NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type |
4852 | 1fwo | 4645 | cing | recoord | dress | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ASP 1 1H ASP 1 -13.227 7.115 0.721 2 2H ASP 1 2H ASP 1 -12.114 8.146 1.488 3 3H ASP 1 3H ASP 1 -12.666 6.749 2.280 4 HA ASP 1 HA ASP 1 -11.573 5.352 0.605 5 1HB ASP 1 2HB ASP 1 -10.127 6.585 -1.027 6 2HB ASP 1 1HB ASP 1 -11.839 6.966 -1.215 7 H HIS 2 H HIS 2 -9.273 4.801 0.878 8 HA HIS 2 HA HIS 2 -8.102 6.100 3.292 9 1HB HIS 2 2HB HIS 2 -8.643 3.533 2.801 10 2HB HIS 2 1HB HIS 2 -7.063 3.592 2.025 11 HD1 HIS 2 HD1 HIS 2 -7.045 5.979 4.736 12 HD2 HIS 2 HD2 HIS 2 -6.541 1.849 4.458 13 HE1 HIS 2 HE1 HIS 2 -5.912 5.252 6.875 14 H VAL 3 H VAL 3 -5.448 5.575 3.041 15 HA VAL 3 HA VAL 3 -4.373 6.170 0.402 16 HB VAL 3 HB VAL 3 -5.420 8.318 0.963 17 1HG1 VAL 3 1HG1 VAL 3 -5.071 7.743 3.524 18 2HG1 VAL 3 2HG1 VAL 3 -5.128 9.421 2.985 19 3HG1 VAL 3 3HG1 VAL 3 -3.574 8.649 3.300 20 1HG2 VAL 3 1HG2 VAL 3 -2.715 9.203 1.518 21 2HG2 VAL 3 2HG2 VAL 3 -3.659 9.381 0.039 22 3HG2 VAL 3 3HG2 VAL 3 -2.711 7.919 0.309 23 H CYS 4 H CYS 4 -2.872 4.497 0.928 24 HA CYS 4 HA CYS 4 -1.237 4.709 3.375 25 1HB CYS 4 2HB CYS 4 -1.616 2.802 1.085 26 2HB CYS 4 1HB CYS 4 -0.169 2.661 2.082 27 H ASP 5 H ASP 5 0.937 5.341 3.399 28 HA ASP 5 HA ASP 5 2.883 6.450 2.644 29 1HB ASP 5 2HB ASP 5 3.168 4.316 1.520 30 2HB ASP 5 1HB ASP 5 2.057 4.797 0.238 31 H ASP 6 H ASP 6 1.649 6.431 -0.628 32 HA ASP 6 HA ASP 6 0.619 9.204 -0.411 33 1HB ASP 6 2HB ASP 6 3.193 8.314 -1.666 34 2HB ASP 6 1HB ASP 6 2.302 9.631 -2.430 35 H ASN 7 H ASN 7 1.898 7.692 -3.325 36 HA ASN 7 HA ASN 7 -0.572 7.988 -4.774 37 1HB ASN 7 2HB ASN 7 0.712 6.555 -6.437 38 2HB ASN 7 1HB ASN 7 1.571 7.994 -5.887 39 1HD2 ASN 7 1HD2 ASN 7 1.556 4.481 -5.810 40 2HD2 ASN 7 2HD2 ASN 7 3.025 4.304 -4.978 41 H PHE 8 H PHE 8 -1.973 6.829 -3.107 42 HA PHE 8 HA PHE 8 -2.550 4.121 -3.996 43 1HB PHE 8 2HB PHE 8 -0.495 3.863 -2.576 44 2HB PHE 8 1HB PHE 8 -1.399 4.526 -1.215 45 HD1 PHE 8 HD1 PHE 8 -0.698 1.576 -3.181 46 HD2 PHE 8 HD2 PHE 8 -3.514 3.330 -0.452 47 HE1 PHE 8 HE1 PHE 8 -1.632 -0.671 -2.701 48 HE2 PHE 8 HE2 PHE 8 -4.449 1.083 0.026 49 HZ PHE 8 HZ PHE 8 -3.508 -0.917 -1.097 50 H SER 9 H SER 9 -4.537 3.321 -2.970 51 HA SER 9 HA SER 9 -5.864 4.798 -0.858 52 1HB SER 9 2HB SER 9 -7.379 6.083 -2.153 53 2HB SER 9 1HB SER 9 -5.830 6.303 -2.963 54 HG SER 9 HG SER 9 -7.977 5.512 -4.090 55 H CYS 10 H CYS 10 -7.806 3.760 -0.227 56 HA CYS 10 HA CYS 10 -8.993 1.652 -1.905 57 1HB CYS 10 2HB CYS 10 -6.901 1.166 0.038 58 2HB CYS 10 1HB CYS 10 -8.383 0.346 0.531 59 HA PRO 11 HA PRO 11 -12.288 3.328 0.589 60 1HB PRO 11 2HB PRO 11 -14.293 1.819 -0.512 61 2HB PRO 11 1HB PRO 11 -13.601 3.244 -1.314 62 1HG PRO 11 2HG PRO 11 -13.051 0.355 -1.781 63 2HG PRO 11 1HG PRO 11 -13.200 1.678 -2.948 64 1HD PRO 11 2HD PRO 11 -10.807 0.663 -2.145 65 2HD PRO 11 1HD PRO 11 -11.025 2.349 -2.665 66 H ALA 12 H ALA 12 -10.815 1.709 2.129 67 HA ALA 12 HA ALA 12 -10.857 0.001 3.774 68 1HB ALA 12 1HB ALA 12 -12.392 1.429 4.832 69 2HB ALA 12 2HB ALA 12 -13.295 -0.083 4.740 70 3HB ALA 12 3HB ALA 12 -13.608 1.203 3.575 71 H GLY 13 H GLY 13 -11.507 -0.764 0.863 72 1HA GLY 13 2HA GLY 13 -13.136 -3.205 1.408 73 2HA GLY 13 1HA GLY 13 -12.878 -2.508 -0.194 74 H SER 14 H SER 14 -10.079 -2.456 1.723 75 HA SER 14 HA SER 14 -9.099 -5.137 1.155 76 1HB SER 14 2HB SER 14 -8.615 -2.824 -0.693 77 2HB SER 14 1HB SER 14 -7.324 -4.001 -0.467 78 HG SER 14 HG SER 14 -9.917 -4.943 -0.906 79 H THR 15 H THR 15 -6.364 -4.600 1.071 80 HA THR 15 HA THR 15 -5.846 -2.792 3.397 81 HB THR 15 HB THR 15 -4.265 -4.814 4.065 82 HG1 THR 15 HG1 THR 15 -4.579 -6.352 2.663 83 1HG2 THR 15 1HG2 THR 15 -6.497 -3.810 5.100 84 2HG2 THR 15 2HG2 THR 15 -5.818 -5.326 5.694 85 3HG2 THR 15 3HG2 THR 15 -7.163 -5.349 4.554 86 H CYS 16 H CYS 16 -3.611 -2.070 3.500 87 HA CYS 16 HA CYS 16 -2.350 -1.822 0.875 88 1HB CYS 16 2HB CYS 16 -1.582 -0.943 3.676 89 2HB CYS 16 1HB CYS 16 -0.747 -0.432 2.210 90 H SER 17 H SER 17 -1.434 -3.791 0.213 91 HA SER 17 HA SER 17 -0.246 -5.819 1.697 92 1HB SER 17 2HB SER 17 0.598 -4.589 -0.946 93 2HB SER 17 1HB SER 17 1.128 -6.169 -0.377 94 HG SER 17 HG SER 17 -0.655 -6.525 -1.619 95 H SER 18 H SER 18 1.291 -2.801 0.580 96 HA SER 18 HA SER 18 3.214 -1.685 1.364 97 1HB SER 18 2HB SER 18 1.834 -2.338 3.499 98 2HB SER 18 1HB SER 18 3.120 -3.516 3.751 99 HG SER 18 HG SER 18 4.574 -1.894 3.931 100 H ALA 19 H ALA 19 5.079 -2.167 0.297 101 HA ALA 19 HA ALA 19 6.496 -4.707 0.993 102 1HB ALA 19 1HB ALA 19 6.808 -5.195 -1.318 103 2HB ALA 19 2HB ALA 19 6.327 -3.570 -1.805 104 3HB ALA 19 3HB ALA 19 5.119 -4.701 -1.195 105 H PHE 20 H PHE 20 8.821 -4.445 -0.258 106 HA PHE 20 HA PHE 20 10.877 -3.268 -0.203 107 1HB PHE 20 2HB PHE 20 8.740 -1.560 -1.253 108 2HB PHE 20 1HB PHE 20 10.072 -0.627 -0.571 109 HD1 PHE 20 HD1 PHE 20 12.060 -0.329 -1.790 110 HD2 PHE 20 HD2 PHE 20 9.348 -3.473 -2.892 111 HE1 PHE 20 HE1 PHE 20 13.419 -0.793 -3.812 112 HE2 PHE 20 HE2 PHE 20 10.708 -3.937 -4.914 113 HZ PHE 20 HZ PHE 20 12.744 -2.597 -5.374 114 H GLY 21 H GLY 21 10.387 -3.839 2.312 115 1HA GLY 21 2HA GLY 21 10.368 -1.253 3.818 116 2HA GLY 21 1HA GLY 21 9.827 -2.788 4.499 117 H PHE 22 H PHE 22 12.627 -2.934 2.496 118 HA PHE 22 HA PHE 22 14.293 -3.473 4.914 119 1HB PHE 22 2HB PHE 22 15.600 -4.809 3.423 120 2HB PHE 22 1HB PHE 22 13.926 -5.094 2.948 121 HD1 PHE 22 HD1 PHE 22 13.011 -4.109 0.885 122 HD2 PHE 22 HD2 PHE 22 17.108 -3.511 2.026 123 HE1 PHE 22 HE1 PHE 22 13.527 -3.289 -1.398 124 HE2 PHE 22 HE2 PHE 22 17.625 -2.692 -0.256 125 HZ PHE 22 HZ PHE 22 15.835 -2.580 -1.968 126 H ARG 23 H ARG 23 13.592 -0.828 3.180 127 HA ARG 23 HA ARG 23 15.818 0.736 3.938 128 1HB ARG 23 2HB ARG 23 16.351 -1.108 1.822 129 2HB ARG 23 1HB ARG 23 16.379 0.514 1.133 130 1HG ARG 23 2HG ARG 23 17.813 1.091 3.258 131 2HG ARG 23 1HG ARG 23 18.105 -0.648 3.299 132 1HD ARG 23 2HD ARG 23 19.804 -0.158 1.841 133 2HD ARG 23 1HD ARG 23 18.507 -0.074 0.632 134 HE ARG 23 HE ARG 23 18.887 2.397 2.170 135 1HH1 ARG 23 2HH1 ARG 23 17.777 2.285 -0.613 136 2HH1 ARG 23 1HH1 ARG 23 19.104 2.878 -1.555 137 1HH2 ARG 23 1HH2 ARG 23 21.444 2.414 0.961 138 2HH2 ARG 23 2HH2 ARG 23 21.180 2.950 -0.665 139 H ASN 24 H ASN 24 13.254 0.108 1.636 140 HA ASN 24 HA ASN 24 11.704 1.550 0.612 141 1HB ASN 24 2HB ASN 24 12.846 3.427 2.708 142 2HB ASN 24 1HB ASN 24 11.332 3.668 1.838 143 1HD2 ASN 24 1HD2 ASN 24 9.589 3.078 3.125 144 2HD2 ASN 24 2HD2 ASN 24 9.567 1.765 4.201 145 H LEU 25 H LEU 25 13.120 1.488 -1.330 146 HA LEU 25 HA LEU 25 14.467 4.127 -1.820 147 1HB LEU 25 2HB LEU 25 15.779 2.671 -3.521 148 2HB LEU 25 1HB LEU 25 16.152 2.448 -1.812 149 HG LEU 25 HG LEU 25 13.947 0.774 -2.880 150 1HD1 LEU 25 1HD1 LEU 25 15.150 0.074 -4.672 151 2HD1 LEU 25 2HD1 LEU 25 16.160 -0.761 -3.492 152 3HD1 LEU 25 3HD1 LEU 25 16.629 0.833 -4.082 153 1HD2 LEU 25 1HD2 LEU 25 15.576 0.885 -0.609 154 2HD2 LEU 25 2HD2 LEU 25 16.177 -0.509 -1.506 155 3HD2 LEU 25 3HD2 LEU 25 14.478 -0.427 -1.039 156 H SER 26 H SER 26 11.669 2.709 -2.357 157 HA SER 26 HA SER 26 11.029 4.155 -4.763 158 1HB SER 26 2HB SER 26 12.509 1.900 -5.232 159 2HB SER 26 1HB SER 26 10.874 1.256 -5.344 160 HG SER 26 HG SER 26 10.578 3.299 -6.701 161 H LEU 27 H LEU 27 10.298 1.478 -2.572 162 HA LEU 27 HA LEU 27 8.251 0.748 -1.653 163 1HB LEU 27 2HB LEU 27 7.845 3.635 -2.407 164 2HB LEU 27 1HB LEU 27 6.504 2.708 -1.733 165 HG LEU 27 HG LEU 27 7.813 3.916 0.018 166 1HD1 LEU 27 1HD1 LEU 27 7.110 2.235 1.339 167 2HD1 LEU 27 2HD1 LEU 27 8.530 1.289 0.891 168 3HD1 LEU 27 3HD1 LEU 27 7.049 1.162 -0.059 169 1HD2 LEU 27 1HD2 LEU 27 10.022 1.988 -0.769 170 2HD2 LEU 27 2HD2 LEU 27 10.087 3.191 0.519 171 3HD2 LEU 27 3HD2 LEU 27 10.014 3.706 -1.167 172 H VAL 28 H VAL 28 7.274 -0.844 -2.851 173 HA VAL 28 HA VAL 28 5.471 -0.012 -5.072 174 HB VAL 28 HB VAL 28 7.702 -0.567 -6.011 175 1HG1 VAL 28 1HG1 VAL 28 7.476 -3.438 -5.416 176 2HG1 VAL 28 2HG1 VAL 28 7.781 -2.445 -3.991 177 3HG1 VAL 28 3HG1 VAL 28 8.891 -2.386 -5.360 178 1HG2 VAL 28 1HG2 VAL 28 5.372 -1.272 -7.035 179 2HG2 VAL 28 2HG2 VAL 28 5.936 -2.904 -6.677 180 3HG2 VAL 28 3HG2 VAL 28 6.866 -1.868 -7.759 181 H TRP 29 H TRP 29 3.554 -0.775 -4.225 182 HA TRP 29 HA TRP 29 3.309 -3.679 -3.734 183 1HB TRP 29 2HB TRP 29 2.033 -2.830 -1.506 184 2HB TRP 29 1HB TRP 29 3.741 -3.254 -1.509 185 HD1 TRP 29 HD1 TRP 29 5.483 -1.153 -1.854 186 HE1 TRP 29 HE1 TRP 29 5.293 1.273 -1.006 187 HE3 TRP 29 HE3 TRP 29 0.468 -0.939 -0.918 188 HZ2 TRP 29 HZ2 TRP 29 3.279 3.068 -0.057 189 HZ3 TRP 29 HZ3 TRP 29 -0.560 1.138 -0.043 190 HH2 TRP 29 HH2 TRP 29 0.839 3.142 0.388 191 H GLY 30 H GLY 30 0.717 -3.575 -2.566 192 1HA GLY 30 2HA GLY 30 -0.934 -1.788 -4.215 193 2HA GLY 30 1HA GLY 30 -1.043 -3.494 -4.648 194 H CYS 31 H CYS 31 -3.378 -2.910 -3.962 195 HA CYS 31 HA CYS 31 -3.760 -2.981 -1.010 196 1HB CYS 31 2HB CYS 31 -4.942 -1.588 -3.067 197 2HB CYS 31 1HB CYS 31 -6.082 -2.913 -2.833 198 H SER 32 H SER 32 -4.779 -4.757 -0.003 199 HA SER 32 HA SER 32 -5.214 -7.164 -1.740 200 1HB SER 32 2HB SER 32 -3.529 -6.788 0.383 201 2HB SER 32 1HB SER 32 -4.946 -7.446 1.195 202 HG SER 32 HG SER 32 -4.211 -9.290 0.503 203 HA PRO 33 HA PRO 33 -9.468 -6.829 -0.597 204 1HB PRO 33 2HB PRO 33 -10.265 -9.314 -1.419 205 2HB PRO 33 1HB PRO 33 -9.925 -7.986 -2.546 206 1HG PRO 33 2HG PRO 33 -8.239 -10.320 -1.809 207 2HG PRO 33 1HG PRO 33 -8.437 -9.518 -3.374 208 1HD PRO 33 2HD PRO 33 -6.286 -9.140 -1.719 209 2HD PRO 33 1HD PRO 33 -6.844 -7.949 -2.914 210 H VAL 34 H VAL 34 -10.088 -6.986 1.527 211 HA VAL 34 HA VAL 34 -8.989 -8.829 3.423 212 HB VAL 34 HB VAL 34 -10.066 -6.579 3.819 213 1HG1 VAL 34 1HG1 VAL 34 -12.701 -8.030 3.767 214 2HG1 VAL 34 2HG1 VAL 34 -12.063 -7.312 2.289 215 3HG1 VAL 34 3HG1 VAL 34 -12.389 -6.296 3.692 216 1HG2 VAL 34 1HG2 VAL 34 -10.319 -7.215 5.975 217 2HG2 VAL 34 2HG2 VAL 34 -10.037 -8.866 5.422 218 3HG2 VAL 34 3HG2 VAL 34 -11.685 -8.256 5.577 219 H GLU 35 HN GLU 35 -11.690 -9.072 1.207 220 HA GLU 35 HA GLU 35 -12.074 -11.902 1.962 221 1HB GLU 35 2HB GLU 35 -13.536 -9.915 3.223 222 2HB GLU 35 1HB GLU 35 -14.612 -10.421 1.920 223 1HG GLU 35 2HG GLU 35 -15.214 -12.068 3.373 224 2HG GLU 35 1HG GLU 35 -13.726 -12.841 2.825 Start of MODEL 2 1 1H ASP 1 1H ASP 1 -12.592 5.453 1.962 2 2H ASP 1 2H ASP 1 -12.971 5.211 0.324 3 3H ASP 1 3H ASP 1 -12.940 6.783 0.969 4 HA ASP 1 HA ASP 1 -10.716 5.065 0.151 5 1HB ASP 1 2HB ASP 1 -9.970 7.227 -0.697 6 2HB ASP 1 1HB ASP 1 -11.671 7.014 -1.112 7 H HIS 2 H HIS 2 -8.777 5.003 1.294 8 HA HIS 2 HA HIS 2 -8.699 6.502 3.894 9 1HB HIS 2 2HB HIS 2 -8.233 3.679 3.106 10 2HB HIS 2 1HB HIS 2 -7.086 4.342 4.271 11 HD1 HIS 2 HD1 HIS 2 -7.877 4.594 6.652 12 HD2 HIS 2 HD2 HIS 2 -11.030 3.890 4.016 13 HE1 HIS 2 HE1 HIS 2 -9.941 4.244 8.079 14 H VAL 3 H VAL 3 -7.239 6.075 0.862 15 HA VAL 3 HA VAL 3 -5.195 6.853 -0.035 16 HB VAL 3 HB VAL 3 -5.634 8.453 2.483 17 1HG1 VAL 3 1HG1 VAL 3 -3.182 8.257 0.836 18 2HG1 VAL 3 2HG1 VAL 3 -3.384 8.831 2.492 19 3HG1 VAL 3 3HG1 VAL 3 -3.757 9.897 1.136 20 1HG2 VAL 3 1HG2 VAL 3 -7.040 9.373 0.933 21 2HG2 VAL 3 2HG2 VAL 3 -6.145 8.692 -0.425 22 3HG2 VAL 3 3HG2 VAL 3 -5.572 10.164 0.360 23 H CYS 4 H CYS 4 -3.510 5.416 -0.077 24 HA CYS 4 HA CYS 4 -2.296 4.587 2.535 25 1HB CYS 4 2HB CYS 4 -3.013 3.259 -0.012 26 2HB CYS 4 1HB CYS 4 -1.468 2.762 0.678 27 H ASP 5 H ASP 5 -0.608 6.056 2.788 28 HA ASP 5 HA ASP 5 1.391 7.223 2.291 29 1HB ASP 5 2HB ASP 5 1.784 4.624 2.325 30 2HB ASP 5 1HB ASP 5 2.044 4.829 0.592 31 H ASP 6 H ASP 6 -0.627 8.129 0.595 32 HA ASP 6 HA ASP 6 -0.966 9.187 -1.492 33 1HB ASP 6 2HB ASP 6 1.682 9.541 -0.535 34 2HB ASP 6 1HB ASP 6 1.808 9.286 -2.276 35 H ASN 7 H ASN 7 -0.118 8.988 -3.945 36 HA ASN 7 HA ASN 7 -0.276 7.542 -5.824 37 1HB ASN 7 2HB ASN 7 2.130 7.576 -5.069 38 2HB ASN 7 1HB ASN 7 1.808 6.097 -4.162 39 1HD2 ASN 7 1HD2 ASN 7 2.063 4.165 -5.301 40 2HD2 ASN 7 2HD2 ASN 7 2.137 4.041 -6.992 41 H PHE 8 H PHE 8 -2.004 6.867 -3.413 42 HA PHE 8 HA PHE 8 -2.977 4.304 -4.366 43 1HB PHE 8 2HB PHE 8 -0.965 4.483 -2.224 44 2HB PHE 8 1HB PHE 8 -2.383 3.533 -1.782 45 HD1 PHE 8 HD1 PHE 8 0.694 2.844 -2.604 46 HD2 PHE 8 HD2 PHE 8 -3.165 2.440 -4.444 47 HE1 PHE 8 HE1 PHE 8 1.538 0.946 -3.957 48 HE2 PHE 8 HE2 PHE 8 -2.321 0.542 -5.800 49 HZ PHE 8 HZ PHE 8 0.032 -0.206 -5.555 50 H SER 9 H SER 9 -4.910 3.640 -3.156 51 HA SER 9 HA SER 9 -5.951 5.707 -1.258 52 1HB SER 9 2HB SER 9 -8.124 5.499 -2.488 53 2HB SER 9 1HB SER 9 -6.832 6.145 -3.494 54 HG SER 9 HG SER 9 -6.899 4.402 -4.681 55 H CYS 10 H CYS 10 -7.678 2.973 -2.639 56 HA CYS 10 HA CYS 10 -8.593 1.046 -1.626 57 1HB CYS 10 2HB CYS 10 -6.009 1.452 -0.094 58 2HB CYS 10 1HB CYS 10 -7.000 0.000 0.041 59 HA PRO 11 HA PRO 11 -10.723 3.124 1.718 60 1HB PRO 11 2HB PRO 11 -12.850 1.402 1.790 61 2HB PRO 11 1HB PRO 11 -12.697 2.698 0.586 62 1HG PRO 11 2HG PRO 11 -12.147 -0.213 0.314 63 2HG PRO 11 1HG PRO 11 -12.863 0.917 -0.848 64 1HD PRO 11 2HD PRO 11 -10.268 0.065 -0.959 65 2HD PRO 11 1HD PRO 11 -10.828 1.618 -1.616 66 H ALA 12 H ALA 12 -12.204 1.578 3.560 67 HA ALA 12 HA ALA 12 -10.114 0.533 5.251 68 1HB ALA 12 1HB ALA 12 -12.819 1.325 5.405 69 2HB ALA 12 2HB ALA 12 -11.783 0.837 6.745 70 3HB ALA 12 3HB ALA 12 -12.788 -0.359 5.927 71 H GLY 13 H GLY 13 -12.230 -0.895 2.858 72 1HA GLY 13 2HA GLY 13 -12.024 -3.623 3.761 73 2HA GLY 13 1HA GLY 13 -12.488 -3.117 2.136 74 H SER 14 H SER 14 -10.574 -2.261 0.782 75 HA SER 14 HA SER 14 -8.713 -4.186 0.172 76 1HB SER 14 2HB SER 14 -8.953 -1.269 -0.094 77 2HB SER 14 1HB SER 14 -7.288 -1.840 -0.181 78 HG SER 14 HG SER 14 -8.178 -1.945 -2.225 79 H THR 15 H THR 15 -6.361 -4.366 0.661 80 HA THR 15 HA THR 15 -5.726 -3.535 3.477 81 HB THR 15 HB THR 15 -6.320 -5.953 3.094 82 HG1 THR 15 HG1 THR 15 -4.835 -6.510 4.500 83 1HG2 THR 15 1HG2 THR 15 -5.078 -7.318 1.670 84 2HG2 THR 15 2HG2 THR 15 -3.691 -6.228 1.673 85 3HG2 THR 15 3HG2 THR 15 -5.138 -5.811 0.754 86 H CYS 16 H CYS 16 -3.896 -2.292 3.590 87 HA CYS 16 HA CYS 16 -2.068 -2.201 1.238 88 1HB CYS 16 2HB CYS 16 -2.700 -0.457 3.614 89 2HB CYS 16 1HB CYS 16 -1.214 -0.199 2.699 90 H SER 17 H SER 17 -0.483 -3.769 1.425 91 HA SER 17 HA SER 17 0.593 -4.452 4.107 92 1HB SER 17 2HB SER 17 -0.090 -5.868 1.842 93 2HB SER 17 1HB SER 17 1.663 -5.773 1.708 94 HG SER 17 HG SER 17 0.282 -6.546 4.064 95 H SER 18 H SER 18 1.613 -2.948 1.061 96 HA SER 18 HA SER 18 3.553 -1.664 0.605 97 1HB SER 18 2HB SER 18 4.306 -0.476 2.428 98 2HB SER 18 1HB SER 18 2.904 -1.208 3.203 99 HG SER 18 HG SER 18 4.230 -2.271 4.424 100 H ALA 19 H ALA 19 5.210 -2.694 -0.488 101 HA ALA 19 HA ALA 19 6.985 -4.554 0.984 102 1HB ALA 19 1HB ALA 19 4.837 -5.668 -0.039 103 2HB ALA 19 2HB ALA 19 6.401 -6.454 -0.255 104 3HB ALA 19 3HB ALA 19 5.705 -5.501 -1.566 105 H PHE 20 H PHE 20 8.168 -5.681 -1.352 106 HA PHE 20 HA PHE 20 9.179 -3.292 -2.844 107 1HB PHE 20 2HB PHE 20 10.804 -5.521 -1.581 108 2HB PHE 20 1HB PHE 20 11.457 -4.156 -2.486 109 HD1 PHE 20 HD1 PHE 20 10.257 -5.316 0.723 110 HD2 PHE 20 HD2 PHE 20 11.066 -1.804 -1.616 111 HE1 PHE 20 HE1 PHE 20 10.271 -3.943 2.789 112 HE2 PHE 20 HE2 PHE 20 11.079 -0.432 0.452 113 HZ PHE 20 HZ PHE 20 10.682 -1.502 2.652 114 H GLY 21 H GLY 21 11.085 -5.957 -3.512 115 1HA GLY 21 2HA GLY 21 9.264 -7.264 -5.408 116 2HA GLY 21 1HA GLY 21 10.542 -6.303 -6.154 117 H PHE 22 H PHE 22 12.274 -7.519 -6.710 118 HA PHE 22 HA PHE 22 12.756 -10.101 -5.325 119 1HB PHE 22 2HB PHE 22 14.305 -10.415 -7.261 120 2HB PHE 22 1HB PHE 22 12.669 -10.002 -7.773 121 HD1 PHE 22 HD1 PHE 22 12.215 -8.002 -8.981 122 HD2 PHE 22 HD2 PHE 22 16.063 -8.597 -7.166 123 HE1 PHE 22 HE1 PHE 22 13.087 -6.009 -10.173 124 HE2 PHE 22 HE2 PHE 22 16.934 -6.605 -8.359 125 HZ PHE 22 HZ PHE 22 15.445 -5.311 -9.862 126 H ARG 23 H ARG 23 13.621 -7.016 -4.679 127 HA ARG 23 HA ARG 23 15.986 -7.798 -3.155 128 1HB ARG 23 2HB ARG 23 16.734 -7.589 -5.574 129 2HB ARG 23 1HB ARG 23 16.325 -5.876 -5.476 130 1HG ARG 23 2HG ARG 23 18.045 -5.407 -3.987 131 2HG ARG 23 1HG ARG 23 18.099 -7.059 -3.369 132 1HD ARG 23 2HD ARG 23 20.080 -6.609 -4.780 133 2HD ARG 23 1HD ARG 23 19.039 -7.812 -5.567 134 HE ARG 23 HE ARG 23 18.026 -5.794 -6.806 135 1HH1 ARG 23 1HH2 ARG 23 20.487 -4.529 -5.035 136 2HH1 ARG 23 2HH2 ARG 23 21.427 -3.944 -6.368 137 1HH2 ARG 23 2HH1 ARG 23 19.554 -5.610 -8.763 138 2HH2 ARG 23 1HH1 ARG 23 20.898 -4.556 -8.477 139 H ASN 24 H ASN 24 14.506 -4.922 -4.706 140 HA ASN 24 HA ASN 24 13.653 -3.773 -2.200 141 1HB ASN 24 2HB ASN 24 15.410 -1.820 -2.504 142 2HB ASN 24 1HB ASN 24 15.873 -3.295 -1.657 143 1HD2 ASN 24 1HD2 ASN 24 18.134 -3.099 -2.287 144 2HD2 ASN 24 2HD2 ASN 24 18.636 -3.348 -3.890 145 H LEU 25 H LEU 25 15.117 -2.300 -5.130 146 HA LEU 25 HA LEU 25 14.179 -0.664 -6.575 147 1HB LEU 25 2HB LEU 25 12.466 -3.091 -6.373 148 2HB LEU 25 1HB LEU 25 11.767 -1.710 -7.220 149 HG LEU 25 HG LEU 25 13.082 -3.342 -8.672 150 1HD1 LEU 25 1HD1 LEU 25 12.641 -1.194 -9.589 151 2HD1 LEU 25 2HD1 LEU 25 14.378 -1.424 -9.791 152 3HD1 LEU 25 3HD1 LEU 25 13.770 -0.405 -8.486 153 1HD2 LEU 25 1HD2 LEU 25 15.481 -3.309 -8.551 154 2HD2 LEU 25 2HD2 LEU 25 14.901 -3.609 -6.912 155 3HD2 LEU 25 3HD2 LEU 25 15.465 -2.001 -7.367 156 H SER 26 H SER 26 13.752 -0.085 -3.731 157 HA SER 26 HA SER 26 12.502 1.491 -2.479 158 1HB SER 26 2HB SER 26 10.840 1.882 -4.964 159 2HB SER 26 1HB SER 26 11.301 3.075 -3.754 160 HG SER 26 HG SER 26 13.418 2.953 -4.510 161 H LEU 27 H LEU 27 10.196 1.789 -1.655 162 HA LEU 27 HA LEU 27 8.958 -0.553 -0.845 163 1HB LEU 27 2HB LEU 27 8.092 2.265 -1.349 164 2HB LEU 27 1HB LEU 27 6.843 1.082 -0.965 165 HG LEU 27 HG LEU 27 9.286 1.051 0.737 166 1HD1 LEU 27 1HD1 LEU 27 8.568 2.924 2.080 167 2HD1 LEU 27 2HD1 LEU 27 7.114 3.135 1.104 168 3HD1 LEU 27 3HD1 LEU 27 8.699 3.489 0.415 169 1HD2 LEU 27 1HD2 LEU 27 6.390 0.391 0.883 170 2HD2 LEU 27 2HD2 LEU 27 7.127 0.977 2.375 171 3HD2 LEU 27 3HD2 LEU 27 7.773 -0.455 1.576 172 H VAL 28 H VAL 28 6.875 1.286 -2.976 173 HA VAL 28 HA VAL 28 5.633 0.640 -4.880 174 HB VAL 28 HB VAL 28 7.918 -1.330 -5.213 175 1HG1 VAL 28 1HG1 VAL 28 7.006 -1.761 -7.225 176 2HG1 VAL 28 2HG1 VAL 28 6.921 -0.040 -7.603 177 3HG1 VAL 28 3HG1 VAL 28 5.599 -0.819 -6.735 178 1HG2 VAL 28 1HG2 VAL 28 9.241 0.375 -6.115 179 2HG2 VAL 28 2HG2 VAL 28 8.444 1.219 -4.789 180 3HG2 VAL 28 3HG2 VAL 28 7.855 1.415 -6.440 181 H TRP 29 H TRP 29 3.764 -0.402 -4.254 182 HA TRP 29 HA TRP 29 3.850 -3.358 -4.016 183 1HB TRP 29 2HB TRP 29 2.172 -2.778 -1.947 184 2HB TRP 29 1HB TRP 29 3.887 -3.110 -1.744 185 HD1 TRP 29 HD1 TRP 29 5.505 -0.814 -1.867 186 HE1 TRP 29 HE1 TRP 29 5.047 1.488 -0.800 187 HE3 TRP 29 HE3 TRP 29 0.453 -1.140 -1.188 188 HZ2 TRP 29 HZ2 TRP 29 2.839 2.990 0.210 189 HZ3 TRP 29 HZ3 TRP 29 -0.798 0.738 -0.166 190 HH2 TRP 29 HH2 TRP 29 0.388 2.803 0.531 191 H GLY 30 H GLY 30 1.181 -3.733 -3.240 192 1HA GLY 30 2HA GLY 30 -0.347 -2.230 -5.326 193 2HA GLY 30 1HA GLY 30 -0.473 -3.983 -5.202 194 H CYS 31 H CYS 31 -2.588 -4.220 -4.535 195 HA CYS 31 HA CYS 31 -3.251 -3.593 -1.768 196 1HB CYS 31 2HB CYS 31 -3.436 -1.451 -3.303 197 2HB CYS 31 1HB CYS 31 -4.947 -2.195 -3.821 198 H SER 32 H SER 32 -4.943 -4.958 -1.112 199 HA SER 32 HA SER 32 -6.607 -6.239 -3.245 200 1HB SER 32 2HB SER 32 -5.162 -7.688 -1.007 201 2HB SER 32 1HB SER 32 -6.098 -8.427 -2.302 202 HG SER 32 HG SER 32 -4.483 -7.062 -3.635 203 HA PRO 33 HA PRO 33 -9.827 -5.661 -0.308 204 1HB PRO 33 2HB PRO 33 -11.569 -7.603 -1.127 205 2HB PRO 33 1HB PRO 33 -11.289 -6.109 -2.042 206 1HG PRO 33 2HG PRO 33 -10.254 -8.846 -2.530 207 2HG PRO 33 1HG PRO 33 -10.729 -7.595 -3.686 208 1HD PRO 33 2HD PRO 33 -8.126 -8.200 -3.018 209 2HD PRO 33 1HD PRO 33 -8.660 -6.645 -3.691 210 H VAL 34 H VAL 34 -8.159 -6.607 1.325 211 HA VAL 34 HA VAL 34 -7.576 -8.192 2.996 212 HB VAL 34 HB VAL 34 -10.579 -8.575 2.985 213 1HG1 VAL 34 1HG1 VAL 34 -10.225 -9.473 5.020 214 2HG1 VAL 34 2HG1 VAL 34 -9.311 -8.054 5.529 215 3HG1 VAL 34 3HG1 VAL 34 -8.492 -9.382 4.709 216 1HG2 VAL 34 1HG2 VAL 34 -10.450 -6.476 4.517 217 2HG2 VAL 34 2HG2 VAL 34 -10.398 -6.234 2.770 218 3HG2 VAL 34 3HG2 VAL 34 -8.909 -6.171 3.713 219 H GLU 35 HN GLU 35 -7.209 -9.434 0.530 220 HA GLU 35 HA GLU 35 -7.090 -11.583 -0.451 221 1HB GLU 35 2HB GLU 35 -6.996 -11.753 2.402 222 2HB GLU 35 1HB GLU 35 -7.932 -13.129 1.811 223 1HG GLU 35 2HG GLU 35 -5.467 -12.506 0.286 224 2HG GLU 35 1HG GLU 35 -5.221 -13.117 1.922 Start of MODEL 3 1 1H ASP 1 1H ASP 1 -13.251 7.417 1.877 2 2H ASP 1 2H ASP 1 -12.429 8.701 1.128 3 3H ASP 1 3H ASP 1 -11.952 8.165 2.667 4 HA ASP 1 HA ASP 1 -11.824 5.909 1.087 5 1HB ASP 1 2HB ASP 1 -12.027 7.954 -0.635 6 2HB ASP 1 1HB ASP 1 -10.294 8.057 -0.321 7 H HIS 2 H HIS 2 -9.963 4.881 1.798 8 HA HIS 2 HA HIS 2 -8.219 6.323 3.674 9 1HB HIS 2 2HB HIS 2 -9.161 3.700 3.248 10 2HB HIS 2 1HB HIS 2 -7.419 3.622 2.980 11 HD1 HIS 2 HD1 HIS 2 -6.263 5.479 4.996 12 HD2 HIS 2 HD2 HIS 2 -9.536 3.062 5.905 13 HE1 HIS 2 HE1 HIS 2 -6.315 5.263 7.519 14 H VAL 3 H VAL 3 -5.892 6.434 3.418 15 HA VAL 3 HA VAL 3 -4.988 6.344 0.556 16 HB VAL 3 HB VAL 3 -3.733 7.975 2.768 17 1HG1 VAL 3 1HG1 VAL 3 -4.073 8.542 -0.188 18 2HG1 VAL 3 2HG1 VAL 3 -2.675 7.698 0.479 19 3HG1 VAL 3 3HG1 VAL 3 -3.003 9.367 0.945 20 1HG2 VAL 3 1HG2 VAL 3 -5.801 8.939 3.023 21 2HG2 VAL 3 2HG2 VAL 3 -6.375 8.364 1.458 22 3HG2 VAL 3 3HG2 VAL 3 -5.337 9.787 1.547 23 H CYS 4 H CYS 4 -3.889 4.402 0.377 24 HA CYS 4 HA CYS 4 -2.451 3.177 2.580 25 1HB CYS 4 2HB CYS 4 -3.233 2.642 -0.179 26 2HB CYS 4 1HB CYS 4 -1.616 2.032 0.175 27 H ASP 5 H ASP 5 -0.623 4.194 3.321 28 HA ASP 5 HA ASP 5 1.416 5.432 3.254 29 1HB ASP 5 2HB ASP 5 1.521 2.972 1.548 30 2HB ASP 5 1HB ASP 5 2.943 4.015 1.604 31 H ASP 6 H ASP 6 -0.420 6.830 1.627 32 HA ASP 6 HA ASP 6 -0.472 8.375 -0.167 33 1HB ASP 6 2HB ASP 6 1.774 8.702 1.206 34 2HB ASP 6 1HB ASP 6 2.516 8.102 -0.278 35 H ASN 7 H ASN 7 0.614 8.671 -2.512 36 HA ASN 7 HA ASN 7 1.013 7.732 -4.648 37 1HB ASN 7 2HB ASN 7 2.667 6.469 -2.979 38 2HB ASN 7 1HB ASN 7 1.617 5.102 -3.351 39 1HD2 ASN 7 1HD2 ASN 7 3.219 3.997 -4.663 40 2HD2 ASN 7 2HD2 ASN 7 3.712 4.601 -6.170 41 H PHE 8 H PHE 8 -0.303 5.098 -2.596 42 HA PHE 8 HA PHE 8 -2.424 4.686 -4.670 43 1HB PHE 8 2HB PHE 8 -0.610 2.935 -3.864 44 2HB PHE 8 1HB PHE 8 -1.720 2.727 -2.508 45 HD1 PHE 8 HD1 PHE 8 -4.152 2.160 -2.985 46 HD2 PHE 8 HD2 PHE 8 -1.090 1.994 -5.995 47 HE1 PHE 8 HE1 PHE 8 -5.615 0.739 -4.396 48 HE2 PHE 8 HE2 PHE 8 -2.554 0.572 -7.404 49 HZ PHE 8 HZ PHE 8 -4.816 -0.056 -6.605 50 H SER 9 H SER 9 -4.583 4.062 -3.793 51 HA SER 9 HA SER 9 -5.087 4.964 -0.991 52 1HB SER 9 2HB SER 9 -7.195 6.054 -2.266 53 2HB SER 9 1HB SER 9 -5.684 6.928 -2.038 54 HG SER 9 HG SER 9 -6.609 6.778 -4.254 55 H CYS 10 H CYS 10 -6.846 3.884 -0.023 56 HA CYS 10 HA CYS 10 -8.370 1.953 -1.728 57 1HB CYS 10 2HB CYS 10 -7.060 1.361 0.946 58 2HB CYS 10 1HB CYS 10 -7.907 0.207 -0.085 59 HA PRO 11 HA PRO 11 -11.803 3.391 0.591 60 1HB PRO 11 2HB PRO 11 -13.418 1.180 0.518 61 2HB PRO 11 1HB PRO 11 -13.141 2.227 -0.889 62 1HG PRO 11 2HG PRO 11 -11.930 -0.409 -0.227 63 2HG PRO 11 1HG PRO 11 -12.440 0.240 -1.793 64 1HD PRO 11 2HD PRO 11 -9.839 0.156 -0.968 65 2HD PRO 11 1HD PRO 11 -10.470 1.352 -2.121 66 H ALA 12 H ALA 12 -12.199 0.037 1.562 67 HA ALA 12 HA ALA 12 -10.935 0.446 4.195 68 1HB ALA 12 1HB ALA 12 -12.972 1.577 4.635 69 2HB ALA 12 2HB ALA 12 -13.254 -0.051 5.252 70 3HB ALA 12 3HB ALA 12 -13.911 0.425 3.687 71 H GLY 13 H GLY 13 -13.087 -1.544 2.172 72 1HA GLY 13 2HA GLY 13 -12.667 -3.975 3.671 73 2HA GLY 13 1HA GLY 13 -13.330 -3.879 2.039 74 H SER 14 H SER 14 -10.584 -2.200 1.723 75 HA SER 14 HA SER 14 -9.014 -4.645 0.981 76 1HB SER 14 2HB SER 14 -9.099 -1.831 -0.145 77 2HB SER 14 1HB SER 14 -7.995 -3.086 -0.704 78 HG SER 14 HG SER 14 -9.593 -3.657 -1.937 79 H THR 15 H THR 15 -6.603 -4.300 1.080 80 HA THR 15 HA THR 15 -5.641 -2.189 2.911 81 HB THR 15 HB THR 15 -5.900 -5.121 3.576 82 HG1 THR 15 HG1 THR 15 -7.309 -3.227 4.255 83 1HG2 THR 15 1HG2 THR 15 -3.649 -4.928 4.111 84 2HG2 THR 15 2HG2 THR 15 -4.391 -4.363 5.608 85 3HG2 THR 15 3HG2 THR 15 -3.771 -3.199 4.439 86 H CYS 16 H CYS 16 -3.365 -1.917 2.724 87 HA CYS 16 HA CYS 16 -2.074 -3.580 0.586 88 1HB CYS 16 2HB CYS 16 -0.684 -1.502 0.273 89 2HB CYS 16 1HB CYS 16 -2.405 -1.249 -0.019 90 H SER 17 H SER 17 0.401 -3.660 0.875 91 HA SER 17 HA SER 17 1.037 -4.041 3.784 92 1HB SER 17 2HB SER 17 0.834 -5.984 2.031 93 2HB SER 17 1HB SER 17 2.419 -5.429 1.500 94 HG SER 17 HG SER 17 1.933 -5.809 4.236 95 H SER 18 H SER 18 2.097 -2.670 0.722 96 HA SER 18 HA SER 18 3.883 -1.192 0.240 97 1HB SER 18 2HB SER 18 3.175 -0.882 3.114 98 2HB SER 18 1HB SER 18 4.707 -0.176 2.610 99 HG SER 18 HG SER 18 2.099 0.342 1.646 100 H ALA 19 H ALA 19 5.751 -2.223 -0.436 101 HA ALA 19 HA ALA 19 7.686 -3.112 1.614 102 1HB ALA 19 1HB ALA 19 7.810 -5.354 0.313 103 2HB ALA 19 2HB ALA 19 6.242 -4.894 -0.350 104 3HB ALA 19 3HB ALA 19 6.433 -5.115 1.391 105 H PHE 20 H PHE 20 9.594 -4.271 0.174 106 HA PHE 20 HA PHE 20 10.002 -2.817 -2.382 107 1HB PHE 20 2HB PHE 20 12.078 -2.626 -0.203 108 2HB PHE 20 1HB PHE 20 11.856 -1.585 -1.608 109 HD1 PHE 20 HD1 PHE 20 10.046 0.102 -1.657 110 HD2 PHE 20 HD2 PHE 20 10.773 -2.325 1.812 111 HE1 PHE 20 HE1 PHE 20 8.649 1.628 -0.290 112 HE2 PHE 20 HE2 PHE 20 9.377 -0.796 3.176 113 HZ PHE 20 HZ PHE 20 8.314 1.181 2.124 114 H GLY 21 H GLY 21 11.962 -4.604 0.036 115 1HA GLY 21 2HA GLY 21 12.287 -7.085 -0.784 116 2HA GLY 21 1HA GLY 21 13.016 -6.288 -2.178 117 H PHE 22 H PHE 22 15.010 -7.453 -1.518 118 HA PHE 22 HA PHE 22 16.340 -7.050 0.970 119 1HB PHE 22 2HB PHE 22 18.213 -7.987 -0.189 120 2HB PHE 22 1HB PHE 22 16.788 -8.700 -0.942 121 HD1 PHE 22 HD1 PHE 22 19.683 -6.555 -1.415 122 HD2 PHE 22 HD2 PHE 22 15.938 -7.782 -3.123 123 HE1 PHE 22 HE1 PHE 22 20.387 -5.644 -3.613 124 HE2 PHE 22 HE2 PHE 22 16.641 -6.872 -5.320 125 HZ PHE 22 HZ PHE 22 18.865 -5.802 -5.565 126 H ARG 23 H ARG 23 15.825 -4.892 -1.686 127 HA ARG 23 HA ARG 23 18.135 -3.169 -1.108 128 1HB ARG 23 2HB ARG 23 16.117 -3.548 -3.140 129 2HB ARG 23 1HB ARG 23 16.173 -1.848 -2.671 130 1HG ARG 23 2HG ARG 23 18.515 -1.699 -3.152 131 2HG ARG 23 1HG ARG 23 18.656 -3.448 -3.323 132 1HD ARG 23 2HD ARG 23 16.846 -3.117 -5.221 133 2HD ARG 23 1HD ARG 23 17.472 -1.455 -5.233 134 HE ARG 23 HE ARG 23 19.347 -3.780 -5.401 135 1HH1 ARG 23 2HH1 ARG 23 19.925 -0.695 -5.449 136 2HH1 ARG 23 1HH1 ARG 23 20.320 -0.503 -7.124 137 1HH2 ARG 23 1HH2 ARG 23 19.049 -3.594 -8.049 138 2HH2 ARG 23 2HH2 ARG 23 19.824 -2.145 -8.596 139 H ASN 24 H ASN 24 14.595 -3.023 -0.634 140 HA ASN 24 HA ASN 24 13.343 -1.812 0.971 141 1HB ASN 24 2HB ASN 24 15.842 -2.425 2.088 142 2HB ASN 24 1HB ASN 24 15.616 -0.705 2.414 143 1HD2 ASN 24 1HD2 ASN 24 14.583 -0.372 4.378 144 2HD2 ASN 24 2HD2 ASN 24 13.395 -1.383 5.044 145 H LEU 25 H LEU 25 14.096 -0.549 -1.511 146 HA LEU 25 HA LEU 25 13.847 2.278 -0.682 147 1HB LEU 25 2HB LEU 25 15.813 2.773 -2.315 148 2HB LEU 25 1HB LEU 25 16.208 2.153 -0.713 149 HG LEU 25 HG LEU 25 16.334 -0.141 -1.642 150 1HD1 LEU 25 1HD1 LEU 25 15.446 1.327 -4.098 151 2HD1 LEU 25 2HD1 LEU 25 14.950 -0.257 -3.502 152 3HD1 LEU 25 3HD1 LEU 25 16.516 -0.061 -4.291 153 1HD2 LEU 25 1HD2 LEU 25 18.172 0.899 -3.534 154 2HD2 LEU 25 2HD2 LEU 25 18.514 0.386 -1.881 155 3HD2 LEU 25 3HD2 LEU 25 18.099 2.068 -2.214 156 H SER 26 H SER 26 12.506 -0.006 -2.356 157 HA SER 26 HA SER 26 11.819 1.762 -4.666 158 1HB SER 26 2HB SER 26 11.815 -0.570 -5.919 159 2HB SER 26 1HB SER 26 13.324 0.310 -5.698 160 HG SER 26 HG SER 26 12.291 -1.739 -4.020 161 H LEU 27 H LEU 27 9.761 2.170 -3.680 162 HA LEU 27 HA LEU 27 8.003 0.366 -2.458 163 1HB LEU 27 2HB LEU 27 7.935 2.945 -3.830 164 2HB LEU 27 1HB LEU 27 6.419 2.063 -4.013 165 HG LEU 27 HG LEU 27 6.935 1.632 -1.373 166 1HD1 LEU 27 1HD1 LEU 27 7.801 4.484 -1.908 167 2HD1 LEU 27 2HD1 LEU 27 8.936 3.172 -1.591 168 3HD1 LEU 27 3HD1 LEU 27 7.770 3.645 -0.357 169 1HD2 LEU 27 1HD2 LEU 27 5.247 3.377 -0.956 170 2HD2 LEU 27 2HD2 LEU 27 4.822 2.437 -2.385 171 3HD2 LEU 27 3HD2 LEU 27 5.528 4.044 -2.564 172 H VAL 28 H VAL 28 7.167 -1.535 -3.228 173 HA VAL 28 HA VAL 28 6.422 -1.694 -6.124 174 HB VAL 28 HB VAL 28 8.667 -2.705 -5.602 175 1HG1 VAL 28 1HG1 VAL 28 7.190 -3.747 -3.392 176 2HG1 VAL 28 2HG1 VAL 28 8.908 -3.945 -3.745 177 3HG1 VAL 28 3HG1 VAL 28 7.740 -5.111 -4.368 178 1HG2 VAL 28 1HG2 VAL 28 7.766 -5.140 -6.378 179 2HG2 VAL 28 2HG2 VAL 28 7.874 -3.764 -7.475 180 3HG2 VAL 28 3HG2 VAL 28 6.333 -4.169 -6.717 181 H TRP 29 H TRP 29 4.260 -1.255 -4.900 182 HA TRP 29 HA TRP 29 2.877 -3.820 -4.556 183 1HB TRP 29 2HB TRP 29 2.215 -3.281 -2.200 184 2HB TRP 29 1HB TRP 29 3.949 -3.548 -2.376 185 HD1 TRP 29 HD1 TRP 29 5.539 -1.389 -2.334 186 HE1 TRP 29 HE1 TRP 29 5.197 0.944 -1.297 187 HE3 TRP 29 HE3 TRP 29 0.483 -1.459 -1.659 188 HZ2 TRP 29 HZ2 TRP 29 3.058 2.572 -0.313 189 HZ3 TRP 29 HZ3 TRP 29 -0.683 0.492 -0.672 190 HH2 TRP 29 HH2 TRP 29 0.597 2.504 0.000 191 H GLY 30 H GLY 30 0.623 -2.829 -3.172 192 1HA GLY 30 2HA GLY 30 -0.276 -0.294 -4.233 193 2HA GLY 30 1HA GLY 30 -0.928 -1.639 -5.170 194 H CYS 31 H CYS 31 -2.673 -2.740 -4.350 195 HA CYS 31 HA CYS 31 -3.325 -2.529 -1.460 196 1HB CYS 31 2HB CYS 31 -4.237 -0.578 -2.973 197 2HB CYS 31 1HB CYS 31 -5.405 -1.787 -3.504 198 H SER 32 H SER 32 -5.284 -3.941 -0.972 199 HA SER 32 HA SER 32 -6.041 -5.936 -2.996 200 1HB SER 32 2HB SER 32 -3.704 -6.298 -1.541 201 2HB SER 32 1HB SER 32 -4.885 -7.237 -0.632 202 HG SER 32 HG SER 32 -4.769 -8.656 -2.164 203 HA PRO 33 HA PRO 33 -9.545 -5.991 -0.336 204 1HB PRO 33 2HB PRO 33 -10.708 -8.318 -1.180 205 2HB PRO 33 1HB PRO 33 -10.721 -6.829 -2.145 206 1HG PRO 33 2HG PRO 33 -9.012 -9.244 -2.416 207 2HG PRO 33 1HG PRO 33 -9.700 -8.200 -3.668 208 1HD PRO 33 2HD PRO 33 -7.087 -8.094 -2.835 209 2HD PRO 33 1HD PRO 33 -7.955 -6.735 -3.580 210 H VAL 34 H VAL 34 -10.294 -7.061 1.588 211 HA VAL 34 HA VAL 34 -8.375 -9.074 2.679 212 HB VAL 34 HB VAL 34 -8.747 -6.879 3.820 213 1HG1 VAL 34 1HG1 VAL 34 -11.446 -7.475 3.221 214 2HG1 VAL 34 2HG1 VAL 34 -10.829 -6.070 4.089 215 3HG1 VAL 34 3HG1 VAL 34 -11.311 -7.514 4.978 216 1HG2 VAL 34 1HG2 VAL 34 -9.991 -8.823 5.690 217 2HG2 VAL 34 2HG2 VAL 34 -8.543 -7.837 5.892 218 3HG2 VAL 34 3HG2 VAL 34 -8.470 -9.329 4.953 219 H GLU 35 HN GLU 35 -10.158 -10.212 0.901 220 HA GLU 35 HA GLU 35 -12.691 -11.037 1.838 221 1HB GLU 35 2HB GLU 35 -12.008 -11.482 -0.406 222 2HB GLU 35 1HB GLU 35 -10.556 -12.329 0.127 223 1HG GLU 35 2HG GLU 35 -11.837 -14.177 0.969 224 2HG GLU 35 1HG GLU 35 -13.352 -13.295 0.767 Start of MODEL 4 1 1H ASP 1 1H ASP 1 -12.316 7.589 3.425 2 2H ASP 1 2H ASP 1 -13.204 6.142 3.384 3 3H ASP 1 3H ASP 1 -13.446 7.323 2.186 4 HA ASP 1 HA ASP 1 -11.966 5.245 1.681 5 1HB ASP 1 2HB ASP 1 -12.541 7.536 0.490 6 2HB ASP 1 1HB ASP 1 -10.882 7.942 0.929 7 H HIS 2 H HIS 2 -9.854 4.454 1.963 8 HA HIS 2 HA HIS 2 -8.275 5.731 4.147 9 1HB HIS 2 2HB HIS 2 -8.454 2.996 2.877 10 2HB HIS 2 1HB HIS 2 -7.119 3.417 3.950 11 HD1 HIS 2 HD1 HIS 2 -9.882 5.295 5.149 12 HD2 HIS 2 HD2 HIS 2 -8.786 1.284 5.467 13 HE1 HIS 2 HE1 HIS 2 -11.152 4.359 7.131 14 H VAL 3 H VAL 3 -5.745 4.970 3.661 15 HA VAL 3 HA VAL 3 -5.049 5.630 0.847 16 HB VAL 3 HB VAL 3 -5.345 7.708 2.329 17 1HG1 VAL 3 1HG1 VAL 3 -3.771 8.172 4.009 18 2HG1 VAL 3 2HG1 VAL 3 -2.636 6.962 3.412 19 3HG1 VAL 3 3HG1 VAL 3 -4.102 6.457 4.254 20 1HG2 VAL 3 1HG2 VAL 3 -2.842 8.431 1.589 21 2HG2 VAL 3 2HG2 VAL 3 -4.174 8.280 0.442 22 3HG2 VAL 3 3HG2 VAL 3 -3.021 6.960 0.634 23 H CYS 4 H CYS 4 -3.349 4.368 0.228 24 HA CYS 4 HA CYS 4 -1.480 3.345 2.341 25 1HB CYS 4 2HB CYS 4 -2.378 1.789 -0.094 26 2HB CYS 4 1HB CYS 4 -1.630 1.169 1.374 27 H ASP 5 H ASP 5 0.638 3.796 1.822 28 HA ASP 5 HA ASP 5 2.533 4.352 0.525 29 1HB ASP 5 2HB ASP 5 2.508 2.565 -0.886 30 2HB ASP 5 1HB ASP 5 0.761 2.637 -1.072 31 H ASP 6 H ASP 6 -0.207 5.994 0.609 32 HA ASP 6 HA ASP 6 -0.753 8.209 0.001 33 1HB ASP 6 2HB ASP 6 2.091 7.879 -0.351 34 2HB ASP 6 1HB ASP 6 1.464 8.938 -1.614 35 H ASN 7 H ASN 7 1.216 7.608 -2.892 36 HA ASN 7 HA ASN 7 -0.682 8.450 -4.767 37 1HB ASN 7 2HB ASN 7 0.727 7.314 -6.371 38 2HB ASN 7 1HB ASN 7 1.771 7.894 -5.072 39 1HD2 ASN 7 1HD2 ASN 7 0.063 4.957 -6.224 40 2HD2 ASN 7 2HD2 ASN 7 1.115 3.861 -5.466 41 H PHE 8 H PHE 8 -0.478 5.341 -3.120 42 HA PHE 8 HA PHE 8 -2.706 4.270 -4.803 43 1HB PHE 8 2HB PHE 8 -0.380 3.138 -4.103 44 2HB PHE 8 1HB PHE 8 -1.311 2.702 -2.670 45 HD1 PHE 8 HD1 PHE 8 -1.259 2.496 -6.389 46 HD2 PHE 8 HD2 PHE 8 -2.964 0.987 -2.746 47 HE1 PHE 8 HE1 PHE 8 -2.353 0.667 -7.659 48 HE2 PHE 8 HE2 PHE 8 -4.058 -0.843 -4.017 49 HZ PHE 8 HZ PHE 8 -3.752 -1.001 -6.472 50 H SER 9 H SER 9 -4.662 3.566 -3.763 51 HA SER 9 HA SER 9 -4.941 4.045 -0.843 52 1HB SER 9 2HB SER 9 -6.848 5.585 -1.279 53 2HB SER 9 1HB SER 9 -5.337 6.210 -1.934 54 HG SER 9 HG SER 9 -6.398 6.281 -3.745 55 H CYS 10 H CYS 10 -7.129 3.297 -0.078 56 HA CYS 10 HA CYS 10 -8.533 1.432 -1.930 57 1HB CYS 10 2HB CYS 10 -6.767 0.794 0.347 58 2HB CYS 10 1HB CYS 10 -8.323 -0.034 0.392 59 HA PRO 11 HA PRO 11 -11.915 3.280 0.252 60 1HB PRO 11 2HB PRO 11 -13.900 1.681 -0.745 61 2HB PRO 11 1HB PRO 11 -13.132 2.975 -1.688 62 1HG PRO 11 2HG PRO 11 -12.674 0.040 -1.774 63 2HG PRO 11 1HG PRO 11 -12.680 1.223 -3.090 64 1HD PRO 11 2HD PRO 11 -10.405 0.190 -1.962 65 2HD PRO 11 1HD PRO 11 -10.486 1.766 -2.781 66 H ALA 12 H ALA 12 -10.827 2.166 2.255 67 HA ALA 12 HA ALA 12 -10.971 0.690 4.118 68 1HB ALA 12 1HB ALA 12 -13.510 0.549 4.733 69 2HB ALA 12 2HB ALA 12 -13.733 1.582 3.322 70 3HB ALA 12 3HB ALA 12 -12.740 2.135 4.670 71 H GLY 13 H GLY 13 -11.045 -0.628 1.364 72 1HA GLY 13 2HA GLY 13 -12.288 -3.187 2.276 73 2HA GLY 13 1HA GLY 13 -12.508 -2.622 0.618 74 H SER 14 H SER 14 -9.608 -2.590 2.694 75 HA SER 14 HA SER 14 -8.289 -4.760 1.308 76 1HB SER 14 2HB SER 14 -8.321 -2.077 0.152 77 2HB SER 14 1HB SER 14 -6.681 -2.657 0.419 78 HG SER 14 HG SER 14 -8.522 -3.432 -1.412 79 H THR 15 H THR 15 -5.623 -3.737 1.501 80 HA THR 15 HA THR 15 -5.331 -2.791 4.305 81 HB THR 15 HB THR 15 -3.734 -5.177 3.532 82 HG1 THR 15 HG1 THR 15 -5.674 -5.864 2.762 83 1HG2 THR 15 1HG2 THR 15 -4.458 -3.758 5.875 84 2HG2 THR 15 2HG2 THR 15 -3.457 -5.205 5.760 85 3HG2 THR 15 3HG2 THR 15 -5.197 -5.355 6.000 86 H CYS 16 H CYS 16 -3.795 -1.196 4.195 87 HA CYS 16 HA CYS 16 -2.086 -0.786 1.906 88 1HB CYS 16 2HB CYS 16 -1.685 0.286 4.710 89 2HB CYS 16 1HB CYS 16 -1.268 1.070 3.189 90 H SER 17 H SER 17 -0.639 -2.489 1.499 91 HA SER 17 HA SER 17 1.063 -3.429 3.776 92 1HB SER 17 2HB SER 17 1.479 -5.043 1.535 93 2HB SER 17 1HB SER 17 0.418 -5.408 2.893 94 HG SER 17 HG SER 17 -0.372 -5.212 0.511 95 H SER 18 H SER 18 3.216 -2.902 3.765 96 HA SER 18 HA SER 18 4.288 -1.295 1.532 97 1HB SER 18 2HB SER 18 5.200 -2.120 4.293 98 2HB SER 18 1HB SER 18 6.269 -1.255 3.192 99 HG SER 18 HG SER 18 5.104 0.500 3.438 100 H ALA 19 H ALA 19 5.507 -2.193 -0.081 101 HA ALA 19 HA ALA 19 7.461 -4.267 0.313 102 1HB ALA 19 1HB ALA 19 5.800 -5.785 -1.268 103 2HB ALA 19 2HB ALA 19 4.646 -4.989 -0.198 104 3HB ALA 19 3HB ALA 19 5.948 -5.967 0.481 105 H PHE 20 H PHE 20 8.288 -5.072 -1.872 106 HA PHE 20 HA PHE 20 7.675 -3.072 -4.022 107 1HB PHE 20 2HB PHE 20 10.278 -3.943 -4.464 108 2HB PHE 20 1HB PHE 20 9.822 -2.422 -3.709 109 HD1 PHE 20 HD1 PHE 20 9.285 -2.593 -1.097 110 HD2 PHE 20 HD2 PHE 20 11.676 -5.393 -3.309 111 HE1 PHE 20 HE1 PHE 20 10.378 -3.322 1.006 112 HE2 PHE 20 HE2 PHE 20 12.766 -6.121 -1.207 113 HZ PHE 20 HZ PHE 20 12.118 -5.087 0.952 114 H GLY 21 H GLY 21 9.804 -5.918 -4.108 115 1HA GLY 21 2HA GLY 21 7.841 -7.315 -5.841 116 2HA GLY 21 1HA GLY 21 9.423 -6.949 -6.524 117 H PHE 22 H PHE 22 11.322 -7.733 -5.086 118 HA PHE 22 HA PHE 22 10.713 -10.096 -3.425 119 1HB PHE 22 2HB PHE 22 11.815 -11.640 -4.960 120 2HB PHE 22 1HB PHE 22 10.537 -10.792 -5.831 121 HD1 PHE 22 HD1 PHE 22 11.229 -8.599 -7.072 122 HD2 PHE 22 HD2 PHE 22 14.004 -11.620 -5.799 123 HE1 PHE 22 HE1 PHE 22 12.901 -7.748 -8.696 124 HE2 PHE 22 HE2 PHE 22 15.675 -10.770 -7.423 125 HZ PHE 22 HZ PHE 22 15.122 -8.835 -8.872 126 H ARG 23 H ARG 23 13.161 -8.088 -5.054 127 HA ARG 23 HA ARG 23 15.204 -8.978 -3.077 128 1HB ARG 23 2HB ARG 23 15.805 -9.048 -5.427 129 2HB ARG 23 1HB ARG 23 15.300 -7.371 -5.645 130 1HG ARG 23 2HG ARG 23 17.047 -6.630 -4.076 131 2HG ARG 23 1HG ARG 23 17.552 -8.304 -3.842 132 1HD ARG 23 2HD ARG 23 18.618 -8.402 -5.879 133 2HD ARG 23 1HD ARG 23 17.426 -7.346 -6.663 134 HE ARG 23 HE ARG 23 18.879 -5.887 -4.648 135 1HH1 ARG 23 1HH2 ARG 23 18.263 -4.685 -7.262 136 2HH1 ARG 23 2HH2 ARG 23 19.804 -4.654 -8.052 137 1HH2 ARG 23 2HH1 ARG 23 21.250 -6.951 -5.892 138 2HH2 ARG 23 1HH1 ARG 23 21.498 -5.936 -7.274 139 H ASN 24 H ASN 24 15.163 -5.808 -4.608 140 HA ASN 24 HA ASN 24 14.305 -4.423 -2.153 141 1HB ASN 24 2HB ASN 24 16.626 -5.162 -1.696 142 2HB ASN 24 1HB ASN 24 17.168 -4.329 -3.154 143 1HD2 ASN 24 1HD2 ASN 24 18.153 -3.611 -0.547 144 2HD2 ASN 24 2HD2 ASN 24 17.601 -2.048 -0.186 145 H LEU 25 H LEU 25 12.973 -3.993 -4.386 146 HA LEU 25 HA LEU 25 14.232 -1.856 -6.008 147 1HB LEU 25 2HB LEU 25 12.224 -3.873 -6.299 148 2HB LEU 25 1HB LEU 25 11.461 -2.308 -6.584 149 HG LEU 25 HG LEU 25 12.335 -3.085 -8.696 150 1HD1 LEU 25 1HD1 LEU 25 14.453 -1.159 -7.776 151 2HD1 LEU 25 2HD1 LEU 25 12.765 -0.649 -7.830 152 3HD1 LEU 25 3HD1 LEU 25 13.570 -1.192 -9.303 153 1HD2 LEU 25 1HD2 LEU 25 13.968 -4.674 -8.341 154 2HD2 LEU 25 2HD2 LEU 25 14.683 -3.789 -6.994 155 3HD2 LEU 25 3HD2 LEU 25 15.012 -3.287 -8.651 156 H SER 26 H SER 26 13.853 -1.165 -3.258 157 HA SER 26 HA SER 26 13.051 0.718 -2.054 158 1HB SER 26 2HB SER 26 13.116 1.539 -4.581 159 2HB SER 26 1HB SER 26 11.363 1.461 -4.426 160 HG SER 26 HG SER 26 11.976 3.481 -3.770 161 H LEU 27 H LEU 27 10.413 1.820 -2.136 162 HA LEU 27 HA LEU 27 8.931 -0.299 -0.813 163 1HB LEU 27 2HB LEU 27 8.741 2.588 -1.354 164 2HB LEU 27 1HB LEU 27 7.174 1.781 -1.282 165 HG LEU 27 HG LEU 27 7.619 0.915 0.910 166 1HD1 LEU 27 1HD1 LEU 27 9.758 0.283 1.294 167 2HD1 LEU 27 2HD1 LEU 27 10.049 1.962 1.749 168 3HD1 LEU 27 3HD1 LEU 27 10.390 1.421 0.105 169 1HD2 LEU 27 1HD2 LEU 27 7.220 2.898 1.921 170 2HD2 LEU 27 2HD2 LEU 27 7.489 3.645 0.346 171 3HD2 LEU 27 3HD2 LEU 27 8.817 3.515 1.499 172 H VAL 28 H VAL 28 7.233 1.716 -3.123 173 HA VAL 28 HA VAL 28 5.956 1.160 -5.033 174 HB VAL 28 HB VAL 28 7.624 -1.361 -5.109 175 1HG1 VAL 28 1HG1 VAL 28 5.792 -1.040 -6.772 176 2HG1 VAL 28 2HG1 VAL 28 7.387 -1.076 -7.524 177 3HG1 VAL 28 3HG1 VAL 28 6.558 0.463 -7.286 178 1HG2 VAL 28 1HG2 VAL 28 9.229 0.384 -4.703 179 2HG2 VAL 28 2HG2 VAL 28 8.404 1.483 -5.809 180 3HG2 VAL 28 3HG2 VAL 28 9.258 0.074 -6.439 181 H TRP 29 H TRP 29 4.227 0.783 -3.289 182 HA TRP 29 HA TRP 29 3.157 -1.963 -3.612 183 1HB TRP 29 2HB TRP 29 2.809 -2.030 -1.082 184 2HB TRP 29 1HB TRP 29 4.475 -2.202 -1.626 185 HD1 TRP 29 HD1 TRP 29 6.034 0.033 -1.471 186 HE1 TRP 29 HE1 TRP 29 5.953 1.986 0.211 187 HE3 TRP 29 HE3 TRP 29 1.317 -0.592 0.383 188 HZ2 TRP 29 HZ2 TRP 29 4.128 3.131 2.094 189 HZ3 TRP 29 HZ3 TRP 29 0.436 0.937 2.119 190 HH2 TRP 29 HH2 TRP 29 1.831 2.798 2.976 191 H GLY 30 H GLY 30 0.957 -1.946 -2.161 192 1HA GLY 30 2HA GLY 30 -0.360 0.680 -2.145 193 2HA GLY 30 1HA GLY 30 -0.974 -0.443 -3.359 194 H CYS 31 H CYS 31 -2.739 -1.532 -2.662 195 HA CYS 31 HA CYS 31 -2.758 -2.627 0.099 196 1HB CYS 31 2HB CYS 31 -5.110 -1.661 0.328 197 2HB CYS 31 1HB CYS 31 -3.799 -0.487 0.375 198 H SER 32 H SER 32 -3.662 -4.651 0.112 199 HA SER 32 HA SER 32 -4.858 -5.667 -2.411 200 1HB SER 32 2HB SER 32 -4.672 -7.705 -0.495 201 2HB SER 32 1HB SER 32 -3.503 -7.364 -1.768 202 HG SER 32 HG SER 32 -3.552 -6.370 0.891 203 HA PRO 33 HA PRO 33 -8.945 -5.599 -0.778 204 1HB PRO 33 2HB PRO 33 -10.043 -7.681 -2.174 205 2HB PRO 33 1HB PRO 33 -9.673 -6.111 -2.913 206 1HG PRO 33 2HG PRO 33 -8.146 -8.663 -3.028 207 2HG PRO 33 1HG PRO 33 -8.419 -7.452 -4.292 208 1HD PRO 33 2HD PRO 33 -6.094 -7.655 -2.876 209 2HD PRO 33 1HD PRO 33 -6.683 -6.137 -3.587 210 H VAL 34 H VAL 34 -9.665 -6.400 1.168 211 HA VAL 34 HA VAL 34 -8.583 -8.969 2.162 212 HB VAL 34 HB VAL 34 -8.660 -6.783 3.446 213 1HG1 VAL 34 1HG1 VAL 34 -10.857 -6.014 2.703 214 2HG1 VAL 34 2HG1 VAL 34 -10.867 -6.206 4.456 215 3HG1 VAL 34 3HG1 VAL 34 -11.625 -7.424 3.432 216 1HG2 VAL 34 1HG2 VAL 34 -8.386 -8.321 5.085 217 2HG2 VAL 34 2HG2 VAL 34 -9.505 -9.447 4.316 218 3HG2 VAL 34 3HG2 VAL 34 -10.119 -8.172 5.369 219 H GLU 35 HN GLU 35 -10.554 -9.094 -0.010 220 HA GLU 35 HA GLU 35 -12.452 -10.952 1.237 221 1HB GLU 35 2HB GLU 35 -13.184 -8.398 1.409 222 2HB GLU 35 1HB GLU 35 -13.689 -8.667 -0.260 223 1HG GLU 35 2HG GLU 35 -15.494 -9.839 0.404 224 2HG GLU 35 1HG GLU 35 -14.506 -10.880 1.431 Start of MODEL 5 1 1H ASP 1 1H ASP 1 -12.746 5.950 3.523 2 2H ASP 1 2H ASP 1 -12.776 6.725 2.011 3 3H ASP 1 3H ASP 1 -11.563 7.103 3.139 4 HA ASP 1 HA ASP 1 -11.797 4.315 2.244 5 1HB ASP 1 2HB ASP 1 -10.607 4.848 0.201 6 2HB ASP 1 1HB ASP 1 -12.034 5.883 0.270 7 H HIS 2 H HIS 2 -9.220 3.869 1.678 8 HA HIS 2 HA HIS 2 -7.681 5.001 3.995 9 1HB HIS 2 2HB HIS 2 -7.770 2.203 2.818 10 2HB HIS 2 1HB HIS 2 -6.643 2.709 4.077 11 HD1 HIS 2 HD1 HIS 2 -7.556 3.005 6.452 12 HD2 HIS 2 HD2 HIS 2 -10.526 2.103 3.670 13 HE1 HIS 2 HE1 HIS 2 -9.651 2.500 7.781 14 H VAL 3 H VAL 3 -5.398 5.278 3.618 15 HA VAL 3 HA VAL 3 -4.601 5.175 0.727 16 HB VAL 3 HB VAL 3 -3.442 7.292 1.136 17 1HG1 VAL 3 1HG1 VAL 3 -5.529 7.983 0.523 18 2HG1 VAL 3 2HG1 VAL 3 -5.646 8.490 2.208 19 3HG1 VAL 3 3HG1 VAL 3 -6.326 6.942 1.704 20 1HG2 VAL 3 1HG2 VAL 3 -4.309 6.762 3.984 21 2HG2 VAL 3 2HG2 VAL 3 -3.887 8.383 3.431 22 3HG2 VAL 3 3HG2 VAL 3 -2.684 7.094 3.382 23 H CYS 4 H CYS 4 -2.796 3.952 0.384 24 HA CYS 4 HA CYS 4 -1.250 2.947 2.695 25 1HB CYS 4 2HB CYS 4 -1.055 2.422 -0.290 26 2HB CYS 4 1HB CYS 4 -0.304 1.459 0.982 27 H ASP 5 H ASP 5 -0.777 4.970 -0.189 28 HA ASP 5 HA ASP 5 1.587 6.214 1.071 29 1HB ASP 5 2HB ASP 5 2.329 4.100 -0.089 30 2HB ASP 5 1HB ASP 5 1.753 4.794 -1.605 31 H ASP 6 H ASP 6 2.022 8.268 0.154 32 HA ASP 6 HA ASP 6 0.024 9.853 -0.889 33 1HB ASP 6 2HB ASP 6 2.960 9.934 -1.655 34 2HB ASP 6 1HB ASP 6 1.847 11.304 -1.640 35 H ASN 7 H ASN 7 2.027 7.558 -2.685 36 HA ASN 7 HA ASN 7 0.747 8.420 -5.238 37 1HB ASN 7 2HB ASN 7 2.679 7.650 -6.243 38 2HB ASN 7 1HB ASN 7 3.326 7.962 -4.635 39 1HD2 ASN 7 1HD2 ASN 7 2.581 5.801 -3.127 40 2HD2 ASN 7 2HD2 ASN 7 3.136 4.351 -3.811 41 H PHE 8 H PHE 8 -0.619 6.826 -3.078 42 HA PHE 8 HA PHE 8 -1.726 4.740 -4.830 43 1HB PHE 8 2HB PHE 8 0.457 4.174 -3.163 44 2HB PHE 8 1HB PHE 8 -0.941 3.551 -2.287 45 HD1 PHE 8 HD1 PHE 8 -2.079 1.591 -3.009 46 HD2 PHE 8 HD2 PHE 8 0.821 3.462 -5.568 47 HE1 PHE 8 HE1 PHE 8 -2.173 -0.357 -4.541 48 HE2 PHE 8 HE2 PHE 8 0.727 1.515 -7.100 49 HZ PHE 8 HZ PHE 8 -0.770 -0.396 -6.586 50 H SER 9 H SER 9 -3.494 3.504 -3.495 51 HA SER 9 HA SER 9 -4.532 4.824 -1.109 52 1HB SER 9 2HB SER 9 -6.585 5.660 -2.359 53 2HB SER 9 1HB SER 9 -5.093 6.526 -2.717 54 HG SER 9 HG SER 9 -6.687 5.277 -4.401 55 H CYS 10 H CYS 10 -7.143 4.101 -1.154 56 HA CYS 10 HA CYS 10 -7.877 1.650 -2.377 57 1HB CYS 10 2HB CYS 10 -5.829 1.471 -0.359 58 2HB CYS 10 1HB CYS 10 -7.270 0.619 0.196 59 HA PRO 11 HA PRO 11 -11.503 2.784 -0.151 60 1HB PRO 11 2HB PRO 11 -12.979 0.517 -0.561 61 2HB PRO 11 1HB PRO 11 -12.684 1.719 -1.834 62 1HG PRO 11 2HG PRO 11 -11.387 -0.915 -1.380 63 2HG PRO 11 1HG PRO 11 -11.810 -0.111 -2.897 64 1HD PRO 11 2HD PRO 11 -9.275 -0.196 -1.848 65 2HD PRO 11 1HD PRO 11 -9.853 1.058 -2.967 66 H ALA 12 H ALA 12 -13.160 0.952 1.245 67 HA ALA 12 HA ALA 12 -11.464 0.407 3.616 68 1HB ALA 12 1HB ALA 12 -14.455 0.357 3.097 69 2HB ALA 12 2HB ALA 12 -13.550 1.674 3.843 70 3HB ALA 12 3HB ALA 12 -13.710 0.130 4.679 71 H GLY 13 H GLY 13 -12.742 -1.285 0.942 72 1HA GLY 13 2HA GLY 13 -13.156 -3.836 2.312 73 2HA GLY 13 1HA GLY 13 -13.187 -3.581 0.567 74 H SER 14 H SER 14 -10.515 -2.210 0.674 75 HA SER 14 HA SER 14 -8.880 -4.707 0.769 76 1HB SER 14 2HB SER 14 -9.145 -2.425 -0.964 77 2HB SER 14 1HB SER 14 -7.490 -2.504 -0.370 78 HG SER 14 HG SER 14 -7.576 -3.817 -2.138 79 H THR 15 H THR 15 -6.421 -4.035 1.269 80 HA THR 15 HA THR 15 -6.350 -2.150 3.591 81 HB THR 15 HB THR 15 -4.749 -4.251 4.370 82 HG1 THR 15 HG1 THR 15 -5.344 -5.922 3.279 83 1HG2 THR 15 1HG2 THR 15 -6.464 -4.720 5.980 84 2HG2 THR 15 2HG2 THR 15 -7.721 -4.098 4.911 85 3HG2 THR 15 3HG2 THR 15 -6.551 -2.992 5.635 86 H CYS 16 H CYS 16 -4.048 -1.633 4.191 87 HA CYS 16 HA CYS 16 -2.417 -1.279 1.754 88 1HB CYS 16 2HB CYS 16 -2.351 -0.302 4.614 89 2HB CYS 16 1HB CYS 16 -1.048 0.060 3.482 90 H SER 17 H SER 17 -1.064 -2.968 1.234 91 HA SER 17 HA SER 17 -0.198 -4.996 3.073 92 1HB SER 17 2HB SER 17 -0.372 -5.258 0.626 93 2HB SER 17 1HB SER 17 0.906 -4.067 0.400 94 HG SER 17 HG SER 17 1.438 -6.201 2.105 95 H SER 18 H SER 18 2.532 -3.804 1.384 96 HA SER 18 HA SER 18 3.621 -1.828 3.039 97 1HB SER 18 2HB SER 18 3.246 -4.346 4.364 98 2HB SER 18 1HB SER 18 4.975 -4.033 4.240 99 HG SER 18 HG SER 18 4.192 -1.783 4.941 100 H ALA 19 H ALA 19 5.056 -1.194 1.484 101 HA ALA 19 HA ALA 19 6.987 -1.242 0.130 102 1HB ALA 19 1HB ALA 19 8.684 -2.547 0.981 103 2HB ALA 19 2HB ALA 19 7.659 -3.976 1.111 104 3HB ALA 19 3HB ALA 19 7.545 -2.696 2.319 105 H PHE 20 H PHE 20 8.112 -2.856 -1.527 106 HA PHE 20 HA PHE 20 6.373 -3.463 -3.596 107 1HB PHE 20 2HB PHE 20 9.069 -4.350 -2.698 108 2HB PHE 20 1HB PHE 20 8.323 -5.276 -4.002 109 HD1 PHE 20 HD1 PHE 20 9.361 -1.876 -2.938 110 HD2 PHE 20 HD2 PHE 20 8.093 -4.363 -6.201 111 HE1 PHE 20 HE1 PHE 20 9.940 -0.073 -4.536 112 HE2 PHE 20 HE2 PHE 20 8.672 -2.558 -7.803 113 HZ PHE 20 HZ PHE 20 9.596 -0.411 -6.968 114 H GLY 21 H GLY 21 6.086 -5.861 -4.465 115 1HA GLY 21 2HA GLY 21 4.689 -7.350 -2.308 116 2HA GLY 21 1HA GLY 21 4.420 -7.562 -4.037 117 H PHE 22 H PHE 22 7.678 -7.390 -3.777 118 HA PHE 22 HA PHE 22 8.018 -10.280 -3.093 119 1HB PHE 22 2HB PHE 22 7.673 -10.065 -5.516 120 2HB PHE 22 1HB PHE 22 8.941 -8.844 -5.606 121 HD1 PHE 22 HD1 PHE 22 11.032 -9.577 -6.316 122 HD2 PHE 22 HD2 PHE 22 8.478 -12.295 -4.183 123 HE1 PHE 22 HE1 PHE 22 12.736 -11.365 -6.552 124 HE2 PHE 22 HE2 PHE 22 10.182 -14.080 -4.419 125 HZ PHE 22 HZ PHE 22 12.311 -13.615 -5.604 126 H ARG 23 H ARG 23 10.539 -8.510 -4.709 127 HA ARG 23 HA ARG 23 12.342 -8.793 -2.460 128 1HB ARG 23 2HB ARG 23 12.546 -8.509 -5.166 129 2HB ARG 23 1HB ARG 23 12.946 -6.874 -4.641 130 1HG ARG 23 2HG ARG 23 14.995 -7.546 -4.005 131 2HG ARG 23 1HG ARG 23 14.289 -8.756 -2.933 132 1HD ARG 23 2HD ARG 23 14.464 -10.456 -4.509 133 2HD ARG 23 1HD ARG 23 14.362 -9.333 -5.880 134 HE ARG 23 HE ARG 23 16.695 -8.618 -4.499 135 1HH1 ARG 23 1HH2 ARG 23 15.382 -11.323 -6.195 136 2HH1 ARG 23 2HH2 ARG 23 16.929 -11.979 -6.610 137 1HH2 ARG 23 2HH1 ARG 23 18.720 -9.497 -4.984 138 2HH2 ARG 23 1HH1 ARG 23 18.818 -10.946 -5.927 139 H ASN 24 H ASN 24 13.630 -6.171 -2.774 140 HA ASN 24 HA ASN 24 11.627 -4.437 -1.367 141 1HB ASN 24 2HB ASN 24 13.814 -3.621 -0.198 142 2HB ASN 24 1HB ASN 24 13.145 -5.179 0.284 143 1HD2 ASN 24 1HD2 ASN 24 14.796 -6.688 0.497 144 2HD2 ASN 24 2HD2 ASN 24 16.151 -6.806 -0.518 145 H LEU 25 H LEU 25 11.990 -4.292 -4.159 146 HA LEU 25 HA LEU 25 13.884 -2.682 -5.332 147 1HB LEU 25 2HB LEU 25 10.882 -2.825 -5.530 148 2HB LEU 25 1HB LEU 25 11.784 -1.717 -6.566 149 HG LEU 25 HG LEU 25 13.167 -4.185 -6.645 150 1HD1 LEU 25 1HD1 LEU 25 10.647 -4.811 -5.841 151 2HD1 LEU 25 2HD1 LEU 25 11.627 -5.861 -6.865 152 3HD1 LEU 25 3HD1 LEU 25 10.423 -4.796 -7.591 153 1HD2 LEU 25 1HD2 LEU 25 11.573 -2.455 -8.482 154 2HD2 LEU 25 2HD2 LEU 25 11.947 -4.088 -9.034 155 3HD2 LEU 25 3HD2 LEU 25 13.252 -2.981 -8.609 156 H SER 26 H SER 26 11.431 -1.641 -3.010 157 HA SER 26 HA SER 26 12.872 0.694 -2.206 158 1HB SER 26 2HB SER 26 11.591 0.905 -4.710 159 2HB SER 26 1HB SER 26 10.580 1.813 -3.591 160 HG SER 26 HG SER 26 12.048 3.295 -3.885 161 H LEU 27 H LEU 27 9.370 0.611 -2.904 162 HA LEU 27 HA LEU 27 8.589 -0.368 -0.311 163 1HB LEU 27 2HB LEU 27 8.395 1.585 0.921 164 2HB LEU 27 1HB LEU 27 9.784 1.997 -0.079 165 HG LEU 27 HG LEU 27 6.899 2.796 -0.561 166 1HD1 LEU 27 1HD1 LEU 27 7.893 5.090 -0.347 167 2HD1 LEU 27 2HD1 LEU 27 9.418 4.335 0.119 168 3HD1 LEU 27 3HD1 LEU 27 7.990 4.138 1.135 169 1HD2 LEU 27 1HD2 LEU 27 7.552 3.757 -2.618 170 2HD2 LEU 27 2HD2 LEU 27 8.364 2.192 -2.630 171 3HD2 LEU 27 3HD2 LEU 27 9.268 3.652 -2.226 172 H VAL 28 H VAL 28 7.805 -0.275 -3.288 173 HA VAL 28 HA VAL 28 5.398 1.041 -3.802 174 HB VAL 28 HB VAL 28 6.517 -1.676 -4.477 175 1HG1 VAL 28 1HG1 VAL 28 4.068 -1.957 -4.454 176 2HG1 VAL 28 2HG1 VAL 28 4.682 -1.978 -6.106 177 3HG1 VAL 28 3HG1 VAL 28 3.891 -0.533 -5.481 178 1HG2 VAL 28 1HG2 VAL 28 5.791 0.567 -6.353 179 2HG2 VAL 28 2HG2 VAL 28 7.008 -0.691 -6.555 180 3HG2 VAL 28 3HG2 VAL 28 7.287 0.630 -5.422 181 H TRP 29 H TRP 29 3.134 -0.159 -3.786 182 HA TRP 29 HA TRP 29 2.835 -1.619 -1.186 183 1HB TRP 29 2HB TRP 29 1.230 0.682 -2.330 184 2HB TRP 29 1HB TRP 29 0.760 -0.230 -0.893 185 HD1 TRP 29 HD1 TRP 29 3.760 1.836 -2.189 186 HE1 TRP 29 HE1 TRP 29 4.903 2.945 -0.161 187 HE3 TRP 29 HE3 TRP 29 0.983 -0.173 1.590 188 HZ2 TRP 29 HZ2 TRP 29 4.674 2.969 2.691 189 HZ3 TRP 29 HZ3 TRP 29 1.469 0.399 3.951 190 HH2 TRP 29 HH2 TRP 29 3.309 1.970 4.506 191 H GLY 30 H GLY 30 1.526 -3.403 -1.294 192 1HA GLY 30 2HA GLY 30 0.106 -3.876 -3.886 193 2HA GLY 30 1HA GLY 30 0.738 -5.159 -2.853 194 H CYS 31 H CYS 31 -1.751 -2.638 -3.043 195 HA CYS 31 HA CYS 31 -3.174 -3.146 -0.668 196 1HB CYS 31 2HB CYS 31 -3.524 -1.845 -3.202 197 2HB CYS 31 1HB CYS 31 -5.006 -2.718 -2.814 198 H SER 32 H SER 32 -4.872 -4.620 -0.152 199 HA SER 32 HA SER 32 -5.445 -6.802 -2.103 200 1HB SER 32 2HB SER 32 -4.297 -7.075 0.689 201 2HB SER 32 1HB SER 32 -4.970 -8.428 -0.217 202 HG SER 32 HG SER 32 -2.545 -7.634 -0.332 203 HA PRO 33 HA PRO 33 -9.461 -6.136 -0.381 204 1HB PRO 33 2HB PRO 33 -10.687 -8.326 -1.472 205 2HB PRO 33 1HB PRO 33 -10.285 -6.874 -2.414 206 1HG PRO 33 2HG PRO 33 -8.856 -9.481 -2.254 207 2HG PRO 33 1HG PRO 33 -9.136 -8.432 -3.651 208 1HD PRO 33 2HD PRO 33 -6.767 -8.542 -2.310 209 2HD PRO 33 1HD PRO 33 -7.335 -7.101 -3.181 210 H VAL 34 H VAL 34 -9.864 -6.588 1.756 211 HA VAL 34 HA VAL 34 -8.878 -8.964 3.087 212 HB VAL 34 HB VAL 34 -10.988 -6.963 3.957 213 1HG1 VAL 34 1HG1 VAL 34 -10.314 -7.540 6.195 214 2HG1 VAL 34 2HG1 VAL 34 -8.956 -8.496 5.601 215 3HG1 VAL 34 3HG1 VAL 34 -10.608 -9.055 5.341 216 1HG2 VAL 34 1HG2 VAL 34 -9.313 -5.458 3.592 217 2HG2 VAL 34 2HG2 VAL 34 -8.075 -6.711 3.507 218 3HG2 VAL 34 3HG2 VAL 34 -8.634 -6.129 5.074 219 H GLU 35 HN GLU 35 -10.054 -10.400 1.352 220 HA GLU 35 HA GLU 35 -12.881 -10.718 1.311 221 1HB GLU 35 2HB GLU 35 -12.328 -12.886 0.322 222 2HB GLU 35 1HB GLU 35 -11.183 -11.677 -0.262 223 1HG GLU 35 2HG GLU 35 -9.587 -12.383 1.526 224 2HG GLU 35 1HG GLU 35 -10.714 -13.662 1.981 Start of MODEL 6 1 1H ASP 1 1H ASP 1 -11.349 8.220 1.800 2 2H ASP 1 2H ASP 1 -11.852 6.636 2.156 3 3H ASP 1 3H ASP 1 -12.348 7.384 0.712 4 HA ASP 1 HA ASP 1 -10.640 5.942 0.040 5 1HB ASP 1 2HB ASP 1 -9.738 8.793 0.528 6 2HB ASP 1 1HB ASP 1 -8.836 7.670 -0.491 7 H HIS 2 H HIS 2 -8.972 4.608 0.706 8 HA HIS 2 HA HIS 2 -7.778 5.153 3.396 9 1HB HIS 2 2HB HIS 2 -8.046 2.607 1.760 10 2HB HIS 2 1HB HIS 2 -7.439 2.705 3.411 11 HD1 HIS 2 HD1 HIS 2 -9.280 4.057 5.077 12 HD2 HIS 2 HD2 HIS 2 -10.751 2.028 1.740 13 HE1 HIS 2 HE1 HIS 2 -11.746 3.670 5.503 14 H VAL 3 H VAL 3 -6.176 6.638 2.307 15 HA VAL 3 HA VAL 3 -4.338 5.655 0.302 16 HB VAL 3 HB VAL 3 -3.226 7.744 0.709 17 1HG1 VAL 3 1HG1 VAL 3 -5.636 9.020 1.456 18 2HG1 VAL 3 2HG1 VAL 3 -6.103 7.573 0.562 19 3HG1 VAL 3 3HG1 VAL 3 -5.027 8.759 -0.177 20 1HG2 VAL 3 1HG2 VAL 3 -2.971 7.493 3.145 21 2HG2 VAL 3 2HG2 VAL 3 -4.698 7.773 3.361 22 3HG2 VAL 3 3HG2 VAL 3 -3.665 9.066 2.756 23 H CYS 4 H CYS 4 -2.172 4.952 0.591 24 HA CYS 4 HA CYS 4 -1.597 3.783 3.282 25 1HB CYS 4 2HB CYS 4 -0.473 3.258 0.510 26 2HB CYS 4 1HB CYS 4 -0.066 2.342 1.962 27 H ASP 5 H ASP 5 0.493 4.903 0.609 28 HA ASP 5 HA ASP 5 2.053 6.501 2.618 29 1HB ASP 5 2HB ASP 5 3.099 4.375 1.799 30 2HB ASP 5 1HB ASP 5 3.029 5.013 0.159 31 H ASP 6 H ASP 6 -0.108 7.599 1.098 32 HA ASP 6 HA ASP 6 -0.484 9.622 -0.079 33 1HB ASP 6 2HB ASP 6 1.928 9.969 0.940 34 2HB ASP 6 1HB ASP 6 2.443 9.753 -0.734 35 H ASN 7 H ASN 7 0.798 6.783 -1.365 36 HA ASN 7 HA ASN 7 0.310 7.775 -4.156 37 1HB ASN 7 2HB ASN 7 2.130 6.427 -4.881 38 2HB ASN 7 1HB ASN 7 2.705 7.172 -3.390 39 1HD2 ASN 7 1HD2 ASN 7 2.986 5.804 -1.518 40 2HD2 ASN 7 2HD2 ASN 7 2.893 4.111 -1.615 41 H PHE 8 H PHE 8 -1.263 6.222 -1.895 42 HA PHE 8 HA PHE 8 -2.424 4.219 -3.784 43 1HB PHE 8 2HB PHE 8 -0.946 3.797 -1.287 44 2HB PHE 8 1HB PHE 8 -2.527 3.016 -1.279 45 HD1 PHE 8 HD1 PHE 8 -3.145 1.794 -3.582 46 HD2 PHE 8 HD2 PHE 8 0.840 2.625 -2.209 47 HE1 PHE 8 HE1 PHE 8 -2.265 0.001 -5.053 48 HE2 PHE 8 HE2 PHE 8 1.719 0.832 -3.679 49 HZ PHE 8 HZ PHE 8 0.168 -0.480 -5.099 50 H SER 9 H SER 9 -4.502 3.265 -2.436 51 HA SER 9 HA SER 9 -5.812 5.250 -0.726 52 1HB SER 9 2HB SER 9 -6.211 6.451 -2.687 53 2HB SER 9 1HB SER 9 -6.328 4.995 -3.671 54 HG SER 9 HG SER 9 -8.221 6.217 -2.013 55 H CYS 10 H CYS 10 -6.324 2.474 -2.926 56 HA CYS 10 HA CYS 10 -7.822 0.640 -2.708 57 1HB CYS 10 2HB CYS 10 -7.227 0.824 0.238 58 2HB CYS 10 1HB CYS 10 -7.274 -0.603 -0.793 59 HA PRO 11 HA PRO 11 -11.232 3.352 -1.256 60 1HB PRO 11 2HB PRO 11 -12.969 2.571 -3.230 61 2HB PRO 11 1HB PRO 11 -11.771 3.865 -3.438 62 1HG PRO 11 2HG PRO 11 -11.641 1.010 -4.298 63 2HG PRO 11 1HG PRO 11 -11.143 2.473 -5.166 64 1HD PRO 11 2HD PRO 11 -9.373 0.856 -3.916 65 2HD PRO 11 1HD PRO 11 -9.134 2.615 -4.047 66 H ALA 12 H ALA 12 -11.720 0.029 -2.548 67 HA ALA 12 HA ALA 12 -14.014 -0.636 -1.044 68 1HB ALA 12 1HB ALA 12 -13.576 -2.362 -2.453 69 2HB ALA 12 2HB ALA 12 -12.477 -2.955 -1.208 70 3HB ALA 12 3HB ALA 12 -11.862 -1.955 -2.524 71 H GLY 13 H GLY 13 -10.661 -0.404 -0.067 72 1HA GLY 13 2HA GLY 13 -10.471 0.070 2.442 73 2HA GLY 13 1HA GLY 13 -11.404 -1.416 2.644 74 H SER 14 H SER 14 -10.331 -3.206 1.016 75 HA SER 14 HA SER 14 -8.552 -4.793 1.105 76 1HB SER 14 2HB SER 14 -6.876 -2.420 0.339 77 2HB SER 14 1HB SER 14 -6.902 -4.033 -0.367 78 HG SER 14 HG SER 14 -8.281 -3.265 -1.739 79 H THR 15 H THR 15 -5.730 -3.844 1.469 80 HA THR 15 HA THR 15 -5.449 -2.738 4.130 81 HB THR 15 HB THR 15 -5.540 -5.722 3.686 82 HG1 THR 15 HG1 THR 15 -7.004 -5.611 5.252 83 1HG2 THR 15 1HG2 THR 15 -3.763 -4.190 5.504 84 2HG2 THR 15 2HG2 THR 15 -3.565 -5.810 4.835 85 3HG2 THR 15 3HG2 THR 15 -4.621 -5.552 6.224 86 H CYS 16 H CYS 16 -3.823 -1.561 2.873 87 HA CYS 16 HA CYS 16 -1.778 -2.516 1.275 88 1HB CYS 16 2HB CYS 16 -2.242 -0.288 3.123 89 2HB CYS 16 1HB CYS 16 -0.530 -0.667 2.929 90 H SER 17 H SER 17 0.572 -2.928 1.904 91 HA SER 17 HA SER 17 1.015 -4.060 4.597 92 1HB SER 17 2HB SER 17 0.570 -5.617 2.077 93 2HB SER 17 1HB SER 17 1.689 -6.255 3.277 94 HG SER 17 HG SER 17 -0.658 -6.818 3.432 95 H SER 18 H SER 18 2.184 -2.089 2.476 96 HA SER 18 HA SER 18 4.335 -1.483 1.696 97 1HB SER 18 2HB SER 18 4.283 -2.074 4.411 98 2HB SER 18 1HB SER 18 5.683 -2.971 3.828 99 HG SER 18 HG SER 18 5.126 -0.203 3.614 100 H ALA 19 H ALA 19 4.303 -2.868 -0.220 101 HA ALA 19 HA ALA 19 5.652 -5.515 0.082 102 1HB ALA 19 1HB ALA 19 4.472 -6.111 -1.826 103 2HB ALA 19 2HB ALA 19 4.518 -4.476 -2.485 104 3HB ALA 19 3HB ALA 19 3.391 -4.872 -1.187 105 H PHE 20 H PHE 20 6.549 -5.544 -2.677 106 HA PHE 20 HA PHE 20 8.383 -4.850 -4.008 107 1HB PHE 20 2HB PHE 20 7.125 -2.568 -2.986 108 2HB PHE 20 1HB PHE 20 8.835 -2.319 -2.634 109 HD1 PHE 20 HD1 PHE 20 10.307 -1.619 -4.324 110 HD2 PHE 20 HD2 PHE 20 6.512 -3.326 -5.394 111 HE1 PHE 20 HE1 PHE 20 10.722 -1.056 -6.703 112 HE2 PHE 20 HE2 PHE 20 6.929 -2.763 -7.773 113 HZ PHE 20 HZ PHE 20 9.034 -1.628 -8.427 114 H GLY 21 H GLY 21 10.398 -5.690 -3.655 115 1HA GLY 21 2HA GLY 21 12.087 -4.748 -1.494 116 2HA GLY 21 1HA GLY 21 11.505 -6.387 -1.201 117 H PHE 22 H PHE 22 12.012 -5.318 -4.476 118 HA PHE 22 HA PHE 22 14.099 -7.380 -4.827 119 1HB PHE 22 2HB PHE 22 12.192 -7.097 -6.388 120 2HB PHE 22 1HB PHE 22 12.731 -5.455 -6.737 121 HD1 PHE 22 HD1 PHE 22 13.884 -9.013 -6.814 122 HD2 PHE 22 HD2 PHE 22 14.307 -5.057 -8.432 123 HE1 PHE 22 HE1 PHE 22 15.432 -9.886 -8.543 124 HE2 PHE 22 HE2 PHE 22 15.856 -5.930 -10.161 125 HZ PHE 22 HZ PHE 22 16.417 -8.344 -10.218 126 H ARG 23 H ARG 23 13.792 -3.965 -5.858 127 HA ARG 23 HA ARG 23 16.743 -3.659 -5.411 128 1HB ARG 23 2HB ARG 23 15.234 -3.428 -7.722 129 2HB ARG 23 1HB ARG 23 15.368 -1.756 -7.181 130 1HG ARG 23 2HG ARG 23 17.771 -1.872 -7.149 131 2HG ARG 23 1HG ARG 23 17.744 -3.616 -7.409 132 1HD ARG 23 2HD ARG 23 17.419 -3.395 -9.664 133 2HD ARG 23 1HD ARG 23 16.305 -2.028 -9.459 134 HE ARG 23 HE ARG 23 18.251 -0.561 -9.162 135 1HH1 ARG 23 2HH1 ARG 23 20.138 -2.779 -8.252 136 2HH1 ARG 23 1HH1 ARG 23 21.184 -2.910 -9.626 137 1HH2 ARG 23 1HH2 ARG 23 19.062 -1.170 -11.744 138 2HH2 ARG 23 2HH2 ARG 23 20.576 -1.999 -11.601 139 H ASN 24 H ASN 24 13.566 -2.551 -4.632 140 HA ASN 24 HA ASN 24 12.844 -0.931 -3.067 141 1HB ASN 24 2HB ASN 24 15.234 -1.933 -2.192 142 2HB ASN 24 1HB ASN 24 15.614 -0.215 -2.313 143 1HD2 ASN 24 1HD2 ASN 24 13.255 1.024 -1.558 144 2HD2 ASN 24 2HD2 ASN 24 12.826 0.574 0.021 145 H LEU 25 H LEU 25 12.282 0.405 -4.996 146 HA LEU 25 HA LEU 25 13.991 2.857 -5.118 147 1HB LEU 25 2HB LEU 25 13.503 2.802 -7.623 148 2HB LEU 25 1HB LEU 25 14.597 1.552 -7.034 149 HG LEU 25 HG LEU 25 11.763 0.784 -6.915 150 1HD1 LEU 25 1HD1 LEU 25 11.874 0.291 -9.468 151 2HD1 LEU 25 2HD1 LEU 25 13.077 1.580 -9.505 152 3HD1 LEU 25 3HD1 LEU 25 11.438 1.920 -8.949 153 1HD2 LEU 25 1HD2 LEU 25 14.365 -0.387 -7.899 154 2HD2 LEU 25 2HD2 LEU 25 12.828 -1.209 -8.163 155 3HD2 LEU 25 3HD2 LEU 25 13.393 -0.898 -6.519 156 H SER 26 H SER 26 10.794 1.377 -5.471 157 HA SER 26 HA SER 26 9.603 4.106 -5.190 158 1HB SER 26 2HB SER 26 9.743 2.757 -7.553 159 2HB SER 26 1HB SER 26 8.208 2.156 -6.934 160 HG SER 26 HG SER 26 8.724 4.493 -8.060 161 H LEU 27 H LEU 27 9.827 1.025 -3.951 162 HA LEU 27 HA LEU 27 8.502 -0.202 -2.432 163 1HB LEU 27 2HB LEU 27 8.118 2.659 -2.051 164 2HB LEU 27 1HB LEU 27 6.700 1.747 -1.535 165 HG LEU 27 HG LEU 27 8.417 2.040 0.275 166 1HD1 LEU 27 1HD1 LEU 27 7.337 0.194 0.997 167 2HD1 LEU 27 2HD1 LEU 27 8.630 -0.757 0.261 168 3HD1 LEU 27 3HD1 LEU 27 7.158 -0.414 -0.650 169 1HD2 LEU 27 1HD2 LEU 27 10.174 -0.054 -0.693 170 2HD2 LEU 27 2HD2 LEU 27 10.586 1.561 -0.116 171 3HD2 LEU 27 3HD2 LEU 27 10.165 1.311 -1.810 172 H VAL 28 H VAL 28 5.873 2.038 -3.159 173 HA VAL 28 HA VAL 28 3.702 1.569 -3.989 174 HB VAL 28 HB VAL 28 5.528 0.055 -5.886 175 1HG1 VAL 28 1HG1 VAL 28 2.716 0.027 -5.739 176 2HG1 VAL 28 2HG1 VAL 28 3.712 -0.514 -7.091 177 3HG1 VAL 28 3HG1 VAL 28 3.108 1.143 -7.047 178 1HG2 VAL 28 1HG2 VAL 28 4.556 2.901 -5.685 179 2HG2 VAL 28 2HG2 VAL 28 5.009 2.220 -7.249 180 3HG2 VAL 28 3HG2 VAL 28 6.195 2.310 -5.948 181 H TRP 29 H TRP 29 2.831 0.266 -2.289 182 HA TRP 29 HA TRP 29 3.419 -2.620 -2.204 183 1HB TRP 29 2HB TRP 29 1.224 -1.260 -0.672 184 2HB TRP 29 1HB TRP 29 2.298 -2.552 -0.154 185 HD1 TRP 29 HD1 TRP 29 4.927 -0.754 -1.271 186 HE1 TRP 29 HE1 TRP 29 5.794 1.067 0.336 187 HE3 TRP 29 HE3 TRP 29 0.857 -0.258 1.760 188 HZ2 TRP 29 HZ2 TRP 29 4.878 2.537 2.616 189 HZ3 TRP 29 HZ3 TRP 29 0.877 1.356 3.644 190 HH2 TRP 29 HH2 TRP 29 2.883 2.752 4.077 191 H GLY 30 H GLY 30 0.527 -3.023 -1.321 192 1HA GLY 30 2HA GLY 30 -0.974 -2.732 -3.843 193 2HA GLY 30 1HA GLY 30 -0.599 -4.390 -3.375 194 H CYS 31 H CYS 31 -3.151 -2.550 -3.405 195 HA CYS 31 HA CYS 31 -4.074 -2.376 -0.684 196 1HB CYS 31 2HB CYS 31 -5.542 -2.620 -3.333 197 2HB CYS 31 1HB CYS 31 -6.280 -2.103 -1.817 198 H SER 32 H SER 32 -3.333 -4.609 0.021 199 HA SER 32 HA SER 32 -4.281 -7.059 -0.966 200 1HB SER 32 2HB SER 32 -3.080 -5.968 1.405 201 2HB SER 32 1HB SER 32 -4.326 -7.119 1.883 202 HG SER 32 HG SER 32 -2.624 -7.811 -0.219 203 HA PRO 33 HA PRO 33 -8.640 -6.653 -0.314 204 1HB PRO 33 2HB PRO 33 -9.304 -9.265 -0.792 205 2HB PRO 33 1HB PRO 33 -8.898 -8.118 -2.083 206 1HG PRO 33 2HG PRO 33 -7.218 -10.230 -0.830 207 2HG PRO 33 1HG PRO 33 -7.312 -9.718 -2.522 208 1HD PRO 33 2HD PRO 33 -5.306 -8.968 -0.831 209 2HD PRO 33 1HD PRO 33 -5.838 -7.994 -2.219 210 H VAL 34 H VAL 34 -10.151 -7.197 1.350 211 HA VAL 34 HA VAL 34 -8.925 -8.436 3.759 212 HB VAL 34 HB VAL 34 -9.933 -6.209 3.922 213 1HG1 VAL 34 1HG1 VAL 34 -12.566 -6.272 3.649 214 2HG1 VAL 34 2HG1 VAL 34 -12.205 -7.619 2.568 215 3HG1 VAL 34 3HG1 VAL 34 -11.530 -6.023 2.243 216 1HG2 VAL 34 1HG2 VAL 34 -12.049 -7.829 5.233 217 2HG2 VAL 34 2HG2 VAL 34 -10.966 -6.621 5.925 218 3HG2 VAL 34 3HG2 VAL 34 -10.388 -8.261 5.635 219 H GLU 35 HN GLU 35 -9.314 -10.524 2.215 220 HA GLU 35 HA GLU 35 -11.986 -11.651 2.993 221 1HB GLU 35 2HB GLU 35 -11.215 -11.084 0.484 222 2HB GLU 35 1HB GLU 35 -10.469 -12.677 0.632 223 1HG GLU 35 2HG GLU 35 -12.813 -13.377 1.594 224 2HG GLU 35 1HG GLU 35 -13.377 -11.931 0.755 Start of MODEL 7 1 1H ASP 1 1H ASP 1 -6.813 0.778 1.103 2 2H ASP 1 2H ASP 1 -7.004 -0.014 2.595 3 3H ASP 1 3H ASP 1 -5.738 1.098 2.376 4 HA ASP 1 HA ASP 1 -8.620 1.835 2.242 5 1HB ASP 1 2HB ASP 1 -6.703 1.350 4.445 6 2HB ASP 1 1HB ASP 1 -7.571 2.881 4.553 7 H HIS 2 H HIS 2 -8.899 4.071 2.031 8 HA HIS 2 HA HIS 2 -7.550 5.661 0.351 9 1HB HIS 2 2HB HIS 2 -8.242 7.588 1.922 10 2HB HIS 2 1HB HIS 2 -9.507 6.464 1.423 11 HD1 HIS 2 HD1 HIS 2 -7.309 7.323 4.370 12 HD2 HIS 2 HD2 HIS 2 -10.580 4.885 3.506 13 HE1 HIS 2 HE1 HIS 2 -8.154 6.444 6.589 14 H VAL 3 H VAL 3 -5.813 7.127 0.346 15 HA VAL 3 HA VAL 3 -3.643 7.861 0.809 16 HB VAL 3 HB VAL 3 -5.258 8.613 2.789 17 1HG1 VAL 3 1HG1 VAL 3 -3.292 7.712 4.699 18 2HG1 VAL 3 2HG1 VAL 3 -4.053 6.318 3.947 19 3HG1 VAL 3 3HG1 VAL 3 -5.041 7.528 4.751 20 1HG2 VAL 3 1HG2 VAL 3 -3.178 9.719 1.853 21 2HG2 VAL 3 2HG2 VAL 3 -2.255 8.842 3.071 22 3HG2 VAL 3 3HG2 VAL 3 -3.474 10.017 3.567 23 H CYS 4 H CYS 4 -1.579 7.084 1.206 24 HA CYS 4 HA CYS 4 -0.810 4.949 2.904 25 1HB CYS 4 2HB CYS 4 -2.478 4.037 0.924 26 2HB CYS 4 1HB CYS 4 -0.897 3.801 0.178 27 H ASP 5 H ASP 5 0.945 6.544 2.941 28 HA ASP 5 HA ASP 5 3.171 7.127 2.368 29 1HB ASP 5 2HB ASP 5 2.649 4.618 1.216 30 2HB ASP 5 1HB ASP 5 3.335 5.583 -0.093 31 H ASP 6 H ASP 6 0.580 8.249 1.092 32 HA ASP 6 HA ASP 6 0.032 9.861 -0.548 33 1HB ASP 6 2HB ASP 6 2.887 10.201 0.237 34 2HB ASP 6 1HB ASP 6 2.323 11.126 -1.155 35 H ASN 7 H ASN 7 1.165 7.064 -1.387 36 HA ASN 7 HA ASN 7 1.469 7.798 -4.265 37 1HB ASN 7 2HB ASN 7 3.709 7.520 -3.253 38 2HB ASN 7 1HB ASN 7 3.248 5.916 -2.682 39 1HD2 ASN 7 1HD2 ASN 7 3.851 4.247 -4.069 40 2HD2 ASN 7 2HD2 ASN 7 4.093 4.406 -5.741 41 H PHE 8 H PHE 8 -0.380 6.247 -2.143 42 HA PHE 8 HA PHE 8 -1.563 4.458 -4.065 43 1HB PHE 8 2HB PHE 8 0.708 3.409 -3.426 44 2HB PHE 8 1HB PHE 8 -0.029 3.076 -1.859 45 HD1 PHE 8 HD1 PHE 8 -2.016 1.591 -1.691 46 HD2 PHE 8 HD2 PHE 8 0.065 2.188 -5.401 47 HE1 PHE 8 HE1 PHE 8 -3.133 -0.411 -2.639 48 HE2 PHE 8 HE2 PHE 8 -1.050 0.185 -6.349 49 HZ PHE 8 HZ PHE 8 -2.648 -1.114 -4.968 50 H SER 9 H SER 9 -3.298 3.105 -3.014 51 HA SER 9 HA SER 9 -3.996 3.176 -0.281 52 1HB SER 9 2HB SER 9 -5.788 5.106 -0.665 53 2HB SER 9 1HB SER 9 -4.134 5.488 -0.193 54 HG SER 9 HG SER 9 -5.288 6.452 -2.224 55 H CYS 10 H CYS 10 -5.907 2.039 0.042 56 HA CYS 10 HA CYS 10 -7.551 1.406 -2.392 57 1HB CYS 10 2HB CYS 10 -6.072 -0.214 -0.455 58 2HB CYS 10 1HB CYS 10 -7.759 -0.707 -0.566 59 HA PRO 11 HA PRO 11 -10.964 2.294 0.265 60 1HB PRO 11 2HB PRO 11 -12.788 0.313 -0.208 61 2HB PRO 11 1HB PRO 11 -12.361 1.544 -1.412 62 1HG PRO 11 2HG PRO 11 -11.683 -1.302 -1.337 63 2HG PRO 11 1HG PRO 11 -11.672 -0.175 -2.698 64 1HD PRO 11 2HD PRO 11 -9.443 -1.110 -1.154 65 2HD PRO 11 1HD PRO 11 -9.430 0.006 -2.537 66 H ALA 12 H ALA 12 -12.760 0.969 1.797 67 HA ALA 12 HA ALA 12 -11.110 -0.093 3.984 68 1HB ALA 12 1HB ALA 12 -12.765 1.074 5.001 69 2HB ALA 12 2HB ALA 12 -13.826 -0.286 4.630 70 3HB ALA 12 3HB ALA 12 -13.740 1.090 3.531 71 H GLY 13 H GLY 13 -12.345 -1.503 1.261 72 1HA GLY 13 2HA GLY 13 -13.370 -3.954 2.549 73 2HA GLY 13 1HA GLY 13 -13.302 -3.651 0.812 74 H SER 14 H SER 14 -10.452 -2.775 0.999 75 HA SER 14 HA SER 14 -9.253 -5.511 1.179 76 1HB SER 14 2HB SER 14 -8.134 -3.064 -0.197 77 2HB SER 14 1HB SER 14 -7.763 -4.757 -0.519 78 HG SER 14 HG SER 14 -9.524 -3.308 -1.740 79 H THR 15 H THR 15 -6.549 -4.261 1.094 80 HA THR 15 HA THR 15 -6.290 -2.702 3.567 81 HB THR 15 HB THR 15 -5.160 -5.509 3.479 82 HG1 THR 15 HG1 THR 15 -6.974 -5.797 5.055 83 1HG2 THR 15 1HG2 THR 15 -5.797 -4.267 6.049 84 2HG2 THR 15 2HG2 THR 15 -4.634 -3.330 5.111 85 3HG2 THR 15 3HG2 THR 15 -4.295 -5.016 5.506 86 H CYS 16 H CYS 16 -4.620 -1.349 3.100 87 HA CYS 16 HA CYS 16 -2.863 -1.508 0.912 88 1HB CYS 16 2HB CYS 16 -3.374 0.116 3.164 89 2HB CYS 16 1HB CYS 16 -1.650 -0.246 3.221 90 H SER 17 H SER 17 -1.258 -2.994 0.495 91 HA SER 17 HA SER 17 -0.312 -4.863 2.502 92 1HB SER 17 2HB SER 17 -0.065 -4.338 -0.362 93 2HB SER 17 1HB SER 17 1.451 -4.898 0.338 94 HG SER 17 HG SER 17 -0.299 -6.478 -0.394 95 H SER 18 H SER 18 2.007 -3.128 0.481 96 HA SER 18 HA SER 18 3.072 -1.401 2.508 97 1HB SER 18 2HB SER 18 4.718 -2.747 3.501 98 2HB SER 18 1HB SER 18 3.389 -3.886 3.311 99 HG SER 18 HG SER 18 4.520 -4.139 1.096 100 H ALA 19 H ALA 19 5.895 -2.436 1.607 101 HA ALA 19 HA ALA 19 6.231 -2.192 -1.182 102 1HB ALA 19 1HB ALA 19 5.603 0.295 0.309 103 2HB ALA 19 2HB ALA 19 5.365 -0.079 -1.397 104 3HB ALA 19 3HB ALA 19 6.955 0.416 -0.817 105 H PHE 20 H PHE 20 8.561 -1.580 -1.728 106 HA PHE 20 HA PHE 20 10.298 -2.073 0.661 107 1HB PHE 20 2HB PHE 20 11.884 -2.628 -1.470 108 2HB PHE 20 1HB PHE 20 10.870 -3.823 -0.678 109 HD1 PHE 20 HD1 PHE 20 10.623 -1.188 -3.353 110 HD2 PHE 20 HD2 PHE 20 9.450 -5.090 -1.995 111 HE1 PHE 20 HE1 PHE 20 9.426 -1.573 -5.491 112 HE2 PHE 20 HE2 PHE 20 8.251 -5.474 -4.130 113 HZ PHE 20 HZ PHE 20 8.241 -3.719 -5.879 114 H GLY 21 H GLY 21 10.939 -0.054 1.346 115 1HA GLY 21 2HA GLY 21 11.701 2.006 -0.627 116 2HA GLY 21 1HA GLY 21 11.648 2.217 1.125 117 H PHE 22 H PHE 22 13.193 -0.661 0.512 118 HA PHE 22 HA PHE 22 15.897 0.638 0.461 119 1HB PHE 22 2HB PHE 22 15.091 -0.134 2.714 120 2HB PHE 22 1HB PHE 22 14.977 -1.769 2.065 121 HD1 PHE 22 HD1 PHE 22 17.576 0.781 1.282 122 HD2 PHE 22 HD2 PHE 22 16.667 -2.902 3.297 123 HE1 PHE 22 HE1 PHE 22 19.989 0.432 1.734 124 HE2 PHE 22 HE2 PHE 22 19.080 -3.250 3.748 125 HZ PHE 22 HZ PHE 22 20.741 -1.584 2.966 126 H ARG 23 H ARG 23 17.518 -0.593 -0.656 127 HA ARG 23 HA ARG 23 18.356 -2.234 -2.151 128 1HB ARG 23 2HB ARG 23 16.611 -3.517 -0.403 129 2HB ARG 23 1HB ARG 23 16.014 -3.989 -1.995 130 1HG ARG 23 2HG ARG 23 17.777 -5.534 -1.082 131 2HG ARG 23 1HG ARG 23 18.200 -4.816 -2.636 132 1HD ARG 23 2HD ARG 23 19.080 -3.043 -0.549 133 2HD ARG 23 1HD ARG 23 19.694 -4.676 -0.220 134 HE ARG 23 HE ARG 23 19.926 -3.909 -3.029 135 1HH1 ARG 23 1HH2 ARG 23 21.608 -5.295 -0.586 136 2HH1 ARG 23 2HH2 ARG 23 23.106 -4.470 -0.859 137 1HH2 ARG 23 2HH1 ARG 23 21.753 -2.189 -3.092 138 2HH2 ARG 23 1HH1 ARG 23 23.186 -2.708 -2.270 139 H ASN 24 H ASN 24 14.778 -2.067 -2.471 140 HA ASN 24 HA ASN 24 14.962 -2.145 -5.401 141 1HB ASN 24 2HB ASN 24 12.869 -2.119 -3.264 142 2HB ASN 24 1HB ASN 24 12.385 -1.644 -4.892 143 1HD2 ASN 24 1HD2 ASN 24 15.026 -3.924 -4.588 144 2HD2 ASN 24 2HD2 ASN 24 14.152 -5.299 -5.067 145 H LEU 25 H LEU 25 15.127 0.273 -2.998 146 HA LEU 25 HA LEU 25 14.953 2.631 -3.078 147 1HB LEU 25 2HB LEU 25 15.794 1.820 -5.876 148 2HB LEU 25 1HB LEU 25 15.796 3.496 -5.323 149 HG LEU 25 HG LEU 25 18.017 2.673 -4.967 150 1HD1 LEU 25 1HD1 LEU 25 16.550 3.739 -2.966 151 2HD1 LEU 25 2HD1 LEU 25 18.248 3.304 -2.771 152 3HD1 LEU 25 3HD1 LEU 25 16.987 2.204 -2.215 153 1HD2 LEU 25 1HD2 LEU 25 17.199 0.445 -3.181 154 2HD2 LEU 25 2HD2 LEU 25 18.536 0.533 -4.329 155 3HD2 LEU 25 3HD2 LEU 25 16.901 0.202 -4.902 156 H SER 26 H SER 26 12.493 1.025 -3.708 157 HA SER 26 HA SER 26 10.978 3.212 -5.059 158 1HB SER 26 2HB SER 26 9.791 0.906 -6.004 159 2HB SER 26 1HB SER 26 10.968 1.863 -6.897 160 HG SER 26 HG SER 26 12.556 0.493 -6.281 161 H LEU 27 H LEU 27 8.494 1.753 -5.016 162 HA LEU 27 HA LEU 27 8.140 1.259 -2.080 163 1HB LEU 27 2HB LEU 27 7.118 3.329 -3.805 164 2HB LEU 27 1HB LEU 27 5.773 2.361 -3.199 165 HG LEU 27 HG LEU 27 6.454 2.715 -0.911 166 1HD1 LEU 27 1HD1 LEU 27 8.718 2.746 -0.657 167 2HD1 LEU 27 2HD1 LEU 27 8.527 4.490 -0.842 168 3HD1 LEU 27 3HD1 LEU 27 8.982 3.500 -2.229 169 1HD2 LEU 27 1HD2 LEU 27 6.907 5.465 -1.405 170 2HD2 LEU 27 2HD2 LEU 27 5.365 4.684 -1.056 171 3HD2 LEU 27 3HD2 LEU 27 5.889 4.893 -2.727 172 H VAL 28 H VAL 28 6.044 1.104 -4.990 173 HA VAL 28 HA VAL 28 4.706 -0.675 -5.793 174 HB VAL 28 HB VAL 28 7.129 -1.983 -4.555 175 1HG1 VAL 28 1HG1 VAL 28 6.030 -3.908 -6.192 176 2HG1 VAL 28 2HG1 VAL 28 4.606 -3.241 -5.393 177 3HG1 VAL 28 3HG1 VAL 28 5.927 -3.904 -4.432 178 1HG2 VAL 28 1HG2 VAL 28 7.925 -2.089 -6.744 179 2HG2 VAL 28 2HG2 VAL 28 6.988 -0.596 -6.805 180 3HG2 VAL 28 3HG2 VAL 28 6.305 -2.093 -7.441 181 H TRP 29 H TRP 29 2.753 -0.845 -4.711 182 HA TRP 29 HA TRP 29 2.790 -2.035 -1.954 183 1HB TRP 29 2HB TRP 29 1.108 0.063 -3.324 184 2HB TRP 29 1HB TRP 29 0.540 -0.743 -1.863 185 HD1 TRP 29 HD1 TRP 29 3.656 1.195 -3.075 186 HE1 TRP 29 HE1 TRP 29 4.608 2.515 -1.077 187 HE3 TRP 29 HE3 TRP 29 0.490 -0.378 0.608 188 HZ2 TRP 29 HZ2 TRP 29 4.095 2.856 1.717 189 HZ3 TRP 29 HZ3 TRP 29 0.741 0.462 2.927 190 HH2 TRP 29 HH2 TRP 29 2.539 2.075 3.485 191 H GLY 30 H GLY 30 0.418 -2.955 -1.508 192 1HA GLY 30 2HA GLY 30 -0.658 -4.332 -3.911 193 2HA GLY 30 1HA GLY 30 -0.092 -5.339 -2.578 194 H CYS 31 H CYS 31 -2.846 -5.074 -3.605 195 HA CYS 31 HA CYS 31 -4.151 -4.008 -1.120 196 1HB CYS 31 2HB CYS 31 -4.458 -2.772 -3.345 197 2HB CYS 31 1HB CYS 31 -5.367 -4.183 -3.888 198 H SER 32 H SER 32 -4.902 -5.717 0.064 199 HA SER 32 HA SER 32 -5.719 -8.210 -1.368 200 1HB SER 32 2HB SER 32 -4.461 -7.482 1.208 201 2HB SER 32 1HB SER 32 -5.633 -8.792 1.304 202 HG SER 32 HG SER 32 -3.146 -8.713 0.149 203 HA PRO 33 HA PRO 33 -9.821 -6.698 -0.273 204 1HB PRO 33 2HB PRO 33 -11.158 -8.447 -1.900 205 2HB PRO 33 1HB PRO 33 -10.413 -6.950 -2.496 206 1HG PRO 33 2HG PRO 33 -9.425 -9.749 -2.660 207 2HG PRO 33 1HG PRO 33 -9.306 -8.437 -3.842 208 1HD PRO 33 2HD PRO 33 -7.247 -9.216 -2.215 209 2HD PRO 33 1HD PRO 33 -7.412 -7.582 -2.894 210 H VAL 34 H VAL 34 -11.591 -7.710 0.927 211 HA VAL 34 HA VAL 34 -10.725 -9.978 2.569 212 HB VAL 34 HB VAL 34 -13.305 -8.382 2.435 213 1HG1 VAL 34 1HG1 VAL 34 -12.946 -9.270 5.029 214 2HG1 VAL 34 2HG1 VAL 34 -12.399 -10.648 4.074 215 3HG1 VAL 34 3HG1 VAL 34 -14.026 -10.008 3.846 216 1HG2 VAL 34 1HG2 VAL 34 -10.762 -7.508 3.105 217 2HG2 VAL 34 2HG2 VAL 34 -11.453 -7.937 4.669 218 3HG2 VAL 34 3HG2 VAL 34 -12.269 -6.761 3.637 219 H GLU 35 HN GLU 35 -12.697 -9.502 -0.256 220 HA GLU 35 HA GLU 35 -13.287 -12.416 -0.318 221 1HB GLU 35 2HB GLU 35 -15.680 -11.946 -0.709 222 2HB GLU 35 1HB GLU 35 -15.166 -11.283 0.844 223 1HG GLU 35 2HG GLU 35 -16.341 -9.484 -0.077 224 2HG GLU 35 1HG GLU 35 -14.682 -9.112 -0.545 Start of MODEL 8 1 1H ASP 1 1H ASP 1 -12.212 5.637 2.504 2 2H ASP 1 2H ASP 1 -12.379 4.052 1.914 3 3H ASP 1 3H ASP 1 -13.085 5.353 1.079 4 HA ASP 1 HA ASP 1 -10.938 4.439 0.108 5 1HB ASP 1 2HB ASP 1 -11.604 7.282 0.860 6 2HB ASP 1 1HB ASP 1 -10.189 6.934 -0.135 7 H HIS 2 H HIS 2 -8.969 3.687 0.794 8 HA HIS 2 HA HIS 2 -7.880 4.645 3.390 9 1HB HIS 2 2HB HIS 2 -7.537 2.293 1.564 10 2HB HIS 2 1HB HIS 2 -6.234 2.678 2.685 11 HD1 HIS 2 HD1 HIS 2 -8.325 3.772 4.927 12 HD2 HIS 2 HD2 HIS 2 -8.330 0.021 3.106 13 HE1 HIS 2 HE1 HIS 2 -9.567 2.220 6.491 14 H VAL 3 H VAL 3 -5.160 4.187 2.954 15 HA VAL 3 HA VAL 3 -4.270 5.717 0.599 16 HB VAL 3 HB VAL 3 -5.012 7.502 2.046 17 1HG1 VAL 3 1HG1 VAL 3 -5.153 7.105 4.256 18 2HG1 VAL 3 2HG1 VAL 3 -3.398 7.256 4.353 19 3HG1 VAL 3 3HG1 VAL 3 -4.135 5.674 4.104 20 1HG2 VAL 3 1HG2 VAL 3 -2.963 8.116 1.022 21 2HG2 VAL 3 2HG2 VAL 3 -2.027 7.031 2.051 22 3HG2 VAL 3 3HG2 VAL 3 -2.726 8.504 2.725 23 H CYS 4 H CYS 4 -2.455 4.596 0.013 24 HA CYS 4 HA CYS 4 -0.790 3.325 2.147 25 1HB CYS 4 2HB CYS 4 -0.764 2.876 -0.850 26 2HB CYS 4 1HB CYS 4 -0.110 1.815 0.398 27 H ASP 5 H ASP 5 0.633 5.006 2.734 28 HA ASP 5 HA ASP 5 2.611 6.291 2.508 29 1HB ASP 5 2HB ASP 5 3.008 4.263 0.907 30 2HB ASP 5 1HB ASP 5 2.702 5.431 -0.375 31 H ASP 6 H ASP 6 -0.256 7.031 1.397 32 HA ASP 6 HA ASP 6 -1.169 9.098 0.686 33 1HB ASP 6 2HB ASP 6 1.155 9.754 1.814 34 2HB ASP 6 1HB ASP 6 1.581 10.148 0.148 35 H ASN 7 H ASN 7 1.768 8.256 -1.225 36 HA ASN 7 HA ASN 7 0.661 9.286 -3.699 37 1HB ASN 7 2HB ASN 7 2.703 8.461 -4.624 38 2HB ASN 7 1HB ASN 7 3.102 8.959 -2.980 39 1HD2 ASN 7 1HD2 ASN 7 3.048 6.268 -5.162 40 2HD2 ASN 7 2HD2 ASN 7 3.513 5.078 -4.045 41 H PHE 8 H PHE 8 -1.363 7.689 -2.779 42 HA PHE 8 HA PHE 8 -1.837 5.854 -4.915 43 1HB PHE 8 2HB PHE 8 0.038 4.828 -3.319 44 2HB PHE 8 1HB PHE 8 -1.366 4.363 -2.360 45 HD1 PHE 8 HD1 PHE 8 -0.974 4.655 -6.067 46 HD2 PHE 8 HD2 PHE 8 -1.664 2.057 -2.716 47 HE1 PHE 8 HE1 PHE 8 -1.423 2.772 -7.619 48 HE2 PHE 8 HE2 PHE 8 -2.110 0.175 -4.269 49 HZ PHE 8 HZ PHE 8 -1.990 0.533 -6.719 50 H SER 9 H SER 9 -3.632 4.110 -3.884 51 HA SER 9 HA SER 9 -5.293 5.259 -1.781 52 1HB SER 9 2HB SER 9 -6.878 6.340 -3.083 53 2HB SER 9 1HB SER 9 -5.455 6.603 -4.088 54 HG SER 9 HG SER 9 -6.052 4.793 -5.304 55 H CYS 10 H CYS 10 -7.154 3.897 -1.344 56 HA CYS 10 HA CYS 10 -7.690 1.530 -2.982 57 1HB CYS 10 2HB CYS 10 -5.815 1.545 -0.686 58 2HB CYS 10 1HB CYS 10 -6.997 0.236 -0.675 59 HA PRO 11 HA PRO 11 -11.463 2.110 -0.774 60 1HB PRO 11 2HB PRO 11 -12.662 -0.278 -1.355 61 2HB PRO 11 1HB PRO 11 -12.500 1.036 -2.536 62 1HG PRO 11 2HG PRO 11 -10.876 -1.441 -2.229 63 2HG PRO 11 1HG PRO 11 -11.422 -0.625 -3.703 64 1HD PRO 11 2HD PRO 11 -8.890 -0.411 -2.718 65 2HD PRO 11 1HD PRO 11 -9.676 0.855 -3.688 66 H ALA 12 H ALA 12 -12.736 1.038 1.012 67 HA ALA 12 HA ALA 12 -11.013 0.054 3.099 68 1HB ALA 12 1HB ALA 12 -12.815 0.950 4.135 69 2HB ALA 12 2HB ALA 12 -13.688 -0.528 3.731 70 3HB ALA 12 3HB ALA 12 -13.771 0.868 2.655 71 H GLY 13 H GLY 13 -12.667 -1.525 0.509 72 1HA GLY 13 2HA GLY 13 -13.058 -4.093 1.777 73 2HA GLY 13 1HA GLY 13 -13.045 -3.798 0.038 74 H SER 14 H SER 14 -10.283 -2.421 0.732 75 HA SER 14 HA SER 14 -8.729 -4.987 0.654 76 1HB SER 14 2HB SER 14 -8.172 -2.306 -0.655 77 2HB SER 14 1HB SER 14 -7.200 -3.762 -0.843 78 HG SER 14 HG SER 14 -8.628 -3.623 -2.559 79 H THR 15 H THR 15 -6.216 -3.418 0.723 80 HA THR 15 HA THR 15 -6.159 -1.832 3.165 81 HB THR 15 HB THR 15 -5.397 -4.761 3.162 82 HG1 THR 15 HG1 THR 15 -7.263 -3.115 4.390 83 1HG2 THR 15 1HG2 THR 15 -3.525 -3.881 4.236 84 2HG2 THR 15 2HG2 THR 15 -4.633 -4.102 5.589 85 3HG2 THR 15 3HG2 THR 15 -4.416 -2.502 4.878 86 H CYS 16 H CYS 16 -4.083 -0.877 3.454 87 HA CYS 16 HA CYS 16 -2.357 -0.776 1.140 88 1HB CYS 16 2HB CYS 16 -2.242 0.213 3.996 89 2HB CYS 16 1HB CYS 16 -0.935 0.531 2.857 90 H SER 17 H SER 17 -1.387 -2.806 0.696 91 HA SER 17 HA SER 17 -0.422 -4.717 2.508 92 1HB SER 17 2HB SER 17 -0.343 -5.422 0.320 93 2HB SER 17 1HB SER 17 0.153 -3.843 -0.274 94 HG SER 17 HG SER 17 1.861 -5.422 1.321 95 H SER 18 H SER 18 2.164 -3.142 0.716 96 HA SER 18 HA SER 18 3.239 -1.631 2.919 97 1HB SER 18 2HB SER 18 4.957 -3.232 3.632 98 2HB SER 18 1HB SER 18 3.356 -3.943 3.813 99 HG SER 18 HG SER 18 5.226 -5.098 2.628 100 H ALA 19 H ALA 19 5.354 -3.777 1.130 101 HA ALA 19 HA ALA 19 6.417 -1.397 -0.329 102 1HB ALA 19 1HB ALA 19 8.494 -2.662 -0.354 103 2HB ALA 19 2HB ALA 19 7.663 -4.105 0.224 104 3HB ALA 19 3HB ALA 19 7.835 -2.705 1.281 105 H PHE 20 H PHE 20 7.892 -2.838 -2.254 106 HA PHE 20 HA PHE 20 5.939 -3.185 -4.317 107 1HB PHE 20 2HB PHE 20 7.840 -3.569 -5.682 108 2HB PHE 20 1HB PHE 20 8.453 -2.549 -4.383 109 HD1 PHE 20 HD1 PHE 20 8.787 -5.672 -6.099 110 HD2 PHE 20 HD2 PHE 20 9.525 -3.728 -2.341 111 HE1 PHE 20 HE1 PHE 20 10.434 -7.429 -5.513 112 HE2 PHE 20 HE2 PHE 20 11.173 -5.484 -1.756 113 HZ PHE 20 HZ PHE 20 11.627 -7.337 -3.342 114 H GLY 21 H GLY 21 6.905 -5.559 -5.619 115 1HA GLY 21 2HA GLY 21 7.122 -7.960 -4.430 116 2HA GLY 21 1HA GLY 21 5.445 -7.580 -4.033 117 H PHE 22 H PHE 22 7.145 -6.759 -7.038 118 HA PHE 22 HA PHE 22 5.628 -8.850 -8.501 119 1HB PHE 22 2HB PHE 22 4.484 -7.235 -9.879 120 2HB PHE 22 1HB PHE 22 4.220 -6.755 -8.202 121 HD1 PHE 22 HD1 PHE 22 5.348 -5.685 -11.401 122 HD2 PHE 22 HD2 PHE 22 5.961 -5.075 -7.194 123 HE1 PHE 22 HE1 PHE 22 6.374 -3.478 -11.871 124 HE2 PHE 22 HE2 PHE 22 6.989 -2.867 -7.664 125 HZ PHE 22 HZ PHE 22 7.194 -2.068 -10.003 126 H ARG 23 H ARG 23 7.976 -6.180 -8.580 127 HA ARG 23 HA ARG 23 9.853 -7.676 -10.168 128 1HB ARG 23 2HB ARG 23 8.257 -7.391 -11.939 129 2HB ARG 23 1HB ARG 23 8.020 -5.691 -11.535 130 1HG ARG 23 2HG ARG 23 9.510 -6.103 -13.543 131 2HG ARG 23 1HG ARG 23 10.241 -5.125 -12.270 132 1HD ARG 23 2HD ARG 23 11.874 -6.792 -12.973 133 2HD ARG 23 1HD ARG 23 11.287 -7.260 -11.364 134 HE ARG 23 HE ARG 23 10.507 -9.212 -12.435 135 1HH1 ARG 23 2HH1 ARG 23 11.712 -8.293 -15.098 136 2HH1 ARG 23 1HH1 ARG 23 10.318 -8.356 -16.124 137 1HH2 ARG 23 1HH2 ARG 23 8.062 -8.504 -13.495 138 2HH2 ARG 23 2HH2 ARG 23 8.250 -8.472 -15.215 139 H ASN 24 H ASN 24 8.673 -4.339 -9.601 140 HA ASN 24 HA ASN 24 11.346 -3.190 -9.716 141 1HB ASN 24 2HB ASN 24 9.052 -2.141 -10.228 142 2HB ASN 24 1HB ASN 24 8.859 -1.998 -8.481 143 1HD2 ASN 24 1HD2 ASN 24 9.452 0.040 -10.811 144 2HD2 ASN 24 2HD2 ASN 24 10.725 0.967 -10.178 145 H LEU 25 H LEU 25 12.714 -2.716 -7.999 146 HA LEU 25 HA LEU 25 12.063 -3.947 -5.378 147 1HB LEU 25 2HB LEU 25 14.505 -2.880 -6.790 148 2HB LEU 25 1HB LEU 25 14.552 -3.203 -5.057 149 HG LEU 25 HG LEU 25 15.311 -5.150 -6.430 150 1HD1 LEU 25 1HD1 LEU 25 14.046 -6.794 -5.193 151 2HD1 LEU 25 2HD1 LEU 25 12.691 -5.681 -5.002 152 3HD1 LEU 25 3HD1 LEU 25 14.211 -5.371 -4.164 153 1HD2 LEU 25 1HD2 LEU 25 13.540 -4.554 -8.250 154 2HD2 LEU 25 2HD2 LEU 25 12.426 -5.480 -7.244 155 3HD2 LEU 25 3HD2 LEU 25 13.857 -6.256 -7.919 156 H SER 26 H SER 26 10.472 -1.709 -5.795 157 HA SER 26 HA SER 26 11.793 0.428 -4.153 158 1HB SER 26 2HB SER 26 11.248 1.294 -6.292 159 2HB SER 26 1HB SER 26 9.722 0.417 -6.350 160 HG SER 26 HG SER 26 8.855 2.104 -5.471 161 H LEU 27 H LEU 27 9.458 1.800 -3.420 162 HA LEU 27 HA LEU 27 8.448 0.064 -1.294 163 1HB LEU 27 2HB LEU 27 8.488 2.902 -2.046 164 2HB LEU 27 1HB LEU 27 6.963 2.411 -1.305 165 HG LEU 27 HG LEU 27 8.577 3.157 0.407 166 1HD1 LEU 27 1HD1 LEU 27 8.037 1.472 1.892 167 2HD1 LEU 27 2HD1 LEU 27 8.488 0.191 0.767 168 3HD1 LEU 27 3HD1 LEU 27 6.954 1.040 0.570 169 1HD2 LEU 27 1HD2 LEU 27 10.754 2.560 0.328 170 2HD2 LEU 27 2HD2 LEU 27 10.416 1.801 -1.227 171 3HD2 LEU 27 3HD2 LEU 27 10.337 0.848 0.254 172 H VAL 28 H VAL 28 6.336 2.216 -3.146 173 HA VAL 28 HA VAL 28 4.233 1.756 -4.136 174 HB VAL 28 HB VAL 28 6.055 -0.545 -4.761 175 1HG1 VAL 28 1HG1 VAL 28 3.820 -1.584 -4.413 176 2HG1 VAL 28 2HG1 VAL 28 4.319 -1.640 -6.105 177 3HG1 VAL 28 3HG1 VAL 28 3.133 -0.448 -5.576 178 1HG2 VAL 28 1HG2 VAL 28 4.884 1.829 -6.085 179 2HG2 VAL 28 2HG2 VAL 28 5.003 0.390 -7.099 180 3HG2 VAL 28 3HG2 VAL 28 6.449 1.056 -6.338 181 H TRP 29 H TRP 29 2.297 0.221 -3.869 182 HA TRP 29 HA TRP 29 2.482 -1.397 -1.363 183 1HB TRP 29 2HB TRP 29 0.632 0.904 -2.024 184 2HB TRP 29 1HB TRP 29 0.281 -0.245 -0.730 185 HD1 TRP 29 HD1 TRP 29 3.169 2.084 -1.831 186 HE1 TRP 29 HE1 TRP 29 4.365 2.936 0.283 187 HE3 TRP 29 HE3 TRP 29 0.548 -0.448 1.747 188 HZ2 TRP 29 HZ2 TRP 29 4.224 2.606 3.115 189 HZ3 TRP 29 HZ3 TRP 29 1.095 -0.155 4.147 190 HH2 TRP 29 HH2 TRP 29 2.928 1.368 4.836 191 H GLY 30 H GLY 30 1.360 -3.296 -1.523 192 1HA GLY 30 2HA GLY 30 -0.179 -3.766 -4.021 193 2HA GLY 30 1HA GLY 30 0.421 -5.017 -2.937 194 H CYS 31 H CYS 31 -2.293 -3.089 -3.754 195 HA CYS 31 HA CYS 31 -3.749 -3.135 -1.283 196 1HB CYS 31 2HB CYS 31 -4.067 -2.045 -3.736 197 2HB CYS 31 1HB CYS 31 -5.167 -3.415 -3.890 198 H SER 32 H SER 32 -4.610 -4.885 -0.234 199 HA SER 32 HA SER 32 -5.241 -7.342 -1.838 200 1HB SER 32 2HB SER 32 -4.469 -7.946 0.868 201 2HB SER 32 1HB SER 32 -3.690 -8.449 -0.630 202 HG SER 32 HG SER 32 -2.372 -6.739 -0.533 203 HA PRO 33 HA PRO 33 -9.078 -7.460 0.279 204 1HB PRO 33 2HB PRO 33 -9.372 -10.094 0.958 205 2HB PRO 33 1HB PRO 33 -9.504 -9.505 -0.712 206 1HG PRO 33 2HG PRO 33 -7.223 -10.847 0.645 207 2HG PRO 33 1HG PRO 33 -7.821 -11.038 -1.010 208 1HD PRO 33 2HD PRO 33 -5.623 -9.556 -0.365 209 2HD PRO 33 1HD PRO 33 -6.645 -9.228 -1.781 210 H VAL 34 H VAL 34 -9.485 -6.667 2.290 211 HA VAL 34 HA VAL 34 -7.733 -7.044 4.539 212 HB VAL 34 HB VAL 34 -9.094 -5.060 4.253 213 1HG1 VAL 34 1HG1 VAL 34 -11.192 -7.091 3.807 214 2HG1 VAL 34 2HG1 VAL 34 -11.039 -5.464 3.141 215 3HG1 VAL 34 3HG1 VAL 34 -11.707 -5.697 4.757 216 1HG2 VAL 34 1HG2 VAL 34 -10.461 -6.512 6.512 217 2HG2 VAL 34 2HG2 VAL 34 -9.901 -4.840 6.450 218 3HG2 VAL 34 3HG2 VAL 34 -8.736 -6.155 6.602 219 H GLU 35 HN GLU 35 -7.619 -9.394 4.731 220 HA GLU 35 HA GLU 35 -9.481 -11.364 4.943 221 1HB GLU 35 2HB GLU 35 -6.936 -10.696 6.164 222 2HB GLU 35 1HB GLU 35 -7.923 -11.649 7.271 223 1HG GLU 35 2HG GLU 35 -8.345 -13.245 5.337 224 2HG GLU 35 1HG GLU 35 -7.091 -12.374 4.454 Start of MODEL 9 1 1H ASP 1 1H ASP 1 -12.658 4.156 0.328 2 2H ASP 1 2H ASP 1 -13.550 5.570 0.030 3 3H ASP 1 3H ASP 1 -12.612 5.437 1.439 4 HA ASP 1 HA ASP 1 -11.181 5.118 -1.084 5 1HB ASP 1 2HB ASP 1 -11.236 7.553 -1.466 6 2HB ASP 1 1HB ASP 1 -12.873 6.896 -1.506 7 H HIS 2 H HIS 2 -10.306 4.132 1.252 8 HA HIS 2 HA HIS 2 -9.076 5.919 3.112 9 1HB HIS 2 2HB HIS 2 -9.150 3.101 2.428 10 2HB HIS 2 1HB HIS 2 -7.520 3.579 2.905 11 HD1 HIS 2 HD1 HIS 2 -8.448 5.836 4.928 12 HD2 HIS 2 HD2 HIS 2 -9.832 1.905 4.898 13 HE1 HIS 2 HE1 HIS 2 -9.316 5.365 7.260 14 H VAL 3 H VAL 3 -6.349 5.029 3.075 15 HA VAL 3 HA VAL 3 -5.296 6.200 0.523 16 HB VAL 3 HB VAL 3 -4.293 6.802 3.321 17 1HG1 VAL 3 1HG1 VAL 3 -3.601 7.643 0.550 18 2HG1 VAL 3 2HG1 VAL 3 -2.560 7.450 1.961 19 3HG1 VAL 3 3HG1 VAL 3 -3.559 8.893 1.794 20 1HG2 VAL 3 1HG2 VAL 3 -6.045 8.566 1.588 21 2HG2 VAL 3 2HG2 VAL 3 -5.535 8.865 3.248 22 3HG2 VAL 3 3HG2 VAL 3 -6.677 7.566 2.898 23 H CYS 4 H CYS 4 -2.725 5.854 0.610 24 HA CYS 4 HA CYS 4 -1.889 3.420 2.039 25 1HB CYS 4 2HB CYS 4 -3.165 3.271 -0.472 26 2HB CYS 4 1HB CYS 4 -1.454 3.041 -0.812 27 H ASP 5 H ASP 5 -0.381 5.174 2.760 28 HA ASP 5 HA ASP 5 1.800 6.077 2.738 29 1HB ASP 5 2HB ASP 5 1.729 3.784 0.956 30 2HB ASP 5 1HB ASP 5 2.911 4.974 0.408 31 H ASP 6 H ASP 6 -0.501 7.253 1.057 32 HA ASP 6 HA ASP 6 -0.695 9.219 -0.257 33 1HB ASP 6 2HB ASP 6 1.471 9.603 1.169 34 2HB ASP 6 1HB ASP 6 2.313 9.300 -0.350 35 H ASN 7 H ASN 7 0.676 6.354 -1.308 36 HA ASN 7 HA ASN 7 1.170 7.360 -4.077 37 1HB ASN 7 2HB ASN 7 2.905 6.007 -2.948 38 2HB ASN 7 1HB ASN 7 1.740 4.701 -2.727 39 1HD2 ASN 7 1HD2 ASN 7 3.231 3.350 -4.103 40 2HD2 ASN 7 2HD2 ASN 7 3.178 3.519 -5.791 41 H PHE 8 H PHE 8 -1.015 5.434 -2.151 42 HA PHE 8 HA PHE 8 -2.799 5.143 -4.499 43 1HB PHE 8 2HB PHE 8 -1.225 3.182 -4.426 44 2HB PHE 8 1HB PHE 8 -1.866 2.785 -2.831 45 HD1 PHE 8 HD1 PHE 8 -3.933 1.631 -2.587 46 HD2 PHE 8 HD2 PHE 8 -2.814 3.257 -6.403 47 HE1 PHE 8 HE1 PHE 8 -5.839 0.452 -3.649 48 HE2 PHE 8 HE2 PHE 8 -4.719 2.078 -7.464 49 HZ PHE 8 HZ PHE 8 -6.232 0.676 -6.087 50 H SER 9 H SER 9 -4.975 4.263 -3.757 51 HA SER 9 HA SER 9 -5.472 4.873 -0.860 52 1HB SER 9 2HB SER 9 -7.635 5.453 -2.770 53 2HB SER 9 1HB SER 9 -6.999 6.447 -1.463 54 HG SER 9 HG SER 9 -5.784 7.435 -2.860 55 H CYS 10 H CYS 10 -7.039 3.554 0.132 56 HA CYS 10 HA CYS 10 -7.811 1.109 -1.395 57 1HB CYS 10 2HB CYS 10 -7.998 1.669 1.579 58 2HB CYS 10 1HB CYS 10 -7.968 0.095 0.784 59 HA PRO 11 HA PRO 11 -12.036 2.291 -1.341 60 1HB PRO 11 2HB PRO 11 -13.299 -0.107 -1.018 61 2HB PRO 11 1HB PRO 11 -12.482 0.359 -2.522 62 1HG PRO 11 2HG PRO 11 -11.578 -1.468 -0.367 63 2HG PRO 11 1HG PRO 11 -11.306 -1.556 -2.113 64 1HD PRO 11 2HD PRO 11 -9.448 -0.676 -0.272 65 2HD PRO 11 1HD PRO 11 -9.428 -0.277 -2.003 66 H ALA 12 H ALA 12 -12.667 -0.437 0.765 67 HA ALA 12 HA ALA 12 -13.403 1.477 2.952 68 1HB ALA 12 1HB ALA 12 -14.659 -0.901 3.493 69 2HB ALA 12 2HB ALA 12 -14.565 -0.955 1.732 70 3HB ALA 12 3HB ALA 12 -15.374 0.394 2.531 71 H GLY 13 H GLY 13 -12.953 -2.033 3.139 72 1HA GLY 13 2HA GLY 13 -11.170 -1.655 5.452 73 2HA GLY 13 1HA GLY 13 -11.813 -3.196 4.880 74 H SER 14 H SER 14 -10.847 -4.075 2.857 75 HA SER 14 HA SER 14 -8.866 -4.829 1.784 76 1HB SER 14 2HB SER 14 -9.521 -2.100 1.262 77 2HB SER 14 1HB SER 14 -7.764 -2.226 1.312 78 HG SER 14 HG SER 14 -9.148 -2.784 -0.714 79 H THR 15 H THR 15 -6.336 -3.484 1.664 80 HA THR 15 HA THR 15 -5.398 -2.967 4.391 81 HB THR 15 HB THR 15 -4.514 -5.479 2.941 82 HG1 THR 15 HG1 THR 15 -5.835 -5.939 5.212 83 1HG2 THR 15 1HG2 THR 15 -3.719 -5.980 5.346 84 2HG2 THR 15 2HG2 THR 15 -3.945 -4.256 5.639 85 3HG2 THR 15 3HG2 THR 15 -2.797 -4.800 4.416 86 H CYS 16 H CYS 16 -3.633 -1.635 4.213 87 HA CYS 16 HA CYS 16 -2.489 -1.109 1.564 88 1HB CYS 16 2HB CYS 16 -2.436 0.022 4.318 89 2HB CYS 16 1HB CYS 16 -1.048 0.382 3.290 90 H SER 17 H SER 17 -0.725 -2.183 0.785 91 HA SER 17 HA SER 17 0.867 -3.885 2.622 92 1HB SER 17 2HB SER 17 0.961 -3.567 -0.390 93 2HB SER 17 1HB SER 17 1.610 -4.907 0.551 94 HG SER 17 HG SER 17 -0.576 -5.112 -0.474 95 H SER 18 H SER 18 3.167 -3.797 0.790 96 HA SER 18 HA SER 18 4.336 -1.272 0.386 97 1HB SER 18 2HB SER 18 4.064 -0.676 2.648 98 2HB SER 18 1HB SER 18 4.389 -2.313 3.212 99 HG SER 18 HG SER 18 6.159 -0.313 2.339 100 H ALA 19 H ALA 19 4.582 -3.673 -0.897 101 HA ALA 19 HA ALA 19 6.750 -5.345 -0.110 102 1HB ALA 19 1HB ALA 19 5.993 -6.456 -1.920 103 2HB ALA 19 2HB ALA 19 6.402 -5.104 -2.976 104 3HB ALA 19 3HB ALA 19 4.842 -5.140 -2.154 105 H PHE 20 H PHE 20 8.475 -5.475 -2.257 106 HA PHE 20 HA PHE 20 9.705 -2.808 -2.661 107 1HB PHE 20 2HB PHE 20 10.762 -5.042 -0.942 108 2HB PHE 20 1HB PHE 20 11.883 -3.934 -1.735 109 HD1 PHE 20 HD1 PHE 20 11.399 -1.387 -1.451 110 HD2 PHE 20 HD2 PHE 20 9.778 -4.442 1.096 111 HE1 PHE 20 HE1 PHE 20 10.964 0.308 0.305 112 HE2 PHE 20 HE2 PHE 20 9.339 -2.746 2.851 113 HZ PHE 20 HZ PHE 20 9.933 -0.371 2.457 114 H GLY 21 H GLY 21 11.396 -5.899 -2.753 115 1HA GLY 21 2HA GLY 21 10.886 -6.724 -5.392 116 2HA GLY 21 1HA GLY 21 12.188 -5.537 -5.495 117 H PHE 22 H PHE 22 14.063 -5.955 -3.939 118 HA PHE 22 HA PHE 22 14.428 -8.857 -3.355 119 1HB PHE 22 2HB PHE 22 15.952 -9.084 -5.022 120 2HB PHE 22 1HB PHE 22 15.396 -7.527 -5.620 121 HD1 PHE 22 HD1 PHE 22 18.026 -9.291 -3.748 122 HD2 PHE 22 HD2 PHE 22 16.663 -5.471 -5.165 123 HE1 PHE 22 HE1 PHE 22 20.257 -8.318 -3.274 124 HE2 PHE 22 HE2 PHE 22 18.894 -4.500 -4.691 125 HZ PHE 22 HZ PHE 22 20.692 -5.924 -3.746 126 H ARG 23 H ARG 23 15.624 -5.530 -2.996 127 HA ARG 23 HA ARG 23 16.808 -6.319 -0.354 128 1HB ARG 23 2HB ARG 23 18.511 -5.790 -2.017 129 2HB ARG 23 1HB ARG 23 17.683 -4.291 -2.434 130 1HG ARG 23 2HG ARG 23 19.130 -3.365 -0.936 131 2HG ARG 23 1HG ARG 23 17.974 -3.965 0.255 132 1HD ARG 23 2HD ARG 23 19.327 -5.758 0.865 133 2HD ARG 23 1HD ARG 23 20.132 -5.820 -0.716 134 HE ARG 23 HE ARG 23 20.561 -3.438 1.025 135 1HH1 ARG 23 1HH2 ARG 23 21.750 -6.539 0.379 136 2HH1 ARG 23 2HH2 ARG 23 23.393 -6.040 0.145 137 1HH2 ARG 23 2HH1 ARG 23 22.661 -2.651 0.304 138 2HH2 ARG 23 1HH1 ARG 23 23.908 -3.836 0.102 139 H ASN 24 H ASN 24 16.464 -3.074 -1.702 140 HA ASN 24 HA ASN 24 14.007 -2.379 -0.367 141 1HB ASN 24 2HB ASN 24 16.361 -2.655 1.233 142 2HB ASN 24 1HB ASN 24 15.945 -0.942 1.174 143 1HD2 ASN 24 1HD2 ASN 24 14.947 -4.065 2.414 144 2HD2 ASN 24 2HD2 ASN 24 13.577 -3.512 3.252 145 H LEU 25 H LEU 25 14.762 -1.748 -2.889 146 HA LEU 25 HA LEU 25 15.940 0.989 -2.881 147 1HB LEU 25 2HB LEU 25 15.050 -0.777 -5.181 148 2HB LEU 25 1HB LEU 25 16.131 0.612 -5.267 149 HG LEU 25 HG LEU 25 16.738 -1.873 -3.648 150 1HD1 LEU 25 1HD1 LEU 25 16.881 -2.760 -5.777 151 2HD1 LEU 25 2HD1 LEU 25 18.480 -2.023 -5.671 152 3HD1 LEU 25 3HD1 LEU 25 17.179 -1.190 -6.523 153 1HD2 LEU 25 1HD2 LEU 25 18.997 -0.949 -3.590 154 2HD2 LEU 25 2HD2 LEU 25 17.868 0.271 -3.001 155 3HD2 LEU 25 3HD2 LEU 25 18.512 0.383 -4.639 156 H SER 26 H SER 26 13.075 -0.718 -4.185 157 HA SER 26 HA SER 26 11.514 1.820 -3.872 158 1HB SER 26 2HB SER 26 11.106 -0.055 -6.186 159 2HB SER 26 1HB SER 26 10.760 1.668 -6.084 160 HG SER 26 HG SER 26 12.643 1.203 -7.324 161 H LEU 27 H LEU 27 9.613 1.448 -2.784 162 HA LEU 27 HA LEU 27 8.916 -0.999 -1.590 163 1HB LEU 27 2HB LEU 27 7.054 1.224 -2.471 164 2HB LEU 27 1HB LEU 27 6.821 0.125 -1.111 165 HG LEU 27 HG LEU 27 9.391 1.328 -0.823 166 1HD1 LEU 27 1HD1 LEU 27 8.881 3.676 -0.765 167 2HD1 LEU 27 2HD1 LEU 27 7.172 3.373 -1.079 168 3HD1 LEU 27 3HD1 LEU 27 8.366 3.083 -2.345 169 1HD2 LEU 27 1HD2 LEU 27 8.658 1.341 1.315 170 2HD2 LEU 27 2HD2 LEU 27 7.158 0.635 0.714 171 3HD2 LEU 27 3HD2 LEU 27 7.293 2.382 0.907 172 H VAL 28 H VAL 28 7.082 0.473 -4.301 173 HA VAL 28 HA VAL 28 5.919 -0.552 -6.080 174 HB VAL 28 HB VAL 28 8.288 -2.235 -5.443 175 1HG1 VAL 28 1HG1 VAL 28 7.083 -4.156 -5.858 176 2HG1 VAL 28 2HG1 VAL 28 7.403 -3.681 -7.525 177 3HG1 VAL 28 3HG1 VAL 28 5.847 -3.306 -6.786 178 1HG2 VAL 28 1HG2 VAL 28 8.963 -1.575 -7.579 179 2HG2 VAL 28 2HG2 VAL 28 7.974 -0.204 -7.076 180 3HG2 VAL 28 3HG2 VAL 28 7.306 -1.422 -8.163 181 H TRP 29 H TRP 29 3.871 -0.824 -5.096 182 HA TRP 29 HA TRP 29 2.914 -3.490 -4.674 183 1HB TRP 29 2HB TRP 29 2.609 -3.342 -2.194 184 2HB TRP 29 1HB TRP 29 4.305 -3.359 -2.674 185 HD1 TRP 29 HD1 TRP 29 5.640 -1.060 -2.566 186 HE1 TRP 29 HE1 TRP 29 5.256 1.083 -1.179 187 HE3 TRP 29 HE3 TRP 29 0.812 -1.814 -1.079 188 HZ2 TRP 29 HZ2 TRP 29 3.189 2.295 0.372 189 HZ3 TRP 29 HZ3 TRP 29 -0.320 -0.172 0.363 190 HH2 TRP 29 HH2 TRP 29 0.849 1.887 1.089 191 H GLY 30 H GLY 30 0.859 -2.952 -2.797 192 1HA GLY 30 2HA GLY 30 -0.480 -0.456 -3.266 193 2HA GLY 30 1HA GLY 30 -1.109 -1.684 -4.364 194 H CYS 31 H CYS 31 -2.989 -0.844 -2.741 195 HA CYS 31 HA CYS 31 -3.083 -2.101 -0.126 196 1HB CYS 31 2HB CYS 31 -4.380 -0.089 -1.372 197 2HB CYS 31 1HB CYS 31 -5.553 -1.380 -1.632 198 H SER 32 H SER 32 -3.842 -4.143 0.389 199 HA SER 32 HA SER 32 -4.574 -5.947 -1.858 200 1HB SER 32 2HB SER 32 -3.680 -7.585 -0.507 201 2HB SER 32 1HB SER 32 -2.883 -6.202 0.239 202 HG SER 32 HG SER 32 -4.185 -7.787 1.585 203 HA PRO 33 HA PRO 33 -8.825 -5.441 -0.648 204 1HB PRO 33 2HB PRO 33 -9.862 -7.300 -2.369 205 2HB PRO 33 1HB PRO 33 -9.351 -5.680 -2.885 206 1HG PRO 33 2HG PRO 33 -7.937 -8.284 -3.145 207 2HG PRO 33 1HG PRO 33 -8.017 -6.924 -4.275 208 1HD PRO 33 2HD PRO 33 -5.871 -7.428 -2.662 209 2HD PRO 33 1HD PRO 33 -6.299 -5.809 -3.260 210 H VAL 34 H VAL 34 -7.618 -6.737 1.327 211 HA VAL 34 HA VAL 34 -7.594 -8.650 2.764 212 HB VAL 34 HB VAL 34 -9.578 -7.205 3.213 213 1HG1 VAL 34 1HG1 VAL 34 -10.984 -7.261 1.375 214 2HG1 VAL 34 2HG1 VAL 34 -11.786 -8.452 2.401 215 3HG1 VAL 34 3HG1 VAL 34 -10.723 -8.983 1.097 216 1HG2 VAL 34 1HG2 VAL 34 -10.943 -9.595 3.862 217 2HG2 VAL 34 2HG2 VAL 34 -9.853 -8.673 4.899 218 3HG2 VAL 34 3HG2 VAL 34 -9.223 -9.989 3.904 219 H GLU 35 HN GLU 35 -6.911 -9.737 0.338 220 HA GLU 35 HA GLU 35 -8.349 -12.332 0.413 221 1HB GLU 35 2HB GLU 35 -9.400 -10.649 -1.240 222 2HB GLU 35 1HB GLU 35 -7.930 -10.853 -2.191 223 1HG GLU 35 2HG GLU 35 -9.190 -12.536 -3.131 224 2HG GLU 35 1HG GLU 35 -8.493 -13.440 -1.786 Start of MODEL 10 1 1H ASP 1 1H ASP 1 -13.747 4.917 -0.566 2 2H ASP 1 2H ASP 1 -13.667 5.780 0.895 3 3H ASP 1 3H ASP 1 -13.003 4.220 0.789 4 HA ASP 1 HA ASP 1 -11.447 5.139 -0.968 5 1HB ASP 1 2HB ASP 1 -12.468 7.710 0.277 6 2HB ASP 1 1HB ASP 1 -11.324 7.560 -1.057 7 H HIS 2 H HIS 2 -9.432 4.908 -0.058 8 HA HIS 2 HA HIS 2 -8.886 6.020 2.642 9 1HB HIS 2 2HB HIS 2 -9.643 3.320 2.103 10 2HB HIS 2 1HB HIS 2 -7.939 3.315 2.559 11 HD1 HIS 2 HD1 HIS 2 -7.959 2.671 4.983 12 HD2 HIS 2 HD2 HIS 2 -10.798 5.603 4.130 13 HE1 HIS 2 HE1 HIS 2 -8.947 3.380 7.205 14 H VAL 3 H VAL 3 -6.448 5.301 3.189 15 HA VAL 3 HA VAL 3 -4.792 5.189 0.714 16 HB VAL 3 HB VAL 3 -3.657 7.222 1.266 17 1HG1 VAL 3 1HG1 VAL 3 -6.515 7.835 2.025 18 2HG1 VAL 3 2HG1 VAL 3 -6.079 7.357 0.384 19 3HG1 VAL 3 3HG1 VAL 3 -5.394 8.823 1.087 20 1HG2 VAL 3 1HG2 VAL 3 -4.710 8.358 3.498 21 2HG2 VAL 3 2HG2 VAL 3 -3.251 7.368 3.517 22 3HG2 VAL 3 3HG2 VAL 3 -4.807 6.656 3.945 23 H CYS 4 H CYS 4 -2.844 4.097 1.049 24 HA CYS 4 HA CYS 4 -2.420 3.004 3.799 25 1HB CYS 4 2HB CYS 4 -2.744 1.539 1.752 26 2HB CYS 4 1HB CYS 4 -1.200 2.150 1.159 27 H ASP 5 H ASP 5 -0.547 4.464 1.093 28 HA ASP 5 HA ASP 5 1.337 5.578 3.121 29 1HB ASP 5 2HB ASP 5 1.987 3.760 0.794 30 2HB ASP 5 1HB ASP 5 3.208 4.765 1.572 31 H ASP 6 H ASP 6 -0.628 6.996 1.593 32 HA ASP 6 HA ASP 6 -0.714 9.008 0.338 33 1HB ASP 6 2HB ASP 6 1.905 8.714 1.396 34 2HB ASP 6 1HB ASP 6 2.091 9.255 -0.272 35 H ASN 7 H ASN 7 2.001 7.085 -1.001 36 HA ASN 7 HA ASN 7 1.533 7.735 -3.729 37 1HB ASN 7 2HB ASN 7 3.515 6.619 -2.457 38 2HB ASN 7 1HB ASN 7 2.653 5.109 -2.757 39 1HD2 ASN 7 1HD2 ASN 7 3.678 4.129 -4.515 40 2HD2 ASN 7 2HD2 ASN 7 4.093 4.921 -5.959 41 H PHE 8 H PHE 8 -0.332 5.764 -1.643 42 HA PHE 8 HA PHE 8 -1.682 4.510 -4.016 43 1HB PHE 8 2HB PHE 8 -0.198 3.145 -2.275 44 2HB PHE 8 1HB PHE 8 -1.673 3.226 -1.310 45 HD1 PHE 8 HD1 PHE 8 -3.071 1.380 -1.520 46 HD2 PHE 8 HD2 PHE 8 -0.806 2.686 -4.928 47 HE1 PHE 8 HE1 PHE 8 -4.057 -0.448 -2.875 48 HE2 PHE 8 HE2 PHE 8 -1.792 0.857 -6.284 49 HZ PHE 8 HZ PHE 8 -3.416 -0.710 -5.258 50 H SER 9 H SER 9 -3.937 3.551 -2.948 51 HA SER 9 HA SER 9 -5.136 5.471 -1.057 52 1HB SER 9 2HB SER 9 -6.920 5.963 -2.859 53 2HB SER 9 1HB SER 9 -5.355 6.752 -3.029 54 HG SER 9 HG SER 9 -5.461 5.853 -4.944 55 H CYS 10 H CYS 10 -7.020 3.813 -3.499 56 HA CYS 10 HA CYS 10 -8.472 1.953 -3.347 57 1HB CYS 10 2HB CYS 10 -6.069 1.393 -1.824 58 2HB CYS 10 1HB CYS 10 -7.462 0.598 -1.090 59 HA PRO 11 HA PRO 11 -11.392 3.127 -0.283 60 1HB PRO 11 2HB PRO 11 -12.932 0.869 -0.138 61 2HB PRO 11 1HB PRO 11 -12.973 1.980 -1.522 62 1HG PRO 11 2HG PRO 11 -11.601 -0.641 -1.241 63 2HG PRO 11 1HG PRO 11 -12.414 0.064 -2.645 64 1HD PRO 11 2HD PRO 11 -9.696 0.011 -2.320 65 2HD PRO 11 1HD PRO 11 -10.556 1.213 -3.306 66 H ALA 12 H ALA 12 -12.484 2.073 1.821 67 HA ALA 12 HA ALA 12 -10.293 1.353 3.614 68 1HB ALA 12 1HB ALA 12 -12.776 1.038 4.896 69 2HB ALA 12 2HB ALA 12 -13.038 2.307 3.700 70 3HB ALA 12 3HB ALA 12 -11.765 2.483 4.908 71 H GLY 13 H GLY 13 -12.897 -0.353 1.961 72 1HA GLY 13 2HA GLY 13 -13.081 -2.710 3.467 73 2HA GLY 13 1HA GLY 13 -13.249 -2.665 1.710 74 H SER 14 H SER 14 -10.864 -2.157 0.704 75 HA SER 14 HA SER 14 -9.250 -4.513 1.457 76 1HB SER 14 2HB SER 14 -9.409 -2.500 -0.762 77 2HB SER 14 1HB SER 14 -7.922 -3.426 -0.573 78 HG SER 14 HG SER 14 -9.129 -4.727 -1.799 79 H THR 15 H THR 15 -6.723 -3.981 1.285 80 HA THR 15 HA THR 15 -6.146 -1.564 2.965 81 HB THR 15 HB THR 15 -4.920 -4.340 3.116 82 HG1 THR 15 HG1 THR 15 -6.915 -3.026 4.625 83 1HG2 THR 15 1HG2 THR 15 -3.340 -2.724 3.894 84 2HG2 THR 15 2HG2 THR 15 -4.091 -3.407 5.335 85 3HG2 THR 15 3HG2 THR 15 -4.589 -1.818 4.751 86 H CYS 16 H CYS 16 -3.474 -3.579 2.238 87 HA CYS 16 HA CYS 16 -2.869 -2.550 -0.402 88 1HB CYS 16 2HB CYS 16 -0.796 -1.278 0.675 89 2HB CYS 16 1HB CYS 16 -2.350 -0.476 0.479 90 H SER 17 H SER 17 -1.559 -4.049 -1.304 91 HA SER 17 HA SER 17 -0.568 -6.364 -0.193 92 1HB SER 17 2HB SER 17 -0.283 -4.874 -2.563 93 2HB SER 17 1HB SER 17 1.364 -5.203 -2.032 94 HG SER 17 HG SER 17 -0.743 -7.047 -2.495 95 H SER 18 H SER 18 1.673 -3.642 -0.803 96 HA SER 18 HA SER 18 2.641 -3.367 1.837 97 1HB SER 18 2HB SER 18 3.325 -5.620 1.835 98 2HB SER 18 1HB SER 18 3.842 -5.553 0.152 99 HG SER 18 HG SER 18 5.657 -5.472 1.443 100 H ALA 19 H ALA 19 5.398 -3.854 -0.075 101 HA ALA 19 HA ALA 19 5.337 -1.332 -1.552 102 1HB ALA 19 1HB ALA 19 7.221 -1.461 0.794 103 2HB ALA 19 2HB ALA 19 5.568 -0.889 1.012 104 3HB ALA 19 3HB ALA 19 6.655 -0.043 -0.088 105 H PHE 20 H PHE 20 7.636 -3.500 0.129 106 HA PHE 20 HA PHE 20 8.887 -4.123 -2.492 107 1HB PHE 20 2HB PHE 20 11.104 -3.736 -0.932 108 2HB PHE 20 1HB PHE 20 10.450 -2.523 -2.026 109 HD1 PHE 20 HD1 PHE 20 9.794 -3.810 1.451 110 HD2 PHE 20 HD2 PHE 20 10.108 -0.414 -1.157 111 HE1 PHE 20 HE1 PHE 20 9.352 -2.297 3.368 112 HE2 PHE 20 HE2 PHE 20 9.669 1.099 0.757 113 HZ PHE 20 HZ PHE 20 9.290 0.158 3.020 114 H GLY 21 H GLY 21 11.097 -5.532 -1.452 115 1HA GLY 21 2HA GLY 21 9.753 -7.924 -0.433 116 2HA GLY 21 1HA GLY 21 11.469 -7.789 -0.825 117 H PHE 22 H PHE 22 12.918 -7.196 0.804 118 HA PHE 22 HA PHE 22 11.750 -6.660 3.510 119 1HB PHE 22 2HB PHE 22 13.171 -8.342 4.444 120 2HB PHE 22 1HB PHE 22 12.457 -9.076 3.009 121 HD1 PHE 22 HD1 PHE 22 13.821 -8.817 0.778 122 HD2 PHE 22 HD2 PHE 22 15.495 -8.341 4.705 123 HE1 PHE 22 HE1 PHE 22 16.087 -9.226 -0.139 124 HE2 PHE 22 HE2 PHE 22 17.763 -8.750 3.788 125 HZ PHE 22 HZ PHE 22 18.059 -9.191 1.365 126 H ARG 23 H ARG 23 13.433 -5.289 1.162 127 HA ARG 23 HA ARG 23 15.411 -4.005 3.020 128 1HB ARG 23 2HB ARG 23 16.806 -3.758 0.942 129 2HB ARG 23 1HB ARG 23 16.501 -5.441 1.374 130 1HG ARG 23 2HG ARG 23 14.347 -4.501 -0.279 131 2HG ARG 23 1HG ARG 23 15.878 -4.138 -1.075 132 1HD ARG 23 2HD ARG 23 15.564 -6.851 0.156 133 2HD ARG 23 1HD ARG 23 14.735 -6.526 -1.378 134 HE ARG 23 HE ARG 23 17.397 -5.503 -1.542 135 1HH1 ARG 23 2HH1 ARG 23 15.402 -8.252 -1.949 136 2HH1 ARG 23 1HH1 ARG 23 16.664 -9.256 -2.584 137 1HH2 ARG 23 1HH2 ARG 23 19.148 -6.878 -2.119 138 2HH2 ARG 23 2HH2 ARG 23 18.787 -8.479 -2.675 139 H ASN 24 H ASN 24 15.656 -2.471 0.122 140 HA ASN 24 HA ASN 24 13.292 -0.705 0.473 141 1HB ASN 24 2HB ASN 24 16.202 -0.025 0.877 142 2HB ASN 24 1HB ASN 24 15.058 1.222 0.377 143 1HD2 ASN 24 1HD2 ASN 24 16.226 -0.573 3.094 144 2HD2 ASN 24 2HD2 ASN 24 15.091 -0.011 4.225 145 H LEU 25 H LEU 25 14.272 -2.592 -1.635 146 HA LEU 25 HA LEU 25 15.536 -1.558 -3.855 147 1HB LEU 25 2HB LEU 25 13.692 -3.606 -3.234 148 2HB LEU 25 1HB LEU 25 13.008 -2.759 -4.621 149 HG LEU 25 HG LEU 25 14.474 -4.536 -5.417 150 1HD1 LEU 25 1HD1 LEU 25 14.702 -1.813 -6.086 151 2HD1 LEU 25 2HD1 LEU 25 15.200 -3.187 -7.072 152 3HD1 LEU 25 3HD1 LEU 25 16.359 -2.407 -5.996 153 1HD2 LEU 25 1HD2 LEU 25 16.599 -3.153 -3.749 154 2HD2 LEU 25 2HD2 LEU 25 16.886 -4.505 -4.844 155 3HD2 LEU 25 3HD2 LEU 25 15.887 -4.729 -3.408 156 H SER 26 H SER 26 12.098 -1.004 -3.032 157 HA SER 26 HA SER 26 11.970 1.720 -3.744 158 1HB SER 26 2HB SER 26 12.290 -0.096 -5.967 159 2HB SER 26 1HB SER 26 10.728 0.709 -6.087 160 HG SER 26 HG SER 26 11.706 2.559 -6.403 161 H LEU 27 H LEU 27 9.633 2.406 -4.162 162 HA LEU 27 HA LEU 27 7.847 0.849 -2.453 163 1HB LEU 27 2HB LEU 27 7.539 3.352 -4.147 164 2HB LEU 27 1HB LEU 27 6.295 2.754 -3.048 165 HG LEU 27 HG LEU 27 9.082 3.695 -2.334 166 1HD1 LEU 27 1HD1 LEU 27 7.258 4.913 -0.676 167 2HD1 LEU 27 2HD1 LEU 27 6.350 4.783 -2.183 168 3HD1 LEU 27 3HD1 LEU 27 7.900 5.625 -2.157 169 1HD2 LEU 27 1HD2 LEU 27 7.238 1.839 -0.962 170 2HD2 LEU 27 2HD2 LEU 27 7.823 3.167 0.043 171 3HD2 LEU 27 3HD2 LEU 27 8.971 2.075 -0.734 172 H VAL 28 H VAL 28 7.852 -1.128 -3.867 173 HA VAL 28 HA VAL 28 6.059 -0.843 -6.252 174 HB VAL 28 HB VAL 28 8.338 -2.636 -5.450 175 1HG1 VAL 28 1HG1 VAL 28 7.513 -3.891 -7.680 176 2HG1 VAL 28 2HG1 VAL 28 5.940 -3.399 -7.055 177 3HG1 VAL 28 3HG1 VAL 28 7.001 -4.408 -6.072 178 1HG2 VAL 28 1HG2 VAL 28 9.253 -1.220 -6.966 179 2HG2 VAL 28 2HG2 VAL 28 7.673 -0.671 -7.526 180 3HG2 VAL 28 3HG2 VAL 28 8.377 -2.150 -8.181 181 H TRP 29 H TRP 29 4.025 -1.049 -5.218 182 HA TRP 29 HA TRP 29 3.361 -3.742 -4.213 183 1HB TRP 29 2HB TRP 29 2.486 -2.717 -2.079 184 2HB TRP 29 1HB TRP 29 4.234 -2.677 -2.238 185 HD1 TRP 29 HD1 TRP 29 4.972 -0.196 -3.693 186 HE1 TRP 29 HE1 TRP 29 4.285 2.169 -2.945 187 HE3 TRP 29 HE3 TRP 29 0.960 -1.331 -0.739 188 HZ2 TRP 29 HZ2 TRP 29 2.306 3.420 -1.302 189 HZ3 TRP 29 HZ3 TRP 29 -0.295 0.471 0.410 190 HH2 TRP 29 HH2 TRP 29 0.368 2.837 0.131 191 H GLY 30 H GLY 30 0.879 -2.877 -2.969 192 1HA GLY 30 2HA GLY 30 -0.614 -1.128 -4.679 193 2HA GLY 30 1HA GLY 30 -0.817 -2.785 -5.245 194 H CYS 31 H CYS 31 -3.057 -2.741 -4.674 195 HA CYS 31 HA CYS 31 -3.871 -2.248 -1.897 196 1HB CYS 31 2HB CYS 31 -5.044 -1.952 -4.298 197 2HB CYS 31 1HB CYS 31 -5.645 -3.560 -3.893 198 H SER 32 H SER 32 -5.446 -4.004 -0.979 199 HA SER 32 HA SER 32 -4.896 -6.800 -1.569 200 1HB SER 32 2HB SER 32 -3.570 -7.246 0.442 201 2HB SER 32 1HB SER 32 -2.772 -5.996 -0.509 202 HG SER 32 HG SER 32 -3.409 -5.822 1.974 203 HA PRO 33 HA PRO 33 -8.721 -6.881 0.637 204 1HB PRO 33 2HB PRO 33 -8.914 -9.583 1.040 205 2HB PRO 33 1HB PRO 33 -9.204 -8.819 -0.537 206 1HG PRO 33 2HG PRO 33 -6.778 -10.229 0.466 207 2HG PRO 33 1HG PRO 33 -7.533 -10.283 -1.136 208 1HD PRO 33 2HD PRO 33 -5.317 -8.806 -0.589 209 2HD PRO 33 1HD PRO 33 -6.505 -8.349 -1.830 210 H VAL 34 H VAL 34 -9.020 -6.418 2.781 211 HA VAL 34 HA VAL 34 -7.019 -6.967 4.791 212 HB VAL 34 HB VAL 34 -8.621 -5.041 4.710 213 1HG1 VAL 34 1HG1 VAL 34 -10.607 -7.240 5.339 214 2HG1 VAL 34 2HG1 VAL 34 -10.620 -6.152 3.951 215 3HG1 VAL 34 3HG1 VAL 34 -10.950 -5.524 5.565 216 1HG2 VAL 34 1HG2 VAL 34 -9.227 -5.126 7.141 217 2HG2 VAL 34 2HG2 VAL 34 -7.550 -5.576 6.834 218 3HG2 VAL 34 3HG2 VAL 34 -8.752 -6.823 7.163 219 H GLU 35 HN GLU 35 -9.493 -8.865 3.424 220 HA GLU 35 HA GLU 35 -10.633 -10.818 4.158 221 1HB GLU 35 2HB GLU 35 -9.004 -12.511 4.491 222 2HB GLU 35 1HB GLU 35 -8.160 -11.271 3.566 223 1HG GLU 35 2HG GLU 35 -7.070 -10.425 5.538 224 2HG GLU 35 1HG GLU 35 -8.074 -11.424 6.591
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