 HG12 ILE 17 HG12 ILE 17 1.694 1.895 -2.893 116 HG13 ILE 17 HG11 ILE 17 3.009 0.748 -2.735 117 HG21 ILE 17 HG21 ILE 17 -0.858 -0.751 -1.658 118 HG22 ILE 17 HG22 ILE 17 -0.412 -0.544 -3.352 119 HG23 ILE 17 HG23 ILE 17 -0.815 0.864 -2.369 120 HD11 ILE 17 HD11 ILE 17 0.750 0.571 -4.720 121 HD12 ILE 17 HD12 ILE 17 2.080 -0.578 -4.567 122 HD13 ILE 17 HD13 ILE 17 2.403 1.085 -5.061 123 H ARG 18 HN ARG 18 0.464 2.281 -2.302 124 HA ARG 18 HA ARG 18 -0.060 4.649 -0.998 125 HB2 ARG 18 HB2 ARG 18 -0.992 3.369 -3.529 126 HB3 ARG 18 HB1 ARG 18 -1.719 4.891 -3.032 127 HG2 ARG 18 HG2 ARG 18 0.374 6.017 -3.131 128 HG3 ARG 18 HG1 ARG 18 1.250 4.496 -3.314 129 HD2 ARG 18 HD2 ARG 18 -0.769 5.510 -5.310 130 HD3 ARG 18 HD1 ARG 18 0.959 5.841 -5.422 131 HE ARG 18 HE ARG 18 0.300 3.040 -5.205 132 HH11 ARG 18 HH11 ARG 18 0.809 5.691 -7.453 133 HH12 ARG 18 HH12 ARG 18 1.171 4.644 -8.784 134 HH21 ARG 18 HH21 ARG 18 0.781 1.690 -6.961 135 HH22 ARG 18 HH22 ARG 18 1.155 2.381 -8.504 136 H CYS 19 HN CYS 19 -1.906 1.774 -0.801 137 HA CYS 19 HA CYS 19 -4.003 3.144 0.657 138 HB2 CYS 19 HB2 CYS 19 -4.767 1.160 -1.470 139 HB3 CYS 19 HB1 CYS 19 -5.822 2.232 -0.562 140 H CYS 20 HN CYS 20 -2.923 -0.022 -0.505 141 HA CYS 20 HA CYS 20 -4.073 -1.411 1.735 142 HB2 CYS 20 HB2 CYS 20 -3.369 -2.210 -0.796 143 HB3 CYS 20 HB1 CYS 20 -2.066 -2.884 0.175 Start of MODEL 19 1 H1 TYR 1 HT1 TYR 1 7.686 1.794 -0.884 2 H2 TYR 1 HT2 TYR 1 7.779 2.699 -2.309 3 H3 TYR 1 HT3 TYR 1 7.668 1.013 -2.385 4 HA TYR 1 HA TYR 1 5.581 2.079 -2.939 5 HB2 TYR 1 HB2 TYR 1 4.233 0.915 -0.960 6 HB3 TYR 1 HB1 TYR 1 5.087 -0.047 -2.153 7 HD1 TYR 1 HD1 TYR 1 4.859 0.899 1.351 8 HD2 TYR 1 HD2 TYR 1 7.264 -1.108 -1.532 9 HE1 TYR 1 HE1 TYR 1 6.105 -0.200 3.160 10 HE2 TYR 1 HE2 TYR 1 8.513 -2.213 0.273 11 HH TYR 1 HH TYR 1 7.466 -2.218 3.497 12 H GLU 2 HN GLU 2 4.566 2.089 0.307 13 HA GLU 2 HA GLU 2 4.756 4.999 0.573 14 HB2 GLU 2 HB2 GLU 2 2.515 4.010 -0.500 15 HB3 GLU 2 HB1 GLU 2 2.117 3.734 1.189 16 HG2 GLU 2 HG2 GLU 2 1.176 5.801 0.769 17 HG3 GLU 2 HG1 GLU 2 2.719 6.224 1.506 18 H THR 3 HN THR 3 3.170 5.290 2.841 19 HA THR 3 HA THR 3 4.217 3.421 4.836 20 HB THR 3 HB THR 3 4.595 5.539 6.305 21 HG1 THR 3 HG1 THR 3 5.364 6.761 3.900 22 HG21 THR 3 HG21 THR 3 6.951 5.650 5.571 23 HG22 THR 3 HG22 THR 3 6.526 4.794 4.088 24 HG23 THR 3 HG23 THR 3 6.381 3.983 5.647 25 H GLY 4 HN GLY 4 2.030 5.993 4.003 26 HA2 GLY 4 HA2 GLY 4 0.468 6.047 6.358 27 HA3 GLY 4 HA1 GLY 4 -0.021 6.661 4.791 28 H CYS 5 HN CYS 5 -0.230 4.466 3.210 29 HA CYS 5 HA CYS 5 -1.676 2.835 2.588 30 HB2 CYS 5 HB2 CYS 5 -1.328 1.855 5.436 31 HB3 CYS 5 HB1 CYS 5 -1.971 0.912 4.096 32 H LYS 6 HN LYS 6 -3.559 3.772 2.105 33 HA LYS 6 HA LYS 6 -5.385 4.737 4.104 34 HB2 LYS 6 HB2 LYS 6 -4.896 5.630 1.678 35 HB3 LYS 6 HB1 LYS 6 -6.140 4.475 1.225 36 HG2 LYS 6 HG2 LYS 6 -7.717 5.576 2.736 37 HG3 LYS 6 HG1 LYS 6 -6.467 6.734 3.195 38 HD2 LYS 6 HD2 LYS 6 -6.334 7.506 0.874 39 HD3 LYS 6 HD1 LYS 6 -7.581 6.345 0.416 40 HE2 LYS 6 HE2 LYS 6 -8.012 8.475 2.499 41 HE3 LYS 6 HE1 LYS 6 -8.342 8.734 0.788 42 HZ1 LYS 6 HZ1 LYS 6 -10.336 8.084 1.983 43 HZ2 LYS 6 HZ2 LYS 6 -9.598 6.651 2.494 44 HZ3 LYS 6 HZ3 LYS 6 -9.915 6.897 0.851 45 H ARG 7 HN ARG 7 -6.306 2.729 1.355 46 HA ARG 7 HA ARG 7 -7.766 0.957 3.191 47 HB2 ARG 7 HB2 ARG 7 -9.265 0.534 1.071 48 HB3 ARG 7 HB1 ARG 7 -9.546 1.950 2.065 49 HG2 ARG 7 HG2 ARG 7 -8.263 3.306 0.452 50 HG3 ARG 7 HG1 ARG 7 -8.059 1.874 -0.558 51 HD2 ARG 7 HD2 ARG 7 -10.492 1.689 -0.778 52 HD3 ARG 7 HD1 ARG 7 -10.688 3.128 0.221 53 HE ARG 7 HE ARG 7 -9.036 3.837 -1.888 54 HH11 ARG 7 HH11 ARG 7 -12.352 2.745 -1.506 55 HH12 ARG 7 HH12 ARG 7 -12.908 3.571 -2.923 56 HH21 ARG 7 HH21 ARG 7 -9.787 4.910 -3.739 57 HH22 ARG 7 HH22 ARG 7 -11.456 4.795 -4.185 58 H CYS 8 HN CYS 8 -7.320 0.467 -0.260 59 HA CYS 8 HA CYS 8 -5.030 -1.150 -0.070 60 HB2 CYS 8 HB2 CYS 8 -7.610 -2.560 0.150 61 HB3 CYS 8 HB1 CYS 8 -6.448 -3.248 -0.983 62 H CYS 9 HN CYS 9 -4.002 -0.865 -1.791 63 HA CYS 9 HA CYS 9 -5.434 -0.458 -4.314 64 HB2 CYS 9 HB2 CYS 9 -3.128 0.924 -3.054 65 HB3 CYS 9 HB1 CYS 9 -3.076 0.723 -4.803 66 H TYR 10 HN TYR 10 -2.340 -1.549 -3.019 67 HA TYR 10 HA TYR 10 -2.300 -3.897 -4.698 68 HB2 TYR 10 HB2 TYR 10 -0.923 -1.471 -5.495 69 HB3 TYR 10 HB1 TYR 10 0.211 -2.797 -5.268 70 HD1 TYR 10 HD1 TYR 10 -2.503 -1.474 -7.303 71 HD2 TYR 10 HD2 TYR 10 0.049 -4.817 -6.668 72 HE1 TYR 10 HE1 TYR 10 -3.100 -2.344 -9.524 73 HE2 TYR 10 HE2 TYR 10 -0.541 -5.698 -8.888 74 HH TYR 10 HH TYR 10 -2.371 -5.504 -10.519 75 H LEU 11 HN LEU 11 -0.067 -5.061 -4.392 76 HA LEU 11 HA LEU 11 0.862 -4.651 -1.629 77 HB2 LEU 11 HB2 LEU 11 0.664 -7.298 -3.067 78 HB3 LEU 11 HB1 LEU 11 1.086 -7.042 -1.384 79 HG LEU 11 HG LEU 11 -1.584 -6.148 -2.396 80 HD11 LEU 11 HD11 LEU 11 -0.876 -8.950 -1.557 81 HD12 LEU 11 HD12 LEU 11 -1.385 -8.429 -3.165 82 HD13 LEU 11 HD13 LEU 11 -2.510 -8.334 -1.809 83 HD21 LEU 11 HD21 LEU 11 -0.663 -7.188 0.281 84 HD22 LEU 11 HD22 LEU 11 -2.256 -6.533 -0.101 85 HD23 LEU 11 HD23 LEU 11 -0.836 -5.487 -0.150 86 H ASP 12 HN ASP 12 2.852 -3.908 -1.632 87 HA ASP 12 HA ASP 12 4.592 -4.364 -3.911 88 HB2 ASP 12 HB2 ASP 12 4.232 -2.149 -2.573 89 HB3 ASP 12 HB1 ASP 12 5.435 -2.826 -1.481 90 H GLU 13 HN GLU 13 5.371 -4.521 -0.395 91 HA GLU 13 HA GLU 13 6.979 -6.902 -0.986 92 HB2 GLU 13 HB2 GLU 13 8.015 -4.511 -0.263 93 HB3 GLU 13 HB1 GLU 13 7.793 -5.252 1.316 94 HG2 GLU 13 HG2 GLU 13 9.092 -7.192 0.562 95 HG3 GLU 13 HG1 GLU 13 9.355 -6.388 -0.984 96 H TYR 14 HN TYR 14 5.774 -5.224 1.885 97 HA TYR 14 HA TYR 14 5.244 -7.754 3.213 98 HB2 TYR 14 HB2 TYR 14 5.075 -4.890 4.149 99 HB3 TYR 14 HB1 TYR 14 4.607 -6.259 5.152 100 HD1 TYR 14 HD1 TYR 14 7.411 -4.461 3.631 101 HD2 TYR 14 HD2 TYR 14 6.284 -7.767 6.059 102 HE1 TYR 14 HE1 TYR 14 9.745 -4.713 4.361 103 HE2 TYR 14 HE2 TYR 14 8.615 -8.028 6.797 104 HH TYR 14 HH TYR 14 10.872 -7.458 6.005 105 H GLY 15 HN GLY 15 3.529 -5.303 1.529 106 HA2 GLY 15 HA2 GLY 15 1.335 -6.040 0.659 107 HA3 GLY 15 HA1 GLY 15 0.964 -6.548 2.297 108 H CYS 16 HN CYS 16 2.692 -3.586 1.789 109 HA CYS 16 HA CYS 16 0.229 -2.034 2.182 110 HB2 CYS 16 HB2 CYS 16 2.135 -2.414 4.162 111 HB3 CYS 16 HB1 CYS 16 2.553 -0.845 3.484 112 H ILE 17 HN ILE 17 -0.005 -0.458 0.794 113 HA ILE 17 HA ILE 17 2.317 0.848 -0.386 114 HB ILE 17 HB ILE 17 1.459 -1.023 -1.884 115 HG12 ILE 17 HG12 ILE 17 1.466 1.774 -3.056 116 HG13 ILE 17 HG11 ILE 17 2.893 0.823 -2.687 117 HG21 ILE 17 HG21 ILE 17 -0.516 -0.579 -3.277 118 HG22 ILE 17 HG22 ILE 17 -0.874 0.844 -2.299 119 HG23 ILE 17 HG23 ILE 17 -0.928 -0.762 -1.572 120 HD11 ILE 17 HD11 ILE 17 2.230 -0.829 -4.363 121 HD12 ILE 17 HD12 ILE 17 2.385 0.782 -5.065 122 HD13 ILE 17 HD13 ILE 17 0.787 0.119 -4.723 123 H ARG 18 HN ARG 18 0.488 2.299 -2.249 124 HA ARG 18 HA ARG 18 0.010 4.643 -0.856 125 HB2 ARG 18 HB2 ARG 18 0.190 4.156 -3.375 126 HB3 ARG 18 HB1 ARG 18 -1.523 3.777 -3.299 127 HG2 ARG 18 HG2 ARG 18 -1.775 6.132 -2.263 128 HG3 ARG 18 HG1 ARG 18 -0.161 6.420 -2.915 129 HD2 ARG 18 HD2 ARG 18 -1.774 7.187 -4.516 130 HD3 ARG 18 HD1 ARG 18 -1.006 5.734 -5.151 131 HE ARG 18 HE ARG 18 -3.164 4.670 -4.050 132 HH11 ARG 18 HH11 ARG 18 -2.934 7.572 -6.018 133 HH12 ARG 18 HH12 ARG 18 -4.540 7.410 -6.648 134 HH21 ARG 18 HH21 ARG 18 -5.263 4.482 -4.885 135 HH22 ARG 18 HH22 ARG 18 -5.857 5.662 -6.006 136 H CYS 19 HN CYS 19 -1.847 1.786 -0.774 137 HA CYS 19 HA CYS 19 -3.998 3.124 0.642 138 HB2 CYS 19 HB2 CYS 19 -4.673 1.112 -1.489 139 HB3 CYS 19 HB1 CYS 19 -5.759 2.210 -0.648 140 H CYS 20 HN CYS 20 -2.892 -0.022 -0.526 141 HA CYS 20 HA CYS 20 -4.066 -1.497 1.630 142 HB2 CYS 20 HB2 CYS 20 -3.263 -2.161 -0.875 143 HB3 CYS 20 HB1 CYS 20 -1.911 -2.769 0.064 Start of MODEL 20 1 H1 TYR 1 HT1 TYR 1 7.400 2.546 -2.923 2 H2 TYR 1 HT2 TYR 1 7.335 0.856 -2.893 3 H3 TYR 1 HT3 TYR 1 7.639 1.715 -1.468 4 HA TYR 1 HA TYR 1 5.144 1.843 -3.048 5 HB2 TYR 1 HB2 TYR 1 4.229 0.699 -0.867 6 HB3 TYR 1 HB1 TYR 1 5.012 -0.286 -2.087 7 HD1 TYR 1 HD1 TYR 1 5.196 0.995 1.324 8 HD2 TYR 1 HD2 TYR 1 7.272 -1.192 -1.678 9 HE1 TYR 1 HE1 TYR 1 6.748 0.142 3.026 10 HE2 TYR 1 HE2 TYR 1 8.828 -2.052 0.018 11 HH TYR 1 HH TYR 1 9.652 -1.427 2.249 12 H GLU 2 HN GLU 2 4.429 2.011 0.176 13 HA GLU 2 HA GLU 2 4.854 4.900 0.420 14 HB2 GLU 2 HB2 GLU 2 2.523 4.103 -0.587 15 HB3 GLU 2 HB1 GLU 2 2.147 3.807 1.101 16 HG2 GLU 2 HG2 GLU 2 1.309 5.937 0.672 17 HG3 GLU 2 HG1 GLU 2 2.831 6.229 1.510 18 H THR 3 HN THR 3 3.236 5.205 2.751 19 HA THR 3 HA THR 3 4.345 3.327 4.701 20 HB THR 3 HB THR 3 4.737 5.426 6.190 21 HG1 THR 3 HG1 THR 3 5.441 6.708 3.802 22 HG21 THR 3 HG21 THR 3 6.528 3.909 5.465 23 HG22 THR 3 HG22 THR 3 7.071 5.585 5.391 24 HG23 THR 3 HG23 THR 3 6.618 4.740 3.912 25 H GLY 4 HN GLY 4 2.118 5.900 3.961 26 HA2 GLY 4 HA2 GLY 4 0.597 5.840 6.355 27 HA3 GLY 4 HA1 GLY 4 0.091 6.548 4.833 28 H CYS 5 HN CYS 5 -0.139 4.474 3.120 29 HA CYS 5 HA CYS 5 -1.592 2.894 2.398 30 HB2 CYS 5 HB2 CYS 5 -1.131 1.671 5.132 31 HB3 CYS 5 HB1 CYS 5 -1.781 0.837 3.725 32 H LYS 6 HN LYS 6 -3.475 3.881 2.062 33 HA LYS 6 HA LYS 6 -5.275 4.614 4.169 34 HB2 LYS 6 HB2 LYS 6 -4.865 5.700 1.807 35 HB3 LYS 6 HB1 LYS 6 -6.111 4.568 1.303 36 HG2 LYS 6 HG2 LYS 6 -7.649 5.527 2.947 37 HG3 LYS 6 HG1 LYS 6 -6.396 6.662 3.453 38 HD2 LYS 6 HD2 LYS 6 -6.349 7.611 1.194 39 HD3 LYS 6 HD1 LYS 6 -7.601 6.474 0.691 40 HE2 LYS 6 HE2 LYS 6 -8.717 8.505 1.133 41 HE3 LYS 6 HE1 LYS 6 -9.046 7.466 2.518 42 HZ1 LYS 6 HZ1 LYS 6 -8.486 9.710 3.210 43 HZ2 LYS 6 HZ2 LYS 6 -6.997 9.616 2.415 44 HZ3 LYS 6 HZ3 LYS 6 -7.309 8.620 3.745 45 H ARG 7 HN ARG 7 -6.327 2.852 1.303 46 HA ARG 7 HA ARG 7 -7.757 0.965 3.048 47 HB2 ARG 7 HB2 ARG 7 -9.266 2.443 1.807 48 HB3 ARG 7 HB1 ARG 7 -8.520 1.965 0.291 49 HG2 ARG 7 HG2 ARG 7 -9.486 -0.147 0.333 50 HG3 ARG 7 HG1 ARG 7 -9.816 -0.066 2.065 51 HD2 ARG 7 HD2 ARG 7 -11.501 1.673 1.653 52 HD3 ARG 7 HD1 ARG 7 -11.168 1.580 -0.076 53 HE ARG 7 HE ARG 7 -11.838 -0.981 0.804 54 HH11 ARG 7 HH11 ARG 7 -13.416 2.136 0.439 55 HH12 ARG 7 HH12 ARG 7 -14.985 1.442 0.197 56 HH21 ARG 7 HH21 ARG 7 -13.901 -1.866 0.486 57 HH22 ARG 7 HH22 ARG 7 -15.257 -0.822 0.223 58 H CYS 8 HN CYS 8 -7.725 0.326 -0.345 59 HA CYS 8 HA CYS 8 -5.442 -1.456 -0.149 60 HB2 CYS 8 HB2 CYS 8 -7.483 -2.793 0.468 61 HB3 CYS 8 HB1 CYS 8 -8.075 -2.515 -1.168 62 H CYS 9 HN CYS 9 -4.178 -0.957 -1.744 63 HA CYS 9 HA CYS 9 -5.344 -0.330 -4.358 64 HB2 CYS 9 HB2 CYS 9 -3.198 1.037 -2.807 65 HB3 CYS 9 HB1 CYS 9 -3.066 1.009 -4.562 66 H TYR 10 HN TYR 10 -2.398 -1.473 -2.783 67 HA TYR 10 HA TYR 10 -2.099 -3.678 -4.584 68 HB2 TYR 10 HB2 TYR 10 -0.892 -1.208 -5.352 69 HB3 TYR 10 HB1 TYR 10 0.392 -2.326 -4.905 70 HD1 TYR 10 HD1 TYR 10 -2.279 -1.605 -7.277 71 HD2 TYR 10 HD2 TYR 10 0.743 -4.381 -6.161 72 HE1 TYR 10 HE1 TYR 10 -2.477 -2.694 -9.477 73 HE2 TYR 10 HE2 TYR 10 0.556 -5.480 -8.358 74 HH TYR 10 HH TYR 10 -1.097 -5.718 -10.162 75 H LEU 11 HN LEU 11 0.106 -4.784 -4.224 76 HA LEU 11 HA LEU 11 1.045 -4.409 -1.463 77 HB2 LEU 11 HB2 LEU 11 0.547 -7.076 -2.793 78 HB3 LEU 11 HB1 LEU 11 1.125 -6.825 -1.158 79 HG LEU 11 HG LEU 11 -1.242 -5.415 -1.189 80 HD11 LEU 11 HD11 LEU 11 -1.805 -6.305 -3.375 81 HD12 LEU 11 HD12 LEU 11 -2.907 -6.910 -2.138 82 HD13 LEU 11 HD13 LEU 11 -1.627 -7.949 -2.764 83 HD21 LEU 11 HD21 LEU 11 -0.669 -6.709 0.676 84 HD22 LEU 11 HD22 LEU 11 -0.532 -8.186 -0.276 85 HD23 LEU 11 HD23 LEU 11 -2.117 -7.478 0.033 86 H ASP 12 HN ASP 12 3.086 -3.746 -1.632 87 HA ASP 12 HA ASP 12 4.691 -4.563 -3.917 88 HB2 ASP 12 HB2 ASP 12 5.144 -2.576 -1.706 89 HB3 ASP 12 HB1 ASP 12 6.408 -2.998 -2.857 90 H GLU 13 HN GLU 13 5.309 -4.596 -0.370 91 HA GLU 13 HA GLU 13 7.023 -6.932 -0.825 92 HB2 GLU 13 HB2 GLU 13 7.944 -4.521 -0.027 93 HB3 GLU 13 HB1 GLU 13 7.606 -5.261 1.533 94 HG2 GLU 13 HG2 GLU 13 9.003 -7.175 0.899 95 HG3 GLU 13 HG1 GLU 13 9.377 -6.372 -0.625 96 H TYR 14 HN TYR 14 5.820 -5.354 2.088 97 HA TYR 14 HA TYR 14 5.029 -7.913 3.206 98 HB2 TYR 14 HB2 TYR 14 5.088 -5.123 4.357 99 HB3 TYR 14 HB1 TYR 14 4.493 -6.519 5.246 100 HD1 TYR 14 HD1 TYR 14 7.459 -4.850 3.902 101 HD2 TYR 14 HD2 TYR 14 6.024 -8.229 6.050 102 HE1 TYR 14 HE1 TYR 14 9.753 -5.350 4.634 103 HE2 TYR 14 HE2 TYR 14 8.314 -8.739 6.790 104 HH TYR 14 HH TYR 14 10.622 -8.297 6.071 105 H GLY 15 HN GLY 15 3.589 -5.229 1.636 106 HA2 GLY 15 HA2 GLY 15 1.362 -5.659 0.687 107 HA3 GLY 15 HA1 GLY 15 0.905 -6.300 2.257 108 H CYS 16 HN CYS 16 2.736 -3.356 1.516 109 HA CYS 16 HA CYS 16 0.465 -1.724 2.362 110 HB2 CYS 16 HB2 CYS 16 2.373 -2.336 4.197 111 HB3 CYS 16 HB1 CYS 16 3.053 -0.866 3.505 112 H ILE 17 HN ILE 17 0.127 -0.339 0.839 113 HA ILE 17 HA ILE 17 2.332 1.231 -0.276 114 HB ILE 17 HB ILE 17 1.648 -0.657 -1.838 115 HG12 ILE 17 HG12 ILE 17 1.437 2.206 -2.817 116 HG13 ILE 17 HG11 ILE 17 2.908 1.271 -2.629 117 HG21 ILE 17 HG21 ILE 17 -0.387 -0.368 -3.190 118 HG22 ILE 17 HG22 ILE 17 -0.871 0.976 -2.157 119 HG23 ILE 17 HG23 ILE 17 -0.751 -0.650 -1.487 120 HD11 ILE 17 HD11 ILE 17 2.182 -0.230 -4.422 121 HD12 ILE 17 HD12 ILE 17 2.261 1.446 -4.966 122 HD13 ILE 17 HD13 ILE 17 0.700 0.710 -4.604 123 H ARG 18 HN ARG 18 0.364 2.607 -2.086 124 HA ARG 18 HA ARG 18 -0.318 4.828 -0.597 125 HB2 ARG 18 HB2 ARG 18 -0.226 4.470 -3.140 126 HB3 ARG 18 HB1 ARG 18 -1.880 3.897 -2.999 127 HG2 ARG 18 HG2 ARG 18 -2.357 6.154 -1.862 128 HG3 ARG 18 HG1 ARG 18 -0.804 6.657 -2.532 129 HD2 ARG 18 HD2 ARG 18 -2.523 7.315 -4.063 130 HD3 ARG 18 HD1 ARG 18 -1.631 5.976 -4.783 131 HE ARG 18 HE ARG 18 -3.641 4.655 -3.678 132 HH11 ARG 18 HH11 ARG 18 -3.752 7.639 -5.529 133 HH12 ARG 18 HH12 ARG 18 -5.349 7.342 -6.129 134 HH21 ARG 18 HH21 ARG 18 -5.731 4.289 -4.474 135 HH22 ARG 18 HH22 ARG 18 -6.468 5.447 -5.531 136 H CYS 19 HN CYS 19 -1.943 1.814 -0.786 137 HA CYS 19 HA CYS 19 -4.043 2.742 0.995 138 HB2 CYS 19 HB2 CYS 19 -4.802 0.988 -1.320 139 HB3 CYS 19 HB1 CYS 19 -5.843 1.956 -0.285 140 H CYS 20 HN CYS 20 -3.819 -0.330 -0.728 141 HA CYS 20 HA CYS 20 -4.048 -1.941 1.536 142 HB2 CYS 20 HB2 CYS 20 -3.919 -2.408 -1.228 143 HB3 CYS 20 HB1 CYS 20 -2.586 -3.326 -0.546
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