NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
10819 | 1qfd | 4404 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H CYS 1 1H CYS 1 4.009 5.325 6.868 2 2H CYS 1 2H CYS 1 2.724 5.683 7.893 3 H CYS 1 H CYS 1 3.112 6.219 5.393 4 HA CYS 1 HA CYS 1 2.873 3.225 6.236 5 1HB CYS 1 1HB CYS 1 0.725 2.792 7.114 6 2HB CYS 1 2HB CYS 1 1.612 3.415 8.503 7 H ILE 2 H ILE 2 0.805 3.365 4.705 8 HA ILE 2 HA ILE 2 1.024 5.945 3.213 9 HB ILE 2 HB ILE 2 0.275 3.096 2.559 10 1HG1 ILE 2 1HG1 ILE 2 2.019 4.571 0.741 11 2HG1 ILE 2 2HG1 ILE 2 2.630 4.588 2.395 12 1HG2 ILE 2 1HG2 ILE 2 -0.383 5.600 1.017 13 2HG2 ILE 2 2HG2 ILE 2 -0.090 4.079 0.176 14 3HG2 ILE 2 3HG2 ILE 2 -1.408 4.201 1.342 15 1HD1 ILE 2 1HD1 ILE 2 1.728 2.073 0.972 16 2HD1 ILE 2 2HD1 ILE 2 3.406 2.613 1.031 17 3HD1 ILE 2 3HD1 ILE 2 2.566 2.180 2.519 18 HA PRO 3 HA PRO 3 -3.082 6.951 4.545 19 1HB PRO 3 1HB PRO 3 -3.666 8.820 2.624 20 2HB PRO 3 2HB PRO 3 -2.600 9.151 4.003 21 1HG PRO 3 1HG PRO 3 -1.897 8.479 1.188 22 2HG PRO 3 2HG PRO 3 -1.150 9.648 2.288 23 1HD PRO 3 1HD PRO 3 -0.076 7.211 1.775 24 2HD PRO 3 2HD PRO 3 0.131 8.048 3.330 25 H LYS 4 H LYS 4 -5.094 6.103 4.042 26 HA LYS 4 HA LYS 4 -5.560 4.092 2.196 27 1HB LYS 4 1HB LYS 4 -6.955 5.472 4.116 28 2HB LYS 4 2HB LYS 4 -7.834 5.917 2.652 29 1HG LYS 4 1HG LYS 4 -7.746 3.382 2.104 30 2HG LYS 4 2HG LYS 4 -7.377 3.186 3.817 31 1HD LYS 4 1HD LYS 4 -9.425 4.493 4.374 32 2HD LYS 4 2HD LYS 4 -9.813 4.569 2.656 33 1HE LYS 4 1HE LYS 4 -9.275 1.828 3.315 34 2HE LYS 4 2HE LYS 4 -10.444 2.470 4.485 35 1HZ LYS 4 1HZ LYS 4 -11.293 3.592 2.223 36 2HZ LYS 4 2HZ LYS 4 -10.711 2.134 1.622 37 H TRP 5 H TRP 5 -6.584 3.991 0.136 38 HA TRP 5 HA TRP 5 -7.071 4.620 -2.065 39 1HB TRP 5 1HB TRP 5 -7.691 7.029 -0.405 40 2HB TRP 5 2HB TRP 5 -7.758 7.169 -2.163 41 HD1 TRP 5 HD1 TRP 5 -9.245 5.092 0.709 42 HE1 TRP 5 HE1 TRP 5 -11.501 4.117 -0.072 43 HE3 TRP 5 HE3 TRP 5 -9.192 6.581 -4.159 44 HZ2 TRP 5 HZ2 TRP 5 -13.074 3.983 -2.462 45 HZ3 TRP 5 HZ3 TRP 5 -11.075 6.020 -5.673 46 HH2 TRP 5 HH2 TRP 5 -13.013 4.722 -4.831 47 H ASN 6 H ASN 6 -4.222 4.900 -0.991 48 HA ASN 6 HA ASN 6 -3.228 6.747 -3.144 49 1HB ASN 6 1HB ASN 6 -2.427 6.378 -0.268 50 2HB ASN 6 2HB ASN 6 -1.232 6.928 -1.435 51 1HD2 ASN 6 2HD2 ASN 6 -4.255 7.821 0.195 52 2HD2 ASN 6 1HD2 ASN 6 -4.232 9.449 -0.283 53 H ARG 7 H ARG 7 -0.877 6.128 -3.741 54 HA ARG 7 HA ARG 7 -0.784 3.346 -4.510 55 1HB ARG 7 1HB ARG 7 1.344 3.986 -5.498 56 2HB ARG 7 2HB ARG 7 0.209 5.313 -5.724 57 1HG ARG 7 1HG ARG 7 1.174 6.334 -3.592 58 2HG ARG 7 2HG ARG 7 2.450 5.120 -3.697 59 1HD ARG 7 1HD ARG 7 2.391 6.134 -6.274 60 2HD ARG 7 2HD ARG 7 2.087 7.572 -5.280 61 1HH1 ARG 7 1HH2 ARG 7 4.738 7.812 -6.812 62 2HH1 ARG 7 2HH2 ARG 7 5.484 9.094 -5.918 63 1HH2 ARG 7 1HH1 ARG 7 4.593 7.809 -2.816 64 2HH2 ARG 7 2HH1 ARG 7 5.402 9.092 -3.652 65 H CYS 8 H CYS 8 0.240 1.617 -3.526 66 HA CYS 8 HA CYS 8 1.870 2.175 -1.070 67 1HB CYS 8 1HB CYS 8 0.726 0.181 -0.080 68 2HB CYS 8 2HB CYS 8 -0.393 1.490 -0.454 69 H GLY 9 H GLY 9 3.658 0.821 -0.778 70 1HA GLY 9 1HA GLY 9 4.038 -1.568 -2.438 71 2HA GLY 9 2HA GLY 9 5.113 -0.228 -2.841 72 HA PRO 10 HA PRO 10 6.109 -1.567 1.686 73 1HB PRO 10 1HB PRO 10 5.241 -4.063 2.405 74 2HB PRO 10 2HB PRO 10 4.296 -2.587 2.684 75 1HG PRO 10 1HG PRO 10 4.017 -4.635 0.547 76 2HG PRO 10 2HG PRO 10 2.765 -3.751 1.432 77 1HD PRO 10 1HD PRO 10 3.552 -3.123 -1.105 78 2HD PRO 10 2HD PRO 10 2.874 -1.943 0.037 79 H LYS 11 H LYS 11 6.011 -3.929 -0.945 80 HA LYS 11 HA LYS 11 8.356 -5.423 -0.044 81 1HB LYS 11 1HB LYS 11 6.409 -6.226 -1.478 82 2HB LYS 11 2HB LYS 11 7.091 -5.274 -2.795 83 1HG LYS 11 1HG LYS 11 7.866 -7.572 -2.999 84 2HG LYS 11 2HG LYS 11 9.229 -6.547 -2.551 85 1HD LYS 11 1HD LYS 11 9.402 -7.455 -0.447 86 2HD LYS 11 2HD LYS 11 7.667 -7.744 -0.315 87 1HE LYS 11 1HE LYS 11 8.528 -9.404 -2.430 88 2HE LYS 11 2HE LYS 11 9.744 -9.588 -1.151 89 1HZ LYS 11 1HZ LYS 11 7.034 -9.424 -0.197 90 2HZ LYS 11 2HZ LYS 11 7.332 -10.786 -1.137 91 H MET 12 H MET 12 7.820 -2.517 -1.935 92 HA MET 12 HA MET 12 10.621 -2.581 -2.973 93 1HB MET 12 1HB MET 12 8.462 -2.173 -4.358 94 2HB MET 12 2HB MET 12 8.466 -0.569 -3.622 95 1HG MET 12 1HG MET 12 11.119 -1.103 -4.514 96 2HG MET 12 2HG MET 12 10.025 -1.513 -5.835 97 1HE MET 12 1HE MET 12 8.349 -0.417 -6.626 98 2HE MET 12 2HE MET 12 7.730 1.183 -6.224 99 3HE MET 12 3HE MET 12 8.962 1.012 -7.471 100 H ASP 13 H ASP 13 8.484 -0.753 -0.796 101 HA ASP 13 HA ASP 13 10.742 1.148 -0.244 102 1HB ASP 13 1HB ASP 13 7.751 1.382 0.229 103 2HB ASP 13 2HB ASP 13 8.938 2.650 0.527 104 H GLY 14 H GLY 14 8.799 -1.383 1.137 105 1HA GLY 14 1HA GLY 14 9.168 -2.468 3.213 106 2HA GLY 14 2HA GLY 14 10.270 -1.169 3.670 107 H VAL 15 H VAL 15 7.339 0.084 2.466 108 HA VAL 15 HA VAL 15 6.197 0.295 5.233 109 HB VAL 15 HB VAL 15 6.682 2.427 3.127 110 1HG1 VAL 15 1HG1 VAL 15 4.948 2.477 5.610 111 2HG1 VAL 15 2HG1 VAL 15 5.576 3.948 4.866 112 3HG1 VAL 15 3HG1 VAL 15 4.488 2.897 3.960 113 1HG2 VAL 15 1HG2 VAL 15 7.996 1.577 5.584 114 2HG2 VAL 15 2HG2 VAL 15 8.544 2.737 4.374 115 3HG2 VAL 15 3HG2 VAL 15 7.491 3.264 5.687 116 HA PRO 16 HA PRO 16 2.794 -1.144 2.588 117 1HB PRO 16 1HB PRO 16 1.403 -2.329 4.615 118 2HB PRO 16 2HB PRO 16 2.784 -3.115 3.826 119 1HG PRO 16 1HG PRO 16 2.638 -1.725 6.448 120 2HG PRO 16 2HG PRO 16 3.574 -3.150 5.976 121 1HD PRO 16 1HD PRO 16 4.599 -0.606 6.220 122 2HD PRO 16 2HD PRO 16 5.327 -1.900 5.244 123 H CYS 17 H CYS 17 0.243 -0.902 3.128 124 HA CYS 17 HA CYS 17 -0.290 1.883 3.661 125 1HB CYS 17 1HB CYS 17 -1.597 -0.056 2.381 126 2HB CYS 17 2HB CYS 17 -2.379 -0.246 3.951 127 H CYS 18 H CYS 18 -1.729 2.625 5.509 128 HA CYS 18 HA CYS 18 -0.594 2.029 8.037 129 1HB CYS 18 1HB CYS 18 -2.644 3.669 6.923 130 2HB CYS 18 2HB CYS 18 -3.308 2.883 8.357 131 H GLU 19 H GLU 19 -1.569 0.932 9.903 132 HA GLU 19 HA GLU 19 -2.159 -1.763 9.542 133 1HB GLU 19 1HB GLU 19 -1.931 0.088 11.644 134 2HB GLU 19 2HB GLU 19 -3.486 -0.704 11.893 135 1HG GLU 19 1HG GLU 19 -0.861 -2.158 11.438 136 2HG GLU 19 2HG GLU 19 -1.617 -1.915 13.012 137 HA PRO 20 HA PRO 20 -6.875 -0.959 9.926 138 1HB PRO 20 1HB PRO 20 -7.778 1.551 9.290 139 2HB PRO 20 2HB PRO 20 -7.382 1.045 10.945 140 1HG PRO 20 1HG PRO 20 -5.750 2.617 9.007 141 2HG PRO 20 2HG PRO 20 -5.973 2.859 10.747 142 1HD PRO 20 1HD PRO 20 -3.765 1.699 9.718 143 2HD PRO 20 2HD PRO 20 -4.425 1.249 11.305 144 H TYR 21 H TYR 21 -4.707 -0.193 7.469 145 HA TYR 21 HA TYR 21 -6.818 -0.598 5.369 146 1HB TYR 21 1HB TYR 21 -4.310 1.097 5.133 147 2HB TYR 21 2HB TYR 21 -5.632 0.990 3.973 148 HD1 TYR 21 HD1 TYR 21 -8.053 1.222 5.498 149 HD2 TYR 21 HD2 TYR 21 -4.291 3.200 6.118 150 HE1 TYR 21 HE1 TYR 21 -9.217 3.071 6.666 151 HE2 TYR 21 HE2 TYR 21 -5.456 5.050 7.286 152 HH TYR 21 HH TYR 21 -8.653 5.629 7.077 153 H THR 22 H THR 22 -5.714 -1.391 3.256 154 HA THR 22 HA THR 22 -3.313 -3.087 3.820 155 HB THR 22 HB THR 22 -4.565 -4.920 2.564 156 HG1 THR 22 HG1 THR 22 -6.867 -3.442 3.257 157 1HG2 THR 22 1HG2 THR 22 -4.329 -4.603 5.139 158 2HG2 THR 22 2HG2 THR 22 -6.034 -4.155 5.076 159 3HG2 THR 22 3HG2 THR 22 -5.522 -5.754 4.536 160 H CYS 23 H CYS 23 -2.126 -3.666 1.896 161 HA CYS 23 HA CYS 23 -2.560 -1.785 -0.379 162 1HB CYS 23 1HB CYS 23 -0.374 -1.872 0.794 163 2HB CYS 23 2HB CYS 23 -0.235 -3.584 0.393 164 H THR 24 H THR 24 -2.978 -2.556 -2.458 165 HA THR 24 HA THR 24 -3.899 -5.332 -2.706 166 HB THR 24 HB THR 24 -4.430 -4.466 -5.059 167 HG1 THR 24 HG1 THR 24 -3.321 -2.746 -5.513 168 1HG2 THR 24 1HG2 THR 24 -5.518 -3.596 -2.468 169 2HG2 THR 24 2HG2 THR 24 -5.936 -2.530 -3.810 170 3HG2 THR 24 3HG2 THR 24 -6.353 -4.242 -3.880 171 H SER 25 H SER 25 -1.427 -3.323 -4.341 172 HA SER 25 HA SER 25 -0.080 -5.857 -5.221 173 1HB SER 25 1HB SER 25 -1.068 -4.064 -6.846 174 2HB SER 25 2HB SER 25 0.348 -3.116 -6.397 175 HG SER 25 HG SER 25 1.653 -4.686 -7.221 176 H ASP 26 H ASP 26 1.876 -6.261 -4.282 177 HA ASP 26 HA ASP 26 3.095 -4.539 -2.329 178 1HB ASP 26 1HB ASP 26 3.771 -7.049 -3.820 179 2HB ASP 26 2HB ASP 26 5.050 -6.252 -2.906 180 H TYR 27 H TYR 27 3.467 -4.787 -5.817 181 HA TYR 27 HA TYR 27 5.980 -3.231 -5.843 182 1HB TYR 27 1HB TYR 27 4.155 -4.339 -8.001 183 2HB TYR 27 2HB TYR 27 5.705 -3.563 -8.314 184 HD1 TYR 27 HD1 TYR 27 7.823 -4.622 -7.562 185 HD2 TYR 27 HD2 TYR 27 4.025 -6.577 -7.089 186 HE1 TYR 27 HE1 TYR 27 8.981 -6.778 -7.162 187 HE2 TYR 27 HE2 TYR 27 5.184 -8.732 -6.687 188 HH TYR 27 HH TYR 27 7.694 -9.640 -7.461 189 H TYR 28 H TYR 28 2.763 -2.838 -7.367 190 HA TYR 28 HA TYR 28 2.697 0.022 -6.627 191 1HB TYR 28 1HB TYR 28 3.969 -0.716 -8.940 192 2HB TYR 28 2HB TYR 28 2.326 -0.462 -9.525 193 HD1 TYR 28 HD1 TYR 28 1.242 1.713 -8.038 194 HD2 TYR 28 HD2 TYR 28 5.294 1.158 -9.359 195 HE1 TYR 28 HE1 TYR 28 1.599 4.164 -7.973 196 HE2 TYR 28 HE2 TYR 28 5.649 3.611 -9.294 197 HH TYR 28 HH TYR 28 4.214 5.633 -7.732 198 H GLY 29 H GLY 29 0.594 0.306 -5.980 199 1HA GLY 29 1HA GLY 29 -1.626 -0.449 -7.714 200 2HA GLY 29 2HA GLY 29 -1.549 -1.425 -6.246 201 H ASN 30 H ASN 30 -3.248 -0.623 -5.055 202 HA ASN 30 HA ASN 30 -3.046 2.211 -4.154 203 1HB ASN 30 1HB ASN 30 -5.120 0.967 -5.858 204 2HB ASN 30 2HB ASN 30 -5.750 1.900 -4.500 205 1HD2 ASN 30 2HD2 ASN 30 -4.112 2.135 -7.591 206 2HD2 ASN 30 1HD2 ASN 30 -4.018 3.829 -7.630 207 H CYS 31 H CYS 31 -4.725 2.544 -2.301 208 HA CYS 31 HA CYS 31 -4.883 0.030 -0.663 209 1HB CYS 31 1HB CYS 31 -3.186 1.801 -0.027 210 2HB CYS 31 2HB CYS 31 -4.539 2.891 0.283 211 H SER 32 H SER 32 -6.849 -0.383 0.355 212 HA SER 32 HA SER 32 -8.902 1.596 0.833 213 1HB SER 32 1HB SER 32 -10.468 0.830 -0.944 214 2HB SER 32 2HB SER 32 -9.001 1.522 -1.626 215 HG SER 32 HG SER 32 -9.031 -0.331 -2.670 Start of MODEL 2 1 1H CYS 1 1H CYS 1 3.909 4.603 8.310 2 2H CYS 1 2H CYS 1 3.170 5.936 7.599 3 H CYS 1 H CYS 1 2.422 6.386 5.129 4 HA CYS 1 HA CYS 1 2.928 3.354 6.756 5 1HB CYS 1 1HB CYS 1 0.599 2.807 7.332 6 2HB CYS 1 2HB CYS 1 1.605 2.927 8.773 7 H ILE 2 H ILE 2 1.017 3.258 5.068 8 HA ILE 2 HA ILE 2 0.972 5.901 3.689 9 HB ILE 2 HB ILE 2 0.470 3.030 2.856 10 1HG1 ILE 2 1HG1 ILE 2 2.509 4.722 1.534 11 2HG1 ILE 2 2HG1 ILE 2 2.832 4.351 3.228 12 1HG2 ILE 2 1HG2 ILE 2 -0.590 5.367 1.654 13 2HG2 ILE 2 2HG2 ILE 2 0.756 4.854 0.639 14 3HG2 ILE 2 3HG2 ILE 2 -0.564 3.738 0.985 15 1HD1 ILE 2 1HD1 ILE 2 2.150 2.282 1.118 16 2HD1 ILE 2 2HD1 ILE 2 3.785 2.648 1.670 17 3HD1 ILE 2 3HD1 ILE 2 2.608 1.965 2.791 18 HA PRO 3 HA PRO 3 -3.299 6.357 4.771 19 1HB PRO 3 1HB PRO 3 -3.953 8.259 2.906 20 2HB PRO 3 2HB PRO 3 -3.037 8.625 4.381 21 1HG PRO 3 1HG PRO 3 -2.056 8.201 1.601 22 2HG PRO 3 2HG PRO 3 -1.533 9.381 2.813 23 1HD PRO 3 1HD PRO 3 -0.142 7.118 2.274 24 2HD PRO 3 2HD PRO 3 -0.161 7.878 3.881 25 H LYS 4 H LYS 4 -5.335 5.649 3.912 26 HA LYS 4 HA LYS 4 -5.271 3.637 1.898 27 1HB LYS 4 1HB LYS 4 -7.645 3.559 2.257 28 2HB LYS 4 2HB LYS 4 -6.918 3.991 3.803 29 1HG LYS 4 1HG LYS 4 -7.367 6.385 3.327 30 2HG LYS 4 2HG LYS 4 -8.139 5.923 1.811 31 1HD LYS 4 1HD LYS 4 -9.473 4.309 3.543 32 2HD LYS 4 2HD LYS 4 -9.145 5.692 4.587 33 1HE LYS 4 1HE LYS 4 -10.750 6.909 3.551 34 2HE LYS 4 2HE LYS 4 -10.013 6.599 1.967 35 1HZ LYS 4 1HZ LYS 4 -12.305 5.625 2.358 36 2HZ LYS 4 2HZ LYS 4 -11.132 4.572 1.773 37 H TRP 5 H TRP 5 -6.527 3.682 -0.157 38 HA TRP 5 HA TRP 5 -6.907 4.524 -2.301 39 1HB TRP 5 1HB TRP 5 -7.727 6.710 -0.416 40 2HB TRP 5 2HB TRP 5 -7.836 6.965 -2.159 41 HD1 TRP 5 HD1 TRP 5 -9.098 4.620 0.587 42 HE1 TRP 5 HE1 TRP 5 -11.270 3.490 -0.219 43 HE3 TRP 5 HE3 TRP 5 -9.236 6.340 -4.207 44 HZ2 TRP 5 HZ2 TRP 5 -12.852 3.333 -2.600 45 HZ3 TRP 5 HZ3 TRP 5 -11.079 5.681 -5.729 46 HH2 TRP 5 HH2 TRP 5 -12.884 4.178 -4.930 47 H ASN 6 H ASN 6 -4.144 4.819 -1.139 48 HA ASN 6 HA ASN 6 -3.220 7.068 -2.898 49 1HB ASN 6 1HB ASN 6 -2.659 6.355 -0.060 50 2HB ASN 6 2HB ASN 6 -1.291 6.928 -1.009 51 1HD2 ASN 6 2HD2 ASN 6 -4.446 7.866 0.315 52 2HD2 ASN 6 1HD2 ASN 6 -4.276 9.527 0.003 53 H ARG 7 H ARG 7 -0.812 6.733 -3.455 54 HA ARG 7 HA ARG 7 -0.434 4.207 -4.766 55 1HB ARG 7 1HB ARG 7 1.359 6.538 -4.043 56 2HB ARG 7 2HB ARG 7 1.933 5.175 -5.005 57 1HG ARG 7 1HG ARG 7 1.024 6.098 -6.842 58 2HG ARG 7 2HG ARG 7 -0.571 5.996 -6.096 59 1HD ARG 7 1HD ARG 7 -0.613 8.228 -5.663 60 2HD ARG 7 2HD ARG 7 1.043 8.211 -5.026 61 1HH1 ARG 7 1HH1 ARG 7 -1.115 9.130 -8.357 62 2HH1 ARG 7 2HH1 ARG 7 -0.711 10.813 -8.426 63 1HH2 ARG 7 2HH2 ARG 7 2.292 10.433 -6.722 64 2HH2 ARG 7 1HH2 ARG 7 1.223 11.553 -7.498 65 H CYS 8 H CYS 8 0.414 2.306 -3.975 66 HA CYS 8 HA CYS 8 1.773 2.391 -1.296 67 1HB CYS 8 1HB CYS 8 -0.538 1.377 -1.468 68 2HB CYS 8 2HB CYS 8 0.152 0.146 -2.529 69 H GLY 9 H GLY 9 3.458 0.781 -0.972 70 1HA GLY 9 1HA GLY 9 4.421 -0.960 -3.042 71 2HA GLY 9 2HA GLY 9 5.358 0.535 -3.041 72 HA PRO 10 HA PRO 10 6.010 -1.405 1.311 73 1HB PRO 10 1HB PRO 10 5.080 -3.953 1.690 74 2HB PRO 10 2HB PRO 10 4.118 -2.504 2.046 75 1HG PRO 10 1HG PRO 10 4.015 -4.310 -0.318 76 2HG PRO 10 2HG PRO 10 2.694 -3.521 0.559 77 1HD PRO 10 1HD PRO 10 3.664 -2.616 -1.819 78 2HD PRO 10 2HD PRO 10 2.919 -1.561 -0.601 79 H LYS 11 H LYS 11 6.090 -3.524 -1.533 80 HA LYS 11 HA LYS 11 8.395 -5.075 -0.618 81 1HB LYS 11 1HB LYS 11 6.438 -5.580 -2.314 82 2HB LYS 11 2HB LYS 11 7.510 -4.802 -3.477 83 1HG LYS 11 1HG LYS 11 9.190 -6.426 -3.206 84 2HG LYS 11 2HG LYS 11 8.541 -6.972 -1.659 85 1HD LYS 11 1HD LYS 11 6.774 -8.148 -2.671 86 2HD LYS 11 2HD LYS 11 6.915 -7.245 -4.180 87 1HE LYS 11 1HE LYS 11 9.263 -8.307 -4.393 88 2HE LYS 11 2HE LYS 11 8.716 -9.440 -3.141 89 1HZ LYS 11 1HZ LYS 11 6.616 -9.191 -4.890 90 2HZ LYS 11 2HZ LYS 11 7.970 -9.323 -5.878 91 H MET 12 H MET 12 7.971 -1.973 -2.113 92 HA MET 12 HA MET 12 10.783 -1.961 -3.131 93 1HB MET 12 1HB MET 12 8.223 -0.541 -3.729 94 2HB MET 12 2HB MET 12 9.724 0.341 -4.012 95 1HG MET 12 1HG MET 12 10.301 -0.961 -5.784 96 2HG MET 12 2HG MET 12 9.740 -2.440 -5.003 97 1HE MET 12 1HE MET 12 9.187 0.669 -6.629 98 2HE MET 12 2HE MET 12 8.345 0.111 -8.072 99 3HE MET 12 3HE MET 12 7.441 0.907 -6.786 100 H ASP 13 H ASP 13 8.607 -0.384 -0.803 101 HA ASP 13 HA ASP 13 10.866 1.386 0.066 102 1HB ASP 13 1HB ASP 13 7.853 1.526 0.411 103 2HB ASP 13 2HB ASP 13 8.983 2.697 1.092 104 H GLY 14 H GLY 14 8.779 -1.241 1.066 105 1HA GLY 14 1HA GLY 14 9.122 -2.643 2.954 106 2HA GLY 14 2HA GLY 14 10.265 -1.461 3.595 107 H VAL 15 H VAL 15 7.251 -0.158 2.502 108 HA VAL 15 HA VAL 15 6.218 -0.122 5.320 109 HB VAL 15 HB VAL 15 6.592 2.137 3.333 110 1HG1 VAL 15 1HG1 VAL 15 4.586 1.802 5.462 111 2HG1 VAL 15 2HG1 VAL 15 5.547 3.271 5.630 112 3HG1 VAL 15 3HG1 VAL 15 4.640 2.975 4.146 113 1HG2 VAL 15 1HG2 VAL 15 7.516 1.662 6.187 114 2HG2 VAL 15 2HG2 VAL 15 8.529 1.636 4.744 115 3HG2 VAL 15 3HG2 VAL 15 7.795 3.147 5.279 116 HA PRO 16 HA PRO 16 2.687 -1.437 2.846 117 1HB PRO 16 1HB PRO 16 1.303 -2.520 4.935 118 2HB PRO 16 2HB PRO 16 2.646 -3.370 4.143 119 1HG PRO 16 1HG PRO 16 2.583 -1.929 6.732 120 2HG PRO 16 2HG PRO 16 3.499 -3.367 6.260 121 1HD PRO 16 1HD PRO 16 4.526 -0.798 6.432 122 2HD PRO 16 2HD PRO 16 5.256 -2.137 5.521 123 H CYS 17 H CYS 17 0.171 -1.069 3.401 124 HA CYS 17 HA CYS 17 -0.240 1.749 3.855 125 1HB CYS 17 1HB CYS 17 -1.635 -0.292 2.720 126 2HB CYS 17 2HB CYS 17 -2.479 -0.163 4.262 127 H CYS 18 H CYS 18 -1.701 2.584 5.644 128 HA CYS 18 HA CYS 18 -0.646 2.120 8.231 129 1HB CYS 18 1HB CYS 18 -3.355 3.130 7.328 130 2HB CYS 18 2HB CYS 18 -2.724 3.318 8.962 131 H GLU 19 H GLU 19 -1.743 1.125 10.129 132 HA GLU 19 HA GLU 19 -2.329 -1.599 9.833 133 1HB GLU 19 1HB GLU 19 -1.710 -0.251 11.899 134 2HB GLU 19 2HB GLU 19 -3.409 0.201 12.012 135 1HG GLU 19 1HG GLU 19 -3.246 -2.640 11.628 136 2HG GLU 19 2HG GLU 19 -2.174 -2.186 12.954 137 HA PRO 20 HA PRO 20 -7.008 -0.695 9.951 138 1HB PRO 20 1HB PRO 20 -7.874 1.824 9.332 139 2HB PRO 20 2HB PRO 20 -7.506 1.302 10.987 140 1HG PRO 20 1HG PRO 20 -5.892 2.952 9.123 141 2HG PRO 20 2HG PRO 20 -6.061 3.068 10.880 142 1HD PRO 20 1HD PRO 20 -3.911 1.943 9.595 143 2HD PRO 20 2HD PRO 20 -4.393 1.568 11.262 144 H TYR 21 H TYR 21 -4.793 -0.226 7.548 145 HA TYR 21 HA TYR 21 -6.876 -0.518 5.423 146 1HB TYR 21 1HB TYR 21 -4.605 1.497 5.500 147 2HB TYR 21 2HB TYR 21 -5.569 1.162 4.062 148 HD1 TYR 21 HD1 TYR 21 -8.229 1.183 4.527 149 HD2 TYR 21 HD2 TYR 21 -5.275 3.269 6.846 150 HE1 TYR 21 HE1 TYR 21 -9.976 2.734 5.357 151 HE2 TYR 21 HE2 TYR 21 -7.021 4.818 7.676 152 HH TYR 21 HH TYR 21 -9.942 4.362 7.848 153 H THR 22 H THR 22 -5.959 -1.407 3.396 154 HA THR 22 HA THR 22 -3.275 -2.703 3.686 155 HB THR 22 HB THR 22 -4.481 -4.756 2.635 156 HG1 THR 22 HG1 THR 22 -6.627 -4.807 2.802 157 1HG2 THR 22 1HG2 THR 22 -3.869 -4.048 5.230 158 2HG2 THR 22 2HG2 THR 22 -5.569 -4.506 5.347 159 3HG2 THR 22 3HG2 THR 22 -4.389 -5.650 4.706 160 H CYS 23 H CYS 23 -2.309 -3.269 1.626 161 HA CYS 23 HA CYS 23 -3.274 -1.569 -0.619 162 1HB CYS 23 1HB CYS 23 -0.701 -3.089 -0.086 163 2HB CYS 23 2HB CYS 23 -0.973 -2.032 -1.472 164 H THR 24 H THR 24 -3.045 -2.557 -2.865 165 HA THR 24 HA THR 24 -4.389 -5.181 -2.932 166 HB THR 24 HB THR 24 -3.559 -3.215 -5.090 167 HG1 THR 24 HG1 THR 24 -6.022 -3.664 -3.753 168 1HG2 THR 24 1HG2 THR 24 -5.044 -5.808 -5.123 169 2HG2 THR 24 2HG2 THR 24 -5.589 -4.525 -6.202 170 3HG2 THR 24 3HG2 THR 24 -3.938 -5.134 -6.319 171 H SER 25 H SER 25 -1.384 -3.757 -4.247 172 HA SER 25 HA SER 25 -0.318 -6.546 -4.585 173 1HB SER 25 1HB SER 25 -0.920 -4.997 -6.610 174 2HB SER 25 2HB SER 25 0.566 -4.152 -6.185 175 HG SER 25 HG SER 25 0.468 -6.178 -7.690 176 H ASP 26 H ASP 26 2.246 -6.327 -4.816 177 HA ASP 26 HA ASP 26 3.187 -4.895 -2.375 178 1HB ASP 26 1HB ASP 26 3.889 -7.318 -3.942 179 2HB ASP 26 2HB ASP 26 5.246 -6.461 -3.216 180 H TYR 27 H TYR 27 3.767 -5.139 -5.872 181 HA TYR 27 HA TYR 27 6.037 -3.268 -5.808 182 1HB TYR 27 1HB TYR 27 4.612 -5.027 -7.717 183 2HB TYR 27 2HB TYR 27 5.281 -3.558 -8.427 184 HD1 TYR 27 HD1 TYR 27 6.369 -6.026 -5.803 185 HD2 TYR 27 HD2 TYR 27 7.385 -3.841 -9.359 186 HE1 TYR 27 HE1 TYR 27 8.629 -7.043 -5.783 187 HE2 TYR 27 HE2 TYR 27 9.644 -4.857 -9.337 188 HH TYR 27 HH TYR 27 11.125 -6.000 -7.054 189 H TYR 28 H TYR 28 2.983 -3.184 -7.660 190 HA TYR 28 HA TYR 28 2.631 -0.317 -6.896 191 1HB TYR 28 1HB TYR 28 3.256 -1.524 -9.522 192 2HB TYR 28 2HB TYR 28 1.923 -0.370 -9.549 193 HD1 TYR 28 HD1 TYR 28 2.347 1.861 -8.170 194 HD2 TYR 28 HD2 TYR 28 5.437 -0.704 -9.696 195 HE1 TYR 28 HE1 TYR 28 3.961 3.738 -8.054 196 HE2 TYR 28 HE2 TYR 28 7.052 1.175 -9.581 197 HH TYR 28 HH TYR 28 6.953 3.583 -7.894 198 H GLY 29 H GLY 29 0.684 -0.463 -5.832 199 1HA GLY 29 1HA GLY 29 -1.624 -1.566 -7.347 200 2HA GLY 29 2HA GLY 29 -1.350 -2.148 -5.705 201 H ASN 30 H ASN 30 -3.243 -1.219 -4.828 202 HA ASN 30 HA ASN 30 -3.051 1.688 -4.298 203 1HB ASN 30 1HB ASN 30 -5.484 1.930 -5.018 204 2HB ASN 30 2HB ASN 30 -4.338 1.675 -6.332 205 1HD2 ASN 30 2HD2 ASN 30 -7.058 0.263 -4.608 206 2HD2 ASN 30 1HD2 ASN 30 -7.212 -1.112 -5.590 207 H CYS 31 H CYS 31 -3.754 2.122 -2.246 208 HA CYS 31 HA CYS 31 -4.778 -0.102 -0.595 209 1HB CYS 31 1HB CYS 31 -2.953 1.641 -0.040 210 2HB CYS 31 2HB CYS 31 -4.279 2.779 0.188 211 H SER 32 H SER 32 -6.692 0.413 0.902 212 HA SER 32 HA SER 32 -8.571 2.489 0.019 213 1HB SER 32 1HB SER 32 -10.312 0.744 -0.594 214 2HB SER 32 2HB SER 32 -8.954 0.845 -1.708 215 HG SER 32 HG SER 32 -9.804 -1.253 -0.330 Start of MODEL 3 1 1H CYS 1 1H CYS 1 3.331 5.741 7.313 2 2H CYS 1 2H CYS 1 2.832 4.860 8.656 3 H CYS 1 H CYS 1 2.574 6.145 4.647 4 HA CYS 1 HA CYS 1 2.889 3.095 6.491 5 1HB CYS 1 1HB CYS 1 0.724 2.656 7.313 6 2HB CYS 1 2HB CYS 1 1.563 3.302 8.723 7 H ILE 2 H ILE 2 0.919 3.211 4.874 8 HA ILE 2 HA ILE 2 1.171 5.781 3.382 9 HB ILE 2 HB ILE 2 0.282 2.962 2.714 10 1HG1 ILE 2 1HG1 ILE 2 2.232 3.859 0.927 11 2HG1 ILE 2 2HG1 ILE 2 2.738 4.530 2.478 12 1HG2 ILE 2 1HG2 ILE 2 -1.064 4.845 1.554 13 2HG2 ILE 2 2HG2 ILE 2 0.439 5.215 0.711 14 3HG2 ILE 2 3HG2 ILE 2 -0.311 3.630 0.525 15 1HD1 ILE 2 1HD1 ILE 2 2.024 1.999 3.215 16 2HD1 ILE 2 2HD1 ILE 2 2.636 1.717 1.586 17 3HD1 ILE 2 3HD1 ILE 2 3.668 2.479 2.795 18 HA PRO 3 HA PRO 3 -2.959 6.882 4.527 19 1HB PRO 3 1HB PRO 3 -3.529 8.602 2.471 20 2HB PRO 3 2HB PRO 3 -2.464 9.027 3.826 21 1HG PRO 3 1HG PRO 3 -1.764 8.177 1.063 22 2HG PRO 3 2HG PRO 3 -0.995 9.389 2.099 23 1HD PRO 3 1HD PRO 3 0.013 6.887 1.710 24 2HD PRO 3 2HD PRO 3 0.289 7.837 3.187 25 H LYS 4 H LYS 4 -4.965 5.972 4.093 26 HA LYS 4 HA LYS 4 -5.309 3.912 2.187 27 1HB LYS 4 1HB LYS 4 -7.569 3.911 2.949 28 2HB LYS 4 2HB LYS 4 -6.621 4.492 4.312 29 1HG LYS 4 1HG LYS 4 -7.606 6.588 2.451 30 2HG LYS 4 2HG LYS 4 -8.839 5.756 3.392 31 1HD LYS 4 1HD LYS 4 -8.280 6.929 5.222 32 2HD LYS 4 2HD LYS 4 -6.615 6.362 5.106 33 1HE LYS 4 1HE LYS 4 -6.378 8.705 4.908 34 2HE LYS 4 2HE LYS 4 -6.416 8.184 3.212 35 1HZ LYS 4 1HZ LYS 4 -8.080 9.739 3.214 36 2HZ LYS 4 2HZ LYS 4 -8.974 8.365 3.588 37 H TRP 5 H TRP 5 -6.682 3.860 0.259 38 HA TRP 5 HA TRP 5 -7.387 4.626 -1.842 39 1HB TRP 5 1HB TRP 5 -7.853 6.955 0.000 40 2HB TRP 5 2HB TRP 5 -8.192 7.104 -1.725 41 HD1 TRP 5 HD1 TRP 5 -9.126 4.920 1.293 42 HE1 TRP 5 HE1 TRP 5 -11.453 3.893 0.869 43 HE3 TRP 5 HE3 TRP 5 -9.926 6.541 -3.464 44 HZ2 TRP 5 HZ2 TRP 5 -13.397 3.775 -1.230 45 HZ3 TRP 5 HZ3 TRP 5 -12.019 5.959 -4.664 46 HH2 TRP 5 HH2 TRP 5 -13.751 4.575 -3.551 47 H ASN 6 H ASN 6 -4.496 4.795 -1.102 48 HA ASN 6 HA ASN 6 -3.681 6.782 -3.184 49 1HB ASN 6 1HB ASN 6 -2.842 6.547 -0.311 50 2HB ASN 6 2HB ASN 6 -1.670 7.118 -1.492 51 1HD2 ASN 6 2HD2 ASN 6 -4.443 8.036 0.389 52 2HD2 ASN 6 1HD2 ASN 6 -4.629 9.592 -0.261 53 H ARG 7 H ARG 7 -1.537 6.268 -4.094 54 HA ARG 7 HA ARG 7 -1.122 3.485 -4.637 55 1HB ARG 7 1HB ARG 7 0.307 6.083 -5.075 56 2HB ARG 7 2HB ARG 7 1.191 4.589 -5.385 57 1HG ARG 7 1HG ARG 7 -1.323 4.181 -6.556 58 2HG ARG 7 2HG ARG 7 -0.899 5.842 -6.969 59 1HD ARG 7 1HD ARG 7 0.984 3.488 -7.357 60 2HD ARG 7 2HD ARG 7 -0.042 4.158 -8.640 61 1HH1 ARG 7 1HH2 ARG 7 2.074 5.444 -10.314 62 2HH1 ARG 7 2HH2 ARG 7 1.394 6.986 -10.714 63 1HH2 ARG 7 1HH1 ARG 7 0.260 7.616 -7.486 64 2HH2 ARG 7 2HH1 ARG 7 0.362 8.221 -9.107 65 H CYS 8 H CYS 8 0.313 1.993 -3.709 66 HA CYS 8 HA CYS 8 2.157 2.924 -1.558 67 1HB CYS 8 1HB CYS 8 1.204 1.333 0.016 68 2HB CYS 8 2HB CYS 8 -0.101 2.337 -0.614 69 H GLY 9 H GLY 9 3.861 1.374 -1.105 70 1HA GLY 9 1HA GLY 9 3.989 -1.103 -2.690 71 2HA GLY 9 2HA GLY 9 5.168 0.129 -3.141 72 HA PRO 10 HA PRO 10 6.112 -1.326 1.367 73 1HB PRO 10 1HB PRO 10 5.215 -3.842 1.965 74 2HB PRO 10 2HB PRO 10 4.292 -2.369 2.317 75 1HG PRO 10 1HG PRO 10 3.969 -4.321 0.101 76 2HG PRO 10 2HG PRO 10 2.741 -3.431 1.014 77 1HD PRO 10 1HD PRO 10 3.572 -2.745 -1.504 78 2HD PRO 10 2HD PRO 10 2.881 -1.597 -0.337 79 H LYS 11 H LYS 11 6.050 -3.514 -1.411 80 HA LYS 11 HA LYS 11 8.337 -5.119 -0.558 81 1HB LYS 11 1HB LYS 11 6.394 -5.002 -2.693 82 2HB LYS 11 2HB LYS 11 8.008 -5.177 -3.379 83 1HG LYS 11 1HG LYS 11 6.919 -6.923 -1.151 84 2HG LYS 11 2HG LYS 11 6.896 -7.371 -2.857 85 1HD LYS 11 1HD LYS 11 9.478 -6.766 -2.705 86 2HD LYS 11 2HD LYS 11 9.226 -7.120 -0.996 87 1HE LYS 11 1HE LYS 11 8.541 -9.362 -1.448 88 2HE LYS 11 2HE LYS 11 8.338 -9.028 -3.180 89 1HZ LYS 11 1HZ LYS 11 10.932 -8.397 -2.042 90 2HZ LYS 11 2HZ LYS 11 10.574 -10.035 -2.165 91 H MET 12 H MET 12 7.905 -2.070 -2.244 92 HA MET 12 HA MET 12 10.783 -2.037 -3.054 93 1HB MET 12 1HB MET 12 8.321 -1.259 -4.236 94 2HB MET 12 2HB MET 12 9.224 0.223 -3.930 95 1HG MET 12 1HG MET 12 10.954 -1.866 -4.981 96 2HG MET 12 2HG MET 12 9.606 -1.543 -6.069 97 1HE MET 12 1HE MET 12 10.083 -0.634 -7.770 98 2HE MET 12 2HE MET 12 10.540 1.043 -8.062 99 3HE MET 12 3HE MET 12 11.780 -0.216 -7.993 100 H ASP 13 H ASP 13 8.458 -0.484 -0.892 101 HA ASP 13 HA ASP 13 10.512 1.564 -0.142 102 1HB ASP 13 1HB ASP 13 8.136 2.129 -0.944 103 2HB ASP 13 2HB ASP 13 7.576 1.469 0.592 104 H GLY 14 H GLY 14 8.888 -1.296 0.984 105 1HA GLY 14 1HA GLY 14 9.349 -2.534 2.946 106 2HA GLY 14 2HA GLY 14 10.403 -1.227 3.484 107 H VAL 15 H VAL 15 7.377 0.003 2.516 108 HA VAL 15 HA VAL 15 6.394 -0.074 5.357 109 HB VAL 15 HB VAL 15 6.503 2.196 3.348 110 1HG1 VAL 15 1HG1 VAL 15 4.331 2.167 4.585 111 2HG1 VAL 15 2HG1 VAL 15 5.226 2.169 6.104 112 3HG1 VAL 15 3HG1 VAL 15 5.329 3.554 5.017 113 1HG2 VAL 15 1HG2 VAL 15 7.978 1.424 5.815 114 2HG2 VAL 15 2HG2 VAL 15 8.535 2.334 4.410 115 3HG2 VAL 15 3HG2 VAL 15 7.573 3.133 5.654 116 HA PRO 16 HA PRO 16 2.808 -1.568 3.088 117 1HB PRO 16 1HB PRO 16 1.520 -2.574 5.271 118 2HB PRO 16 2HB PRO 16 2.870 -3.424 4.492 119 1HG PRO 16 1HG PRO 16 2.822 -1.845 7.001 120 2HG PRO 16 2HG PRO 16 3.781 -3.271 6.582 121 1HD PRO 16 1HD PRO 16 4.698 -0.651 6.584 122 2HD PRO 16 2HD PRO 16 5.474 -2.014 5.751 123 H CYS 17 H CYS 17 0.397 -1.039 3.319 124 HA CYS 17 HA CYS 17 -0.081 1.720 3.916 125 1HB CYS 17 1HB CYS 17 -1.387 -0.244 2.592 126 2HB CYS 17 2HB CYS 17 -2.317 -0.245 4.090 127 H CYS 18 H CYS 18 -1.674 2.466 5.668 128 HA CYS 18 HA CYS 18 -0.691 1.848 8.264 129 1HB CYS 18 1HB CYS 18 -2.641 3.530 7.018 130 2HB CYS 18 2HB CYS 18 -3.376 2.792 8.441 131 H GLU 19 H GLU 19 -1.816 0.780 10.065 132 HA GLU 19 HA GLU 19 -2.527 -1.890 9.620 133 1HB GLU 19 1HB GLU 19 -1.852 -0.674 11.753 134 2HB GLU 19 2HB GLU 19 -3.535 -0.168 11.893 135 1HG GLU 19 1HG GLU 19 -4.096 -2.689 11.642 136 2HG GLU 19 2HG GLU 19 -2.395 -2.958 12.027 137 HA PRO 20 HA PRO 20 -7.181 -0.751 9.860 138 1HB PRO 20 1HB PRO 20 -7.880 1.833 9.276 139 2HB PRO 20 2HB PRO 20 -7.573 1.254 10.926 140 1HG PRO 20 1HG PRO 20 -5.789 2.778 9.092 141 2HG PRO 20 2HG PRO 20 -6.029 2.954 10.838 142 1HD PRO 20 1HD PRO 20 -3.892 1.684 9.764 143 2HD PRO 20 2HD PRO 20 -4.578 1.252 11.344 144 H TYR 21 H TYR 21 -4.908 -0.191 7.464 145 HA TYR 21 HA TYR 21 -7.013 -0.371 5.331 146 1HB TYR 21 1HB TYR 21 -4.518 1.367 5.329 147 2HB TYR 21 2HB TYR 21 -5.653 1.211 3.989 148 HD1 TYR 21 HD1 TYR 21 -8.232 1.560 4.743 149 HD2 TYR 21 HD2 TYR 21 -4.793 3.196 6.730 150 HE1 TYR 21 HE1 TYR 21 -9.651 3.331 5.743 151 HE2 TYR 21 HE2 TYR 21 -6.212 4.966 7.728 152 HH TYR 21 HH TYR 21 -8.960 5.923 6.690 153 H THR 22 H THR 22 -5.995 -1.162 3.209 154 HA THR 22 HA THR 22 -3.544 -2.824 3.616 155 HB THR 22 HB THR 22 -4.890 -4.696 2.464 156 HG1 THR 22 HG1 THR 22 -6.798 -4.064 1.878 157 1HG2 THR 22 1HG2 THR 22 -4.419 -4.175 5.077 158 2HG2 THR 22 2HG2 THR 22 -6.182 -4.181 5.083 159 3HG2 THR 22 3HG2 THR 22 -5.297 -5.600 4.521 160 H CYS 23 H CYS 23 -2.515 -3.427 1.613 161 HA CYS 23 HA CYS 23 -3.083 -1.566 -0.631 162 1HB CYS 23 1HB CYS 23 -0.826 -3.348 0.263 163 2HB CYS 23 2HB CYS 23 -0.850 -2.715 -1.383 164 H THR 24 H THR 24 -2.737 -2.568 -2.891 165 HA THR 24 HA THR 24 -4.426 -5.010 -3.121 166 HB THR 24 HB THR 24 -3.473 -3.001 -5.192 167 HG1 THR 24 HG1 THR 24 -5.737 -3.132 -3.520 168 1HG2 THR 24 1HG2 THR 24 -5.648 -5.111 -5.259 169 2HG2 THR 24 2HG2 THR 24 -5.357 -3.918 -6.525 170 3HG2 THR 24 3HG2 THR 24 -4.138 -5.142 -6.171 171 H SER 25 H SER 25 -1.282 -3.699 -4.142 172 HA SER 25 HA SER 25 -0.398 -6.494 -4.792 173 1HB SER 25 1HB SER 25 0.152 -3.862 -6.199 174 2HB SER 25 2HB SER 25 0.978 -5.368 -6.585 175 HG SER 25 HG SER 25 -0.681 -5.645 -7.858 176 H ASP 26 H ASP 26 2.257 -6.167 -5.092 177 HA ASP 26 HA ASP 26 3.149 -5.079 -2.449 178 1HB ASP 26 1HB ASP 26 4.139 -7.199 -4.364 179 2HB ASP 26 2HB ASP 26 5.150 -6.601 -3.050 180 H TYR 27 H TYR 27 4.183 -5.230 -5.886 181 HA TYR 27 HA TYR 27 6.254 -3.188 -5.465 182 1HB TYR 27 1HB TYR 27 5.144 -4.677 -7.861 183 2HB TYR 27 2HB TYR 27 6.462 -3.511 -7.985 184 HD1 TYR 27 HD1 TYR 27 8.528 -3.878 -6.468 185 HD2 TYR 27 HD2 TYR 27 5.589 -6.914 -7.248 186 HE1 TYR 27 HE1 TYR 27 10.141 -5.623 -5.759 187 HE2 TYR 27 HE2 TYR 27 7.202 -8.657 -6.538 188 HH TYR 27 HH TYR 27 10.142 -8.531 -6.485 189 H TYR 28 H TYR 28 3.302 -3.374 -7.488 190 HA TYR 28 HA TYR 28 2.951 -0.419 -7.116 191 1HB TYR 28 1HB TYR 28 3.992 -0.975 -9.308 192 2HB TYR 28 2HB TYR 28 2.625 -2.027 -9.675 193 HD1 TYR 28 HD1 TYR 28 3.702 1.479 -9.182 194 HD2 TYR 28 HD2 TYR 28 0.445 -1.117 -10.243 195 HE1 TYR 28 HE1 TYR 28 2.417 3.428 -10.016 196 HE2 TYR 28 HE2 TYR 28 -0.838 0.833 -11.074 197 HH TYR 28 HH TYR 28 -0.400 3.106 -11.910 198 H GLY 29 H GLY 29 1.120 -0.419 -5.830 199 1HA GLY 29 1HA GLY 29 -1.364 -1.494 -6.990 200 2HA GLY 29 2HA GLY 29 -0.894 -2.198 -5.444 201 H ASN 30 H ASN 30 -3.248 -0.947 -5.340 202 HA ASN 30 HA ASN 30 -2.696 1.791 -4.236 203 1HB ASN 30 1HB ASN 30 -5.224 0.556 -5.380 204 2HB ASN 30 2HB ASN 30 -5.085 2.207 -4.774 205 1HD2 ASN 30 2HD2 ASN 30 -4.727 0.269 -7.580 206 2HD2 ASN 30 1HD2 ASN 30 -3.896 1.398 -8.536 207 H CYS 31 H CYS 31 -4.231 2.391 -2.419 208 HA CYS 31 HA CYS 31 -4.790 0.029 -0.648 209 1HB CYS 31 1HB CYS 31 -2.841 1.619 -0.118 210 2HB CYS 31 2HB CYS 31 -4.063 2.850 0.197 211 H SER 32 H SER 32 -6.564 0.536 0.991 212 HA SER 32 HA SER 32 -8.417 2.730 0.365 213 1HB SER 32 1HB SER 32 -10.258 1.109 -0.240 214 2HB SER 32 2HB SER 32 -8.958 1.184 -1.423 215 HG SER 32 HG SER 32 -8.595 -0.846 -1.044 Start of MODEL 4 1 1H CYS 1 1H CYS 1 3.450 5.634 7.303 2 2H CYS 1 2H CYS 1 2.874 4.748 8.612 3 H CYS 1 H CYS 1 2.398 6.365 4.924 4 HA CYS 1 HA CYS 1 3.008 3.114 6.290 5 1HB CYS 1 1HB CYS 1 0.732 2.645 7.057 6 2HB CYS 1 2HB CYS 1 1.841 2.678 8.425 7 H ILE 2 H ILE 2 1.074 3.256 4.696 8 HA ILE 2 HA ILE 2 0.990 6.035 3.612 9 HB ILE 2 HB ILE 2 0.398 3.292 2.461 10 1HG1 ILE 2 1HG1 ILE 2 2.409 4.710 1.039 11 2HG1 ILE 2 2HG1 ILE 2 2.783 4.891 2.753 12 1HG2 ILE 2 1HG2 ILE 2 -1.048 5.081 1.474 13 2HG2 ILE 2 2HG2 ILE 2 0.410 5.970 1.037 14 3HG2 ILE 2 3HG2 ILE 2 0.085 4.395 0.311 15 1HD1 ILE 2 1HD1 ILE 2 1.978 2.188 2.334 16 2HD1 ILE 2 2HD1 ILE 2 3.165 2.592 1.092 17 3HD1 ILE 2 3HD1 ILE 2 3.570 2.789 2.797 18 HA PRO 3 HA PRO 3 -3.222 6.402 4.894 19 1HB PRO 3 1HB PRO 3 -3.967 8.434 3.211 20 2HB PRO 3 2HB PRO 3 -2.969 8.689 4.657 21 1HG PRO 3 1HG PRO 3 -2.142 8.469 1.803 22 2HG PRO 3 2HG PRO 3 -1.548 9.557 3.068 23 1HD PRO 3 1HD PRO 3 -0.202 7.338 2.290 24 2HD PRO 3 2HD PRO 3 -0.128 7.981 3.945 25 H LYS 4 H LYS 4 -5.351 5.911 4.070 26 HA LYS 4 HA LYS 4 -5.510 3.951 2.018 27 1HB LYS 4 1HB LYS 4 -7.870 4.080 2.433 28 2HB LYS 4 2HB LYS 4 -7.076 4.446 3.961 29 1HG LYS 4 1HG LYS 4 -7.362 6.854 3.566 30 2HG LYS 4 2HG LYS 4 -8.109 6.520 2.004 31 1HD LYS 4 1HD LYS 4 -10.072 5.752 2.944 32 2HD LYS 4 2HD LYS 4 -9.273 5.189 4.412 33 1HE LYS 4 1HE LYS 4 -8.980 7.529 5.165 34 2HE LYS 4 2HE LYS 4 -9.783 8.100 3.689 35 1HZ LYS 4 1HZ LYS 4 -11.755 7.595 4.544 36 2HZ LYS 4 2HZ LYS 4 -11.271 6.026 4.906 37 H TRP 5 H TRP 5 -6.873 4.166 0.003 38 HA TRP 5 HA TRP 5 -7.268 5.117 -2.108 39 1HB TRP 5 1HB TRP 5 -7.640 7.321 -0.115 40 2HB TRP 5 2HB TRP 5 -7.717 7.706 -1.834 41 HD1 TRP 5 HD1 TRP 5 -9.368 5.442 0.782 42 HE1 TRP 5 HE1 TRP 5 -11.722 4.804 -0.053 43 HE3 TRP 5 HE3 TRP 5 -9.220 7.503 -3.872 44 HZ2 TRP 5 HZ2 TRP 5 -13.327 5.125 -2.401 45 HZ3 TRP 5 HZ3 TRP 5 -11.170 7.322 -5.395 46 HH2 TRP 5 HH2 TRP 5 -13.219 6.132 -4.664 47 H ASN 6 H ASN 6 -4.411 5.083 -0.895 48 HA ASN 6 HA ASN 6 -3.236 7.007 -2.874 49 1HB ASN 6 1HB ASN 6 -2.675 6.526 0.034 50 2HB ASN 6 2HB ASN 6 -1.343 7.011 -1.011 51 1HD2 ASN 6 2HD2 ASN 6 -4.177 8.154 0.660 52 2HD2 ASN 6 1HD2 ASN 6 -4.117 9.753 0.092 53 H ARG 7 H ARG 7 -1.041 6.310 -3.595 54 HA ARG 7 HA ARG 7 -0.958 3.461 -4.185 55 1HB ARG 7 1HB ARG 7 1.010 4.105 -5.476 56 2HB ARG 7 2HB ARG 7 -0.228 5.345 -5.682 57 1HG ARG 7 1HG ARG 7 1.044 6.332 -3.505 58 2HG ARG 7 2HG ARG 7 2.389 5.495 -4.280 59 1HD ARG 7 1HD ARG 7 0.970 6.872 -6.337 60 2HD ARG 7 2HD ARG 7 1.232 8.017 -5.007 61 1HH1 ARG 7 1HH1 ARG 7 2.768 5.396 -7.513 62 2HH1 ARG 7 2HH1 ARG 7 3.500 6.304 -8.793 63 1HH2 ARG 7 1HH2 ARG 7 4.099 9.103 -6.822 64 2HH2 ARG 7 2HH2 ARG 7 4.255 8.408 -8.402 65 H CYS 8 H CYS 8 0.413 1.889 -3.288 66 HA CYS 8 HA CYS 8 2.318 2.753 -1.151 67 1HB CYS 8 1HB CYS 8 1.395 0.949 0.290 68 2HB CYS 8 2HB CYS 8 0.172 2.154 -0.112 69 H GLY 9 H GLY 9 4.223 1.600 -1.182 70 1HA GLY 9 1HA GLY 9 4.328 -0.916 -2.792 71 2HA GLY 9 2HA GLY 9 5.535 0.348 -3.028 72 HA PRO 10 HA PRO 10 6.142 -1.554 1.378 73 1HB PRO 10 1HB PRO 10 5.243 -4.133 1.625 74 2HB PRO 10 2HB PRO 10 4.265 -2.718 2.066 75 1HG PRO 10 1HG PRO 10 4.187 -4.375 -0.409 76 2HG PRO 10 2HG PRO 10 2.852 -3.682 0.526 77 1HD PRO 10 1HD PRO 10 3.754 -2.586 -1.785 78 2HD PRO 10 2HD PRO 10 3.046 -1.621 -0.470 79 H LYS 11 H LYS 11 6.219 -3.551 -1.555 80 HA LYS 11 HA LYS 11 8.624 -5.019 -0.720 81 1HB LYS 11 1HB LYS 11 6.547 -5.316 -2.569 82 2HB LYS 11 2HB LYS 11 7.964 -4.995 -3.569 83 1HG LYS 11 1HG LYS 11 7.913 -7.061 -1.352 84 2HG LYS 11 2HG LYS 11 7.599 -7.440 -3.047 85 1HD LYS 11 1HD LYS 11 9.812 -6.651 -3.684 86 2HD LYS 11 2HD LYS 11 10.129 -6.108 -2.037 87 1HE LYS 11 1HE LYS 11 9.338 -8.845 -1.870 88 2HE LYS 11 2HE LYS 11 10.569 -8.718 -3.142 89 1HZ LYS 11 1HZ LYS 11 11.216 -7.008 -1.001 90 2HZ LYS 11 2HZ LYS 11 10.975 -8.562 -0.404 91 H MET 12 H MET 12 7.916 -1.991 -2.266 92 HA MET 12 HA MET 12 10.589 -1.788 -3.536 93 1HB MET 12 1HB MET 12 8.004 -0.885 -4.084 94 2HB MET 12 2HB MET 12 8.854 0.565 -3.553 95 1HG MET 12 1HG MET 12 10.500 -1.046 -5.336 96 2HG MET 12 2HG MET 12 8.978 -0.581 -6.096 97 1HE MET 12 1HE MET 12 8.660 1.070 -7.268 98 2HE MET 12 2HE MET 12 9.404 2.674 -7.320 99 3HE MET 12 3HE MET 12 10.272 1.276 -7.950 100 H ASP 13 H ASP 13 8.769 -0.443 -0.782 101 HA ASP 13 HA ASP 13 11.228 1.113 -0.024 102 1HB ASP 13 1HB ASP 13 8.904 2.178 -0.682 103 2HB ASP 13 2HB ASP 13 8.456 1.721 0.961 104 H GLY 14 H GLY 14 8.799 -1.201 1.038 105 1HA GLY 14 1HA GLY 14 9.191 -2.762 2.837 106 2HA GLY 14 2HA GLY 14 10.354 -1.633 3.529 107 H VAL 15 H VAL 15 7.362 -0.268 2.435 108 HA VAL 15 HA VAL 15 6.226 -0.333 5.199 109 HB VAL 15 HB VAL 15 6.786 2.096 3.458 110 1HG1 VAL 15 1HG1 VAL 15 4.592 2.078 4.822 111 2HG1 VAL 15 2HG1 VAL 15 5.626 2.109 6.251 112 3HG1 VAL 15 3HG1 VAL 15 5.689 3.433 5.088 113 1HG2 VAL 15 1HG2 VAL 15 7.930 1.055 6.063 114 2HG2 VAL 15 2HG2 VAL 15 8.795 1.427 4.571 115 3HG2 VAL 15 3HG2 VAL 15 8.127 2.732 5.553 116 HA PRO 16 HA PRO 16 2.813 -1.130 2.329 117 1HB PRO 16 1HB PRO 16 1.234 -2.387 4.170 118 2HB PRO 16 2HB PRO 16 2.569 -3.208 3.338 119 1HG PRO 16 1HG PRO 16 2.444 -2.111 6.093 120 2HG PRO 16 2HG PRO 16 3.273 -3.552 5.488 121 1HD PRO 16 1HD PRO 16 4.504 -1.153 6.052 122 2HD PRO 16 2HD PRO 16 5.154 -2.391 4.956 123 H CYS 17 H CYS 17 0.235 -0.776 2.913 124 HA CYS 17 HA CYS 17 -0.082 2.012 3.559 125 1HB CYS 17 1HB CYS 17 -1.713 -0.326 2.821 126 2HB CYS 17 2HB CYS 17 -2.567 0.838 3.834 127 H CYS 18 H CYS 18 -1.621 2.722 5.387 128 HA CYS 18 HA CYS 18 -0.533 2.043 7.936 129 1HB CYS 18 1HB CYS 18 -3.183 3.268 7.138 130 2HB CYS 18 2HB CYS 18 -2.519 3.310 8.770 131 H GLU 19 H GLU 19 -1.910 1.163 9.793 132 HA GLU 19 HA GLU 19 -2.484 -1.568 9.424 133 1HB GLU 19 1HB GLU 19 -3.311 0.458 11.509 134 2HB GLU 19 2HB GLU 19 -3.644 -1.265 11.688 135 1HG GLU 19 1HG GLU 19 -1.575 -1.471 12.561 136 2HG GLU 19 2HG GLU 19 -0.947 -1.151 10.944 137 HA PRO 20 HA PRO 20 -7.162 -0.580 9.326 138 1HB PRO 20 1HB PRO 20 -7.922 1.949 8.600 139 2HB PRO 20 2HB PRO 20 -7.684 1.447 10.285 140 1HG PRO 20 1HG PRO 20 -5.869 2.981 8.494 141 2HG PRO 20 2HG PRO 20 -6.200 3.197 10.220 142 1HD PRO 20 1HD PRO 20 -3.966 1.974 9.268 143 2HD PRO 20 2HD PRO 20 -4.692 1.592 10.844 144 H TYR 21 H TYR 21 -4.769 0.023 7.046 145 HA TYR 21 HA TYR 21 -6.744 -0.301 4.802 146 1HB TYR 21 1HB TYR 21 -4.187 1.336 4.747 147 2HB TYR 21 2HB TYR 21 -5.401 1.235 3.474 148 HD1 TYR 21 HD1 TYR 21 -7.949 1.532 4.750 149 HD2 TYR 21 HD2 TYR 21 -4.226 3.432 5.741 150 HE1 TYR 21 HE1 TYR 21 -9.185 3.404 5.809 151 HE2 TYR 21 HE2 TYR 21 -5.461 5.300 6.799 152 HH TYR 21 HH TYR 21 -8.059 6.264 6.363 153 H THR 22 H THR 22 -5.826 -1.404 2.910 154 HA THR 22 HA THR 22 -3.347 -2.994 3.462 155 HB THR 22 HB THR 22 -4.640 -4.961 2.525 156 HG1 THR 22 HG1 THR 22 -6.927 -3.388 3.041 157 1HG2 THR 22 1HG2 THR 22 -4.373 -4.317 5.034 158 2HG2 THR 22 2HG2 THR 22 -6.076 -3.865 4.935 159 3HG2 THR 22 3HG2 THR 22 -5.582 -5.526 4.601 160 H CYS 23 H CYS 23 -2.302 -3.779 1.492 161 HA CYS 23 HA CYS 23 -2.968 -2.123 -0.913 162 1HB CYS 23 1HB CYS 23 -0.478 -3.584 0.025 163 2HB CYS 23 2HB CYS 23 -0.594 -2.756 -1.527 164 H THR 24 H THR 24 -3.361 -3.136 -2.906 165 HA THR 24 HA THR 24 -4.099 -5.983 -2.834 166 HB THR 24 HB THR 24 -5.375 -4.130 -3.990 167 HG1 THR 24 HG1 THR 24 -6.048 -5.544 -5.422 168 1HG2 THR 24 1HG2 THR 24 -2.955 -3.361 -4.970 169 2HG2 THR 24 2HG2 THR 24 -3.576 -4.286 -6.337 170 3HG2 THR 24 3HG2 THR 24 -4.493 -2.918 -5.709 171 H SER 25 H SER 25 -1.313 -4.117 -3.763 172 HA SER 25 HA SER 25 -0.085 -6.574 -4.965 173 1HB SER 25 1HB SER 25 -0.103 -3.702 -5.910 174 2HB SER 25 2HB SER 25 1.089 -4.861 -6.485 175 HG SER 25 HG SER 25 -1.570 -4.603 -7.091 176 H ASP 26 H ASP 26 2.414 -6.247 -5.038 177 HA ASP 26 HA ASP 26 3.286 -5.186 -2.387 178 1HB ASP 26 1HB ASP 26 4.146 -7.305 -4.315 179 2HB ASP 26 2HB ASP 26 5.383 -6.592 -3.280 180 H TYR 27 H TYR 27 3.881 -4.867 -5.863 181 HA TYR 27 HA TYR 27 6.102 -2.950 -5.420 182 1HB TYR 27 1HB TYR 27 4.778 -3.970 -7.955 183 2HB TYR 27 2HB TYR 27 6.318 -3.118 -7.857 184 HD1 TYR 27 HD1 TYR 27 7.860 -4.256 -5.820 185 HD2 TYR 27 HD2 TYR 27 5.024 -6.252 -8.355 186 HE1 TYR 27 HE1 TYR 27 9.026 -6.406 -5.430 187 HE2 TYR 27 HE2 TYR 27 6.192 -8.404 -7.966 188 HH TYR 27 HH TYR 27 8.997 -8.847 -7.146 189 H TYR 28 H TYR 28 2.954 -3.002 -7.109 190 HA TYR 28 HA TYR 28 2.632 -0.098 -6.470 191 1HB TYR 28 1HB TYR 28 3.534 -0.375 -8.761 192 2HB TYR 28 2HB TYR 28 2.196 -1.454 -9.156 193 HD1 TYR 28 HD1 TYR 28 2.373 1.804 -7.291 194 HD2 TYR 28 HD2 TYR 28 0.718 -0.372 -10.606 195 HE1 TYR 28 HE1 TYR 28 0.961 3.757 -7.868 196 HE2 TYR 28 HE2 TYR 28 -0.693 1.583 -11.182 197 HH TYR 28 HH TYR 28 -0.245 4.445 -10.483 198 H GLY 29 H GLY 29 1.075 -0.770 -4.860 199 1HA GLY 29 1HA GLY 29 -1.476 -1.831 -6.018 200 2HA GLY 29 2HA GLY 29 -0.910 -2.291 -4.413 201 H ASN 30 H ASN 30 -3.413 -1.143 -4.698 202 HA ASN 30 HA ASN 30 -3.022 1.627 -3.604 203 1HB ASN 30 1HB ASN 30 -5.094 0.352 -5.392 204 2HB ASN 30 2HB ASN 30 -5.468 1.821 -4.491 205 1HD2 ASN 30 2HD2 ASN 30 -4.932 3.740 -5.554 206 2HD2 ASN 30 1HD2 ASN 30 -3.775 3.878 -6.789 207 H CYS 31 H CYS 31 -4.715 2.252 -2.000 208 HA CYS 31 HA CYS 31 -5.793 -0.099 -0.468 209 1HB CYS 31 1HB CYS 31 -4.668 2.516 0.601 210 2HB CYS 31 2HB CYS 31 -5.176 1.126 1.560 211 H SER 32 H SER 32 -7.731 0.495 0.872 212 HA SER 32 HA SER 32 -9.117 3.015 0.492 213 1HB SER 32 1HB SER 32 -10.956 1.948 -0.942 214 2HB SER 32 2HB SER 32 -9.428 2.248 -1.762 215 HG SER 32 HG SER 32 -10.282 0.125 -2.122 Start of MODEL 5 1 1H CYS 1 1H CYS 1 3.862 5.413 6.965 2 2H CYS 1 2H CYS 1 2.975 4.938 8.312 3 H CYS 1 H CYS 1 2.786 6.135 4.494 4 HA CYS 1 HA CYS 1 2.973 3.023 6.138 5 1HB CYS 1 1HB CYS 1 0.764 2.697 6.988 6 2HB CYS 1 2HB CYS 1 1.763 3.018 8.405 7 H ILE 2 H ILE 2 0.804 3.391 4.761 8 HA ILE 2 HA ILE 2 1.016 6.111 3.508 9 HB ILE 2 HB ILE 2 0.418 3.328 2.475 10 1HG1 ILE 2 1HG1 ILE 2 2.262 4.832 0.889 11 2HG1 ILE 2 2HG1 ILE 2 2.731 5.019 2.578 12 1HG2 ILE 2 1HG2 ILE 2 -1.190 4.925 1.461 13 2HG2 ILE 2 2HG2 ILE 2 0.161 5.937 0.948 14 3HG2 ILE 2 3HG2 ILE 2 -0.034 4.318 0.277 15 1HD1 ILE 2 1HD1 ILE 2 2.022 2.288 2.202 16 2HD1 ILE 2 2HD1 ILE 2 3.088 2.740 0.873 17 3HD1 ILE 2 3HD1 ILE 2 3.619 2.955 2.540 18 HA PRO 3 HA PRO 3 -3.195 6.675 4.758 19 1HB PRO 3 1HB PRO 3 -3.964 8.542 2.906 20 2HB PRO 3 2HB PRO 3 -2.929 8.925 4.296 21 1HG PRO 3 1HG PRO 3 -2.172 8.419 1.459 22 2HG PRO 3 2HG PRO 3 -1.544 9.624 2.595 23 1HD PRO 3 1HD PRO 3 -0.223 7.333 2.012 24 2HD PRO 3 2HD PRO 3 -0.114 8.130 3.597 25 H LYS 4 H LYS 4 -5.296 5.979 4.091 26 HA LYS 4 HA LYS 4 -5.464 3.930 2.126 27 1HB LYS 4 1HB LYS 4 -7.804 3.947 2.666 28 2HB LYS 4 2HB LYS 4 -6.946 4.393 4.136 29 1HG LYS 4 1HG LYS 4 -7.454 6.724 3.830 30 2HG LYS 4 2HG LYS 4 -8.074 6.434 2.205 31 1HD LYS 4 1HD LYS 4 -10.000 5.317 3.012 32 2HD LYS 4 2HD LYS 4 -9.299 5.088 4.614 33 1HE LYS 4 1HE LYS 4 -9.540 7.412 5.160 34 2HE LYS 4 2HE LYS 4 -9.897 7.838 3.475 35 1HZ LYS 4 1HZ LYS 4 -12.007 7.207 3.711 36 2HZ LYS 4 2HZ LYS 4 -11.588 5.758 4.454 37 H TRP 5 H TRP 5 -6.983 4.010 0.203 38 HA TRP 5 HA TRP 5 -7.511 4.853 -1.924 39 1HB TRP 5 1HB TRP 5 -7.908 7.100 0.012 40 2HB TRP 5 2HB TRP 5 -8.037 7.451 -1.713 41 HD1 TRP 5 HD1 TRP 5 -9.559 5.228 1.000 42 HE1 TRP 5 HE1 TRP 5 -11.895 4.457 0.229 43 HE3 TRP 5 HE3 TRP 5 -9.561 7.088 -3.744 44 HZ2 TRP 5 HZ2 TRP 5 -13.543 4.608 -2.104 45 HZ3 TRP 5 HZ3 TRP 5 -11.522 6.757 -5.226 46 HH2 TRP 5 HH2 TRP 5 -13.508 5.516 -4.409 47 H ASN 6 H ASN 6 -4.609 4.913 -0.931 48 HA ASN 6 HA ASN 6 -3.596 6.830 -3.000 49 1HB ASN 6 1HB ASN 6 -2.880 6.491 -0.104 50 2HB ASN 6 2HB ASN 6 -1.631 7.006 -1.230 51 1HD2 ASN 6 2HD2 ASN 6 -4.325 8.101 0.633 52 2HD2 ASN 6 1HD2 ASN 6 -4.414 9.666 -0.017 53 H ARG 7 H ARG 7 -1.462 6.184 -3.860 54 HA ARG 7 HA ARG 7 -1.231 3.325 -4.285 55 1HB ARG 7 1HB ARG 7 0.692 3.983 -5.651 56 2HB ARG 7 2HB ARG 7 -0.633 5.111 -5.928 57 1HG ARG 7 1HG ARG 7 0.387 6.803 -4.602 58 2HG ARG 7 2HG ARG 7 1.524 5.664 -3.880 59 1HD ARG 7 1HD ARG 7 2.984 6.386 -5.477 60 2HD ARG 7 2HD ARG 7 2.029 5.404 -6.605 61 1HH1 ARG 7 1HH2 ARG 7 2.658 7.040 -8.715 62 2HH1 ARG 7 2HH2 ARG 7 3.534 8.535 -8.749 63 1HH2 ARG 7 1HH1 ARG 7 2.236 9.673 -5.735 64 2HH2 ARG 7 2HH1 ARG 7 3.294 10.027 -7.058 65 H CYS 8 H CYS 8 0.460 1.927 -3.561 66 HA CYS 8 HA CYS 8 2.274 2.933 -1.414 67 1HB CYS 8 1HB CYS 8 1.502 1.112 0.068 68 2HB CYS 8 2HB CYS 8 0.156 2.160 -0.376 69 H GLY 9 H GLY 9 3.953 1.248 -0.866 70 1HA GLY 9 1HA GLY 9 4.275 -1.023 -2.688 71 2HA GLY 9 2HA GLY 9 5.424 0.284 -2.975 72 HA PRO 10 HA PRO 10 6.221 -1.472 1.453 73 1HB PRO 10 1HB PRO 10 5.346 -4.042 1.846 74 2HB PRO 10 2HB PRO 10 4.380 -2.613 2.265 75 1HG PRO 10 1HG PRO 10 4.192 -4.391 -0.115 76 2HG PRO 10 2HG PRO 10 2.904 -3.628 0.829 77 1HD PRO 10 1HD PRO 10 3.754 -2.687 -1.581 78 2HD PRO 10 2HD PRO 10 3.053 -1.652 -0.319 79 H LYS 11 H LYS 11 6.183 -3.625 -1.376 80 HA LYS 11 HA LYS 11 8.606 -5.064 -0.586 81 1HB LYS 11 1HB LYS 11 6.524 -5.526 -2.274 82 2HB LYS 11 2HB LYS 11 7.733 -4.955 -3.424 83 1HG LYS 11 1HG LYS 11 7.990 -7.346 -3.254 84 2HG LYS 11 2HG LYS 11 9.352 -6.612 -2.407 85 1HD LYS 11 1HD LYS 11 8.756 -7.613 -0.483 86 2HD LYS 11 2HD LYS 11 7.138 -6.922 -0.583 87 1HE LYS 11 1HE LYS 11 6.545 -8.782 -2.211 88 2HE LYS 11 2HE LYS 11 8.101 -9.529 -1.802 89 1HZ LYS 11 1HZ LYS 11 5.888 -8.865 0.049 90 2HZ LYS 11 2HZ LYS 11 6.510 -10.390 -0.289 91 H MET 12 H MET 12 8.033 -1.943 -1.829 92 HA MET 12 HA MET 12 10.560 -1.805 -3.381 93 1HB MET 12 1HB MET 12 8.073 -0.734 -3.702 94 2HB MET 12 2HB MET 12 8.886 0.594 -2.874 95 1HG MET 12 1HG MET 12 9.276 0.985 -5.186 96 2HG MET 12 2HG MET 12 10.779 0.289 -4.585 97 1HE MET 12 1HE MET 12 9.168 0.544 -7.500 98 2HE MET 12 2HE MET 12 8.550 -0.985 -8.119 99 3HE MET 12 3HE MET 12 7.668 -0.118 -6.854 100 H ASP 13 H ASP 13 9.073 -0.396 -0.430 101 HA ASP 13 HA ASP 13 11.808 0.583 0.345 102 1HB ASP 13 1HB ASP 13 10.870 2.590 1.025 103 2HB ASP 13 2HB ASP 13 9.809 2.184 -0.320 104 H GLY 14 H GLY 14 8.856 -1.031 1.419 105 1HA GLY 14 1HA GLY 14 9.112 -2.764 3.166 106 2HA GLY 14 2HA GLY 14 10.269 -1.702 3.964 107 H VAL 15 H VAL 15 7.422 -0.200 2.632 108 HA VAL 15 HA VAL 15 6.123 -0.202 5.325 109 HB VAL 15 HB VAL 15 6.946 2.146 3.594 110 1HG1 VAL 15 1HG1 VAL 15 4.866 1.902 5.726 111 2HG1 VAL 15 2HG1 VAL 15 5.853 3.364 5.696 112 3HG1 VAL 15 3HG1 VAL 15 4.885 2.923 4.289 113 1HG2 VAL 15 1HG2 VAL 15 8.657 1.231 5.133 114 2HG2 VAL 15 2HG2 VAL 15 8.135 2.835 5.646 115 3HG2 VAL 15 3HG2 VAL 15 7.533 1.402 6.481 116 HA PRO 16 HA PRO 16 2.867 -0.985 2.236 117 1HB PRO 16 1HB PRO 16 1.204 -2.283 3.966 118 2HB PRO 16 2HB PRO 16 2.591 -3.086 3.203 119 1HG PRO 16 1HG PRO 16 2.328 -1.967 5.951 120 2HG PRO 16 2HG PRO 16 3.123 -3.453 5.413 121 1HD PRO 16 1HD PRO 16 4.457 -1.153 6.019 122 2HD PRO 16 2HD PRO 16 5.062 -2.370 4.874 123 H CYS 17 H CYS 17 0.228 -0.750 2.869 124 HA CYS 17 HA CYS 17 -0.149 2.048 3.514 125 1HB CYS 17 1HB CYS 17 -1.719 -0.303 2.697 126 2HB CYS 17 2HB CYS 17 -2.609 0.789 3.759 127 H CYS 18 H CYS 18 -1.601 2.738 5.404 128 HA CYS 18 HA CYS 18 -0.474 1.941 7.893 129 1HB CYS 18 1HB CYS 18 -2.363 3.797 6.899 130 2HB CYS 18 2HB CYS 18 -3.156 2.938 8.220 131 H GLU 19 H GLU 19 -1.587 0.875 9.727 132 HA GLU 19 HA GLU 19 -2.300 -1.777 9.284 133 1HB GLU 19 1HB GLU 19 -2.045 0.004 11.431 134 2HB GLU 19 2HB GLU 19 -3.666 -0.669 11.598 135 1HG GLU 19 1HG GLU 19 -2.331 -2.221 12.755 136 2HG GLU 19 2HG GLU 19 -2.515 -2.963 11.167 137 HA PRO 20 HA PRO 20 -6.978 -0.713 9.477 138 1HB PRO 20 1HB PRO 20 -7.701 1.858 8.851 139 2HB PRO 20 2HB PRO 20 -7.413 1.300 10.511 140 1HG PRO 20 1HG PRO 20 -5.608 2.811 8.683 141 2HG PRO 20 2HG PRO 20 -5.891 3.026 10.418 142 1HD PRO 20 1HD PRO 20 -3.713 1.759 9.448 143 2HD PRO 20 2HD PRO 20 -4.459 1.323 11.000 144 H TYR 21 H TYR 21 -4.669 -0.047 7.119 145 HA TYR 21 HA TYR 21 -6.721 -0.294 4.939 146 1HB TYR 21 1HB TYR 21 -4.148 1.322 4.885 147 2HB TYR 21 2HB TYR 21 -5.373 1.261 3.618 148 HD1 TYR 21 HD1 TYR 21 -7.904 1.589 4.805 149 HD2 TYR 21 HD2 TYR 21 -4.177 3.324 6.059 150 HE1 TYR 21 HE1 TYR 21 -9.135 3.426 5.923 151 HE2 TYR 21 HE2 TYR 21 -5.409 5.161 7.176 152 HH TYR 21 HH TYR 21 -8.803 5.060 7.686 153 H THR 22 H THR 22 -5.798 -1.306 2.944 154 HA THR 22 HA THR 22 -3.340 -2.945 3.428 155 HB THR 22 HB THR 22 -4.664 -4.874 2.423 156 HG1 THR 22 HG1 THR 22 -6.925 -3.345 3.144 157 1HG2 THR 22 1HG2 THR 22 -4.243 -4.395 4.930 158 2HG2 THR 22 2HG2 THR 22 -5.934 -3.890 4.974 159 3HG2 THR 22 3HG2 THR 22 -5.519 -5.541 4.515 160 H CYS 23 H CYS 23 -2.309 -3.659 1.455 161 HA CYS 23 HA CYS 23 -2.956 -1.946 -0.905 162 1HB CYS 23 1HB CYS 23 -0.537 -3.486 0.066 163 2HB CYS 23 2HB CYS 23 -0.603 -2.773 -1.545 164 H THR 24 H THR 24 -3.001 -2.936 -3.043 165 HA THR 24 HA THR 24 -4.170 -5.643 -3.054 166 HB THR 24 HB THR 24 -4.551 -5.107 -5.450 167 HG1 THR 24 HG1 THR 24 -3.414 -2.581 -4.975 168 1HG2 THR 24 1HG2 THR 24 -5.861 -4.067 -3.362 169 2HG2 THR 24 2HG2 THR 24 -5.254 -2.564 -4.060 170 3HG2 THR 24 3HG2 THR 24 -6.269 -3.637 -5.024 171 H SER 25 H SER 25 -1.218 -4.038 -4.212 172 HA SER 25 HA SER 25 -0.047 -6.747 -4.763 173 1HB SER 25 1HB SER 25 -0.251 -4.258 -6.388 174 2HB SER 25 2HB SER 25 1.258 -5.157 -6.506 175 HG SER 25 HG SER 25 -1.364 -5.930 -7.167 176 H ASP 26 H ASP 26 2.415 -6.644 -4.748 177 HA ASP 26 HA ASP 26 3.331 -5.144 -2.373 178 1HB ASP 26 1HB ASP 26 4.097 -7.499 -3.975 179 2HB ASP 26 2HB ASP 26 5.469 -6.565 -3.379 180 H TYR 27 H TYR 27 3.967 -5.228 -5.882 181 HA TYR 27 HA TYR 27 6.145 -3.277 -5.740 182 1HB TYR 27 1HB TYR 27 4.655 -4.856 -7.774 183 2HB TYR 27 2HB TYR 27 5.370 -3.350 -8.346 184 HD1 TYR 27 HD1 TYR 27 7.867 -2.932 -7.430 185 HD2 TYR 27 HD2 TYR 27 5.984 -6.769 -7.860 186 HE1 TYR 27 HE1 TYR 27 10.095 -4.014 -7.520 187 HE2 TYR 27 HE2 TYR 27 8.212 -7.852 -7.948 188 HH TYR 27 HH TYR 27 10.786 -6.852 -6.896 189 H TYR 28 H TYR 28 2.907 -3.158 -7.266 190 HA TYR 28 HA TYR 28 2.654 -0.306 -6.400 191 1HB TYR 28 1HB TYR 28 3.560 -0.319 -8.672 192 2HB TYR 28 2HB TYR 28 2.307 -1.443 -9.197 193 HD1 TYR 28 HD1 TYR 28 2.263 1.697 -7.129 194 HD2 TYR 28 HD2 TYR 28 0.769 -0.368 -10.589 195 HE1 TYR 28 HE1 TYR 28 0.753 3.603 -7.616 196 HE2 TYR 28 HE2 TYR 28 -0.738 1.540 -11.075 197 HH TYR 28 HH TYR 28 -0.601 4.201 -10.435 198 H GLY 29 H GLY 29 0.707 -0.085 -5.385 199 1HA GLY 29 1HA GLY 29 -1.736 -1.225 -6.499 200 2HA GLY 29 2HA GLY 29 -1.245 -2.002 -4.994 201 H ASN 30 H ASN 30 -3.656 -0.537 -5.194 202 HA ASN 30 HA ASN 30 -3.052 1.954 -3.630 203 1HB ASN 30 1HB ASN 30 -5.344 1.105 -5.423 204 2HB ASN 30 2HB ASN 30 -5.411 2.548 -4.413 205 1HD2 ASN 30 2HD2 ASN 30 -4.909 1.786 -7.534 206 2HD2 ASN 30 1HD2 ASN 30 -3.740 2.942 -7.960 207 H CYS 31 H CYS 31 -4.716 2.441 -1.908 208 HA CYS 31 HA CYS 31 -5.771 -0.083 -0.654 209 1HB CYS 31 1HB CYS 31 -4.784 2.464 0.677 210 2HB CYS 31 2HB CYS 31 -5.206 0.953 1.481 211 H SER 32 H SER 32 -7.500 0.654 1.129 212 HA SER 32 HA SER 32 -9.083 3.024 0.551 213 1HB SER 32 1HB SER 32 -11.079 1.589 -0.250 214 2HB SER 32 2HB SER 32 -9.779 1.855 -1.406 215 HG SER 32 HG SER 32 -10.149 -0.305 -1.433 Start of MODEL 6 1 1H CYS 1 1H CYS 1 2.808 5.896 7.956 2 2H CYS 1 2H CYS 1 2.662 4.680 9.109 3 H CYS 1 H CYS 1 2.805 6.022 4.808 4 HA CYS 1 HA CYS 1 2.931 3.210 6.884 5 1HB CYS 1 1HB CYS 1 0.554 2.806 7.239 6 2HB CYS 1 2HB CYS 1 1.335 3.047 8.801 7 H ILE 2 H ILE 2 0.767 3.385 5.235 8 HA ILE 2 HA ILE 2 1.317 5.868 3.654 9 HB ILE 2 HB ILE 2 0.851 2.989 3.114 10 1HG1 ILE 2 1HG1 ILE 2 2.325 3.525 1.183 11 2HG1 ILE 2 2HG1 ILE 2 2.248 5.231 1.619 12 1HG2 ILE 2 1HG2 ILE 2 -0.313 5.131 1.310 13 2HG2 ILE 2 2HG2 ILE 2 -0.046 3.459 0.821 14 3HG2 ILE 2 3HG2 ILE 2 -1.194 3.828 2.107 15 1HD1 ILE 2 1HD1 ILE 2 3.051 3.312 3.755 16 2HD1 ILE 2 2HD1 ILE 2 4.224 3.643 2.481 17 3HD1 ILE 2 3HD1 ILE 2 3.597 4.963 3.466 18 HA PRO 3 HA PRO 3 -2.845 7.180 4.351 19 1HB PRO 3 1HB PRO 3 -3.238 8.666 2.079 20 2HB PRO 3 2HB PRO 3 -2.239 9.222 3.439 21 1HG PRO 3 1HG PRO 3 -1.403 8.001 0.851 22 2HG PRO 3 2HG PRO 3 -0.676 9.341 1.753 23 1HD PRO 3 1HD PRO 3 0.337 6.829 1.788 24 2HD PRO 3 2HD PRO 3 0.474 7.943 3.167 25 H LYS 4 H LYS 4 -4.906 6.387 3.814 26 HA LYS 4 HA LYS 4 -5.137 4.092 2.144 27 1HB LYS 4 1HB LYS 4 -7.410 4.139 2.803 28 2HB LYS 4 2HB LYS 4 -6.560 4.923 4.131 29 1HG LYS 4 1HG LYS 4 -7.376 6.793 2.014 30 2HG LYS 4 2HG LYS 4 -8.731 5.976 2.785 31 1HD LYS 4 1HD LYS 4 -8.396 7.021 4.782 32 2HD LYS 4 2HD LYS 4 -6.640 6.951 4.639 33 1HE LYS 4 1HE LYS 4 -7.723 8.709 2.601 34 2HE LYS 4 2HE LYS 4 -8.267 9.218 4.212 35 1HZ LYS 4 1HZ LYS 4 -6.184 10.152 4.121 36 2HZ LYS 4 2HZ LYS 4 -5.825 8.675 4.841 37 H TRP 5 H TRP 5 -6.488 3.880 0.200 38 HA TRP 5 HA TRP 5 -6.973 4.404 -2.035 39 1HB TRP 5 1HB TRP 5 -7.694 6.850 -0.440 40 2HB TRP 5 2HB TRP 5 -7.958 6.802 -2.186 41 HD1 TRP 5 HD1 TRP 5 -8.869 4.835 0.990 42 HE1 TRP 5 HE1 TRP 5 -11.102 3.613 0.583 43 HE3 TRP 5 HE3 TRP 5 -9.581 5.966 -3.918 44 HZ2 TRP 5 HZ2 TRP 5 -12.946 3.170 -1.562 45 HZ3 TRP 5 HZ3 TRP 5 -11.578 5.131 -5.131 46 HH2 TRP 5 HH2 TRP 5 -13.257 3.732 -3.959 47 H ASN 6 H ASN 6 -4.176 4.690 -1.265 48 HA ASN 6 HA ASN 6 -3.335 6.710 -3.308 49 1HB ASN 6 1HB ASN 6 -2.708 6.511 -0.415 50 2HB ASN 6 2HB ASN 6 -1.327 6.825 -1.462 51 1HD2 ASN 6 2HD2 ASN 6 -4.391 8.158 -0.294 52 2HD2 ASN 6 1HD2 ASN 6 -4.158 9.715 -0.928 53 H ARG 7 H ARG 7 -1.172 6.201 -4.211 54 HA ARG 7 HA ARG 7 -0.797 3.389 -4.746 55 1HB ARG 7 1HB ARG 7 0.483 5.994 -5.395 56 2HB ARG 7 2HB ARG 7 1.510 4.570 -5.557 57 1HG ARG 7 1HG ARG 7 -0.798 3.692 -6.739 58 2HG ARG 7 2HG ARG 7 -0.821 5.402 -7.170 59 1HD ARG 7 1HD ARG 7 1.578 3.582 -7.598 60 2HD ARG 7 2HD ARG 7 0.403 4.001 -8.859 61 1HH1 ARG 7 1HH2 ARG 7 1.817 5.765 -10.601 62 2HH1 ARG 7 2HH2 ARG 7 0.832 7.171 -10.826 63 1HH2 ARG 7 1HH1 ARG 7 0.085 7.511 -7.448 64 2HH2 ARG 7 2HH1 ARG 7 -0.153 8.163 -9.035 65 H CYS 8 H CYS 8 0.233 1.917 -3.464 66 HA CYS 8 HA CYS 8 2.290 2.908 -1.513 67 1HB CYS 8 1HB CYS 8 1.404 1.334 0.070 68 2HB CYS 8 2HB CYS 8 0.014 2.165 -0.623 69 H GLY 9 H GLY 9 4.018 1.365 -1.055 70 1HA GLY 9 1HA GLY 9 4.253 -0.971 -2.860 71 2HA GLY 9 2HA GLY 9 5.484 0.283 -3.013 72 HA PRO 10 HA PRO 10 5.864 -1.774 1.349 73 1HB PRO 10 1HB PRO 10 5.031 -4.388 1.414 74 2HB PRO 10 2HB PRO 10 3.984 -3.025 1.862 75 1HG PRO 10 1HG PRO 10 4.099 -4.565 -0.685 76 2HG PRO 10 2HG PRO 10 2.694 -3.942 0.195 77 1HD PRO 10 1HD PRO 10 3.720 -2.728 -2.009 78 2HD PRO 10 2HD PRO 10 2.889 -1.843 -0.711 79 H LYS 11 H LYS 11 6.035 -3.949 -1.499 80 HA LYS 11 HA LYS 11 8.527 -5.183 -0.669 81 1HB LYS 11 1HB LYS 11 6.518 -5.763 -2.418 82 2HB LYS 11 2HB LYS 11 7.737 -5.139 -3.529 83 1HG LYS 11 1HG LYS 11 9.005 -6.995 -3.317 84 2HG LYS 11 2HG LYS 11 8.908 -6.940 -1.556 85 1HD LYS 11 1HD LYS 11 6.704 -8.010 -1.617 86 2HD LYS 11 2HD LYS 11 6.735 -8.014 -3.380 87 1HE LYS 11 1HE LYS 11 9.059 -9.295 -2.953 88 2HE LYS 11 2HE LYS 11 8.217 -9.757 -1.461 89 1HZ LYS 11 1HZ LYS 11 6.522 -9.817 -3.763 90 2HZ LYS 11 2HZ LYS 11 7.814 -10.884 -3.902 91 H MET 12 H MET 12 7.730 -2.149 -2.068 92 HA MET 12 HA MET 12 10.336 -1.823 -3.448 93 1HB MET 12 1HB MET 12 8.090 -1.131 -4.387 94 2HB MET 12 2HB MET 12 8.005 0.088 -3.117 95 1HG MET 12 1HG MET 12 9.907 1.249 -3.963 96 2HG MET 12 2HG MET 12 10.354 -0.096 -5.012 97 1HE MET 12 1HE MET 12 7.746 2.126 -3.862 98 2HE MET 12 2HE MET 12 7.976 3.346 -5.111 99 3HE MET 12 3HE MET 12 6.554 2.295 -5.148 100 H ASP 13 H ASP 13 8.523 -0.480 -0.648 101 HA ASP 13 HA ASP 13 11.051 0.933 0.168 102 1HB ASP 13 1HB ASP 13 8.181 1.679 0.038 103 2HB ASP 13 2HB ASP 13 9.048 2.232 1.471 104 H GLY 14 H GLY 14 8.280 -1.000 1.255 105 1HA GLY 14 1HA GLY 14 8.622 -2.666 3.031 106 2HA GLY 14 2HA GLY 14 9.768 -1.556 3.782 107 H VAL 15 H VAL 15 7.122 0.197 2.596 108 HA VAL 15 HA VAL 15 5.772 0.085 5.280 109 HB VAL 15 HB VAL 15 6.251 2.462 3.445 110 1HG1 VAL 15 1HG1 VAL 15 4.136 2.380 4.949 111 2HG1 VAL 15 2HG1 VAL 15 5.261 2.541 6.297 112 3HG1 VAL 15 3HG1 VAL 15 5.171 3.802 5.068 113 1HG2 VAL 15 1HG2 VAL 15 8.271 1.532 4.674 114 2HG2 VAL 15 2HG2 VAL 15 7.864 3.200 5.082 115 3HG2 VAL 15 3HG2 VAL 15 7.429 1.891 6.181 116 HA PRO 16 HA PRO 16 2.511 -0.987 2.288 117 1HB PRO 16 1HB PRO 16 0.949 -2.279 4.120 118 2HB PRO 16 2HB PRO 16 2.352 -3.053 3.356 119 1HG PRO 16 1HG PRO 16 2.120 -1.791 6.050 120 2HG PRO 16 2HG PRO 16 2.938 -3.288 5.578 121 1HD PRO 16 1HD PRO 16 4.253 -0.957 6.011 122 2HD PRO 16 2HD PRO 16 4.821 -2.189 4.862 123 H CYS 17 H CYS 17 -0.105 -0.829 2.926 124 HA CYS 17 HA CYS 17 -0.603 1.971 3.496 125 1HB CYS 17 1HB CYS 17 -2.508 -0.400 3.536 126 2HB CYS 17 2HB CYS 17 -2.942 1.290 3.280 127 H CYS 18 H CYS 18 -1.843 2.738 5.427 128 HA CYS 18 HA CYS 18 -0.758 1.984 7.910 129 1HB CYS 18 1HB CYS 18 -2.589 3.828 6.911 130 2HB CYS 18 2HB CYS 18 -3.516 2.917 8.103 131 H GLU 19 H GLU 19 -1.888 0.932 9.786 132 HA GLU 19 HA GLU 19 -2.555 -1.740 9.279 133 1HB GLU 19 1HB GLU 19 -2.339 0.038 11.499 134 2HB GLU 19 2HB GLU 19 -3.830 -0.882 11.698 135 1HG GLU 19 1HG GLU 19 -1.324 -2.325 10.895 136 2HG GLU 19 2HG GLU 19 -1.549 -1.868 12.584 137 HA PRO 20 HA PRO 20 -7.181 -0.752 9.459 138 1HB PRO 20 1HB PRO 20 -7.947 1.789 8.773 139 2HB PRO 20 2HB PRO 20 -7.677 1.279 10.451 140 1HG PRO 20 1HG PRO 20 -5.894 2.816 8.631 141 2HG PRO 20 2HG PRO 20 -6.186 3.023 10.365 142 1HD PRO 20 1HD PRO 20 -3.980 1.796 9.357 143 2HD PRO 20 2HD PRO 20 -4.669 1.409 10.947 144 H TYR 21 H TYR 21 -4.811 -0.539 7.240 145 HA TYR 21 HA TYR 21 -6.707 -0.742 4.943 146 1HB TYR 21 1HB TYR 21 -4.386 1.198 5.208 147 2HB TYR 21 2HB TYR 21 -5.166 0.833 3.671 148 HD1 TYR 21 HD1 TYR 21 -7.779 1.073 3.619 149 HD2 TYR 21 HD2 TYR 21 -5.244 2.916 6.554 150 HE1 TYR 21 HE1 TYR 21 -9.570 2.706 4.138 151 HE2 TYR 21 HE2 TYR 21 -7.036 4.551 7.074 152 HH TYR 21 HH TYR 21 -9.489 5.249 5.186 153 H THR 22 H THR 22 -5.344 -1.429 2.912 154 HA THR 22 HA THR 22 -2.883 -2.958 3.594 155 HB THR 22 HB THR 22 -4.110 -4.925 2.319 156 HG1 THR 22 HG1 THR 22 -6.261 -4.858 2.417 157 1HG2 THR 22 1HG2 THR 22 -3.412 -4.565 4.861 158 2HG2 THR 22 2HG2 THR 22 -5.160 -4.513 5.084 159 3HG2 THR 22 3HG2 THR 22 -4.404 -5.937 4.370 160 H CYS 23 H CYS 23 -1.703 -3.626 1.657 161 HA CYS 23 HA CYS 23 -2.145 -1.818 -0.641 162 1HB CYS 23 1HB CYS 23 -0.005 -3.683 0.355 163 2HB CYS 23 2HB CYS 23 0.040 -3.138 -1.321 164 H THR 24 H THR 24 -2.979 -2.484 -2.606 165 HA THR 24 HA THR 24 -4.258 -5.063 -2.876 166 HB THR 24 HB THR 24 -3.531 -2.942 -4.927 167 HG1 THR 24 HG1 THR 24 -5.285 -1.933 -4.279 168 1HG2 THR 24 1HG2 THR 24 -5.038 -5.477 -5.053 169 2HG2 THR 24 2HG2 THR 24 -5.874 -4.089 -5.747 170 3HG2 THR 24 3HG2 THR 24 -4.282 -4.550 -6.348 171 H SER 25 H SER 25 -1.127 -3.765 -3.861 172 HA SER 25 HA SER 25 -0.336 -6.491 -4.817 173 1HB SER 25 1HB SER 25 0.187 -3.781 -6.079 174 2HB SER 25 2HB SER 25 0.950 -5.276 -6.610 175 HG SER 25 HG SER 25 -0.884 -5.910 -7.474 176 H ASP 26 H ASP 26 2.252 -6.351 -5.127 177 HA ASP 26 HA ASP 26 3.321 -5.439 -2.507 178 1HB ASP 26 1HB ASP 26 4.060 -7.386 -4.663 179 2HB ASP 26 2HB ASP 26 5.335 -6.792 -3.600 180 H TYR 27 H TYR 27 3.552 -4.677 -5.938 181 HA TYR 27 HA TYR 27 5.826 -2.814 -5.396 182 1HB TYR 27 1HB TYR 27 4.671 -4.061 -7.906 183 2HB TYR 27 2HB TYR 27 5.965 -2.864 -7.928 184 HD1 TYR 27 HD1 TYR 27 5.030 -6.279 -6.815 185 HD2 TYR 27 HD2 TYR 27 8.217 -3.433 -7.280 186 HE1 TYR 27 HE1 TYR 27 6.691 -8.064 -6.363 187 HE2 TYR 27 HE2 TYR 27 9.876 -5.219 -6.827 188 HH TYR 27 HH TYR 27 9.451 -7.795 -5.365 189 H TYR 28 H TYR 28 2.917 -2.860 -7.485 190 HA TYR 28 HA TYR 28 2.488 0.031 -6.784 191 1HB TYR 28 1HB TYR 28 1.975 -1.450 -9.389 192 2HB TYR 28 2HB TYR 28 1.658 0.262 -9.110 193 HD1 TYR 28 HD1 TYR 28 3.892 1.354 -7.768 194 HD2 TYR 28 HD2 TYR 28 3.862 -1.781 -10.706 195 HE1 TYR 28 HE1 TYR 28 6.243 1.881 -8.354 196 HE2 TYR 28 HE2 TYR 28 6.213 -1.252 -11.292 197 HH TYR 28 HH TYR 28 8.255 0.000 -9.752 198 H GLY 29 H GLY 29 0.954 -0.501 -5.121 199 1HA GLY 29 1HA GLY 29 -1.637 -1.560 -6.174 200 2HA GLY 29 2HA GLY 29 -1.015 -2.085 -4.611 201 H ASN 30 H ASN 30 -3.493 -0.893 -4.700 202 HA ASN 30 HA ASN 30 -3.016 1.887 -3.680 203 1HB ASN 30 1HB ASN 30 -4.787 0.772 -5.606 204 2HB ASN 30 2HB ASN 30 -5.776 1.258 -4.228 205 1HD2 ASN 30 2HD2 ASN 30 -4.336 2.442 -7.057 206 2HD2 ASN 30 1HD2 ASN 30 -4.365 4.096 -6.678 207 H CYS 31 H CYS 31 -4.221 2.509 -1.761 208 HA CYS 31 HA CYS 31 -4.739 0.224 0.084 209 1HB CYS 31 1HB CYS 31 -4.569 3.208 0.617 210 2HB CYS 31 2HB CYS 31 -4.461 1.916 1.809 211 H SER 32 H SER 32 -6.720 0.260 1.402 212 HA SER 32 HA SER 32 -8.862 2.107 1.128 213 1HB SER 32 1HB SER 32 -9.193 1.614 -1.123 214 2HB SER 32 2HB SER 32 -8.616 -0.040 -0.952 215 HG SER 32 HG SER 32 -10.597 -0.636 -0.598 Start of MODEL 7 1 1H CYS 1 1H CYS 1 3.934 5.415 7.151 2 2H CYS 1 2H CYS 1 2.797 5.354 8.389 3 H CYS 1 H CYS 1 3.176 6.138 5.260 4 HA CYS 1 HA CYS 1 2.949 3.122 6.478 5 1HB CYS 1 1HB CYS 1 0.765 2.734 7.307 6 2HB CYS 1 2HB CYS 1 1.656 3.288 8.725 7 H ILE 2 H ILE 2 0.952 3.316 4.903 8 HA ILE 2 HA ILE 2 1.182 5.941 3.489 9 HB ILE 2 HB ILE 2 0.326 3.144 2.678 10 1HG1 ILE 2 1HG1 ILE 2 2.480 4.449 1.195 11 2HG1 ILE 2 2HG1 ILE 2 2.848 4.317 2.915 12 1HG2 ILE 2 1HG2 ILE 2 -1.002 4.831 1.454 13 2HG2 ILE 2 2HG2 ILE 2 0.483 5.653 0.977 14 3HG2 ILE 2 3HG2 ILE 2 0.144 4.028 0.382 15 1HD1 ILE 2 1HD1 ILE 2 1.684 1.929 1.537 16 2HD1 ILE 2 2HD1 ILE 2 3.382 2.315 1.248 17 3HD1 ILE 2 3HD1 ILE 2 2.814 2.004 2.888 18 HA PRO 3 HA PRO 3 -2.991 6.822 4.672 19 1HB PRO 3 1HB PRO 3 -3.620 8.625 2.705 20 2HB PRO 3 2HB PRO 3 -2.589 9.023 4.093 21 1HG PRO 3 1HG PRO 3 -1.824 8.345 1.298 22 2HG PRO 3 2HG PRO 3 -1.127 9.543 2.400 23 1HD PRO 3 1HD PRO 3 0.019 7.124 1.912 24 2HD PRO 3 2HD PRO 3 0.207 7.999 3.448 25 H LYS 4 H LYS 4 -5.054 6.056 4.091 26 HA LYS 4 HA LYS 4 -5.328 3.971 2.202 27 1HB LYS 4 1HB LYS 4 -7.617 4.030 2.830 28 2HB LYS 4 2HB LYS 4 -6.763 4.679 4.225 29 1HG LYS 4 1HG LYS 4 -7.711 6.589 2.116 30 2HG LYS 4 2HG LYS 4 -8.884 5.928 3.250 31 1HD LYS 4 1HD LYS 4 -6.806 6.616 4.921 32 2HD LYS 4 2HD LYS 4 -6.745 7.895 3.709 33 1HE LYS 4 1HE LYS 4 -8.995 8.563 4.148 34 2HE LYS 4 2HE LYS 4 -9.333 7.081 5.061 35 1HZ LYS 4 1HZ LYS 4 -7.705 9.394 5.836 36 2HZ LYS 4 2HZ LYS 4 -8.822 8.529 6.748 37 H TRP 5 H TRP 5 -6.739 3.968 0.239 38 HA TRP 5 HA TRP 5 -7.237 4.720 -1.931 39 1HB TRP 5 1HB TRP 5 -7.724 7.045 -0.103 40 2HB TRP 5 2HB TRP 5 -7.880 7.280 -1.844 41 HD1 TRP 5 HD1 TRP 5 -9.279 5.124 1.002 42 HE1 TRP 5 HE1 TRP 5 -11.612 4.266 0.312 43 HE3 TRP 5 HE3 TRP 5 -9.427 6.803 -3.803 44 HZ2 TRP 5 HZ2 TRP 5 -13.315 4.291 -1.992 45 HZ3 TRP 5 HZ3 TRP 5 -11.409 6.374 -5.231 46 HH2 TRP 5 HH2 TRP 5 -13.350 5.119 -4.333 47 H ASN 6 H ASN 6 -4.368 4.835 -0.970 48 HA ASN 6 HA ASN 6 -3.372 6.791 -3.011 49 1HB ASN 6 1HB ASN 6 -3.049 6.771 -0.146 50 2HB ASN 6 2HB ASN 6 -1.476 6.557 -0.914 51 1HD2 ASN 6 2HD2 ASN 6 -4.410 8.642 -1.121 52 2HD2 ASN 6 1HD2 ASN 6 -3.565 10.033 -1.601 53 H ARG 7 H ARG 7 -1.238 6.200 -3.882 54 HA ARG 7 HA ARG 7 -0.944 3.457 -4.570 55 1HB ARG 7 1HB ARG 7 1.163 4.204 -5.547 56 2HB ARG 7 2HB ARG 7 -0.042 5.472 -5.770 57 1HG ARG 7 1HG ARG 7 1.045 6.108 -3.309 58 2HG ARG 7 2HG ARG 7 2.443 5.508 -4.200 59 1HD ARG 7 1HD ARG 7 2.488 7.337 -5.556 60 2HD ARG 7 2HD ARG 7 0.728 7.306 -5.789 61 1HH1 ARG 7 1HH1 ARG 7 3.555 7.733 -3.027 62 2HH1 ARG 7 2HH1 ARG 7 4.201 9.339 -3.060 63 1HH2 ARG 7 1HH2 ARG 7 1.358 10.741 -4.483 64 2HH2 ARG 7 2HH2 ARG 7 2.955 11.046 -3.885 65 H CYS 8 H CYS 8 0.364 1.799 -3.729 66 HA CYS 8 HA CYS 8 1.957 2.381 -1.263 67 1HB CYS 8 1HB CYS 8 0.875 0.246 -0.336 68 2HB CYS 8 2HB CYS 8 -0.168 1.663 -0.434 69 H GLY 9 H GLY 9 3.784 1.046 -1.038 70 1HA GLY 9 1HA GLY 9 4.113 -1.325 -2.753 71 2HA GLY 9 2HA GLY 9 5.193 0.018 -3.123 72 HA PRO 10 HA PRO 10 6.236 -1.595 1.309 73 1HB PRO 10 1HB PRO 10 5.495 -4.185 1.798 74 2HB PRO 10 2HB PRO 10 4.472 -2.791 2.200 75 1HG PRO 10 1HG PRO 10 4.301 -4.661 -0.106 76 2HG PRO 10 2HG PRO 10 3.006 -3.910 0.839 77 1HD PRO 10 1HD PRO 10 3.786 -3.043 -1.634 78 2HD PRO 10 2HD PRO 10 3.025 -2.001 -0.413 79 H LYS 11 H LYS 11 6.366 -3.501 -1.636 80 HA LYS 11 HA LYS 11 8.693 -5.095 -0.837 81 1HB LYS 11 1HB LYS 11 6.710 -5.165 -2.798 82 2HB LYS 11 2HB LYS 11 8.177 -4.790 -3.701 83 1HG LYS 11 1HG LYS 11 8.294 -7.110 -3.656 84 2HG LYS 11 2HG LYS 11 9.210 -6.713 -2.202 85 1HD LYS 11 1HD LYS 11 6.375 -6.826 -1.610 86 2HD LYS 11 2HD LYS 11 6.910 -8.331 -2.357 87 1HE LYS 11 1HE LYS 11 8.326 -8.859 -0.600 88 2HE LYS 11 2HE LYS 11 8.637 -7.158 -0.204 89 1HZ LYS 11 1HZ LYS 11 6.335 -6.968 0.537 90 2HZ LYS 11 2HZ LYS 11 6.078 -8.599 0.217 91 H MET 12 H MET 12 8.214 -1.891 -2.091 92 HA MET 12 HA MET 12 11.059 -1.754 -3.009 93 1HB MET 12 1HB MET 12 8.491 -0.658 -3.857 94 2HB MET 12 2HB MET 12 9.711 0.603 -3.684 95 1HG MET 12 1HG MET 12 10.206 -1.973 -5.199 96 2HG MET 12 2HG MET 12 9.623 -0.499 -5.972 97 1HE MET 12 1HE MET 12 12.277 -2.593 -5.663 98 2HE MET 12 2HE MET 12 13.775 -1.748 -5.283 99 3HE MET 12 3HE MET 12 12.659 -2.170 -3.987 100 H ASP 13 H ASP 13 8.687 -0.225 -0.815 101 HA ASP 13 HA ASP 13 10.870 1.509 0.277 102 1HB ASP 13 1HB ASP 13 8.404 2.155 -0.603 103 2HB ASP 13 2HB ASP 13 8.015 1.799 1.081 104 H GLY 14 H GLY 14 9.020 -1.316 1.000 105 1HA GLY 14 1HA GLY 14 9.127 -2.715 2.888 106 2HA GLY 14 2HA GLY 14 10.299 -1.602 3.593 107 H VAL 15 H VAL 15 7.334 -0.176 2.496 108 HA VAL 15 HA VAL 15 6.284 -0.178 5.307 109 HB VAL 15 HB VAL 15 6.753 2.098 3.365 110 1HG1 VAL 15 1HG1 VAL 15 4.833 1.888 5.670 111 2HG1 VAL 15 2HG1 VAL 15 5.647 3.423 5.367 112 3HG1 VAL 15 3HG1 VAL 15 4.628 2.704 4.120 113 1HG2 VAL 15 1HG2 VAL 15 8.037 1.068 5.751 114 2HG2 VAL 15 2HG2 VAL 15 8.571 2.361 4.678 115 3HG2 VAL 15 3HG2 VAL 15 7.489 2.723 6.023 116 HA PRO 16 HA PRO 16 2.723 -1.400 2.812 117 1HB PRO 16 1HB PRO 16 1.299 -2.421 4.905 118 2HB PRO 16 2HB PRO 16 2.615 -3.320 4.124 119 1HG PRO 16 1HG PRO 16 2.605 -1.822 6.689 120 2HG PRO 16 2HG PRO 16 3.433 -3.326 6.265 121 1HD PRO 16 1HD PRO 16 4.644 -0.861 6.388 122 2HD PRO 16 2HD PRO 16 5.249 -2.235 5.437 123 H CYS 17 H CYS 17 0.224 -0.931 3.314 124 HA CYS 17 HA CYS 17 -0.071 1.900 3.871 125 1HB CYS 17 1HB CYS 17 -1.666 -0.398 2.988 126 2HB CYS 17 2HB CYS 17 -2.587 0.713 4.002 127 H CYS 18 H CYS 18 -1.604 2.693 5.654 128 HA CYS 18 HA CYS 18 -0.668 1.939 8.227 129 1HB CYS 18 1HB CYS 18 -2.525 3.757 7.039 130 2HB CYS 18 2HB CYS 18 -3.316 2.995 8.419 131 H GLU 19 H GLU 19 -1.995 0.978 10.020 132 HA GLU 19 HA GLU 19 -2.687 -1.688 9.620 133 1HB GLU 19 1HB GLU 19 -3.382 0.396 11.660 134 2HB GLU 19 2HB GLU 19 -4.091 -1.213 11.800 135 1HG GLU 19 1HG GLU 19 -2.018 -2.246 12.112 136 2HG GLU 19 2HG GLU 19 -1.134 -0.929 11.344 137 HA PRO 20 HA PRO 20 -7.356 -0.614 9.327 138 1HB PRO 20 1HB PRO 20 -8.010 1.958 8.632 139 2HB PRO 20 2HB PRO 20 -7.880 1.404 10.314 140 1HG PRO 20 1HG PRO 20 -5.893 2.889 8.656 141 2HG PRO 20 2HG PRO 20 -6.354 3.133 10.349 142 1HD PRO 20 1HD PRO 20 -4.095 1.847 9.650 143 2HD PRO 20 2HD PRO 20 -5.024 1.409 11.101 144 H TYR 21 H TYR 21 -4.822 0.027 7.212 145 HA TYR 21 HA TYR 21 -6.640 -0.235 4.837 146 1HB TYR 21 1HB TYR 21 -4.114 1.447 5.021 147 2HB TYR 21 2HB TYR 21 -5.235 1.376 3.663 148 HD1 TYR 21 HD1 TYR 21 -7.849 1.656 4.611 149 HD2 TYR 21 HD2 TYR 21 -4.290 3.415 6.253 150 HE1 TYR 21 HE1 TYR 21 -9.214 3.447 5.648 151 HE2 TYR 21 HE2 TYR 21 -5.655 5.207 7.290 152 HH TYR 21 HH TYR 21 -8.819 5.047 7.806 153 H THR 22 H THR 22 -5.438 -1.148 2.920 154 HA THR 22 HA THR 22 -2.951 -2.651 3.564 155 HB THR 22 HB THR 22 -4.301 -4.647 2.407 156 HG1 THR 22 HG1 THR 22 -6.357 -3.458 3.914 157 1HG2 THR 22 1HG2 THR 22 -3.220 -4.658 4.647 158 2HG2 THR 22 2HG2 THR 22 -4.668 -3.908 5.322 159 3HG2 THR 22 3HG2 THR 22 -4.754 -5.529 4.634 160 H CYS 23 H CYS 23 -1.859 -3.397 1.626 161 HA CYS 23 HA CYS 23 -2.571 -1.791 -0.778 162 1HB CYS 23 1HB CYS 23 -0.288 -1.811 0.358 163 2HB CYS 23 2HB CYS 23 -0.107 -3.465 -0.231 164 H THR 24 H THR 24 -3.474 -2.753 -2.541 165 HA THR 24 HA THR 24 -4.299 -5.484 -2.617 166 HB THR 24 HB THR 24 -4.632 -4.894 -5.097 167 HG1 THR 24 HG1 THR 24 -3.449 -3.286 -5.705 168 1HG2 THR 24 1HG2 THR 24 -5.731 -3.274 -2.810 169 2HG2 THR 24 2HG2 THR 24 -6.270 -2.986 -4.464 170 3HG2 THR 24 3HG2 THR 24 -6.510 -4.567 -3.722 171 H SER 25 H SER 25 -1.529 -3.858 -4.165 172 HA SER 25 HA SER 25 -0.414 -6.553 -4.869 173 1HB SER 25 1HB SER 25 -1.017 -4.447 -6.485 174 2HB SER 25 2HB SER 25 0.652 -4.061 -6.084 175 HG SER 25 HG SER 25 -0.370 -6.046 -7.661 176 H ASP 26 H ASP 26 2.169 -6.206 -5.113 177 HA ASP 26 HA ASP 26 3.098 -5.092 -2.490 178 1HB ASP 26 1HB ASP 26 4.804 -6.790 -2.609 179 2HB ASP 26 2HB ASP 26 3.283 -7.564 -3.041 180 H TYR 27 H TYR 27 3.693 -5.063 -5.986 181 HA TYR 27 HA TYR 27 6.048 -3.292 -5.682 182 1HB TYR 27 1HB TYR 27 4.705 -4.895 -7.816 183 2HB TYR 27 2HB TYR 27 5.637 -3.493 -8.337 184 HD1 TYR 27 HD1 TYR 27 7.929 -3.315 -6.686 185 HD2 TYR 27 HD2 TYR 27 5.919 -6.867 -8.032 186 HE1 TYR 27 HE1 TYR 27 10.029 -4.606 -6.420 187 HE2 TYR 27 HE2 TYR 27 8.020 -8.155 -7.768 188 HH TYR 27 HH TYR 27 10.387 -7.475 -6.018 189 H TYR 28 H TYR 28 2.835 -3.210 -7.236 190 HA TYR 28 HA TYR 28 2.686 -0.289 -6.717 191 1HB TYR 28 1HB TYR 28 2.322 0.231 -9.039 192 2HB TYR 28 2HB TYR 28 3.764 -0.778 -8.974 193 HD1 TYR 28 HD1 TYR 28 3.487 -3.306 -9.390 194 HD2 TYR 28 HD2 TYR 28 0.445 -0.419 -10.325 195 HE1 TYR 28 HE1 TYR 28 2.407 -4.937 -10.910 196 HE2 TYR 28 HE2 TYR 28 -0.636 -2.054 -11.847 197 HH TYR 28 HH TYR 28 -0.418 -5.022 -11.801 198 H GLY 29 H GLY 29 0.649 0.213 -6.022 199 1HA GLY 29 1HA GLY 29 -1.773 -0.830 -7.119 200 2HA GLY 29 2HA GLY 29 -1.386 -1.734 -5.655 201 H ASN 30 H ASN 30 -3.477 -0.688 -4.911 202 HA ASN 30 HA ASN 30 -2.850 1.906 -3.566 203 1HB ASN 30 1HB ASN 30 -4.692 1.411 -5.767 204 2HB ASN 30 2HB ASN 30 -5.542 2.055 -4.361 205 1HD2 ASN 30 2HD2 ASN 30 -5.379 4.291 -4.021 206 2HD2 ASN 30 1HD2 ASN 30 -4.264 5.303 -4.806 207 H CYS 31 H CYS 31 -4.330 2.327 -1.729 208 HA CYS 31 HA CYS 31 -5.397 -0.214 -0.550 209 1HB CYS 31 1HB CYS 31 -4.547 2.411 0.722 210 2HB CYS 31 2HB CYS 31 -5.003 0.945 1.591 211 H SER 32 H SER 32 -7.440 -0.021 0.681 212 HA SER 32 HA SER 32 -9.083 2.381 0.495 213 1HB SER 32 1HB SER 32 -10.754 1.197 -1.068 214 2HB SER 32 2HB SER 32 -9.269 1.783 -1.807 215 HG SER 32 HG SER 32 -10.215 -0.730 -1.623 Start of MODEL 8 1 1H CYS 1 1H CYS 1 3.269 5.704 7.601 2 2H CYS 1 2H CYS 1 2.384 5.020 8.857 3 H CYS 1 H CYS 1 2.839 6.108 5.218 4 HA CYS 1 HA CYS 1 2.934 3.167 6.729 5 1HB CYS 1 1HB CYS 1 0.542 2.715 7.184 6 2HB CYS 1 2HB CYS 1 1.514 2.715 8.653 7 H ILE 2 H ILE 2 0.919 3.173 5.065 8 HA ILE 2 HA ILE 2 1.129 5.764 3.607 9 HB ILE 2 HB ILE 2 0.808 2.882 2.983 10 1HG1 ILE 2 1HG1 ILE 2 1.994 3.962 0.844 11 2HG1 ILE 2 2HG1 ILE 2 2.271 5.287 1.974 12 1HG2 ILE 2 1HG2 ILE 2 -0.619 5.049 1.436 13 2HG2 ILE 2 2HG2 ILE 2 -0.112 3.541 0.672 14 3HG2 ILE 2 3HG2 ILE 2 -1.264 3.513 2.008 15 1HD1 ILE 2 1HD1 ILE 2 2.868 2.476 2.841 16 2HD1 ILE 2 2HD1 ILE 2 4.021 3.325 1.809 17 3HD1 ILE 2 3HD1 ILE 2 3.593 3.989 3.386 18 HA PRO 3 HA PRO 3 -3.068 6.752 4.578 19 1HB PRO 3 1HB PRO 3 -3.543 8.507 2.526 20 2HB PRO 3 2HB PRO 3 -2.562 8.921 3.945 21 1HG PRO 3 1HG PRO 3 -1.690 8.100 1.220 22 2HG PRO 3 2HG PRO 3 -1.018 9.339 2.292 23 1HD PRO 3 1HD PRO 3 0.103 6.888 1.983 24 2HD PRO 3 2HD PRO 3 0.210 7.817 3.495 25 H LYS 4 H LYS 4 -5.145 6.081 3.873 26 HA LYS 4 HA LYS 4 -5.346 3.929 2.023 27 1HB LYS 4 1HB LYS 4 -7.667 4.033 2.550 28 2HB LYS 4 2HB LYS 4 -6.851 4.649 3.986 29 1HG LYS 4 1HG LYS 4 -7.214 6.898 2.339 30 2HG LYS 4 2HG LYS 4 -8.726 6.000 2.226 31 1HD LYS 4 1HD LYS 4 -9.303 6.511 4.350 32 2HD LYS 4 2HD LYS 4 -7.698 6.112 4.962 33 1HE LYS 4 1HE LYS 4 -7.870 8.439 5.375 34 2HE LYS 4 2HE LYS 4 -6.980 8.375 3.841 35 1HZ LYS 4 1HZ LYS 4 -8.651 9.512 2.948 36 2HZ LYS 4 2HZ LYS 4 -9.640 8.172 3.178 37 H TRP 5 H TRP 5 -6.563 3.892 -0.018 38 HA TRP 5 HA TRP 5 -6.920 4.603 -2.225 39 1HB TRP 5 1HB TRP 5 -7.779 6.870 -0.451 40 2HB TRP 5 2HB TRP 5 -7.908 7.023 -2.206 41 HD1 TRP 5 HD1 TRP 5 -9.072 4.764 0.667 42 HE1 TRP 5 HE1 TRP 5 -11.233 3.555 -0.058 43 HE3 TRP 5 HE3 TRP 5 -9.341 6.315 -4.175 44 HZ2 TRP 5 HZ2 TRP 5 -12.855 3.282 -2.401 45 HZ3 TRP 5 HZ3 TRP 5 -11.197 5.565 -5.640 46 HH2 TRP 5 HH2 TRP 5 -12.951 4.050 -4.758 47 H ASN 6 H ASN 6 -4.157 4.884 -1.271 48 HA ASN 6 HA ASN 6 -3.273 7.062 -3.118 49 1HB ASN 6 1HB ASN 6 -3.009 8.101 -1.032 50 2HB ASN 6 2HB ASN 6 -2.665 6.583 -0.212 51 1HD2 ASN 6 2HD2 ASN 6 -0.487 5.782 -0.255 52 2HD2 ASN 6 1HD2 ASN 6 0.811 6.722 -0.808 53 H ARG 7 H ARG 7 -1.009 6.662 -3.887 54 HA ARG 7 HA ARG 7 -0.523 4.103 -4.895 55 1HB ARG 7 1HB ARG 7 1.733 4.945 -5.333 56 2HB ARG 7 2HB ARG 7 0.568 6.247 -5.559 57 1HG ARG 7 1HG ARG 7 1.059 6.831 -3.075 58 2HG ARG 7 2HG ARG 7 2.492 5.821 -3.277 59 1HD ARG 7 1HD ARG 7 2.700 7.335 -5.516 60 2HD ARG 7 2HD ARG 7 1.890 8.491 -4.440 61 1HH1 ARG 7 1HH2 ARG 7 4.848 9.279 -5.369 62 2HH1 ARG 7 2HH2 ARG 7 5.111 10.597 -4.276 63 1HH2 ARG 7 1HH1 ARG 7 3.674 8.976 -1.559 64 2HH2 ARG 7 2HH1 ARG 7 4.444 10.425 -2.114 65 H CYS 8 H CYS 8 0.427 2.233 -4.132 66 HA CYS 8 HA CYS 8 1.558 2.273 -1.348 67 1HB CYS 8 1HB CYS 8 -0.726 1.322 -1.521 68 2HB CYS 8 2HB CYS 8 -0.150 0.174 -2.728 69 H GLY 9 H GLY 9 3.205 0.629 -0.955 70 1HA GLY 9 1HA GLY 9 4.194 -1.168 -2.939 71 2HA GLY 9 2HA GLY 9 5.129 0.325 -3.022 72 HA PRO 10 HA PRO 10 5.847 -1.494 1.376 73 1HB PRO 10 1HB PRO 10 5.083 -4.099 1.752 74 2HB PRO 10 2HB PRO 10 4.031 -2.717 2.113 75 1HG PRO 10 1HG PRO 10 4.040 -4.520 -0.255 76 2HG PRO 10 2HG PRO 10 2.673 -3.817 0.623 77 1HD PRO 10 1HD PRO 10 3.581 -2.849 -1.754 78 2HD PRO 10 2HD PRO 10 2.775 -1.843 -0.531 79 H LYS 11 H LYS 11 6.046 -3.649 -1.445 80 HA LYS 11 HA LYS 11 8.495 -4.975 -0.532 81 1HB LYS 11 1HB LYS 11 6.832 -4.877 -3.048 82 2HB LYS 11 2HB LYS 11 8.384 -5.715 -3.026 83 1HG LYS 11 1HG LYS 11 7.331 -6.742 -0.777 84 2HG LYS 11 2HG LYS 11 5.837 -6.409 -1.652 85 1HD LYS 11 1HD LYS 11 6.332 -7.909 -3.351 86 2HD LYS 11 2HD LYS 11 8.074 -7.766 -3.110 87 1HE LYS 11 1HE LYS 11 7.922 -9.737 -1.977 88 2HE LYS 11 2HE LYS 11 7.158 -8.799 -0.680 89 1HZ LYS 11 1HZ LYS 11 5.353 -9.311 -2.815 90 2HZ LYS 11 2HZ LYS 11 5.955 -10.749 -2.184 91 H MET 12 H MET 12 7.796 -1.936 -1.975 92 HA MET 12 HA MET 12 10.488 -1.730 -3.244 93 1HB MET 12 1HB MET 12 7.813 -0.716 -3.716 94 2HB MET 12 2HB MET 12 8.962 0.620 -3.614 95 1HG MET 12 1HG MET 12 9.881 -1.719 -5.181 96 2HG MET 12 2HG MET 12 8.530 -0.826 -5.881 97 1HE MET 12 1HE MET 12 8.825 0.585 -7.449 98 2HE MET 12 2HE MET 12 10.196 1.612 -7.856 99 3HE MET 12 3HE MET 12 10.329 -0.135 -8.041 100 H ASP 13 H ASP 13 8.482 -0.298 -0.663 101 HA ASP 13 HA ASP 13 10.830 1.392 0.141 102 1HB ASP 13 1HB ASP 13 7.985 1.837 -0.202 103 2HB ASP 13 2HB ASP 13 8.476 2.238 1.444 104 H GLY 14 H GLY 14 8.626 -1.131 1.181 105 1HA GLY 14 1HA GLY 14 9.057 -2.600 3.029 106 2HA GLY 14 2HA GLY 14 10.158 -1.397 3.702 107 H VAL 15 H VAL 15 7.193 -0.054 2.614 108 HA VAL 15 HA VAL 15 6.013 -0.203 5.365 109 HB VAL 15 HB VAL 15 6.429 2.236 3.597 110 1HG1 VAL 15 1HG1 VAL 15 4.490 1.714 5.649 111 2HG1 VAL 15 2HG1 VAL 15 5.635 2.913 6.248 112 3HG1 VAL 15 3HG1 VAL 15 4.757 3.207 4.749 113 1HG2 VAL 15 1HG2 VAL 15 7.625 1.406 6.263 114 2HG2 VAL 15 2HG2 VAL 15 8.483 1.558 4.729 115 3HG2 VAL 15 3HG2 VAL 15 7.840 2.994 5.526 116 HA PRO 16 HA PRO 16 2.662 -1.232 2.500 117 1HB PRO 16 1HB PRO 16 1.107 -2.474 4.373 118 2HB PRO 16 2HB PRO 16 2.488 -3.271 3.593 119 1HG PRO 16 1HG PRO 16 2.278 -2.063 6.298 120 2HG PRO 16 2HG PRO 16 3.169 -3.496 5.767 121 1HD PRO 16 1HD PRO 16 4.302 -1.034 6.242 122 2HD PRO 16 2HD PRO 16 5.010 -2.287 5.202 123 H CYS 17 H CYS 17 0.050 -1.051 3.135 124 HA CYS 17 HA CYS 17 -0.460 1.765 3.561 125 1HB CYS 17 1HB CYS 17 -2.370 -0.591 3.761 126 2HB CYS 17 2HB CYS 17 -2.791 1.077 3.377 127 H CYS 18 H CYS 18 -1.815 2.612 5.406 128 HA CYS 18 HA CYS 18 -0.723 2.061 7.961 129 1HB CYS 18 1HB CYS 18 -3.384 3.220 7.106 130 2HB CYS 18 2HB CYS 18 -2.783 3.289 8.760 131 H GLU 19 H GLU 19 -1.848 1.120 9.869 132 HA GLU 19 HA GLU 19 -2.466 -1.591 9.611 133 1HB GLU 19 1HB GLU 19 -1.916 -0.066 11.645 134 2HB GLU 19 2HB GLU 19 -3.664 0.139 11.766 135 1HG GLU 19 1HG GLU 19 -3.329 -2.613 11.424 136 2HG GLU 19 2HG GLU 19 -2.018 -2.153 12.511 137 HA PRO 20 HA PRO 20 -7.167 -0.612 9.737 138 1HB PRO 20 1HB PRO 20 -7.950 1.871 8.880 139 2HB PRO 20 2HB PRO 20 -7.641 1.477 10.583 140 1HG PRO 20 1HG PRO 20 -5.886 2.859 8.612 141 2HG PRO 20 2HG PRO 20 -6.156 3.215 10.325 142 1HD PRO 20 1HD PRO 20 -3.962 1.916 9.423 143 2HD PRO 20 2HD PRO 20 -4.662 1.620 11.029 144 H TYR 21 H TYR 21 -4.883 -0.148 7.315 145 HA TYR 21 HA TYR 21 -6.928 -0.710 5.191 146 1HB TYR 21 1HB TYR 21 -4.520 1.134 4.965 147 2HB TYR 21 2HB TYR 21 -5.706 0.815 3.699 148 HD1 TYR 21 HD1 TYR 21 -8.267 1.120 4.590 149 HD2 TYR 21 HD2 TYR 21 -4.796 3.106 6.151 150 HE1 TYR 21 HE1 TYR 21 -9.708 2.916 5.509 151 HE2 TYR 21 HE2 TYR 21 -6.234 4.903 7.070 152 HH TYR 21 HH TYR 21 -9.452 5.326 6.170 153 H THR 22 H THR 22 -5.706 -1.567 3.150 154 HA THR 22 HA THR 22 -3.271 -3.138 3.895 155 HB THR 22 HB THR 22 -4.476 -5.067 2.646 156 HG1 THR 22 HG1 THR 22 -6.799 -3.710 3.478 157 1HG2 THR 22 1HG2 THR 22 -5.475 -4.109 5.343 158 2HG2 THR 22 2HG2 THR 22 -5.662 -5.749 4.718 159 3HG2 THR 22 3HG2 THR 22 -4.052 -5.110 5.054 160 H CYS 23 H CYS 23 -2.030 -3.830 2.028 161 HA CYS 23 HA CYS 23 -2.335 -2.028 -0.304 162 1HB CYS 23 1HB CYS 23 -0.197 -2.598 1.069 163 2HB CYS 23 2HB CYS 23 -0.189 -4.103 0.151 164 H THR 24 H THR 24 -3.397 -2.730 -2.107 165 HA THR 24 HA THR 24 -4.399 -5.405 -2.434 166 HB THR 24 HB THR 24 -4.940 -4.517 -4.746 167 HG1 THR 24 HG1 THR 24 -3.555 -3.041 -5.326 168 1HG2 THR 24 1HG2 THR 24 -5.865 -3.645 -2.190 169 2HG2 THR 24 2HG2 THR 24 -5.875 -2.255 -3.274 170 3HG2 THR 24 3HG2 THR 24 -6.761 -3.717 -3.707 171 H SER 25 H SER 25 -1.559 -3.730 -3.760 172 HA SER 25 HA SER 25 -0.628 -6.346 -4.909 173 1HB SER 25 1HB SER 25 0.025 -3.514 -5.787 174 2HB SER 25 2HB SER 25 0.476 -4.998 -6.619 175 HG SER 25 HG SER 25 -1.599 -5.320 -7.192 176 H ASP 26 H ASP 26 2.034 -5.467 -5.407 177 HA ASP 26 HA ASP 26 3.070 -4.949 -2.635 178 1HB ASP 26 1HB ASP 26 3.713 -7.006 -4.730 179 2HB ASP 26 2HB ASP 26 4.973 -6.507 -3.599 180 H TYR 27 H TYR 27 3.884 -4.831 -6.127 181 HA TYR 27 HA TYR 27 5.891 -2.698 -5.542 182 1HB TYR 27 1HB TYR 27 5.387 -4.671 -7.762 183 2HB TYR 27 2HB TYR 27 6.401 -3.256 -8.051 184 HD1 TYR 27 HD1 TYR 27 8.286 -2.799 -6.294 185 HD2 TYR 27 HD2 TYR 27 6.336 -6.594 -6.799 186 HE1 TYR 27 HE1 TYR 27 10.190 -3.926 -5.176 187 HE2 TYR 27 HE2 TYR 27 8.241 -7.721 -5.681 188 HH TYR 27 HH TYR 27 11.126 -6.570 -5.352 189 H TYR 28 H TYR 28 2.896 -3.349 -7.305 190 HA TYR 28 HA TYR 28 2.627 -0.420 -7.823 191 1HB TYR 28 1HB TYR 28 3.548 -1.820 -9.783 192 2HB TYR 28 2HB TYR 28 1.947 -2.556 -9.858 193 HD1 TYR 28 HD1 TYR 28 3.530 0.846 -9.646 194 HD2 TYR 28 HD2 TYR 28 0.340 -1.560 -11.226 195 HE1 TYR 28 HE1 TYR 28 2.695 2.796 -10.930 196 HE2 TYR 28 HE2 TYR 28 -0.494 0.390 -12.511 197 HH TYR 28 HH TYR 28 -0.134 3.207 -12.016 198 H GLY 29 H GLY 29 1.062 -0.466 -6.062 199 1HA GLY 29 1HA GLY 29 -1.615 -1.339 -6.950 200 2HA GLY 29 2HA GLY 29 -1.029 -2.066 -5.454 201 H ASN 30 H ASN 30 -2.993 -0.908 -4.585 202 HA ASN 30 HA ASN 30 -2.181 1.773 -3.576 203 1HB ASN 30 1HB ASN 30 -4.343 2.720 -4.253 204 2HB ASN 30 2HB ASN 30 -3.524 2.055 -5.665 205 1HD2 ASN 30 2HD2 ASN 30 -6.320 1.698 -3.561 206 2HD2 ASN 30 1HD2 ASN 30 -7.051 0.438 -4.431 207 H CYS 31 H CYS 31 -3.743 2.470 -1.784 208 HA CYS 31 HA CYS 31 -4.510 0.078 -0.162 209 1HB CYS 31 1HB CYS 31 -4.177 2.984 0.647 210 2HB CYS 31 2HB CYS 31 -4.246 1.588 1.722 211 H SER 32 H SER 32 -6.529 0.364 1.193 212 HA SER 32 HA SER 32 -8.521 2.351 0.473 213 1HB SER 32 1HB SER 32 -10.029 0.695 -0.696 214 2HB SER 32 2HB SER 32 -8.563 1.075 -1.593 215 HG SER 32 HG SER 32 -9.410 -1.287 -0.551 Start of MODEL 9 1 1H CYS 1 1H CYS 1 3.751 5.318 7.332 2 2H CYS 1 2H CYS 1 2.602 5.140 8.547 3 H CYS 1 H CYS 1 3.285 5.921 5.700 4 HA CYS 1 HA CYS 1 2.853 2.961 6.609 5 1HB CYS 1 1HB CYS 1 0.608 2.620 7.281 6 2HB CYS 1 2HB CYS 1 1.411 3.160 8.755 7 H ILE 2 H ILE 2 0.878 3.192 4.953 8 HA ILE 2 HA ILE 2 1.287 5.780 3.510 9 HB ILE 2 HB ILE 2 0.637 2.937 2.767 10 1HG1 ILE 2 1HG1 ILE 2 2.353 3.995 0.903 11 2HG1 ILE 2 2HG1 ILE 2 2.786 4.910 2.348 12 1HG2 ILE 2 1HG2 ILE 2 0.125 5.381 1.044 13 2HG2 ILE 2 2HG2 ILE 2 0.144 3.722 0.448 14 3HG2 ILE 2 3HG2 ILE 2 -1.082 4.227 1.610 15 1HD1 ILE 2 1HD1 ILE 2 3.063 2.803 3.603 16 2HD1 ILE 2 2HD1 ILE 2 2.635 1.888 2.158 17 3HD1 ILE 2 3HD1 ILE 2 4.119 2.841 2.191 18 HA PRO 3 HA PRO 3 -2.887 6.853 4.506 19 1HB PRO 3 1HB PRO 3 -3.309 8.704 2.528 20 2HB PRO 3 2HB PRO 3 -2.327 9.032 3.969 21 1HG PRO 3 1HG PRO 3 -1.458 8.312 1.212 22 2HG PRO 3 2HG PRO 3 -0.760 9.481 2.345 23 1HD PRO 3 1HD PRO 3 0.296 7.017 1.930 24 2HD PRO 3 2HD PRO 3 0.422 7.874 3.482 25 H LYS 4 H LYS 4 -4.921 6.107 3.851 26 HA LYS 4 HA LYS 4 -5.171 4.135 1.824 27 1HB LYS 4 1HB LYS 4 -7.520 4.234 2.370 28 2HB LYS 4 2HB LYS 4 -6.634 4.575 3.853 29 1HG LYS 4 1HG LYS 4 -7.079 7.038 2.413 30 2HG LYS 4 2HG LYS 4 -8.610 6.189 2.619 31 1HD LYS 4 1HD LYS 4 -8.155 5.969 5.040 32 2HD LYS 4 2HD LYS 4 -6.637 6.841 4.830 33 1HE LYS 4 1HE LYS 4 -9.081 8.174 3.755 34 2HE LYS 4 2HE LYS 4 -8.919 8.107 5.520 35 1HZ LYS 4 1HZ LYS 4 -6.451 8.691 4.201 36 2HZ LYS 4 2HZ LYS 4 -7.623 9.854 3.882 37 H TRP 5 H TRP 5 -6.512 4.269 -0.167 38 HA TRP 5 HA TRP 5 -7.016 5.188 -2.267 39 1HB TRP 5 1HB TRP 5 -7.543 7.352 -0.263 40 2HB TRP 5 2HB TRP 5 -7.695 7.722 -1.983 41 HD1 TRP 5 HD1 TRP 5 -9.064 5.311 0.671 42 HE1 TRP 5 HE1 TRP 5 -11.369 4.458 -0.114 43 HE3 TRP 5 HE3 TRP 5 -9.217 7.393 -3.972 44 HZ2 TRP 5 HZ2 TRP 5 -13.050 4.637 -2.424 45 HZ3 TRP 5 HZ3 TRP 5 -11.175 7.038 -5.452 46 HH2 TRP 5 HH2 TRP 5 -13.087 5.658 -4.681 47 H ASN 6 H ASN 6 -4.169 5.211 -1.358 48 HA ASN 6 HA ASN 6 -3.188 7.364 -3.195 49 1HB ASN 6 1HB ASN 6 -2.797 7.002 -0.335 50 2HB ASN 6 2HB ASN 6 -1.253 6.974 -1.183 51 1HD2 ASN 6 2HD2 ASN 6 -4.205 8.951 -0.717 52 2HD2 ASN 6 1HD2 ASN 6 -3.479 10.421 -1.152 53 H ARG 7 H ARG 7 -0.510 6.755 -3.166 54 HA ARG 7 HA ARG 7 -0.415 4.218 -4.631 55 1HB ARG 7 1HB ARG 7 1.595 6.352 -3.851 56 2HB ARG 7 2HB ARG 7 2.031 4.939 -4.810 57 1HG ARG 7 1HG ARG 7 -0.333 6.560 -5.675 58 2HG ARG 7 2HG ARG 7 1.279 7.205 -5.983 59 1HD ARG 7 1HD ARG 7 0.751 4.338 -6.702 60 2HD ARG 7 2HD ARG 7 0.123 5.611 -7.768 61 1HH1 ARG 7 1HH1 ARG 7 3.294 3.400 -7.263 62 2HH1 ARG 7 2HH1 ARG 7 3.616 3.140 -8.944 63 1HH2 ARG 7 1HH2 ARG 7 2.238 6.163 -9.953 64 2HH2 ARG 7 2HH2 ARG 7 3.015 4.705 -10.471 65 H CYS 8 H CYS 8 0.156 2.265 -3.752 66 HA CYS 8 HA CYS 8 1.472 2.250 -1.051 67 1HB CYS 8 1HB CYS 8 -0.900 1.566 -1.046 68 2HB CYS 8 2HB CYS 8 -0.559 0.354 -2.280 69 H GLY 9 H GLY 9 2.938 0.427 -0.687 70 1HA GLY 9 1HA GLY 9 3.630 -1.603 -2.487 71 2HA GLY 9 2HA GLY 9 4.582 -0.203 -2.981 72 HA PRO 10 HA PRO 10 5.917 -1.409 1.498 73 1HB PRO 10 1HB PRO 10 5.350 -3.986 2.229 74 2HB PRO 10 2HB PRO 10 4.273 -2.619 2.574 75 1HG PRO 10 1HG PRO 10 4.098 -4.668 0.424 76 2HG PRO 10 2HG PRO 10 2.809 -3.925 1.384 77 1HD PRO 10 1HD PRO 10 3.392 -3.197 -1.180 78 2HD PRO 10 2HD PRO 10 2.661 -2.100 0.012 79 H LYS 11 H LYS 11 5.997 -3.603 -1.245 80 HA LYS 11 HA LYS 11 8.502 -4.913 -0.449 81 1HB LYS 11 1HB LYS 11 6.684 -5.964 -1.803 82 2HB LYS 11 2HB LYS 11 7.009 -4.806 -3.092 83 1HG LYS 11 1HG LYS 11 8.229 -6.744 -3.712 84 2HG LYS 11 2HG LYS 11 9.437 -5.665 -3.018 85 1HD LYS 11 1HD LYS 11 9.759 -6.987 -1.179 86 2HD LYS 11 2HD LYS 11 8.066 -7.476 -1.105 87 1HE LYS 11 1HE LYS 11 9.590 -8.454 -3.471 88 2HE LYS 11 2HE LYS 11 10.023 -9.169 -1.906 89 1HZ LYS 11 1HZ LYS 11 7.233 -8.859 -2.067 90 2HZ LYS 11 2HZ LYS 11 7.759 -9.700 -3.425 91 H MET 12 H MET 12 7.563 -2.048 -2.244 92 HA MET 12 HA MET 12 10.211 -1.758 -3.536 93 1HB MET 12 1HB MET 12 7.968 -1.248 -4.599 94 2HB MET 12 2HB MET 12 7.822 0.106 -3.480 95 1HG MET 12 1HG MET 12 9.981 1.010 -4.352 96 2HG MET 12 2HG MET 12 10.010 -0.295 -5.538 97 1HE MET 12 1HE MET 12 9.574 0.292 -7.782 98 2HE MET 12 2HE MET 12 8.879 1.828 -8.293 99 3HE MET 12 3HE MET 12 10.294 1.815 -7.243 100 H ASP 13 H ASP 13 8.396 -0.368 -0.798 101 HA ASP 13 HA ASP 13 10.738 1.441 -0.269 102 1HB ASP 13 1HB ASP 13 7.805 1.677 0.476 103 2HB ASP 13 2HB ASP 13 9.051 2.853 0.889 104 H GLY 14 H GLY 14 8.623 -1.035 1.075 105 1HA GLY 14 1HA GLY 14 9.381 -2.452 2.899 106 2HA GLY 14 2HA GLY 14 10.355 -1.110 3.494 107 H VAL 15 H VAL 15 7.434 0.221 2.600 108 HA VAL 15 HA VAL 15 6.302 -0.153 5.359 109 HB VAL 15 HB VAL 15 6.406 2.294 3.559 110 1HG1 VAL 15 1HG1 VAL 15 4.347 1.781 5.206 111 2HG1 VAL 15 2HG1 VAL 15 5.478 2.419 6.396 112 3HG1 VAL 15 3HG1 VAL 15 5.001 3.407 5.015 113 1HG2 VAL 15 1HG2 VAL 15 8.518 1.635 4.788 114 2HG2 VAL 15 2HG2 VAL 15 7.882 3.214 5.246 115 3HG2 VAL 15 3HG2 VAL 15 7.628 1.822 6.298 116 HA PRO 16 HA PRO 16 2.830 -1.457 2.828 117 1HB PRO 16 1HB PRO 16 1.385 -2.519 4.883 118 2HB PRO 16 2HB PRO 16 2.769 -3.360 4.159 119 1HG PRO 16 1HG PRO 16 2.578 -1.892 6.724 120 2HG PRO 16 2HG PRO 16 3.556 -3.303 6.300 121 1HD PRO 16 1HD PRO 16 4.477 -0.686 6.475 122 2HD PRO 16 2HD PRO 16 5.307 -2.022 5.648 123 H CYS 17 H CYS 17 0.307 -1.106 3.182 124 HA CYS 17 HA CYS 17 -0.221 1.689 3.637 125 1HB CYS 17 1HB CYS 17 -1.475 -0.147 2.262 126 2HB CYS 17 2HB CYS 17 -2.268 -0.523 3.793 127 H CYS 18 H CYS 18 -1.703 2.514 5.403 128 HA CYS 18 HA CYS 18 -0.755 1.928 8.002 129 1HB CYS 18 1HB CYS 18 -2.622 3.637 6.744 130 2HB CYS 18 2HB CYS 18 -3.487 2.850 8.067 131 H GLU 19 H GLU 19 -1.769 0.840 9.800 132 HA GLU 19 HA GLU 19 -2.511 -1.826 9.408 133 1HB GLU 19 1HB GLU 19 -2.652 0.185 11.582 134 2HB GLU 19 2HB GLU 19 -3.632 -1.264 11.809 135 1HG GLU 19 1HG GLU 19 -1.806 -2.637 11.989 136 2HG GLU 19 2HG GLU 19 -0.860 -1.702 10.833 137 HA PRO 20 HA PRO 20 -7.162 -0.644 9.864 138 1HB PRO 20 1HB PRO 20 -7.863 1.884 9.057 139 2HB PRO 20 2HB PRO 20 -7.497 1.457 10.741 140 1HG PRO 20 1HG PRO 20 -5.748 2.749 8.699 141 2HG PRO 20 2HG PRO 20 -5.947 3.133 10.417 142 1HD PRO 20 1HD PRO 20 -3.846 1.729 9.496 143 2HD PRO 20 2HD PRO 20 -4.553 1.428 11.097 144 H TYR 21 H TYR 21 -4.976 -0.232 7.337 145 HA TYR 21 HA TYR 21 -7.115 -0.772 5.314 146 1HB TYR 21 1HB TYR 21 -4.738 1.100 5.009 147 2HB TYR 21 2HB TYR 21 -5.943 0.758 3.771 148 HD1 TYR 21 HD1 TYR 21 -8.447 1.212 4.435 149 HD2 TYR 21 HD2 TYR 21 -5.058 2.887 6.471 150 HE1 TYR 21 HE1 TYR 21 -9.891 2.999 5.372 151 HE2 TYR 21 HE2 TYR 21 -6.498 4.671 7.407 152 HH TYR 21 HH TYR 21 -8.900 5.024 7.912 153 H THR 22 H THR 22 -6.044 -1.712 3.256 154 HA THR 22 HA THR 22 -3.578 -3.280 3.946 155 HB THR 22 HB THR 22 -4.794 -5.135 2.612 156 HG1 THR 22 HG1 THR 22 -6.523 -4.190 1.760 157 1HG2 THR 22 1HG2 THR 22 -5.525 -4.163 5.362 158 2HG2 THR 22 2HG2 THR 22 -6.296 -5.603 4.698 159 3HG2 THR 22 3HG2 THR 22 -4.545 -5.553 4.899 160 H CYS 23 H CYS 23 -2.302 -3.907 2.095 161 HA CYS 23 HA CYS 23 -2.540 -2.032 -0.191 162 1HB CYS 23 1HB CYS 23 -0.444 -2.701 1.254 163 2HB CYS 23 2HB CYS 23 -0.398 -4.111 0.196 164 H THR 24 H THR 24 -2.527 -2.835 -2.408 165 HA THR 24 HA THR 24 -3.968 -5.410 -2.708 166 HB THR 24 HB THR 24 -3.272 -3.201 -4.670 167 HG1 THR 24 HG1 THR 24 -5.671 -3.759 -3.257 168 1HG2 THR 24 1HG2 THR 24 -5.001 -5.666 -4.836 169 2HG2 THR 24 2HG2 THR 24 -5.301 -4.268 -5.867 170 3HG2 THR 24 3HG2 THR 24 -3.758 -5.117 -5.959 171 H SER 25 H SER 25 -1.025 -3.822 -3.947 172 HA SER 25 HA SER 25 0.020 -6.530 -4.711 173 1HB SER 25 1HB SER 25 0.126 -3.862 -6.134 174 2HB SER 25 2HB SER 25 1.158 -5.216 -6.585 175 HG SER 25 HG SER 25 -0.492 -6.015 -7.596 176 H ASP 26 H ASP 26 2.545 -6.250 -5.115 177 HA ASP 26 HA ASP 26 3.671 -5.096 -2.622 178 1HB ASP 26 1HB ASP 26 4.492 -7.070 -4.741 179 2HB ASP 26 2HB ASP 26 5.717 -6.384 -3.676 180 H TYR 27 H TYR 27 4.082 -4.840 -6.165 181 HA TYR 27 HA TYR 27 6.065 -2.656 -5.840 182 1HB TYR 27 1HB TYR 27 5.091 -4.496 -7.980 183 2HB TYR 27 2HB TYR 27 5.748 -2.943 -8.495 184 HD1 TYR 27 HD1 TYR 27 6.553 -5.691 -6.059 185 HD2 TYR 27 HD2 TYR 27 8.034 -2.828 -8.899 186 HE1 TYR 27 HE1 TYR 27 8.851 -6.555 -5.729 187 HE2 TYR 27 HE2 TYR 27 10.334 -3.693 -8.570 188 HH TYR 27 HH TYR 27 11.471 -5.085 -6.322 189 H TYR 28 H TYR 28 3.106 -3.124 -7.796 190 HA TYR 28 HA TYR 28 2.477 -0.215 -7.392 191 1HB TYR 28 1HB TYR 28 1.897 -2.020 -9.769 192 2HB TYR 28 2HB TYR 28 1.551 -0.294 -9.672 193 HD1 TYR 28 HD1 TYR 28 3.697 1.154 -8.863 194 HD2 TYR 28 HD2 TYR 28 3.838 -2.631 -10.886 195 HE1 TYR 28 HE1 TYR 28 6.000 1.651 -9.627 196 HE2 TYR 28 HE2 TYR 28 6.142 -2.135 -11.654 197 HH TYR 28 HH TYR 28 8.109 -0.166 -10.403 198 H GLY 29 H GLY 29 1.033 -0.553 -5.638 199 1HA GLY 29 1HA GLY 29 -1.532 -1.870 -6.393 200 2HA GLY 29 2HA GLY 29 -0.768 -2.297 -4.864 201 H ASN 30 H ASN 30 -3.351 -1.099 -5.057 202 HA ASN 30 HA ASN 30 -2.850 1.668 -4.018 203 1HB ASN 30 1HB ASN 30 -4.994 0.313 -5.594 204 2HB ASN 30 2HB ASN 30 -5.492 1.603 -4.500 205 1HD2 ASN 30 2HD2 ASN 30 -5.196 3.731 -5.234 206 2HD2 ASN 30 1HD2 ASN 30 -4.282 4.157 -6.599 207 H CYS 31 H CYS 31 -4.725 2.276 -2.403 208 HA CYS 31 HA CYS 31 -5.289 -0.005 -0.546 209 1HB CYS 31 1HB CYS 31 -3.221 1.509 -0.073 210 2HB CYS 31 2HB CYS 31 -4.411 2.730 0.378 211 H SER 32 H SER 32 -7.229 0.303 0.706 212 HA SER 32 HA SER 32 -8.759 2.790 0.545 213 1HB SER 32 1HB SER 32 -10.662 1.521 -0.701 214 2HB SER 32 2HB SER 32 -9.293 2.088 -1.651 215 HG SER 32 HG SER 32 -10.133 -0.278 -1.700 Start of MODEL 10 1 1H CYS 1 1H CYS 1 3.163 5.828 7.525 2 2H CYS 1 2H CYS 1 2.614 4.964 8.859 3 H CYS 1 H CYS 1 2.680 6.305 5.365 4 HA CYS 1 HA CYS 1 2.827 3.210 6.662 5 1HB CYS 1 1HB CYS 1 0.537 2.770 7.342 6 2HB CYS 1 2HB CYS 1 1.541 2.979 8.772 7 H ILE 2 H ILE 2 0.997 3.212 4.964 8 HA ILE 2 HA ILE 2 1.035 5.850 3.590 9 HB ILE 2 HB ILE 2 0.463 2.983 2.805 10 1HG1 ILE 2 1HG1 ILE 2 2.343 4.089 1.093 11 2HG1 ILE 2 2HG1 ILE 2 2.714 4.868 2.631 12 1HG2 ILE 2 1HG2 ILE 2 0.127 5.502 1.146 13 2HG2 ILE 2 2HG2 ILE 2 0.190 3.875 0.469 14 3HG2 ILE 2 3HG2 ILE 2 -1.125 4.329 1.552 15 1HD1 ILE 2 1HD1 ILE 2 2.235 2.183 3.286 16 2HD1 ILE 2 2HD1 ILE 2 3.195 2.126 1.807 17 3HD1 ILE 2 3HD1 ILE 2 3.803 2.987 3.221 18 HA PRO 3 HA PRO 3 -3.195 6.549 4.688 19 1HB PRO 3 1HB PRO 3 -3.786 8.423 2.778 20 2HB PRO 3 2HB PRO 3 -2.829 8.784 4.229 21 1HG PRO 3 1HG PRO 3 -1.915 8.246 1.447 22 2HG PRO 3 2HG PRO 3 -1.310 9.421 2.625 23 1HD PRO 3 1HD PRO 3 -0.057 7.071 2.107 24 2HD PRO 3 2HD PRO 3 0.010 7.877 3.690 25 H LYS 4 H LYS 4 -5.223 5.822 3.955 26 HA LYS 4 HA LYS 4 -5.330 3.808 1.958 27 1HB LYS 4 1HB LYS 4 -7.689 3.810 2.448 28 2HB LYS 4 2HB LYS 4 -6.850 4.201 3.947 29 1HG LYS 4 1HG LYS 4 -7.445 6.597 2.380 30 2HG LYS 4 2HG LYS 4 -8.904 5.689 2.775 31 1HD LYS 4 1HD LYS 4 -8.822 6.450 4.887 32 2HD LYS 4 2HD LYS 4 -7.222 5.736 5.092 33 1HE LYS 4 1HE LYS 4 -6.138 7.734 4.717 34 2HE LYS 4 2HE LYS 4 -7.348 8.285 3.542 35 1HZ LYS 4 1HZ LYS 4 -8.027 9.526 5.287 36 2HZ LYS 4 2HZ LYS 4 -8.836 8.117 5.722 37 H TRP 5 H TRP 5 -6.484 3.819 -0.080 38 HA TRP 5 HA TRP 5 -6.965 4.632 -2.216 39 1HB TRP 5 1HB TRP 5 -7.861 6.782 -0.323 40 2HB TRP 5 2HB TRP 5 -8.032 7.008 -2.066 41 HD1 TRP 5 HD1 TRP 5 -9.040 4.559 0.714 42 HE1 TRP 5 HE1 TRP 5 -11.167 3.304 -0.027 43 HE3 TRP 5 HE3 TRP 5 -9.482 6.351 -4.028 44 HZ2 TRP 5 HZ2 TRP 5 -12.830 3.087 -2.347 45 HZ3 TRP 5 HZ3 TRP 5 -11.338 5.605 -5.492 46 HH2 TRP 5 HH2 TRP 5 -13.009 3.974 -4.656 47 H ASN 6 H ASN 6 -4.205 4.966 -1.268 48 HA ASN 6 HA ASN 6 -3.414 7.240 -3.049 49 1HB ASN 6 1HB ASN 6 -2.745 6.657 -0.194 50 2HB ASN 6 2HB ASN 6 -1.459 7.313 -1.208 51 1HD2 ASN 6 2HD2 ASN 6 -4.330 8.127 0.550 52 2HD2 ASN 6 1HD2 ASN 6 -4.440 9.743 0.040 53 H ARG 7 H ARG 7 -0.854 6.955 -3.405 54 HA ARG 7 HA ARG 7 -0.459 4.448 -4.760 55 1HB ARG 7 1HB ARG 7 0.788 6.990 -4.489 56 2HB ARG 7 2HB ARG 7 2.012 5.779 -4.103 57 1HG ARG 7 1HG ARG 7 1.049 4.570 -6.245 58 2HG ARG 7 2HG ARG 7 0.503 6.196 -6.659 59 1HD ARG 7 1HD ARG 7 2.869 7.005 -6.281 60 2HD ARG 7 2HD ARG 7 3.355 5.305 -6.123 61 1HH1 ARG 7 1HH1 ARG 7 1.798 8.114 -8.528 62 2HH1 ARG 7 2HH1 ARG 7 3.120 8.558 -9.556 63 1HH2 ARG 7 1HH2 ARG 7 4.741 5.501 -9.233 64 2HH2 ARG 7 2HH2 ARG 7 4.790 7.074 -9.957 65 H CYS 8 H CYS 8 0.341 2.525 -3.987 66 HA CYS 8 HA CYS 8 1.723 2.521 -1.326 67 1HB CYS 8 1HB CYS 8 -0.623 1.919 -1.031 68 2HB CYS 8 2HB CYS 8 -0.518 0.739 -2.337 69 H GLY 9 H GLY 9 3.133 0.656 -1.022 70 1HA GLY 9 1HA GLY 9 3.602 -1.387 -2.943 71 2HA GLY 9 2HA GLY 9 4.693 -0.047 -3.303 72 HA PRO 10 HA PRO 10 5.700 -1.806 1.109 73 1HB PRO 10 1HB PRO 10 5.182 -4.492 1.342 74 2HB PRO 10 2HB PRO 10 4.030 -3.233 1.834 75 1HG PRO 10 1HG PRO 10 4.113 -4.844 -0.675 76 2HG PRO 10 2HG PRO 10 2.723 -4.384 0.322 77 1HD PRO 10 1HD PRO 10 3.342 -3.111 -1.980 78 2HD PRO 10 2HD PRO 10 2.586 -2.281 -0.602 79 H LYS 11 H LYS 11 5.972 -3.720 -1.868 80 HA LYS 11 HA LYS 11 8.548 -4.912 -1.153 81 1HB LYS 11 1HB LYS 11 6.654 -5.679 -2.796 82 2HB LYS 11 2HB LYS 11 7.444 -4.594 -3.939 83 1HG LYS 11 1HG LYS 11 8.710 -6.433 -4.408 84 2HG LYS 11 2HG LYS 11 9.605 -5.935 -2.974 85 1HD LYS 11 1HD LYS 11 8.714 -7.607 -1.664 86 2HD LYS 11 2HD LYS 11 7.189 -7.633 -2.549 87 1HE LYS 11 1HE LYS 11 8.188 -9.655 -3.231 88 2HE LYS 11 2HE LYS 11 8.687 -8.552 -4.527 89 1HZ LYS 11 1HZ LYS 11 10.242 -9.309 -2.122 90 2HZ LYS 11 2HZ LYS 11 10.636 -9.623 -3.726 91 H MET 12 H MET 12 7.540 -1.822 -2.312 92 HA MET 12 HA MET 12 10.144 -1.243 -3.627 93 1HB MET 12 1HB MET 12 8.178 -0.565 -4.825 94 2HB MET 12 2HB MET 12 7.468 0.158 -3.382 95 1HG MET 12 1HG MET 12 8.312 1.978 -4.685 96 2HG MET 12 2HG MET 12 9.454 1.760 -3.360 97 1HE MET 12 1HE MET 12 10.033 3.421 -5.491 98 2HE MET 12 2HE MET 12 11.622 3.006 -4.834 99 3HE MET 12 3HE MET 12 11.339 2.942 -6.571 100 H ASP 13 H ASP 13 8.155 -0.160 -0.838 101 HA ASP 13 HA ASP 13 10.488 1.500 0.068 102 1HB ASP 13 1HB ASP 13 7.776 2.062 -0.320 103 2HB ASP 13 2HB ASP 13 7.939 1.903 1.430 104 H GLY 14 H GLY 14 8.443 -1.216 0.910 105 1HA GLY 14 1HA GLY 14 8.917 -2.827 2.603 106 2HA GLY 14 2HA GLY 14 10.102 -1.718 3.295 107 H VAL 15 H VAL 15 7.034 -0.317 2.535 108 HA VAL 15 HA VAL 15 6.181 -0.550 5.402 109 HB VAL 15 HB VAL 15 6.261 1.879 3.580 110 1HG1 VAL 15 1HG1 VAL 15 4.220 1.709 5.098 111 2HG1 VAL 15 2HG1 VAL 15 5.336 1.761 6.464 112 3HG1 VAL 15 3HG1 VAL 15 5.230 3.131 5.358 113 1HG2 VAL 15 1HG2 VAL 15 8.428 1.258 4.602 114 2HG2 VAL 15 2HG2 VAL 15 7.811 2.758 5.294 115 3HG2 VAL 15 3HG2 VAL 15 7.671 1.249 6.196 116 HA PRO 16 HA PRO 16 2.497 -1.793 3.158 117 1HB PRO 16 1HB PRO 16 1.125 -2.652 5.360 118 2HB PRO 16 2HB PRO 16 2.395 -3.621 4.585 119 1HG PRO 16 1HG PRO 16 2.507 -1.981 7.059 120 2HG PRO 16 2HG PRO 16 3.305 -3.514 6.682 121 1HD PRO 16 1HD PRO 16 4.539 -1.058 6.624 122 2HD PRO 16 2HD PRO 16 5.095 -2.486 5.726 123 H CYS 17 H CYS 17 0.066 -1.218 3.542 124 HA CYS 17 HA CYS 17 -0.221 1.620 3.886 125 1HB CYS 17 1HB CYS 17 -1.655 -0.332 2.718 126 2HB CYS 17 2HB CYS 17 -2.543 -0.228 4.240 127 H CYS 18 H CYS 18 -1.704 2.605 5.577 128 HA CYS 18 HA CYS 18 -0.771 2.246 8.205 129 1HB CYS 18 1HB CYS 18 -3.417 3.267 7.150 130 2HB CYS 18 2HB CYS 18 -2.851 3.517 8.803 131 H GLU 19 H GLU 19 -1.894 1.405 10.117 132 HA GLU 19 HA GLU 19 -2.476 -1.312 10.061 133 1HB GLU 19 1HB GLU 19 -2.577 0.897 11.902 134 2HB GLU 19 2HB GLU 19 -3.953 -0.167 12.195 135 1HG GLU 19 1HG GLU 19 -1.206 -1.334 11.805 136 2HG GLU 19 2HG GLU 19 -1.680 -0.693 13.380 137 HA PRO 20 HA PRO 20 -7.190 -0.497 9.989 138 1HB PRO 20 1HB PRO 20 -8.057 1.953 9.124 139 2HB PRO 20 2HB PRO 20 -7.752 1.571 10.830 140 1HG PRO 20 1HG PRO 20 -6.041 3.038 8.887 141 2HG PRO 20 2HG PRO 20 -6.331 3.361 10.602 142 1HD PRO 20 1HD PRO 20 -4.086 2.150 9.668 143 2HD PRO 20 2HD PRO 20 -4.752 1.852 11.288 144 H TYR 21 H TYR 21 -4.890 -0.123 7.630 145 HA TYR 21 HA TYR 21 -6.872 -0.710 5.474 146 1HB TYR 21 1HB TYR 21 -4.668 1.379 5.437 147 2HB TYR 21 2HB TYR 21 -5.555 0.865 4.002 148 HD1 TYR 21 HD1 TYR 21 -8.138 1.038 4.067 149 HD2 TYR 21 HD2 TYR 21 -5.545 3.050 6.838 150 HE1 TYR 21 HE1 TYR 21 -9.975 2.598 4.650 151 HE2 TYR 21 HE2 TYR 21 -7.381 4.611 7.420 152 HH TYR 21 HH TYR 21 -9.448 5.444 6.544 153 H THR 22 H THR 22 -5.487 -1.352 3.395 154 HA THR 22 HA THR 22 -2.947 -2.727 4.090 155 HB THR 22 HB THR 22 -4.298 -4.737 2.783 156 HG1 THR 22 HG1 THR 22 -6.353 -4.740 3.352 157 1HG2 THR 22 1HG2 THR 22 -4.159 -4.200 5.761 158 2HG2 THR 22 2HG2 THR 22 -4.508 -5.769 5.035 159 3HG2 THR 22 3HG2 THR 22 -2.934 -5.013 4.787 160 H CYS 23 H CYS 23 -1.844 -3.544 2.122 161 HA CYS 23 HA CYS 23 -2.370 -1.794 -0.210 162 1HB CYS 23 1HB CYS 23 -0.121 -2.459 1.041 163 2HB CYS 23 2HB CYS 23 -0.183 -3.842 -0.050 164 H THR 24 H THR 24 -2.543 -2.689 -2.394 165 HA THR 24 HA THR 24 -4.012 -5.264 -2.459 166 HB THR 24 HB THR 24 -3.438 -3.155 -4.567 167 HG1 THR 24 HG1 THR 24 -4.881 -2.126 -3.460 168 1HG2 THR 24 1HG2 THR 24 -4.070 -5.599 -5.243 169 2HG2 THR 24 2HG2 THR 24 -5.674 -5.166 -4.650 170 3HG2 THR 24 3HG2 THR 24 -4.948 -4.258 -5.976 171 H SER 25 H SER 25 -1.216 -3.748 -4.090 172 HA SER 25 HA SER 25 -0.266 -6.487 -4.866 173 1HB SER 25 1HB SER 25 -0.368 -3.821 -6.152 174 2HB SER 25 2HB SER 25 1.118 -4.724 -6.425 175 HG SER 25 HG SER 25 0.022 -6.229 -7.484 176 H ASP 26 H ASP 26 2.287 -6.372 -5.179 177 HA ASP 26 HA ASP 26 3.410 -5.449 -2.585 178 1HB ASP 26 1HB ASP 26 4.011 -7.471 -4.691 179 2HB ASP 26 2HB ASP 26 5.391 -6.825 -3.802 180 H TYR 27 H TYR 27 4.219 -5.253 -6.078 181 HA TYR 27 HA TYR 27 6.297 -3.237 -5.599 182 1HB TYR 27 1HB TYR 27 5.064 -4.629 -7.975 183 2HB TYR 27 2HB TYR 27 6.200 -3.298 -8.201 184 HD1 TYR 27 HD1 TYR 27 8.544 -3.506 -7.537 185 HD2 TYR 27 HD2 TYR 27 5.783 -6.752 -6.992 186 HE1 TYR 27 HE1 TYR 27 10.440 -5.048 -7.131 187 HE2 TYR 27 HE2 TYR 27 7.681 -8.296 -6.588 188 HH TYR 27 HH TYR 27 10.463 -7.579 -5.671 189 H TYR 28 H TYR 28 3.344 -3.206 -7.620 190 HA TYR 28 HA TYR 28 2.972 -0.318 -6.889 191 1HB TYR 28 1HB TYR 28 3.118 -1.752 -9.518 192 2HB TYR 28 2HB TYR 28 2.028 -0.372 -9.387 193 HD1 TYR 28 HD1 TYR 28 5.566 -1.454 -8.967 194 HD2 TYR 28 HD2 TYR 28 2.855 1.865 -9.294 195 HE1 TYR 28 HE1 TYR 28 7.488 0.096 -9.192 196 HE2 TYR 28 HE2 TYR 28 4.779 3.412 -9.520 197 HH TYR 28 HH TYR 28 7.715 2.579 -10.368 198 H GLY 29 H GLY 29 1.136 -0.360 -5.634 199 1HA GLY 29 1HA GLY 29 -1.309 -1.562 -6.811 200 2HA GLY 29 2HA GLY 29 -0.850 -2.081 -5.191 201 H ASN 30 H ASN 30 -3.267 -0.898 -5.362 202 HA ASN 30 HA ASN 30 -2.805 1.895 -4.352 203 1HB ASN 30 1HB ASN 30 -5.194 0.702 -5.807 204 2HB ASN 30 2HB ASN 30 -5.071 2.370 -5.244 205 1HD2 ASN 30 2HD2 ASN 30 -4.228 0.205 -7.830 206 2HD2 ASN 30 1HD2 ASN 30 -3.315 1.313 -8.737 207 H CYS 31 H CYS 31 -3.364 2.155 -2.244 208 HA CYS 31 HA CYS 31 -4.608 -0.013 -0.728 209 1HB CYS 31 1HB CYS 31 -2.765 1.640 -0.039 210 2HB CYS 31 2HB CYS 31 -4.051 2.835 0.135 211 H SER 32 H SER 32 -6.643 0.229 0.475 212 HA SER 32 HA SER 32 -8.411 2.488 0.087 213 1HB SER 32 1HB SER 32 -8.585 1.714 -2.164 214 2HB SER 32 2HB SER 32 -8.690 0.031 -1.659 215 HG SER 32 HG SER 32 -10.764 0.334 -1.644
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