NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
504921 | 2enh | 10175 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -11.127 -30.022 -5.626 2 HA2 GLY 1 1HA GLY 1 -12.342 -27.420 -5.950 3 HA3 GLY 1 2HA GLY 1 -12.307 -28.382 -4.480 4 H SER 2 H SER 2 -11.897 -26.204 -3.545 5 HA SER 2 HA SER 2 -9.279 -25.065 -3.990 6 HB2 SER 2 1HB SER 2 -9.964 -23.459 -2.206 7 HB3 SER 2 2HB SER 2 -11.117 -23.549 -3.538 8 HG SER 2 HG SER 2 -11.336 -24.851 -1.024 9 H SER 3 H SER 3 -7.824 -26.654 -3.357 10 HA SER 3 HA SER 3 -7.740 -27.172 -0.457 11 HB2 SER 3 1HB SER 3 -7.338 -29.035 -2.764 12 HB3 SER 3 2HB SER 3 -6.428 -29.309 -1.278 13 HG SER 3 HG SER 3 -8.219 -30.350 -0.795 14 H GLY 4 H GLY 4 -5.762 -27.076 -3.419 15 HA2 GLY 4 1HA GLY 4 -3.438 -26.346 -1.770 16 HA3 GLY 4 2HA GLY 4 -3.369 -26.963 -3.414 17 H SER 5 H SER 5 -3.083 -24.245 -1.535 18 HA SER 5 HA SER 5 -3.248 -22.529 -3.904 19 HB2 SER 5 1HB SER 5 -4.290 -20.728 -2.516 20 HB3 SER 5 2HB SER 5 -5.340 -22.125 -2.756 21 HG SER 5 HG SER 5 -3.788 -21.534 -0.453 22 H SER 6 H SER 6 -1.689 -20.980 -4.030 23 HA SER 6 HA SER 6 0.449 -21.150 -2.054 24 HB2 SER 6 1HB SER 6 1.830 -20.025 -3.702 25 HB3 SER 6 2HB SER 6 0.963 -21.345 -4.487 26 HG SER 6 HG SER 6 -0.222 -19.943 -5.584 27 H GLY 7 H GLY 7 -1.822 -19.871 -1.096 28 HA2 GLY 7 1HA GLY 7 -2.639 -17.849 -0.302 29 HA3 GLY 7 2HA GLY 7 -0.967 -17.688 0.213 30 H THR 8 H THR 8 -2.430 -17.566 -3.024 31 HA THR 8 HA THR 8 -0.899 -15.733 -4.234 32 HB THR 8 HB THR 8 -2.861 -14.954 -5.524 33 HG1 THR 8 HG1 THR 8 -4.866 -15.327 -4.835 34 HG21 THR 8 3HG2 THR 8 -2.601 -16.838 -6.681 35 HG22 THR 8 1HG2 THR 8 -3.656 -17.685 -5.551 36 HG23 THR 8 2HG2 THR 8 -1.918 -17.621 -5.257 37 H GLY 9 H GLY 9 -3.527 -14.945 -1.981 38 HA2 GLY 9 1HA GLY 9 -2.203 -12.532 -1.172 39 HA3 GLY 9 2HA GLY 9 -3.616 -12.214 -2.168 40 H GLU 10 H GLU 10 -2.876 -11.850 0.790 41 HA GLU 10 HA GLU 10 -5.228 -13.215 1.922 42 HB2 GLU 10 1HB GLU 10 -4.158 -12.896 4.124 43 HB3 GLU 10 2HB GLU 10 -3.170 -13.858 3.034 44 HG2 GLU 10 1HG GLU 10 -1.863 -11.802 2.515 45 HG3 GLU 10 2HG GLU 10 -2.777 -10.970 3.771 46 H LYS 11 H LYS 11 -3.980 -10.222 0.982 47 HA LYS 11 HA LYS 11 -6.260 -8.857 2.181 48 HB2 LYS 11 1HB LYS 11 -3.382 -8.130 2.674 49 HB3 LYS 11 2HB LYS 11 -4.659 -6.926 2.777 50 HG2 LYS 11 1HG LYS 11 -4.655 -9.479 4.366 51 HG3 LYS 11 2HG LYS 11 -3.981 -7.957 4.952 52 HD2 LYS 11 1HD LYS 11 -6.214 -6.907 4.559 53 HD3 LYS 11 2HD LYS 11 -6.844 -8.512 4.181 54 HE2 LYS 11 1HE LYS 11 -6.118 -9.267 6.431 55 HE3 LYS 11 2HE LYS 11 -5.634 -7.611 6.793 56 HZ1 LYS 11 3HZ LYS 11 -7.706 -7.391 7.549 57 HZ2 LYS 11 1HZ LYS 11 -8.255 -8.791 6.775 58 HZ3 LYS 11 2HZ LYS 11 -8.182 -7.330 5.927 59 HA PRO 12 HA PRO 12 -6.421 -6.893 -1.748 60 HB2 PRO 12 1HB PRO 12 -7.761 -4.626 -1.088 61 HB3 PRO 12 2HB PRO 12 -8.537 -6.212 -1.167 62 HG2 PRO 12 1HG PRO 12 -7.539 -4.709 1.222 63 HG3 PRO 12 2HG PRO 12 -9.047 -5.620 1.024 64 HD2 PRO 12 1HD PRO 12 -6.892 -6.632 2.315 65 HD3 PRO 12 2HD PRO 12 -8.017 -7.649 1.391 66 H TYR 13 H TYR 13 -4.740 -5.556 0.902 67 HA TYR 13 HA TYR 13 -3.260 -3.794 -0.918 68 HB2 TYR 13 1HB TYR 13 -3.988 -2.969 1.893 69 HB3 TYR 13 2HB TYR 13 -3.231 -1.985 0.646 70 HD1 TYR 13 HD2 TYR 13 -4.583 -1.293 -1.352 71 HD2 TYR 13 HD1 TYR 13 -6.344 -3.150 2.047 72 HE1 TYR 13 HE2 TYR 13 -6.794 -0.485 -2.063 73 HE2 TYR 13 HE1 TYR 13 -8.560 -2.349 1.344 74 HH TYR 13 HH TYR 13 -9.705 -1.168 -0.144 75 H GLU 14 H GLU 14 -1.196 -4.354 -0.909 76 HA GLU 14 HA GLU 14 0.075 -5.119 1.615 77 HB2 GLU 14 1HB GLU 14 -0.564 -7.214 0.489 78 HB3 GLU 14 2HB GLU 14 0.323 -6.711 -0.944 79 HG2 GLU 14 1HG GLU 14 2.393 -6.948 0.109 80 HG3 GLU 14 2HG GLU 14 1.672 -6.970 1.717 81 H CYS 15 H CYS 15 1.977 -4.147 1.895 82 HA CYS 15 HA CYS 15 2.964 -2.273 0.031 83 HB2 CYS 15 1HB CYS 15 3.262 -2.352 2.598 84 HB3 CYS 15 2HB CYS 15 4.621 -3.420 2.265 85 H ASP 16 H ASP 16 4.351 -2.463 -1.607 86 HA ASP 16 HA ASP 16 5.417 -5.079 -2.247 87 HB2 ASP 16 1HB ASP 16 5.319 -2.445 -3.704 88 HB3 ASP 16 2HB ASP 16 6.274 -3.796 -4.308 89 H VAL 17 H VAL 17 6.468 -3.422 0.029 90 HA VAL 17 HA VAL 17 9.297 -3.441 -0.795 91 HB VAL 17 HB VAL 17 7.994 -1.521 1.142 92 HG11 VAL 17 1HG1 VAL 17 10.783 -2.305 0.692 93 HG12 VAL 17 2HG1 VAL 17 10.498 -0.564 0.674 94 HG13 VAL 17 3HG1 VAL 17 10.033 -1.521 2.082 95 HG21 VAL 17 3HG2 VAL 17 8.175 0.133 -0.452 96 HG22 VAL 17 1HG2 VAL 17 9.442 -0.713 -1.340 97 HG23 VAL 17 2HG2 VAL 17 7.770 -1.263 -1.451 98 H CYS 18 H CYS 18 7.191 -3.467 2.085 99 HA CYS 18 HA CYS 18 9.092 -5.325 3.351 100 HB2 CYS 18 1HB CYS 18 8.039 -4.599 5.502 101 HB3 CYS 18 2HB CYS 18 8.868 -3.306 4.641 102 H ARG 19 H ARG 19 6.256 -5.321 1.721 103 HA ARG 19 HA ARG 19 4.544 -6.798 1.482 104 HB2 ARG 19 1HB ARG 19 6.498 -8.476 3.044 105 HB3 ARG 19 2HB ARG 19 4.940 -9.107 2.530 106 HG2 ARG 19 1HG ARG 19 6.474 -9.800 0.898 107 HG3 ARG 19 2HG ARG 19 5.602 -8.445 0.178 108 HD2 ARG 19 1HD ARG 19 7.936 -8.191 -0.306 109 HD3 ARG 19 2HD ARG 19 7.470 -6.956 0.863 110 HE ARG 19 HE ARG 19 8.844 -7.944 2.420 111 HH11 ARG 19 1HH1 ARG 19 8.466 -10.054 -0.323 112 HH12 ARG 19 2HH1 ARG 19 9.711 -11.148 0.182 113 HH21 ARG 19 1HH2 ARG 19 10.485 -9.377 3.095 114 HH22 ARG 19 2HH2 ARG 19 10.859 -10.762 2.127 115 H LYS 20 H LYS 20 4.078 -4.887 3.345 116 HA LYS 20 HA LYS 20 3.150 -6.106 5.804 117 HB2 LYS 20 1HB LYS 20 3.398 -3.337 4.746 118 HB3 LYS 20 2HB LYS 20 2.174 -3.623 5.976 119 HG2 LYS 20 1HG LYS 20 4.915 -4.649 6.471 120 HG3 LYS 20 2HG LYS 20 4.634 -2.911 6.598 121 HD2 LYS 20 1HD LYS 20 4.175 -3.546 8.749 122 HD3 LYS 20 2HD LYS 20 2.567 -3.701 8.038 123 HE2 LYS 20 1HE LYS 20 2.758 -6.045 7.871 124 HE3 LYS 20 2HE LYS 20 4.498 -6.002 8.154 125 HZ1 LYS 20 3HZ LYS 20 3.609 -6.695 10.168 126 HZ2 LYS 20 1HZ LYS 20 2.308 -5.616 10.096 127 HZ3 LYS 20 2HZ LYS 20 3.866 -5.041 10.417 128 H ALA 21 H ALA 21 0.876 -5.498 6.548 129 HA ALA 21 HA ALA 21 -1.037 -5.696 4.319 130 HB1 ALA 21 3HB ALA 21 -1.196 -7.864 4.987 131 HB2 ALA 21 1HB ALA 21 -0.696 -7.509 6.641 132 HB3 ALA 21 2HB ALA 21 -2.342 -7.149 6.120 133 H PHE 22 H PHE 22 -2.649 -4.270 4.415 134 HA PHE 22 HA PHE 22 -3.232 -2.991 7.004 135 HB2 PHE 22 1HB PHE 22 -3.204 -1.672 4.280 136 HB3 PHE 22 2HB PHE 22 -3.670 -0.892 5.788 137 HD1 PHE 22 HD2 PHE 22 -2.005 -0.302 7.451 138 HD2 PHE 22 HD1 PHE 22 -0.897 -2.130 3.770 139 HE1 PHE 22 HE2 PHE 22 0.338 0.339 7.842 140 HE2 PHE 22 HE1 PHE 22 1.448 -1.492 4.156 141 HZ PHE 22 HZ PHE 22 2.068 -0.255 6.193 142 H SER 23 H SER 23 -5.413 -2.002 7.108 143 HA SER 23 HA SER 23 -7.358 -3.843 5.972 144 HB2 SER 23 1HB SER 23 -8.951 -2.644 7.515 145 HB3 SER 23 2HB SER 23 -7.596 -3.429 8.326 146 HG SER 23 HG SER 23 -7.875 -0.672 7.716 147 H HIS 24 H HIS 24 -6.742 -0.349 6.073 148 HA HIS 24 HA HIS 24 -8.775 0.062 4.005 149 HB2 HIS 24 1HB HIS 24 -8.892 1.548 5.938 150 HB3 HIS 24 2HB HIS 24 -7.225 2.053 5.676 151 HD1 HIS 24 HD1 HIS 24 -10.113 1.845 3.205 152 HD2 HIS 24 HD2 HIS 24 -7.432 4.598 4.786 153 HE1 HIS 24 HE1 HIS 24 -10.545 3.991 1.968 154 H HIS 25 H HIS 25 -8.286 1.339 2.123 155 HA HIS 25 HA HIS 25 -5.915 0.533 0.822 156 HB2 HIS 25 1HB HIS 25 -7.988 1.028 -0.396 157 HB3 HIS 25 2HB HIS 25 -7.864 2.722 0.068 158 HD1 HIS 25 HD1 HIS 25 -7.774 3.401 -2.442 159 HD2 HIS 25 HD2 HIS 25 -4.624 0.996 -1.192 160 HE1 HIS 25 HE1 HIS 25 -6.053 3.542 -4.271 161 H ALA 26 H ALA 26 -6.960 3.772 1.893 162 HA ALA 26 HA ALA 26 -4.739 5.235 1.240 163 HB1 ALA 26 3HB ALA 26 -7.018 5.753 2.610 164 HB2 ALA 26 1HB ALA 26 -5.817 5.871 3.897 165 HB3 ALA 26 2HB ALA 26 -5.670 6.879 2.457 166 H SER 27 H SER 27 -5.256 3.416 4.255 167 HA SER 27 HA SER 27 -3.029 4.018 5.682 168 HB2 SER 27 1HB SER 27 -4.450 1.389 5.318 169 HB3 SER 27 2HB SER 27 -3.070 1.537 6.405 170 HG SER 27 HG SER 27 -4.206 2.842 7.703 171 H LEU 28 H LEU 28 -3.180 2.148 2.748 172 HA LEU 28 HA LEU 28 -0.494 1.136 2.959 173 HB2 LEU 28 1HB LEU 28 -2.207 -0.107 1.755 174 HB3 LEU 28 2HB LEU 28 -2.400 1.230 0.624 175 HG LEU 28 HG LEU 28 0.001 0.845 -0.055 176 HD11 LEU 28 1HD1 LEU 28 -0.253 -1.146 2.042 177 HD12 LEU 28 2HD1 LEU 28 1.190 -0.493 1.268 178 HD13 LEU 28 3HD1 LEU 28 0.319 -1.832 0.521 179 HD21 LEU 28 3HD2 LEU 28 -1.200 -1.685 -0.772 180 HD22 LEU 28 1HD2 LEU 28 -0.850 -0.277 -1.776 181 HD23 LEU 28 2HD2 LEU 28 -2.364 -0.363 -0.876 182 H THR 29 H THR 29 -2.100 3.487 0.811 183 HA THR 29 HA THR 29 0.199 4.379 -0.499 184 HB THR 29 HB THR 29 -2.272 4.869 -1.052 185 HG1 THR 29 HG1 THR 29 -0.151 6.741 -1.278 186 HG21 THR 29 3HG2 THR 29 -3.418 6.365 0.148 187 HG22 THR 29 1HG2 THR 29 -2.087 7.521 0.104 188 HG23 THR 29 2HG2 THR 29 -2.127 6.268 1.345 189 H GLN 30 H GLN 30 -0.957 5.021 2.680 190 HA GLN 30 HA GLN 30 0.606 7.435 3.019 191 HB2 GLN 30 1HB GLN 30 -1.640 6.889 4.156 192 HB3 GLN 30 2HB GLN 30 -0.695 5.867 5.231 193 HG2 GLN 30 1HG GLN 30 -0.962 7.930 6.332 194 HG3 GLN 30 2HG GLN 30 0.702 7.888 5.751 195 HE21 GLN 30 1HE2 GLN 30 1.256 9.145 3.916 196 HE22 GLN 30 2HE2 GLN 30 0.325 10.535 3.483 197 H HIS 31 H HIS 31 0.680 4.094 4.219 198 HA HIS 31 HA HIS 31 2.937 4.312 5.844 199 HB2 HIS 31 1HB HIS 31 1.790 2.321 6.142 200 HB3 HIS 31 2HB HIS 31 1.608 2.046 4.412 201 HD1 HIS 31 HD1 HIS 31 3.882 1.403 7.272 202 HD2 HIS 31 HD2 HIS 31 3.852 0.854 3.153 203 HE1 HIS 31 HE1 HIS 31 5.780 -0.175 6.790 204 H GLN 32 H GLN 32 2.684 3.463 2.407 205 HA GLN 32 HA GLN 32 5.155 2.727 1.695 206 HB2 GLN 32 1HB GLN 32 3.358 4.726 0.336 207 HB3 GLN 32 2HB GLN 32 4.855 4.167 -0.398 208 HG2 GLN 32 1HG GLN 32 3.892 1.804 -0.001 209 HG3 GLN 32 2HG GLN 32 2.351 2.643 0.174 210 HE21 GLN 32 1HE2 GLN 32 3.140 0.748 -1.852 211 HE22 GLN 32 2HE2 GLN 32 3.009 1.562 -3.371 212 H ARG 33 H ARG 33 4.269 5.890 2.860 213 HA ARG 33 HA ARG 33 6.359 7.473 2.061 214 HB2 ARG 33 1HB ARG 33 4.721 7.374 4.561 215 HB3 ARG 33 2HB ARG 33 6.094 8.471 4.485 216 HG2 ARG 33 1HG ARG 33 5.121 9.462 2.429 217 HG3 ARG 33 2HG ARG 33 3.703 8.436 2.658 218 HD2 ARG 33 1HD ARG 33 3.045 9.559 4.581 219 HD3 ARG 33 2HD ARG 33 4.656 10.218 4.864 220 HE ARG 33 HE ARG 33 2.606 11.300 3.132 221 HH11 ARG 33 1HH1 ARG 33 5.973 11.294 4.017 222 HH12 ARG 33 2HH1 ARG 33 6.286 12.861 3.346 223 HH21 ARG 33 1HH2 ARG 33 3.006 13.363 2.245 224 HH22 ARG 33 2HH2 ARG 33 4.597 14.037 2.339 225 H VAL 34 H VAL 34 6.292 5.435 4.986 226 HA VAL 34 HA VAL 34 8.695 5.877 6.106 227 HB VAL 34 HB VAL 34 8.820 3.461 6.699 228 HG11 VAL 34 1HG1 VAL 34 6.200 3.550 7.473 229 HG12 VAL 34 2HG1 VAL 34 7.537 4.340 8.312 230 HG13 VAL 34 3HG1 VAL 34 6.554 5.249 7.163 231 HG21 VAL 34 3HG2 VAL 34 6.272 2.659 5.683 232 HG22 VAL 34 1HG2 VAL 34 7.299 3.171 4.344 233 HG23 VAL 34 2HG2 VAL 34 7.849 1.907 5.444 234 H HIS 35 H HIS 35 8.157 4.433 2.997 235 HA HIS 35 HA HIS 35 11.001 3.754 2.751 236 HB2 HIS 35 1HB HIS 35 8.825 3.115 0.762 237 HB3 HIS 35 2HB HIS 35 10.418 2.377 0.898 238 HD1 HIS 35 HD1 HIS 35 10.670 1.277 3.550 239 HD2 HIS 35 HD2 HIS 35 6.957 1.416 1.690 240 HE1 HIS 35 HE1 HIS 35 9.267 -0.453 4.718 241 H SER 36 H SER 36 12.325 4.723 1.280 242 HA SER 36 HA SER 36 11.733 7.340 0.449 243 HB2 SER 36 1HB SER 36 14.032 6.188 0.820 244 HB3 SER 36 2HB SER 36 13.871 5.679 -0.861 245 HG SER 36 HG SER 36 14.531 8.106 0.149 246 H GLY 37 H GLY 37 12.087 4.362 -1.485 247 HA2 GLY 37 1HA GLY 37 11.032 3.730 -3.434 248 HA3 GLY 37 2HA GLY 37 9.949 5.099 -3.231 249 H GLU 38 H GLU 38 10.875 4.327 -5.727 250 HA GLU 38 HA GLU 38 12.997 6.223 -6.405 251 HB2 GLU 38 1HB GLU 38 11.728 3.914 -7.846 252 HB3 GLU 38 2HB GLU 38 12.659 5.116 -8.728 253 HG2 GLU 38 1HG GLU 38 14.303 3.616 -8.315 254 HG3 GLU 38 2HG GLU 38 14.443 4.590 -6.853 255 H LYS 39 H LYS 39 11.676 8.101 -6.046 256 HA LYS 39 HA LYS 39 10.035 8.737 -8.388 257 HB2 LYS 39 1HB LYS 39 9.219 9.143 -5.509 258 HB3 LYS 39 2HB LYS 39 8.434 9.952 -6.859 259 HG2 LYS 39 1HG LYS 39 8.645 6.962 -6.651 260 HG3 LYS 39 2HG LYS 39 7.294 7.884 -5.986 261 HD2 LYS 39 1HD LYS 39 6.776 8.758 -8.195 262 HD3 LYS 39 2HD LYS 39 8.165 7.907 -8.876 263 HE2 LYS 39 1HE LYS 39 6.352 6.528 -9.385 264 HE3 LYS 39 2HE LYS 39 7.068 5.781 -7.957 265 HZ1 LYS 39 3HZ LYS 39 5.240 6.161 -6.762 266 HZ2 LYS 39 1HZ LYS 39 4.459 6.432 -8.239 267 HZ3 LYS 39 2HZ LYS 39 5.053 7.738 -7.343 268 HA PRO 40 HA PRO 40 12.424 12.434 -8.394 269 HB2 PRO 40 1HB PRO 40 10.774 14.016 -9.858 270 HB3 PRO 40 2HB PRO 40 11.725 12.705 -10.566 271 HG2 PRO 40 1HG PRO 40 8.839 12.736 -9.772 272 HG3 PRO 40 2HG PRO 40 9.591 12.061 -11.229 273 HD2 PRO 40 1HD PRO 40 8.869 10.526 -9.118 274 HD3 PRO 40 2HD PRO 40 10.266 10.142 -10.144 275 H SER 41 H SER 41 12.305 14.736 -7.801 276 HA SER 41 HA SER 41 10.973 15.095 -5.324 277 HB2 SER 41 1HB SER 41 13.133 16.168 -5.844 278 HB3 SER 41 2HB SER 41 12.341 17.156 -7.072 279 HG SER 41 HG SER 41 12.588 17.686 -4.511 280 H GLY 42 H GLY 42 9.035 15.927 -4.859 281 HA2 GLY 42 1HA GLY 42 7.475 17.059 -7.090 282 HA3 GLY 42 2HA GLY 42 6.788 16.246 -5.692 283 HA PRO 43 HA PRO 43 6.526 20.860 -5.084 284 HB2 PRO 43 1HB PRO 43 3.875 20.889 -4.499 285 HB3 PRO 43 2HB PRO 43 4.496 21.003 -6.150 286 HG2 PRO 43 1HG PRO 43 3.415 18.622 -4.693 287 HG3 PRO 43 2HG PRO 43 3.119 19.141 -6.362 288 HD2 PRO 43 1HD PRO 43 4.867 17.170 -5.739 289 HD3 PRO 43 2HD PRO 43 5.105 18.254 -7.124 290 H SER 44 H SER 44 7.697 20.800 -3.178 291 HA SER 44 HA SER 44 7.139 19.401 -0.866 292 HB2 SER 44 1HB SER 44 8.417 21.220 0.315 293 HB3 SER 44 2HB SER 44 9.237 20.555 -1.097 294 HG SER 44 HG SER 44 8.995 22.401 -2.128 295 H SER 45 H SER 45 6.098 19.923 1.088 296 HA SER 45 HA SER 45 3.656 21.414 0.732 297 HB2 SER 45 1HB SER 45 4.107 19.188 2.091 298 HB3 SER 45 2HB SER 45 4.477 20.320 3.392 299 HG SER 45 HG SER 45 2.384 21.266 2.967 300 H GLY 46 H GLY 46 2.925 23.066 2.236 301 HA2 GLY 46 1HA GLY 46 3.871 24.474 4.174 302 HA3 GLY 46 2HA GLY 46 5.160 24.813 3.028 Start of MODEL 2 1 H1 GLY 1 H GLY 1 10.454 -22.833 -4.834 2 HA2 GLY 1 1HA GLY 1 13.253 -22.515 -5.360 3 HA3 GLY 1 2HA GLY 1 12.312 -22.623 -6.841 4 H SER 2 H SER 2 10.224 -21.172 -6.683 5 HA SER 2 HA SER 2 10.513 -18.735 -5.205 6 HB2 SER 2 1HB SER 2 10.876 -17.234 -7.083 7 HB3 SER 2 2HB SER 2 12.195 -18.401 -7.007 8 HG SER 2 HG SER 2 10.580 -19.585 -8.543 9 H SER 3 H SER 3 8.571 -17.821 -4.932 10 HA SER 3 HA SER 3 6.444 -18.408 -6.871 11 HB2 SER 3 1HB SER 3 4.870 -18.688 -4.913 12 HB3 SER 3 2HB SER 3 6.047 -19.986 -5.112 13 HG SER 3 HG SER 3 5.734 -19.055 -2.919 14 H GLY 4 H GLY 4 4.660 -16.907 -6.827 15 HA2 GLY 4 1HA GLY 4 4.614 -14.600 -5.197 16 HA3 GLY 4 2HA GLY 4 5.442 -14.229 -6.702 17 H SER 5 H SER 5 2.484 -15.911 -5.632 18 HA SER 5 HA SER 5 1.038 -14.483 -7.766 19 HB2 SER 5 1HB SER 5 1.390 -16.957 -8.200 20 HB3 SER 5 2HB SER 5 0.358 -17.267 -6.804 21 HG SER 5 HG SER 5 -1.158 -17.158 -8.272 22 H SER 6 H SER 6 -0.246 -13.035 -6.844 23 HA SER 6 HA SER 6 -1.492 -13.674 -4.260 24 HB2 SER 6 1HB SER 6 -0.803 -11.078 -5.615 25 HB3 SER 6 2HB SER 6 -1.990 -11.131 -4.312 26 HG SER 6 HG SER 6 -0.319 -11.052 -3.049 27 H GLY 7 H GLY 7 -3.149 -14.977 -5.187 28 HA2 GLY 7 1HA GLY 7 -4.990 -13.748 -7.068 29 HA3 GLY 7 2HA GLY 7 -5.090 -15.379 -6.422 30 H THR 8 H THR 8 -6.781 -15.722 -5.164 31 HA THR 8 HA THR 8 -8.484 -13.665 -4.263 32 HB THR 8 HB THR 8 -9.212 -16.014 -4.689 33 HG1 THR 8 HG1 THR 8 -9.819 -15.253 -2.021 34 HG21 THR 8 3HG2 THR 8 -7.142 -16.689 -2.997 35 HG22 THR 8 1HG2 THR 8 -8.422 -17.771 -3.545 36 HG23 THR 8 2HG2 THR 8 -8.574 -16.937 -1.998 37 H GLY 9 H GLY 9 -8.927 -12.913 -2.162 38 HA2 GLY 9 1HA GLY 9 -7.679 -13.686 0.195 39 HA3 GLY 9 2HA GLY 9 -6.634 -12.482 -0.544 40 H GLU 10 H GLU 10 -7.480 -11.754 1.807 41 HA GLU 10 HA GLU 10 -9.884 -10.107 1.415 42 HB2 GLU 10 1HB GLU 10 -10.049 -11.560 3.336 43 HB3 GLU 10 2HB GLU 10 -8.490 -11.013 3.937 44 HG2 GLU 10 1HG GLU 10 -9.331 -8.906 4.528 45 HG3 GLU 10 2HG GLU 10 -10.796 -9.132 3.574 46 H LYS 11 H LYS 11 -6.472 -10.004 1.915 47 HA LYS 11 HA LYS 11 -6.584 -7.082 2.266 48 HB2 LYS 11 1HB LYS 11 -4.421 -9.065 2.982 49 HB3 LYS 11 2HB LYS 11 -4.212 -7.321 3.064 50 HG2 LYS 11 1HG LYS 11 -5.673 -7.099 4.850 51 HG3 LYS 11 2HG LYS 11 -6.451 -8.651 4.533 52 HD2 LYS 11 1HD LYS 11 -4.382 -9.803 5.207 53 HD3 LYS 11 2HD LYS 11 -3.644 -8.240 5.565 54 HE2 LYS 11 1HE LYS 11 -6.220 -9.086 6.849 55 HE3 LYS 11 2HE LYS 11 -4.662 -9.584 7.507 56 HZ1 LYS 11 3HZ LYS 11 -5.644 -6.806 7.153 57 HZ2 LYS 11 1HZ LYS 11 -4.060 -7.196 7.602 58 HZ3 LYS 11 2HZ LYS 11 -5.352 -7.607 8.614 59 HA PRO 12 HA PRO 12 -5.122 -7.711 -2.063 60 HB2 PRO 12 1HB PRO 12 -6.431 -5.545 -3.046 61 HB3 PRO 12 2HB PRO 12 -7.193 -7.130 -2.870 62 HG2 PRO 12 1HG PRO 12 -7.365 -4.737 -1.080 63 HG3 PRO 12 2HG PRO 12 -8.654 -5.835 -1.606 64 HD2 PRO 12 1HD PRO 12 -7.485 -6.021 0.829 65 HD3 PRO 12 2HD PRO 12 -8.095 -7.439 -0.048 66 H TYR 13 H TYR 13 -4.499 -5.640 0.422 67 HA TYR 13 HA TYR 13 -2.758 -3.919 -1.213 68 HB2 TYR 13 1HB TYR 13 -3.719 -3.412 1.608 69 HB3 TYR 13 2HB TYR 13 -2.829 -2.295 0.580 70 HD1 TYR 13 HD1 TYR 13 -6.088 -3.840 1.231 71 HD2 TYR 13 HD2 TYR 13 -3.939 -1.102 -1.216 72 HE1 TYR 13 HE1 TYR 13 -8.213 -2.938 0.385 73 HE2 TYR 13 HE2 TYR 13 -6.058 -0.192 -2.069 74 HH TYR 13 HH TYR 13 -8.286 -0.503 -2.172 75 H GLU 14 H GLU 14 -0.627 -4.149 -1.034 76 HA GLU 14 HA GLU 14 0.559 -5.147 1.423 77 HB2 GLU 14 1HB GLU 14 -0.054 -7.099 -0.181 78 HB3 GLU 14 2HB GLU 14 1.312 -6.532 -1.131 79 HG2 GLU 14 1HG GLU 14 2.797 -6.867 0.756 80 HG3 GLU 14 2HG GLU 14 1.436 -7.371 1.757 81 H CYS 15 H CYS 15 2.651 -4.483 1.727 82 HA CYS 15 HA CYS 15 3.579 -2.386 -0.035 83 HB2 CYS 15 1HB CYS 15 3.646 -2.250 2.486 84 HB3 CYS 15 2HB CYS 15 4.934 -3.449 2.446 85 H ASP 16 H ASP 16 5.229 -2.487 -1.443 86 HA ASP 16 HA ASP 16 6.443 -5.093 -1.913 87 HB2 ASP 16 1HB ASP 16 6.589 -2.535 -3.522 88 HB3 ASP 16 2HB ASP 16 7.255 -4.089 -4.015 89 H VAL 17 H VAL 17 7.203 -3.381 0.386 90 HA VAL 17 HA VAL 17 10.086 -3.256 -0.189 91 HB VAL 17 HB VAL 17 8.543 -1.249 1.462 92 HG11 VAL 17 1HG1 VAL 17 10.652 -1.534 2.491 93 HG12 VAL 17 2HG1 VAL 17 11.486 -1.595 0.936 94 HG13 VAL 17 3HG1 VAL 17 10.784 -0.079 1.505 95 HG21 VAL 17 3HG2 VAL 17 10.148 -0.532 -0.942 96 HG22 VAL 17 1HG2 VAL 17 8.547 -1.236 -1.170 97 HG23 VAL 17 2HG2 VAL 17 8.730 0.260 -0.253 98 H CYS 18 H CYS 18 7.575 -3.457 2.305 99 HA CYS 18 HA CYS 18 9.474 -4.966 3.981 100 HB2 CYS 18 1HB CYS 18 8.164 -4.201 5.934 101 HB3 CYS 18 2HB CYS 18 8.874 -2.860 5.041 102 H ARG 19 H ARG 19 6.748 -5.195 2.092 103 HA ARG 19 HA ARG 19 5.196 -6.821 1.747 104 HB2 ARG 19 1HB ARG 19 7.157 -8.326 3.471 105 HB3 ARG 19 2HB ARG 19 5.704 -9.083 2.831 106 HG2 ARG 19 1HG ARG 19 7.616 -9.575 1.431 107 HG3 ARG 19 2HG ARG 19 6.448 -8.584 0.556 108 HD2 ARG 19 1HD ARG 19 7.808 -6.739 0.554 109 HD3 ARG 19 2HD ARG 19 8.641 -7.220 2.031 110 HE ARG 19 HE ARG 19 9.464 -9.095 0.311 111 HH11 ARG 19 1HH1 ARG 19 9.279 -5.630 0.032 112 HH12 ARG 19 2HH1 ARG 19 10.627 -5.515 -1.051 113 HH21 ARG 19 1HH2 ARG 19 11.240 -8.956 -1.113 114 HH22 ARG 19 2HH2 ARG 19 11.741 -7.408 -1.702 115 H LYS 20 H LYS 20 4.457 -4.940 3.560 116 HA LYS 20 HA LYS 20 3.315 -6.359 5.851 117 HB2 LYS 20 1HB LYS 20 3.871 -3.504 5.205 118 HB3 LYS 20 2HB LYS 20 2.529 -3.851 6.289 119 HG2 LYS 20 1HG LYS 20 4.171 -5.232 7.642 120 HG3 LYS 20 2HG LYS 20 5.438 -4.484 6.668 121 HD2 LYS 20 1HD LYS 20 4.150 -2.274 7.374 122 HD3 LYS 20 2HD LYS 20 3.663 -3.290 8.733 123 HE2 LYS 20 1HE LYS 20 6.507 -2.798 7.854 124 HE3 LYS 20 2HE LYS 20 5.705 -1.989 9.200 125 HZ1 LYS 20 3HZ LYS 20 6.633 -3.654 10.364 126 HZ2 LYS 20 1HZ LYS 20 6.773 -4.681 9.027 127 HZ3 LYS 20 2HZ LYS 20 5.293 -4.539 9.834 128 H ALA 21 H ALA 21 1.131 -6.542 6.209 129 HA ALA 21 HA ALA 21 -0.585 -5.909 3.903 130 HB1 ALA 21 3HB ALA 21 -0.194 -8.318 5.152 131 HB2 ALA 21 1HB ALA 21 -1.692 -7.742 5.885 132 HB3 ALA 21 2HB ALA 21 -1.572 -7.901 4.132 133 H PHE 22 H PHE 22 -2.310 -4.607 4.131 134 HA PHE 22 HA PHE 22 -2.992 -3.707 6.853 135 HB2 PHE 22 1HB PHE 22 -3.100 -2.042 4.330 136 HB3 PHE 22 2HB PHE 22 -3.447 -1.491 5.966 137 HD1 PHE 22 HD1 PHE 22 -0.755 -2.793 3.782 138 HD2 PHE 22 HD2 PHE 22 -1.740 -0.703 7.357 139 HE1 PHE 22 HE1 PHE 22 1.609 -2.176 4.069 140 HE2 PHE 22 HE2 PHE 22 0.622 -0.081 7.649 141 HZ PHE 22 HZ PHE 22 2.300 -0.818 6.003 142 H SER 23 H SER 23 -5.202 -2.990 7.157 143 HA SER 23 HA SER 23 -7.061 -4.757 5.867 144 HB2 SER 23 1HB SER 23 -7.472 -4.425 8.168 145 HB3 SER 23 2HB SER 23 -7.310 -2.675 8.032 146 HG SER 23 HG SER 23 -9.313 -3.888 6.527 147 H HIS 24 H HIS 24 -6.636 -1.232 6.023 148 HA HIS 24 HA HIS 24 -8.533 -0.953 3.796 149 HB2 HIS 24 1HB HIS 24 -8.136 1.587 4.512 150 HB3 HIS 24 2HB HIS 24 -9.309 0.558 5.328 151 HD1 HIS 24 HD1 HIS 24 -6.686 2.828 6.067 152 HD2 HIS 24 HD2 HIS 24 -7.953 -0.778 7.697 153 HE1 HIS 24 HE1 HIS 24 -5.717 2.761 8.387 154 H HIS 25 H HIS 25 -7.912 1.143 2.446 155 HA HIS 25 HA HIS 25 -5.333 0.524 1.266 156 HB2 HIS 25 1HB HIS 25 -6.047 2.073 -0.527 157 HB3 HIS 25 2HB HIS 25 -7.229 0.801 -0.231 158 HD1 HIS 25 HD1 HIS 25 -6.818 4.455 -0.269 159 HD2 HIS 25 HD2 HIS 25 -9.593 1.703 1.140 160 HE1 HIS 25 HE1 HIS 25 -8.897 5.784 0.215 161 H ALA 26 H ALA 26 -6.997 3.476 2.380 162 HA ALA 26 HA ALA 26 -5.076 5.355 2.136 163 HB1 ALA 26 3HB ALA 26 -7.411 5.477 3.252 164 HB2 ALA 26 1HB ALA 26 -6.524 5.182 4.748 165 HB3 ALA 26 2HB ALA 26 -6.151 6.599 3.766 166 H SER 27 H SER 27 -4.971 2.610 4.238 167 HA SER 27 HA SER 27 -2.983 3.561 6.033 168 HB2 SER 27 1HB SER 27 -2.679 1.104 6.546 169 HB3 SER 27 2HB SER 27 -4.328 1.702 6.724 170 HG SER 27 HG SER 27 -4.698 0.004 5.500 171 H LEU 28 H LEU 28 -2.845 1.537 3.117 172 HA LEU 28 HA LEU 28 -0.003 1.276 3.180 173 HB2 LEU 28 1HB LEU 28 -1.378 -0.400 2.106 174 HB3 LEU 28 2HB LEU 28 -2.000 0.799 0.973 175 HG LEU 28 HG LEU 28 0.331 1.031 0.079 176 HD11 LEU 28 1HD1 LEU 28 0.789 -1.336 1.883 177 HD12 LEU 28 2HD1 LEU 28 1.623 0.217 1.912 178 HD13 LEU 28 3HD1 LEU 28 1.858 -0.884 0.554 179 HD21 LEU 28 3HD2 LEU 28 -0.246 -1.810 -0.324 180 HD22 LEU 28 1HD2 LEU 28 -0.170 -0.488 -1.489 181 HD23 LEU 28 2HD2 LEU 28 -1.638 -0.749 -0.547 182 H THR 29 H THR 29 -2.212 3.095 1.053 183 HA THR 29 HA THR 29 -0.478 4.392 -0.577 184 HB THR 29 HB THR 29 -3.062 4.652 -0.333 185 HG1 THR 29 HG1 THR 29 -1.817 7.070 -1.031 186 HG21 THR 29 3HG2 THR 29 -3.061 5.689 1.869 187 HG22 THR 29 1HG2 THR 29 -3.717 6.805 0.673 188 HG23 THR 29 2HG2 THR 29 -2.070 7.015 1.265 189 H GLN 30 H GLN 30 -1.139 5.163 2.798 190 HA GLN 30 HA GLN 30 0.571 7.494 2.753 191 HB2 GLN 30 1HB GLN 30 -1.335 7.610 4.193 192 HB3 GLN 30 2HB GLN 30 -0.922 6.083 4.963 193 HG2 GLN 30 1HG GLN 30 1.002 8.349 5.116 194 HG3 GLN 30 2HG GLN 30 -0.430 8.359 6.144 195 HE21 GLN 30 1HE2 GLN 30 2.619 7.877 6.443 196 HE22 GLN 30 2HE2 GLN 30 2.686 6.506 7.492 197 H HIS 31 H HIS 31 0.597 4.505 4.705 198 HA HIS 31 HA HIS 31 3.021 4.629 5.871 199 HB2 HIS 31 1HB HIS 31 1.907 2.687 6.411 200 HB3 HIS 31 2HB HIS 31 1.472 2.345 4.739 201 HD1 HIS 31 HD1 HIS 31 4.197 1.843 7.241 202 HD2 HIS 31 HD2 HIS 31 3.371 0.883 3.284 203 HE1 HIS 31 HE1 HIS 31 5.922 0.131 6.590 204 H GLN 32 H GLN 32 2.539 3.203 2.635 205 HA GLN 32 HA GLN 32 4.995 2.544 1.843 206 HB2 GLN 32 1HB GLN 32 2.849 4.017 0.359 207 HB3 GLN 32 2HB GLN 32 4.382 3.675 -0.433 208 HG2 GLN 32 1HG GLN 32 2.835 1.493 0.902 209 HG3 GLN 32 2HG GLN 32 2.420 2.033 -0.724 210 HE21 GLN 32 1HE2 GLN 32 3.176 0.639 -2.138 211 HE22 GLN 32 2HE2 GLN 32 4.741 -0.091 -2.115 212 H ARG 33 H ARG 33 3.858 5.867 2.173 213 HA ARG 33 HA ARG 33 5.839 7.322 1.008 214 HB2 ARG 33 1HB ARG 33 4.430 7.807 3.632 215 HB3 ARG 33 2HB ARG 33 5.492 8.993 2.884 216 HG2 ARG 33 1HG ARG 33 4.014 8.866 0.849 217 HG3 ARG 33 2HG ARG 33 2.890 7.923 1.831 218 HD2 ARG 33 1HD ARG 33 2.168 10.190 1.904 219 HD3 ARG 33 2HD ARG 33 2.878 9.812 3.473 220 HE ARG 33 HE ARG 33 4.716 11.008 1.608 221 HH11 ARG 33 1HH1 ARG 33 2.317 11.596 4.061 222 HH12 ARG 33 2HH1 ARG 33 2.920 13.172 4.457 223 HH21 ARG 33 1HH2 ARG 33 5.519 13.081 2.121 224 HH22 ARG 33 2HH2 ARG 33 4.741 14.015 3.353 225 H VAL 34 H VAL 34 5.928 6.161 4.381 226 HA VAL 34 HA VAL 34 8.298 7.006 5.289 227 HB VAL 34 HB VAL 34 8.585 4.898 6.522 228 HG11 VAL 34 1HG1 VAL 34 7.109 6.204 7.674 229 HG12 VAL 34 2HG1 VAL 34 5.950 6.262 6.345 230 HG13 VAL 34 3HG1 VAL 34 6.076 4.814 7.345 231 HG21 VAL 34 3HG2 VAL 34 7.014 3.864 4.317 232 HG22 VAL 34 1HG2 VAL 34 8.015 3.007 5.489 233 HG23 VAL 34 2HG2 VAL 34 6.341 3.401 5.879 234 H HIS 35 H HIS 35 7.859 4.609 2.773 235 HA HIS 35 HA HIS 35 10.709 4.045 2.639 236 HB2 HIS 35 1HB HIS 35 8.503 3.049 0.827 237 HB3 HIS 35 2HB HIS 35 10.135 2.401 0.962 238 HD1 HIS 35 HD1 HIS 35 10.371 2.151 4.006 239 HD2 HIS 35 HD2 HIS 35 7.012 1.016 1.840 240 HE1 HIS 35 HE1 HIS 35 9.186 0.460 5.441 241 H SER 36 H SER 36 11.895 5.620 1.752 242 HA SER 36 HA SER 36 10.869 7.313 -0.338 243 HB2 SER 36 1HB SER 36 13.409 7.153 1.229 244 HB3 SER 36 2HB SER 36 13.413 8.042 -0.294 245 HG SER 36 HG SER 36 11.455 8.497 1.691 246 H GLY 37 H GLY 37 10.459 5.977 -2.098 247 HA2 GLY 37 1HA GLY 37 12.326 4.109 -3.135 248 HA3 GLY 37 2HA GLY 37 10.926 4.749 -3.984 249 H GLU 38 H GLU 38 12.801 4.398 -5.662 250 HA GLU 38 HA GLU 38 14.459 6.813 -5.821 251 HB2 GLU 38 1HB GLU 38 15.718 5.611 -7.557 252 HB3 GLU 38 2HB GLU 38 15.660 4.706 -6.051 253 HG2 GLU 38 1HG GLU 38 15.214 3.033 -7.514 254 HG3 GLU 38 2HG GLU 38 13.571 3.587 -7.200 255 H LYS 39 H LYS 39 11.730 7.144 -6.290 256 HA LYS 39 HA LYS 39 11.792 8.334 -8.888 257 HB2 LYS 39 1HB LYS 39 10.035 7.088 -9.941 258 HB3 LYS 39 2HB LYS 39 11.271 5.948 -9.427 259 HG2 LYS 39 1HG LYS 39 9.957 5.170 -7.636 260 HG3 LYS 39 2HG LYS 39 8.830 6.522 -7.777 261 HD2 LYS 39 1HD LYS 39 7.634 4.846 -8.803 262 HD3 LYS 39 2HD LYS 39 8.461 5.563 -10.189 263 HE2 LYS 39 1HE LYS 39 8.747 3.249 -10.445 264 HE3 LYS 39 2HE LYS 39 10.280 3.825 -9.793 265 HZ1 LYS 39 3HZ LYS 39 9.811 1.959 -8.529 266 HZ2 LYS 39 1HZ LYS 39 8.155 2.296 -8.433 267 HZ3 LYS 39 2HZ LYS 39 9.258 3.216 -7.540 268 HA PRO 40 HA PRO 40 8.975 11.006 -6.814 269 HB2 PRO 40 1HB PRO 40 7.934 12.292 -8.966 270 HB3 PRO 40 2HB PRO 40 9.569 12.592 -8.366 271 HG2 PRO 40 1HG PRO 40 8.674 10.879 -10.653 272 HG3 PRO 40 2HG PRO 40 10.045 12.000 -10.564 273 HD2 PRO 40 1HD PRO 40 10.334 9.321 -10.295 274 HD3 PRO 40 2HD PRO 40 11.375 10.484 -9.448 275 H SER 41 H SER 41 8.021 8.481 -8.846 276 HA SER 41 HA SER 41 6.067 7.366 -9.189 277 HB2 SER 41 1HB SER 41 5.271 8.776 -6.629 278 HB3 SER 41 2HB SER 41 4.431 7.398 -7.338 279 HG SER 41 HG SER 41 7.180 7.224 -6.783 280 H GLY 42 H GLY 42 6.336 9.730 -10.635 281 HA2 GLY 42 1HA GLY 42 4.324 10.278 -12.087 282 HA3 GLY 42 2HA GLY 42 3.607 10.854 -10.589 283 HA PRO 43 HA PRO 43 6.174 14.172 -12.857 284 HB2 PRO 43 1HB PRO 43 4.134 15.589 -13.953 285 HB3 PRO 43 2HB PRO 43 4.950 14.268 -14.798 286 HG2 PRO 43 1HG PRO 43 2.350 14.248 -13.315 287 HG3 PRO 43 2HG PRO 43 2.755 13.502 -14.872 288 HD2 PRO 43 1HD PRO 43 2.655 12.091 -12.563 289 HD3 PRO 43 2HD PRO 43 3.775 11.688 -13.881 290 H SER 44 H SER 44 3.261 14.108 -10.929 291 HA SER 44 HA SER 44 2.367 15.578 -9.415 292 HB2 SER 44 1HB SER 44 3.975 16.287 -7.689 293 HB3 SER 44 2HB SER 44 4.236 14.605 -8.154 294 HG SER 44 HG SER 44 6.181 15.880 -8.019 295 H SER 45 H SER 45 2.595 16.782 -11.905 296 HA SER 45 HA SER 45 3.595 19.484 -11.335 297 HB2 SER 45 1HB SER 45 3.071 17.962 -13.865 298 HB3 SER 45 2HB SER 45 3.059 19.725 -13.892 299 HG SER 45 HG SER 45 5.152 19.721 -13.723 300 H GLY 46 H GLY 46 2.236 21.123 -10.990 301 HA2 GLY 46 1HA GLY 46 0.304 22.385 -10.999 302 HA3 GLY 46 2HA GLY 46 -0.371 21.258 -12.165 Start of MODEL 3 1 H1 GLY 1 H GLY 1 9.158 -31.561 0.312 2 HA2 GLY 1 1HA GLY 1 6.711 -32.117 0.044 3 HA3 GLY 1 2HA GLY 1 7.013 -30.436 0.457 4 H SER 2 H SER 2 6.276 -32.659 -2.160 5 HA SER 2 HA SER 2 6.200 -31.140 -4.381 6 HB2 SER 2 1HB SER 2 4.026 -33.029 -3.448 7 HB3 SER 2 2HB SER 2 4.184 -32.425 -5.098 8 HG SER 2 HG SER 2 5.651 -34.346 -3.763 9 H SER 3 H SER 3 3.761 -31.080 -1.810 10 HA SER 3 HA SER 3 2.368 -28.879 -3.117 11 HB2 SER 3 1HB SER 3 0.672 -29.162 -1.410 12 HB3 SER 3 2HB SER 3 1.094 -30.748 -2.056 13 HG SER 3 HG SER 3 2.120 -31.246 -0.216 14 H GLY 4 H GLY 4 3.338 -26.959 -2.882 15 HA2 GLY 4 1HA GLY 4 3.584 -25.833 -0.245 16 HA3 GLY 4 2HA GLY 4 5.137 -26.108 -1.021 17 H SER 5 H SER 5 2.704 -23.902 -0.549 18 HA SER 5 HA SER 5 3.804 -22.159 -2.607 19 HB2 SER 5 1HB SER 5 1.655 -23.450 -3.399 20 HB3 SER 5 2HB SER 5 0.817 -22.270 -2.391 21 HG SER 5 HG SER 5 2.742 -21.386 -4.230 22 H SER 6 H SER 6 3.545 -19.952 -2.177 23 HA SER 6 HA SER 6 2.580 -19.347 0.541 24 HB2 SER 6 1HB SER 6 4.793 -17.997 -1.023 25 HB3 SER 6 2HB SER 6 4.239 -17.515 0.580 26 HG SER 6 HG SER 6 6.108 -19.214 0.084 27 H GLY 7 H GLY 7 1.173 -17.691 0.832 28 HA2 GLY 7 1HA GLY 7 0.531 -16.017 -1.509 29 HA3 GLY 7 2HA GLY 7 -0.748 -16.832 -0.621 30 H THR 8 H THR 8 -0.948 -16.287 1.699 31 HA THR 8 HA THR 8 -1.176 -14.795 3.406 32 HB THR 8 HB THR 8 1.094 -13.232 2.170 33 HG1 THR 8 HG1 THR 8 1.498 -15.082 4.243 34 HG21 THR 8 3HG2 THR 8 1.413 -12.941 4.797 35 HG22 THR 8 1HG2 THR 8 -0.330 -13.208 4.777 36 HG23 THR 8 2HG2 THR 8 0.369 -11.875 3.857 37 H GLY 9 H GLY 9 -2.728 -14.510 1.039 38 HA2 GLY 9 1HA GLY 9 -2.924 -11.611 0.647 39 HA3 GLY 9 2HA GLY 9 -3.718 -12.840 -0.327 40 H GLU 10 H GLU 10 -3.825 -11.035 2.670 41 HA GLU 10 HA GLU 10 -6.529 -12.055 3.192 42 HB2 GLU 10 1HB GLU 10 -4.578 -10.568 4.954 43 HB3 GLU 10 2HB GLU 10 -6.233 -10.928 5.424 44 HG2 GLU 10 1HG GLU 10 -5.834 -13.193 5.601 45 HG3 GLU 10 2HG GLU 10 -4.424 -13.132 4.544 46 H LYS 11 H LYS 11 -4.757 -9.255 2.228 47 HA LYS 11 HA LYS 11 -7.274 -7.787 1.938 48 HB2 LYS 11 1HB LYS 11 -4.777 -6.704 3.249 49 HB3 LYS 11 2HB LYS 11 -6.114 -5.697 2.708 50 HG2 LYS 11 1HG LYS 11 -6.689 -5.940 4.889 51 HG3 LYS 11 2HG LYS 11 -7.506 -7.356 4.224 52 HD2 LYS 11 1HD LYS 11 -5.689 -8.784 4.898 53 HD3 LYS 11 2HD LYS 11 -4.734 -7.392 5.415 54 HE2 LYS 11 1HE LYS 11 -5.656 -8.362 7.375 55 HE3 LYS 11 2HE LYS 11 -6.563 -6.883 7.063 56 HZ1 LYS 11 3HZ LYS 11 -8.392 -8.108 7.127 57 HZ2 LYS 11 1HZ LYS 11 -7.506 -9.545 7.237 58 HZ3 LYS 11 2HZ LYS 11 -7.889 -8.902 5.720 59 HA PRO 12 HA PRO 12 -5.694 -6.882 -2.065 60 HB2 PRO 12 1HB PRO 12 -7.100 -4.626 -2.614 61 HB3 PRO 12 2HB PRO 12 -7.831 -6.235 -2.606 62 HG2 PRO 12 1HG PRO 12 -7.871 -4.126 -0.483 63 HG3 PRO 12 2HG PRO 12 -9.190 -5.164 -1.052 64 HD2 PRO 12 1HD PRO 12 -7.817 -5.671 1.225 65 HD3 PRO 12 2HD PRO 12 -8.487 -6.962 0.207 66 H TYR 13 H TYR 13 -5.005 -5.050 0.640 67 HA TYR 13 HA TYR 13 -3.295 -3.204 -0.892 68 HB2 TYR 13 1HB TYR 13 -3.967 -2.750 1.990 69 HB3 TYR 13 2HB TYR 13 -3.561 -1.577 0.743 70 HD1 TYR 13 HD2 TYR 13 -5.391 -1.914 -1.368 71 HD2 TYR 13 HD1 TYR 13 -6.099 -2.436 2.794 72 HE1 TYR 13 HE2 TYR 13 -7.781 -1.458 -1.724 73 HE2 TYR 13 HE1 TYR 13 -8.492 -1.983 2.450 74 HH TYR 13 HH TYR 13 -10.121 -1.775 0.893 75 H GLU 14 H GLU 14 -1.323 -4.075 -1.020 76 HA GLU 14 HA GLU 14 -0.028 -4.895 1.484 77 HB2 GLU 14 1HB GLU 14 -0.842 -6.812 -0.133 78 HB3 GLU 14 2HB GLU 14 0.608 -6.382 -1.029 79 HG2 GLU 14 1HG GLU 14 1.473 -7.992 0.306 80 HG3 GLU 14 2HG GLU 14 1.715 -6.600 1.359 81 H CYS 15 H CYS 15 2.091 -4.313 1.690 82 HA CYS 15 HA CYS 15 3.055 -2.282 -0.096 83 HB2 CYS 15 1HB CYS 15 3.356 -2.571 2.518 84 HB3 CYS 15 2HB CYS 15 4.788 -3.470 2.026 85 H ASP 16 H ASP 16 5.498 -2.391 -0.672 86 HA ASP 16 HA ASP 16 5.988 -5.004 -1.941 87 HB2 ASP 16 1HB ASP 16 5.579 -3.237 -3.574 88 HB3 ASP 16 2HB ASP 16 6.840 -2.246 -2.845 89 H VAL 17 H VAL 17 7.638 -2.181 -0.539 90 HA VAL 17 HA VAL 17 10.207 -3.303 -0.437 91 HB VAL 17 HB VAL 17 8.981 -1.205 1.357 92 HG11 VAL 17 1HG1 VAL 17 11.393 -0.543 1.698 93 HG12 VAL 17 2HG1 VAL 17 10.890 -2.040 2.484 94 HG13 VAL 17 3HG1 VAL 17 11.831 -2.099 0.994 95 HG21 VAL 17 3HG2 VAL 17 9.415 0.329 -0.227 96 HG22 VAL 17 1HG2 VAL 17 10.937 -0.435 -0.688 97 HG23 VAL 17 2HG2 VAL 17 9.412 -1.050 -1.326 98 H CYS 18 H CYS 18 7.840 -2.939 2.211 99 HA CYS 18 HA CYS 18 9.303 -4.921 3.773 100 HB2 CYS 18 1HB CYS 18 7.997 -4.213 5.645 101 HB3 CYS 18 2HB CYS 18 8.493 -2.759 4.785 102 H ARG 19 H ARG 19 6.463 -4.621 1.847 103 HA ARG 19 HA ARG 19 4.882 -6.119 1.191 104 HB2 ARG 19 1HB ARG 19 6.707 -8.132 2.519 105 HB3 ARG 19 2HB ARG 19 5.367 -8.522 1.448 106 HG2 ARG 19 1HG ARG 19 7.666 -6.799 0.579 107 HG3 ARG 19 2HG ARG 19 7.692 -8.559 0.445 108 HD2 ARG 19 1HD ARG 19 5.430 -6.944 -0.681 109 HD3 ARG 19 2HD ARG 19 6.923 -7.181 -1.589 110 HE ARG 19 HE ARG 19 4.886 -9.157 -1.030 111 HH11 ARG 19 1HH1 ARG 19 8.161 -8.555 -2.046 112 HH12 ARG 19 2HH1 ARG 19 8.330 -10.078 -2.852 113 HH21 ARG 19 1HH2 ARG 19 5.096 -11.167 -2.089 114 HH22 ARG 19 2HH2 ARG 19 6.585 -11.563 -2.877 115 H LYS 20 H LYS 20 4.177 -4.714 3.347 116 HA LYS 20 HA LYS 20 3.198 -6.585 5.374 117 HB2 LYS 20 1HB LYS 20 4.345 -4.431 6.017 118 HB3 LYS 20 2HB LYS 20 2.957 -3.575 5.358 119 HG2 LYS 20 1HG LYS 20 1.502 -4.522 6.989 120 HG3 LYS 20 2HG LYS 20 2.762 -5.621 7.554 121 HD2 LYS 20 1HD LYS 20 3.987 -3.883 8.546 122 HD3 LYS 20 2HD LYS 20 3.110 -2.639 7.651 123 HE2 LYS 20 1HE LYS 20 2.278 -2.558 9.858 124 HE3 LYS 20 2HE LYS 20 1.043 -3.381 8.906 125 HZ1 LYS 20 3HZ LYS 20 1.335 -4.573 10.925 126 HZ2 LYS 20 1HZ LYS 20 3.016 -4.623 10.741 127 HZ3 LYS 20 2HZ LYS 20 2.024 -5.508 9.696 128 H ALA 21 H ALA 21 0.994 -6.692 5.953 129 HA ALA 21 HA ALA 21 -0.818 -5.999 3.748 130 HB1 ALA 21 3HB ALA 21 -2.127 -7.818 4.304 131 HB2 ALA 21 1HB ALA 21 -0.507 -8.404 4.682 132 HB3 ALA 21 2HB ALA 21 -1.567 -7.844 5.976 133 H PHE 22 H PHE 22 -2.389 -4.539 4.003 134 HA PHE 22 HA PHE 22 -2.961 -3.588 6.733 135 HB2 PHE 22 1HB PHE 22 -3.019 -1.968 4.179 136 HB3 PHE 22 2HB PHE 22 -3.354 -1.364 5.798 137 HD1 PHE 22 HD1 PHE 22 -0.705 -2.827 3.665 138 HD2 PHE 22 HD2 PHE 22 -1.625 -0.620 7.186 139 HE1 PHE 22 HE1 PHE 22 1.682 -2.304 3.956 140 HE2 PHE 22 HE2 PHE 22 0.760 -0.093 7.483 141 HZ PHE 22 HZ PHE 22 2.417 -0.934 5.866 142 H SER 23 H SER 23 -5.129 -2.546 6.950 143 HA SER 23 HA SER 23 -7.114 -4.025 5.352 144 HB2 SER 23 1HB SER 23 -8.561 -4.042 7.276 145 HB3 SER 23 2HB SER 23 -6.974 -4.610 7.794 146 HG SER 23 HG SER 23 -7.996 -1.979 8.112 147 H HIS 24 H HIS 24 -6.016 -1.534 4.522 148 HA HIS 24 HA HIS 24 -8.401 -0.110 3.967 149 HB2 HIS 24 1HB HIS 24 -7.634 0.550 6.416 150 HB3 HIS 24 2HB HIS 24 -6.527 1.602 5.540 151 HD1 HIS 24 HD1 HIS 24 -8.725 2.808 7.298 152 HD2 HIS 24 HD2 HIS 24 -9.154 2.069 3.232 153 HE1 HIS 24 HE1 HIS 24 -10.548 4.356 6.521 154 H HIS 25 H HIS 25 -8.018 0.331 1.903 155 HA HIS 25 HA HIS 25 -5.743 0.333 0.481 156 HB2 HIS 25 1HB HIS 25 -6.798 2.014 -1.057 157 HB3 HIS 25 2HB HIS 25 -7.843 0.661 -0.633 158 HD1 HIS 25 HD1 HIS 25 -7.476 4.346 -0.225 159 HD2 HIS 25 HD2 HIS 25 -10.065 1.322 0.963 160 HE1 HIS 25 HE1 HIS 25 -9.512 5.518 0.673 161 H ALA 26 H ALA 26 -6.945 3.100 2.335 162 HA ALA 26 HA ALA 26 -4.949 4.931 1.577 163 HB1 ALA 26 3HB ALA 26 -5.654 5.695 4.122 164 HB2 ALA 26 1HB ALA 26 -6.475 6.169 2.634 165 HB3 ALA 26 2HB ALA 26 -7.067 4.795 3.569 166 H SER 27 H SER 27 -5.203 2.884 4.484 167 HA SER 27 HA SER 27 -2.946 3.565 5.832 168 HB2 SER 27 1HB SER 27 -4.697 1.720 6.340 169 HB3 SER 27 2HB SER 27 -3.604 0.653 5.457 170 HG SER 27 HG SER 27 -2.003 1.805 7.033 171 H LEU 28 H LEU 28 -3.137 1.859 2.812 172 HA LEU 28 HA LEU 28 -0.372 1.018 2.859 173 HB2 LEU 28 1HB LEU 28 -2.131 -0.306 1.742 174 HB3 LEU 28 2HB LEU 28 -2.359 1.009 0.591 175 HG LEU 28 HG LEU 28 0.045 0.664 -0.098 176 HD11 LEU 28 1HD1 LEU 28 0.064 -2.095 0.815 177 HD12 LEU 28 2HD1 LEU 28 0.145 -0.935 2.141 178 HD13 LEU 28 3HD1 LEU 28 1.342 -0.880 0.847 179 HD21 LEU 28 3HD2 LEU 28 -0.828 -1.834 -0.959 180 HD22 LEU 28 1HD2 LEU 28 -1.056 -0.288 -1.779 181 HD23 LEU 28 2HD2 LEU 28 -2.305 -0.905 -0.696 182 H THR 29 H THR 29 -2.303 3.274 0.886 183 HA THR 29 HA THR 29 -0.178 4.361 -0.569 184 HB THR 29 HB THR 29 -2.751 4.667 -0.871 185 HG1 THR 29 HG1 THR 29 -1.786 5.708 -2.446 186 HG21 THR 29 3HG2 THR 29 -3.818 6.356 0.216 187 HG22 THR 29 1HG2 THR 29 -2.356 7.332 0.364 188 HG23 THR 29 2HG2 THR 29 -2.629 5.979 1.462 189 H GLN 30 H GLN 30 -1.036 4.764 2.713 190 HA GLN 30 HA GLN 30 0.410 7.287 2.967 191 HB2 GLN 30 1HB GLN 30 -1.723 7.030 4.166 192 HB3 GLN 30 2HB GLN 30 -1.061 5.660 5.048 193 HG2 GLN 30 1HG GLN 30 0.709 7.234 5.916 194 HG3 GLN 30 2HG GLN 30 -0.256 8.545 5.239 195 HE21 GLN 30 1HE2 GLN 30 0.184 6.430 7.849 196 HE22 GLN 30 2HE2 GLN 30 -1.213 6.878 8.761 197 H HIS 31 H HIS 31 0.471 4.049 4.459 198 HA HIS 31 HA HIS 31 2.784 4.298 5.939 199 HB2 HIS 31 1HB HIS 31 1.702 2.310 6.359 200 HB3 HIS 31 2HB HIS 31 1.385 1.998 4.655 201 HD1 HIS 31 HD1 HIS 31 3.925 1.471 7.329 202 HD2 HIS 31 HD2 HIS 31 3.455 0.678 3.277 203 HE1 HIS 31 HE1 HIS 31 5.751 -0.157 6.746 204 H GLN 32 H GLN 32 2.445 3.422 2.525 205 HA GLN 32 HA GLN 32 4.919 2.635 1.799 206 HB2 GLN 32 1HB GLN 32 2.900 4.362 0.451 207 HB3 GLN 32 2HB GLN 32 4.490 4.223 -0.288 208 HG2 GLN 32 1HG GLN 32 2.770 1.867 0.439 209 HG3 GLN 32 2HG GLN 32 2.782 2.627 -1.151 210 HE21 GLN 32 1HE2 GLN 32 3.428 0.535 -1.931 211 HE22 GLN 32 2HE2 GLN 32 5.088 0.062 -1.847 212 H ARG 33 H ARG 33 4.054 5.770 2.982 213 HA ARG 33 HA ARG 33 6.068 7.390 2.034 214 HB2 ARG 33 1HB ARG 33 4.576 7.304 4.629 215 HB3 ARG 33 2HB ARG 33 5.894 8.449 4.424 216 HG2 ARG 33 1HG ARG 33 4.703 9.225 2.325 217 HG3 ARG 33 2HG ARG 33 3.321 8.283 2.890 218 HD2 ARG 33 1HD ARG 33 3.127 10.624 3.552 219 HD3 ARG 33 2HD ARG 33 3.277 9.572 4.959 220 HE ARG 33 HE ARG 33 5.279 10.574 5.459 221 HH11 ARG 33 1HH1 ARG 33 4.330 11.433 2.222 222 HH12 ARG 33 2HH1 ARG 33 5.572 12.627 2.035 223 HH21 ARG 33 1HH2 ARG 33 6.918 12.143 5.225 224 HH22 ARG 33 2HH2 ARG 33 7.044 13.029 3.744 225 H VAL 34 H VAL 34 6.176 5.194 4.820 226 HA VAL 34 HA VAL 34 8.601 5.741 5.917 227 HB VAL 34 HB VAL 34 8.783 3.424 6.594 228 HG11 VAL 34 1HG1 VAL 34 7.225 4.263 7.999 229 HG12 VAL 34 2HG1 VAL 34 6.192 4.834 6.687 230 HG13 VAL 34 3HG1 VAL 34 6.170 3.132 7.151 231 HG21 VAL 34 3HG2 VAL 34 8.361 2.308 4.505 232 HG22 VAL 34 1HG2 VAL 34 7.201 1.730 5.701 233 HG23 VAL 34 2HG2 VAL 34 6.699 2.897 4.478 234 H HIS 35 H HIS 35 7.998 4.003 2.912 235 HA HIS 35 HA HIS 35 10.855 3.568 2.512 236 HB2 HIS 35 1HB HIS 35 8.608 2.809 0.643 237 HB3 HIS 35 2HB HIS 35 10.248 2.167 0.672 238 HD1 HIS 35 HD1 HIS 35 10.710 1.149 3.359 239 HD2 HIS 35 HD2 HIS 35 6.940 0.942 1.627 240 HE1 HIS 35 HE1 HIS 35 9.500 -0.675 4.598 241 H SER 36 H SER 36 12.089 4.879 1.339 242 HA SER 36 HA SER 36 10.762 6.816 -0.443 243 HB2 SER 36 1HB SER 36 12.738 8.301 0.013 244 HB3 SER 36 2HB SER 36 11.726 7.995 1.424 245 HG SER 36 HG SER 36 14.297 7.048 0.830 246 H GLY 37 H GLY 37 11.030 6.146 -2.475 247 HA2 GLY 37 1HA GLY 37 13.761 5.550 -3.371 248 HA3 GLY 37 2HA GLY 37 12.491 4.387 -3.721 249 H GLU 38 H GLU 38 13.771 7.552 -4.440 250 HA GLU 38 HA GLU 38 11.726 8.256 -6.315 251 HB2 GLU 38 1HB GLU 38 13.399 9.785 -5.014 252 HB3 GLU 38 2HB GLU 38 14.480 9.441 -6.357 253 HG2 GLU 38 1HG GLU 38 11.707 10.475 -6.812 254 HG3 GLU 38 2HG GLU 38 13.052 11.559 -6.460 255 H LYS 39 H LYS 39 14.076 5.956 -6.422 256 HA LYS 39 HA LYS 39 14.332 6.150 -9.352 257 HB2 LYS 39 1HB LYS 39 16.355 4.601 -8.948 258 HB3 LYS 39 2HB LYS 39 16.522 6.307 -8.554 259 HG2 LYS 39 1HG LYS 39 16.553 5.925 -6.292 260 HG3 LYS 39 2HG LYS 39 15.659 4.409 -6.427 261 HD2 LYS 39 1HD LYS 39 17.587 3.281 -7.303 262 HD3 LYS 39 2HD LYS 39 18.483 4.798 -7.413 263 HE2 LYS 39 1HE LYS 39 17.437 3.689 -4.817 264 HE3 LYS 39 2HE LYS 39 19.041 3.313 -5.444 265 HZ1 LYS 39 3HZ LYS 39 19.246 5.878 -5.579 266 HZ2 LYS 39 1HZ LYS 39 19.460 5.101 -4.092 267 HZ3 LYS 39 2HZ LYS 39 17.995 5.871 -4.440 268 HA PRO 40 HA PRO 40 11.720 2.444 -8.509 269 HB2 PRO 40 1HB PRO 40 10.127 2.809 -10.677 270 HB3 PRO 40 2HB PRO 40 9.834 3.604 -9.126 271 HG2 PRO 40 1HG PRO 40 11.146 4.685 -11.590 272 HG3 PRO 40 2HG PRO 40 9.971 5.464 -10.515 273 HD2 PRO 40 1HD PRO 40 12.627 5.974 -10.384 274 HD3 PRO 40 2HD PRO 40 11.576 6.015 -8.955 275 H SER 41 H SER 41 12.913 3.619 -11.652 276 HA SER 41 HA SER 41 13.672 0.845 -12.298 277 HB2 SER 41 1HB SER 41 13.234 1.300 -14.641 278 HB3 SER 41 2HB SER 41 11.795 1.694 -13.703 279 HG SER 41 HG SER 41 13.078 3.262 -15.357 280 H GLY 42 H GLY 42 15.638 0.524 -13.382 281 HA2 GLY 42 1HA GLY 42 17.751 2.203 -12.621 282 HA3 GLY 42 2HA GLY 42 17.854 0.922 -13.819 283 HA PRO 43 HA PRO 43 18.680 4.881 -16.024 284 HB2 PRO 43 1HB PRO 43 20.657 3.856 -17.577 285 HB3 PRO 43 2HB PRO 43 20.942 4.483 -15.949 286 HG2 PRO 43 1HG PRO 43 20.605 1.650 -16.856 287 HG3 PRO 43 2HG PRO 43 21.772 2.324 -15.704 288 HD2 PRO 43 1HD PRO 43 19.529 1.028 -14.916 289 HD3 PRO 43 2HD PRO 43 20.241 2.359 -13.981 290 H SER 44 H SER 44 17.557 1.790 -16.818 291 HA SER 44 HA SER 44 17.479 1.661 -19.552 292 HB2 SER 44 1HB SER 44 15.489 0.289 -19.335 293 HB3 SER 44 2HB SER 44 16.581 -0.071 -17.998 294 HG SER 44 HG SER 44 15.168 1.767 -16.999 295 H SER 45 H SER 45 16.619 2.833 -21.135 296 HA SER 45 HA SER 45 14.430 4.691 -20.480 297 HB2 SER 45 1HB SER 45 16.935 5.208 -22.076 298 HB3 SER 45 2HB SER 45 15.493 6.206 -22.261 299 HG SER 45 HG SER 45 15.627 6.542 -19.941 300 H GLY 46 H GLY 46 13.574 5.618 -22.734 301 HA2 GLY 46 1HA GLY 46 13.073 5.040 -25.031 302 HA3 GLY 46 2HA GLY 46 13.302 3.351 -24.602 Start of MODEL 4 1 H1 GLY 1 H GLY 1 10.035 -21.279 -11.743 2 HA2 GLY 1 1HA GLY 1 9.915 -18.829 -12.210 3 HA3 GLY 1 2HA GLY 1 8.185 -19.070 -12.405 4 H SER 2 H SER 2 7.437 -17.801 -10.779 5 HA SER 2 HA SER 2 8.334 -18.476 -8.053 6 HB2 SER 2 1HB SER 2 8.797 -16.117 -8.886 7 HB3 SER 2 2HB SER 2 7.051 -15.868 -8.878 8 HG SER 2 HG SER 2 8.772 -16.380 -6.698 9 H SER 3 H SER 3 6.893 -19.795 -7.155 10 HA SER 3 HA SER 3 4.363 -20.405 -7.854 11 HB2 SER 3 1HB SER 3 4.009 -21.263 -5.675 12 HB3 SER 3 2HB SER 3 5.753 -21.350 -5.921 13 HG SER 3 HG SER 3 4.262 -19.620 -4.292 14 H GLY 4 H GLY 4 2.248 -19.767 -7.216 15 HA2 GLY 4 1HA GLY 4 1.708 -17.045 -7.419 16 HA3 GLY 4 2HA GLY 4 0.575 -18.247 -6.819 17 H SER 5 H SER 5 1.085 -18.970 -4.485 18 HA SER 5 HA SER 5 0.778 -18.238 -2.322 19 HB2 SER 5 1HB SER 5 2.868 -17.438 -1.330 20 HB3 SER 5 2HB SER 5 3.194 -18.734 -2.480 21 HG SER 5 HG SER 5 4.037 -16.159 -2.504 22 H SER 6 H SER 6 -0.579 -16.535 -4.030 23 HA SER 6 HA SER 6 0.075 -13.804 -3.677 24 HB2 SER 6 1HB SER 6 -2.242 -13.377 -4.455 25 HB3 SER 6 2HB SER 6 -1.390 -14.526 -5.488 26 HG SER 6 HG SER 6 -3.699 -14.882 -4.339 27 H GLY 7 H GLY 7 -2.394 -15.844 -2.102 28 HA2 GLY 7 1HA GLY 7 -2.472 -15.662 0.376 29 HA3 GLY 7 2HA GLY 7 -2.369 -13.923 0.145 30 H THR 8 H THR 8 -4.425 -15.774 1.383 31 HA THR 8 HA THR 8 -6.748 -14.810 -0.156 32 HB THR 8 HB THR 8 -8.034 -16.697 0.741 33 HG1 THR 8 HG1 THR 8 -5.643 -17.128 2.137 34 HG21 THR 8 3HG2 THR 8 -7.300 -18.221 -0.807 35 HG22 THR 8 1HG2 THR 8 -5.603 -18.002 -0.382 36 HG23 THR 8 2HG2 THR 8 -6.431 -16.791 -1.361 37 H GLY 9 H GLY 9 -8.273 -13.641 0.888 38 HA2 GLY 9 1HA GLY 9 -9.371 -13.487 3.215 39 HA3 GLY 9 2HA GLY 9 -7.748 -13.042 3.722 40 H GLU 10 H GLU 10 -8.726 -11.059 4.486 41 HA GLU 10 HA GLU 10 -9.586 -9.197 2.401 42 HB2 GLU 10 1HB GLU 10 -10.236 -7.731 4.277 43 HB3 GLU 10 2HB GLU 10 -11.001 -9.311 4.368 44 HG2 GLU 10 1HG GLU 10 -9.593 -10.004 6.125 45 HG3 GLU 10 2HG GLU 10 -8.499 -8.644 5.884 46 H LYS 11 H LYS 11 -6.905 -9.889 2.272 47 HA LYS 11 HA LYS 11 -5.608 -7.379 3.105 48 HB2 LYS 11 1HB LYS 11 -3.470 -8.734 3.198 49 HB3 LYS 11 2HB LYS 11 -4.638 -9.056 4.473 50 HG2 LYS 11 1HG LYS 11 -5.411 -11.036 3.206 51 HG3 LYS 11 2HG LYS 11 -4.135 -10.734 2.024 52 HD2 LYS 11 1HD LYS 11 -3.380 -10.918 4.897 53 HD3 LYS 11 2HD LYS 11 -3.790 -12.408 4.044 54 HE2 LYS 11 1HE LYS 11 -2.066 -12.065 2.446 55 HE3 LYS 11 2HE LYS 11 -1.790 -10.414 3.000 56 HZ1 LYS 11 3HZ LYS 11 -1.401 -11.892 5.236 57 HZ2 LYS 11 1HZ LYS 11 -0.177 -11.307 4.226 58 HZ3 LYS 11 2HZ LYS 11 -0.752 -12.885 4.030 59 HA PRO 12 HA PRO 12 -5.341 -8.295 -1.546 60 HB2 PRO 12 1HB PRO 12 -6.959 -6.288 -2.397 61 HB3 PRO 12 2HB PRO 12 -7.555 -7.910 -2.024 62 HG2 PRO 12 1HG PRO 12 -7.622 -5.433 -0.344 63 HG3 PRO 12 2HG PRO 12 -8.889 -6.649 -0.596 64 HD2 PRO 12 1HD PRO 12 -7.329 -6.609 1.617 65 HD3 PRO 12 2HD PRO 12 -7.959 -8.115 0.920 66 H TYR 13 H TYR 13 -4.515 -6.020 0.702 67 HA TYR 13 HA TYR 13 -3.068 -4.398 -1.289 68 HB2 TYR 13 1HB TYR 13 -3.983 -3.505 1.451 69 HB3 TYR 13 2HB TYR 13 -3.180 -2.513 0.239 70 HD1 TYR 13 HD2 TYR 13 -4.546 -2.957 -2.206 71 HD2 TYR 13 HD1 TYR 13 -6.172 -2.843 1.724 72 HE1 TYR 13 HE2 TYR 13 -6.731 -2.316 -3.135 73 HE2 TYR 13 HE1 TYR 13 -8.362 -2.202 0.806 74 HH TYR 13 HH TYR 13 -9.042 -0.922 -1.607 75 H GLU 14 H GLU 14 -0.941 -4.636 -1.243 76 HA GLU 14 HA GLU 14 0.371 -5.245 1.314 77 HB2 GLU 14 1HB GLU 14 0.469 -6.801 -1.219 78 HB3 GLU 14 2HB GLU 14 1.968 -6.635 -0.315 79 HG2 GLU 14 1HG GLU 14 1.183 -8.548 0.613 80 HG3 GLU 14 2HG GLU 14 0.430 -7.377 1.694 81 H CYS 15 H CYS 15 2.655 -4.708 1.364 82 HA CYS 15 HA CYS 15 3.205 -2.340 -0.256 83 HB2 CYS 15 1HB CYS 15 3.391 -2.323 2.271 84 HB3 CYS 15 2HB CYS 15 4.799 -3.367 2.094 85 H ASP 16 H ASP 16 4.781 -2.226 -1.745 86 HA ASP 16 HA ASP 16 6.160 -4.682 -2.447 87 HB2 ASP 16 1HB ASP 16 5.011 -2.985 -4.065 88 HB3 ASP 16 2HB ASP 16 6.514 -2.082 -3.901 89 H VAL 17 H VAL 17 6.876 -3.085 -0.027 90 HA VAL 17 HA VAL 17 9.739 -2.792 -0.638 91 HB VAL 17 HB VAL 17 8.133 -0.968 1.158 92 HG11 VAL 17 1HG1 VAL 17 10.402 -1.445 2.004 93 HG12 VAL 17 2HG1 VAL 17 11.070 -0.875 0.473 94 HG13 VAL 17 3HG1 VAL 17 10.196 0.239 1.525 95 HG21 VAL 17 3HG2 VAL 17 8.702 -0.875 -1.641 96 HG22 VAL 17 1HG2 VAL 17 7.793 0.270 -0.654 97 HG23 VAL 17 2HG2 VAL 17 9.537 0.453 -0.835 98 H CYS 18 H CYS 18 7.347 -3.101 1.980 99 HA CYS 18 HA CYS 18 9.324 -4.682 3.487 100 HB2 CYS 18 1HB CYS 18 8.071 -4.074 5.510 101 HB3 CYS 18 2HB CYS 18 8.629 -2.642 4.651 102 H ARG 19 H ARG 19 6.617 -4.965 1.610 103 HA ARG 19 HA ARG 19 5.111 -6.624 1.220 104 HB2 ARG 19 1HB ARG 19 7.063 -8.211 2.897 105 HB3 ARG 19 2HB ARG 19 5.736 -8.914 1.980 106 HG2 ARG 19 1HG ARG 19 7.869 -7.244 0.687 107 HG3 ARG 19 2HG ARG 19 8.035 -8.986 0.920 108 HD2 ARG 19 1HD ARG 19 5.659 -9.019 -0.218 109 HD3 ARG 19 2HD ARG 19 6.195 -7.468 -0.862 110 HE ARG 19 HE ARG 19 8.273 -9.048 -1.447 111 HH11 ARG 19 1HH1 ARG 19 4.847 -9.474 -1.896 112 HH12 ARG 19 2HH1 ARG 19 5.024 -10.460 -3.310 113 HH21 ARG 19 1HH2 ARG 19 8.518 -10.345 -3.307 114 HH22 ARG 19 2HH2 ARG 19 7.112 -10.956 -4.111 115 H LYS 20 H LYS 20 4.295 -4.902 3.130 116 HA LYS 20 HA LYS 20 3.196 -6.572 5.287 117 HB2 LYS 20 1HB LYS 20 4.517 -4.529 5.910 118 HB3 LYS 20 2HB LYS 20 3.270 -3.555 5.140 119 HG2 LYS 20 1HG LYS 20 1.659 -4.164 6.741 120 HG3 LYS 20 2HG LYS 20 2.656 -5.485 7.356 121 HD2 LYS 20 1HD LYS 20 4.178 -3.987 8.374 122 HD3 LYS 20 2HD LYS 20 3.511 -2.603 7.504 123 HE2 LYS 20 1HE LYS 20 1.939 -4.231 9.491 124 HE3 LYS 20 2HE LYS 20 2.852 -2.788 9.928 125 HZ1 LYS 20 3HZ LYS 20 1.501 -1.483 8.459 126 HZ2 LYS 20 1HZ LYS 20 0.483 -2.349 9.497 127 HZ3 LYS 20 2HZ LYS 20 0.687 -2.855 7.897 128 H ALA 21 H ALA 21 1.043 -6.864 5.499 129 HA ALA 21 HA ALA 21 -0.650 -5.857 3.342 130 HB1 ALA 21 3HB ALA 21 -2.295 -7.502 4.616 131 HB2 ALA 21 1HB ALA 21 -1.086 -8.086 3.473 132 HB3 ALA 21 2HB ALA 21 -0.770 -8.161 5.207 133 H PHE 22 H PHE 22 -2.384 -4.540 3.636 134 HA PHE 22 HA PHE 22 -2.925 -3.621 6.382 135 HB2 PHE 22 1HB PHE 22 -2.931 -1.912 3.885 136 HB3 PHE 22 2HB PHE 22 -3.280 -1.362 5.521 137 HD1 PHE 22 HD1 PHE 22 -0.598 -2.996 3.523 138 HD2 PHE 22 HD2 PHE 22 -1.583 -0.469 6.803 139 HE1 PHE 22 HE1 PHE 22 1.791 -2.511 3.863 140 HE2 PHE 22 HE2 PHE 22 0.803 0.021 7.147 141 HZ PHE 22 HZ PHE 22 2.494 -1.000 5.676 142 H SER 23 H SER 23 -5.058 -3.097 6.888 143 HA SER 23 HA SER 23 -7.045 -4.626 5.603 144 HB2 SER 23 1HB SER 23 -7.152 -2.451 7.687 145 HB3 SER 23 2HB SER 23 -8.618 -3.215 7.072 146 HG SER 23 HG SER 23 -6.602 -4.259 8.686 147 H HIS 24 H HIS 24 -6.421 -1.128 5.616 148 HA HIS 24 HA HIS 24 -8.204 -0.888 3.282 149 HB2 HIS 24 1HB HIS 24 -8.764 0.349 5.495 150 HB3 HIS 24 2HB HIS 24 -7.451 1.431 5.040 151 HD1 HIS 24 HD1 HIS 24 -8.466 3.486 4.126 152 HD2 HIS 24 HD2 HIS 24 -10.470 0.078 2.847 153 HE1 HIS 24 HE1 HIS 24 -10.245 4.304 2.549 154 H HIS 25 H HIS 25 -7.533 0.358 1.527 155 HA HIS 25 HA HIS 25 -4.871 0.207 0.786 156 HB2 HIS 25 1HB HIS 25 -6.941 0.647 -0.670 157 HB3 HIS 25 2HB HIS 25 -6.716 2.345 -0.262 158 HD1 HIS 25 HD1 HIS 25 -5.743 3.414 -2.267 159 HD2 HIS 25 HD2 HIS 25 -4.000 -0.275 -1.481 160 HE1 HIS 25 HE1 HIS 25 -3.906 3.163 -3.966 161 H ALA 26 H ALA 26 -6.616 3.171 1.744 162 HA ALA 26 HA ALA 26 -4.749 5.067 1.724 163 HB1 ALA 26 3HB ALA 26 -6.839 4.455 3.758 164 HB2 ALA 26 1HB ALA 26 -5.707 5.774 4.060 165 HB3 ALA 26 2HB ALA 26 -6.729 5.800 2.622 166 H SER 27 H SER 27 -5.035 2.762 4.431 167 HA SER 27 HA SER 27 -2.928 3.586 5.980 168 HB2 SER 27 1HB SER 27 -4.639 1.574 6.219 169 HB3 SER 27 2HB SER 27 -3.279 0.644 5.590 170 HG SER 27 HG SER 27 -2.962 0.640 7.739 171 H LEU 28 H LEU 28 -2.820 1.432 3.169 172 HA LEU 28 HA LEU 28 0.013 1.028 3.343 173 HB2 LEU 28 1HB LEU 28 -1.131 -0.728 2.331 174 HB3 LEU 28 2HB LEU 28 -2.104 0.355 1.337 175 HG LEU 28 HG LEU 28 -0.049 0.869 0.015 176 HD11 LEU 28 1HD1 LEU 28 1.891 -0.532 0.226 177 HD12 LEU 28 2HD1 LEU 28 1.132 -1.460 1.519 178 HD13 LEU 28 3HD1 LEU 28 1.564 0.229 1.783 179 HD21 LEU 28 3HD2 LEU 28 -1.230 -1.874 0.176 180 HD22 LEU 28 1HD2 LEU 28 0.058 -1.527 -0.977 181 HD23 LEU 28 2HD2 LEU 28 -1.456 -0.625 -1.050 182 H THR 29 H THR 29 -2.135 3.027 1.362 183 HA THR 29 HA THR 29 -0.279 4.074 -0.416 184 HB THR 29 HB THR 29 -2.818 5.201 0.731 185 HG1 THR 29 HG1 THR 29 -3.241 3.739 -0.835 186 HG21 THR 29 3HG2 THR 29 -2.033 7.262 0.273 187 HG22 THR 29 1HG2 THR 29 -2.308 6.810 -1.408 188 HG23 THR 29 2HG2 THR 29 -0.700 6.645 -0.702 189 H GLN 30 H GLN 30 -1.254 5.335 2.765 190 HA GLN 30 HA GLN 30 0.607 7.502 2.685 191 HB2 GLN 30 1HB GLN 30 -1.336 7.817 4.015 192 HB3 GLN 30 2HB GLN 30 -1.079 6.307 4.878 193 HG2 GLN 30 1HG GLN 30 0.960 7.276 5.883 194 HG3 GLN 30 2HG GLN 30 0.587 8.804 5.087 195 HE21 GLN 30 1HE2 GLN 30 0.666 7.705 7.970 196 HE22 GLN 30 2HE2 GLN 30 -0.786 8.331 8.664 197 H HIS 31 H HIS 31 0.513 4.377 4.369 198 HA HIS 31 HA HIS 31 2.799 4.545 5.880 199 HB2 HIS 31 1HB HIS 31 1.656 2.583 6.259 200 HB3 HIS 31 2HB HIS 31 1.376 2.290 4.545 201 HD1 HIS 31 HD1 HIS 31 3.884 1.744 7.262 202 HD2 HIS 31 HD2 HIS 31 3.392 0.861 3.232 203 HE1 HIS 31 HE1 HIS 31 5.668 0.057 6.721 204 H GLN 32 H GLN 32 2.521 3.763 2.445 205 HA GLN 32 HA GLN 32 5.021 2.910 1.804 206 HB2 GLN 32 1HB GLN 32 3.106 4.702 0.352 207 HB3 GLN 32 2HB GLN 32 4.680 4.349 -0.348 208 HG2 GLN 32 1HG GLN 32 3.942 1.863 0.188 209 HG3 GLN 32 2HG GLN 32 2.338 2.581 0.057 210 HE21 GLN 32 1HE2 GLN 32 2.712 0.764 -1.722 211 HE22 GLN 32 2HE2 GLN 32 3.098 1.400 -3.281 212 H ARG 33 H ARG 33 4.094 6.110 2.809 213 HA ARG 33 HA ARG 33 6.250 7.612 1.910 214 HB2 ARG 33 1HB ARG 33 4.600 7.853 4.425 215 HB3 ARG 33 2HB ARG 33 5.796 9.048 3.945 216 HG2 ARG 33 1HG ARG 33 4.477 9.128 1.723 217 HG3 ARG 33 2HG ARG 33 3.189 8.366 2.658 218 HD2 ARG 33 1HD ARG 33 4.564 10.964 3.336 219 HD3 ARG 33 2HD ARG 33 2.962 10.805 2.616 220 HE ARG 33 HE ARG 33 3.060 9.346 5.021 221 HH11 ARG 33 1HH1 ARG 33 3.026 12.625 3.850 222 HH12 ARG 33 2HH1 ARG 33 2.269 13.263 5.272 223 HH21 ARG 33 1HH2 ARG 33 2.062 10.174 6.898 224 HH22 ARG 33 2HH2 ARG 33 1.722 11.868 7.005 225 H VAL 34 H VAL 34 5.920 5.758 4.922 226 HA VAL 34 HA VAL 34 8.172 6.356 6.284 227 HB VAL 34 HB VAL 34 8.250 4.066 7.125 228 HG11 VAL 34 1HG1 VAL 34 5.724 5.563 6.863 229 HG12 VAL 34 2HG1 VAL 34 5.581 3.895 7.420 230 HG13 VAL 34 3HG1 VAL 34 6.590 5.039 8.306 231 HG21 VAL 34 3HG2 VAL 34 7.782 2.350 5.796 232 HG22 VAL 34 1HG2 VAL 34 6.091 2.850 5.767 233 HG23 VAL 34 2HG2 VAL 34 7.208 3.450 4.542 234 H HIS 35 H HIS 35 8.005 4.665 3.247 235 HA HIS 35 HA HIS 35 10.867 4.051 3.343 236 HB2 HIS 35 1HB HIS 35 8.959 3.324 1.125 237 HB3 HIS 35 2HB HIS 35 10.512 2.588 1.508 238 HD1 HIS 35 HD1 HIS 35 10.286 1.786 4.349 239 HD2 HIS 35 HD2 HIS 35 7.075 1.494 1.728 240 HE1 HIS 35 HE1 HIS 35 8.750 0.068 5.357 241 H SER 36 H SER 36 11.384 6.359 3.224 242 HA SER 36 HA SER 36 10.783 7.763 0.774 243 HB2 SER 36 1HB SER 36 11.190 8.705 3.216 244 HB3 SER 36 2HB SER 36 12.871 8.726 2.684 245 HG SER 36 HG SER 36 11.436 10.656 2.280 246 H GLY 37 H GLY 37 13.921 7.151 2.356 247 HA2 GLY 37 1HA GLY 37 16.019 7.023 1.359 248 HA3 GLY 37 2HA GLY 37 15.259 5.625 0.613 249 H GLU 38 H GLU 38 15.934 9.063 0.209 250 HA GLU 38 HA GLU 38 15.277 8.892 -2.632 251 HB2 GLU 38 1HB GLU 38 15.680 11.104 -0.685 252 HB3 GLU 38 2HB GLU 38 16.074 11.428 -2.367 253 HG2 GLU 38 1HG GLU 38 13.884 12.098 -2.257 254 HG3 GLU 38 2HG GLU 38 13.724 10.444 -2.843 255 H LYS 39 H LYS 39 17.515 7.399 -1.733 256 HA LYS 39 HA LYS 39 19.489 8.358 -3.570 257 HB2 LYS 39 1HB LYS 39 19.882 8.684 -0.637 258 HB3 LYS 39 2HB LYS 39 21.261 8.145 -1.586 259 HG2 LYS 39 1HG LYS 39 20.770 10.150 -3.097 260 HG3 LYS 39 2HG LYS 39 19.750 10.725 -1.776 261 HD2 LYS 39 1HD LYS 39 22.564 9.873 -1.227 262 HD3 LYS 39 2HD LYS 39 22.245 11.469 -1.911 263 HE2 LYS 39 1HE LYS 39 20.930 10.428 0.592 264 HE3 LYS 39 2HE LYS 39 22.408 11.389 0.594 265 HZ1 LYS 39 3HZ LYS 39 21.058 13.070 -0.728 266 HZ2 LYS 39 1HZ LYS 39 20.701 12.920 0.919 267 HZ3 LYS 39 2HZ LYS 39 19.691 12.205 -0.233 268 HA PRO 40 HA PRO 40 20.163 4.016 -3.830 269 HB2 PRO 40 1HB PRO 40 22.576 4.024 -5.074 270 HB3 PRO 40 2HB PRO 40 21.068 4.431 -5.901 271 HG2 PRO 40 1HG PRO 40 23.158 6.250 -4.768 272 HG3 PRO 40 2HG PRO 40 22.290 6.366 -6.310 273 HD2 PRO 40 1HD PRO 40 21.610 7.838 -4.141 274 HD3 PRO 40 2HD PRO 40 20.415 7.281 -5.329 275 H SER 41 H SER 41 20.438 3.265 -1.752 276 HA SER 41 HA SER 41 23.210 3.242 -0.753 277 HB2 SER 41 1HB SER 41 20.733 3.291 0.984 278 HB3 SER 41 2HB SER 41 22.411 3.400 1.518 279 HG SER 41 HG SER 41 21.233 5.288 -0.233 280 H GLY 42 H GLY 42 20.059 1.607 -0.372 281 HA2 GLY 42 1HA GLY 42 21.437 -0.891 0.246 282 HA3 GLY 42 2HA GLY 42 19.707 -0.601 0.358 283 HA PRO 43 HA PRO 43 19.161 -2.794 -3.401 284 HB2 PRO 43 1HB PRO 43 16.855 -1.667 -4.286 285 HB3 PRO 43 2HB PRO 43 16.914 -2.789 -2.921 286 HG2 PRO 43 1HG PRO 43 16.790 0.202 -2.911 287 HG3 PRO 43 2HG PRO 43 15.910 -0.957 -1.898 288 HD2 PRO 43 1HD PRO 43 18.101 0.372 -1.024 289 HD3 PRO 43 2HD PRO 43 17.702 -1.271 -0.482 290 H SER 44 H SER 44 19.925 -2.619 -5.422 291 HA SER 44 HA SER 44 20.568 0.046 -6.429 292 HB2 SER 44 1HB SER 44 22.334 -1.710 -6.358 293 HB3 SER 44 2HB SER 44 21.398 -2.656 -7.515 294 HG SER 44 HG SER 44 22.252 -0.002 -8.017 295 H SER 45 H SER 45 19.293 -2.984 -7.820 296 HA SER 45 HA SER 45 18.291 -1.807 -10.163 297 HB2 SER 45 1HB SER 45 17.598 -4.370 -8.729 298 HB3 SER 45 2HB SER 45 16.848 -3.914 -10.258 299 HG SER 45 HG SER 45 18.550 -4.929 -11.015 300 H GLY 46 H GLY 46 16.729 -2.535 -7.063 301 HA2 GLY 46 1HA GLY 46 14.686 -1.910 -6.209 302 HA3 GLY 46 2HA GLY 46 15.035 -0.375 -6.989 Start of MODEL 5 1 H1 GLY 1 H GLY 1 5.469 -33.302 7.544 2 HA2 GLY 1 1HA GLY 1 7.517 -35.212 6.924 3 HA3 GLY 1 2HA GLY 1 6.553 -34.791 5.517 4 H SER 2 H SER 2 6.110 -32.163 5.727 5 HA SER 2 HA SER 2 8.603 -30.795 6.324 6 HB2 SER 2 1HB SER 2 7.488 -31.027 3.525 7 HB3 SER 2 2HB SER 2 8.644 -29.782 4.001 8 HG SER 2 HG SER 2 9.297 -32.399 4.661 9 H SER 3 H SER 3 8.411 -28.462 6.199 10 HA SER 3 HA SER 3 5.723 -27.603 6.909 11 HB2 SER 3 1HB SER 3 6.719 -25.723 7.917 12 HB3 SER 3 2HB SER 3 7.877 -27.021 8.209 13 HG SER 3 HG SER 3 8.993 -25.247 7.446 14 H GLY 4 H GLY 4 4.917 -25.497 6.092 15 HA2 GLY 4 1HA GLY 4 5.805 -24.100 3.911 16 HA3 GLY 4 2HA GLY 4 4.979 -25.490 3.224 17 H SER 5 H SER 5 4.134 -22.893 2.741 18 HA SER 5 HA SER 5 1.420 -23.054 3.705 19 HB2 SER 5 1HB SER 5 2.839 -21.716 5.425 20 HB3 SER 5 2HB SER 5 2.818 -20.440 4.208 21 HG SER 5 HG SER 5 0.460 -20.727 4.246 22 H SER 6 H SER 6 -0.006 -22.191 2.283 23 HA SER 6 HA SER 6 0.696 -21.714 -0.338 24 HB2 SER 6 1HB SER 6 -1.551 -20.901 -0.678 25 HB3 SER 6 2HB SER 6 -1.614 -22.203 0.510 26 HG SER 6 HG SER 6 -1.595 -19.424 1.096 27 H GLY 7 H GLY 7 0.153 -19.342 2.246 28 HA2 GLY 7 1HA GLY 7 1.982 -17.503 1.881 29 HA3 GLY 7 2HA GLY 7 1.012 -17.193 0.448 30 H THR 8 H THR 8 1.434 -16.515 3.723 31 HA THR 8 HA THR 8 -1.269 -15.801 4.353 32 HB THR 8 HB THR 8 1.294 -14.988 5.740 33 HG1 THR 8 HG1 THR 8 1.059 -17.217 5.828 34 HG21 THR 8 3HG2 THR 8 -1.558 -14.964 6.735 35 HG22 THR 8 1HG2 THR 8 -0.626 -13.539 6.277 36 HG23 THR 8 2HG2 THR 8 -0.127 -14.512 7.660 37 H GLY 9 H GLY 9 -1.820 -14.433 2.572 38 HA2 GLY 9 1HA GLY 9 -1.530 -11.679 3.121 39 HA3 GLY 9 2HA GLY 9 -0.444 -12.122 1.813 40 H GLU 10 H GLU 10 -3.839 -12.235 2.823 41 HA GLU 10 HA GLU 10 -4.631 -12.403 0.002 42 HB2 GLU 10 1HB GLU 10 -5.564 -14.042 1.677 43 HB3 GLU 10 2HB GLU 10 -6.399 -12.692 2.432 44 HG2 GLU 10 1HG GLU 10 -8.020 -13.600 1.068 45 HG3 GLU 10 2HG GLU 10 -7.385 -12.278 0.090 46 H LYS 11 H LYS 11 -4.673 -10.336 2.785 47 HA LYS 11 HA LYS 11 -6.655 -8.571 2.504 48 HB2 LYS 11 1HB LYS 11 -3.742 -8.118 3.032 49 HB3 LYS 11 2HB LYS 11 -4.825 -6.737 2.910 50 HG2 LYS 11 1HG LYS 11 -4.938 -7.092 5.146 51 HG3 LYS 11 2HG LYS 11 -6.244 -8.162 4.630 52 HD2 LYS 11 1HD LYS 11 -4.702 -10.062 4.669 53 HD3 LYS 11 2HD LYS 11 -3.393 -8.992 5.175 54 HE2 LYS 11 1HE LYS 11 -4.266 -10.142 7.103 55 HE3 LYS 11 2HE LYS 11 -4.690 -8.434 7.207 56 HZ1 LYS 11 3HZ LYS 11 -6.567 -10.409 6.066 57 HZ2 LYS 11 1HZ LYS 11 -6.900 -8.873 6.695 58 HZ3 LYS 11 2HZ LYS 11 -6.486 -10.142 7.735 59 HA PRO 12 HA PRO 12 -6.670 -6.909 -1.570 60 HB2 PRO 12 1HB PRO 12 -7.977 -4.578 -1.090 61 HB3 PRO 12 2HB PRO 12 -8.786 -6.150 -1.094 62 HG2 PRO 12 1HG PRO 12 -7.821 -4.521 1.225 63 HG3 PRO 12 2HG PRO 12 -9.343 -5.412 1.040 64 HD2 PRO 12 1HD PRO 12 -7.249 -6.385 2.453 65 HD3 PRO 12 2HD PRO 12 -8.369 -7.434 1.562 66 H TYR 13 H TYR 13 -5.137 -5.327 1.075 67 HA TYR 13 HA TYR 13 -3.546 -3.734 -0.818 68 HB2 TYR 13 1HB TYR 13 -4.303 -2.764 1.938 69 HB3 TYR 13 2HB TYR 13 -3.522 -1.852 0.651 70 HD1 TYR 13 HD2 TYR 13 -4.837 -1.189 -1.359 71 HD2 TYR 13 HD1 TYR 13 -6.671 -2.973 2.041 72 HE1 TYR 13 HE2 TYR 13 -7.033 -0.396 -2.133 73 HE2 TYR 13 HE1 TYR 13 -8.871 -2.185 1.275 74 HH TYR 13 HH TYR 13 -9.898 -0.692 -0.153 75 H GLU 14 H GLU 14 -1.407 -3.955 -0.609 76 HA GLU 14 HA GLU 14 -0.213 -4.702 1.921 77 HB2 GLU 14 1HB GLU 14 -0.906 -6.863 0.861 78 HB3 GLU 14 2HB GLU 14 0.161 -6.490 -0.485 79 HG2 GLU 14 1HG GLU 14 2.086 -6.655 0.864 80 HG3 GLU 14 2HG GLU 14 1.136 -6.654 2.348 81 H CYS 15 H CYS 15 2.005 -4.292 2.024 82 HA CYS 15 HA CYS 15 2.944 -2.291 0.218 83 HB2 CYS 15 1HB CYS 15 3.450 -2.656 2.769 84 HB3 CYS 15 2HB CYS 15 4.748 -3.681 2.164 85 H ASP 16 H ASP 16 5.334 -2.504 -0.556 86 HA ASP 16 HA ASP 16 5.563 -5.075 -1.979 87 HB2 ASP 16 1HB ASP 16 6.518 -3.939 -3.830 88 HB3 ASP 16 2HB ASP 16 5.123 -2.977 -3.347 89 H VAL 17 H VAL 17 7.209 -2.680 -0.054 90 HA VAL 17 HA VAL 17 9.808 -3.908 -0.367 91 HB VAL 17 HB VAL 17 8.868 -1.721 1.493 92 HG11 VAL 17 1HG1 VAL 17 10.815 -1.819 2.557 93 HG12 VAL 17 2HG1 VAL 17 11.163 -3.318 1.695 94 HG13 VAL 17 3HG1 VAL 17 11.701 -1.774 1.034 95 HG21 VAL 17 3HG2 VAL 17 8.836 -0.665 -0.521 96 HG22 VAL 17 1HG2 VAL 17 10.556 -0.501 -0.167 97 HG23 VAL 17 2HG2 VAL 17 9.995 -1.776 -1.248 98 H CYS 18 H CYS 18 7.481 -3.497 2.300 99 HA CYS 18 HA CYS 18 8.824 -5.706 3.708 100 HB2 CYS 18 1HB CYS 18 7.817 -4.826 5.760 101 HB3 CYS 18 2HB CYS 18 8.768 -3.585 4.950 102 H ARG 19 H ARG 19 6.323 -5.236 1.707 103 HA ARG 19 HA ARG 19 4.249 -6.163 1.387 104 HB2 ARG 19 1HB ARG 19 6.101 -8.330 2.238 105 HB3 ARG 19 2HB ARG 19 4.392 -8.727 2.126 106 HG2 ARG 19 1HG ARG 19 5.055 -9.263 0.019 107 HG3 ARG 19 2HG ARG 19 4.626 -7.569 -0.228 108 HD2 ARG 19 1HD ARG 19 6.711 -7.788 -1.260 109 HD3 ARG 19 2HD ARG 19 7.078 -7.065 0.306 110 HE ARG 19 HE ARG 19 7.390 -9.661 0.837 111 HH11 ARG 19 1HH1 ARG 19 8.528 -7.714 -1.815 112 HH12 ARG 19 2HH1 ARG 19 9.957 -8.660 -2.068 113 HH21 ARG 19 1HH2 ARG 19 9.268 -10.915 0.514 114 HH22 ARG 19 2HH2 ARG 19 10.376 -10.481 -0.743 115 H LYS 20 H LYS 20 4.230 -4.696 3.716 116 HA LYS 20 HA LYS 20 3.131 -6.276 5.866 117 HB2 LYS 20 1HB LYS 20 4.501 -4.212 6.231 118 HB3 LYS 20 2HB LYS 20 3.173 -3.269 5.567 119 HG2 LYS 20 1HG LYS 20 1.719 -4.026 7.368 120 HG3 LYS 20 2HG LYS 20 3.035 -5.000 8.028 121 HD2 LYS 20 1HD LYS 20 3.149 -2.007 7.669 122 HD3 LYS 20 2HD LYS 20 2.711 -2.811 9.178 123 HE2 LYS 20 1HE LYS 20 5.325 -3.144 7.708 124 HE3 LYS 20 2HE LYS 20 5.075 -2.131 9.129 125 HZ1 LYS 20 3HZ LYS 20 4.713 -5.078 9.027 126 HZ2 LYS 20 1HZ LYS 20 4.485 -4.102 10.390 127 HZ3 LYS 20 2HZ LYS 20 6.028 -4.270 9.720 128 H ALA 21 H ALA 21 1.009 -6.363 6.531 129 HA ALA 21 HA ALA 21 -0.964 -5.775 4.483 130 HB1 ALA 21 3HB ALA 21 -1.151 -7.243 7.107 131 HB2 ALA 21 1HB ALA 21 -2.513 -6.999 6.013 132 HB3 ALA 21 2HB ALA 21 -1.115 -7.937 5.486 133 H PHE 22 H PHE 22 -2.645 -4.349 4.664 134 HA PHE 22 HA PHE 22 -2.791 -2.717 7.103 135 HB2 PHE 22 1HB PHE 22 -2.832 -1.624 4.282 136 HB3 PHE 22 2HB PHE 22 -3.024 -0.684 5.757 137 HD1 PHE 22 HD1 PHE 22 -0.650 -2.727 3.804 138 HD2 PHE 22 HD2 PHE 22 -1.154 0.050 6.990 139 HE1 PHE 22 HE1 PHE 22 1.788 -2.412 3.911 140 HE2 PHE 22 HE2 PHE 22 1.282 0.370 7.102 141 HZ PHE 22 HZ PHE 22 2.757 -0.861 5.561 142 H SER 23 H SER 23 -4.346 -3.961 4.221 143 HA SER 23 HA SER 23 -6.526 -4.321 3.679 144 HB2 SER 23 1HB SER 23 -6.561 -4.362 6.667 145 HB3 SER 23 2HB SER 23 -8.102 -4.349 5.810 146 HG SER 23 HG SER 23 -7.768 -6.334 5.181 147 H HIS 24 H HIS 24 -5.481 -1.607 3.709 148 HA HIS 24 HA HIS 24 -7.943 -0.211 3.336 149 HB2 HIS 24 1HB HIS 24 -7.300 -0.157 5.907 150 HB3 HIS 24 2HB HIS 24 -6.223 1.130 5.375 151 HD1 HIS 24 HD1 HIS 24 -8.093 2.470 3.299 152 HD2 HIS 24 HD2 HIS 24 -9.244 1.323 7.123 153 HE1 HIS 24 HE1 HIS 24 -10.087 3.897 3.857 154 H HIS 25 H HIS 25 -7.474 0.680 1.437 155 HA HIS 25 HA HIS 25 -5.067 1.188 0.289 156 HB2 HIS 25 1HB HIS 25 -6.167 2.662 -1.233 157 HB3 HIS 25 2HB HIS 25 -7.347 1.439 -0.770 158 HD1 HIS 25 HD1 HIS 25 -8.969 2.296 1.319 159 HD2 HIS 25 HD2 HIS 25 -7.128 5.178 -1.041 160 HE1 HIS 25 HE1 HIS 25 -10.280 4.410 1.693 161 H ALA 26 H ALA 26 -6.881 3.418 2.368 162 HA ALA 26 HA ALA 26 -5.083 5.577 2.191 163 HB1 ALA 26 3HB ALA 26 -6.164 6.150 4.492 164 HB2 ALA 26 1HB ALA 26 -7.141 6.189 3.024 165 HB3 ALA 26 2HB ALA 26 -7.234 4.802 4.110 166 H SER 27 H SER 27 -5.127 2.701 4.180 167 HA SER 27 HA SER 27 -3.156 3.597 6.044 168 HB2 SER 27 1HB SER 27 -4.240 0.859 5.369 169 HB3 SER 27 2HB SER 27 -3.027 1.129 6.620 170 HG SER 27 HG SER 27 -5.405 2.623 6.639 171 H LEU 28 H LEU 28 -3.093 1.978 2.953 172 HA LEU 28 HA LEU 28 -0.299 1.266 3.159 173 HB2 LEU 28 1HB LEU 28 -1.862 -0.150 1.924 174 HB3 LEU 28 2HB LEU 28 -2.190 1.178 0.812 175 HG LEU 28 HG LEU 28 0.198 1.082 0.101 176 HD11 LEU 28 1HD1 LEU 28 0.500 -1.635 1.194 177 HD12 LEU 28 2HD1 LEU 28 0.638 -0.319 2.359 178 HD13 LEU 28 3HD1 LEU 28 1.699 -0.364 0.951 179 HD21 LEU 28 3HD2 LEU 28 -1.571 -1.327 -0.239 180 HD22 LEU 28 1HD2 LEU 28 -0.066 -1.108 -1.133 181 HD23 LEU 28 2HD2 LEU 28 -1.381 0.052 -1.324 182 H THR 29 H THR 29 -2.257 3.608 1.352 183 HA THR 29 HA THR 29 -0.260 4.769 -0.185 184 HB THR 29 HB THR 29 -2.833 5.221 -0.131 185 HG1 THR 29 HG1 THR 29 -1.261 7.526 -0.573 186 HG21 THR 29 3HG2 THR 29 -3.546 7.158 1.039 187 HG22 THR 29 1HG2 THR 29 -1.896 7.572 1.505 188 HG23 THR 29 2HG2 THR 29 -2.687 6.165 2.216 189 H GLN 30 H GLN 30 -1.088 5.285 3.187 190 HA GLN 30 HA GLN 30 0.639 7.562 3.492 191 HB2 GLN 30 1HB GLN 30 -1.051 5.905 5.313 192 HB3 GLN 30 2HB GLN 30 0.208 6.911 6.016 193 HG2 GLN 30 1HG GLN 30 -0.777 8.871 4.886 194 HG3 GLN 30 2HG GLN 30 -2.078 7.839 4.294 195 HE21 GLN 30 1HE2 GLN 30 -2.849 9.938 5.686 196 HE22 GLN 30 2HE2 GLN 30 -3.356 9.504 7.280 197 H HIS 31 H HIS 31 0.723 4.208 4.698 198 HA HIS 31 HA HIS 31 3.191 4.266 5.937 199 HB2 HIS 31 1HB HIS 31 1.930 2.322 6.279 200 HB3 HIS 31 2HB HIS 31 1.672 2.073 4.554 201 HD1 HIS 31 HD1 HIS 31 4.235 1.582 7.252 202 HD2 HIS 31 HD2 HIS 31 3.651 0.625 3.251 203 HE1 HIS 31 HE1 HIS 31 6.034 -0.083 6.689 204 H GLN 32 H GLN 32 2.494 3.368 2.561 205 HA GLN 32 HA GLN 32 4.903 2.691 1.583 206 HB2 GLN 32 1HB GLN 32 2.669 4.288 0.438 207 HB3 GLN 32 2HB GLN 32 4.179 4.240 -0.463 208 HG2 GLN 32 1HG GLN 32 2.773 1.758 0.469 209 HG3 GLN 32 2HG GLN 32 2.429 2.527 -1.080 210 HE21 GLN 32 1HE2 GLN 32 3.247 1.148 -2.516 211 HE22 GLN 32 2HE2 GLN 32 4.883 0.593 -2.545 212 H ARG 33 H ARG 33 4.019 5.831 2.763 213 HA ARG 33 HA ARG 33 5.923 7.457 1.579 214 HB2 ARG 33 1HB ARG 33 4.844 7.565 4.401 215 HB3 ARG 33 2HB ARG 33 5.738 8.863 3.621 216 HG2 ARG 33 1HG ARG 33 3.319 7.819 2.253 217 HG3 ARG 33 2HG ARG 33 3.104 8.827 3.686 218 HD2 ARG 33 1HD ARG 33 3.101 10.393 1.987 219 HD3 ARG 33 2HD ARG 33 4.786 10.413 2.506 220 HE ARG 33 HE ARG 33 4.662 8.555 0.486 221 HH11 ARG 33 1HH1 ARG 33 3.940 11.942 0.835 222 HH12 ARG 33 2HH1 ARG 33 4.306 12.324 -0.815 223 HH21 ARG 33 1HH2 ARG 33 5.147 9.044 -1.688 224 HH22 ARG 33 2HH2 ARG 33 4.992 10.674 -2.249 225 H VAL 34 H VAL 34 6.213 5.499 4.530 226 HA VAL 34 HA VAL 34 8.754 6.220 5.331 227 HB VAL 34 HB VAL 34 8.936 3.994 6.373 228 HG11 VAL 34 1HG1 VAL 34 6.114 4.593 6.904 229 HG12 VAL 34 2HG1 VAL 34 7.498 4.569 8.000 230 HG13 VAL 34 3HG1 VAL 34 7.193 5.985 6.993 231 HG21 VAL 34 3HG2 VAL 34 7.309 3.194 4.247 232 HG22 VAL 34 1HG2 VAL 34 7.875 2.203 5.592 233 HG23 VAL 34 2HG2 VAL 34 6.313 3.016 5.692 234 H HIS 35 H HIS 35 7.824 4.545 2.505 235 HA HIS 35 HA HIS 35 10.574 3.601 2.060 236 HB2 HIS 35 1HB HIS 35 8.050 2.826 0.583 237 HB3 HIS 35 2HB HIS 35 9.649 2.124 0.352 238 HD1 HIS 35 HD1 HIS 35 10.512 1.498 3.162 239 HD2 HIS 35 HD2 HIS 35 6.630 0.884 1.816 240 HE1 HIS 35 HE1 HIS 35 9.535 -0.239 4.696 241 H SER 36 H SER 36 11.278 5.759 1.541 242 HA SER 36 HA SER 36 10.386 7.600 -0.165 243 HB2 SER 36 1HB SER 36 13.175 6.477 0.047 244 HB3 SER 36 2HB SER 36 12.808 7.855 -0.990 245 HG SER 36 HG SER 36 11.885 7.956 1.634 246 H GLY 37 H GLY 37 9.786 7.794 -2.233 247 HA2 GLY 37 1HA GLY 37 10.846 6.004 -4.262 248 HA3 GLY 37 2HA GLY 37 9.129 5.832 -3.930 249 H GLU 38 H GLU 38 11.244 7.205 -5.986 250 HA GLU 38 HA GLU 38 11.190 8.928 -7.478 251 HB2 GLU 38 1HB GLU 38 9.034 7.580 -7.934 252 HB3 GLU 38 2HB GLU 38 8.201 8.922 -7.163 253 HG2 GLU 38 1HG GLU 38 9.472 10.392 -8.854 254 HG3 GLU 38 2HG GLU 38 9.737 8.883 -9.726 255 H LYS 39 H LYS 39 11.713 9.816 -4.944 256 HA LYS 39 HA LYS 39 10.411 12.449 -4.967 257 HB2 LYS 39 1HB LYS 39 10.062 12.474 -2.646 258 HB3 LYS 39 2HB LYS 39 9.532 10.873 -3.144 259 HG2 LYS 39 1HG LYS 39 11.919 10.129 -2.527 260 HG3 LYS 39 2HG LYS 39 12.000 11.659 -1.649 261 HD2 LYS 39 1HD LYS 39 9.667 9.837 -1.239 262 HD3 LYS 39 2HD LYS 39 11.199 9.490 -0.434 263 HE2 LYS 39 1HE LYS 39 11.125 11.909 0.373 264 HE3 LYS 39 2HE LYS 39 9.443 11.914 -0.154 265 HZ1 LYS 39 3HZ LYS 39 8.932 11.024 1.794 266 HZ2 LYS 39 1HZ LYS 39 10.561 10.846 2.217 267 HZ3 LYS 39 2HZ LYS 39 9.772 9.623 1.355 268 HA PRO 40 HA PRO 40 14.490 14.069 -4.777 269 HB2 PRO 40 1HB PRO 40 14.032 16.423 -3.504 270 HB3 PRO 40 2HB PRO 40 13.552 16.127 -5.180 271 HG2 PRO 40 1HG PRO 40 11.900 16.007 -2.686 272 HG3 PRO 40 2HG PRO 40 11.495 16.707 -4.264 273 HD2 PRO 40 1HD PRO 40 10.608 14.272 -3.480 274 HD3 PRO 40 2HD PRO 40 10.960 14.659 -5.176 275 H SER 41 H SER 41 16.220 14.629 -3.339 276 HA SER 41 HA SER 41 15.733 13.947 -0.517 277 HB2 SER 41 1HB SER 41 16.770 12.018 -1.601 278 HB3 SER 41 2HB SER 41 18.068 13.040 -2.219 279 HG SER 41 HG SER 41 17.631 12.066 0.349 280 H GLY 42 H GLY 42 18.621 14.903 -2.363 281 HA2 GLY 42 1HA GLY 42 19.142 17.388 -2.215 282 HA3 GLY 42 2HA GLY 42 18.934 17.158 -0.485 283 HA PRO 43 HA PRO 43 23.231 16.334 -0.158 284 HB2 PRO 43 1HB PRO 43 23.254 14.828 2.100 285 HB3 PRO 43 2HB PRO 43 22.963 16.571 2.112 286 HG2 PRO 43 1HG PRO 43 20.992 14.322 2.246 287 HG3 PRO 43 2HG PRO 43 21.032 15.832 3.175 288 HD2 PRO 43 1HD PRO 43 19.406 15.478 1.040 289 HD3 PRO 43 2HD PRO 43 20.097 17.058 1.462 290 H SER 44 H SER 44 23.781 15.041 -1.889 291 HA SER 44 HA SER 44 23.029 12.314 -2.132 292 HB2 SER 44 1HB SER 44 24.828 12.267 -3.903 293 HB3 SER 44 2HB SER 44 23.602 13.514 -4.127 294 HG SER 44 HG SER 44 25.373 14.685 -4.329 295 H SER 45 H SER 45 23.573 11.395 -0.105 296 HA SER 45 HA SER 45 26.404 10.650 0.085 297 HB2 SER 45 1HB SER 45 25.595 12.529 1.741 298 HB3 SER 45 2HB SER 45 24.882 11.171 2.612 299 HG SER 45 HG SER 45 27.087 11.759 3.220 300 H GLY 46 H GLY 46 26.804 8.602 0.937 301 HA2 GLY 46 1HA GLY 46 25.158 6.903 2.296 302 HA3 GLY 46 2HA GLY 46 24.640 6.734 0.625 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -5.498 -27.071 -0.673 2 HA2 GLY 1 1HA GLY 1 -6.819 -29.706 -0.648 3 HA3 GLY 1 2HA GLY 1 -5.120 -29.424 -0.296 4 H SER 2 H SER 2 -8.177 -28.048 0.922 5 HA SER 2 HA SER 2 -8.690 -27.412 3.084 6 HB2 SER 2 1HB SER 2 -9.314 -29.290 4.371 7 HB3 SER 2 2HB SER 2 -9.394 -29.856 2.703 8 HG SER 2 HG SER 2 -7.942 -31.280 3.191 9 H SER 3 H SER 3 -6.057 -26.699 2.584 10 HA SER 3 HA SER 3 -4.053 -27.614 4.198 11 HB2 SER 3 1HB SER 3 -4.690 -24.715 3.596 12 HB3 SER 3 2HB SER 3 -3.137 -25.320 4.171 13 HG SER 3 HG SER 3 -4.409 -26.055 1.740 14 H GLY 4 H GLY 4 -6.547 -25.238 5.096 15 HA2 GLY 4 1HA GLY 4 -7.545 -24.977 7.189 16 HA3 GLY 4 2HA GLY 4 -6.387 -26.119 7.856 17 H SER 5 H SER 5 -6.704 -22.798 6.659 18 HA SER 5 HA SER 5 -4.518 -22.031 8.481 19 HB2 SER 5 1HB SER 5 -3.971 -20.218 6.993 20 HB3 SER 5 2HB SER 5 -4.066 -21.693 6.031 21 HG SER 5 HG SER 5 -5.311 -20.407 4.873 22 H SER 6 H SER 6 -5.353 -21.184 10.270 23 HA SER 6 HA SER 6 -7.786 -19.552 10.081 24 HB2 SER 6 1HB SER 6 -6.452 -20.785 12.505 25 HB3 SER 6 2HB SER 6 -7.959 -19.868 12.523 26 HG SER 6 HG SER 6 -7.841 -22.380 12.281 27 H GLY 7 H GLY 7 -7.638 -17.415 10.186 28 HA2 GLY 7 1HA GLY 7 -6.839 -15.517 11.563 29 HA3 GLY 7 2HA GLY 7 -5.244 -16.249 11.470 30 H THR 8 H THR 8 -5.036 -16.891 8.822 31 HA THR 8 HA THR 8 -4.464 -14.343 7.671 32 HB THR 8 HB THR 8 -3.831 -15.694 5.638 33 HG1 THR 8 HG1 THR 8 -4.057 -18.005 7.218 34 HG21 THR 8 3HG2 THR 8 -2.586 -15.531 8.180 35 HG22 THR 8 1HG2 THR 8 -1.824 -15.722 6.602 36 HG23 THR 8 2HG2 THR 8 -2.279 -17.145 7.539 37 H GLY 9 H GLY 9 -6.123 -13.092 7.038 38 HA2 GLY 9 1HA GLY 9 -8.363 -14.335 5.598 39 HA3 GLY 9 2HA GLY 9 -8.377 -12.740 6.335 40 H GLU 10 H GLU 10 -9.336 -12.278 4.145 41 HA GLU 10 HA GLU 10 -7.737 -12.353 1.819 42 HB2 GLU 10 1HB GLU 10 -10.215 -10.861 2.610 43 HB3 GLU 10 2HB GLU 10 -9.400 -10.474 1.101 44 HG2 GLU 10 1HG GLU 10 -10.278 -13.255 1.819 45 HG3 GLU 10 2HG GLU 10 -11.300 -12.113 0.948 46 H LYS 11 H LYS 11 -6.171 -11.054 1.101 47 HA LYS 11 HA LYS 11 -5.808 -8.437 2.396 48 HB2 LYS 11 1HB LYS 11 -3.717 -10.542 1.850 49 HB3 LYS 11 2HB LYS 11 -3.310 -8.858 2.155 50 HG2 LYS 11 1HG LYS 11 -3.851 -8.980 4.364 51 HG3 LYS 11 2HG LYS 11 -5.059 -10.243 4.113 52 HD2 LYS 11 1HD LYS 11 -3.324 -11.895 3.798 53 HD3 LYS 11 2HD LYS 11 -2.076 -10.649 3.895 54 HE2 LYS 11 1HE LYS 11 -3.220 -10.174 6.223 55 HE3 LYS 11 2HE LYS 11 -3.748 -11.847 6.050 56 HZ1 LYS 11 3HZ LYS 11 -1.636 -12.631 6.232 57 HZ2 LYS 11 1HZ LYS 11 -1.473 -11.237 7.176 58 HZ3 LYS 11 2HZ LYS 11 -0.924 -11.244 5.577 59 HA PRO 12 HA PRO 12 -5.964 -7.943 -2.195 60 HB2 PRO 12 1HB PRO 12 -7.435 -5.663 -2.117 61 HB3 PRO 12 2HB PRO 12 -8.160 -7.274 -2.082 62 HG2 PRO 12 1HG PRO 12 -7.608 -5.396 0.183 63 HG3 PRO 12 2HG PRO 12 -9.045 -6.389 -0.122 64 HD2 PRO 12 1HD PRO 12 -7.125 -7.110 1.647 65 HD3 PRO 12 2HD PRO 12 -8.058 -8.297 0.714 66 H TYR 13 H TYR 13 -4.936 -6.007 0.475 67 HA TYR 13 HA TYR 13 -3.317 -4.346 -1.344 68 HB2 TYR 13 1HB TYR 13 -4.103 -3.616 1.478 69 HB3 TYR 13 2HB TYR 13 -3.377 -2.573 0.260 70 HD1 TYR 13 HD2 TYR 13 -4.732 -1.834 -1.694 71 HD2 TYR 13 HD1 TYR 13 -6.457 -3.963 1.561 72 HE1 TYR 13 HE2 TYR 13 -6.970 -1.105 -2.410 73 HE2 TYR 13 HE1 TYR 13 -8.699 -3.241 0.853 74 HH TYR 13 HH TYR 13 -9.711 -1.400 -0.460 75 H GLU 14 H GLU 14 -1.156 -3.923 -0.774 76 HA GLU 14 HA GLU 14 0.096 -4.916 1.551 77 HB2 GLU 14 1HB GLU 14 -0.439 -7.078 0.395 78 HB3 GLU 14 2HB GLU 14 0.610 -6.572 -0.922 79 HG2 GLU 14 1HG GLU 14 2.531 -6.724 0.384 80 HG3 GLU 14 2HG GLU 14 1.618 -6.707 1.892 81 H CYS 15 H CYS 15 2.183 -4.187 1.734 82 HA CYS 15 HA CYS 15 2.995 -2.161 -0.111 83 HB2 CYS 15 1HB CYS 15 3.378 -2.377 2.489 84 HB3 CYS 15 2HB CYS 15 4.836 -3.229 1.990 85 H ASP 16 H ASP 16 5.509 -2.163 -0.625 86 HA ASP 16 HA ASP 16 6.096 -4.739 -1.931 87 HB2 ASP 16 1HB ASP 16 6.951 -2.001 -2.887 88 HB3 ASP 16 2HB ASP 16 7.151 -3.532 -3.736 89 H VAL 17 H VAL 17 7.523 -1.869 -0.421 90 HA VAL 17 HA VAL 17 10.187 -2.806 -0.405 91 HB VAL 17 HB VAL 17 8.863 -0.823 1.452 92 HG11 VAL 17 1HG1 VAL 17 11.269 -2.013 1.850 93 HG12 VAL 17 2HG1 VAL 17 11.738 -0.606 0.894 94 HG13 VAL 17 3HG1 VAL 17 10.853 -0.391 2.405 95 HG21 VAL 17 3HG2 VAL 17 9.137 -0.578 -1.231 96 HG22 VAL 17 1HG2 VAL 17 9.146 0.779 -0.105 97 HG23 VAL 17 2HG2 VAL 17 10.669 0.100 -0.679 98 H CYS 18 H CYS 18 7.667 -2.833 2.108 99 HA CYS 18 HA CYS 18 9.307 -4.720 3.653 100 HB2 CYS 18 1HB CYS 18 7.987 -4.106 5.583 101 HB3 CYS 18 2HB CYS 18 8.566 -2.638 4.801 102 H ARG 19 H ARG 19 6.395 -4.398 1.841 103 HA ARG 19 HA ARG 19 4.817 -5.903 1.191 104 HB2 ARG 19 1HB ARG 19 6.637 -7.956 2.462 105 HB3 ARG 19 2HB ARG 19 5.326 -8.286 1.337 106 HG2 ARG 19 1HG ARG 19 7.260 -8.403 0.041 107 HG3 ARG 19 2HG ARG 19 6.593 -6.807 -0.309 108 HD2 ARG 19 1HD ARG 19 8.235 -5.713 0.893 109 HD3 ARG 19 2HD ARG 19 8.596 -7.127 1.882 110 HE ARG 19 HE ARG 19 9.238 -7.385 -0.927 111 HH11 ARG 19 1HH1 ARG 19 10.360 -6.525 2.255 112 HH12 ARG 19 2HH1 ARG 19 12.033 -6.759 1.870 113 HH21 ARG 19 1HH2 ARG 19 11.438 -7.697 -1.445 114 HH22 ARG 19 2HH2 ARG 19 12.645 -7.425 -0.234 115 H LYS 20 H LYS 20 4.185 -4.534 3.408 116 HA LYS 20 HA LYS 20 3.274 -6.435 5.431 117 HB2 LYS 20 1HB LYS 20 4.391 -4.183 5.962 118 HB3 LYS 20 2HB LYS 20 2.863 -3.452 5.487 119 HG2 LYS 20 1HG LYS 20 1.702 -4.655 7.231 120 HG3 LYS 20 2HG LYS 20 3.186 -5.505 7.667 121 HD2 LYS 20 1HD LYS 20 4.187 -3.194 8.080 122 HD3 LYS 20 2HD LYS 20 2.530 -2.590 8.003 123 HE2 LYS 20 1HE LYS 20 3.174 -2.997 10.307 124 HE3 LYS 20 2HE LYS 20 1.905 -4.119 9.820 125 HZ1 LYS 20 3HZ LYS 20 3.724 -5.166 11.094 126 HZ2 LYS 20 1HZ LYS 20 4.797 -4.784 9.844 127 HZ3 LYS 20 2HZ LYS 20 3.514 -5.848 9.560 128 H ALA 21 H ALA 21 1.064 -6.453 6.145 129 HA ALA 21 HA ALA 21 -0.797 -6.017 3.928 130 HB1 ALA 21 3HB ALA 21 -1.761 -7.915 4.565 131 HB2 ALA 21 1HB ALA 21 -0.461 -8.112 5.741 132 HB3 ALA 21 2HB ALA 21 -1.966 -7.323 6.214 133 H PHE 22 H PHE 22 -2.774 -4.934 4.200 134 HA PHE 22 HA PHE 22 -3.193 -3.451 6.677 135 HB2 PHE 22 1HB PHE 22 -3.135 -2.037 4.008 136 HB3 PHE 22 2HB PHE 22 -3.341 -1.308 5.598 137 HD1 PHE 22 HD1 PHE 22 -0.934 -3.033 3.392 138 HD2 PHE 22 HD2 PHE 22 -1.484 -0.714 6.919 139 HE1 PHE 22 HE1 PHE 22 1.498 -2.696 3.546 140 HE2 PHE 22 HE2 PHE 22 0.947 -0.373 7.078 141 HZ PHE 22 HZ PHE 22 2.442 -1.364 5.390 142 H SER 23 H SER 23 -5.325 -2.515 6.844 143 HA SER 23 HA SER 23 -7.321 -4.208 5.666 144 HB2 SER 23 1HB SER 23 -7.637 -1.778 7.445 145 HB3 SER 23 2HB SER 23 -8.907 -2.935 7.049 146 HG SER 23 HG SER 23 -6.536 -3.399 8.530 147 H HIS 24 H HIS 24 -6.806 -0.678 5.655 148 HA HIS 24 HA HIS 24 -8.384 -0.536 3.176 149 HB2 HIS 24 1HB HIS 24 -9.036 0.819 5.269 150 HB3 HIS 24 2HB HIS 24 -7.642 1.826 4.889 151 HD1 HIS 24 HD1 HIS 24 -8.085 3.717 3.352 152 HD2 HIS 24 HD2 HIS 24 -10.947 0.726 2.998 153 HE1 HIS 24 HE1 HIS 24 -9.799 4.613 1.745 154 H HIS 25 H HIS 25 -7.677 1.112 1.585 155 HA HIS 25 HA HIS 25 -5.032 0.661 0.769 156 HB2 HIS 25 1HB HIS 25 -7.091 1.432 -0.605 157 HB3 HIS 25 2HB HIS 25 -6.613 3.057 -0.125 158 HD1 HIS 25 HD1 HIS 25 -5.056 0.038 -1.838 159 HD2 HIS 25 HD2 HIS 25 -4.813 4.185 -1.802 160 HE1 HIS 25 HE1 HIS 25 -3.431 0.632 -3.663 161 H ALA 26 H ALA 26 -6.499 3.663 2.021 162 HA ALA 26 HA ALA 26 -4.497 5.411 2.100 163 HB1 ALA 26 3HB ALA 26 -5.332 6.244 4.271 164 HB2 ALA 26 1HB ALA 26 -6.627 5.895 3.125 165 HB3 ALA 26 2HB ALA 26 -6.286 4.771 4.441 166 H SER 27 H SER 27 -4.905 3.099 4.792 167 HA SER 27 HA SER 27 -2.671 3.557 6.236 168 HB2 SER 27 1HB SER 27 -4.520 1.669 6.401 169 HB3 SER 27 2HB SER 27 -3.269 0.689 5.636 170 HG SER 27 HG SER 27 -2.993 0.524 7.831 171 H LEU 28 H LEU 28 -2.822 1.620 3.273 172 HA LEU 28 HA LEU 28 -0.025 1.000 3.302 173 HB2 LEU 28 1HB LEU 28 -1.336 -0.583 2.210 174 HB3 LEU 28 2HB LEU 28 -2.251 0.642 1.334 175 HG LEU 28 HG LEU 28 -0.232 1.092 -0.040 176 HD11 LEU 28 1HD1 LEU 28 0.863 -1.155 1.619 177 HD12 LEU 28 2HD1 LEU 28 1.571 0.427 1.295 178 HD13 LEU 28 3HD1 LEU 28 1.496 -0.784 0.015 179 HD21 LEU 28 3HD2 LEU 28 -0.361 -1.018 -1.336 180 HD22 LEU 28 1HD2 LEU 28 -1.940 -0.357 -0.913 181 HD23 LEU 28 2HD2 LEU 28 -1.291 -1.731 -0.018 182 H THR 29 H THR 29 -2.079 3.308 1.580 183 HA THR 29 HA THR 29 -0.167 4.349 -0.168 184 HB THR 29 HB THR 29 -2.630 5.567 1.063 185 HG1 THR 29 HG1 THR 29 -2.399 3.890 -0.813 186 HG21 THR 29 3HG2 THR 29 -1.874 7.605 0.551 187 HG22 THR 29 1HG2 THR 29 -1.933 7.121 -1.143 188 HG23 THR 29 2HG2 THR 29 -0.436 6.945 -0.227 189 H GLN 30 H GLN 30 -1.246 5.746 2.937 190 HA GLN 30 HA GLN 30 0.712 7.745 3.053 191 HB2 GLN 30 1HB GLN 30 -1.321 7.758 4.434 192 HB3 GLN 30 2HB GLN 30 -0.719 6.375 5.337 193 HG2 GLN 30 1HG GLN 30 -0.113 8.032 6.756 194 HG3 GLN 30 2HG GLN 30 1.332 7.984 5.747 195 HE21 GLN 30 1HE2 GLN 30 1.367 9.501 3.907 196 HE22 GLN 30 2HE2 GLN 30 0.662 11.063 4.127 197 H HIS 31 H HIS 31 0.647 4.506 4.513 198 HA HIS 31 HA HIS 31 3.022 4.585 5.920 199 HB2 HIS 31 1HB HIS 31 1.742 2.667 6.271 200 HB3 HIS 31 2HB HIS 31 1.540 2.367 4.547 201 HD1 HIS 31 HD1 HIS 31 3.988 1.904 7.353 202 HD2 HIS 31 HD2 HIS 31 3.539 0.843 3.361 203 HE1 HIS 31 HE1 HIS 31 5.770 0.186 6.909 204 H GLN 32 H GLN 32 2.558 3.526 2.550 205 HA GLN 32 HA GLN 32 5.010 2.779 1.770 206 HB2 GLN 32 1HB GLN 32 2.946 4.442 0.391 207 HB3 GLN 32 2HB GLN 32 4.500 4.197 -0.394 208 HG2 GLN 32 1HG GLN 32 2.713 1.974 0.562 209 HG3 GLN 32 2HG GLN 32 2.743 2.594 -1.088 210 HE21 GLN 32 1HE2 GLN 32 3.210 0.180 -1.294 211 HE22 GLN 32 2HE2 GLN 32 4.879 -0.266 -1.333 212 H ARG 33 H ARG 33 4.105 6.000 2.720 213 HA ARG 33 HA ARG 33 6.115 7.543 1.636 214 HB2 ARG 33 1HB ARG 33 4.830 7.726 4.364 215 HB3 ARG 33 2HB ARG 33 5.871 8.972 3.688 216 HG2 ARG 33 1HG ARG 33 3.347 8.016 2.361 217 HG3 ARG 33 2HG ARG 33 3.418 9.392 3.464 218 HD2 ARG 33 1HD ARG 33 5.156 9.186 1.019 219 HD3 ARG 33 2HD ARG 33 3.545 9.903 0.976 220 HE ARG 33 HE ARG 33 4.683 11.281 2.957 221 HH11 ARG 33 1HH1 ARG 33 5.843 10.455 -0.220 222 HH12 ARG 33 2HH1 ARG 33 6.822 11.876 -0.375 223 HH21 ARG 33 1HH2 ARG 33 5.969 13.156 2.766 224 HH22 ARG 33 2HH2 ARG 33 6.894 13.411 1.325 225 H VAL 34 H VAL 34 6.204 5.746 4.709 226 HA VAL 34 HA VAL 34 8.657 6.395 5.676 227 HB VAL 34 HB VAL 34 8.802 4.184 6.687 228 HG11 VAL 34 1HG1 VAL 34 6.428 4.087 7.632 229 HG12 VAL 34 2HG1 VAL 34 7.326 5.592 7.838 230 HG13 VAL 34 3HG1 VAL 34 6.090 5.466 6.586 231 HG21 VAL 34 3HG2 VAL 34 6.349 3.151 5.444 232 HG22 VAL 34 1HG2 VAL 34 7.748 3.236 4.373 233 HG23 VAL 34 2HG2 VAL 34 7.842 2.317 5.876 234 H HIS 35 H HIS 35 7.977 4.610 2.793 235 HA HIS 35 HA HIS 35 10.797 3.847 2.510 236 HB2 HIS 35 1HB HIS 35 8.508 3.043 0.713 237 HB3 HIS 35 2HB HIS 35 10.105 2.307 0.818 238 HD1 HIS 35 HD1 HIS 35 10.526 1.468 3.541 239 HD2 HIS 35 HD2 HIS 35 6.699 1.463 1.922 240 HE1 HIS 35 HE1 HIS 35 9.197 -0.126 4.962 241 H SER 36 H SER 36 12.011 4.447 0.710 242 HA SER 36 HA SER 36 10.852 6.574 -0.966 243 HB2 SER 36 1HB SER 36 13.020 7.750 -0.889 244 HB3 SER 36 2HB SER 36 12.315 7.591 0.720 245 HG SER 36 HG SER 36 13.755 5.465 0.450 246 H GLY 37 H GLY 37 10.513 5.156 -2.685 247 HA2 GLY 37 1HA GLY 37 11.091 3.676 -4.388 248 HA3 GLY 37 2HA GLY 37 12.230 4.973 -4.721 249 H GLU 38 H GLU 38 12.097 2.527 -2.137 250 HA GLU 38 HA GLU 38 14.918 1.973 -2.549 251 HB2 GLU 38 1HB GLU 38 13.877 2.242 -0.265 252 HB3 GLU 38 2HB GLU 38 13.055 0.712 -0.536 253 HG2 GLU 38 1HG GLU 38 15.059 0.426 0.812 254 HG3 GLU 38 2HG GLU 38 15.187 -0.429 -0.725 255 H LYS 39 H LYS 39 15.738 0.214 -3.510 256 HA LYS 39 HA LYS 39 13.837 -1.781 -4.532 257 HB2 LYS 39 1HB LYS 39 15.461 -2.264 -6.260 258 HB3 LYS 39 2HB LYS 39 15.163 -0.531 -6.211 259 HG2 LYS 39 1HG LYS 39 17.250 -0.060 -5.352 260 HG3 LYS 39 2HG LYS 39 17.460 -1.684 -4.692 261 HD2 LYS 39 1HD LYS 39 17.277 -1.231 -7.651 262 HD3 LYS 39 2HD LYS 39 18.804 -1.018 -6.792 263 HE2 LYS 39 1HE LYS 39 18.923 -3.226 -7.471 264 HE3 LYS 39 2HE LYS 39 18.300 -3.371 -5.828 265 HZ1 LYS 39 3HZ LYS 39 16.234 -3.090 -7.802 266 HZ2 LYS 39 1HZ LYS 39 16.395 -4.229 -6.561 267 HZ3 LYS 39 2HZ LYS 39 17.183 -4.470 -8.038 268 HA PRO 40 HA PRO 40 15.533 -4.964 -2.025 269 HB2 PRO 40 1HB PRO 40 15.194 -7.117 -3.645 270 HB3 PRO 40 2HB PRO 40 13.852 -6.313 -2.822 271 HG2 PRO 40 1HG PRO 40 14.785 -6.025 -5.652 272 HG3 PRO 40 2HG PRO 40 13.131 -6.153 -5.027 273 HD2 PRO 40 1HD PRO 40 14.242 -3.787 -5.733 274 HD3 PRO 40 2HD PRO 40 13.053 -3.931 -4.423 275 H SER 41 H SER 41 17.663 -5.010 -1.647 276 HA SER 41 HA SER 41 19.446 -5.861 -3.836 277 HB2 SER 41 1HB SER 41 19.996 -3.933 -1.570 278 HB3 SER 41 2HB SER 41 21.237 -4.557 -2.657 279 HG SER 41 HG SER 41 18.920 -3.211 -3.573 280 H GLY 42 H GLY 42 19.347 -5.679 -0.269 281 HA2 GLY 42 1HA GLY 42 19.319 -7.944 0.835 282 HA3 GLY 42 2HA GLY 42 20.674 -8.319 -0.219 283 HA PRO 43 HA PRO 43 22.099 -5.124 3.171 284 HB2 PRO 43 1HB PRO 43 20.624 -5.210 5.449 285 HB3 PRO 43 2HB PRO 43 20.277 -4.096 4.121 286 HG2 PRO 43 1HG PRO 43 18.983 -6.712 4.785 287 HG3 PRO 43 2HG PRO 43 18.230 -5.188 4.279 288 HD2 PRO 43 1HD PRO 43 18.645 -7.246 2.570 289 HD3 PRO 43 2HD PRO 43 18.702 -5.549 2.052 290 H SER 44 H SER 44 23.242 -5.515 5.231 291 HA SER 44 HA SER 44 23.615 -8.401 5.675 292 HB2 SER 44 1HB SER 44 25.531 -6.849 4.817 293 HB3 SER 44 2HB SER 44 25.622 -6.323 6.498 294 HG SER 44 HG SER 44 26.211 -8.331 7.110 295 H SER 45 H SER 45 23.629 -9.239 7.728 296 HA SER 45 HA SER 45 22.257 -7.683 9.733 297 HB2 SER 45 1HB SER 45 22.325 -9.805 11.047 298 HB3 SER 45 2HB SER 45 21.613 -10.002 9.446 299 HG SER 45 HG SER 45 23.463 -11.466 10.379 300 H GLY 46 H GLY 46 23.049 -6.963 11.668 301 HA2 GLY 46 1HA GLY 46 25.776 -7.608 12.451 302 HA3 GLY 46 2HA GLY 46 25.488 -5.934 12.001 Start of MODEL 7 1 H1 GLY 1 H GLY 1 2.406 -29.704 -8.547 2 HA2 GLY 1 1HA GLY 1 1.601 -29.499 -5.942 3 HA3 GLY 1 2HA GLY 1 3.088 -28.785 -6.548 4 H SER 2 H SER 2 0.107 -28.173 -5.132 5 HA SER 2 HA SER 2 0.515 -25.291 -5.462 6 HB2 SER 2 1HB SER 2 -1.852 -24.893 -5.868 7 HB3 SER 2 2HB SER 2 -1.224 -25.994 -7.095 8 HG SER 2 HG SER 2 -3.291 -26.397 -5.586 9 H SER 3 H SER 3 0.187 -24.132 -3.643 10 HA SER 3 HA SER 3 -0.644 -25.628 -1.257 11 HB2 SER 3 1HB SER 3 0.989 -23.100 -1.566 12 HB3 SER 3 2HB SER 3 0.475 -23.751 -0.009 13 HG SER 3 HG SER 3 2.114 -25.052 -1.929 14 H GLY 4 H GLY 4 -2.685 -24.788 -2.946 15 HA2 GLY 4 1HA GLY 4 -4.528 -23.379 -3.105 16 HA3 GLY 4 2HA GLY 4 -4.599 -23.754 -1.390 17 H SER 5 H SER 5 -3.170 -21.491 -3.716 18 HA SER 5 HA SER 5 -3.721 -19.301 -1.889 19 HB2 SER 5 1HB SER 5 -1.368 -20.221 -1.414 20 HB3 SER 5 2HB SER 5 -0.926 -19.563 -2.989 21 HG SER 5 HG SER 5 -2.219 -17.964 -1.061 22 H SER 6 H SER 6 -4.831 -17.951 -3.128 23 HA SER 6 HA SER 6 -4.116 -17.687 -5.962 24 HB2 SER 6 1HB SER 6 -6.504 -18.236 -5.205 25 HB3 SER 6 2HB SER 6 -6.590 -16.563 -4.652 26 HG SER 6 HG SER 6 -6.742 -15.913 -6.652 27 H GLY 7 H GLY 7 -5.163 -15.597 -3.260 28 HA2 GLY 7 1HA GLY 7 -3.976 -13.656 -2.567 29 HA3 GLY 7 2HA GLY 7 -3.205 -13.599 -4.146 30 H THR 8 H THR 8 -6.651 -13.905 -3.391 31 HA THR 8 HA THR 8 -7.123 -11.173 -4.301 32 HB THR 8 HB THR 8 -8.776 -11.795 -5.947 33 HG1 THR 8 HG1 THR 8 -8.204 -14.429 -5.062 34 HG21 THR 8 3HG2 THR 8 -6.134 -13.207 -6.286 35 HG22 THR 8 1HG2 THR 8 -6.585 -11.603 -6.864 36 HG23 THR 8 2HG2 THR 8 -7.315 -13.038 -7.585 37 H GLY 9 H GLY 9 -8.676 -10.212 -3.142 38 HA2 GLY 9 1HA GLY 9 -11.063 -10.584 -2.348 39 HA3 GLY 9 2HA GLY 9 -10.379 -11.939 -1.461 40 H GLU 10 H GLU 10 -9.491 -11.596 0.502 41 HA GLU 10 HA GLU 10 -9.782 -8.939 1.629 42 HB2 GLU 10 1HB GLU 10 -9.035 -11.595 2.859 43 HB3 GLU 10 2HB GLU 10 -9.150 -10.095 3.769 44 HG2 GLU 10 1HG GLU 10 -11.217 -10.949 4.162 45 HG3 GLU 10 2HG GLU 10 -11.552 -10.019 2.703 46 H LYS 11 H LYS 11 -8.123 -7.781 2.664 47 HA LYS 11 HA LYS 11 -6.050 -6.847 2.779 48 HB2 LYS 11 1HB LYS 11 -4.850 -9.591 2.614 49 HB3 LYS 11 2HB LYS 11 -4.334 -8.213 3.578 50 HG2 LYS 11 1HG LYS 11 -6.323 -8.490 4.999 51 HG3 LYS 11 2HG LYS 11 -6.775 -9.912 4.055 52 HD2 LYS 11 1HD LYS 11 -4.437 -10.798 4.652 53 HD3 LYS 11 2HD LYS 11 -4.423 -9.534 5.883 54 HE2 LYS 11 1HE LYS 11 -6.179 -10.492 7.063 55 HE3 LYS 11 2HE LYS 11 -6.740 -11.417 5.670 56 HZ1 LYS 11 3HZ LYS 11 -4.697 -12.064 7.621 57 HZ2 LYS 11 1HZ LYS 11 -4.299 -12.435 6.018 58 HZ3 LYS 11 2HZ LYS 11 -5.695 -13.087 6.716 59 HA PRO 12 HA PRO 12 -5.366 -7.952 -1.808 60 HB2 PRO 12 1HB PRO 12 -6.738 -5.887 -2.915 61 HB3 PRO 12 2HB PRO 12 -7.478 -7.454 -2.565 62 HG2 PRO 12 1HG PRO 12 -7.587 -4.913 -0.986 63 HG3 PRO 12 2HG PRO 12 -8.889 -6.060 -1.352 64 HD2 PRO 12 1HD PRO 12 -7.607 -6.025 1.032 65 HD3 PRO 12 2HD PRO 12 -8.245 -7.517 0.313 66 H TYR 13 H TYR 13 -4.640 -5.674 0.455 67 HA TYR 13 HA TYR 13 -2.866 -4.220 -1.396 68 HB2 TYR 13 1HB TYR 13 -3.985 -3.117 1.185 69 HB3 TYR 13 2HB TYR 13 -3.076 -2.245 -0.044 70 HD1 TYR 13 HD2 TYR 13 -4.137 -1.809 -2.271 71 HD2 TYR 13 HD1 TYR 13 -6.334 -3.389 1.012 72 HE1 TYR 13 HE2 TYR 13 -6.238 -1.169 -3.377 73 HE2 TYR 13 HE1 TYR 13 -8.442 -2.754 -0.085 74 HH TYR 13 HH TYR 13 -8.464 -0.914 -3.095 75 H GLU 14 H GLU 14 -0.753 -4.347 -0.990 76 HA GLU 14 HA GLU 14 0.248 -4.760 1.690 77 HB2 GLU 14 1HB GLU 14 -0.340 -7.050 0.589 78 HB3 GLU 14 2HB GLU 14 1.117 -6.774 -0.356 79 HG2 GLU 14 1HG GLU 14 2.401 -6.567 1.735 80 HG3 GLU 14 2HG GLU 14 0.936 -6.935 2.644 81 H CYS 15 H CYS 15 2.385 -4.158 1.934 82 HA CYS 15 HA CYS 15 3.426 -2.383 -0.024 83 HB2 CYS 15 1HB CYS 15 3.743 -2.497 2.605 84 HB3 CYS 15 2HB CYS 15 5.158 -3.448 2.163 85 H ASP 16 H ASP 16 5.966 -2.632 -0.429 86 HA ASP 16 HA ASP 16 6.385 -5.333 -1.532 87 HB2 ASP 16 1HB ASP 16 5.907 -3.544 -3.246 88 HB3 ASP 16 2HB ASP 16 7.409 -2.766 -2.753 89 H VAL 17 H VAL 17 8.042 -2.374 -0.463 90 HA VAL 17 HA VAL 17 10.619 -3.480 -0.290 91 HB VAL 17 HB VAL 17 9.425 -1.186 1.273 92 HG11 VAL 17 1HG1 VAL 17 11.911 -2.517 1.599 93 HG12 VAL 17 2HG1 VAL 17 12.227 -0.926 0.903 94 HG13 VAL 17 3HG1 VAL 17 11.325 -1.066 2.412 95 HG21 VAL 17 3HG2 VAL 17 11.110 -1.192 -1.230 96 HG22 VAL 17 1HG2 VAL 17 9.374 -0.886 -1.162 97 HG23 VAL 17 2HG2 VAL 17 10.497 0.232 -0.388 98 H CYS 18 H CYS 18 8.169 -2.968 2.246 99 HA CYS 18 HA CYS 18 9.703 -4.714 4.032 100 HB2 CYS 18 1HB CYS 18 8.423 -3.805 5.835 101 HB3 CYS 18 2HB CYS 18 8.919 -2.454 4.822 102 H ARG 19 H ARG 19 6.887 -4.641 2.075 103 HA ARG 19 HA ARG 19 5.285 -6.187 1.609 104 HB2 ARG 19 1HB ARG 19 7.173 -8.001 3.119 105 HB3 ARG 19 2HB ARG 19 5.760 -8.560 2.232 106 HG2 ARG 19 1HG ARG 19 7.934 -6.970 0.912 107 HG3 ARG 19 2HG ARG 19 8.016 -8.725 1.073 108 HD2 ARG 19 1HD ARG 19 5.564 -7.464 -0.070 109 HD3 ARG 19 2HD ARG 19 7.001 -7.631 -1.077 110 HE ARG 19 HE ARG 19 6.730 -10.111 -0.129 111 HH11 ARG 19 1HH1 ARG 19 4.403 -7.918 -1.507 112 HH12 ARG 19 2HH1 ARG 19 3.410 -9.177 -2.163 113 HH21 ARG 19 1HH2 ARG 19 5.432 -11.778 -0.989 114 HH22 ARG 19 2HH2 ARG 19 3.996 -11.372 -1.868 115 H LYS 20 H LYS 20 4.592 -4.538 3.591 116 HA LYS 20 HA LYS 20 3.656 -6.117 5.858 117 HB2 LYS 20 1HB LYS 20 4.678 -3.858 6.190 118 HB3 LYS 20 2HB LYS 20 3.311 -3.160 5.331 119 HG2 LYS 20 1HG LYS 20 1.810 -3.706 7.037 120 HG3 LYS 20 2HG LYS 20 2.925 -4.862 7.768 121 HD2 LYS 20 1HD LYS 20 4.331 -3.128 8.575 122 HD3 LYS 20 2HD LYS 20 3.501 -1.911 7.602 123 HE2 LYS 20 1HE LYS 20 2.564 -1.532 9.664 124 HE3 LYS 20 2HE LYS 20 1.411 -2.678 8.982 125 HZ1 LYS 20 3HZ LYS 20 1.761 -3.747 10.908 126 HZ2 LYS 20 1HZ LYS 20 3.254 -3.002 11.193 127 HZ3 LYS 20 2HZ LYS 20 3.156 -4.327 10.147 128 H ALA 21 H ALA 21 1.461 -6.259 6.453 129 HA ALA 21 HA ALA 21 -0.368 -6.098 4.170 130 HB1 ALA 21 3HB ALA 21 -1.639 -7.342 6.356 131 HB2 ALA 21 1HB ALA 21 -1.035 -8.091 4.877 132 HB3 ALA 21 2HB ALA 21 0.008 -7.971 6.295 133 H PHE 22 H PHE 22 -2.292 -4.984 4.232 134 HA PHE 22 HA PHE 22 -2.885 -3.411 6.635 135 HB2 PHE 22 1HB PHE 22 -2.903 -2.225 3.855 136 HB3 PHE 22 2HB PHE 22 -3.176 -1.381 5.376 137 HD1 PHE 22 HD1 PHE 22 -0.643 -3.049 3.288 138 HD2 PHE 22 HD2 PHE 22 -1.369 -0.613 6.702 139 HE1 PHE 22 HE1 PHE 22 1.759 -2.531 3.425 140 HE2 PHE 22 HE2 PHE 22 1.031 -0.090 6.844 141 HZ PHE 22 HZ PHE 22 2.598 -1.049 5.203 142 H SER 23 H SER 23 -5.060 -2.811 6.882 143 HA SER 23 HA SER 23 -6.910 -4.564 5.485 144 HB2 SER 23 1HB SER 23 -7.072 -4.416 7.920 145 HB3 SER 23 2HB SER 23 -7.339 -2.677 7.815 146 HG SER 23 HG SER 23 -9.049 -4.318 6.355 147 H HIS 24 H HIS 24 -6.464 -1.091 6.052 148 HA HIS 24 HA HIS 24 -8.509 -0.519 4.029 149 HB2 HIS 24 1HB HIS 24 -8.452 0.585 6.373 150 HB3 HIS 24 2HB HIS 24 -7.137 1.556 5.717 151 HD1 HIS 24 HD1 HIS 24 -7.870 3.687 4.716 152 HD2 HIS 24 HD2 HIS 24 -10.868 0.813 4.584 153 HE1 HIS 24 HE1 HIS 24 -9.867 4.844 3.717 154 H HIS 25 H HIS 25 -7.937 0.041 2.039 155 HA HIS 25 HA HIS 25 -5.470 -0.039 0.942 156 HB2 HIS 25 1HB HIS 25 -6.325 1.520 -0.832 157 HB3 HIS 25 2HB HIS 25 -7.398 0.171 -0.470 158 HD1 HIS 25 HD1 HIS 25 -9.506 0.781 1.084 159 HD2 HIS 25 HD2 HIS 25 -7.461 3.990 -0.583 160 HE1 HIS 25 HE1 HIS 25 -11.065 2.745 1.277 161 H ALA 26 H ALA 26 -6.964 2.823 2.405 162 HA ALA 26 HA ALA 26 -5.066 4.734 1.808 163 HB1 ALA 26 3HB ALA 26 -6.085 6.054 3.363 164 HB2 ALA 26 1HB ALA 26 -7.327 4.815 3.180 165 HB3 ALA 26 2HB ALA 26 -6.214 4.754 4.547 166 H SER 27 H SER 27 -5.149 2.636 4.691 167 HA SER 27 HA SER 27 -2.954 3.437 6.050 168 HB2 SER 27 1HB SER 27 -3.697 0.554 5.494 169 HB3 SER 27 2HB SER 27 -2.665 1.110 6.812 170 HG SER 27 HG SER 27 -4.602 2.466 7.361 171 H LEU 28 H LEU 28 -2.992 1.800 2.977 172 HA LEU 28 HA LEU 28 -0.164 1.227 2.994 173 HB2 LEU 28 1HB LEU 28 -1.803 -0.203 1.821 174 HB3 LEU 28 2HB LEU 28 -2.139 1.129 0.718 175 HG LEU 28 HG LEU 28 0.208 1.019 -0.064 176 HD11 LEU 28 1HD1 LEU 28 1.629 -0.804 0.544 177 HD12 LEU 28 2HD1 LEU 28 0.367 -1.524 1.542 178 HD13 LEU 28 3HD1 LEU 28 1.108 0.001 2.024 179 HD21 LEU 28 3HD2 LEU 28 -0.425 -0.412 -1.657 180 HD22 LEU 28 1HD2 LEU 28 -1.921 -0.585 -0.738 181 HD23 LEU 28 2HD2 LEU 28 -0.609 -1.741 -0.511 182 H THR 29 H THR 29 -2.250 3.284 0.956 183 HA THR 29 HA THR 29 -0.296 4.627 -0.441 184 HB THR 29 HB THR 29 -2.892 4.797 -0.599 185 HG1 THR 29 HG1 THR 29 -2.608 6.707 -1.793 186 HG21 THR 29 3HG2 THR 29 -3.995 6.221 0.740 187 HG22 THR 29 1HG2 THR 29 -2.725 7.440 0.638 188 HG23 THR 29 2HG2 THR 29 -2.584 6.114 1.792 189 H GLN 30 H GLN 30 -1.083 4.888 2.894 190 HA GLN 30 HA GLN 30 0.282 7.447 3.191 191 HB2 GLN 30 1HB GLN 30 -1.448 5.753 4.922 192 HB3 GLN 30 2HB GLN 30 -0.280 6.801 5.716 193 HG2 GLN 30 1HG GLN 30 -1.320 8.721 5.026 194 HG3 GLN 30 2HG GLN 30 -2.048 7.949 3.618 195 HE21 GLN 30 1HE2 GLN 30 -3.058 9.541 6.021 196 HE22 GLN 30 2HE2 GLN 30 -4.399 8.611 6.588 197 H HIS 31 H HIS 31 0.552 4.137 4.480 198 HA HIS 31 HA HIS 31 2.946 4.490 5.871 199 HB2 HIS 31 1HB HIS 31 1.923 2.497 6.411 200 HB3 HIS 31 2HB HIS 31 1.499 2.138 4.740 201 HD1 HIS 31 HD1 HIS 31 4.322 1.852 7.192 202 HD2 HIS 31 HD2 HIS 31 3.396 0.685 3.313 203 HE1 HIS 31 HE1 HIS 31 6.108 0.207 6.540 204 H GLN 32 H GLN 32 2.400 3.381 2.540 205 HA GLN 32 HA GLN 32 4.842 2.682 1.672 206 HB2 GLN 32 1HB GLN 32 2.719 4.335 0.353 207 HB3 GLN 32 2HB GLN 32 4.233 4.024 -0.486 208 HG2 GLN 32 1HG GLN 32 2.349 1.926 0.565 209 HG3 GLN 32 2HG GLN 32 2.491 2.437 -1.116 210 HE21 GLN 32 1HE2 GLN 32 2.788 -0.110 -0.849 211 HE22 GLN 32 2HE2 GLN 32 4.440 -0.612 -0.895 212 H ARG 33 H ARG 33 3.888 5.883 2.644 213 HA ARG 33 HA ARG 33 5.793 7.489 1.489 214 HB2 ARG 33 1HB ARG 33 4.585 7.580 4.250 215 HB3 ARG 33 2HB ARG 33 5.656 8.838 3.646 216 HG2 ARG 33 1HG ARG 33 4.128 9.434 1.931 217 HG3 ARG 33 2HG ARG 33 3.128 8.014 2.244 218 HD2 ARG 33 1HD ARG 33 1.943 9.691 3.305 219 HD3 ARG 33 2HD ARG 33 2.898 9.015 4.624 220 HE ARG 33 HE ARG 33 4.096 11.265 3.256 221 HH11 ARG 33 1HH1 ARG 33 2.112 10.182 5.904 222 HH12 ARG 33 2HH1 ARG 33 2.380 11.604 6.857 223 HH21 ARG 33 1HH2 ARG 33 4.457 13.142 4.502 224 HH22 ARG 33 2HH2 ARG 33 3.713 13.287 6.058 225 H VAL 34 H VAL 34 6.113 5.768 4.596 226 HA VAL 34 HA VAL 34 8.598 6.446 5.398 227 HB VAL 34 HB VAL 34 8.889 4.144 6.287 228 HG11 VAL 34 1HG1 VAL 34 7.172 4.306 7.873 229 HG12 VAL 34 2HG1 VAL 34 7.419 5.963 7.321 230 HG13 VAL 34 3HG1 VAL 34 6.052 5.026 6.718 231 HG21 VAL 34 3HG2 VAL 34 7.279 3.429 4.134 232 HG22 VAL 34 1HG2 VAL 34 7.829 2.378 5.440 233 HG23 VAL 34 2HG2 VAL 34 6.263 3.181 5.554 234 H HIS 35 H HIS 35 7.807 4.615 2.564 235 HA HIS 35 HA HIS 35 10.653 4.051 2.087 236 HB2 HIS 35 1HB HIS 35 8.353 2.923 0.500 237 HB3 HIS 35 2HB HIS 35 10.003 2.317 0.612 238 HD1 HIS 35 HD1 HIS 35 10.449 1.973 3.536 239 HD2 HIS 35 HD2 HIS 35 6.810 1.088 1.736 240 HE1 HIS 35 HE1 HIS 35 9.309 0.352 5.085 241 H SER 36 H SER 36 10.982 6.313 1.529 242 HA SER 36 HA SER 36 10.439 6.770 -1.304 243 HB2 SER 36 1HB SER 36 8.738 7.958 0.313 244 HB3 SER 36 2HB SER 36 10.070 9.086 0.561 245 HG SER 36 HG SER 36 8.410 8.808 -1.575 246 H GLY 37 H GLY 37 11.897 8.237 -2.311 247 HA2 GLY 37 1HA GLY 37 14.536 8.126 -1.233 248 HA3 GLY 37 2HA GLY 37 14.051 8.943 -2.712 249 H GLU 38 H GLU 38 15.295 9.396 0.317 250 HA GLU 38 HA GLU 38 14.206 12.104 0.600 251 HB2 GLU 38 1HB GLU 38 15.572 10.204 2.467 252 HB3 GLU 38 2HB GLU 38 15.630 11.929 2.799 253 HG2 GLU 38 1HG GLU 38 12.999 10.663 2.232 254 HG3 GLU 38 2HG GLU 38 13.749 10.417 3.809 255 H LYS 39 H LYS 39 15.732 13.841 1.185 256 HA LYS 39 HA LYS 39 18.266 13.537 -0.286 257 HB2 LYS 39 1HB LYS 39 16.517 15.160 -1.171 258 HB3 LYS 39 2HB LYS 39 16.834 16.135 0.258 259 HG2 LYS 39 1HG LYS 39 19.257 16.162 -0.456 260 HG3 LYS 39 2HG LYS 39 18.716 15.471 -1.987 261 HD2 LYS 39 1HD LYS 39 18.737 17.746 -2.439 262 HD3 LYS 39 2HD LYS 39 17.049 17.458 -2.008 263 HE2 LYS 39 1HE LYS 39 17.626 19.388 -0.821 264 HE3 LYS 39 2HE LYS 39 17.742 18.095 0.371 265 HZ1 LYS 39 3HZ LYS 39 20.038 19.234 -1.129 266 HZ2 LYS 39 1HZ LYS 39 20.121 18.054 0.081 267 HZ3 LYS 39 2HZ LYS 39 19.630 19.627 0.465 268 HA PRO 40 HA PRO 40 19.455 14.169 4.131 269 HB2 PRO 40 1HB PRO 40 21.555 12.451 4.037 270 HB3 PRO 40 2HB PRO 40 19.899 11.927 4.366 271 HG2 PRO 40 1HG PRO 40 21.443 11.830 1.803 272 HG3 PRO 40 2HG PRO 40 20.385 10.600 2.519 273 HD2 PRO 40 1HD PRO 40 19.573 12.235 0.519 274 HD3 PRO 40 2HD PRO 40 18.466 11.635 1.770 275 H SER 41 H SER 41 21.038 14.453 1.073 276 HA SER 41 HA SER 41 22.616 16.664 2.025 277 HB2 SER 41 1HB SER 41 24.788 15.795 1.501 278 HB3 SER 41 2HB SER 41 24.006 14.624 2.564 279 HG SER 41 HG SER 41 23.317 13.764 0.294 280 H GLY 42 H GLY 42 23.328 18.013 0.370 281 HA2 GLY 42 1HA GLY 42 23.672 17.593 -2.278 282 HA3 GLY 42 2HA GLY 42 21.922 17.673 -2.134 283 HA PRO 43 HA PRO 43 23.398 21.973 -2.876 284 HB2 PRO 43 1HB PRO 43 21.355 22.617 -4.544 285 HB3 PRO 43 2HB PRO 43 22.829 21.813 -5.096 286 HG2 PRO 43 1HG PRO 43 20.152 20.633 -4.461 287 HG3 PRO 43 2HG PRO 43 21.237 20.281 -5.819 288 HD2 PRO 43 1HD PRO 43 21.070 18.687 -3.637 289 HD3 PRO 43 2HD PRO 43 22.575 18.895 -4.555 290 H SER 44 H SER 44 22.244 24.027 -2.489 291 HA SER 44 HA SER 44 20.531 23.788 -0.185 292 HB2 SER 44 1HB SER 44 22.348 25.502 -0.371 293 HB3 SER 44 2HB SER 44 21.402 26.303 -1.625 294 HG SER 44 HG SER 44 19.797 26.706 -0.121 295 H SER 45 H SER 45 19.176 22.667 -2.225 296 HA SER 45 HA SER 45 16.902 24.461 -2.494 297 HB2 SER 45 1HB SER 45 18.555 23.491 -4.776 298 HB3 SER 45 2HB SER 45 16.806 23.529 -4.993 299 HG SER 45 HG SER 45 17.775 25.498 -5.618 300 H GLY 46 H GLY 46 15.379 23.286 -1.521 301 HA2 GLY 46 1HA GLY 46 14.620 20.741 -2.653 302 HA3 GLY 46 2HA GLY 46 15.248 20.626 -1.016 Start of MODEL 8 1 H1 GLY 1 H GLY 1 14.725 -24.847 5.830 2 HA2 GLY 1 1HA GLY 1 13.511 -22.960 5.340 3 HA3 GLY 1 2HA GLY 1 14.952 -22.346 4.544 4 H SER 2 H SER 2 12.623 -24.977 3.922 5 HA SER 2 HA SER 2 12.530 -24.095 1.118 6 HB2 SER 2 1HB SER 2 11.876 -26.327 0.530 7 HB3 SER 2 2HB SER 2 13.249 -26.461 1.629 8 HG SER 2 HG SER 2 11.849 -27.839 2.501 9 H SER 3 H SER 3 10.451 -24.237 0.008 10 HA SER 3 HA SER 3 8.361 -23.074 1.617 11 HB2 SER 3 1HB SER 3 7.261 -22.582 -0.435 12 HB3 SER 3 2HB SER 3 8.981 -22.346 -0.744 13 HG SER 3 HG SER 3 9.044 -24.297 -1.808 14 H GLY 4 H GLY 4 8.797 -25.616 2.521 15 HA2 GLY 4 1HA GLY 4 7.171 -27.600 1.326 16 HA3 GLY 4 2HA GLY 4 7.752 -27.608 2.984 17 H SER 5 H SER 5 6.539 -25.270 3.921 18 HA SER 5 HA SER 5 3.777 -26.203 4.103 19 HB2 SER 5 1HB SER 5 3.616 -24.743 6.065 20 HB3 SER 5 2HB SER 5 5.021 -25.800 6.197 21 HG SER 5 HG SER 5 6.288 -24.118 6.124 22 H SER 6 H SER 6 2.869 -25.458 2.198 23 HA SER 6 HA SER 6 2.851 -22.542 1.804 24 HB2 SER 6 1HB SER 6 2.273 -24.786 -0.142 25 HB3 SER 6 2HB SER 6 2.093 -23.073 -0.517 26 HG SER 6 HG SER 6 4.119 -23.224 -1.059 27 H GLY 7 H GLY 7 1.195 -21.891 3.116 28 HA2 GLY 7 1HA GLY 7 -1.398 -23.239 2.855 29 HA3 GLY 7 2HA GLY 7 -0.954 -22.096 4.114 30 H THR 8 H THR 8 -2.550 -20.615 3.905 31 HA THR 8 HA THR 8 -2.767 -19.266 1.292 32 HB THR 8 HB THR 8 -4.970 -19.514 3.348 33 HG1 THR 8 HG1 THR 8 -5.065 -20.751 0.825 34 HG21 THR 8 3HG2 THR 8 -6.216 -18.881 1.068 35 HG22 THR 8 1HG2 THR 8 -4.670 -18.088 0.765 36 HG23 THR 8 2HG2 THR 8 -5.616 -17.662 2.192 37 H GLY 9 H GLY 9 -2.721 -17.054 1.252 38 HA2 GLY 9 1HA GLY 9 -3.016 -15.446 3.597 39 HA3 GLY 9 2HA GLY 9 -1.325 -15.643 3.158 40 H GLU 10 H GLU 10 -4.430 -14.372 2.130 41 HA GLU 10 HA GLU 10 -3.006 -12.669 0.191 42 HB2 GLU 10 1HB GLU 10 -5.665 -14.044 -0.009 43 HB3 GLU 10 2HB GLU 10 -5.359 -12.573 -0.921 44 HG2 GLU 10 1HG GLU 10 -4.856 -14.289 -2.406 45 HG3 GLU 10 2HG GLU 10 -3.285 -13.757 -1.809 46 H LYS 11 H LYS 11 -4.488 -10.691 -0.371 47 HA LYS 11 HA LYS 11 -6.237 -9.661 1.580 48 HB2 LYS 11 1HB LYS 11 -4.596 -7.794 2.324 49 HB3 LYS 11 2HB LYS 11 -4.517 -9.362 3.116 50 HG2 LYS 11 1HG LYS 11 -2.734 -9.824 1.216 51 HG3 LYS 11 2HG LYS 11 -2.592 -8.065 1.272 52 HD2 LYS 11 1HD LYS 11 -1.733 -8.065 3.391 53 HD3 LYS 11 2HD LYS 11 -2.579 -9.545 3.850 54 HE2 LYS 11 1HE LYS 11 -0.458 -10.364 3.703 55 HE3 LYS 11 2HE LYS 11 -0.966 -10.593 2.030 56 HZ1 LYS 11 3HZ LYS 11 1.279 -9.397 2.637 57 HZ2 LYS 11 1HZ LYS 11 0.272 -8.041 2.742 58 HZ3 LYS 11 2HZ LYS 11 0.361 -8.918 1.299 59 HA PRO 12 HA PRO 12 -7.040 -6.819 -1.666 60 HB2 PRO 12 1HB PRO 12 -8.013 -4.688 -0.294 61 HB3 PRO 12 2HB PRO 12 -8.919 -6.192 -0.501 62 HG2 PRO 12 1HG PRO 12 -7.311 -5.257 1.845 63 HG3 PRO 12 2HG PRO 12 -8.898 -6.048 1.820 64 HD2 PRO 12 1HD PRO 12 -6.611 -7.388 2.370 65 HD3 PRO 12 2HD PRO 12 -7.987 -8.147 1.544 66 H TYR 13 H TYR 13 -4.974 -5.819 0.967 67 HA TYR 13 HA TYR 13 -3.525 -4.070 -0.887 68 HB2 TYR 13 1HB TYR 13 -3.903 -3.206 1.961 69 HB3 TYR 13 2HB TYR 13 -3.465 -2.239 0.557 70 HD1 TYR 13 HD2 TYR 13 -5.186 -1.504 -1.031 71 HD2 TYR 13 HD1 TYR 13 -6.207 -3.678 2.481 72 HE1 TYR 13 HE2 TYR 13 -7.535 -0.828 -1.303 73 HE2 TYR 13 HE1 TYR 13 -8.560 -3.009 2.218 74 HH TYR 13 HH TYR 13 -9.774 -1.641 -0.620 75 H GLU 14 H GLU 14 -1.309 -3.686 -0.286 76 HA GLU 14 HA GLU 14 -0.058 -4.887 1.930 77 HB2 GLU 14 1HB GLU 14 -0.532 -7.012 0.972 78 HB3 GLU 14 2HB GLU 14 -0.049 -6.475 -0.631 79 HG2 GLU 14 1HG GLU 14 2.275 -6.136 0.425 80 HG3 GLU 14 2HG GLU 14 1.665 -7.169 1.717 81 H CYS 15 H CYS 15 2.150 -4.430 2.029 82 HA CYS 15 HA CYS 15 3.013 -2.357 0.194 83 HB2 CYS 15 1HB CYS 15 3.284 -2.494 2.825 84 HB3 CYS 15 2HB CYS 15 4.753 -3.367 2.402 85 H ASP 16 H ASP 16 4.241 -2.719 -1.521 86 HA ASP 16 HA ASP 16 5.400 -5.321 -1.974 87 HB2 ASP 16 1HB ASP 16 4.290 -3.656 -3.686 88 HB3 ASP 16 2HB ASP 16 5.916 -2.984 -3.770 89 H VAL 17 H VAL 17 6.418 -3.189 0.049 90 HA VAL 17 HA VAL 17 9.245 -3.308 -0.783 91 HB VAL 17 HB VAL 17 7.923 -1.281 1.028 92 HG11 VAL 17 1HG1 VAL 17 10.752 -1.226 0.013 93 HG12 VAL 17 2HG1 VAL 17 10.020 -0.238 1.279 94 HG13 VAL 17 3HG1 VAL 17 10.316 -1.955 1.557 95 HG21 VAL 17 3HG2 VAL 17 8.068 0.269 -0.699 96 HG22 VAL 17 1HG2 VAL 17 9.246 -0.691 -1.594 97 HG23 VAL 17 2HG2 VAL 17 7.559 -1.201 -1.530 98 H CYS 18 H CYS 18 6.988 -3.604 1.916 99 HA CYS 18 HA CYS 18 9.067 -5.081 3.395 100 HB2 CYS 18 1HB CYS 18 7.891 -4.355 5.477 101 HB3 CYS 18 2HB CYS 18 8.610 -3.028 4.570 102 H ARG 19 H ARG 19 6.203 -5.341 1.759 103 HA ARG 19 HA ARG 19 4.644 -6.983 1.546 104 HB2 ARG 19 1HB ARG 19 6.852 -8.384 2.995 105 HB3 ARG 19 2HB ARG 19 5.304 -9.199 2.818 106 HG2 ARG 19 1HG ARG 19 6.840 -9.841 1.052 107 HG3 ARG 19 2HG ARG 19 5.453 -8.972 0.395 108 HD2 ARG 19 1HD ARG 19 6.696 -7.144 -0.181 109 HD3 ARG 19 2HD ARG 19 7.865 -7.398 1.113 110 HE ARG 19 HE ARG 19 8.384 -9.475 -0.478 111 HH11 ARG 19 1HH1 ARG 19 7.917 -6.101 -1.198 112 HH12 ARG 19 2HH1 ARG 19 8.965 -6.116 -2.577 113 HH21 ARG 19 1HH2 ARG 19 9.766 -9.508 -2.292 114 HH22 ARG 19 2HH2 ARG 19 10.016 -8.054 -3.199 115 H LYS 20 H LYS 20 4.119 -5.058 3.449 116 HA LYS 20 HA LYS 20 3.161 -6.425 5.837 117 HB2 LYS 20 1HB LYS 20 3.557 -3.591 5.021 118 HB3 LYS 20 2HB LYS 20 2.300 -3.921 6.205 119 HG2 LYS 20 1HG LYS 20 4.073 -5.185 7.512 120 HG3 LYS 20 2HG LYS 20 5.247 -4.438 6.426 121 HD2 LYS 20 1HD LYS 20 3.985 -2.234 7.098 122 HD3 LYS 20 2HD LYS 20 3.511 -3.187 8.505 123 HE2 LYS 20 1HE LYS 20 6.368 -2.907 7.602 124 HE3 LYS 20 2HE LYS 20 5.614 -1.796 8.744 125 HZ1 LYS 20 3HZ LYS 20 6.369 -3.254 10.249 126 HZ2 LYS 20 1HZ LYS 20 6.511 -4.519 9.135 127 HZ3 LYS 20 2HZ LYS 20 5.009 -4.166 9.826 128 H ALA 21 H ALA 21 0.891 -5.408 6.564 129 HA ALA 21 HA ALA 21 -0.969 -5.538 4.294 130 HB1 ALA 21 3HB ALA 21 -0.924 -7.769 5.218 131 HB2 ALA 21 1HB ALA 21 -1.212 -7.137 6.840 132 HB3 ALA 21 2HB ALA 21 -2.464 -7.002 5.605 133 H PHE 22 H PHE 22 -2.910 -4.421 4.566 134 HA PHE 22 HA PHE 22 -3.279 -2.924 7.052 135 HB2 PHE 22 1HB PHE 22 -3.172 -1.647 4.311 136 HB3 PHE 22 2HB PHE 22 -3.652 -0.826 5.792 137 HD1 PHE 22 HD1 PHE 22 -0.813 -2.787 4.384 138 HD2 PHE 22 HD2 PHE 22 -2.067 0.354 6.968 139 HE1 PHE 22 HE1 PHE 22 1.539 -2.210 4.819 140 HE2 PHE 22 HE2 PHE 22 0.283 0.937 7.406 141 HZ PHE 22 HZ PHE 22 2.090 -0.345 6.330 142 H SER 23 H SER 23 -5.414 -1.639 6.912 143 HA SER 23 HA SER 23 -7.429 -3.433 5.742 144 HB2 SER 23 1HB SER 23 -7.595 -3.263 8.156 145 HB3 SER 23 2HB SER 23 -7.623 -1.502 8.066 146 HG SER 23 HG SER 23 -9.720 -2.049 8.207 147 H HIS 24 H HIS 24 -6.637 -0.012 6.221 148 HA HIS 24 HA HIS 24 -8.706 0.753 4.301 149 HB2 HIS 24 1HB HIS 24 -8.123 1.929 6.603 150 HB3 HIS 24 2HB HIS 24 -6.921 2.755 5.616 151 HD1 HIS 24 HD1 HIS 24 -9.029 4.499 6.780 152 HD2 HIS 24 HD2 HIS 24 -9.535 2.558 3.142 153 HE1 HIS 24 HE1 HIS 24 -10.792 5.811 5.558 154 H HIS 25 H HIS 25 -8.226 1.002 2.230 155 HA HIS 25 HA HIS 25 -5.904 0.545 0.952 156 HB2 HIS 25 1HB HIS 25 -8.013 0.974 -0.221 157 HB3 HIS 25 2HB HIS 25 -7.903 2.684 0.186 158 HD1 HIS 25 HD1 HIS 25 -5.920 0.090 -1.762 159 HD2 HIS 25 HD2 HIS 25 -6.664 4.177 -1.706 160 HE1 HIS 25 HE1 HIS 25 -4.762 1.012 -3.795 161 H ALA 26 H ALA 26 -6.942 3.819 1.918 162 HA ALA 26 HA ALA 26 -4.704 5.231 1.152 163 HB1 ALA 26 3HB ALA 26 -5.973 6.856 1.967 164 HB2 ALA 26 1HB ALA 26 -6.971 5.686 2.831 165 HB3 ALA 26 2HB ALA 26 -5.530 6.355 3.599 166 H SER 27 H SER 27 -5.300 3.787 4.358 167 HA SER 27 HA SER 27 -3.091 4.442 5.743 168 HB2 SER 27 1HB SER 27 -4.288 1.666 5.573 169 HB3 SER 27 2HB SER 27 -3.201 2.219 6.847 170 HG SER 27 HG SER 27 -5.096 2.671 7.724 171 H LEU 28 H LEU 28 -3.192 2.359 2.959 172 HA LEU 28 HA LEU 28 -0.524 1.338 3.307 173 HB2 LEU 28 1HB LEU 28 -2.229 0.034 2.151 174 HB3 LEU 28 2HB LEU 28 -2.366 1.288 0.920 175 HG LEU 28 HG LEU 28 0.036 0.818 0.328 176 HD11 LEU 28 1HD1 LEU 28 0.264 -1.822 1.173 177 HD12 LEU 28 2HD1 LEU 28 -0.242 -0.930 2.607 178 HD13 LEU 28 3HD1 LEU 28 1.209 -0.441 1.731 179 HD21 LEU 28 3HD2 LEU 28 -2.243 -0.279 -0.594 180 HD22 LEU 28 1HD2 LEU 28 -1.381 -1.733 -0.090 181 HD23 LEU 28 2HD2 LEU 28 -0.647 -0.634 -1.258 182 H THR 29 H THR 29 -2.040 3.513 0.919 183 HA THR 29 HA THR 29 0.292 4.295 -0.385 184 HB THR 29 HB THR 29 -2.139 4.778 -1.047 185 HG1 THR 29 HG1 THR 29 -1.193 6.001 -2.488 186 HG21 THR 29 3HG2 THR 29 -2.013 6.352 1.281 187 HG22 THR 29 1HG2 THR 29 -3.333 6.257 0.117 188 HG23 THR 29 2HG2 THR 29 -2.076 7.479 -0.074 189 H GLN 30 H GLN 30 -0.856 5.120 2.738 190 HA GLN 30 HA GLN 30 0.773 7.524 2.923 191 HB2 GLN 30 1HB GLN 30 -1.307 6.228 4.606 192 HB3 GLN 30 2HB GLN 30 -0.108 7.218 5.427 193 HG2 GLN 30 1HG GLN 30 -0.781 9.158 4.346 194 HG3 GLN 30 2HG GLN 30 -1.594 8.271 3.057 195 HE21 GLN 30 1HE2 GLN 30 -3.458 9.533 3.416 196 HE22 GLN 30 2HE2 GLN 30 -4.510 9.213 4.749 197 H HIS 31 H HIS 31 0.744 4.203 4.065 198 HA HIS 31 HA HIS 31 2.879 4.457 5.910 199 HB2 HIS 31 1HB HIS 31 1.626 2.539 6.264 200 HB3 HIS 31 2HB HIS 31 1.519 2.166 4.546 201 HD1 HIS 31 HD1 HIS 31 3.789 1.801 7.507 202 HD2 HIS 31 HD2 HIS 31 3.593 0.612 3.531 203 HE1 HIS 31 HE1 HIS 31 5.592 0.069 7.233 204 H GLN 32 H GLN 32 2.766 3.256 2.560 205 HA GLN 32 HA GLN 32 5.306 2.486 2.099 206 HB2 GLN 32 1HB GLN 32 3.571 4.202 0.322 207 HB3 GLN 32 2HB GLN 32 5.065 3.446 -0.218 208 HG2 GLN 32 1HG GLN 32 3.893 1.275 0.710 209 HG3 GLN 32 2HG GLN 32 2.436 2.224 0.416 210 HE21 GLN 32 1HE2 GLN 32 2.968 -0.129 -0.933 211 HE22 GLN 32 2HE2 GLN 32 3.257 0.226 -2.598 212 H ARG 33 H ARG 33 4.210 5.802 2.486 213 HA ARG 33 HA ARG 33 6.202 7.354 1.582 214 HB2 ARG 33 1HB ARG 33 5.032 7.582 4.362 215 HB3 ARG 33 2HB ARG 33 5.827 8.872 3.469 216 HG2 ARG 33 1HG ARG 33 3.326 7.483 2.539 217 HG3 ARG 33 2HG ARG 33 3.340 8.982 3.470 218 HD2 ARG 33 1HD ARG 33 5.010 9.714 1.542 219 HD3 ARG 33 2HD ARG 33 4.122 8.481 0.648 220 HE ARG 33 HE ARG 33 2.127 9.925 1.672 221 HH11 ARG 33 1HH1 ARG 33 5.052 10.890 0.050 222 HH12 ARG 33 2HH1 ARG 33 4.359 12.328 -0.624 223 HH21 ARG 33 1HH2 ARG 33 1.203 11.815 0.791 224 HH22 ARG 33 2HH2 ARG 33 2.170 12.854 -0.201 225 H VAL 34 H VAL 34 6.333 5.714 4.746 226 HA VAL 34 HA VAL 34 8.718 6.431 5.738 227 HB VAL 34 HB VAL 34 8.977 4.252 6.744 228 HG11 VAL 34 1HG1 VAL 34 6.860 4.043 7.833 229 HG12 VAL 34 2HG1 VAL 34 7.119 5.754 7.485 230 HG13 VAL 34 3HG1 VAL 34 6.026 4.802 6.478 231 HG21 VAL 34 3HG2 VAL 34 8.731 2.702 5.022 232 HG22 VAL 34 1HG2 VAL 34 7.294 2.443 6.011 233 HG23 VAL 34 2HG2 VAL 34 7.179 3.367 4.514 234 H HIS 35 H HIS 35 8.280 4.080 3.120 235 HA HIS 35 HA HIS 35 11.125 3.708 2.801 236 HB2 HIS 35 1HB HIS 35 9.026 2.820 0.835 237 HB3 HIS 35 2HB HIS 35 10.594 2.092 1.170 238 HD1 HIS 35 HD1 HIS 35 10.658 1.334 3.946 239 HD2 HIS 35 HD2 HIS 35 7.071 1.278 1.851 240 HE1 HIS 35 HE1 HIS 35 9.153 -0.217 5.232 241 H SER 36 H SER 36 12.421 4.943 1.622 242 HA SER 36 HA SER 36 11.225 6.625 -0.483 243 HB2 SER 36 1HB SER 36 12.031 7.858 1.583 244 HB3 SER 36 2HB SER 36 13.665 7.360 1.142 245 HG SER 36 HG SER 36 13.080 8.366 -0.987 246 H GLY 37 H GLY 37 14.329 5.237 0.602 247 HA2 GLY 37 1HA GLY 37 14.857 3.879 -1.793 248 HA3 GLY 37 2HA GLY 37 15.632 5.454 -1.884 249 H GLU 38 H GLU 38 16.083 5.479 1.052 250 HA GLU 38 HA GLU 38 17.770 4.980 2.494 251 HB2 GLU 38 1HB GLU 38 17.100 2.328 1.293 252 HB3 GLU 38 2HB GLU 38 18.524 2.454 2.316 253 HG2 GLU 38 1HG GLU 38 16.974 3.524 4.038 254 HG3 GLU 38 2HG GLU 38 15.654 2.917 3.041 255 H LYS 39 H LYS 39 18.543 6.210 0.120 256 HA LYS 39 HA LYS 39 20.487 5.183 -1.454 257 HB2 LYS 39 1HB LYS 39 19.635 7.572 -1.388 258 HB3 LYS 39 2HB LYS 39 20.804 7.865 -0.107 259 HG2 LYS 39 1HG LYS 39 21.825 8.611 -2.082 260 HG3 LYS 39 2HG LYS 39 22.574 7.053 -1.725 261 HD2 LYS 39 1HD LYS 39 22.137 6.816 -3.968 262 HD3 LYS 39 2HD LYS 39 20.664 6.135 -3.274 263 HE2 LYS 39 1HE LYS 39 19.889 7.569 -4.944 264 HE3 LYS 39 2HE LYS 39 19.712 8.508 -3.462 265 HZ1 LYS 39 3HZ LYS 39 22.263 8.999 -4.459 266 HZ2 LYS 39 1HZ LYS 39 20.957 10.071 -4.378 267 HZ3 LYS 39 2HZ LYS 39 21.197 9.134 -5.765 268 HA PRO 40 HA PRO 40 23.712 3.750 1.200 269 HB2 PRO 40 1HB PRO 40 25.663 3.518 -0.674 270 HB3 PRO 40 2HB PRO 40 24.317 2.379 -0.542 271 HG2 PRO 40 1HG PRO 40 24.665 4.691 -2.412 272 HG3 PRO 40 2HG PRO 40 24.056 3.060 -2.750 273 HD2 PRO 40 1HD PRO 40 22.415 5.187 -2.413 274 HD3 PRO 40 2HD PRO 40 21.954 3.540 -1.936 275 H SER 41 H SER 41 23.825 5.816 2.343 276 HA SER 41 HA SER 41 25.236 8.056 1.510 277 HB2 SER 41 1HB SER 41 24.573 6.896 4.187 278 HB3 SER 41 2HB SER 41 25.700 8.250 4.103 279 HG SER 41 HG SER 41 23.935 9.202 2.703 280 H GLY 42 H GLY 42 27.339 8.819 2.573 281 HA2 GLY 42 1HA GLY 42 29.326 7.032 3.405 282 HA3 GLY 42 2HA GLY 42 29.445 7.181 1.658 283 HA PRO 43 HA PRO 43 31.887 10.789 2.112 284 HB2 PRO 43 1HB PRO 43 31.171 12.208 -0.089 285 HB3 PRO 43 2HB PRO 43 32.167 10.750 -0.168 286 HG2 PRO 43 1HG PRO 43 29.233 11.068 -0.666 287 HG3 PRO 43 2HG PRO 43 30.427 10.129 -1.580 288 HD2 PRO 43 1HD PRO 43 28.736 8.993 0.204 289 HD3 PRO 43 2HD PRO 43 30.373 8.373 -0.088 290 H SER 44 H SER 44 31.749 12.620 3.261 291 HA SER 44 HA SER 44 29.171 13.647 4.002 292 HB2 SER 44 1HB SER 44 30.355 15.044 5.551 293 HB3 SER 44 2HB SER 44 31.153 13.472 5.558 294 HG SER 44 HG SER 44 32.840 14.303 4.472 295 H SER 45 H SER 45 28.708 16.007 3.951 296 HA SER 45 HA SER 45 28.292 17.916 2.787 297 HB2 SER 45 1HB SER 45 31.154 17.365 2.092 298 HB3 SER 45 2HB SER 45 30.300 18.668 1.265 299 HG SER 45 HG SER 45 30.728 18.376 4.052 300 H GLY 46 H GLY 46 27.159 15.663 1.730 301 HA2 GLY 46 1HA GLY 46 27.658 15.728 -1.156 302 HA3 GLY 46 2HA GLY 46 26.673 14.550 -0.302 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -1.919 -30.348 1.569 2 HA2 GLY 1 1HA GLY 1 -2.559 -28.661 3.900 3 HA3 GLY 1 2HA GLY 1 -0.987 -28.539 3.124 4 H SER 2 H SER 2 -0.852 -27.684 0.998 5 HA SER 2 HA SER 2 -2.855 -25.661 0.496 6 HB2 SER 2 1HB SER 2 -0.257 -26.317 -0.911 7 HB3 SER 2 2HB SER 2 -1.295 -24.955 -1.328 8 HG SER 2 HG SER 2 0.359 -24.322 0.100 9 H SER 3 H SER 3 -4.623 -26.107 -0.625 10 HA SER 3 HA SER 3 -4.583 -28.263 -2.600 11 HB2 SER 3 1HB SER 3 -6.766 -26.815 -1.129 12 HB3 SER 3 2HB SER 3 -7.134 -27.721 -2.596 13 HG SER 3 HG SER 3 -7.375 -29.038 -0.772 14 H GLY 4 H GLY 4 -3.558 -27.321 -4.352 15 HA2 GLY 4 1HA GLY 4 -3.813 -26.368 -6.476 16 HA3 GLY 4 2HA GLY 4 -5.227 -25.502 -5.894 17 H SER 5 H SER 5 -2.890 -24.559 -7.430 18 HA SER 5 HA SER 5 -1.095 -23.085 -5.908 19 HB2 SER 5 1HB SER 5 -1.255 -23.477 -8.497 20 HB3 SER 5 2HB SER 5 -2.160 -21.964 -8.477 21 HG SER 5 HG SER 5 0.532 -22.445 -7.906 22 H SER 6 H SER 6 -1.992 -22.051 -4.162 23 HA SER 6 HA SER 6 -4.317 -20.474 -4.212 24 HB2 SER 6 1HB SER 6 -3.479 -19.550 -2.059 25 HB3 SER 6 2HB SER 6 -3.412 -21.311 -2.116 26 HG SER 6 HG SER 6 -1.174 -21.083 -2.688 27 H GLY 7 H GLY 7 -0.885 -19.552 -4.414 28 HA2 GLY 7 1HA GLY 7 0.014 -17.800 -5.670 29 HA3 GLY 7 2HA GLY 7 -1.616 -17.229 -5.998 30 H THR 8 H THR 8 -0.192 -15.205 -5.530 31 HA THR 8 HA THR 8 -0.078 -14.648 -2.656 32 HB THR 8 HB THR 8 1.134 -12.568 -3.346 33 HG1 THR 8 HG1 THR 8 1.978 -12.926 -5.666 34 HG21 THR 8 3HG2 THR 8 3.137 -13.957 -4.364 35 HG22 THR 8 1HG2 THR 8 2.117 -15.323 -3.915 36 HG23 THR 8 2HG2 THR 8 2.639 -14.170 -2.686 37 H GLY 9 H GLY 9 -1.387 -13.207 -1.669 38 HA2 GLY 9 1HA GLY 9 -2.597 -10.964 -2.473 39 HA3 GLY 9 2HA GLY 9 -3.632 -12.180 -3.206 40 H GLU 10 H GLU 10 -2.014 -11.931 -0.040 41 HA GLU 10 HA GLU 10 -4.130 -13.134 1.372 42 HB2 GLU 10 1HB GLU 10 -1.762 -11.480 2.192 43 HB3 GLU 10 2HB GLU 10 -2.964 -11.967 3.379 44 HG2 GLU 10 1HG GLU 10 -0.965 -13.449 3.225 45 HG3 GLU 10 2HG GLU 10 -2.515 -14.265 3.025 46 H LYS 11 H LYS 11 -3.615 -9.897 0.294 47 HA LYS 11 HA LYS 11 -6.248 -9.127 1.155 48 HB2 LYS 11 1HB LYS 11 -3.800 -8.064 2.504 49 HB3 LYS 11 2HB LYS 11 -5.165 -6.986 2.249 50 HG2 LYS 11 1HG LYS 11 -6.593 -8.710 3.406 51 HG3 LYS 11 2HG LYS 11 -5.092 -9.526 3.852 52 HD2 LYS 11 1HD LYS 11 -5.366 -8.215 5.700 53 HD3 LYS 11 2HD LYS 11 -4.453 -7.093 4.688 54 HE2 LYS 11 1HE LYS 11 -6.243 -5.828 5.521 55 HE3 LYS 11 2HE LYS 11 -6.718 -6.249 3.876 56 HZ1 LYS 11 3HZ LYS 11 -8.290 -6.589 5.989 57 HZ2 LYS 11 1HZ LYS 11 -7.544 -8.107 5.948 58 HZ3 LYS 11 2HZ LYS 11 -8.391 -7.545 4.597 59 HA PRO 12 HA PRO 12 -6.021 -6.525 -2.370 60 HB2 PRO 12 1HB PRO 12 -7.565 -4.417 -1.633 61 HB3 PRO 12 2HB PRO 12 -8.232 -6.010 -2.011 62 HG2 PRO 12 1HG PRO 12 -7.649 -4.787 0.658 63 HG3 PRO 12 2HG PRO 12 -9.062 -5.725 0.142 64 HD2 PRO 12 1HD PRO 12 -7.045 -6.806 1.588 65 HD3 PRO 12 2HD PRO 12 -7.976 -7.741 0.400 66 H TYR 13 H TYR 13 -4.931 -5.348 0.684 67 HA TYR 13 HA TYR 13 -3.332 -3.295 -0.696 68 HB2 TYR 13 1HB TYR 13 -4.224 -2.982 2.158 69 HB3 TYR 13 2HB TYR 13 -3.637 -1.751 1.046 70 HD1 TYR 13 HD2 TYR 13 -5.122 -1.083 -0.900 71 HD2 TYR 13 HD1 TYR 13 -6.524 -3.420 2.367 72 HE1 TYR 13 HE2 TYR 13 -7.439 -0.502 -1.486 73 HE2 TYR 13 HE1 TYR 13 -8.845 -2.846 1.789 74 HH TYR 13 HH TYR 13 -9.585 -0.529 -0.758 75 H GLU 14 H GLU 14 -1.282 -3.919 -0.682 76 HA GLU 14 HA GLU 14 -0.054 -4.746 1.820 77 HB2 GLU 14 1HB GLU 14 -0.703 -6.881 0.904 78 HB3 GLU 14 2HB GLU 14 -0.027 -6.464 -0.664 79 HG2 GLU 14 1HG GLU 14 2.205 -6.248 0.603 80 HG3 GLU 14 2HG GLU 14 1.392 -7.165 1.871 81 H CYS 15 H CYS 15 2.198 -4.454 1.877 82 HA CYS 15 HA CYS 15 3.167 -2.539 -0.088 83 HB2 CYS 15 1HB CYS 15 3.429 -2.102 2.345 84 HB3 CYS 15 2HB CYS 15 4.479 -3.510 2.459 85 H ASP 16 H ASP 16 4.588 -2.988 -1.644 86 HA ASP 16 HA ASP 16 5.545 -5.708 -1.926 87 HB2 ASP 16 1HB ASP 16 4.608 -4.418 -3.851 88 HB3 ASP 16 2HB ASP 16 5.998 -3.341 -3.753 89 H VAL 17 H VAL 17 6.615 -3.860 0.170 90 HA VAL 17 HA VAL 17 9.459 -4.113 -0.552 91 HB VAL 17 HB VAL 17 8.231 -1.870 1.058 92 HG11 VAL 17 1HG1 VAL 17 10.900 -2.917 0.966 93 HG12 VAL 17 2HG1 VAL 17 10.874 -1.272 0.328 94 HG13 VAL 17 3HG1 VAL 17 10.249 -1.602 1.944 95 HG21 VAL 17 3HG2 VAL 17 9.426 -0.618 -0.962 96 HG22 VAL 17 1HG2 VAL 17 9.058 -2.138 -1.778 97 HG23 VAL 17 2HG2 VAL 17 7.759 -1.184 -1.062 98 H CYS 18 H CYS 18 7.172 -3.765 2.151 99 HA CYS 18 HA CYS 18 8.983 -5.416 3.787 100 HB2 CYS 18 1HB CYS 18 7.874 -4.396 5.754 101 HB3 CYS 18 2HB CYS 18 8.678 -3.203 4.739 102 H ARG 19 H ARG 19 6.100 -5.443 2.107 103 HA ARG 19 HA ARG 19 4.368 -6.911 1.971 104 HB2 ARG 19 1HB ARG 19 6.020 -8.639 3.821 105 HB3 ARG 19 2HB ARG 19 4.702 -9.171 2.785 106 HG2 ARG 19 1HG ARG 19 7.239 -7.946 1.736 107 HG3 ARG 19 2HG ARG 19 7.003 -9.682 1.946 108 HD2 ARG 19 1HD ARG 19 4.933 -9.423 0.499 109 HD3 ARG 19 2HD ARG 19 5.526 -7.808 0.115 110 HE ARG 19 HE ARG 19 7.123 -8.747 -1.238 111 HH11 ARG 19 1HH1 ARG 19 5.703 -11.216 0.764 112 HH12 ARG 19 2HH1 ARG 19 6.471 -12.522 -0.077 113 HH21 ARG 19 1HH2 ARG 19 8.139 -10.458 -2.353 114 HH22 ARG 19 2HH2 ARG 19 7.856 -12.090 -1.849 115 H LYS 20 H LYS 20 3.932 -4.884 3.693 116 HA LYS 20 HA LYS 20 2.837 -6.067 6.143 117 HB2 LYS 20 1HB LYS 20 4.323 -3.928 6.057 118 HB3 LYS 20 2HB LYS 20 2.845 -3.127 5.537 119 HG2 LYS 20 1HG LYS 20 1.728 -3.780 7.576 120 HG3 LYS 20 2HG LYS 20 3.147 -4.697 8.089 121 HD2 LYS 20 1HD LYS 20 3.428 -1.795 7.441 122 HD3 LYS 20 2HD LYS 20 2.736 -2.274 8.993 123 HE2 LYS 20 1HE LYS 20 4.831 -3.834 9.108 124 HE3 LYS 20 2HE LYS 20 5.491 -2.708 7.923 125 HZ1 LYS 20 3HZ LYS 20 5.685 -2.359 10.551 126 HZ2 LYS 20 1HZ LYS 20 4.253 -1.506 10.258 127 HZ3 LYS 20 2HZ LYS 20 5.673 -1.080 9.444 128 H ALA 21 H ALA 21 0.722 -6.394 6.387 129 HA ALA 21 HA ALA 21 -1.080 -5.592 4.252 130 HB1 ALA 21 3HB ALA 21 -1.436 -7.809 4.834 131 HB2 ALA 21 1HB ALA 21 -1.279 -7.486 6.561 132 HB3 ALA 21 2HB ALA 21 -2.725 -6.967 5.694 133 H PHE 22 H PHE 22 -2.930 -4.345 4.525 134 HA PHE 22 HA PHE 22 -3.204 -2.934 7.087 135 HB2 PHE 22 1HB PHE 22 -3.270 -1.627 4.359 136 HB3 PHE 22 2HB PHE 22 -3.572 -0.818 5.893 137 HD1 PHE 22 HD1 PHE 22 -0.977 -2.702 4.024 138 HD2 PHE 22 HD2 PHE 22 -1.820 0.128 7.089 139 HE1 PHE 22 HE1 PHE 22 1.427 -2.220 4.236 140 HE2 PHE 22 HE2 PHE 22 0.582 0.615 7.305 141 HZ PHE 22 HZ PHE 22 2.209 -0.559 5.877 142 H SER 23 H SER 23 -5.293 -2.210 7.592 143 HA SER 23 HA SER 23 -7.393 -3.848 6.616 144 HB2 SER 23 1HB SER 23 -7.170 -2.797 8.944 145 HB3 SER 23 2HB SER 23 -7.783 -1.316 8.209 146 HG SER 23 HG SER 23 -9.546 -2.390 8.966 147 H HIS 24 H HIS 24 -6.853 -0.331 6.382 148 HA HIS 24 HA HIS 24 -8.829 -0.206 4.225 149 HB2 HIS 24 1HB HIS 24 -8.791 1.401 6.247 150 HB3 HIS 24 2HB HIS 24 -7.426 2.165 5.437 151 HD1 HIS 24 HD1 HIS 24 -8.686 4.344 4.975 152 HD2 HIS 24 HD2 HIS 24 -10.520 0.985 3.356 153 HE1 HIS 24 HE1 HIS 24 -10.455 5.227 3.420 154 H HIS 25 H HIS 25 -8.289 1.293 2.383 155 HA HIS 25 HA HIS 25 -5.848 0.415 1.171 156 HB2 HIS 25 1HB HIS 25 -6.671 1.308 -0.808 157 HB3 HIS 25 2HB HIS 25 -8.155 0.941 0.065 158 HD1 HIS 25 HD1 HIS 25 -5.968 3.852 -0.909 159 HD2 HIS 25 HD2 HIS 25 -9.755 3.112 0.632 160 HE1 HIS 25 HE1 HIS 25 -7.155 6.069 -0.947 161 H ALA 26 H ALA 26 -7.081 3.517 2.363 162 HA ALA 26 HA ALA 26 -5.042 5.199 1.574 163 HB1 ALA 26 3HB ALA 26 -7.249 5.362 3.283 164 HB2 ALA 26 1HB ALA 26 -5.861 5.860 4.251 165 HB3 ALA 26 2HB ALA 26 -6.219 6.684 2.732 166 H SER 27 H SER 27 -5.249 3.386 4.638 167 HA SER 27 HA SER 27 -2.964 4.133 5.888 168 HB2 SER 27 1HB SER 27 -4.746 2.244 6.427 169 HB3 SER 27 2HB SER 27 -3.493 1.194 5.766 170 HG SER 27 HG SER 27 -3.148 1.395 7.960 171 H LEU 28 H LEU 28 -3.213 2.223 2.993 172 HA LEU 28 HA LEU 28 -0.478 1.333 3.035 173 HB2 LEU 28 1HB LEU 28 -2.263 0.040 1.946 174 HB3 LEU 28 2HB LEU 28 -2.484 1.347 0.784 175 HG LEU 28 HG LEU 28 -0.111 0.948 0.045 176 HD11 LEU 28 1HD1 LEU 28 0.831 -0.201 1.880 177 HD12 LEU 28 2HD1 LEU 28 0.734 -1.373 0.566 178 HD13 LEU 28 3HD1 LEU 28 -0.449 -1.415 1.874 179 HD21 LEU 28 3HD2 LEU 28 -1.057 -0.190 -1.608 180 HD22 LEU 28 1HD2 LEU 28 -2.495 -0.384 -0.604 181 HD23 LEU 28 2HD2 LEU 28 -1.232 -1.615 -0.582 182 H THR 29 H THR 29 -2.298 3.527 0.888 183 HA THR 29 HA THR 29 -0.169 4.525 -0.563 184 HB THR 29 HB THR 29 -2.727 4.971 -0.804 185 HG1 THR 29 HG1 THR 29 -2.154 6.958 -1.965 186 HG21 THR 29 3HG2 THR 29 -2.294 7.660 0.248 187 HG22 THR 29 1HG2 THR 29 -2.309 6.418 1.499 188 HG23 THR 29 2HG2 THR 29 -3.688 6.593 0.413 189 H GLN 30 H GLN 30 -0.956 5.065 2.728 190 HA GLN 30 HA GLN 30 0.605 7.513 2.915 191 HB2 GLN 30 1HB GLN 30 -1.562 6.977 4.225 192 HB3 GLN 30 2HB GLN 30 -0.523 5.997 5.251 193 HG2 GLN 30 1HG GLN 30 0.196 8.838 4.698 194 HG3 GLN 30 2HG GLN 30 -1.048 8.458 5.889 195 HE21 GLN 30 1HE2 GLN 30 0.034 9.055 7.694 196 HE22 GLN 30 2HE2 GLN 30 1.475 8.285 8.257 197 H HIS 31 H HIS 31 0.693 4.231 4.295 198 HA HIS 31 HA HIS 31 3.065 4.415 5.700 199 HB2 HIS 31 1HB HIS 31 1.978 2.426 6.102 200 HB3 HIS 31 2HB HIS 31 1.587 2.172 4.404 201 HD1 HIS 31 HD1 HIS 31 4.071 1.337 6.991 202 HD2 HIS 31 HD2 HIS 31 3.741 1.072 2.858 203 HE1 HIS 31 HE1 HIS 31 5.892 -0.241 6.271 204 H GLN 32 H GLN 32 2.588 3.564 2.289 205 HA GLN 32 HA GLN 32 4.986 2.790 1.410 206 HB2 GLN 32 1HB GLN 32 3.091 4.789 0.216 207 HB3 GLN 32 2HB GLN 32 4.581 4.363 -0.615 208 HG2 GLN 32 1HG GLN 32 2.240 2.612 0.040 209 HG3 GLN 32 2HG GLN 32 2.936 2.981 -1.537 210 HE21 GLN 32 1HE2 GLN 32 2.408 0.415 -0.157 211 HE22 GLN 32 2HE2 GLN 32 3.919 -0.421 -0.159 212 H ARG 33 H ARG 33 4.246 5.989 2.609 213 HA ARG 33 HA ARG 33 6.360 7.489 1.713 214 HB2 ARG 33 1HB ARG 33 4.809 7.481 4.270 215 HB3 ARG 33 2HB ARG 33 6.213 8.530 4.127 216 HG2 ARG 33 1HG ARG 33 5.199 9.523 2.093 217 HG3 ARG 33 2HG ARG 33 3.758 8.547 2.386 218 HD2 ARG 33 1HD ARG 33 3.160 10.514 3.405 219 HD3 ARG 33 2HD ARG 33 3.876 9.644 4.762 220 HE ARG 33 HE ARG 33 5.444 11.286 4.880 221 HH11 ARG 33 1HH1 ARG 33 4.174 11.219 1.639 222 HH12 ARG 33 2HH1 ARG 33 5.097 12.587 1.110 223 HH21 ARG 33 1HH2 ARG 33 6.663 13.088 4.196 224 HH22 ARG 33 2HH2 ARG 33 6.513 13.649 2.565 225 H VAL 34 H VAL 34 6.323 5.509 4.679 226 HA VAL 34 HA VAL 34 8.786 5.881 5.695 227 HB VAL 34 HB VAL 34 8.832 3.489 6.364 228 HG11 VAL 34 1HG1 VAL 34 6.288 5.058 6.677 229 HG12 VAL 34 2HG1 VAL 34 6.574 3.539 7.530 230 HG13 VAL 34 3HG1 VAL 34 7.638 4.919 7.803 231 HG21 VAL 34 3HG2 VAL 34 7.850 1.971 5.073 232 HG22 VAL 34 1HG2 VAL 34 6.283 2.644 5.523 233 HG23 VAL 34 2HG2 VAL 34 7.116 3.234 4.085 234 H HIS 35 H HIS 35 8.065 4.388 2.649 235 HA HIS 35 HA HIS 35 10.885 3.635 2.304 236 HB2 HIS 35 1HB HIS 35 8.548 2.866 0.548 237 HB3 HIS 35 2HB HIS 35 10.173 2.189 0.515 238 HD1 HIS 35 HD1 HIS 35 10.806 1.134 3.087 239 HD2 HIS 35 HD2 HIS 35 6.850 1.212 1.820 240 HE1 HIS 35 HE1 HIS 35 9.616 -0.578 4.493 241 H SER 36 H SER 36 11.830 4.030 0.142 242 HA SER 36 HA SER 36 10.911 6.619 -0.920 243 HB2 SER 36 1HB SER 36 13.110 6.764 0.132 244 HB3 SER 36 2HB SER 36 13.701 5.441 -0.873 245 HG SER 36 HG SER 36 12.993 6.935 -2.676 246 H GLY 37 H GLY 37 10.494 6.830 -3.052 247 HA2 GLY 37 1HA GLY 37 11.029 4.476 -4.758 248 HA3 GLY 37 2HA GLY 37 9.541 5.406 -4.856 249 H GLU 38 H GLU 38 13.068 5.805 -5.131 250 HA GLU 38 HA GLU 38 14.348 7.075 -6.518 251 HB2 GLU 38 1HB GLU 38 11.929 6.531 -8.205 252 HB3 GLU 38 2HB GLU 38 13.196 7.593 -8.802 253 HG2 GLU 38 1HG GLU 38 14.792 5.660 -8.232 254 HG3 GLU 38 2HG GLU 38 13.332 4.673 -8.174 255 H LYS 39 H LYS 39 13.053 8.486 -4.530 256 HA LYS 39 HA LYS 39 12.255 10.987 -5.864 257 HB2 LYS 39 1HB LYS 39 10.634 9.844 -4.258 258 HB3 LYS 39 2HB LYS 39 11.751 10.289 -2.974 259 HG2 LYS 39 1HG LYS 39 10.070 11.942 -3.012 260 HG3 LYS 39 2HG LYS 39 11.504 12.674 -3.736 261 HD2 LYS 39 1HD LYS 39 9.936 13.318 -5.267 262 HD3 LYS 39 2HD LYS 39 10.398 11.763 -5.962 263 HE2 LYS 39 1HE LYS 39 8.202 11.810 -3.959 264 HE3 LYS 39 2HE LYS 39 7.863 12.430 -5.574 265 HZ1 LYS 39 3HZ LYS 39 7.323 10.122 -5.512 266 HZ2 LYS 39 1HZ LYS 39 8.837 9.715 -4.875 267 HZ3 LYS 39 2HZ LYS 39 8.715 10.296 -6.458 268 HA PRO 40 HA PRO 40 16.050 12.766 -4.473 269 HB2 PRO 40 1HB PRO 40 15.383 15.376 -4.807 270 HB3 PRO 40 2HB PRO 40 15.762 14.301 -6.158 271 HG2 PRO 40 1HG PRO 40 13.091 15.151 -5.105 272 HG3 PRO 40 2HG PRO 40 13.637 15.008 -6.786 273 HD2 PRO 40 1HD PRO 40 12.120 13.116 -5.581 274 HD3 PRO 40 2HD PRO 40 13.323 12.725 -6.826 275 H SER 41 H SER 41 13.062 14.345 -3.326 276 HA SER 41 HA SER 41 14.099 15.619 -1.098 277 HB2 SER 41 1HB SER 41 11.352 14.394 -1.450 278 HB3 SER 41 2HB SER 41 11.788 15.546 -0.188 279 HG SER 41 HG SER 41 10.805 16.523 -2.045 280 H GLY 42 H GLY 42 12.849 12.312 -1.388 281 HA2 GLY 42 1HA GLY 42 13.267 11.696 1.381 282 HA3 GLY 42 2HA GLY 42 12.880 10.551 0.105 283 HA PRO 43 HA PRO 43 17.266 9.858 1.508 284 HB2 PRO 43 1HB PRO 43 16.988 7.183 1.884 285 HB3 PRO 43 2HB PRO 43 16.624 8.373 3.139 286 HG2 PRO 43 1HG PRO 43 14.758 6.942 1.287 287 HG3 PRO 43 2HG PRO 43 14.580 7.270 3.021 288 HD2 PRO 43 1HD PRO 43 13.339 8.750 1.124 289 HD3 PRO 43 2HD PRO 43 13.882 9.438 2.668 290 H SER 44 H SER 44 18.798 8.138 0.590 291 HA SER 44 HA SER 44 18.095 7.630 -2.228 292 HB2 SER 44 1HB SER 44 19.866 9.398 -1.801 293 HB3 SER 44 2HB SER 44 20.890 8.103 -1.181 294 HG SER 44 HG SER 44 20.164 7.140 -3.399 295 H SER 45 H SER 45 18.445 5.634 -3.051 296 HA SER 45 HA SER 45 20.056 3.701 -1.601 297 HB2 SER 45 1HB SER 45 18.253 2.047 -1.437 298 HB3 SER 45 2HB SER 45 17.837 3.506 -0.537 299 HG SER 45 HG SER 45 16.849 4.023 -2.802 300 H GLY 46 H GLY 46 20.948 2.188 -2.914 301 HA2 GLY 46 1HA GLY 46 20.733 2.588 -5.743 302 HA3 GLY 46 2HA GLY 46 21.724 1.384 -4.934 Start of MODEL 10 1 H1 GLY 1 H GLY 1 6.959 -30.232 5.658 2 HA2 GLY 1 1HA GLY 1 6.779 -32.800 4.644 3 HA3 GLY 1 2HA GLY 1 7.271 -32.983 6.321 4 H SER 2 H SER 2 4.684 -32.359 4.172 5 HA SER 2 HA SER 2 2.429 -32.292 4.489 6 HB2 SER 2 1HB SER 2 3.078 -34.027 6.311 7 HB3 SER 2 2HB SER 2 2.805 -32.703 7.444 8 HG SER 2 HG SER 2 0.882 -33.417 5.502 9 H SER 3 H SER 3 3.842 -29.911 4.440 10 HA SER 3 HA SER 3 3.379 -28.135 6.537 11 HB2 SER 3 1HB SER 3 3.838 -27.824 3.598 12 HB3 SER 3 2HB SER 3 3.332 -26.415 4.529 13 HG SER 3 HG SER 3 5.400 -27.952 5.579 14 H GLY 4 H GLY 4 1.372 -28.180 7.447 15 HA2 GLY 4 1HA GLY 4 -0.985 -27.919 5.746 16 HA3 GLY 4 2HA GLY 4 -0.979 -28.210 7.479 17 H SER 5 H SER 5 0.714 -25.661 5.705 18 HA SER 5 HA SER 5 0.006 -23.638 7.504 19 HB2 SER 5 1HB SER 5 0.633 -22.115 5.485 20 HB3 SER 5 2HB SER 5 1.876 -23.149 6.190 21 HG SER 5 HG SER 5 0.449 -24.405 4.236 22 H SER 6 H SER 6 -1.433 -24.583 4.410 23 HA SER 6 HA SER 6 -3.275 -23.723 3.303 24 HB2 SER 6 1HB SER 6 -5.315 -24.290 4.481 25 HB3 SER 6 2HB SER 6 -4.096 -25.511 4.842 26 HG SER 6 HG SER 6 -5.136 -23.487 6.488 27 H GLY 7 H GLY 7 -1.768 -21.569 4.115 28 HA2 GLY 7 1HA GLY 7 -2.630 -19.623 5.730 29 HA3 GLY 7 2HA GLY 7 -2.127 -19.271 4.083 30 H THR 8 H THR 8 -4.267 -18.185 5.964 31 HA THR 8 HA THR 8 -6.827 -18.771 5.200 32 HB THR 8 HB THR 8 -5.737 -15.994 5.697 33 HG1 THR 8 HG1 THR 8 -5.487 -17.756 7.357 34 HG21 THR 8 3HG2 THR 8 -8.550 -16.985 6.123 35 HG22 THR 8 1HG2 THR 8 -8.035 -16.171 4.647 36 HG23 THR 8 2HG2 THR 8 -7.961 -15.325 6.193 37 H GLY 9 H GLY 9 -4.870 -16.172 3.719 38 HA2 GLY 9 1HA GLY 9 -5.414 -16.857 1.063 39 HA3 GLY 9 2HA GLY 9 -6.651 -15.721 1.578 40 H GLU 10 H GLU 10 -6.152 -13.862 0.592 41 HA GLU 10 HA GLU 10 -3.560 -12.661 1.214 42 HB2 GLU 10 1HB GLU 10 -4.605 -13.276 -1.509 43 HB3 GLU 10 2HB GLU 10 -3.733 -11.766 -1.282 44 HG2 GLU 10 1HG GLU 10 -1.787 -12.942 -0.514 45 HG3 GLU 10 2HG GLU 10 -2.654 -14.477 -0.549 46 H LYS 11 H LYS 11 -3.547 -10.390 1.203 47 HA LYS 11 HA LYS 11 -6.203 -9.212 1.512 48 HB2 LYS 11 1HB LYS 11 -4.773 -7.238 2.380 49 HB3 LYS 11 2HB LYS 11 -4.900 -8.685 3.371 50 HG2 LYS 11 1HG LYS 11 -2.639 -8.503 1.458 51 HG3 LYS 11 2HG LYS 11 -2.587 -7.505 2.913 52 HD2 LYS 11 1HD LYS 11 -2.586 -9.357 4.330 53 HD3 LYS 11 2HD LYS 11 -3.210 -10.433 3.077 54 HE2 LYS 11 1HE LYS 11 -1.024 -11.076 3.059 55 HE3 LYS 11 2HE LYS 11 -0.941 -9.761 1.889 56 HZ1 LYS 11 3HZ LYS 11 0.813 -9.334 3.315 57 HZ2 LYS 11 1HZ LYS 11 -0.047 -9.789 4.699 58 HZ3 LYS 11 2HZ LYS 11 -0.402 -8.327 3.927 59 HA PRO 12 HA PRO 12 -6.089 -6.953 -2.253 60 HB2 PRO 12 1HB PRO 12 -7.508 -4.747 -1.555 61 HB3 PRO 12 2HB PRO 12 -8.253 -6.331 -1.795 62 HG2 PRO 12 1HG PRO 12 -7.463 -4.977 0.755 63 HG3 PRO 12 2HG PRO 12 -8.938 -5.888 0.382 64 HD2 PRO 12 1HD PRO 12 -6.875 -6.961 1.769 65 HD3 PRO 12 2HD PRO 12 -7.910 -7.926 0.698 66 H TYR 13 H TYR 13 -4.950 -5.464 0.693 67 HA TYR 13 HA TYR 13 -3.232 -3.695 -0.919 68 HB2 TYR 13 1HB TYR 13 -4.094 -2.942 1.854 69 HB3 TYR 13 2HB TYR 13 -3.526 -1.907 0.549 70 HD1 TYR 13 HD2 TYR 13 -5.072 -1.659 -1.501 71 HD2 TYR 13 HD1 TYR 13 -6.380 -3.181 2.251 72 HE1 TYR 13 HE2 TYR 13 -7.398 -1.144 -2.110 73 HE2 TYR 13 HE1 TYR 13 -8.710 -2.671 1.652 74 HH TYR 13 HH TYR 13 -9.798 -0.827 -0.104 75 H GLU 14 H GLU 14 -1.217 -4.414 -0.788 76 HA GLU 14 HA GLU 14 -0.107 -5.038 1.843 77 HB2 GLU 14 1HB GLU 14 -0.655 -7.220 1.064 78 HB3 GLU 14 2HB GLU 14 -0.040 -6.874 -0.547 79 HG2 GLU 14 1HG GLU 14 1.853 -6.691 1.728 80 HG3 GLU 14 2HG GLU 14 1.330 -8.293 1.208 81 H CYS 15 H CYS 15 1.612 -3.792 2.104 82 HA CYS 15 HA CYS 15 2.800 -2.135 0.313 83 HB2 CYS 15 1HB CYS 15 3.217 -2.501 2.877 84 HB3 CYS 15 2HB CYS 15 4.554 -3.502 2.320 85 H ASP 16 H ASP 16 5.053 -2.220 -0.590 86 HA ASP 16 HA ASP 16 5.447 -4.805 -1.935 87 HB2 ASP 16 1HB ASP 16 6.298 -2.020 -2.755 88 HB3 ASP 16 2HB ASP 16 6.683 -3.489 -3.648 89 H VAL 17 H VAL 17 7.047 -2.295 -0.081 90 HA VAL 17 HA VAL 17 9.656 -3.498 -0.307 91 HB VAL 17 HB VAL 17 8.683 -1.317 1.544 92 HG11 VAL 17 1HG1 VAL 17 11.500 -2.138 0.845 93 HG12 VAL 17 2HG1 VAL 17 11.027 -0.812 1.909 94 HG13 VAL 17 3HG1 VAL 17 10.687 -2.480 2.372 95 HG21 VAL 17 3HG2 VAL 17 10.446 -0.310 -0.395 96 HG22 VAL 17 1HG2 VAL 17 9.293 -1.329 -1.258 97 HG23 VAL 17 2HG2 VAL 17 8.715 -0.004 -0.249 98 H CYS 18 H CYS 18 7.560 -2.842 2.508 99 HA CYS 18 HA CYS 18 8.920 -4.895 4.035 100 HB2 CYS 18 1HB CYS 18 7.628 -4.122 5.912 101 HB3 CYS 18 2HB CYS 18 8.226 -2.713 5.042 102 H ARG 19 H ARG 19 6.096 -4.591 2.112 103 HA ARG 19 HA ARG 19 4.446 -6.047 1.537 104 HB2 ARG 19 1HB ARG 19 6.373 -7.993 2.807 105 HB3 ARG 19 2HB ARG 19 4.883 -8.494 2.018 106 HG2 ARG 19 1HG ARG 19 6.384 -8.760 0.317 107 HG3 ARG 19 2HG ARG 19 5.837 -7.111 0.012 108 HD2 ARG 19 1HD ARG 19 8.102 -6.814 -0.112 109 HD3 ARG 19 2HD ARG 19 7.841 -6.505 1.604 110 HE ARG 19 HE ARG 19 8.362 -9.122 1.612 111 HH11 ARG 19 1HH1 ARG 19 9.967 -6.474 0.021 112 HH12 ARG 19 2HH1 ARG 19 11.529 -7.222 0.068 113 HH21 ARG 19 1HH2 ARG 19 10.414 -10.117 1.681 114 HH22 ARG 19 2HH2 ARG 19 11.782 -9.294 1.012 115 H LYS 20 H LYS 20 3.960 -4.565 3.783 116 HA LYS 20 HA LYS 20 2.916 -6.364 5.827 117 HB2 LYS 20 1HB LYS 20 4.152 -4.212 6.364 118 HB3 LYS 20 2HB LYS 20 2.736 -3.353 5.773 119 HG2 LYS 20 1HG LYS 20 1.363 -4.432 7.479 120 HG3 LYS 20 2HG LYS 20 2.782 -5.300 8.071 121 HD2 LYS 20 1HD LYS 20 3.841 -3.239 8.714 122 HD3 LYS 20 2HD LYS 20 2.552 -2.294 7.964 123 HE2 LYS 20 1HE LYS 20 1.049 -3.713 9.614 124 HE3 LYS 20 2HE LYS 20 2.560 -3.824 10.515 125 HZ1 LYS 20 3HZ LYS 20 1.464 -1.237 9.584 126 HZ2 LYS 20 1HZ LYS 20 2.659 -1.507 10.751 127 HZ3 LYS 20 2HZ LYS 20 1.049 -1.905 11.081 128 H ALA 21 H ALA 21 0.704 -6.188 6.566 129 HA ALA 21 HA ALA 21 -1.132 -5.662 4.335 130 HB1 ALA 21 3HB ALA 21 -2.346 -7.434 4.986 131 HB2 ALA 21 1HB ALA 21 -0.885 -7.891 5.863 132 HB3 ALA 21 2HB ALA 21 -2.187 -7.044 6.699 133 H PHE 22 H PHE 22 -2.943 -4.381 4.572 134 HA PHE 22 HA PHE 22 -3.239 -2.937 7.114 135 HB2 PHE 22 1HB PHE 22 -3.264 -1.673 4.365 136 HB3 PHE 22 2HB PHE 22 -3.604 -0.838 5.877 137 HD1 PHE 22 HD1 PHE 22 -0.958 -2.756 4.114 138 HD2 PHE 22 HD2 PHE 22 -1.885 0.150 7.082 139 HE1 PHE 22 HE1 PHE 22 1.439 -2.260 4.371 140 HE2 PHE 22 HE2 PHE 22 0.509 0.652 7.343 141 HZ PHE 22 HZ PHE 22 2.175 -0.552 5.986 142 H SER 23 H SER 23 -5.344 -1.974 7.435 143 HA SER 23 HA SER 23 -7.443 -3.683 6.458 144 HB2 SER 23 1HB SER 23 -7.198 -1.558 8.529 145 HB3 SER 23 2HB SER 23 -8.806 -1.881 7.883 146 HG SER 23 HG SER 23 -8.735 -3.905 8.669 147 H HIS 24 H HIS 24 -6.642 -0.234 6.208 148 HA HIS 24 HA HIS 24 -8.623 0.001 4.042 149 HB2 HIS 24 1HB HIS 24 -8.089 2.562 4.560 150 HB3 HIS 24 2HB HIS 24 -9.292 1.656 5.474 151 HD1 HIS 24 HD1 HIS 24 -6.677 3.920 6.046 152 HD2 HIS 24 HD2 HIS 24 -7.819 0.358 7.854 153 HE1 HIS 24 HE1 HIS 24 -5.628 3.959 8.331 154 H HIS 25 H HIS 25 -8.027 0.765 2.057 155 HA HIS 25 HA HIS 25 -5.515 0.288 1.062 156 HB2 HIS 25 1HB HIS 25 -7.455 0.612 -0.379 157 HB3 HIS 25 2HB HIS 25 -7.533 2.313 0.070 158 HD1 HIS 25 HD1 HIS 25 -5.475 3.812 -0.770 159 HD2 HIS 25 HD2 HIS 25 -5.818 0.048 -2.495 160 HE1 HIS 25 HE1 HIS 25 -4.047 3.888 -2.838 161 H ALA 26 H ALA 26 -6.824 3.451 2.046 162 HA ALA 26 HA ALA 26 -4.734 5.105 1.494 163 HB1 ALA 26 3HB ALA 26 -5.469 6.096 3.905 164 HB2 ALA 26 1HB ALA 26 -6.363 6.356 2.407 165 HB3 ALA 26 2HB ALA 26 -6.860 5.082 3.522 166 H SER 27 H SER 27 -5.131 3.409 4.613 167 HA SER 27 HA SER 27 -2.896 4.083 5.940 168 HB2 SER 27 1HB SER 27 -4.722 2.219 6.403 169 HB3 SER 27 2HB SER 27 -3.455 1.149 5.804 170 HG SER 27 HG SER 27 -2.181 2.620 7.440 171 H LEU 28 H LEU 28 -3.013 2.211 3.023 172 HA LEU 28 HA LEU 28 -0.282 1.295 3.218 173 HB2 LEU 28 1HB LEU 28 -2.083 0.016 2.070 174 HB3 LEU 28 2HB LEU 28 -2.128 1.273 0.835 175 HG LEU 28 HG LEU 28 0.267 0.729 0.325 176 HD11 LEU 28 1HD1 LEU 28 -0.072 -1.897 1.653 177 HD12 LEU 28 2HD1 LEU 28 0.362 -0.522 2.667 178 HD13 LEU 28 3HD1 LEU 28 1.393 -0.977 1.311 179 HD21 LEU 28 3HD2 LEU 28 -1.689 -0.127 -0.968 180 HD22 LEU 28 1HD2 LEU 28 -1.623 -1.596 0.006 181 HD23 LEU 28 2HD2 LEU 28 -0.264 -1.165 -1.034 182 H THR 29 H THR 29 -2.016 3.432 0.944 183 HA THR 29 HA THR 29 0.167 4.412 -0.434 184 HB THR 29 HB THR 29 -2.350 4.839 -0.839 185 HG1 THR 29 HG1 THR 29 -0.206 6.610 -1.292 186 HG21 THR 29 3HG2 THR 29 -1.665 7.135 0.995 187 HG22 THR 29 1HG2 THR 29 -2.921 5.920 1.230 188 HG23 THR 29 2HG2 THR 29 -3.070 7.104 -0.069 189 H GLN 30 H GLN 30 -0.981 5.243 2.749 190 HA GLN 30 HA GLN 30 0.609 7.631 2.971 191 HB2 GLN 30 1HB GLN 30 -1.213 6.092 4.747 192 HB3 GLN 30 2HB GLN 30 -0.010 7.118 5.519 193 HG2 GLN 30 1HG GLN 30 -0.867 9.062 4.444 194 HG3 GLN 30 2HG GLN 30 -1.930 8.095 3.423 195 HE21 GLN 30 1HE2 GLN 30 -2.745 10.230 5.086 196 HE22 GLN 30 2HE2 GLN 30 -3.803 9.589 6.291 197 H HIS 31 H HIS 31 0.701 4.490 4.665 198 HA HIS 31 HA HIS 31 3.120 4.831 5.965 199 HB2 HIS 31 1HB HIS 31 2.015 2.948 6.692 200 HB3 HIS 31 2HB HIS 31 1.557 2.457 5.064 201 HD1 HIS 31 HD1 HIS 31 4.514 2.406 7.410 202 HD2 HIS 31 HD2 HIS 31 3.233 0.633 3.877 203 HE1 HIS 31 HE1 HIS 31 6.177 0.580 6.932 204 H GLN 32 H GLN 32 2.531 3.400 2.764 205 HA GLN 32 HA GLN 32 4.899 2.495 1.949 206 HB2 GLN 32 1HB GLN 32 2.916 4.218 0.514 207 HB3 GLN 32 2HB GLN 32 4.411 3.764 -0.294 208 HG2 GLN 32 1HG GLN 32 3.843 1.377 0.184 209 HG3 GLN 32 2HG GLN 32 2.272 1.933 0.758 210 HE21 GLN 32 1HE2 GLN 32 2.456 0.149 -1.304 211 HE22 GLN 32 2HE2 GLN 32 1.962 0.905 -2.776 212 H ARG 33 H ARG 33 4.171 5.876 2.531 213 HA ARG 33 HA ARG 33 6.186 7.239 1.352 214 HB2 ARG 33 1HB ARG 33 4.884 7.531 4.026 215 HB3 ARG 33 2HB ARG 33 6.258 8.556 3.636 216 HG2 ARG 33 1HG ARG 33 4.947 9.106 1.483 217 HG3 ARG 33 2HG ARG 33 3.559 8.456 2.358 218 HD2 ARG 33 1HD ARG 33 3.388 10.643 2.972 219 HD3 ARG 33 2HD ARG 33 4.460 10.072 4.250 220 HE ARG 33 HE ARG 33 6.184 11.296 3.326 221 HH11 ARG 33 1HH1 ARG 33 3.443 11.271 1.178 222 HH12 ARG 33 2HH1 ARG 33 4.077 12.508 0.144 223 HH21 ARG 33 1HH2 ARG 33 7.029 12.926 1.971 224 HH22 ARG 33 2HH2 ARG 33 6.117 13.448 0.596 225 H VAL 34 H VAL 34 6.467 5.498 4.443 226 HA VAL 34 HA VAL 34 8.999 6.039 5.218 227 HB VAL 34 HB VAL 34 9.159 3.819 6.188 228 HG11 VAL 34 1HG1 VAL 34 6.328 4.856 6.269 229 HG12 VAL 34 2HG1 VAL 34 7.077 3.792 7.461 230 HG13 VAL 34 3HG1 VAL 34 7.670 5.440 7.252 231 HG21 VAL 34 3HG2 VAL 34 8.425 2.524 4.250 232 HG22 VAL 34 1HG2 VAL 34 7.512 2.083 5.692 233 HG23 VAL 34 2HG2 VAL 34 6.780 3.119 4.467 234 H HIS 35 H HIS 35 8.071 3.835 2.614 235 HA HIS 35 HA HIS 35 10.849 3.216 2.027 236 HB2 HIS 35 1HB HIS 35 8.434 2.386 0.421 237 HB3 HIS 35 2HB HIS 35 10.020 1.622 0.465 238 HD1 HIS 35 HD1 HIS 35 10.602 0.783 3.118 239 HD2 HIS 35 HD2 HIS 35 6.646 0.986 1.865 240 HE1 HIS 35 HE1 HIS 35 9.321 -0.703 4.691 241 H SER 36 H SER 36 10.311 5.926 1.781 242 HA SER 36 HA SER 36 10.492 6.302 -1.136 243 HB2 SER 36 1HB SER 36 9.274 8.206 0.880 244 HB3 SER 36 2HB SER 36 9.457 8.521 -0.845 245 HG SER 36 HG SER 36 7.368 7.760 -0.369 246 H GLY 37 H GLY 37 12.387 7.064 -1.791 247 HA2 GLY 37 1HA GLY 37 14.341 8.290 -1.830 248 HA3 GLY 37 2HA GLY 37 13.772 9.150 -0.407 249 H GLU 38 H GLU 38 15.490 9.085 0.924 250 HA GLU 38 HA GLU 38 17.159 6.772 1.179 251 HB2 GLU 38 1HB GLU 38 18.267 8.050 2.977 252 HB3 GLU 38 2HB GLU 38 18.104 8.984 1.496 253 HG2 GLU 38 1HG GLU 38 17.548 10.487 3.172 254 HG3 GLU 38 2HG GLU 38 15.988 9.950 2.551 255 H LYS 39 H LYS 39 17.437 5.475 3.048 256 HA LYS 39 HA LYS 39 15.100 5.409 4.842 257 HB2 LYS 39 1HB LYS 39 15.319 2.947 4.889 258 HB3 LYS 39 2HB LYS 39 14.941 3.558 3.284 259 HG2 LYS 39 1HG LYS 39 17.796 3.135 3.981 260 HG3 LYS 39 2HG LYS 39 16.788 1.719 3.675 261 HD2 LYS 39 1HD LYS 39 16.098 2.800 1.516 262 HD3 LYS 39 2HD LYS 39 17.325 4.032 1.817 263 HE2 LYS 39 1HE LYS 39 17.850 1.068 1.616 264 HE3 LYS 39 2HE LYS 39 18.111 2.232 0.318 265 HZ1 LYS 39 3HZ LYS 39 19.569 1.970 2.872 266 HZ2 LYS 39 1HZ LYS 39 19.602 3.415 1.993 267 HZ3 LYS 39 2HZ LYS 39 20.187 1.989 1.297 268 HA PRO 40 HA PRO 40 17.987 5.647 8.155 269 HB2 PRO 40 1HB PRO 40 16.471 4.566 10.131 270 HB3 PRO 40 2HB PRO 40 16.192 6.186 9.484 271 HG2 PRO 40 1HG PRO 40 14.783 3.623 8.846 272 HG3 PRO 40 2HG PRO 40 14.101 5.237 9.117 273 HD2 PRO 40 1HD PRO 40 14.462 4.206 6.640 274 HD3 PRO 40 2HD PRO 40 14.596 5.943 6.980 275 H SER 41 H SER 41 17.183 2.849 6.619 276 HA SER 41 HA SER 41 18.146 0.907 8.481 277 HB2 SER 41 1HB SER 41 16.578 0.330 6.657 278 HB3 SER 41 2HB SER 41 17.836 0.694 5.475 279 HG SER 41 HG SER 41 17.660 -1.439 7.293 280 H GLY 42 H GLY 42 20.111 -0.230 8.440 281 HA2 GLY 42 1HA GLY 42 22.407 1.327 7.974 282 HA3 GLY 42 2HA GLY 42 22.396 -0.398 8.312 283 HA PRO 43 HA PRO 43 24.078 0.112 4.055 284 HB2 PRO 43 1HB PRO 43 25.967 -1.817 4.337 285 HB3 PRO 43 2HB PRO 43 26.220 -0.143 4.844 286 HG2 PRO 43 1HG PRO 43 25.470 -2.528 6.491 287 HG3 PRO 43 2HG PRO 43 26.636 -1.242 6.851 288 HD2 PRO 43 1HD PRO 43 24.143 -1.285 7.907 289 HD3 PRO 43 2HD PRO 43 24.996 0.226 7.535 290 H SER 44 H SER 44 23.113 -0.917 2.428 291 HA SER 44 HA SER 44 21.357 -3.010 2.642 292 HB2 SER 44 1HB SER 44 23.024 -2.114 0.290 293 HB3 SER 44 2HB SER 44 21.786 -3.362 0.154 294 HG SER 44 HG SER 44 21.519 -0.651 0.344 295 H SER 45 H SER 45 21.491 -5.225 1.791 296 HA SER 45 HA SER 45 24.131 -6.452 1.830 297 HB2 SER 45 1HB SER 45 23.263 -6.418 4.205 298 HB3 SER 45 2HB SER 45 21.958 -7.474 3.666 299 HG SER 45 HG SER 45 24.486 -8.109 4.309 300 H GLY 46 H GLY 46 23.932 -8.871 1.371 301 HA2 GLY 46 1HA GLY 46 22.131 -10.476 0.486 302 HA3 GLY 46 2HA GLY 46 21.865 -9.208 -0.701 Start of MODEL 11 1 H1 GLY 1 H GLY 1 2.912 -33.854 5.890 2 HA2 GLY 1 1HA GLY 1 2.720 -34.604 3.078 3 HA3 GLY 1 2HA GLY 1 1.238 -34.045 3.840 4 H SER 2 H SER 2 0.967 -32.158 2.741 5 HA SER 2 HA SER 2 3.110 -30.316 2.291 6 HB2 SER 2 1HB SER 2 0.114 -30.024 1.988 7 HB3 SER 2 2HB SER 2 1.282 -28.798 1.496 8 HG SER 2 HG SER 2 2.214 -30.447 0.127 9 H SER 3 H SER 3 3.940 -29.925 4.380 10 HA SER 3 HA SER 3 2.209 -28.262 6.091 11 HB2 SER 3 1HB SER 3 3.584 -28.966 7.992 12 HB3 SER 3 2HB SER 3 2.916 -30.372 7.164 13 HG SER 3 HG SER 3 5.010 -30.877 7.396 14 H GLY 4 H GLY 4 2.695 -26.280 5.183 15 HA2 GLY 4 1HA GLY 4 5.014 -24.974 6.125 16 HA3 GLY 4 2HA GLY 4 5.224 -25.369 4.425 17 H SER 5 H SER 5 5.280 -23.180 3.842 18 HA SER 5 HA SER 5 3.729 -21.092 4.483 19 HB2 SER 5 1HB SER 5 5.474 -21.072 2.708 20 HB3 SER 5 2HB SER 5 4.330 -21.849 1.614 21 HG SER 5 HG SER 5 4.595 -19.364 1.768 22 H SER 6 H SER 6 1.730 -20.211 3.910 23 HA SER 6 HA SER 6 -0.298 -22.209 3.272 24 HB2 SER 6 1HB SER 6 -1.910 -20.533 4.057 25 HB3 SER 6 2HB SER 6 -0.636 -20.780 5.252 26 HG SER 6 HG SER 6 0.369 -18.890 4.029 27 H GLY 7 H GLY 7 0.759 -18.998 2.172 28 HA2 GLY 7 1HA GLY 7 0.471 -19.469 -0.538 29 HA3 GLY 7 2HA GLY 7 -1.086 -18.866 0.008 30 H THR 8 H THR 8 -0.241 -17.256 -1.727 31 HA THR 8 HA THR 8 1.159 -15.085 -0.306 32 HB THR 8 HB THR 8 2.620 -15.909 -2.050 33 HG1 THR 8 HG1 THR 8 1.442 -13.541 -3.082 34 HG21 THR 8 3HG2 THR 8 0.152 -16.159 -3.517 35 HG22 THR 8 1HG2 THR 8 1.735 -16.852 -3.867 36 HG23 THR 8 2HG2 THR 8 1.334 -15.235 -4.444 37 H GLY 9 H GLY 9 -0.895 -14.278 0.381 38 HA2 GLY 9 1HA GLY 9 -1.933 -12.134 -0.818 39 HA3 GLY 9 2HA GLY 9 -2.775 -13.420 -1.669 40 H GLU 10 H GLU 10 -2.826 -11.388 0.996 41 HA GLU 10 HA GLU 10 -4.973 -12.990 2.219 42 HB2 GLU 10 1HB GLU 10 -4.299 -12.231 4.420 43 HB3 GLU 10 2HB GLU 10 -2.944 -13.026 3.630 44 HG2 GLU 10 1HG GLU 10 -1.890 -10.945 3.168 45 HG3 GLU 10 2HG GLU 10 -3.315 -10.044 3.682 46 H LYS 11 H LYS 11 -3.755 -9.875 1.269 47 HA LYS 11 HA LYS 11 -6.446 -8.781 1.433 48 HB2 LYS 11 1HB LYS 11 -4.112 -7.771 3.017 49 HB3 LYS 11 2HB LYS 11 -5.321 -6.634 2.436 50 HG2 LYS 11 1HG LYS 11 -7.000 -7.550 3.751 51 HG3 LYS 11 2HG LYS 11 -6.132 -9.072 3.969 52 HD2 LYS 11 1HD LYS 11 -4.397 -7.746 5.248 53 HD3 LYS 11 2HD LYS 11 -5.535 -6.397 5.219 54 HE2 LYS 11 1HE LYS 11 -7.218 -7.894 6.295 55 HE3 LYS 11 2HE LYS 11 -5.956 -9.115 6.454 56 HZ1 LYS 11 3HZ LYS 11 -4.803 -7.839 7.985 57 HZ2 LYS 11 1HZ LYS 11 -6.414 -7.570 8.424 58 HZ3 LYS 11 2HZ LYS 11 -5.572 -6.399 7.540 59 HA PRO 12 HA PRO 12 -5.292 -6.894 -2.363 60 HB2 PRO 12 1HB PRO 12 -6.964 -4.756 -2.375 61 HB3 PRO 12 2HB PRO 12 -7.520 -6.411 -2.647 62 HG2 PRO 12 1HG PRO 12 -7.618 -4.768 -0.147 63 HG3 PRO 12 2HG PRO 12 -8.860 -5.826 -0.840 64 HD2 PRO 12 1HD PRO 12 -7.271 -6.595 1.213 65 HD3 PRO 12 2HD PRO 12 -7.879 -7.736 -0.003 66 H TYR 13 H TYR 13 -5.009 -5.204 0.636 67 HA TYR 13 HA TYR 13 -3.368 -3.118 -0.631 68 HB2 TYR 13 1HB TYR 13 -4.355 -3.082 2.215 69 HB3 TYR 13 2HB TYR 13 -3.787 -1.731 1.240 70 HD1 TYR 13 HD2 TYR 13 -5.244 -1.650 -1.127 71 HD2 TYR 13 HD1 TYR 13 -6.604 -2.987 2.676 72 HE1 TYR 13 HE2 TYR 13 -7.560 -1.146 -1.785 73 HE2 TYR 13 HE1 TYR 13 -8.924 -2.488 2.029 74 HH TYR 13 HH TYR 13 -10.208 -2.305 -0.219 75 H GLU 14 H GLU 14 -1.497 -4.387 -0.860 76 HA GLU 14 HA GLU 14 -0.128 -4.980 1.682 77 HB2 GLU 14 1HB GLU 14 -0.697 -7.061 0.551 78 HB3 GLU 14 2HB GLU 14 0.062 -6.491 -0.929 79 HG2 GLU 14 1HG GLU 14 2.227 -6.409 0.271 80 HG3 GLU 14 2HG GLU 14 1.432 -7.120 1.673 81 H CYS 15 H CYS 15 1.912 -4.226 1.930 82 HA CYS 15 HA CYS 15 2.825 -2.208 0.118 83 HB2 CYS 15 1HB CYS 15 3.089 -2.276 2.681 84 HB3 CYS 15 2HB CYS 15 4.445 -3.359 2.380 85 H ASP 16 H ASP 16 4.286 -2.347 -1.468 86 HA ASP 16 HA ASP 16 5.375 -4.958 -2.116 87 HB2 ASP 16 1HB ASP 16 5.807 -2.413 -3.672 88 HB3 ASP 16 2HB ASP 16 5.870 -4.073 -4.258 89 H VAL 17 H VAL 17 6.357 -3.172 0.148 90 HA VAL 17 HA VAL 17 9.199 -3.148 -0.639 91 HB VAL 17 HB VAL 17 7.826 -1.344 1.359 92 HG11 VAL 17 1HG1 VAL 17 9.896 -1.433 2.285 93 HG12 VAL 17 2HG1 VAL 17 10.671 -1.922 0.777 94 HG13 VAL 17 3HG1 VAL 17 10.231 -0.234 1.037 95 HG21 VAL 17 3HG2 VAL 17 7.530 0.120 -0.288 96 HG22 VAL 17 1HG2 VAL 17 9.219 -0.017 -0.778 97 HG23 VAL 17 2HG2 VAL 17 8.019 -1.135 -1.426 98 H CYS 18 H CYS 18 7.071 -3.358 2.216 99 HA CYS 18 HA CYS 18 9.040 -5.169 3.446 100 HB2 CYS 18 1HB CYS 18 7.867 -4.587 5.598 101 HB3 CYS 18 2HB CYS 18 8.707 -3.244 4.827 102 H ARG 19 H ARG 19 6.153 -5.179 1.833 103 HA ARG 19 HA ARG 19 4.532 -6.739 1.501 104 HB2 ARG 19 1HB ARG 19 6.672 -8.350 2.840 105 HB3 ARG 19 2HB ARG 19 5.097 -9.077 2.550 106 HG2 ARG 19 1HG ARG 19 6.615 -9.628 0.758 107 HG3 ARG 19 2HG ARG 19 5.324 -8.585 0.157 108 HD2 ARG 19 1HD ARG 19 6.898 -6.644 0.493 109 HD3 ARG 19 2HD ARG 19 8.169 -7.830 0.789 110 HE ARG 19 HE ARG 19 6.722 -8.157 -1.695 111 HH11 ARG 19 1HH1 ARG 19 9.482 -6.773 -0.088 112 HH12 ARG 19 2HH1 ARG 19 10.410 -6.608 -1.542 113 HH21 ARG 19 1HH2 ARG 19 7.933 -7.946 -3.616 114 HH22 ARG 19 2HH2 ARG 19 9.528 -7.275 -3.548 115 H LYS 20 H LYS 20 3.963 -4.972 3.458 116 HA LYS 20 HA LYS 20 3.064 -6.437 5.811 117 HB2 LYS 20 1HB LYS 20 3.377 -3.571 5.079 118 HB3 LYS 20 2HB LYS 20 2.138 -3.970 6.262 119 HG2 LYS 20 1HG LYS 20 3.901 -5.170 7.572 120 HG3 LYS 20 2HG LYS 20 5.091 -4.508 6.449 121 HD2 LYS 20 1HD LYS 20 5.165 -2.911 8.084 122 HD3 LYS 20 2HD LYS 20 3.891 -2.237 7.065 123 HE2 LYS 20 1HE LYS 20 2.351 -3.715 8.615 124 HE3 LYS 20 2HE LYS 20 3.707 -3.553 9.730 125 HZ1 LYS 20 3HZ LYS 20 1.836 -1.820 9.804 126 HZ2 LYS 20 1HZ LYS 20 2.558 -1.177 8.415 127 HZ3 LYS 20 2HZ LYS 20 3.436 -1.274 9.857 128 H ALA 21 H ALA 21 0.772 -5.439 6.577 129 HA ALA 21 HA ALA 21 -1.100 -5.614 4.320 130 HB1 ALA 21 3HB ALA 21 -2.577 -7.038 5.797 131 HB2 ALA 21 1HB ALA 21 -1.130 -7.820 5.161 132 HB3 ALA 21 2HB ALA 21 -1.168 -7.262 6.834 133 H PHE 22 H PHE 22 -2.823 -4.273 4.439 134 HA PHE 22 HA PHE 22 -3.311 -2.864 6.972 135 HB2 PHE 22 1HB PHE 22 -3.224 -1.536 4.255 136 HB3 PHE 22 2HB PHE 22 -3.547 -0.746 5.795 137 HD1 PHE 22 HD1 PHE 22 -0.954 -2.544 3.863 138 HD2 PHE 22 HD2 PHE 22 -1.797 0.034 7.143 139 HE1 PHE 22 HE1 PHE 22 1.453 -2.117 4.141 140 HE2 PHE 22 HE2 PHE 22 0.608 0.467 7.425 141 HZ PHE 22 HZ PHE 22 2.237 -0.608 5.923 142 H SER 23 H SER 23 -5.438 -2.119 7.290 143 HA SER 23 HA SER 23 -7.439 -3.757 6.066 144 HB2 SER 23 1HB SER 23 -7.547 -1.537 8.108 145 HB3 SER 23 2HB SER 23 -9.000 -2.336 7.509 146 HG SER 23 HG SER 23 -7.850 -3.173 9.503 147 H HIS 24 H HIS 24 -6.884 -0.238 6.160 148 HA HIS 24 HA HIS 24 -8.782 0.121 3.973 149 HB2 HIS 24 1HB HIS 24 -8.680 1.613 6.060 150 HB3 HIS 24 2HB HIS 24 -7.227 2.306 5.347 151 HD1 HIS 24 HD1 HIS 24 -8.453 4.600 5.151 152 HD2 HIS 24 HD2 HIS 24 -10.151 1.531 2.923 153 HE1 HIS 24 HE1 HIS 24 -10.037 5.725 3.554 154 H HIS 25 H HIS 25 -8.248 0.997 1.980 155 HA HIS 25 HA HIS 25 -5.839 0.241 0.828 156 HB2 HIS 25 1HB HIS 25 -6.564 1.319 -1.128 157 HB3 HIS 25 2HB HIS 25 -8.059 0.890 -0.302 158 HD1 HIS 25 HD1 HIS 25 -9.355 2.869 0.873 159 HD2 HIS 25 HD2 HIS 25 -6.170 4.016 -1.535 160 HE1 HIS 25 HE1 HIS 25 -9.660 5.334 0.484 161 H ALA 26 H ALA 26 -6.844 3.443 1.993 162 HA ALA 26 HA ALA 26 -4.557 4.865 1.265 163 HB1 ALA 26 3HB ALA 26 -5.502 6.594 2.352 164 HB2 ALA 26 1HB ALA 26 -6.898 5.520 2.443 165 HB3 ALA 26 2HB ALA 26 -5.795 5.653 3.814 166 H SER 27 H SER 27 -5.311 3.253 4.349 167 HA SER 27 HA SER 27 -3.165 3.864 5.876 168 HB2 SER 27 1HB SER 27 -4.785 1.381 5.582 169 HB3 SER 27 2HB SER 27 -3.309 1.283 6.543 170 HG SER 27 HG SER 27 -5.310 1.893 7.680 171 H LEU 28 H LEU 28 -3.129 2.028 2.955 172 HA LEU 28 HA LEU 28 -0.477 0.947 3.413 173 HB2 LEU 28 1HB LEU 28 -2.041 -0.424 2.213 174 HB3 LEU 28 2HB LEU 28 -2.330 0.859 1.040 175 HG LEU 28 HG LEU 28 0.028 0.609 0.279 176 HD11 LEU 28 1HD1 LEU 28 -0.006 -1.454 2.419 177 HD12 LEU 28 2HD1 LEU 28 1.277 -0.346 1.934 178 HD13 LEU 28 3HD1 LEU 28 0.929 -1.772 0.957 179 HD21 LEU 28 3HD2 LEU 28 -2.156 -0.761 -0.477 180 HD22 LEU 28 1HD2 LEU 28 -1.105 -2.100 -0.013 181 HD23 LEU 28 2HD2 LEU 28 -0.576 -0.949 -1.240 182 H THR 29 H THR 29 -1.974 3.164 1.056 183 HA THR 29 HA THR 29 0.394 3.975 -0.192 184 HB THR 29 HB THR 29 -2.004 4.411 -0.956 185 HG1 THR 29 HG1 THR 29 -0.299 6.685 -1.049 186 HG21 THR 29 3HG2 THR 29 -3.296 5.935 0.058 187 HG22 THR 29 1HG2 THR 29 -1.970 7.089 0.196 188 HG23 THR 29 2HG2 THR 29 -2.165 5.821 1.406 189 H GLN 30 H GLN 30 -1.068 4.962 2.807 190 HA GLN 30 HA GLN 30 0.435 7.376 3.105 191 HB2 GLN 30 1HB GLN 30 -0.596 7.602 5.183 192 HB3 GLN 30 2HB GLN 30 -1.786 6.706 4.247 193 HG2 GLN 30 1HG GLN 30 -1.246 4.675 5.327 194 HG3 GLN 30 2HG GLN 30 0.203 5.367 6.054 195 HE21 GLN 30 1HE2 GLN 30 -3.314 5.752 5.966 196 HE22 GLN 30 2HE2 GLN 30 -3.479 6.224 7.620 197 H HIS 31 H HIS 31 0.798 4.046 4.215 198 HA HIS 31 HA HIS 31 3.076 4.566 5.851 199 HB2 HIS 31 1HB HIS 31 2.043 2.615 6.506 200 HB3 HIS 31 2HB HIS 31 1.668 2.132 4.855 201 HD1 HIS 31 HD1 HIS 31 4.256 1.832 7.495 202 HD2 HIS 31 HD2 HIS 31 3.765 0.783 3.506 203 HE1 HIS 31 HE1 HIS 31 6.101 0.197 6.998 204 H GLN 32 H GLN 32 2.639 3.253 2.582 205 HA GLN 32 HA GLN 32 5.053 2.440 1.804 206 HB2 GLN 32 1HB GLN 32 3.108 4.223 0.376 207 HB3 GLN 32 2HB GLN 32 4.619 3.762 -0.397 208 HG2 GLN 32 1HG GLN 32 4.044 1.439 -0.271 209 HG3 GLN 32 2HG GLN 32 2.606 1.804 0.681 210 HE21 GLN 32 1HE2 GLN 32 1.937 0.381 -1.293 211 HE22 GLN 32 2HE2 GLN 32 1.307 1.267 -2.635 212 H ARG 33 H ARG 33 4.228 5.768 2.534 213 HA ARG 33 HA ARG 33 6.325 7.173 1.481 214 HB2 ARG 33 1HB ARG 33 4.761 7.473 4.015 215 HB3 ARG 33 2HB ARG 33 6.133 8.533 3.720 216 HG2 ARG 33 1HG ARG 33 5.081 9.176 1.555 217 HG3 ARG 33 2HG ARG 33 3.662 8.240 2.030 218 HD2 ARG 33 1HD ARG 33 3.107 10.397 2.683 219 HD3 ARG 33 2HD ARG 33 3.714 9.675 4.173 220 HE ARG 33 HE ARG 33 5.676 11.108 2.601 221 HH11 ARG 33 1HH1 ARG 33 3.347 11.240 5.186 222 HH12 ARG 33 2HH1 ARG 33 4.066 12.626 5.937 223 HH21 ARG 33 1HH2 ARG 33 6.631 12.933 3.581 224 HH22 ARG 33 2HH2 ARG 33 5.933 13.589 5.023 225 H VAL 34 H VAL 34 6.295 5.494 4.621 226 HA VAL 34 HA VAL 34 8.698 6.065 5.679 227 HB VAL 34 HB VAL 34 8.836 3.775 6.568 228 HG11 VAL 34 1HG1 VAL 34 6.000 4.800 6.539 229 HG12 VAL 34 2HG1 VAL 34 6.747 3.783 7.772 230 HG13 VAL 34 3HG1 VAL 34 7.294 5.446 7.548 231 HG21 VAL 34 3HG2 VAL 34 7.894 1.995 5.597 232 HG22 VAL 34 1HG2 VAL 34 6.356 2.828 5.372 233 HG23 VAL 34 2HG2 VAL 34 7.652 3.035 4.194 234 H HIS 35 H HIS 35 8.161 4.304 2.735 235 HA HIS 35 HA HIS 35 10.997 3.594 2.548 236 HB2 HIS 35 1HB HIS 35 8.825 2.858 0.589 237 HB3 HIS 35 2HB HIS 35 10.401 2.100 0.793 238 HD1 HIS 35 HD1 HIS 35 10.625 1.142 3.481 239 HD2 HIS 35 HD2 HIS 35 6.899 1.310 1.653 240 HE1 HIS 35 HE1 HIS 35 9.174 -0.461 4.765 241 H SER 36 H SER 36 12.294 5.037 1.641 242 HA SER 36 HA SER 36 11.765 7.379 0.452 243 HB2 SER 36 1HB SER 36 13.901 7.114 -0.848 244 HB3 SER 36 2HB SER 36 14.046 6.729 0.866 245 HG SER 36 HG SER 36 14.401 5.130 -1.312 246 H GLY 37 H GLY 37 10.881 8.143 -1.370 247 HA2 GLY 37 1HA GLY 37 10.210 6.179 -3.472 248 HA3 GLY 37 2HA GLY 37 9.220 7.574 -3.072 249 H GLU 38 H GLU 38 9.361 7.962 -5.412 250 HA GLU 38 HA GLU 38 10.313 8.849 -7.309 251 HB2 GLU 38 1HB GLU 38 11.250 10.772 -5.173 252 HB3 GLU 38 2HB GLU 38 11.260 11.112 -6.898 253 HG2 GLU 38 1HG GLU 38 8.997 11.354 -7.011 254 HG3 GLU 38 2HG GLU 38 8.702 10.270 -5.653 255 H LYS 39 H LYS 39 11.881 6.750 -6.391 256 HA LYS 39 HA LYS 39 14.615 7.440 -6.092 257 HB2 LYS 39 1HB LYS 39 15.026 5.036 -6.613 258 HB3 LYS 39 2HB LYS 39 13.852 5.292 -5.329 259 HG2 LYS 39 1HG LYS 39 12.752 3.705 -6.515 260 HG3 LYS 39 2HG LYS 39 12.153 5.138 -7.353 261 HD2 LYS 39 1HD LYS 39 14.069 4.836 -8.974 262 HD3 LYS 39 2HD LYS 39 14.345 3.264 -8.220 263 HE2 LYS 39 1HE LYS 39 11.882 2.796 -8.709 264 HE3 LYS 39 2HE LYS 39 11.946 4.208 -9.763 265 HZ1 LYS 39 3HZ LYS 39 14.136 2.514 -10.305 266 HZ2 LYS 39 1HZ LYS 39 12.880 2.987 -11.336 267 HZ3 LYS 39 2HZ LYS 39 12.706 1.611 -10.368 268 HA PRO 40 HA PRO 40 15.767 8.370 -10.237 269 HB2 PRO 40 1HB PRO 40 18.418 7.803 -10.088 270 HB3 PRO 40 2HB PRO 40 17.699 9.238 -9.348 271 HG2 PRO 40 1HG PRO 40 18.447 6.629 -8.086 272 HG3 PRO 40 2HG PRO 40 18.698 8.276 -7.481 273 HD2 PRO 40 1HD PRO 40 16.679 6.697 -6.609 274 HD3 PRO 40 2HD PRO 40 16.531 8.462 -6.719 275 H SER 41 H SER 41 15.917 5.249 -8.899 276 HA SER 41 HA SER 41 15.862 3.169 -9.824 277 HB2 SER 41 1HB SER 41 14.322 4.238 -11.474 278 HB3 SER 41 2HB SER 41 15.717 4.593 -12.493 279 HG SER 41 HG SER 41 16.112 2.280 -12.477 280 H GLY 42 H GLY 42 18.326 4.217 -9.146 281 HA2 GLY 42 1HA GLY 42 20.354 4.289 -10.986 282 HA3 GLY 42 2HA GLY 42 20.541 3.629 -9.368 283 HA PRO 43 HA PRO 43 20.648 0.340 -12.890 284 HB2 PRO 43 1HB PRO 43 23.274 0.372 -13.575 285 HB3 PRO 43 2HB PRO 43 22.052 1.339 -14.410 286 HG2 PRO 43 1HG PRO 43 23.987 2.161 -12.279 287 HG3 PRO 43 2HG PRO 43 23.523 3.019 -13.760 288 HD2 PRO 43 1HD PRO 43 22.501 3.647 -11.332 289 HD3 PRO 43 2HD PRO 43 21.570 3.821 -12.834 290 H SER 44 H SER 44 21.887 1.036 -9.917 291 HA SER 44 HA SER 44 22.910 -0.143 -8.251 292 HB2 SER 44 1HB SER 44 21.682 -2.518 -9.671 293 HB3 SER 44 2HB SER 44 22.131 -2.422 -7.968 294 HG SER 44 HG SER 44 20.163 -1.750 -7.699 295 H SER 45 H SER 45 24.621 0.432 -10.384 296 HA SER 45 HA SER 45 26.531 -0.232 -11.470 297 HB2 SER 45 1HB SER 45 26.828 -1.500 -8.741 298 HB3 SER 45 2HB SER 45 28.143 -1.390 -9.911 299 HG SER 45 HG SER 45 26.826 0.665 -8.512 300 H GLY 46 H GLY 46 24.394 -1.846 -12.232 301 HA2 GLY 46 1HA GLY 46 25.798 -4.398 -12.683 302 HA3 GLY 46 2HA GLY 46 24.106 -4.390 -12.210 Start of MODEL 12 1 H1 GLY 1 H GLY 1 8.054 -18.984 5.311 2 HA2 GLY 1 1HA GLY 1 5.696 -20.135 6.552 3 HA3 GLY 1 2HA GLY 1 6.107 -18.428 6.471 4 H SER 2 H SER 2 3.556 -18.975 6.050 5 HA SER 2 HA SER 2 3.123 -18.084 3.373 6 HB2 SER 2 1HB SER 2 3.372 -20.466 2.888 7 HB3 SER 2 2HB SER 2 2.162 -20.861 4.109 8 HG SER 2 HG SER 2 0.652 -19.653 2.844 9 H SER 3 H SER 3 1.052 -17.251 3.058 10 HA SER 3 HA SER 3 -0.946 -17.573 5.140 11 HB2 SER 3 1HB SER 3 -1.110 -15.236 5.694 12 HB3 SER 3 2HB SER 3 0.571 -15.721 5.914 13 HG SER 3 HG SER 3 -0.220 -13.717 4.529 14 H GLY 4 H GLY 4 -2.869 -15.986 4.578 15 HA2 GLY 4 1HA GLY 4 -3.699 -14.813 2.442 16 HA3 GLY 4 2HA GLY 4 -3.372 -16.373 1.702 17 H SER 5 H SER 5 -5.429 -14.614 3.914 18 HA SER 5 HA SER 5 -7.104 -16.848 4.549 19 HB2 SER 5 1HB SER 5 -8.582 -15.163 5.578 20 HB3 SER 5 2HB SER 5 -6.906 -14.946 6.084 21 HG SER 5 HG SER 5 -7.631 -13.547 3.820 22 H SER 6 H SER 6 -9.289 -17.152 3.898 23 HA SER 6 HA SER 6 -9.879 -16.030 1.237 24 HB2 SER 6 1HB SER 6 -11.124 -18.125 0.789 25 HB3 SER 6 2HB SER 6 -9.418 -18.424 1.119 26 HG SER 6 HG SER 6 -10.619 -18.519 3.439 27 H GLY 7 H GLY 7 -10.634 -14.633 3.516 28 HA2 GLY 7 1HA GLY 7 -13.128 -13.788 3.149 29 HA3 GLY 7 2HA GLY 7 -13.429 -15.271 4.043 30 H THR 8 H THR 8 -14.435 -13.750 5.577 31 HA THR 8 HA THR 8 -14.448 -12.430 7.447 32 HB THR 8 HB THR 8 -11.895 -13.909 8.097 33 HG1 THR 8 HG1 THR 8 -14.026 -15.084 7.424 34 HG21 THR 8 3HG2 THR 8 -13.196 -13.758 10.413 35 HG22 THR 8 1HG2 THR 8 -13.876 -12.325 9.644 36 HG23 THR 8 2HG2 THR 8 -12.131 -12.468 9.854 37 H GLY 9 H GLY 9 -13.281 -11.116 5.255 38 HA2 GLY 9 1HA GLY 9 -12.449 -8.795 5.698 39 HA3 GLY 9 2HA GLY 9 -11.131 -9.569 6.565 40 H GLU 10 H GLU 10 -11.009 -7.750 4.290 41 HA GLU 10 HA GLU 10 -9.714 -9.540 2.337 42 HB2 GLU 10 1HB GLU 10 -10.216 -7.909 0.603 43 HB3 GLU 10 2HB GLU 10 -11.695 -8.413 1.409 44 HG2 GLU 10 1HG GLU 10 -11.526 -6.340 2.807 45 HG3 GLU 10 2HG GLU 10 -10.209 -5.825 1.755 46 H LYS 11 H LYS 11 -7.589 -9.331 2.174 47 HA LYS 11 HA LYS 11 -6.359 -6.757 2.905 48 HB2 LYS 11 1HB LYS 11 -4.417 -8.101 3.781 49 HB3 LYS 11 2HB LYS 11 -5.891 -8.213 4.733 50 HG2 LYS 11 1HG LYS 11 -6.397 -10.363 3.625 51 HG3 LYS 11 2HG LYS 11 -4.850 -10.257 2.782 52 HD2 LYS 11 1HD LYS 11 -4.849 -9.984 5.742 53 HD3 LYS 11 2HD LYS 11 -5.117 -11.589 5.058 54 HE2 LYS 11 1HE LYS 11 -3.028 -11.617 4.012 55 HE3 LYS 11 2HE LYS 11 -2.837 -9.870 4.143 56 HZ1 LYS 11 3HZ LYS 11 -1.435 -11.062 5.722 57 HZ2 LYS 11 1HZ LYS 11 -2.801 -11.773 6.423 58 HZ3 LYS 11 2HZ LYS 11 -2.573 -10.100 6.523 59 HA PRO 12 HA PRO 12 -5.029 -8.519 -1.303 60 HB2 PRO 12 1HB PRO 12 -6.271 -6.684 -2.872 61 HB3 PRO 12 2HB PRO 12 -7.033 -8.202 -2.381 62 HG2 PRO 12 1HG PRO 12 -7.366 -5.458 -1.233 63 HG3 PRO 12 2HG PRO 12 -8.600 -6.684 -1.577 64 HD2 PRO 12 1HD PRO 12 -7.628 -6.254 0.913 65 HD3 PRO 12 2HD PRO 12 -8.155 -7.856 0.357 66 H TYR 13 H TYR 13 -4.644 -5.881 0.646 67 HA TYR 13 HA TYR 13 -2.930 -4.419 -1.227 68 HB2 TYR 13 1HB TYR 13 -3.690 -3.630 1.589 69 HB3 TYR 13 2HB TYR 13 -2.967 -2.607 0.352 70 HD1 TYR 13 HD1 TYR 13 -6.056 -4.300 1.421 71 HD2 TYR 13 HD2 TYR 13 -4.308 -1.599 -1.363 72 HE1 TYR 13 HE1 TYR 13 -8.301 -3.605 0.695 73 HE2 TYR 13 HE2 TYR 13 -6.548 -0.895 -2.095 74 HH TYR 13 HH TYR 13 -9.477 -2.253 -0.612 75 H GLU 14 H GLU 14 -0.758 -4.293 -1.010 76 HA GLU 14 HA GLU 14 0.557 -5.184 1.410 77 HB2 GLU 14 1HB GLU 14 0.196 -7.299 0.232 78 HB3 GLU 14 2HB GLU 14 0.962 -6.642 -1.207 79 HG2 GLU 14 1HG GLU 14 3.067 -6.418 0.030 80 HG3 GLU 14 2HG GLU 14 2.293 -7.119 1.450 81 H CYS 15 H CYS 15 2.689 -4.487 1.579 82 HA CYS 15 HA CYS 15 3.352 -2.212 -0.026 83 HB2 CYS 15 1HB CYS 15 3.868 -2.757 2.511 84 HB3 CYS 15 2HB CYS 15 5.332 -3.460 1.831 85 H ASP 16 H ASP 16 5.858 -2.083 -0.618 86 HA ASP 16 HA ASP 16 6.477 -4.476 -2.224 87 HB2 ASP 16 1HB ASP 16 7.047 -1.604 -2.984 88 HB3 ASP 16 2HB ASP 16 7.363 -3.032 -3.966 89 H VAL 17 H VAL 17 7.577 -2.115 0.011 90 HA VAL 17 HA VAL 17 10.388 -2.767 -0.383 91 HB VAL 17 HB VAL 17 9.061 -0.895 1.582 92 HG11 VAL 17 1HG1 VAL 17 11.518 -2.074 1.867 93 HG12 VAL 17 2HG1 VAL 17 11.914 -0.555 1.061 94 HG13 VAL 17 3HG1 VAL 17 11.028 -0.541 2.587 95 HG21 VAL 17 3HG2 VAL 17 9.322 -0.529 -1.085 96 HG22 VAL 17 1HG2 VAL 17 9.332 0.779 0.098 97 HG23 VAL 17 2HG2 VAL 17 10.854 0.133 -0.515 98 H CYS 18 H CYS 18 7.891 -3.079 2.118 99 HA CYS 18 HA CYS 18 9.614 -5.043 3.482 100 HB2 CYS 18 1HB CYS 18 8.334 -4.504 5.540 101 HB3 CYS 18 2HB CYS 18 9.208 -3.116 4.898 102 H ARG 19 H ARG 19 7.001 -4.790 1.511 103 HA ARG 19 HA ARG 19 5.204 -6.100 1.004 104 HB2 ARG 19 1HB ARG 19 6.879 -8.268 2.281 105 HB3 ARG 19 2HB ARG 19 5.589 -8.493 1.108 106 HG2 ARG 19 1HG ARG 19 8.226 -7.124 0.620 107 HG3 ARG 19 2HG ARG 19 7.746 -8.723 0.047 108 HD2 ARG 19 1HD ARG 19 5.856 -7.610 -1.173 109 HD3 ARG 19 2HD ARG 19 6.578 -6.061 -0.741 110 HE ARG 19 HE ARG 19 8.218 -6.411 -2.317 111 HH11 ARG 19 1HH1 ARG 19 6.407 -9.344 -1.827 112 HH12 ARG 19 2HH1 ARG 19 7.108 -10.158 -3.187 113 HH21 ARG 19 1HH2 ARG 19 9.148 -7.472 -4.109 114 HH22 ARG 19 2HH2 ARG 19 8.668 -9.092 -4.483 115 H LYS 20 H LYS 20 4.745 -4.697 3.289 116 HA LYS 20 HA LYS 20 3.865 -6.431 5.414 117 HB2 LYS 20 1HB LYS 20 4.713 -4.012 5.631 118 HB3 LYS 20 2HB LYS 20 3.111 -3.534 5.085 119 HG2 LYS 20 1HG LYS 20 2.089 -4.254 7.013 120 HG3 LYS 20 2HG LYS 20 3.367 -5.413 7.385 121 HD2 LYS 20 1HD LYS 20 4.872 -3.597 7.972 122 HD3 LYS 20 2HD LYS 20 3.642 -2.410 7.531 123 HE2 LYS 20 1HE LYS 20 3.304 -4.491 9.687 124 HE3 LYS 20 2HE LYS 20 3.832 -2.835 9.983 125 HZ1 LYS 20 3HZ LYS 20 1.324 -3.329 8.525 126 HZ2 LYS 20 1HZ LYS 20 1.775 -1.990 9.457 127 HZ3 LYS 20 2HZ LYS 20 1.346 -3.441 10.213 128 H ALA 21 H ALA 21 1.555 -6.089 6.261 129 HA ALA 21 HA ALA 21 -0.315 -6.237 3.985 130 HB1 ALA 21 3HB ALA 21 -0.055 -7.919 6.429 131 HB2 ALA 21 1HB ALA 21 -1.655 -7.672 5.728 132 HB3 ALA 21 2HB ALA 21 -0.369 -8.393 4.759 133 H PHE 22 H PHE 22 -2.234 -5.151 4.114 134 HA PHE 22 HA PHE 22 -2.837 -3.700 6.590 135 HB2 PHE 22 1HB PHE 22 -2.844 -2.425 3.846 136 HB3 PHE 22 2HB PHE 22 -3.263 -1.638 5.364 137 HD1 PHE 22 HD1 PHE 22 -0.509 -3.079 3.393 138 HD2 PHE 22 HD2 PHE 22 -1.589 -0.806 6.826 139 HE1 PHE 22 HE1 PHE 22 1.842 -2.417 3.690 140 HE2 PHE 22 HE2 PHE 22 0.760 -0.140 7.128 141 HZ PHE 22 HZ PHE 22 2.479 -0.945 5.559 142 H SER 23 H SER 23 -5.062 -2.696 6.491 143 HA SER 23 HA SER 23 -6.883 -4.410 4.931 144 HB2 SER 23 1HB SER 23 -8.456 -4.314 6.841 145 HB3 SER 23 2HB SER 23 -6.929 -5.079 7.280 146 HG SER 23 HG SER 23 -6.535 -2.588 7.798 147 H HIS 24 H HIS 24 -5.895 -1.851 4.138 148 HA HIS 24 HA HIS 24 -8.318 -0.592 3.421 149 HB2 HIS 24 1HB HIS 24 -7.805 0.094 5.929 150 HB3 HIS 24 2HB HIS 24 -6.717 1.241 5.151 151 HD1 HIS 24 HD1 HIS 24 -8.277 2.308 2.864 152 HD2 HIS 24 HD2 HIS 24 -10.047 1.466 6.527 153 HE1 HIS 24 HE1 HIS 24 -10.369 3.702 2.936 154 H HIS 25 H HIS 25 -7.842 -0.011 1.416 155 HA HIS 25 HA HIS 25 -5.526 0.122 0.105 156 HB2 HIS 25 1HB HIS 25 -7.704 0.559 -0.953 157 HB3 HIS 25 2HB HIS 25 -7.736 2.163 -0.224 158 HD1 HIS 25 HD1 HIS 25 -7.407 0.996 -3.376 159 HD2 HIS 25 HD2 HIS 25 -4.823 3.273 -1.053 160 HE1 HIS 25 HE1 HIS 25 -5.905 2.181 -5.007 161 H ALA 26 H ALA 26 -6.860 2.882 1.912 162 HA ALA 26 HA ALA 26 -4.700 4.628 1.426 163 HB1 ALA 26 3HB ALA 26 -5.749 5.445 3.839 164 HB2 ALA 26 1HB ALA 26 -6.298 5.952 2.242 165 HB3 ALA 26 2HB ALA 26 -7.099 4.614 3.067 166 H SER 27 H SER 27 -5.432 2.497 4.175 167 HA SER 27 HA SER 27 -3.384 3.140 5.881 168 HB2 SER 27 1HB SER 27 -4.721 0.510 5.285 169 HB3 SER 27 2HB SER 27 -3.450 0.629 6.502 170 HG SER 27 HG SER 27 -5.500 2.504 6.631 171 H LEU 28 H LEU 28 -3.146 1.721 2.781 172 HA LEU 28 HA LEU 28 -0.503 0.604 3.236 173 HB2 LEU 28 1HB LEU 28 -2.057 -0.572 1.777 174 HB3 LEU 28 2HB LEU 28 -2.161 0.840 0.728 175 HG LEU 28 HG LEU 28 0.290 0.540 0.252 176 HD11 LEU 28 1HD1 LEU 28 0.385 -1.049 2.380 177 HD12 LEU 28 2HD1 LEU 28 1.491 -1.226 1.018 178 HD13 LEU 28 3HD1 LEU 28 0.080 -2.275 1.149 179 HD21 LEU 28 3HD2 LEU 28 -0.135 -0.869 -1.512 180 HD22 LEU 28 1HD2 LEU 28 -1.772 -0.378 -1.075 181 HD23 LEU 28 2HD2 LEU 28 -1.152 -1.944 -0.552 182 H THR 29 H THR 29 -1.931 3.106 1.137 183 HA THR 29 HA THR 29 0.465 4.108 0.109 184 HB THR 29 HB THR 29 -2.001 4.635 -0.559 185 HG1 THR 29 HG1 THR 29 -0.842 5.774 -1.904 186 HG21 THR 29 3HG2 THR 29 -2.648 5.634 1.584 187 HG22 THR 29 1HG2 THR 29 -2.801 6.795 0.266 188 HG23 THR 29 2HG2 THR 29 -1.428 6.888 1.370 189 H GLN 30 H GLN 30 -1.355 5.033 3.003 190 HA GLN 30 HA GLN 30 0.119 7.268 3.752 191 HB2 GLN 30 1HB GLN 30 -0.936 7.127 5.810 192 HB3 GLN 30 2HB GLN 30 -2.038 6.229 4.774 193 HG2 GLN 30 1HG GLN 30 -1.232 4.146 5.588 194 HG3 GLN 30 2HG GLN 30 0.095 4.929 6.445 195 HE21 GLN 30 1HE2 GLN 30 -0.363 6.135 8.319 196 HE22 GLN 30 2HE2 GLN 30 -1.815 5.878 9.218 197 H HIS 31 H HIS 31 0.714 3.843 4.389 198 HA HIS 31 HA HIS 31 2.991 4.305 6.053 199 HB2 HIS 31 1HB HIS 31 2.084 2.238 6.501 200 HB3 HIS 31 2HB HIS 31 1.693 1.924 4.812 201 HD1 HIS 31 HD1 HIS 31 4.618 1.865 7.198 202 HD2 HIS 31 HD2 HIS 31 3.567 0.463 3.431 203 HE1 HIS 31 HE1 HIS 31 6.469 0.303 6.521 204 H GLN 32 H GLN 32 2.574 3.259 2.680 205 HA GLN 32 HA GLN 32 5.078 2.757 1.846 206 HB2 GLN 32 1HB GLN 32 2.842 4.245 0.529 207 HB3 GLN 32 2HB GLN 32 4.394 4.127 -0.289 208 HG2 GLN 32 1HG GLN 32 4.228 1.631 0.016 209 HG3 GLN 32 2HG GLN 32 2.561 1.894 0.525 210 HE21 GLN 32 1HE2 GLN 32 3.168 0.327 -1.647 211 HE22 GLN 32 2HE2 GLN 32 2.625 1.107 -3.090 212 H ARG 33 H ARG 33 3.838 5.892 2.766 213 HA ARG 33 HA ARG 33 5.673 7.627 1.705 214 HB2 ARG 33 1HB ARG 33 4.209 7.596 4.321 215 HB3 ARG 33 2HB ARG 33 5.378 8.867 3.986 216 HG2 ARG 33 1HG ARG 33 4.130 9.521 2.006 217 HG3 ARG 33 2HG ARG 33 2.976 8.217 2.291 218 HD2 ARG 33 1HD ARG 33 1.925 10.108 3.168 219 HD3 ARG 33 2HD ARG 33 2.605 9.300 4.580 220 HE ARG 33 HE ARG 33 4.509 11.112 3.730 221 HH11 ARG 33 1HH1 ARG 33 1.224 11.205 4.879 222 HH12 ARG 33 2HH1 ARG 33 1.379 12.778 5.588 223 HH21 ARG 33 1HH2 ARG 33 4.725 13.184 4.660 224 HH22 ARG 33 2HH2 ARG 33 3.370 13.903 5.462 225 H VAL 34 H VAL 34 6.014 5.722 4.683 226 HA VAL 34 HA VAL 34 8.374 6.622 5.688 227 HB VAL 34 HB VAL 34 8.809 4.385 6.557 228 HG11 VAL 34 1HG1 VAL 34 5.933 5.267 6.548 229 HG12 VAL 34 2HG1 VAL 34 6.531 3.956 7.568 230 HG13 VAL 34 3HG1 VAL 34 7.169 5.589 7.764 231 HG21 VAL 34 3HG2 VAL 34 6.927 2.664 5.824 232 HG22 VAL 34 1HG2 VAL 34 7.006 3.601 4.333 233 HG23 VAL 34 2HG2 VAL 34 8.453 2.805 4.952 234 H HIS 35 H HIS 35 7.953 4.477 2.916 235 HA HIS 35 HA HIS 35 10.822 4.257 2.522 236 HB2 HIS 35 1HB HIS 35 8.665 3.251 0.669 237 HB3 HIS 35 2HB HIS 35 10.327 2.686 0.805 238 HD1 HIS 35 HD1 HIS 35 10.719 1.906 3.587 239 HD2 HIS 35 HD2 HIS 35 7.044 1.380 1.722 240 HE1 HIS 35 HE1 HIS 35 9.540 0.125 4.915 241 H SER 36 H SER 36 9.777 6.892 2.377 242 HA SER 36 HA SER 36 9.711 7.556 -0.460 243 HB2 SER 36 1HB SER 36 9.182 9.829 0.285 244 HB3 SER 36 2HB SER 36 8.115 8.662 1.065 245 HG SER 36 HG SER 36 9.785 10.419 2.196 246 H GLY 37 H GLY 37 11.712 8.129 2.403 247 HA2 GLY 37 1HA GLY 37 14.102 8.181 2.238 248 HA3 GLY 37 2HA GLY 37 13.939 8.793 0.599 249 H GLU 38 H GLU 38 14.551 9.605 3.791 250 HA GLU 38 HA GLU 38 13.680 12.373 3.525 251 HB2 GLU 38 1HB GLU 38 13.615 10.831 5.672 252 HB3 GLU 38 2HB GLU 38 15.269 11.398 5.857 253 HG2 GLU 38 1HG GLU 38 12.995 13.307 5.461 254 HG3 GLU 38 2HG GLU 38 13.412 12.678 7.054 255 H LYS 39 H LYS 39 15.626 11.615 1.674 256 HA LYS 39 HA LYS 39 17.653 13.574 2.243 257 HB2 LYS 39 1HB LYS 39 19.571 12.097 1.980 258 HB3 LYS 39 2HB LYS 39 18.597 11.590 3.354 259 HG2 LYS 39 1HG LYS 39 17.632 9.796 2.052 260 HG3 LYS 39 2HG LYS 39 18.508 10.335 0.617 261 HD2 LYS 39 1HD LYS 39 20.632 9.885 1.751 262 HD3 LYS 39 2HD LYS 39 19.754 9.345 3.183 263 HE2 LYS 39 1HE LYS 39 18.951 7.433 2.114 264 HE3 LYS 39 2HE LYS 39 19.269 8.085 0.507 265 HZ1 LYS 39 3HZ LYS 39 20.900 6.419 1.994 266 HZ2 LYS 39 1HZ LYS 39 21.672 7.924 1.987 267 HZ3 LYS 39 2HZ LYS 39 21.272 7.173 0.526 268 HA PRO 40 HA PRO 40 17.490 14.044 -2.121 269 HB2 PRO 40 1HB PRO 40 19.954 15.071 -2.616 270 HB3 PRO 40 2HB PRO 40 18.669 15.995 -1.829 271 HG2 PRO 40 1HG PRO 40 20.994 14.560 -0.604 272 HG3 PRO 40 2HG PRO 40 20.335 16.159 -0.214 273 HD2 PRO 40 1HD PRO 40 19.793 13.959 1.269 274 HD3 PRO 40 2HD PRO 40 18.628 15.283 1.064 275 H SER 41 H SER 41 19.441 11.768 -0.639 276 HA SER 41 HA SER 41 20.541 10.789 -3.181 277 HB2 SER 41 1HB SER 41 21.242 10.101 -0.319 278 HB3 SER 41 2HB SER 41 21.948 9.310 -1.728 279 HG SER 41 HG SER 41 23.228 11.055 -0.916 280 H GLY 42 H GLY 42 20.542 8.392 -3.469 281 HA2 GLY 42 1HA GLY 42 19.477 6.283 -2.716 282 HA3 GLY 42 2HA GLY 42 18.029 7.236 -2.427 283 HA PRO 43 HA PRO 43 18.400 5.524 -6.900 284 HB2 PRO 43 1HB PRO 43 17.041 3.187 -6.644 285 HB3 PRO 43 2HB PRO 43 18.796 3.303 -6.463 286 HG2 PRO 43 1HG PRO 43 16.676 3.206 -4.351 287 HG3 PRO 43 2HG PRO 43 18.238 2.367 -4.409 288 HD2 PRO 43 1HD PRO 43 17.842 4.610 -2.944 289 HD3 PRO 43 2HD PRO 43 19.403 4.223 -3.695 290 H SER 44 H SER 44 16.325 4.570 -8.137 291 HA SER 44 HA SER 44 13.963 6.008 -7.120 292 HB2 SER 44 1HB SER 44 15.125 7.221 -8.991 293 HB3 SER 44 2HB SER 44 14.771 5.841 -10.031 294 HG SER 44 HG SER 44 12.996 7.686 -8.858 295 H SER 45 H SER 45 11.928 5.304 -8.321 296 HA SER 45 HA SER 45 12.000 2.509 -9.166 297 HB2 SER 45 1HB SER 45 10.535 3.559 -6.759 298 HB3 SER 45 2HB SER 45 9.934 2.151 -7.635 299 HG SER 45 HG SER 45 11.359 1.629 -5.879 300 H GLY 46 H GLY 46 9.973 1.802 -10.162 301 HA2 GLY 46 1HA GLY 46 7.673 2.891 -10.738 302 HA3 GLY 46 2HA GLY 46 8.707 4.046 -11.566 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -10.912 -31.591 -6.041 2 HA2 GLY 1 1HA GLY 1 -10.807 -29.313 -4.500 3 HA3 GLY 1 2HA GLY 1 -11.104 -30.918 -3.851 4 H SER 2 H SER 2 -9.933 -30.957 -2.025 5 HA SER 2 HA SER 2 -8.164 -30.763 -0.589 6 HB2 SER 2 1HB SER 2 -7.592 -32.678 -2.285 7 HB3 SER 2 2HB SER 2 -6.361 -31.550 -2.852 8 HG SER 2 HG SER 2 -6.567 -32.896 -0.417 9 H SER 3 H SER 3 -8.827 -28.314 -1.723 10 HA SER 3 HA SER 3 -6.563 -26.970 -2.803 11 HB2 SER 3 1HB SER 3 -8.795 -26.113 -3.222 12 HB3 SER 3 2HB SER 3 -9.072 -25.895 -1.494 13 HG SER 3 HG SER 3 -6.843 -24.640 -2.590 14 H GLY 4 H GLY 4 -5.057 -25.659 -1.830 15 HA2 GLY 4 1HA GLY 4 -5.085 -24.700 0.781 16 HA3 GLY 4 2HA GLY 4 -4.327 -26.285 0.837 17 H SER 5 H SER 5 -3.679 -23.094 0.673 18 HA SER 5 HA SER 5 -1.055 -23.593 -0.549 19 HB2 SER 5 1HB SER 5 -2.865 -21.230 -1.090 20 HB3 SER 5 2HB SER 5 -1.159 -21.277 -1.532 21 HG SER 5 HG SER 5 -1.804 -23.328 -2.651 22 H SER 6 H SER 6 0.459 -21.676 -0.046 23 HA SER 6 HA SER 6 0.435 -21.332 2.821 24 HB2 SER 6 1HB SER 6 2.408 -20.682 0.642 25 HB3 SER 6 2HB SER 6 2.636 -20.082 2.284 26 HG SER 6 HG SER 6 3.209 -22.010 2.893 27 H GLY 7 H GLY 7 -1.427 -19.968 3.016 28 HA2 GLY 7 1HA GLY 7 -0.976 -17.322 3.472 29 HA3 GLY 7 2HA GLY 7 -1.444 -17.368 1.779 30 H THR 8 H THR 8 -2.517 -17.469 5.026 31 HA THR 8 HA THR 8 -5.175 -18.423 4.407 32 HB THR 8 HB THR 8 -4.203 -17.139 6.966 33 HG1 THR 8 HG1 THR 8 -4.222 -19.545 7.528 34 HG21 THR 8 3HG2 THR 8 -6.362 -19.171 6.890 35 HG22 THR 8 1HG2 THR 8 -6.753 -17.563 6.282 36 HG23 THR 8 2HG2 THR 8 -6.168 -17.763 7.934 37 H GLY 9 H GLY 9 -6.693 -17.182 3.535 38 HA2 GLY 9 1HA GLY 9 -7.795 -15.297 2.799 39 HA3 GLY 9 2HA GLY 9 -7.667 -14.812 4.484 40 H GLU 10 H GLU 10 -6.446 -14.383 1.275 41 HA GLU 10 HA GLU 10 -4.152 -12.863 1.847 42 HB2 GLU 10 1HB GLU 10 -4.371 -12.025 -0.466 43 HB3 GLU 10 2HB GLU 10 -4.539 -13.772 -0.367 44 HG2 GLU 10 1HG GLU 10 -6.928 -13.606 -0.583 45 HG3 GLU 10 2HG GLU 10 -6.844 -11.846 -0.529 46 H LYS 11 H LYS 11 -4.232 -10.464 0.723 47 HA LYS 11 HA LYS 11 -6.402 -8.979 2.038 48 HB2 LYS 11 1HB LYS 11 -4.832 -7.335 2.878 49 HB3 LYS 11 2HB LYS 11 -4.386 -8.930 3.469 50 HG2 LYS 11 1HG LYS 11 -3.108 -7.937 0.975 51 HG3 LYS 11 2HG LYS 11 -2.590 -7.263 2.522 52 HD2 LYS 11 1HD LYS 11 -2.773 -10.228 2.108 53 HD3 LYS 11 2HD LYS 11 -1.346 -9.323 1.596 54 HE2 LYS 11 1HE LYS 11 -0.944 -8.571 3.834 55 HE3 LYS 11 2HE LYS 11 -2.479 -9.238 4.388 56 HZ1 LYS 11 3HZ LYS 11 -1.453 -11.447 3.520 57 HZ2 LYS 11 1HZ LYS 11 -1.012 -10.851 5.040 58 HZ3 LYS 11 2HZ LYS 11 0.017 -10.632 3.715 59 HA PRO 12 HA PRO 12 -6.721 -6.887 -1.823 60 HB2 PRO 12 1HB PRO 12 -7.989 -4.636 -0.987 61 HB3 PRO 12 2HB PRO 12 -8.796 -6.204 -1.110 62 HG2 PRO 12 1HG PRO 12 -7.663 -4.841 1.302 63 HG3 PRO 12 2HG PRO 12 -9.195 -5.718 1.128 64 HD2 PRO 12 1HD PRO 12 -7.003 -6.828 2.265 65 HD3 PRO 12 2HD PRO 12 -8.186 -7.779 1.344 66 H TYR 13 H TYR 13 -4.901 -5.710 0.814 67 HA TYR 13 HA TYR 13 -3.373 -3.993 -0.984 68 HB2 TYR 13 1HB TYR 13 -4.123 -2.961 1.741 69 HB3 TYR 13 2HB TYR 13 -3.449 -2.073 0.379 70 HD1 TYR 13 HD2 TYR 13 -4.907 -1.638 -1.628 71 HD2 TYR 13 HD1 TYR 13 -6.458 -3.168 2.027 72 HE1 TYR 13 HE2 TYR 13 -7.171 -0.965 -2.314 73 HE2 TYR 13 HE1 TYR 13 -8.727 -2.500 1.351 74 HH TYR 13 HH TYR 13 -9.712 -0.701 -0.262 75 H GLU 14 H GLU 14 -1.275 -4.391 -0.770 76 HA GLU 14 HA GLU 14 -0.107 -4.956 1.814 77 HB2 GLU 14 1HB GLU 14 -0.811 -7.183 1.204 78 HB3 GLU 14 2HB GLU 14 -0.106 -7.014 -0.397 79 HG2 GLU 14 1HG GLU 14 2.117 -6.679 0.859 80 HG3 GLU 14 2HG GLU 14 1.265 -7.380 2.233 81 H CYS 15 H CYS 15 1.703 -3.820 1.893 82 HA CYS 15 HA CYS 15 2.841 -2.431 -0.207 83 HB2 CYS 15 1HB CYS 15 3.229 -2.175 2.323 84 HB3 CYS 15 2HB CYS 15 4.468 -3.412 2.131 85 H ASP 16 H ASP 16 5.179 -2.698 -0.951 86 HA ASP 16 HA ASP 16 5.634 -5.517 -1.684 87 HB2 ASP 16 1HB ASP 16 5.925 -2.986 -3.277 88 HB3 ASP 16 2HB ASP 16 6.853 -4.422 -3.702 89 H VAL 17 H VAL 17 7.036 -2.531 -0.560 90 HA VAL 17 HA VAL 17 9.760 -3.408 -0.728 91 HB VAL 17 HB VAL 17 8.525 -1.129 0.824 92 HG11 VAL 17 1HG1 VAL 17 11.193 -2.250 0.868 93 HG12 VAL 17 2HG1 VAL 17 11.201 -0.560 0.359 94 HG13 VAL 17 3HG1 VAL 17 10.471 -1.015 1.900 95 HG21 VAL 17 3HG2 VAL 17 10.145 -1.006 -1.710 96 HG22 VAL 17 1HG2 VAL 17 8.383 -1.085 -1.696 97 HG23 VAL 17 2HG2 VAL 17 9.211 0.284 -0.952 98 H CYS 18 H CYS 18 7.266 -3.379 1.753 99 HA CYS 18 HA CYS 18 9.092 -4.876 3.519 100 HB2 CYS 18 1HB CYS 18 7.983 -3.940 5.430 101 HB3 CYS 18 2HB CYS 18 8.420 -2.610 4.364 102 H ARG 19 H ARG 19 6.159 -4.876 1.786 103 HA ARG 19 HA ARG 19 4.564 -6.467 1.462 104 HB2 ARG 19 1HB ARG 19 6.308 -8.225 3.197 105 HB3 ARG 19 2HB ARG 19 5.021 -8.763 2.127 106 HG2 ARG 19 1HG ARG 19 7.451 -7.295 1.144 107 HG3 ARG 19 2HG ARG 19 7.371 -9.053 1.275 108 HD2 ARG 19 1HD ARG 19 5.161 -8.744 -0.099 109 HD3 ARG 19 2HD ARG 19 5.903 -7.212 -0.557 110 HE ARG 19 HE ARG 19 7.465 -8.362 -1.806 111 HH11 ARG 19 1HH1 ARG 19 5.596 -10.581 0.119 112 HH12 ARG 19 2HH1 ARG 19 6.184 -11.990 -0.699 113 HH21 ARG 19 1HH2 ARG 19 8.246 -10.210 -2.892 114 HH22 ARG 19 2HH2 ARG 19 7.692 -11.778 -2.411 115 H LYS 20 H LYS 20 4.338 -4.589 3.606 116 HA LYS 20 HA LYS 20 3.338 -5.897 5.943 117 HB2 LYS 20 1HB LYS 20 3.507 -3.102 4.949 118 HB3 LYS 20 2HB LYS 20 2.284 -3.443 6.167 119 HG2 LYS 20 1HG LYS 20 5.061 -4.394 6.640 120 HG3 LYS 20 2HG LYS 20 4.705 -2.676 6.832 121 HD2 LYS 20 1HD LYS 20 3.315 -3.026 8.625 122 HD3 LYS 20 2HD LYS 20 2.891 -4.661 8.114 123 HE2 LYS 20 1HE LYS 20 5.590 -3.846 9.183 124 HE3 LYS 20 2HE LYS 20 4.313 -4.579 10.152 125 HZ1 LYS 20 3HZ LYS 20 6.204 -5.994 8.980 126 HZ2 LYS 20 1HZ LYS 20 5.080 -5.981 7.716 127 HZ3 LYS 20 2HZ LYS 20 4.644 -6.599 9.229 128 H ALA 21 H ALA 21 1.016 -5.060 6.680 129 HA ALA 21 HA ALA 21 -0.858 -5.650 4.482 130 HB1 ALA 21 3HB ALA 21 -2.272 -6.615 6.474 131 HB2 ALA 21 1HB ALA 21 -1.035 -7.592 5.684 132 HB3 ALA 21 2HB ALA 21 -0.686 -6.803 7.223 133 H PHE 22 H PHE 22 -2.806 -4.545 4.458 134 HA PHE 22 HA PHE 22 -3.490 -2.714 6.582 135 HB2 PHE 22 1HB PHE 22 -2.955 -1.547 3.851 136 HB3 PHE 22 2HB PHE 22 -3.316 -0.684 5.342 137 HD1 PHE 22 HD2 PHE 22 -1.618 -0.454 7.087 138 HD2 PHE 22 HD1 PHE 22 -0.750 -2.324 3.363 139 HE1 PHE 22 HE2 PHE 22 0.790 -0.225 7.537 140 HE2 PHE 22 HE1 PHE 22 1.660 -2.099 3.807 141 HZ PHE 22 HZ PHE 22 2.433 -1.047 5.896 142 H SER 23 H SER 23 -5.586 -3.095 6.806 143 HA SER 23 HA SER 23 -7.252 -4.281 4.916 144 HB2 SER 23 1HB SER 23 -9.085 -3.740 6.388 145 HB3 SER 23 2HB SER 23 -7.686 -4.140 7.384 146 HG SER 23 HG SER 23 -7.317 -1.787 7.427 147 H HIS 24 H HIS 24 -6.762 -0.863 5.687 148 HA HIS 24 HA HIS 24 -8.460 -0.138 3.400 149 HB2 HIS 24 1HB HIS 24 -8.999 0.851 5.639 150 HB3 HIS 24 2HB HIS 24 -7.439 1.667 5.601 151 HD1 HIS 24 HD1 HIS 24 -8.704 3.956 5.669 152 HD2 HIS 24 HD2 HIS 24 -9.442 1.658 2.287 153 HE1 HIS 24 HE1 HIS 24 -9.796 5.513 4.024 154 H HIS 25 H HIS 25 -7.569 0.637 1.602 155 HA HIS 25 HA HIS 25 -4.943 0.556 0.939 156 HB2 HIS 25 1HB HIS 25 -7.094 1.197 -0.455 157 HB3 HIS 25 2HB HIS 25 -6.529 2.839 -0.160 158 HD1 HIS 25 HD1 HIS 25 -3.470 2.271 -0.454 159 HD2 HIS 25 HD2 HIS 25 -6.409 0.996 -3.100 160 HE1 HIS 25 HE1 HIS 25 -2.290 1.906 -2.644 161 H ALA 26 H ALA 26 -6.603 3.555 1.934 162 HA ALA 26 HA ALA 26 -4.704 5.407 1.960 163 HB1 ALA 26 3HB ALA 26 -6.964 5.685 2.935 164 HB2 ALA 26 1HB ALA 26 -6.396 4.882 4.399 165 HB3 ALA 26 2HB ALA 26 -5.690 6.422 3.908 166 H SER 27 H SER 27 -5.045 3.182 4.733 167 HA SER 27 HA SER 27 -2.883 3.880 6.218 168 HB2 SER 27 1HB SER 27 -4.039 1.152 5.661 169 HB3 SER 27 2HB SER 27 -2.716 1.382 6.805 170 HG SER 27 HG SER 27 -5.147 2.827 6.952 171 H LEU 28 H LEU 28 -2.858 1.761 3.379 172 HA LEU 28 HA LEU 28 -0.032 1.295 3.512 173 HB2 LEU 28 1HB LEU 28 -1.194 -0.431 2.490 174 HB3 LEU 28 2HB LEU 28 -2.201 0.671 1.552 175 HG LEU 28 HG LEU 28 -0.135 1.221 0.208 176 HD11 LEU 28 1HD1 LEU 28 1.296 0.098 2.116 177 HD12 LEU 28 2HD1 LEU 28 1.816 0.061 0.431 178 HD13 LEU 28 3HD1 LEU 28 1.029 -1.348 1.142 179 HD21 LEU 28 3HD2 LEU 28 -1.570 -1.382 0.228 180 HD22 LEU 28 1HD2 LEU 28 -0.190 -1.196 -0.855 181 HD23 LEU 28 2HD2 LEU 28 -1.566 -0.099 -0.984 182 H THR 29 H THR 29 -2.163 3.355 1.577 183 HA THR 29 HA THR 29 -0.317 4.384 -0.218 184 HB THR 29 HB THR 29 -2.763 5.640 1.017 185 HG1 THR 29 HG1 THR 29 -2.428 4.988 -1.700 186 HG21 THR 29 3HG2 THR 29 -2.102 6.978 -1.373 187 HG22 THR 29 1HG2 THR 29 -0.643 6.966 -0.385 188 HG23 THR 29 2HG2 THR 29 -2.139 7.640 0.261 189 H GLN 30 H GLN 30 -1.182 5.605 3.008 190 HA GLN 30 HA GLN 30 0.719 7.739 2.917 191 HB2 GLN 30 1HB GLN 30 -1.199 8.045 4.300 192 HB3 GLN 30 2HB GLN 30 -0.909 6.533 5.150 193 HG2 GLN 30 1HG GLN 30 1.064 7.451 6.192 194 HG3 GLN 30 2HG GLN 30 0.886 8.944 5.273 195 HE21 GLN 30 1HE2 GLN 30 -0.143 10.549 6.225 196 HE22 GLN 30 2HE2 GLN 30 -1.199 10.413 7.586 197 H HIS 31 H HIS 31 0.674 4.479 4.244 198 HA HIS 31 HA HIS 31 3.007 4.612 5.785 199 HB2 HIS 31 1HB HIS 31 1.841 2.678 6.210 200 HB3 HIS 31 2HB HIS 31 1.435 2.423 4.515 201 HD1 HIS 31 HD1 HIS 31 3.998 1.629 7.081 202 HD2 HIS 31 HD2 HIS 31 3.410 1.067 3.007 203 HE1 HIS 31 HE1 HIS 31 5.707 -0.080 6.385 204 H GLN 32 H GLN 32 2.553 3.663 2.392 205 HA GLN 32 HA GLN 32 4.967 2.805 1.606 206 HB2 GLN 32 1HB GLN 32 3.084 4.717 0.263 207 HB3 GLN 32 2HB GLN 32 4.594 4.265 -0.516 208 HG2 GLN 32 1HG GLN 32 2.630 2.221 0.463 209 HG3 GLN 32 2HG GLN 32 2.517 2.948 -1.139 210 HE21 GLN 32 1HE2 GLN 32 3.393 1.779 -2.674 211 HE22 GLN 32 2HE2 GLN 32 4.743 0.714 -2.509 212 H ARG 33 H ARG 33 4.216 6.073 2.595 213 HA ARG 33 HA ARG 33 6.366 7.496 1.638 214 HB2 ARG 33 1HB ARG 33 4.949 7.710 4.295 215 HB3 ARG 33 2HB ARG 33 6.133 8.883 3.737 216 HG2 ARG 33 1HG ARG 33 4.754 9.514 1.898 217 HG3 ARG 33 2HG ARG 33 3.633 8.189 2.218 218 HD2 ARG 33 1HD ARG 33 2.589 10.104 3.094 219 HD3 ARG 33 2HD ARG 33 3.257 9.261 4.491 220 HE ARG 33 HE ARG 33 5.163 11.097 3.636 221 HH11 ARG 33 1HH1 ARG 33 1.940 11.104 4.951 222 HH12 ARG 33 2HH1 ARG 33 2.122 12.639 5.734 223 HH21 ARG 33 1HH2 ARG 33 5.416 13.118 4.662 224 HH22 ARG 33 2HH2 ARG 33 4.099 13.784 5.568 225 H VAL 34 H VAL 34 6.212 5.615 4.654 226 HA VAL 34 HA VAL 34 8.610 6.079 5.799 227 HB VAL 34 HB VAL 34 8.669 3.678 6.501 228 HG11 VAL 34 1HG1 VAL 34 6.155 5.299 6.749 229 HG12 VAL 34 2HG1 VAL 34 6.360 3.765 7.597 230 HG13 VAL 34 3HG1 VAL 34 7.464 5.104 7.915 231 HG21 VAL 34 3HG2 VAL 34 6.968 3.412 4.203 232 HG22 VAL 34 1HG2 VAL 34 7.715 2.157 5.191 233 HG23 VAL 34 2HG2 VAL 34 6.142 2.815 5.642 234 H HIS 35 H HIS 35 8.080 4.503 2.757 235 HA HIS 35 HA HIS 35 10.896 3.701 2.595 236 HB2 HIS 35 1HB HIS 35 8.697 3.101 0.613 237 HB3 HIS 35 2HB HIS 35 10.279 2.334 0.722 238 HD1 HIS 35 HD1 HIS 35 10.336 1.665 3.718 239 HD2 HIS 35 HD2 HIS 35 7.050 1.034 1.255 240 HE1 HIS 35 HE1 HIS 35 8.985 -0.131 4.846 241 H SER 36 H SER 36 11.711 5.842 2.362 242 HA SER 36 HA SER 36 11.149 7.053 -0.266 243 HB2 SER 36 1HB SER 36 10.484 8.499 1.613 244 HB3 SER 36 2HB SER 36 12.124 8.416 2.257 245 HG SER 36 HG SER 36 11.290 10.215 0.666 246 H GLY 37 H GLY 37 12.756 7.039 -1.691 247 HA2 GLY 37 1HA GLY 37 15.508 6.688 -0.669 248 HA3 GLY 37 2HA GLY 37 14.923 5.907 -2.130 249 H GLU 38 H GLU 38 16.350 8.703 -0.793 250 HA GLU 38 HA GLU 38 16.515 9.881 -3.471 251 HB2 GLU 38 1HB GLU 38 15.713 11.350 -0.957 252 HB3 GLU 38 2HB GLU 38 16.225 12.155 -2.434 253 HG2 GLU 38 1HG GLU 38 14.327 10.676 -3.499 254 HG3 GLU 38 2HG GLU 38 13.714 10.684 -1.846 255 H LYS 39 H LYS 39 18.374 11.121 -3.856 256 HA LYS 39 HA LYS 39 20.295 11.750 -1.881 257 HB2 LYS 39 1HB LYS 39 22.057 10.133 -2.590 258 HB3 LYS 39 2HB LYS 39 20.703 9.383 -1.753 259 HG2 LYS 39 1HG LYS 39 20.974 7.919 -3.476 260 HG3 LYS 39 2HG LYS 39 19.809 9.031 -4.200 261 HD2 LYS 39 1HD LYS 39 21.376 9.978 -5.593 262 HD3 LYS 39 2HD LYS 39 22.723 9.576 -4.525 263 HE2 LYS 39 1HE LYS 39 21.200 7.346 -5.767 264 HE3 LYS 39 2HE LYS 39 22.293 8.274 -6.792 265 HZ1 LYS 39 3HZ LYS 39 22.925 6.599 -4.453 266 HZ2 LYS 39 1HZ LYS 39 23.969 7.853 -4.902 267 HZ3 LYS 39 2HZ LYS 39 23.636 6.600 -5.988 268 HA PRO 40 HA PRO 40 21.712 14.309 -5.157 269 HB2 PRO 40 1HB PRO 40 24.274 14.757 -4.380 270 HB3 PRO 40 2HB PRO 40 22.883 15.482 -3.566 271 HG2 PRO 40 1HG PRO 40 24.490 13.079 -2.790 272 HG3 PRO 40 2HG PRO 40 23.882 14.396 -1.769 273 HD2 PRO 40 1HD PRO 40 22.660 11.984 -1.918 274 HD3 PRO 40 2HD PRO 40 21.765 13.494 -1.650 275 H SER 41 H SER 41 23.895 14.572 -6.519 276 HA SER 41 HA SER 41 24.031 12.451 -8.283 277 HB2 SER 41 1HB SER 41 26.165 14.522 -7.713 278 HB3 SER 41 2HB SER 41 26.098 13.501 -9.149 279 HG SER 41 HG SER 41 25.173 15.640 -9.398 280 H GLY 42 H GLY 42 26.156 13.176 -5.537 281 HA2 GLY 42 1HA GLY 42 26.796 10.386 -5.235 282 HA3 GLY 42 2HA GLY 42 28.148 11.341 -5.824 283 HA PRO 43 HA PRO 43 26.993 12.820 -1.331 284 HB2 PRO 43 1HB PRO 43 25.700 10.950 0.154 285 HB3 PRO 43 2HB PRO 43 24.853 12.177 -0.796 286 HG2 PRO 43 1HG PRO 43 25.406 9.312 -1.465 287 HG3 PRO 43 2HG PRO 43 23.918 10.249 -1.699 288 HD2 PRO 43 1HD PRO 43 25.663 9.759 -3.710 289 HD3 PRO 43 2HD PRO 43 24.702 11.249 -3.622 290 H SER 44 H SER 44 28.610 12.656 0.113 291 HA SER 44 HA SER 44 29.591 10.250 1.199 292 HB2 SER 44 1HB SER 44 30.457 10.328 -1.299 293 HB3 SER 44 2HB SER 44 31.658 11.424 -0.616 294 HG SER 44 HG SER 44 32.247 9.150 -0.613 295 H SER 45 H SER 45 30.028 10.986 3.163 296 HA SER 45 HA SER 45 30.605 12.428 4.853 297 HB2 SER 45 1HB SER 45 32.996 13.059 4.792 298 HB3 SER 45 2HB SER 45 32.749 11.378 4.319 299 HG SER 45 HG SER 45 33.510 13.579 2.767 300 H GLY 46 H GLY 46 28.940 13.723 3.058 301 HA2 GLY 46 1HA GLY 46 30.159 16.399 2.799 302 HA3 GLY 46 2HA GLY 46 28.815 15.815 1.828 Start of MODEL 14 1 H1 GLY 1 H GLY 1 3.439 -27.811 -2.431 2 HA2 GLY 1 1HA GLY 1 4.395 -27.551 -0.255 3 HA3 GLY 1 2HA GLY 1 5.610 -26.490 -0.953 4 H SER 2 H SER 2 2.255 -26.737 0.056 5 HA SER 2 HA SER 2 1.343 -24.196 -0.544 6 HB2 SER 2 1HB SER 2 -0.199 -25.825 0.298 7 HB3 SER 2 2HB SER 2 0.705 -25.992 1.803 8 HG SER 2 HG SER 2 -0.222 -23.450 1.146 9 H SER 3 H SER 3 3.073 -25.284 2.361 10 HA SER 3 HA SER 3 4.007 -24.117 4.095 11 HB2 SER 3 1HB SER 3 5.650 -23.789 2.266 12 HB3 SER 3 2HB SER 3 4.830 -22.293 1.822 13 HG SER 3 HG SER 3 6.409 -22.868 4.060 14 H GLY 4 H GLY 4 1.306 -23.526 3.859 15 HA2 GLY 4 1HA GLY 4 0.761 -21.531 5.521 16 HA3 GLY 4 2HA GLY 4 1.039 -20.627 4.040 17 H SER 5 H SER 5 -0.660 -23.664 4.818 18 HA SER 5 HA SER 5 -2.824 -22.898 3.042 19 HB2 SER 5 1HB SER 5 -2.037 -25.206 2.969 20 HB3 SER 5 2HB SER 5 -2.389 -25.404 4.686 21 HG SER 5 HG SER 5 -4.176 -25.139 2.524 22 H SER 6 H SER 6 -2.358 -23.606 6.484 23 HA SER 6 HA SER 6 -5.096 -22.873 7.097 24 HB2 SER 6 1HB SER 6 -4.467 -23.410 9.431 25 HB3 SER 6 2HB SER 6 -4.085 -24.728 8.323 26 HG SER 6 HG SER 6 -2.450 -23.532 9.979 27 H GLY 7 H GLY 7 -5.757 -21.057 8.196 28 HA2 GLY 7 1HA GLY 7 -5.042 -19.161 9.649 29 HA3 GLY 7 2HA GLY 7 -3.704 -18.957 8.529 30 H THR 8 H THR 8 -5.787 -17.056 9.321 31 HA THR 8 HA THR 8 -6.912 -16.528 6.648 32 HB THR 8 HB THR 8 -8.223 -15.753 9.259 33 HG1 THR 8 HG1 THR 8 -9.339 -17.581 9.149 34 HG21 THR 8 3HG2 THR 8 -9.305 -15.765 6.440 35 HG22 THR 8 1HG2 THR 8 -8.722 -14.331 7.284 36 HG23 THR 8 2HG2 THR 8 -10.134 -15.197 7.889 37 H GLY 9 H GLY 9 -5.920 -14.830 5.782 38 HA2 GLY 9 1HA GLY 9 -5.940 -12.269 6.890 39 HA3 GLY 9 2HA GLY 9 -4.372 -12.976 7.248 40 H GLU 10 H GLU 10 -6.559 -12.020 4.661 41 HA GLU 10 HA GLU 10 -4.254 -11.438 2.981 42 HB2 GLU 10 1HB GLU 10 -4.889 -13.743 2.381 43 HB3 GLU 10 2HB GLU 10 -6.524 -13.197 2.035 44 HG2 GLU 10 1HG GLU 10 -5.682 -11.785 0.236 45 HG3 GLU 10 2HG GLU 10 -4.037 -12.312 0.588 46 H LYS 11 H LYS 11 -4.507 -9.425 2.307 47 HA LYS 11 HA LYS 11 -7.230 -8.466 1.713 48 HB2 LYS 11 1HB LYS 11 -4.985 -7.178 3.205 49 HB3 LYS 11 2HB LYS 11 -6.067 -6.157 2.267 50 HG2 LYS 11 1HG LYS 11 -6.965 -6.154 4.420 51 HG3 LYS 11 2HG LYS 11 -7.966 -7.300 3.525 52 HD2 LYS 11 1HD LYS 11 -7.535 -8.411 5.525 53 HD3 LYS 11 2HD LYS 11 -6.335 -9.086 4.421 54 HE2 LYS 11 1HE LYS 11 -5.234 -8.600 6.481 55 HE3 LYS 11 2HE LYS 11 -4.704 -7.406 5.297 56 HZ1 LYS 11 3HZ LYS 11 -6.760 -6.989 7.400 57 HZ2 LYS 11 1HZ LYS 11 -6.318 -5.846 6.233 58 HZ3 LYS 11 2HZ LYS 11 -5.194 -6.349 7.392 59 HA PRO 12 HA PRO 12 -5.888 -7.347 -2.312 60 HB2 PRO 12 1HB PRO 12 -7.291 -5.065 -2.752 61 HB3 PRO 12 2HB PRO 12 -8.043 -6.664 -2.725 62 HG2 PRO 12 1HG PRO 12 -7.936 -4.585 -0.574 63 HG3 PRO 12 2HG PRO 12 -9.299 -5.599 -1.083 64 HD2 PRO 12 1HD PRO 12 -7.808 -6.156 1.107 65 HD3 PRO 12 2HD PRO 12 -8.551 -7.423 0.111 66 H TYR 13 H TYR 13 -4.910 -5.681 0.360 67 HA TYR 13 HA TYR 13 -3.245 -3.852 -1.244 68 HB2 TYR 13 1HB TYR 13 -4.225 -3.380 1.579 69 HB3 TYR 13 2HB TYR 13 -3.262 -2.273 0.607 70 HD1 TYR 13 HD2 TYR 13 -4.278 -1.100 -1.308 71 HD2 TYR 13 HD1 TYR 13 -6.595 -3.581 1.258 72 HE1 TYR 13 HE2 TYR 13 -6.335 -0.077 -2.186 73 HE2 TYR 13 HE1 TYR 13 -8.658 -2.565 0.386 74 HH TYR 13 HH TYR 13 -9.095 -1.206 -2.186 75 H GLU 14 H GLU 14 -1.089 -3.895 -0.905 76 HA GLU 14 HA GLU 14 0.097 -4.944 1.476 77 HB2 GLU 14 1HB GLU 14 -0.624 -7.006 0.172 78 HB3 GLU 14 2HB GLU 14 0.571 -6.547 -1.034 79 HG2 GLU 14 1HG GLU 14 2.276 -6.588 0.830 80 HG3 GLU 14 2HG GLU 14 1.036 -7.359 1.818 81 H CYS 15 H CYS 15 2.226 -4.362 1.674 82 HA CYS 15 HA CYS 15 3.193 -2.428 -0.240 83 HB2 CYS 15 1HB CYS 15 3.363 -2.303 2.337 84 HB3 CYS 15 2HB CYS 15 4.725 -3.404 2.158 85 H ASP 16 H ASP 16 4.535 -2.832 -1.862 86 HA ASP 16 HA ASP 16 5.672 -5.471 -2.175 87 HB2 ASP 16 1HB ASP 16 4.625 -4.053 -4.035 88 HB3 ASP 16 2HB ASP 16 6.117 -3.117 -4.004 89 H VAL 17 H VAL 17 6.635 -3.407 -0.133 90 HA VAL 17 HA VAL 17 9.483 -3.477 -0.893 91 HB VAL 17 HB VAL 17 8.089 -1.474 0.889 92 HG11 VAL 17 1HG1 VAL 17 10.335 -1.944 1.687 93 HG12 VAL 17 2HG1 VAL 17 10.986 -1.676 0.068 94 HG13 VAL 17 3HG1 VAL 17 10.265 -0.338 0.963 95 HG21 VAL 17 3HG2 VAL 17 8.046 -0.016 -0.839 96 HG22 VAL 17 1HG2 VAL 17 9.545 -0.630 -1.535 97 HG23 VAL 17 2HG2 VAL 17 8.031 -1.494 -1.800 98 H CYS 18 H CYS 18 7.273 -3.506 1.898 99 HA CYS 18 HA CYS 18 9.257 -5.140 3.340 100 HB2 CYS 18 1HB CYS 18 8.139 -4.327 5.420 101 HB3 CYS 18 2HB CYS 18 8.910 -3.049 4.486 102 H ARG 19 H ARG 19 6.389 -5.306 1.716 103 HA ARG 19 HA ARG 19 4.752 -6.876 1.544 104 HB2 ARG 19 1HB ARG 19 6.747 -8.417 3.200 105 HB3 ARG 19 2HB ARG 19 5.239 -9.122 2.635 106 HG2 ARG 19 1HG ARG 19 6.726 -9.802 1.019 107 HG3 ARG 19 2HG ARG 19 6.047 -8.341 0.297 108 HD2 ARG 19 1HD ARG 19 8.320 -8.059 -0.041 109 HD3 ARG 19 2HD ARG 19 8.036 -7.145 1.440 110 HE ARG 19 HE ARG 19 9.364 -8.628 2.564 111 HH11 ARG 19 1HH1 ARG 19 8.432 -10.025 -0.485 112 HH12 ARG 19 2HH1 ARG 19 9.478 -11.397 -0.326 113 HH21 ARG 19 1HH2 ARG 19 10.747 -10.429 2.786 114 HH22 ARG 19 2HH2 ARG 19 10.794 -11.626 1.536 115 H LYS 20 H LYS 20 4.033 -4.961 3.194 116 HA LYS 20 HA LYS 20 3.106 -6.201 5.686 117 HB2 LYS 20 1HB LYS 20 4.317 -3.897 5.537 118 HB3 LYS 20 2HB LYS 20 2.751 -3.300 5.006 119 HG2 LYS 20 1HG LYS 20 1.764 -3.665 7.049 120 HG3 LYS 20 2HG LYS 20 2.926 -4.912 7.507 121 HD2 LYS 20 1HD LYS 20 4.630 -2.917 7.400 122 HD3 LYS 20 2HD LYS 20 3.177 -1.940 7.623 123 HE2 LYS 20 1HE LYS 20 4.213 -2.430 9.765 124 HE3 LYS 20 2HE LYS 20 2.640 -3.217 9.646 125 HZ1 LYS 20 3HZ LYS 20 4.825 -4.853 8.734 126 HZ2 LYS 20 1HZ LYS 20 3.560 -5.229 9.793 127 HZ3 LYS 20 2HZ LYS 20 4.937 -4.436 10.370 128 H ALA 21 H ALA 21 0.977 -6.482 6.146 129 HA ALA 21 HA ALA 21 -0.902 -5.996 3.943 130 HB1 ALA 21 3HB ALA 21 -0.423 -8.262 5.456 131 HB2 ALA 21 1HB ALA 21 -1.926 -7.618 6.117 132 HB3 ALA 21 2HB ALA 21 -1.804 -7.982 4.395 133 H PHE 22 H PHE 22 -2.775 -4.854 4.219 134 HA PHE 22 HA PHE 22 -3.339 -3.746 6.875 135 HB2 PHE 22 1HB PHE 22 -3.354 -2.050 4.376 136 HB3 PHE 22 2HB PHE 22 -3.567 -1.511 6.038 137 HD1 PHE 22 HD1 PHE 22 -1.117 -2.945 3.667 138 HD2 PHE 22 HD2 PHE 22 -1.725 -0.929 7.366 139 HE1 PHE 22 HE1 PHE 22 1.303 -2.530 3.834 140 HE2 PHE 22 HE2 PHE 22 0.693 -0.510 7.538 141 HZ PHE 22 HZ PHE 22 2.211 -1.309 5.771 142 H SER 23 H SER 23 -5.488 -2.338 6.602 143 HA SER 23 HA SER 23 -7.443 -4.207 5.504 144 HB2 SER 23 1HB SER 23 -7.819 -1.794 7.295 145 HB3 SER 23 2HB SER 23 -9.090 -2.920 6.819 146 HG SER 23 HG SER 23 -8.178 -4.485 8.034 147 H HIS 24 H HIS 24 -7.013 -0.664 5.568 148 HA HIS 24 HA HIS 24 -8.508 -0.502 3.047 149 HB2 HIS 24 1HB HIS 24 -8.980 0.912 5.233 150 HB3 HIS 24 2HB HIS 24 -7.694 1.927 4.587 151 HD1 HIS 24 HD1 HIS 24 -9.320 3.869 4.117 152 HD2 HIS 24 HD2 HIS 24 -10.263 0.355 2.111 153 HE1 HIS 24 HE1 HIS 24 -11.039 4.516 2.399 154 H HIS 25 H HIS 25 -7.715 1.497 1.686 155 HA HIS 25 HA HIS 25 -5.048 0.848 0.843 156 HB2 HIS 25 1HB HIS 25 -5.439 2.361 -0.986 157 HB3 HIS 25 2HB HIS 25 -6.907 1.422 -0.733 158 HD1 HIS 25 HD1 HIS 25 -5.843 4.770 -1.305 159 HD2 HIS 25 HD2 HIS 25 -8.820 3.003 0.993 160 HE1 HIS 25 HE1 HIS 25 -7.501 6.600 -0.829 161 H ALA 26 H ALA 26 -6.610 3.825 2.029 162 HA ALA 26 HA ALA 26 -4.608 5.611 2.080 163 HB1 ALA 26 3HB ALA 26 -6.083 5.334 4.645 164 HB2 ALA 26 1HB ALA 26 -5.763 6.770 3.671 165 HB3 ALA 26 2HB ALA 26 -7.011 5.626 3.174 166 H SER 27 H SER 27 -4.943 2.897 4.316 167 HA SER 27 HA SER 27 -2.855 3.565 6.063 168 HB2 SER 27 1HB SER 27 -2.914 1.239 6.768 169 HB3 SER 27 2HB SER 27 -4.562 1.809 6.505 170 HG SER 27 HG SER 27 -4.638 0.036 5.343 171 H LEU 28 H LEU 28 -2.852 1.440 3.208 172 HA LEU 28 HA LEU 28 -0.071 0.894 3.315 173 HB2 LEU 28 1HB LEU 28 -1.402 -0.652 2.152 174 HB3 LEU 28 2HB LEU 28 -2.165 0.608 1.185 175 HG LEU 28 HG LEU 28 -0.052 0.929 -0.033 176 HD11 LEU 28 1HD1 LEU 28 1.430 0.182 1.814 177 HD12 LEU 28 2HD1 LEU 28 1.804 -0.558 0.258 178 HD13 LEU 28 3HD1 LEU 28 0.935 -1.479 1.486 179 HD21 LEU 28 3HD2 LEU 28 -0.061 -1.287 -1.198 180 HD22 LEU 28 1HD2 LEU 28 -1.649 -0.539 -1.022 181 HD23 LEU 28 2HD2 LEU 28 -1.177 -1.865 0.041 182 H THR 29 H THR 29 -2.016 3.204 1.462 183 HA THR 29 HA THR 29 0.041 4.256 -0.121 184 HB THR 29 HB THR 29 -2.583 5.377 0.819 185 HG1 THR 29 HG1 THR 29 -2.822 5.322 -1.578 186 HG21 THR 29 3HG2 THR 29 -1.766 7.081 -1.176 187 HG22 THR 29 1HG2 THR 29 -0.297 6.870 -0.223 188 HG23 THR 29 2HG2 THR 29 -1.773 7.452 0.548 189 H GLN 30 H GLN 30 -1.277 5.452 2.967 190 HA GLN 30 HA GLN 30 0.553 7.586 3.230 191 HB2 GLN 30 1HB GLN 30 -1.341 6.177 5.055 192 HB3 GLN 30 2HB GLN 30 -0.125 7.230 5.766 193 HG2 GLN 30 1HG GLN 30 -2.288 7.968 3.818 194 HG3 GLN 30 2HG GLN 30 -2.095 8.510 5.484 195 HE21 GLN 30 1HE2 GLN 30 -0.286 9.891 5.970 196 HE22 GLN 30 2HE2 GLN 30 0.345 10.938 4.749 197 H HIS 31 H HIS 31 0.680 4.209 4.132 198 HA HIS 31 HA HIS 31 2.857 4.335 5.912 199 HB2 HIS 31 1HB HIS 31 1.783 2.302 6.036 200 HB3 HIS 31 2HB HIS 31 1.563 2.190 4.292 201 HD1 HIS 31 HD1 HIS 31 4.016 1.443 7.012 202 HD2 HIS 31 HD2 HIS 31 3.675 0.997 2.895 203 HE1 HIS 31 HE1 HIS 31 5.884 -0.103 6.346 204 H GLN 32 H GLN 32 2.790 3.446 2.458 205 HA GLN 32 HA GLN 32 5.369 2.979 1.891 206 HB2 GLN 32 1HB GLN 32 3.452 4.698 0.317 207 HB3 GLN 32 2HB GLN 32 5.003 4.159 -0.312 208 HG2 GLN 32 1HG GLN 32 4.180 1.795 0.234 209 HG3 GLN 32 2HG GLN 32 2.584 2.531 0.364 210 HE21 GLN 32 1HE2 GLN 32 1.899 1.258 -1.400 211 HE22 GLN 32 2HE2 GLN 32 2.321 1.677 -3.021 212 H ARG 33 H ARG 33 4.014 6.108 2.696 213 HA ARG 33 HA ARG 33 5.862 7.913 1.911 214 HB2 ARG 33 1HB ARG 33 4.693 7.778 4.697 215 HB3 ARG 33 2HB ARG 33 5.366 9.209 3.928 216 HG2 ARG 33 1HG ARG 33 3.136 7.789 2.571 217 HG3 ARG 33 2HG ARG 33 2.778 8.775 3.990 218 HD2 ARG 33 1HD ARG 33 3.335 10.728 2.944 219 HD3 ARG 33 2HD ARG 33 4.503 9.950 1.878 220 HE ARG 33 HE ARG 33 1.931 9.060 1.204 221 HH11 ARG 33 1HH1 ARG 33 3.874 11.947 1.091 222 HH12 ARG 33 2HH1 ARG 33 3.064 12.593 -0.298 223 HH21 ARG 33 1HH2 ARG 33 0.858 9.901 -0.625 224 HH22 ARG 33 2HH2 ARG 33 1.349 11.429 -1.272 225 H VAL 34 H VAL 34 6.184 5.751 4.705 226 HA VAL 34 HA VAL 34 8.541 6.662 5.792 227 HB VAL 34 HB VAL 34 8.917 4.435 6.666 228 HG11 VAL 34 1HG1 VAL 34 6.116 5.468 6.587 229 HG12 VAL 34 2HG1 VAL 34 6.471 3.959 7.431 230 HG13 VAL 34 3HG1 VAL 34 7.270 5.453 7.920 231 HG21 VAL 34 3HG2 VAL 34 6.907 3.571 4.593 232 HG22 VAL 34 1HG2 VAL 34 8.598 3.086 4.719 233 HG23 VAL 34 2HG2 VAL 34 7.435 2.557 5.936 234 H HIS 35 H HIS 35 8.141 4.376 3.104 235 HA HIS 35 HA HIS 35 10.961 4.070 2.698 236 HB2 HIS 35 1HB HIS 35 8.747 3.399 0.756 237 HB3 HIS 35 2HB HIS 35 10.374 2.726 0.796 238 HD1 HIS 35 HD1 HIS 35 10.746 1.707 3.526 239 HD2 HIS 35 HD2 HIS 35 7.060 1.488 1.622 240 HE1 HIS 35 HE1 HIS 35 9.492 -0.131 4.698 241 H SER 36 H SER 36 11.882 4.494 0.445 242 HA SER 36 HA SER 36 10.907 7.040 -0.647 243 HB2 SER 36 1HB SER 36 12.779 7.481 0.941 244 HB3 SER 36 2HB SER 36 13.817 6.458 -0.051 245 HG SER 36 HG SER 36 14.075 8.630 -0.624 246 H GLY 37 H GLY 37 11.012 7.218 -2.828 247 HA2 GLY 37 1HA GLY 37 11.434 4.869 -4.367 248 HA3 GLY 37 2HA GLY 37 11.127 6.479 -5.002 249 H GLU 38 H GLU 38 13.294 7.885 -4.065 250 HA GLU 38 HA GLU 38 15.532 6.521 -5.413 251 HB2 GLU 38 1HB GLU 38 14.775 9.441 -5.344 252 HB3 GLU 38 2HB GLU 38 16.342 8.873 -5.903 253 HG2 GLU 38 1HG GLU 38 13.903 7.686 -7.112 254 HG3 GLU 38 2HG GLU 38 14.356 9.327 -7.568 255 H LYS 39 H LYS 39 17.513 6.494 -4.456 256 HA LYS 39 HA LYS 39 17.703 7.718 -1.781 257 HB2 LYS 39 1HB LYS 39 17.647 5.395 -1.406 258 HB3 LYS 39 2HB LYS 39 18.664 5.057 -2.801 259 HG2 LYS 39 1HG LYS 39 20.582 6.021 -1.656 260 HG3 LYS 39 2HG LYS 39 19.567 6.404 -0.263 261 HD2 LYS 39 1HD LYS 39 19.384 4.200 0.380 262 HD3 LYS 39 2HD LYS 39 19.674 3.591 -1.251 263 HE2 LYS 39 1HE LYS 39 21.789 4.977 0.381 264 HE3 LYS 39 2HE LYS 39 21.533 3.233 0.430 265 HZ1 LYS 39 3HZ LYS 39 22.174 4.798 -2.011 266 HZ2 LYS 39 1HZ LYS 39 21.978 3.120 -1.929 267 HZ3 LYS 39 2HZ LYS 39 23.276 3.860 -1.136 268 HA PRO 40 HA PRO 40 21.134 9.974 -3.414 269 HB2 PRO 40 1HB PRO 40 22.155 10.835 -1.050 270 HB3 PRO 40 2HB PRO 40 20.693 11.518 -1.771 271 HG2 PRO 40 1HG PRO 40 20.957 9.476 0.402 272 HG3 PRO 40 2HG PRO 40 19.857 10.862 0.298 273 HD2 PRO 40 1HD PRO 40 19.073 8.334 -0.274 274 HD3 PRO 40 2HD PRO 40 18.390 9.754 -1.092 275 H SER 41 H SER 41 22.210 8.025 -4.179 276 HA SER 41 HA SER 41 23.887 6.480 -2.481 277 HB2 SER 41 1HB SER 41 24.044 6.806 -5.487 278 HB3 SER 41 2HB SER 41 24.753 5.500 -4.537 279 HG SER 41 HG SER 41 21.991 6.014 -4.394 280 H GLY 42 H GLY 42 25.203 7.897 -1.323 281 HA2 GLY 42 1HA GLY 42 27.476 8.927 -2.870 282 HA3 GLY 42 2HA GLY 42 26.628 10.029 -1.794 283 HA PRO 43 HA PRO 43 30.073 7.676 0.430 284 HB2 PRO 43 1HB PRO 43 31.686 9.808 0.899 285 HB3 PRO 43 2HB PRO 43 31.813 8.809 -0.554 286 HG2 PRO 43 1HG PRO 43 30.467 11.458 -0.188 287 HG3 PRO 43 2HG PRO 43 31.488 10.897 -1.525 288 HD2 PRO 43 1HD PRO 43 28.785 10.946 -1.678 289 HD3 PRO 43 2HD PRO 43 29.767 9.727 -2.515 290 H SER 44 H SER 44 28.559 10.823 0.956 291 HA SER 44 HA SER 44 28.950 10.734 3.810 292 HB2 SER 44 1HB SER 44 27.909 12.854 3.875 293 HB3 SER 44 2HB SER 44 28.795 12.844 2.350 294 HG SER 44 HG SER 44 26.076 12.890 2.821 295 H SER 45 H SER 45 27.730 8.415 3.115 296 HA SER 45 HA SER 45 25.098 8.724 4.368 297 HB2 SER 45 1HB SER 45 23.977 7.378 2.782 298 HB3 SER 45 2HB SER 45 24.944 8.492 1.815 299 HG SER 45 HG SER 45 25.682 6.732 0.939 300 H GLY 46 H GLY 46 24.881 7.404 6.050 301 HA2 GLY 46 1HA GLY 46 26.481 4.921 6.086 302 HA3 GLY 46 2HA GLY 46 26.351 5.959 7.499 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -10.922 -33.620 8.760 2 HA2 GLY 1 1HA GLY 1 -11.059 -33.232 6.068 3 HA3 GLY 1 2HA GLY 1 -12.715 -32.983 6.600 4 H SER 2 H SER 2 -10.064 -31.362 5.762 5 HA SER 2 HA SER 2 -9.048 -29.383 6.397 6 HB2 SER 2 1HB SER 2 -10.706 -27.523 6.384 7 HB3 SER 2 2HB SER 2 -10.936 -28.658 5.054 8 HG SER 2 HG SER 2 -12.334 -29.139 7.417 9 H SER 3 H SER 3 -9.106 -31.015 8.618 10 HA SER 3 HA SER 3 -10.281 -29.663 10.861 11 HB2 SER 3 1HB SER 3 -8.218 -31.878 10.779 12 HB3 SER 3 2HB SER 3 -9.091 -31.343 12.215 13 HG SER 3 HG SER 3 -10.715 -32.520 11.614 14 H GLY 4 H GLY 4 -9.429 -27.560 10.779 15 HA2 GLY 4 1HA GLY 4 -7.899 -26.229 12.096 16 HA3 GLY 4 2HA GLY 4 -6.639 -27.394 11.718 17 H SER 5 H SER 5 -8.965 -25.501 9.786 18 HA SER 5 HA SER 5 -6.704 -24.667 8.091 19 HB2 SER 5 1HB SER 5 -8.636 -26.071 7.106 20 HB3 SER 5 2HB SER 5 -9.590 -24.594 7.232 21 HG SER 5 HG SER 5 -7.409 -25.178 5.583 22 H SER 6 H SER 6 -6.322 -22.545 7.752 23 HA SER 6 HA SER 6 -8.295 -20.532 8.374 24 HB2 SER 6 1HB SER 6 -5.740 -20.679 9.992 25 HB3 SER 6 2HB SER 6 -6.929 -19.380 10.062 26 HG SER 6 HG SER 6 -7.780 -20.573 11.571 27 H GLY 7 H GLY 7 -7.364 -18.292 8.020 28 HA2 GLY 7 1HA GLY 7 -5.095 -18.317 6.151 29 HA3 GLY 7 2HA GLY 7 -6.628 -17.641 5.620 30 H THR 8 H THR 8 -3.715 -16.721 6.530 31 HA THR 8 HA THR 8 -4.712 -14.272 7.824 32 HB THR 8 HB THR 8 -2.575 -14.145 9.099 33 HG1 THR 8 HG1 THR 8 -1.676 -16.497 9.248 34 HG21 THR 8 3HG2 THR 8 -3.201 -15.737 10.810 35 HG22 THR 8 1HG2 THR 8 -4.156 -16.659 9.650 36 HG23 THR 8 2HG2 THR 8 -4.658 -15.032 10.111 37 H GLY 9 H GLY 9 -3.904 -12.370 7.068 38 HA2 GLY 9 1HA GLY 9 -2.665 -10.908 5.787 39 HA3 GLY 9 2HA GLY 9 -1.490 -12.193 5.547 40 H GLU 10 H GLU 10 -4.931 -12.169 4.705 41 HA GLU 10 HA GLU 10 -4.138 -12.491 1.885 42 HB2 GLU 10 1HB GLU 10 -5.199 -14.491 2.997 43 HB3 GLU 10 2HB GLU 10 -6.666 -13.537 3.163 44 HG2 GLU 10 1HG GLU 10 -6.983 -14.841 1.248 45 HG3 GLU 10 2HG GLU 10 -6.586 -13.230 0.653 46 H LYS 11 H LYS 11 -4.197 -10.194 1.619 47 HA LYS 11 HA LYS 11 -6.895 -9.228 1.072 48 HB2 LYS 11 1HB LYS 11 -6.651 -7.185 2.258 49 HB3 LYS 11 2HB LYS 11 -6.205 -8.463 3.381 50 HG2 LYS 11 1HG LYS 11 -3.908 -7.966 3.190 51 HG3 LYS 11 2HG LYS 11 -4.173 -6.936 1.782 52 HD2 LYS 11 1HD LYS 11 -3.800 -5.517 3.671 53 HD3 LYS 11 2HD LYS 11 -5.511 -5.413 3.246 54 HE2 LYS 11 1HE LYS 11 -4.651 -7.425 5.269 55 HE3 LYS 11 2HE LYS 11 -4.736 -5.729 5.744 56 HZ1 LYS 11 3HZ LYS 11 -6.900 -7.542 4.937 57 HZ2 LYS 11 1HZ LYS 11 -7.071 -5.885 4.641 58 HZ3 LYS 11 2HZ LYS 11 -6.842 -6.442 6.221 59 HA PRO 12 HA PRO 12 -5.043 -7.596 -2.560 60 HB2 PRO 12 1HB PRO 12 -6.664 -5.475 -3.053 61 HB3 PRO 12 2HB PRO 12 -7.173 -7.150 -3.296 62 HG2 PRO 12 1HG PRO 12 -7.725 -5.317 -0.995 63 HG3 PRO 12 2HG PRO 12 -8.825 -6.433 -1.825 64 HD2 PRO 12 1HD PRO 12 -7.658 -7.030 0.545 65 HD3 PRO 12 2HD PRO 12 -8.036 -8.267 -0.672 66 H TYR 13 H TYR 13 -4.980 -5.957 0.374 67 HA TYR 13 HA TYR 13 -3.438 -3.711 -0.726 68 HB2 TYR 13 1HB TYR 13 -4.414 -3.995 2.114 69 HB3 TYR 13 2HB TYR 13 -3.864 -2.535 1.301 70 HD1 TYR 13 HD1 TYR 13 -6.641 -4.901 1.685 71 HD2 TYR 13 HD2 TYR 13 -5.325 -1.318 -0.196 72 HE1 TYR 13 HE1 TYR 13 -8.963 -4.381 1.063 73 HE2 TYR 13 HE2 TYR 13 -7.644 -0.788 -0.821 74 HH TYR 13 HH TYR 13 -9.978 -2.749 -1.058 75 H GLU 14 H GLU 14 -1.322 -4.041 -0.799 76 HA GLU 14 HA GLU 14 0.052 -5.035 1.564 77 HB2 GLU 14 1HB GLU 14 -0.044 -6.468 -1.052 78 HB3 GLU 14 2HB GLU 14 1.465 -6.477 -0.150 79 HG2 GLU 14 1HG GLU 14 0.309 -7.430 1.778 80 HG3 GLU 14 2HG GLU 14 -1.203 -7.423 0.873 81 H CYS 15 H CYS 15 2.404 -4.718 1.434 82 HA CYS 15 HA CYS 15 3.009 -2.303 -0.110 83 HB2 CYS 15 1HB CYS 15 3.332 -2.414 2.413 84 HB3 CYS 15 2HB CYS 15 4.676 -3.507 2.099 85 H ASP 16 H ASP 16 4.813 -2.125 -1.426 86 HA ASP 16 HA ASP 16 5.783 -4.649 -2.500 87 HB2 ASP 16 1HB ASP 16 4.971 -2.595 -3.870 88 HB3 ASP 16 2HB ASP 16 6.570 -1.938 -3.529 89 H VAL 17 H VAL 17 6.655 -3.414 0.135 90 HA VAL 17 HA VAL 17 9.541 -3.662 -0.365 91 HB VAL 17 HB VAL 17 8.267 -1.627 1.469 92 HG11 VAL 17 1HG1 VAL 17 11.195 -1.973 0.869 93 HG12 VAL 17 2HG1 VAL 17 10.447 -0.944 2.092 94 HG13 VAL 17 3HG1 VAL 17 10.408 -2.699 2.270 95 HG21 VAL 17 3HG2 VAL 17 9.884 -1.245 -1.050 96 HG22 VAL 17 1HG2 VAL 17 8.139 -1.028 -0.906 97 HG23 VAL 17 2HG2 VAL 17 9.236 0.035 -0.023 98 H CYS 18 H CYS 18 7.228 -3.344 2.337 99 HA CYS 18 HA CYS 18 8.690 -5.470 3.741 100 HB2 CYS 18 1HB CYS 18 7.459 -4.655 5.760 101 HB3 CYS 18 2HB CYS 18 8.517 -3.447 5.036 102 H ARG 19 H ARG 19 6.231 -5.295 1.685 103 HA ARG 19 HA ARG 19 4.327 -6.480 1.266 104 HB2 ARG 19 1HB ARG 19 5.715 -8.545 2.984 105 HB3 ARG 19 2HB ARG 19 4.431 -8.853 1.823 106 HG2 ARG 19 1HG ARG 19 7.185 -7.822 1.175 107 HG3 ARG 19 2HG ARG 19 6.604 -9.470 0.926 108 HD2 ARG 19 1HD ARG 19 4.708 -8.190 -0.419 109 HD3 ARG 19 2HD ARG 19 5.983 -6.981 -0.572 110 HE ARG 19 HE ARG 19 7.108 -8.386 -1.997 111 HH11 ARG 19 1HH1 ARG 19 4.566 -10.145 -0.396 112 HH12 ARG 19 2HH1 ARG 19 4.734 -11.552 -1.392 113 HH21 ARG 19 1HH2 ARG 19 7.339 -10.233 -3.315 114 HH22 ARG 19 2HH2 ARG 19 6.312 -11.601 -3.052 115 H LYS 20 H LYS 20 4.146 -4.706 3.477 116 HA LYS 20 HA LYS 20 2.732 -6.071 5.595 117 HB2 LYS 20 1HB LYS 20 4.174 -4.035 5.945 118 HB3 LYS 20 2HB LYS 20 2.941 -3.097 5.112 119 HG2 LYS 20 1HG LYS 20 1.358 -3.474 6.817 120 HG3 LYS 20 2HG LYS 20 2.341 -4.743 7.551 121 HD2 LYS 20 1HD LYS 20 3.291 -1.899 7.329 122 HD3 LYS 20 2HD LYS 20 2.339 -2.470 8.701 123 HE2 LYS 20 1HE LYS 20 4.852 -3.861 7.825 124 HE3 LYS 20 2HE LYS 20 4.891 -2.485 8.926 125 HZ1 LYS 20 3HZ LYS 20 4.520 -5.104 9.618 126 HZ2 LYS 20 1HZ LYS 20 2.970 -4.436 9.728 127 HZ3 LYS 20 2HZ LYS 20 4.246 -3.760 10.608 128 H ALA 21 H ALA 21 0.599 -6.375 5.745 129 HA ALA 21 HA ALA 21 -1.089 -5.412 3.570 130 HB1 ALA 21 3HB ALA 21 -1.435 -7.515 5.682 131 HB2 ALA 21 1HB ALA 21 -2.788 -6.956 4.697 132 HB3 ALA 21 2HB ALA 21 -1.386 -7.704 3.929 133 H PHE 22 H PHE 22 -2.720 -3.977 3.794 134 HA PHE 22 HA PHE 22 -3.291 -2.969 6.501 135 HB2 PHE 22 1HB PHE 22 -3.162 -1.265 4.007 136 HB3 PHE 22 2HB PHE 22 -3.398 -0.709 5.661 137 HD1 PHE 22 HD1 PHE 22 -0.955 -2.367 3.420 138 HD2 PHE 22 HD2 PHE 22 -1.575 -0.163 7.008 139 HE1 PHE 22 HE1 PHE 22 1.478 -2.098 3.671 140 HE2 PHE 22 HE2 PHE 22 0.856 0.111 7.264 141 HZ PHE 22 HZ PHE 22 2.386 -0.856 5.594 142 H SER 23 H SER 23 -5.386 -2.781 7.029 143 HA SER 23 HA SER 23 -7.379 -3.961 5.437 144 HB2 SER 23 1HB SER 23 -7.755 -2.066 7.769 145 HB3 SER 23 2HB SER 23 -8.953 -3.196 7.138 146 HG SER 23 HG SER 23 -6.889 -4.671 7.614 147 H HIS 24 H HIS 24 -6.691 -0.549 6.151 148 HA HIS 24 HA HIS 24 -8.613 0.242 4.081 149 HB2 HIS 24 1HB HIS 24 -8.677 1.263 6.411 150 HB3 HIS 24 2HB HIS 24 -7.168 2.072 5.998 151 HD1 HIS 24 HD1 HIS 24 -9.951 3.493 6.596 152 HD2 HIS 24 HD2 HIS 24 -8.290 2.801 2.850 153 HE1 HIS 24 HE1 HIS 24 -10.992 5.201 5.072 154 H HIS 25 H HIS 25 -7.905 0.761 2.128 155 HA HIS 25 HA HIS 25 -5.467 0.562 1.072 156 HB2 HIS 25 1HB HIS 25 -7.659 1.315 -0.053 157 HB3 HIS 25 2HB HIS 25 -7.130 2.954 0.314 158 HD1 HIS 25 HD1 HIS 25 -6.088 -0.071 -1.695 159 HD2 HIS 25 HD2 HIS 25 -5.272 3.994 -1.417 160 HE1 HIS 25 HE1 HIS 25 -4.641 0.462 -3.682 161 H ALA 26 H ALA 26 -6.640 3.760 2.141 162 HA ALA 26 HA ALA 26 -4.498 5.324 1.911 163 HB1 ALA 26 3HB ALA 26 -6.349 6.310 2.921 164 HB2 ALA 26 1HB ALA 26 -6.410 5.105 4.208 165 HB3 ALA 26 2HB ALA 26 -5.131 6.321 4.197 166 H SER 27 H SER 27 -4.958 3.511 4.951 167 HA SER 27 HA SER 27 -2.631 3.911 6.214 168 HB2 SER 27 1HB SER 27 -4.186 1.349 5.907 169 HB3 SER 27 2HB SER 27 -2.759 1.440 6.939 170 HG SER 27 HG SER 27 -4.501 1.906 8.216 171 H LEU 28 H LEU 28 -3.066 1.664 3.513 172 HA LEU 28 HA LEU 28 -0.349 0.776 3.524 173 HB2 LEU 28 1HB LEU 28 -1.836 -0.752 2.602 174 HB3 LEU 28 2HB LEU 28 -2.667 0.482 1.657 175 HG LEU 28 HG LEU 28 -0.692 0.618 0.171 176 HD11 LEU 28 1HD1 LEU 28 0.586 -0.732 2.242 177 HD12 LEU 28 2HD1 LEU 28 1.247 -0.349 0.653 178 HD13 LEU 28 3HD1 LEU 28 0.472 -1.908 0.932 179 HD21 LEU 28 3HD2 LEU 28 -1.319 -2.253 0.104 180 HD22 LEU 28 1HD2 LEU 28 -1.509 -1.017 -1.139 181 HD23 LEU 28 2HD2 LEU 28 -2.717 -1.178 0.137 182 H THR 29 H THR 29 -2.196 3.149 1.667 183 HA THR 29 HA THR 29 -0.139 3.819 -0.152 184 HB THR 29 HB THR 29 -2.647 5.215 0.732 185 HG1 THR 29 HG1 THR 29 -3.126 3.786 -0.817 186 HG21 THR 29 3HG2 THR 29 -1.707 7.191 0.232 187 HG22 THR 29 1HG2 THR 29 -1.788 6.652 -1.445 188 HG23 THR 29 2HG2 THR 29 -0.303 6.434 -0.519 189 H GLN 30 H GLN 30 -1.350 5.663 2.658 190 HA GLN 30 HA GLN 30 0.618 7.615 2.683 191 HB2 GLN 30 1HB GLN 30 -1.334 7.883 4.041 192 HB3 GLN 30 2HB GLN 30 -0.981 6.415 4.943 193 HG2 GLN 30 1HG GLN 30 1.216 7.697 5.566 194 HG3 GLN 30 2HG GLN 30 0.252 9.113 5.151 195 HE21 GLN 30 1HE2 GLN 30 1.206 7.246 7.634 196 HE22 GLN 30 2HE2 GLN 30 -0.100 7.509 8.735 197 H HIS 31 H HIS 31 0.610 4.418 4.187 198 HA HIS 31 HA HIS 31 2.898 4.601 5.734 199 HB2 HIS 31 1HB HIS 31 1.809 2.611 6.087 200 HB3 HIS 31 2HB HIS 31 1.468 2.370 4.376 201 HD1 HIS 31 HD1 HIS 31 4.156 1.854 6.946 202 HD2 HIS 31 HD2 HIS 31 3.367 0.904 2.979 203 HE1 HIS 31 HE1 HIS 31 5.912 0.175 6.294 204 H GLN 32 H GLN 32 2.618 3.691 2.311 205 HA GLN 32 HA GLN 32 5.063 2.932 1.576 206 HB2 GLN 32 1HB GLN 32 3.449 5.076 0.187 207 HB3 GLN 32 2HB GLN 32 4.786 4.199 -0.545 208 HG2 GLN 32 1HG GLN 32 2.117 3.125 0.312 209 HG3 GLN 32 2HG GLN 32 2.798 3.188 -1.313 210 HE21 GLN 32 1HE2 GLN 32 5.011 2.029 -1.427 211 HE22 GLN 32 2HE2 GLN 32 5.053 0.457 -0.712 212 H ARG 33 H ARG 33 4.231 6.170 2.630 213 HA ARG 33 HA ARG 33 6.338 7.696 1.860 214 HB2 ARG 33 1HB ARG 33 4.865 7.595 4.479 215 HB3 ARG 33 2HB ARG 33 6.146 8.768 4.203 216 HG2 ARG 33 1HG ARG 33 4.836 9.435 2.112 217 HG3 ARG 33 2HG ARG 33 3.500 8.524 2.819 218 HD2 ARG 33 1HD ARG 33 3.044 10.589 3.676 219 HD3 ARG 33 2HD ARG 33 4.107 9.976 4.942 220 HE ARG 33 HE ARG 33 5.616 11.315 2.963 221 HH11 ARG 33 1HH1 ARG 33 3.416 11.915 5.594 222 HH12 ARG 33 2HH1 ARG 33 4.052 13.489 5.939 223 HH21 ARG 33 1HH2 ARG 33 6.462 13.386 3.407 224 HH22 ARG 33 2HH2 ARG 33 5.784 14.325 4.694 225 H VAL 34 H VAL 34 6.314 5.713 4.827 226 HA VAL 34 HA VAL 34 8.727 6.075 5.893 227 HB VAL 34 HB VAL 34 8.849 3.695 6.491 228 HG11 VAL 34 1HG1 VAL 34 6.351 3.547 7.295 229 HG12 VAL 34 2HG1 VAL 34 7.445 4.765 7.955 230 HG13 VAL 34 3HG1 VAL 34 6.290 5.205 6.696 231 HG21 VAL 34 3HG2 VAL 34 6.769 2.347 5.610 232 HG22 VAL 34 1HG2 VAL 34 6.904 3.459 4.248 233 HG23 VAL 34 2HG2 VAL 34 8.264 2.420 4.676 234 H HIS 35 H HIS 35 8.169 4.110 2.989 235 HA HIS 35 HA HIS 35 11.013 3.686 2.622 236 HB2 HIS 35 1HB HIS 35 8.859 2.977 0.641 237 HB3 HIS 35 2HB HIS 35 10.434 2.221 0.862 238 HD1 HIS 35 HD1 HIS 35 10.591 1.211 3.545 239 HD2 HIS 35 HD2 HIS 35 6.923 1.374 1.601 240 HE1 HIS 35 HE1 HIS 35 9.119 -0.437 4.746 241 H SER 36 H SER 36 12.097 5.462 2.004 242 HA SER 36 HA SER 36 11.188 7.655 0.627 243 HB2 SER 36 1HB SER 36 13.621 7.910 -0.130 244 HB3 SER 36 2HB SER 36 13.341 7.796 1.607 245 HG SER 36 HG SER 36 13.637 5.336 0.744 246 H GLY 37 H GLY 37 12.365 4.598 -0.682 247 HA2 GLY 37 1HA GLY 37 11.192 3.914 -2.772 248 HA3 GLY 37 2HA GLY 37 11.543 5.531 -3.364 249 H GLU 38 H GLU 38 12.388 3.912 -5.094 250 HA GLU 38 HA GLU 38 14.882 2.631 -4.586 251 HB2 GLU 38 1HB GLU 38 13.301 3.274 -7.051 252 HB3 GLU 38 2HB GLU 38 14.955 2.696 -7.197 253 HG2 GLU 38 1HG GLU 38 14.388 0.669 -6.006 254 HG3 GLU 38 2HG GLU 38 12.744 1.253 -5.753 255 H LYS 39 H LYS 39 14.111 5.831 -4.763 256 HA LYS 39 HA LYS 39 16.886 6.544 -5.376 257 HB2 LYS 39 1HB LYS 39 16.109 8.514 -6.669 258 HB3 LYS 39 2HB LYS 39 15.697 6.985 -7.434 259 HG2 LYS 39 1HG LYS 39 13.414 7.194 -6.449 260 HG3 LYS 39 2HG LYS 39 13.862 8.812 -5.902 261 HD2 LYS 39 1HD LYS 39 14.113 7.986 -8.780 262 HD3 LYS 39 2HD LYS 39 12.601 8.615 -8.121 263 HE2 LYS 39 1HE LYS 39 15.131 10.128 -7.665 264 HE3 LYS 39 2HE LYS 39 14.352 10.216 -9.244 265 HZ1 LYS 39 3HZ LYS 39 12.342 11.000 -8.193 266 HZ2 LYS 39 1HZ LYS 39 13.636 11.996 -7.751 267 HZ3 LYS 39 2HZ LYS 39 13.037 10.853 -6.658 268 HA PRO 40 HA PRO 40 16.503 8.928 -1.693 269 HB2 PRO 40 1HB PRO 40 18.578 10.636 -2.078 270 HB3 PRO 40 2HB PRO 40 18.800 8.937 -1.642 271 HG2 PRO 40 1HG PRO 40 18.985 10.243 -4.329 272 HG3 PRO 40 2HG PRO 40 20.043 9.018 -3.605 273 HD2 PRO 40 1HD PRO 40 18.129 8.401 -5.418 274 HD3 PRO 40 2HD PRO 40 18.604 7.291 -4.117 275 H SER 41 H SER 41 14.641 10.115 -1.768 276 HA SER 41 HA SER 41 14.883 12.833 -2.823 277 HB2 SER 41 1HB SER 41 12.759 12.765 -3.946 278 HB3 SER 41 2HB SER 41 13.709 11.399 -4.529 279 HG SER 41 HG SER 41 11.550 11.397 -2.707 280 H GLY 42 H GLY 42 14.251 14.283 -1.365 281 HA2 GLY 42 1HA GLY 42 12.177 13.539 0.579 282 HA3 GLY 42 2HA GLY 42 13.724 14.123 1.173 283 HA PRO 43 HA PRO 43 10.650 17.619 0.123 284 HB2 PRO 43 1HB PRO 43 9.824 18.215 2.639 285 HB3 PRO 43 2HB PRO 43 8.983 17.059 1.600 286 HG2 PRO 43 1HG PRO 43 10.934 16.548 3.812 287 HG3 PRO 43 2HG PRO 43 9.416 15.708 3.443 288 HD2 PRO 43 1HD PRO 43 11.838 14.711 2.755 289 HD3 PRO 43 2HD PRO 43 10.380 14.434 1.781 290 H SER 44 H SER 44 10.726 19.871 1.217 291 HA SER 44 HA SER 44 13.275 20.390 2.544 292 HB2 SER 44 1HB SER 44 13.760 22.248 0.926 293 HB3 SER 44 2HB SER 44 13.875 20.635 0.223 294 HG SER 44 HG SER 44 12.571 21.474 -1.209 295 H SER 45 H SER 45 12.936 21.705 4.199 296 HA SER 45 HA SER 45 10.742 23.663 4.020 297 HB2 SER 45 1HB SER 45 11.564 22.024 6.428 298 HB3 SER 45 2HB SER 45 10.382 23.331 6.461 299 HG SER 45 HG SER 45 9.495 21.884 4.580 300 H GLY 46 H GLY 46 11.011 25.593 5.305 301 HA2 GLY 46 1HA GLY 46 12.856 26.546 6.908 302 HA3 GLY 46 2HA GLY 46 13.833 26.367 5.458 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -5.361 -30.746 14.471 2 HA2 GLY 1 1HA GLY 1 -5.542 -32.417 12.042 3 HA3 GLY 1 2HA GLY 1 -6.815 -31.289 12.484 4 H SER 2 H SER 2 -6.055 -30.807 10.099 5 HA SER 2 HA SER 2 -3.700 -29.186 9.865 6 HB2 SER 2 1HB SER 2 -6.020 -29.627 7.971 7 HB3 SER 2 2HB SER 2 -4.561 -28.723 7.567 8 HG SER 2 HG SER 2 -4.968 -31.388 7.569 9 H SER 3 H SER 3 -3.575 -27.217 10.698 10 HA SER 3 HA SER 3 -5.971 -25.636 11.135 11 HB2 SER 3 1HB SER 3 -3.089 -24.971 11.785 12 HB3 SER 3 2HB SER 3 -4.518 -24.121 12.373 13 HG SER 3 HG SER 3 -5.102 -25.966 13.515 14 H GLY 4 H GLY 4 -2.891 -25.309 9.382 15 HA2 GLY 4 1HA GLY 4 -3.032 -24.445 7.083 16 HA3 GLY 4 2HA GLY 4 -4.212 -23.287 7.679 17 H SER 5 H SER 5 -3.220 -21.387 7.274 18 HA SER 5 HA SER 5 -0.885 -20.750 8.878 19 HB2 SER 5 1HB SER 5 0.412 -19.862 7.015 20 HB3 SER 5 2HB SER 5 0.058 -21.566 6.731 21 HG SER 5 HG SER 5 -1.591 -20.937 5.319 22 H SER 6 H SER 6 -0.955 -18.714 9.628 23 HA SER 6 HA SER 6 -2.900 -16.871 8.398 24 HB2 SER 6 1HB SER 6 -3.333 -15.974 10.662 25 HB3 SER 6 2HB SER 6 -3.744 -17.685 10.545 26 HG SER 6 HG SER 6 -1.954 -18.202 11.700 27 H GLY 7 H GLY 7 -1.224 -15.930 7.145 28 HA2 GLY 7 1HA GLY 7 -0.175 -13.581 7.870 29 HA3 GLY 7 2HA GLY 7 1.015 -14.695 8.529 30 H THR 8 H THR 8 -0.815 -14.983 5.513 31 HA THR 8 HA THR 8 1.709 -14.677 4.029 32 HB THR 8 HB THR 8 -0.424 -16.699 3.331 33 HG1 THR 8 HG1 THR 8 1.228 -16.878 5.315 34 HG21 THR 8 3HG2 THR 8 0.711 -17.016 1.439 35 HG22 THR 8 1HG2 THR 8 2.224 -17.212 2.323 36 HG23 THR 8 2HG2 THR 8 1.685 -15.603 1.843 37 H GLY 9 H GLY 9 -0.162 -12.626 4.420 38 HA2 GLY 9 1HA GLY 9 -1.135 -10.971 3.149 39 HA3 GLY 9 2HA GLY 9 -0.658 -11.871 1.717 40 H GLU 10 H GLU 10 -3.188 -11.240 4.003 41 HA GLU 10 HA GLU 10 -5.002 -13.003 2.503 42 HB2 GLU 10 1HB GLU 10 -4.888 -13.445 4.914 43 HB3 GLU 10 2HB GLU 10 -5.335 -11.777 5.247 44 HG2 GLU 10 1HG GLU 10 -7.518 -12.085 4.465 45 HG3 GLU 10 2HG GLU 10 -7.105 -13.593 3.651 46 H LYS 11 H LYS 11 -4.342 -9.716 3.384 47 HA LYS 11 HA LYS 11 -6.908 -8.757 2.410 48 HB2 LYS 11 1HB LYS 11 -4.576 -7.557 3.818 49 HB3 LYS 11 2HB LYS 11 -5.567 -6.490 2.832 50 HG2 LYS 11 1HG LYS 11 -6.648 -6.264 4.811 51 HG3 LYS 11 2HG LYS 11 -7.521 -7.662 4.178 52 HD2 LYS 11 1HD LYS 11 -5.055 -8.174 5.751 53 HD3 LYS 11 2HD LYS 11 -6.485 -7.623 6.628 54 HE2 LYS 11 1HE LYS 11 -7.775 -9.463 5.590 55 HE3 LYS 11 2HE LYS 11 -6.294 -10.035 4.826 56 HZ1 LYS 11 3HZ LYS 11 -5.393 -10.654 6.857 57 HZ2 LYS 11 1HZ LYS 11 -7.016 -11.106 7.014 58 HZ3 LYS 11 2HZ LYS 11 -6.456 -9.691 7.753 59 HA PRO 12 HA PRO 12 -5.636 -7.956 -1.718 60 HB2 PRO 12 1HB PRO 12 -7.201 -5.816 -2.305 61 HB3 PRO 12 2HB PRO 12 -7.836 -7.460 -2.159 62 HG2 PRO 12 1HG PRO 12 -7.869 -5.231 -0.160 63 HG3 PRO 12 2HG PRO 12 -9.158 -6.373 -0.585 64 HD2 PRO 12 1HD PRO 12 -7.623 -6.666 1.626 65 HD3 PRO 12 2HD PRO 12 -8.278 -8.050 0.728 66 H TYR 13 H TYR 13 -5.021 -5.813 0.822 67 HA TYR 13 HA TYR 13 -3.469 -4.017 -0.918 68 HB2 TYR 13 1HB TYR 13 -4.369 -3.568 1.935 69 HB3 TYR 13 2HB TYR 13 -3.524 -2.406 0.918 70 HD1 TYR 13 HD1 TYR 13 -6.723 -4.092 1.541 71 HD2 TYR 13 HD2 TYR 13 -4.686 -1.207 -0.832 72 HE1 TYR 13 HE1 TYR 13 -8.883 -3.252 0.719 73 HE2 TYR 13 HE2 TYR 13 -6.840 -0.358 -1.660 74 HH TYR 13 HH TYR 13 -9.052 -0.736 -1.759 75 H GLU 14 H GLU 14 -1.366 -4.399 -0.996 76 HA GLU 14 HA GLU 14 0.024 -5.240 1.445 77 HB2 GLU 14 1HB GLU 14 -0.404 -7.258 0.083 78 HB3 GLU 14 2HB GLU 14 0.437 -6.510 -1.268 79 HG2 GLU 14 1HG GLU 14 2.471 -6.384 0.186 80 HG3 GLU 14 2HG GLU 14 1.600 -7.357 1.371 81 H CYS 15 H CYS 15 2.186 -4.595 1.590 82 HA CYS 15 HA CYS 15 2.827 -2.255 0.021 83 HB2 CYS 15 1HB CYS 15 3.224 -2.745 2.595 84 HB3 CYS 15 2HB CYS 15 4.739 -3.414 1.999 85 H ASP 16 H ASP 16 4.266 -2.111 -1.592 86 HA ASP 16 HA ASP 16 5.414 -4.544 -2.637 87 HB2 ASP 16 1HB ASP 16 4.385 -2.542 -3.955 88 HB3 ASP 16 2HB ASP 16 5.975 -1.813 -3.749 89 H VAL 17 H VAL 17 6.366 -3.095 -0.091 90 HA VAL 17 HA VAL 17 9.228 -3.139 -0.795 91 HB VAL 17 HB VAL 17 7.875 -1.307 1.191 92 HG11 VAL 17 1HG1 VAL 17 9.930 -1.854 2.176 93 HG12 VAL 17 2HG1 VAL 17 10.772 -1.859 0.625 94 HG13 VAL 17 3HG1 VAL 17 10.234 -0.336 1.332 95 HG21 VAL 17 3HG2 VAL 17 9.298 -0.755 -1.411 96 HG22 VAL 17 1HG2 VAL 17 7.575 -0.562 -1.088 97 HG23 VAL 17 2HG2 VAL 17 8.746 0.480 -0.279 98 H CYS 18 H CYS 18 7.014 -3.274 2.001 99 HA CYS 18 HA CYS 18 8.743 -5.372 3.141 100 HB2 CYS 18 1HB CYS 18 7.932 -4.650 5.361 101 HB3 CYS 18 2HB CYS 18 8.775 -3.358 4.511 102 H ARG 19 H ARG 19 6.325 -5.461 1.307 103 HA ARG 19 HA ARG 19 4.275 -6.504 1.150 104 HB2 ARG 19 1HB ARG 19 6.249 -8.406 2.314 105 HB3 ARG 19 2HB ARG 19 4.570 -8.921 2.227 106 HG2 ARG 19 1HG ARG 19 5.690 -9.699 0.275 107 HG3 ARG 19 2HG ARG 19 4.602 -8.395 -0.205 108 HD2 ARG 19 1HD ARG 19 6.320 -6.943 -0.655 109 HD3 ARG 19 2HD ARG 19 7.417 -7.720 0.485 110 HE ARG 19 HE ARG 19 8.131 -9.094 -1.198 111 HH11 ARG 19 1HH1 ARG 19 5.130 -7.604 -2.144 112 HH12 ARG 19 2HH1 ARG 19 5.192 -8.205 -3.768 113 HH21 ARG 19 1HH2 ARG 19 8.224 -9.891 -3.333 114 HH22 ARG 19 2HH2 ARG 19 6.953 -9.507 -4.443 115 H LYS 20 H LYS 20 3.827 -4.736 3.024 116 HA LYS 20 HA LYS 20 2.905 -6.067 5.453 117 HB2 LYS 20 1HB LYS 20 4.163 -3.865 5.487 118 HB3 LYS 20 2HB LYS 20 2.727 -3.128 4.787 119 HG2 LYS 20 1HG LYS 20 1.486 -3.397 6.708 120 HG3 LYS 20 2HG LYS 20 2.494 -4.720 7.300 121 HD2 LYS 20 1HD LYS 20 4.353 -2.910 7.413 122 HD3 LYS 20 2HD LYS 20 3.006 -1.770 7.364 123 HE2 LYS 20 1HE LYS 20 2.184 -2.450 9.410 124 HE3 LYS 20 2HE LYS 20 2.943 -4.038 9.304 125 HZ1 LYS 20 3HZ LYS 20 4.151 -2.841 10.904 126 HZ2 LYS 20 1HZ LYS 20 4.226 -1.448 9.945 127 HZ3 LYS 20 2HZ LYS 20 5.120 -2.819 9.517 128 H ALA 21 H ALA 21 0.832 -6.528 5.869 129 HA ALA 21 HA ALA 21 -1.138 -5.997 3.801 130 HB1 ALA 21 3HB ALA 21 -2.554 -7.395 5.539 131 HB2 ALA 21 1HB ALA 21 -1.399 -8.167 4.453 132 HB3 ALA 21 2HB ALA 21 -0.951 -7.837 6.127 133 H PHE 22 H PHE 22 -2.911 -4.714 4.000 134 HA PHE 22 HA PHE 22 -3.365 -3.365 6.568 135 HB2 PHE 22 1HB PHE 22 -3.319 -1.940 3.901 136 HB3 PHE 22 2HB PHE 22 -3.598 -1.210 5.478 137 HD1 PHE 22 HD1 PHE 22 -1.091 -2.706 3.258 138 HD2 PHE 22 HD2 PHE 22 -1.784 -0.727 6.962 139 HE1 PHE 22 HE1 PHE 22 1.325 -2.300 3.489 140 HE2 PHE 22 HE2 PHE 22 0.630 -0.317 7.199 141 HZ PHE 22 HZ PHE 22 2.188 -1.103 5.461 142 H SER 23 H SER 23 -5.478 -1.995 6.364 143 HA SER 23 HA SER 23 -7.522 -3.833 5.389 144 HB2 SER 23 1HB SER 23 -9.069 -2.584 6.778 145 HB3 SER 23 2HB SER 23 -7.625 -2.954 7.722 146 HG SER 23 HG SER 23 -7.399 -0.896 8.002 147 H HIS 24 H HIS 24 -6.908 -0.320 5.285 148 HA HIS 24 HA HIS 24 -8.389 -0.236 2.738 149 HB2 HIS 24 1HB HIS 24 -9.575 1.060 4.362 150 HB3 HIS 24 2HB HIS 24 -8.097 1.852 4.900 151 HD1 HIS 24 HD1 HIS 24 -9.160 1.476 1.293 152 HD2 HIS 24 HD2 HIS 24 -8.737 4.422 4.191 153 HE1 HIS 24 HE1 HIS 24 -9.507 3.657 0.090 154 H HIS 25 H HIS 25 -7.494 0.806 0.998 155 HA HIS 25 HA HIS 25 -4.877 0.733 0.437 156 HB2 HIS 25 1HB HIS 25 -6.873 1.547 -1.017 157 HB3 HIS 25 2HB HIS 25 -6.407 3.155 -0.468 158 HD1 HIS 25 HD1 HIS 25 -4.743 0.167 -2.142 159 HD2 HIS 25 HD2 HIS 25 -4.560 4.317 -2.062 160 HE1 HIS 25 HE1 HIS 25 -3.034 0.798 -3.875 161 H ALA 26 H ALA 26 -6.416 3.734 1.611 162 HA ALA 26 HA ALA 26 -4.425 5.459 1.891 163 HB1 ALA 26 3HB ALA 26 -6.156 6.409 2.939 164 HB2 ALA 26 1HB ALA 26 -6.769 4.862 3.523 165 HB3 ALA 26 2HB ALA 26 -5.488 5.694 4.406 166 H SER 27 H SER 27 -5.058 3.262 4.631 167 HA SER 27 HA SER 27 -2.903 3.647 6.171 168 HB2 SER 27 1HB SER 27 -4.800 1.787 6.220 169 HB3 SER 27 2HB SER 27 -3.499 0.782 5.581 170 HG SER 27 HG SER 27 -2.303 1.886 7.473 171 H LEU 28 H LEU 28 -2.907 1.606 3.267 172 HA LEU 28 HA LEU 28 -0.136 0.946 3.467 173 HB2 LEU 28 1HB LEU 28 -1.393 -0.615 2.295 174 HB3 LEU 28 2HB LEU 28 -2.247 0.621 1.374 175 HG LEU 28 HG LEU 28 -0.188 1.039 0.079 176 HD11 LEU 28 1HD1 LEU 28 1.623 -0.675 0.241 177 HD12 LEU 28 2HD1 LEU 28 0.878 -1.236 1.738 178 HD13 LEU 28 3HD1 LEU 28 1.508 0.407 1.630 179 HD21 LEU 28 3HD2 LEU 28 -1.657 -1.515 0.116 180 HD22 LEU 28 1HD2 LEU 28 -0.152 -1.507 -0.804 181 HD23 LEU 28 2HD2 LEU 28 -1.428 -0.352 -1.190 182 H THR 29 H THR 29 -2.005 3.332 1.657 183 HA THR 29 HA THR 29 0.063 4.296 0.023 184 HB THR 29 HB THR 29 -2.440 5.625 1.058 185 HG1 THR 29 HG1 THR 29 -1.857 4.991 -1.628 186 HG21 THR 29 3HG2 THR 29 -1.686 7.610 0.391 187 HG22 THR 29 1HG2 THR 29 -1.457 6.967 -1.235 188 HG23 THR 29 2HG2 THR 29 -0.141 6.891 -0.063 189 H GLN 30 H GLN 30 -1.216 5.690 3.052 190 HA GLN 30 HA GLN 30 0.702 7.701 3.317 191 HB2 GLN 30 1HB GLN 30 -0.754 6.250 5.532 192 HB3 GLN 30 2HB GLN 30 0.020 7.823 5.660 193 HG2 GLN 30 1HG GLN 30 -1.594 8.468 3.724 194 HG3 GLN 30 2HG GLN 30 -2.506 7.063 4.275 195 HE21 GLN 30 1HE2 GLN 30 -1.213 10.180 5.228 196 HE22 GLN 30 2HE2 GLN 30 -2.312 10.449 6.534 197 H HIS 31 H HIS 31 0.721 4.346 4.396 198 HA HIS 31 HA HIS 31 3.019 4.456 6.002 199 HB2 HIS 31 1HB HIS 31 1.797 2.500 6.275 200 HB3 HIS 31 2HB HIS 31 1.586 2.268 4.542 201 HD1 HIS 31 HD1 HIS 31 4.309 2.015 7.172 202 HD2 HIS 31 HD2 HIS 31 3.340 0.517 3.420 203 HE1 HIS 31 HE1 HIS 31 6.041 0.260 6.681 204 H GLN 32 H GLN 32 2.657 3.552 2.578 205 HA GLN 32 HA GLN 32 5.093 2.818 1.793 206 HB2 GLN 32 1HB GLN 32 3.150 4.697 0.511 207 HB3 GLN 32 2HB GLN 32 4.710 4.424 -0.254 208 HG2 GLN 32 1HG GLN 32 4.092 1.909 0.031 209 HG3 GLN 32 2HG GLN 32 2.449 2.531 0.166 210 HE21 GLN 32 1HE2 GLN 32 2.286 1.139 -1.803 211 HE22 GLN 32 2HE2 GLN 32 2.608 1.885 -3.328 212 H ARG 33 H ARG 33 4.234 6.089 2.758 213 HA ARG 33 HA ARG 33 6.333 7.598 1.948 214 HB2 ARG 33 1HB ARG 33 4.776 7.571 4.505 215 HB3 ARG 33 2HB ARG 33 6.139 8.669 4.338 216 HG2 ARG 33 1HG ARG 33 5.061 9.539 2.249 217 HG3 ARG 33 2HG ARG 33 3.643 8.576 2.667 218 HD2 ARG 33 1HD ARG 33 3.145 9.870 4.513 219 HD3 ARG 33 2HD ARG 33 4.804 10.441 4.687 220 HE ARG 33 HE ARG 33 2.743 11.712 3.246 221 HH11 ARG 33 1HH1 ARG 33 6.137 10.967 3.035 222 HH12 ARG 33 2HH1 ARG 33 6.509 12.337 2.042 223 HH21 ARG 33 1HH2 ARG 33 3.220 13.520 1.940 224 HH22 ARG 33 2HH2 ARG 33 4.850 13.789 1.421 225 H VAL 34 H VAL 34 6.323 5.693 4.965 226 HA VAL 34 HA VAL 34 8.742 6.110 6.013 227 HB VAL 34 HB VAL 34 8.866 3.762 6.710 228 HG11 VAL 34 1HG1 VAL 34 7.447 4.749 8.170 229 HG12 VAL 34 2HG1 VAL 34 6.385 5.354 6.898 230 HG13 VAL 34 3HG1 VAL 34 6.279 3.669 7.410 231 HG21 VAL 34 3HG2 VAL 34 6.732 2.417 5.850 232 HG22 VAL 34 1HG2 VAL 34 7.009 3.420 4.427 233 HG23 VAL 34 2HG2 VAL 34 8.286 2.357 5.019 234 H HIS 35 H HIS 35 8.152 4.192 3.104 235 HA HIS 35 HA HIS 35 10.989 3.662 2.768 236 HB2 HIS 35 1HB HIS 35 8.804 2.994 0.802 237 HB3 HIS 35 2HB HIS 35 10.376 2.222 0.987 238 HD1 HIS 35 HD1 HIS 35 10.553 1.253 3.711 239 HD2 HIS 35 HD2 HIS 35 6.897 1.346 1.740 240 HE1 HIS 35 HE1 HIS 35 9.096 -0.403 4.919 241 H SER 36 H SER 36 8.405 5.411 1.071 242 HA SER 36 HA SER 36 9.517 6.337 -1.165 243 HB2 SER 36 1HB SER 36 7.344 7.130 -0.457 244 HB3 SER 36 2HB SER 36 8.060 8.022 0.885 245 HG SER 36 HG SER 36 8.828 8.546 -1.776 246 H GLY 37 H GLY 37 10.042 8.032 1.937 247 HA2 GLY 37 1HA GLY 37 12.723 8.287 1.994 248 HA3 GLY 37 2HA GLY 37 12.269 9.499 0.805 249 H GLU 38 H GLU 38 13.568 10.369 2.980 250 HA GLU 38 HA GLU 38 11.448 11.653 4.572 251 HB2 GLU 38 1HB GLU 38 12.944 11.692 6.487 252 HB3 GLU 38 2HB GLU 38 12.729 10.040 5.924 253 HG2 GLU 38 1HG GLU 38 14.890 10.239 4.711 254 HG3 GLU 38 2HG GLU 38 15.111 11.818 5.463 255 H LYS 39 H LYS 39 11.345 13.771 4.290 256 HA LYS 39 HA LYS 39 13.788 15.320 3.926 257 HB2 LYS 39 1HB LYS 39 11.598 15.069 1.898 258 HB3 LYS 39 2HB LYS 39 12.468 16.590 2.049 259 HG2 LYS 39 1HG LYS 39 14.439 15.699 1.282 260 HG3 LYS 39 2HG LYS 39 14.012 14.057 1.770 261 HD2 LYS 39 1HD LYS 39 13.792 13.940 -0.527 262 HD3 LYS 39 2HD LYS 39 12.139 14.307 -0.027 263 HE2 LYS 39 1HE LYS 39 12.283 16.514 -0.734 264 HE3 LYS 39 2HE LYS 39 14.045 16.516 -0.692 265 HZ1 LYS 39 3HZ LYS 39 12.977 16.449 -2.957 266 HZ2 LYS 39 1HZ LYS 39 12.510 14.861 -2.607 267 HZ3 LYS 39 2HZ LYS 39 14.151 15.268 -2.661 268 HA PRO 40 HA PRO 40 11.668 18.119 6.578 269 HB2 PRO 40 1HB PRO 40 13.046 20.390 6.018 270 HB3 PRO 40 2HB PRO 40 13.723 19.068 6.976 271 HG2 PRO 40 1HG PRO 40 14.132 19.712 4.081 272 HG3 PRO 40 2HG PRO 40 15.323 19.211 5.295 273 HD2 PRO 40 1HD PRO 40 14.280 17.492 3.482 274 HD3 PRO 40 2HD PRO 40 14.757 16.984 5.115 275 H SER 41 H SER 41 10.053 19.652 6.544 276 HA SER 41 HA SER 41 8.548 19.966 4.216 277 HB2 SER 41 1HB SER 41 7.933 20.309 6.753 278 HB3 SER 41 2HB SER 41 8.352 21.989 6.416 279 HG SER 41 HG SER 41 6.849 21.376 4.443 280 H GLY 42 H GLY 42 8.194 21.719 2.831 281 HA2 GLY 42 1HA GLY 42 10.479 23.141 2.026 282 HA3 GLY 42 2HA GLY 42 8.836 23.472 1.497 283 HA PRO 43 HA PRO 43 10.550 26.946 4.198 284 HB2 PRO 43 1HB PRO 43 10.600 28.863 2.275 285 HB3 PRO 43 2HB PRO 43 11.972 27.798 2.606 286 HG2 PRO 43 1HG PRO 43 9.896 27.601 0.458 287 HG3 PRO 43 2HG PRO 43 11.648 27.352 0.347 288 HD2 PRO 43 1HD PRO 43 9.892 25.297 0.504 289 HD3 PRO 43 2HD PRO 43 11.525 25.213 1.195 290 H SER 44 H SER 44 7.846 26.158 2.373 291 HA SER 44 HA SER 44 6.257 28.401 2.309 292 HB2 SER 44 1HB SER 44 5.551 25.511 2.813 293 HB3 SER 44 2HB SER 44 4.321 26.765 2.651 294 HG SER 44 HG SER 44 5.815 25.537 0.733 295 H SER 45 H SER 45 6.309 26.005 4.953 296 HA SER 45 HA SER 45 5.908 26.195 7.185 297 HB2 SER 45 1HB SER 45 7.621 27.965 7.111 298 HB3 SER 45 2HB SER 45 6.378 29.150 6.711 299 HG SER 45 HG SER 45 5.418 28.142 8.808 300 H GLY 46 H GLY 46 3.704 26.015 5.552 301 HA2 GLY 46 1HA GLY 46 1.719 27.909 5.704 302 HA3 GLY 46 2HA GLY 46 1.416 26.178 5.728 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -27.333 -13.384 2.870 2 HA2 GLY 1 1HA GLY 1 -26.555 -14.066 4.920 3 HA3 GLY 1 2HA GLY 1 -25.599 -15.228 4.012 4 H SER 2 H SER 2 -24.707 -14.114 6.397 5 HA SER 2 HA SER 2 -22.358 -12.649 5.434 6 HB2 SER 2 1HB SER 2 -24.113 -11.096 6.476 7 HB3 SER 2 2HB SER 2 -23.723 -11.873 8.010 8 HG SER 2 HG SER 2 -21.598 -10.942 6.468 9 H SER 3 H SER 3 -20.670 -13.878 5.903 10 HA SER 3 HA SER 3 -20.506 -15.097 8.568 11 HB2 SER 3 1HB SER 3 -19.474 -17.129 7.519 12 HB3 SER 3 2HB SER 3 -21.179 -16.911 7.125 13 HG SER 3 HG SER 3 -18.951 -16.791 5.496 14 H GLY 4 H GLY 4 -18.587 -14.835 9.549 15 HA2 GLY 4 1HA GLY 4 -16.534 -13.345 8.115 16 HA3 GLY 4 2HA GLY 4 -16.598 -13.628 9.849 17 H SER 5 H SER 5 -16.481 -15.710 6.954 18 HA SER 5 HA SER 5 -14.269 -17.174 8.238 19 HB2 SER 5 1HB SER 5 -16.285 -18.547 7.978 20 HB3 SER 5 2HB SER 5 -16.315 -18.193 6.251 21 HG SER 5 HG SER 5 -15.315 -20.239 6.888 22 H SER 6 H SER 6 -15.580 -16.284 5.049 23 HA SER 6 HA SER 6 -12.881 -15.696 4.128 24 HB2 SER 6 1HB SER 6 -14.652 -17.807 2.901 25 HB3 SER 6 2HB SER 6 -13.365 -17.019 1.990 26 HG SER 6 HG SER 6 -12.128 -17.700 4.075 27 H GLY 7 H GLY 7 -12.856 -14.524 2.077 28 HA2 GLY 7 1HA GLY 7 -13.604 -12.860 0.684 29 HA3 GLY 7 2HA GLY 7 -15.181 -13.632 0.771 30 H THR 8 H THR 8 -13.220 -12.073 3.291 31 HA THR 8 HA THR 8 -15.107 -9.870 3.464 32 HB THR 8 HB THR 8 -14.635 -11.684 5.837 33 HG1 THR 8 HG1 THR 8 -17.008 -11.207 4.326 34 HG21 THR 8 3HG2 THR 8 -16.213 -10.254 7.002 35 HG22 THR 8 1HG2 THR 8 -16.409 -9.255 5.563 36 HG23 THR 8 2HG2 THR 8 -14.862 -9.290 6.409 37 H GLY 9 H GLY 9 -14.032 -8.047 3.858 38 HA2 GLY 9 1HA GLY 9 -12.208 -6.677 4.225 39 HA3 GLY 9 2HA GLY 9 -12.226 -7.461 5.797 40 H GLU 10 H GLU 10 -11.356 -8.619 2.543 41 HA GLU 10 HA GLU 10 -9.184 -10.161 3.464 42 HB2 GLU 10 1HB GLU 10 -10.390 -10.537 1.318 43 HB3 GLU 10 2HB GLU 10 -9.635 -9.085 0.676 44 HG2 GLU 10 1HG GLU 10 -7.493 -10.057 0.711 45 HG3 GLU 10 2HG GLU 10 -8.033 -11.395 1.724 46 H LYS 11 H LYS 11 -6.913 -9.828 2.504 47 HA LYS 11 HA LYS 11 -6.124 -7.022 2.941 48 HB2 LYS 11 1HB LYS 11 -3.868 -8.127 3.577 49 HB3 LYS 11 2HB LYS 11 -5.186 -8.162 4.740 50 HG2 LYS 11 1HG LYS 11 -5.697 -10.442 4.171 51 HG3 LYS 11 2HG LYS 11 -4.503 -10.421 2.870 52 HD2 LYS 11 1HD LYS 11 -3.247 -11.411 4.494 53 HD3 LYS 11 2HD LYS 11 -2.902 -9.721 4.872 54 HE2 LYS 11 1HE LYS 11 -3.436 -10.613 6.945 55 HE3 LYS 11 2HE LYS 11 -4.960 -9.894 6.426 56 HZ1 LYS 11 3HZ LYS 11 -4.380 -12.601 7.030 57 HZ2 LYS 11 1HZ LYS 11 -4.966 -12.473 5.448 58 HZ3 LYS 11 2HZ LYS 11 -5.878 -11.871 6.740 59 HA PRO 12 HA PRO 12 -4.879 -8.518 -1.361 60 HB2 PRO 12 1HB PRO 12 -6.339 -6.706 -2.759 61 HB3 PRO 12 2HB PRO 12 -6.971 -8.287 -2.283 62 HG2 PRO 12 1HG PRO 12 -7.386 -5.616 -0.997 63 HG3 PRO 12 2HG PRO 12 -8.565 -6.903 -1.308 64 HD2 PRO 12 1HD PRO 12 -7.445 -6.511 1.126 65 HD3 PRO 12 2HD PRO 12 -7.913 -8.119 0.538 66 H TYR 13 H TYR 13 -4.486 -5.964 0.678 67 HA TYR 13 HA TYR 13 -2.898 -4.411 -1.252 68 HB2 TYR 13 1HB TYR 13 -3.791 -3.514 1.490 69 HB3 TYR 13 2HB TYR 13 -3.121 -2.520 0.201 70 HD1 TYR 13 HD2 TYR 13 -4.488 -1.895 -1.727 71 HD2 TYR 13 HD1 TYR 13 -6.109 -4.197 1.463 72 HE1 TYR 13 HE2 TYR 13 -6.759 -1.407 -2.536 73 HE2 TYR 13 HE1 TYR 13 -8.384 -3.717 0.662 74 HH TYR 13 HH TYR 13 -8.982 -2.246 -2.397 75 H GLU 14 H GLU 14 -0.823 -4.957 -1.236 76 HA GLU 14 HA GLU 14 0.489 -5.373 1.366 77 HB2 GLU 14 1HB GLU 14 0.178 -7.531 0.194 78 HB3 GLU 14 2HB GLU 14 1.077 -6.897 -1.177 79 HG2 GLU 14 1HG GLU 14 3.000 -6.537 0.430 80 HG3 GLU 14 2HG GLU 14 2.088 -7.513 1.579 81 H CYS 15 H CYS 15 2.593 -4.606 1.565 82 HA CYS 15 HA CYS 15 3.262 -2.451 -0.241 83 HB2 CYS 15 1HB CYS 15 3.457 -2.317 2.279 84 HB3 CYS 15 2HB CYS 15 4.838 -3.402 2.154 85 H ASP 16 H ASP 16 4.774 -2.468 -1.785 86 HA ASP 16 HA ASP 16 6.159 -4.961 -2.331 87 HB2 ASP 16 1HB ASP 16 5.671 -2.428 -3.857 88 HB3 ASP 16 2HB ASP 16 6.962 -3.514 -4.366 89 H VAL 17 H VAL 17 6.879 -3.020 -0.098 90 HA VAL 17 HA VAL 17 9.729 -2.752 -0.801 91 HB VAL 17 HB VAL 17 8.142 -0.940 1.024 92 HG11 VAL 17 1HG1 VAL 17 10.059 -0.107 1.799 93 HG12 VAL 17 2HG1 VAL 17 10.844 -1.528 1.107 94 HG13 VAL 17 3HG1 VAL 17 10.764 -0.026 0.186 95 HG21 VAL 17 3HG2 VAL 17 7.982 -0.857 -1.623 96 HG22 VAL 17 1HG2 VAL 17 8.024 0.610 -0.644 97 HG23 VAL 17 2HG2 VAL 17 9.492 0.035 -1.436 98 H CYS 18 H CYS 18 7.406 -3.210 1.842 99 HA CYS 18 HA CYS 18 9.513 -4.626 3.339 100 HB2 CYS 18 1HB CYS 18 8.311 -4.016 5.395 101 HB3 CYS 18 2HB CYS 18 8.795 -2.588 4.487 102 H ARG 19 H ARG 19 6.725 -5.029 1.592 103 HA ARG 19 HA ARG 19 5.287 -6.762 1.281 104 HB2 ARG 19 1HB ARG 19 7.470 -8.129 2.838 105 HB3 ARG 19 2HB ARG 19 6.033 -8.998 2.317 106 HG2 ARG 19 1HG ARG 19 7.453 -9.457 0.590 107 HG3 ARG 19 2HG ARG 19 6.660 -8.005 -0.026 108 HD2 ARG 19 1HD ARG 19 8.905 -7.571 -0.416 109 HD3 ARG 19 2HD ARG 19 8.606 -6.743 1.112 110 HE ARG 19 HE ARG 19 10.081 -8.167 2.116 111 HH11 ARG 19 1HH1 ARG 19 9.064 -9.556 -0.910 112 HH12 ARG 19 2HH1 ARG 19 10.179 -10.880 -0.827 113 HH21 ARG 19 1HH2 ARG 19 11.553 -9.905 2.237 114 HH22 ARG 19 2HH2 ARG 19 11.593 -11.078 0.964 115 H LYS 20 H LYS 20 4.519 -4.982 3.197 116 HA LYS 20 HA LYS 20 3.603 -6.543 5.496 117 HB2 LYS 20 1HB LYS 20 3.910 -3.641 4.905 118 HB3 LYS 20 2HB LYS 20 2.651 -4.112 6.039 119 HG2 LYS 20 1HG LYS 20 4.395 -5.348 7.335 120 HG3 LYS 20 2HG LYS 20 5.605 -4.631 6.268 121 HD2 LYS 20 1HD LYS 20 5.151 -2.458 7.034 122 HD3 LYS 20 2HD LYS 20 3.620 -2.944 7.765 123 HE2 LYS 20 1HE LYS 20 4.903 -4.338 9.376 124 HE3 LYS 20 2HE LYS 20 6.392 -3.684 8.694 125 HZ1 LYS 20 3HZ LYS 20 5.416 -2.593 10.780 126 HZ2 LYS 20 1HZ LYS 20 4.297 -1.884 9.728 127 HZ3 LYS 20 2HZ LYS 20 5.950 -1.587 9.529 128 H ALA 21 H ALA 21 1.290 -5.840 6.237 129 HA ALA 21 HA ALA 21 -0.497 -5.878 3.894 130 HB1 ALA 21 3HB ALA 21 -0.156 -7.906 5.839 131 HB2 ALA 21 1HB ALA 21 -1.750 -7.192 6.083 132 HB3 ALA 21 2HB ALA 21 -1.309 -7.848 4.506 133 H PHE 22 H PHE 22 -2.232 -4.549 3.951 134 HA PHE 22 HA PHE 22 -2.806 -3.136 6.466 135 HB2 PHE 22 1HB PHE 22 -2.681 -1.850 3.730 136 HB3 PHE 22 2HB PHE 22 -3.080 -1.040 5.241 137 HD1 PHE 22 HD1 PHE 22 -0.363 -2.917 3.541 138 HD2 PHE 22 HD2 PHE 22 -1.409 -0.070 6.528 139 HE1 PHE 22 HE1 PHE 22 2.020 -2.417 3.894 140 HE2 PHE 22 HE2 PHE 22 0.972 0.435 6.884 141 HZ PHE 22 HZ PHE 22 2.690 -0.738 5.566 142 H SER 23 H SER 23 -4.813 -3.609 7.041 143 HA SER 23 HA SER 23 -6.751 -4.906 5.673 144 HB2 SER 23 1HB SER 23 -8.418 -3.735 7.161 145 HB3 SER 23 2HB SER 23 -7.049 -4.452 8.011 146 HG SER 23 HG SER 23 -6.111 -2.392 8.122 147 H HIS 24 H HIS 24 -6.438 -1.361 5.815 148 HA HIS 24 HA HIS 24 -8.326 -1.139 3.585 149 HB2 HIS 24 1HB HIS 24 -8.353 0.262 5.833 150 HB3 HIS 24 2HB HIS 24 -7.189 1.256 4.961 151 HD1 HIS 24 HD1 HIS 24 -8.092 2.833 3.219 152 HD2 HIS 24 HD2 HIS 24 -10.953 0.157 4.603 153 HE1 HIS 24 HE1 HIS 24 -10.277 3.629 2.260 154 H HIS 25 H HIS 25 -7.812 0.522 1.908 155 HA HIS 25 HA HIS 25 -5.215 -0.017 0.812 156 HB2 HIS 25 1HB HIS 25 -7.095 0.096 -0.695 157 HB3 HIS 25 2HB HIS 25 -7.494 1.722 -0.148 158 HD1 HIS 25 HD1 HIS 25 -5.199 -0.151 -2.403 159 HD2 HIS 25 HD2 HIS 25 -5.863 3.768 -1.195 160 HE1 HIS 25 HE1 HIS 25 -3.894 1.278 -4.009 161 H ALA 26 H ALA 26 -6.907 2.934 1.865 162 HA ALA 26 HA ALA 26 -4.953 4.806 1.397 163 HB1 ALA 26 3HB ALA 26 -5.968 5.748 3.713 164 HB2 ALA 26 1HB ALA 26 -6.780 5.880 2.153 165 HB3 ALA 26 2HB ALA 26 -7.213 4.582 3.267 166 H SER 27 H SER 27 -5.230 2.589 4.132 167 HA SER 27 HA SER 27 -3.231 3.637 5.763 168 HB2 SER 27 1HB SER 27 -4.189 0.796 5.385 169 HB3 SER 27 2HB SER 27 -3.028 1.261 6.629 170 HG SER 27 HG SER 27 -4.725 2.866 7.231 171 H LEU 28 H LEU 28 -3.012 1.777 2.839 172 HA LEU 28 HA LEU 28 -0.202 1.166 3.209 173 HB2 LEU 28 1HB LEU 28 -1.549 -0.479 2.102 174 HB3 LEU 28 2HB LEU 28 -2.108 0.705 0.923 175 HG LEU 28 HG LEU 28 0.352 0.858 0.204 176 HD11 LEU 28 1HD1 LEU 28 0.868 -0.629 2.363 177 HD12 LEU 28 2HD1 LEU 28 1.874 -0.657 0.915 178 HD13 LEU 28 3HD1 LEU 28 0.667 -1.916 1.174 179 HD21 LEU 28 3HD2 LEU 28 -1.568 -1.358 -0.305 180 HD22 LEU 28 1HD2 LEU 28 0.050 -1.464 -0.998 181 HD23 LEU 28 2HD2 LEU 28 -0.987 -0.092 -1.389 182 H THR 29 H THR 29 -2.144 3.070 0.906 183 HA THR 29 HA THR 29 -0.104 4.189 -0.576 184 HB THR 29 HB THR 29 -2.689 4.440 -0.810 185 HG1 THR 29 HG1 THR 29 -1.414 5.291 -2.396 186 HG21 THR 29 3HG2 THR 29 -3.755 6.128 0.261 187 HG22 THR 29 1HG2 THR 29 -2.334 7.171 0.258 188 HG23 THR 29 2HG2 THR 29 -2.482 5.885 1.456 189 H GLN 30 H GLN 30 -1.083 4.907 2.673 190 HA GLN 30 HA GLN 30 0.422 7.389 2.767 191 HB2 GLN 30 1HB GLN 30 -1.418 5.940 4.605 192 HB3 GLN 30 2HB GLN 30 -0.238 7.028 5.323 193 HG2 GLN 30 1HG GLN 30 -1.088 8.824 3.817 194 HG3 GLN 30 2HG GLN 30 -2.366 7.718 3.315 195 HE21 GLN 30 1HE2 GLN 30 -4.060 7.312 4.670 196 HE22 GLN 30 2HE2 GLN 30 -4.323 8.169 6.147 197 H HIS 31 H HIS 31 0.537 4.202 4.350 198 HA HIS 31 HA HIS 31 2.783 4.506 5.897 199 HB2 HIS 31 1HB HIS 31 1.781 2.459 6.222 200 HB3 HIS 31 2HB HIS 31 1.548 2.178 4.499 201 HD1 HIS 31 HD1 HIS 31 4.227 2.008 7.154 202 HD2 HIS 31 HD2 HIS 31 3.505 0.680 3.284 203 HE1 HIS 31 HE1 HIS 31 6.092 0.404 6.635 204 H GLN 32 H GLN 32 2.634 3.658 2.458 205 HA GLN 32 HA GLN 32 5.155 3.015 1.804 206 HB2 GLN 32 1HB GLN 32 3.263 4.886 0.403 207 HB3 GLN 32 2HB GLN 32 4.823 4.471 -0.295 208 HG2 GLN 32 1HG GLN 32 3.981 2.014 0.166 209 HG3 GLN 32 2HG GLN 32 2.403 2.796 0.084 210 HE21 GLN 32 1HE2 GLN 32 3.419 0.845 -1.720 211 HE22 GLN 32 2HE2 GLN 32 3.518 1.581 -3.279 212 H ARG 33 H ARG 33 4.118 6.106 2.999 213 HA ARG 33 HA ARG 33 6.179 7.769 2.206 214 HB2 ARG 33 1HB ARG 33 4.467 7.680 4.669 215 HB3 ARG 33 2HB ARG 33 5.750 8.874 4.526 216 HG2 ARG 33 1HG ARG 33 4.742 9.793 2.543 217 HG3 ARG 33 2HG ARG 33 3.515 8.525 2.541 218 HD2 ARG 33 1HD ARG 33 3.829 10.860 4.382 219 HD3 ARG 33 2HD ARG 33 2.400 10.313 3.505 220 HE ARG 33 HE ARG 33 1.944 8.828 5.211 221 HH11 ARG 33 1HH1 ARG 33 5.091 10.247 5.663 222 HH12 ARG 33 2HH1 ARG 33 5.272 9.649 7.279 223 HH21 ARG 33 1HH2 ARG 33 2.171 8.035 7.338 224 HH22 ARG 33 2HH2 ARG 33 3.611 8.390 8.230 225 H VAL 34 H VAL 34 6.033 5.697 5.096 226 HA VAL 34 HA VAL 34 8.353 6.286 6.365 227 HB VAL 34 HB VAL 34 8.435 4.059 7.225 228 HG11 VAL 34 1HG1 VAL 34 6.488 5.486 7.848 229 HG12 VAL 34 2HG1 VAL 34 5.540 4.641 6.623 230 HG13 VAL 34 3HG1 VAL 34 6.191 3.755 8.002 231 HG21 VAL 34 3HG2 VAL 34 6.724 3.272 4.869 232 HG22 VAL 34 1HG2 VAL 34 8.404 2.816 5.151 233 HG23 VAL 34 2HG2 VAL 34 7.136 2.215 6.219 234 H HIS 35 H HIS 35 8.023 4.704 3.283 235 HA HIS 35 HA HIS 35 10.871 4.053 3.198 236 HB2 HIS 35 1HB HIS 35 8.764 3.519 1.098 237 HB3 HIS 35 2HB HIS 35 10.377 2.818 1.184 238 HD1 HIS 35 HD1 HIS 35 10.556 1.737 3.949 239 HD2 HIS 35 HD2 HIS 35 7.056 1.527 1.721 240 HE1 HIS 35 HE1 HIS 35 9.233 -0.150 4.953 241 H SER 36 H SER 36 12.127 5.738 2.710 242 HA SER 36 HA SER 36 11.195 7.749 0.810 243 HB2 SER 36 1HB SER 36 13.216 9.008 1.513 244 HB3 SER 36 2HB SER 36 12.185 8.576 2.877 245 HG SER 36 HG SER 36 14.689 7.548 2.136 246 H GLY 37 H GLY 37 11.609 7.465 -1.274 247 HA2 GLY 37 1HA GLY 37 13.590 5.603 -2.194 248 HA3 GLY 37 2HA GLY 37 12.568 6.621 -3.199 249 H GLU 38 H GLU 38 14.607 6.772 -4.455 250 HA GLU 38 HA GLU 38 16.707 8.406 -3.311 251 HB2 GLU 38 1HB GLU 38 17.828 8.122 -5.457 252 HB3 GLU 38 2HB GLU 38 17.275 6.571 -4.841 253 HG2 GLU 38 1HG GLU 38 15.598 8.118 -6.770 254 HG3 GLU 38 2HG GLU 38 16.948 7.137 -7.337 255 H LYS 39 H LYS 39 14.281 9.739 -3.283 256 HA LYS 39 HA LYS 39 14.430 11.651 -5.503 257 HB2 LYS 39 1HB LYS 39 12.222 10.723 -5.093 258 HB3 LYS 39 2HB LYS 39 12.300 11.208 -3.404 259 HG2 LYS 39 1HG LYS 39 11.045 12.913 -4.211 260 HG3 LYS 39 2HG LYS 39 12.648 13.598 -4.492 261 HD2 LYS 39 1HD LYS 39 11.732 13.933 -6.556 262 HD3 LYS 39 2HD LYS 39 12.387 12.311 -6.795 263 HE2 LYS 39 1HE LYS 39 10.172 12.279 -7.637 264 HE3 LYS 39 2HE LYS 39 10.136 11.423 -6.096 265 HZ1 LYS 39 3HZ LYS 39 9.631 14.224 -5.805 266 HZ2 LYS 39 1HZ LYS 39 8.731 12.904 -5.250 267 HZ3 LYS 39 2HZ LYS 39 8.505 13.479 -6.824 268 HA PRO 40 HA PRO 40 16.426 14.632 -2.939 269 HB2 PRO 40 1HB PRO 40 15.840 16.852 -4.387 270 HB3 PRO 40 2HB PRO 40 17.048 15.666 -4.894 271 HG2 PRO 40 1HG PRO 40 14.207 15.977 -5.787 272 HG3 PRO 40 2HG PRO 40 15.655 15.647 -6.756 273 HD2 PRO 40 1HD PRO 40 13.909 13.706 -6.038 274 HD3 PRO 40 2HD PRO 40 15.647 13.402 -6.233 275 H SER 41 H SER 41 13.178 15.489 -4.133 276 HA SER 41 HA SER 41 12.677 17.259 -1.926 277 HB2 SER 41 1HB SER 41 10.385 17.401 -2.889 278 HB3 SER 41 2HB SER 41 11.646 17.725 -4.078 279 HG SER 41 HG SER 41 10.614 15.125 -3.758 280 H GLY 42 H GLY 42 11.644 16.854 -0.052 281 HA2 GLY 42 1HA GLY 42 9.919 14.600 0.324 282 HA3 GLY 42 2HA GLY 42 11.494 14.350 1.063 283 HA PRO 43 HA PRO 43 8.612 16.627 3.991 284 HB2 PRO 43 1HB PRO 43 8.679 14.770 5.970 285 HB3 PRO 43 2HB PRO 43 7.496 14.732 4.657 286 HG2 PRO 43 1HG PRO 43 10.039 13.182 4.961 287 HG3 PRO 43 2HG PRO 43 8.449 12.626 4.404 288 HD2 PRO 43 1HD PRO 43 10.469 13.209 2.697 289 HD3 PRO 43 2HD PRO 43 8.762 13.462 2.279 290 H SER 44 H SER 44 10.483 18.047 4.058 291 HA SER 44 HA SER 44 12.758 17.396 5.659 292 HB2 SER 44 1HB SER 44 12.822 19.048 3.797 293 HB3 SER 44 2HB SER 44 11.805 20.124 4.755 294 HG SER 44 HG SER 44 14.220 19.126 5.803 295 H SER 45 H SER 45 11.949 16.760 7.672 296 HA SER 45 HA SER 45 11.672 18.829 9.583 297 HB2 SER 45 1HB SER 45 9.352 18.720 8.460 298 HB3 SER 45 2HB SER 45 9.164 17.183 9.304 299 HG SER 45 HG SER 45 8.368 19.098 10.434 300 H GLY 46 H GLY 46 12.938 17.949 11.084 301 HA2 GLY 46 1HA GLY 46 12.261 15.945 12.797 302 HA3 GLY 46 2HA GLY 46 13.074 15.101 11.487 Start of MODEL 18 1 H1 GLY 1 H GLY 1 9.739 -22.790 10.570 2 HA2 GLY 1 1HA GLY 1 10.548 -25.423 11.382 3 HA3 GLY 1 2HA GLY 1 9.659 -24.574 12.638 4 H SER 2 H SER 2 7.523 -24.786 12.635 5 HA SER 2 HA SER 2 6.165 -26.428 10.836 6 HB2 SER 2 1HB SER 2 5.410 -25.844 13.157 7 HB3 SER 2 2HB SER 2 4.918 -24.265 12.546 8 HG SER 2 HG SER 2 3.940 -26.784 11.673 9 H SER 3 H SER 3 4.149 -25.680 9.608 10 HA SER 3 HA SER 3 5.015 -23.773 7.630 11 HB2 SER 3 1HB SER 3 3.042 -24.447 6.387 12 HB3 SER 3 2HB SER 3 3.837 -25.885 7.027 13 HG SER 3 HG SER 3 1.556 -24.581 8.103 14 H GLY 4 H GLY 4 3.425 -22.116 6.802 15 HA2 GLY 4 1HA GLY 4 2.702 -20.392 8.989 16 HA3 GLY 4 2HA GLY 4 2.525 -20.038 7.277 17 H SER 5 H SER 5 0.540 -19.162 8.761 18 HA SER 5 HA SER 5 -1.592 -21.184 8.580 19 HB2 SER 5 1HB SER 5 -1.140 -18.853 10.394 20 HB3 SER 5 2HB SER 5 -2.800 -19.322 10.027 21 HG SER 5 HG SER 5 -1.765 -21.558 10.580 22 H SER 6 H SER 6 -3.278 -20.882 7.246 23 HA SER 6 HA SER 6 -3.155 -19.113 5.112 24 HB2 SER 6 1HB SER 6 -5.530 -20.556 6.306 25 HB3 SER 6 2HB SER 6 -5.589 -19.680 4.776 26 HG SER 6 HG SER 6 -4.471 -21.219 3.838 27 H GLY 7 H GLY 7 -5.261 -18.903 7.986 28 HA2 GLY 7 1HA GLY 7 -6.159 -16.261 7.290 29 HA3 GLY 7 2HA GLY 7 -6.514 -17.127 8.777 30 H THR 8 H THR 8 -3.768 -15.565 7.130 31 HA THR 8 HA THR 8 -2.733 -14.758 9.756 32 HB THR 8 HB THR 8 -1.106 -15.904 8.374 33 HG1 THR 8 HG1 THR 8 0.496 -14.267 8.396 34 HG21 THR 8 3HG2 THR 8 -1.913 -15.551 6.167 35 HG22 THR 8 1HG2 THR 8 -0.330 -14.778 6.247 36 HG23 THR 8 2HG2 THR 8 -1.795 -13.799 6.330 37 H GLY 9 H GLY 9 -4.024 -13.517 6.766 38 HA2 GLY 9 1HA GLY 9 -5.068 -11.203 7.459 39 HA3 GLY 9 2HA GLY 9 -3.367 -10.765 7.515 40 H GLU 10 H GLU 10 -5.103 -12.856 5.231 41 HA GLU 10 HA GLU 10 -3.793 -11.731 2.986 42 HB2 GLU 10 1HB GLU 10 -6.297 -13.421 3.109 43 HB3 GLU 10 2HB GLU 10 -5.372 -13.081 1.654 44 HG2 GLU 10 1HG GLU 10 -3.471 -14.274 2.526 45 HG3 GLU 10 2HG GLU 10 -4.295 -14.524 4.064 46 H LYS 11 H LYS 11 -4.156 -9.815 2.110 47 HA LYS 11 HA LYS 11 -6.906 -8.861 1.829 48 HB2 LYS 11 1HB LYS 11 -4.661 -7.352 3.157 49 HB3 LYS 11 2HB LYS 11 -6.059 -6.535 2.470 50 HG2 LYS 11 1HG LYS 11 -7.535 -7.605 3.998 51 HG3 LYS 11 2HG LYS 11 -6.259 -8.685 4.564 52 HD2 LYS 11 1HD LYS 11 -5.027 -6.545 5.261 53 HD3 LYS 11 2HD LYS 11 -6.583 -5.738 5.050 54 HE2 LYS 11 1HE LYS 11 -6.621 -6.282 7.294 55 HE3 LYS 11 2HE LYS 11 -7.479 -7.642 6.573 56 HZ1 LYS 11 3HZ LYS 11 -5.902 -9.058 7.216 57 HZ2 LYS 11 1HZ LYS 11 -5.354 -7.829 8.242 58 HZ3 LYS 11 2HZ LYS 11 -4.640 -8.044 6.724 59 HA PRO 12 HA PRO 12 -5.643 -7.646 -2.194 60 HB2 PRO 12 1HB PRO 12 -7.196 -5.460 -2.614 61 HB3 PRO 12 2HB PRO 12 -7.839 -7.106 -2.599 62 HG2 PRO 12 1HG PRO 12 -7.867 -5.042 -0.432 63 HG3 PRO 12 2HG PRO 12 -9.160 -6.140 -0.947 64 HD2 PRO 12 1HD PRO 12 -7.632 -6.614 1.237 65 HD3 PRO 12 2HD PRO 12 -8.291 -7.920 0.231 66 H TYR 13 H TYR 13 -5.138 -5.609 0.496 67 HA TYR 13 HA TYR 13 -3.480 -3.774 -1.098 68 HB2 TYR 13 1HB TYR 13 -4.410 -3.352 1.743 69 HB3 TYR 13 2HB TYR 13 -3.703 -2.162 0.656 70 HD1 TYR 13 HD2 TYR 13 -5.027 -1.208 -1.174 71 HD2 TYR 13 HD1 TYR 13 -6.739 -3.954 1.589 72 HE1 TYR 13 HE2 TYR 13 -7.276 -0.545 -1.917 73 HE2 TYR 13 HE1 TYR 13 -8.993 -3.299 0.853 74 HH TYR 13 HH TYR 13 -9.799 -0.718 -0.526 75 H GLU 14 H GLU 14 -1.482 -4.608 -1.202 76 HA GLU 14 HA GLU 14 -0.140 -5.212 1.341 77 HB2 GLU 14 1HB GLU 14 -0.856 -7.263 -0.118 78 HB3 GLU 14 2HB GLU 14 0.515 -6.799 -1.115 79 HG2 GLU 14 1HG GLU 14 1.514 -8.299 0.271 80 HG3 GLU 14 2HG GLU 14 1.784 -6.813 1.180 81 H CYS 15 H CYS 15 1.761 -4.218 1.581 82 HA CYS 15 HA CYS 15 2.663 -2.302 -0.266 83 HB2 CYS 15 1HB CYS 15 3.078 -2.490 2.292 84 HB3 CYS 15 2HB CYS 15 4.453 -3.490 1.834 85 H ASP 16 H ASP 16 5.053 -2.277 -0.988 86 HA ASP 16 HA ASP 16 5.583 -4.828 -2.355 87 HB2 ASP 16 1HB ASP 16 6.562 -2.075 -3.135 88 HB3 ASP 16 2HB ASP 16 6.700 -3.555 -4.080 89 H VAL 17 H VAL 17 7.122 -2.160 -0.616 90 HA VAL 17 HA VAL 17 9.739 -3.282 -0.673 91 HB VAL 17 HB VAL 17 8.565 -1.197 1.172 92 HG11 VAL 17 1HG1 VAL 17 11.404 -1.016 0.801 93 HG12 VAL 17 2HG1 VAL 17 10.480 -1.167 2.297 94 HG13 VAL 17 3HG1 VAL 17 10.975 -2.613 1.415 95 HG21 VAL 17 3HG2 VAL 17 10.482 -0.576 -1.016 96 HG22 VAL 17 1HG2 VAL 17 8.800 -0.892 -1.440 97 HG23 VAL 17 2HG2 VAL 17 9.197 0.414 -0.324 98 H CYS 18 H CYS 18 7.575 -2.776 2.121 99 HA CYS 18 HA CYS 18 8.966 -4.818 3.620 100 HB2 CYS 18 1HB CYS 18 7.636 -4.144 5.481 101 HB3 CYS 18 2HB CYS 18 8.078 -2.673 4.620 102 H ARG 19 H ARG 19 6.097 -4.550 1.708 103 HA ARG 19 HA ARG 19 4.572 -6.090 1.014 104 HB2 ARG 19 1HB ARG 19 6.351 -8.125 2.367 105 HB3 ARG 19 2HB ARG 19 5.120 -8.450 1.155 106 HG2 ARG 19 1HG ARG 19 7.536 -6.737 0.640 107 HG3 ARG 19 2HG ARG 19 7.480 -8.472 0.325 108 HD2 ARG 19 1HD ARG 19 5.583 -6.449 -0.859 109 HD3 ARG 19 2HD ARG 19 7.013 -7.078 -1.676 110 HE ARG 19 HE ARG 19 4.499 -8.431 -1.280 111 HH11 ARG 19 1HH1 ARG 19 7.896 -8.789 -1.948 112 HH12 ARG 19 2HH1 ARG 19 7.717 -10.336 -2.708 113 HH21 ARG 19 1HH2 ARG 19 4.249 -10.466 -2.279 114 HH22 ARG 19 2HH2 ARG 19 5.642 -11.288 -2.896 115 H LYS 20 H LYS 20 3.922 -4.710 3.261 116 HA LYS 20 HA LYS 20 2.897 -6.654 5.195 117 HB2 LYS 20 1HB LYS 20 4.114 -4.557 5.927 118 HB3 LYS 20 2HB LYS 20 2.728 -3.643 5.346 119 HG2 LYS 20 1HG LYS 20 1.284 -4.778 6.931 120 HG3 LYS 20 2HG LYS 20 2.641 -5.762 7.486 121 HD2 LYS 20 1HD LYS 20 3.750 -3.864 8.394 122 HD3 LYS 20 2HD LYS 20 2.626 -2.752 7.610 123 HE2 LYS 20 1HE LYS 20 1.773 -4.778 9.665 124 HE3 LYS 20 2HE LYS 20 2.265 -3.138 10.081 125 HZ1 LYS 20 3HZ LYS 20 0.498 -2.454 8.373 126 HZ2 LYS 20 1HZ LYS 20 -0.020 -2.985 9.894 127 HZ3 LYS 20 2HZ LYS 20 -0.101 -4.025 8.563 128 H ALA 21 H ALA 21 0.671 -6.554 5.883 129 HA ALA 21 HA ALA 21 -1.117 -5.876 3.658 130 HB1 ALA 21 3HB ALA 21 -2.688 -7.293 5.319 131 HB2 ALA 21 1HB ALA 21 -1.673 -8.021 4.074 132 HB3 ALA 21 2HB ALA 21 -1.111 -7.957 5.745 133 H PHE 22 H PHE 22 -2.989 -4.668 3.960 134 HA PHE 22 HA PHE 22 -3.394 -3.416 6.574 135 HB2 PHE 22 1HB PHE 22 -3.304 -1.792 4.028 136 HB3 PHE 22 2HB PHE 22 -3.453 -1.192 5.677 137 HD1 PHE 22 HD1 PHE 22 -1.147 -2.997 3.397 138 HD2 PHE 22 HD2 PHE 22 -1.562 -0.611 6.897 139 HE1 PHE 22 HE1 PHE 22 1.299 -2.773 3.530 140 HE2 PHE 22 HE2 PHE 22 0.884 -0.383 7.036 141 HZ PHE 22 HZ PHE 22 2.318 -1.464 5.350 142 H SER 23 H SER 23 -5.488 -2.356 6.780 143 HA SER 23 HA SER 23 -7.560 -3.926 5.597 144 HB2 SER 23 1HB SER 23 -7.615 -3.001 7.936 145 HB3 SER 23 2HB SER 23 -7.873 -1.403 7.237 146 HG SER 23 HG SER 23 -9.859 -1.954 6.655 147 H HIS 24 H HIS 24 -7.042 -0.394 5.596 148 HA HIS 24 HA HIS 24 -8.472 -0.271 3.029 149 HB2 HIS 24 1HB HIS 24 -9.203 1.078 5.136 150 HB3 HIS 24 2HB HIS 24 -7.856 2.134 4.718 151 HD1 HIS 24 HD1 HIS 24 -9.601 4.035 4.254 152 HD2 HIS 24 HD2 HIS 24 -9.892 0.742 1.738 153 HE1 HIS 24 HE1 HIS 24 -11.047 4.780 2.336 154 H HIS 25 H HIS 25 -7.586 0.766 1.267 155 HA HIS 25 HA HIS 25 -4.942 0.552 0.704 156 HB2 HIS 25 1HB HIS 25 -5.267 2.149 -1.105 157 HB3 HIS 25 2HB HIS 25 -6.683 1.112 -0.960 158 HD1 HIS 25 HD1 HIS 25 -8.770 2.248 0.344 159 HD2 HIS 25 HD2 HIS 25 -5.806 4.815 -1.029 160 HE1 HIS 25 HE1 HIS 25 -9.812 4.537 0.340 161 H ALA 26 H ALA 26 -6.505 3.555 1.825 162 HA ALA 26 HA ALA 26 -4.545 5.349 1.938 163 HB1 ALA 26 3HB ALA 26 -6.853 4.808 3.582 164 HB2 ALA 26 1HB ALA 26 -5.556 5.542 4.525 165 HB3 ALA 26 2HB ALA 26 -6.165 6.353 3.081 166 H SER 27 H SER 27 -5.008 3.208 4.755 167 HA SER 27 HA SER 27 -2.817 3.706 6.212 168 HB2 SER 27 1HB SER 27 -4.638 1.797 6.395 169 HB3 SER 27 2HB SER 27 -3.358 0.810 5.690 170 HG SER 27 HG SER 27 -2.865 0.662 7.762 171 H LEU 28 H LEU 28 -2.845 1.587 3.363 172 HA LEU 28 HA LEU 28 -0.050 1.028 3.479 173 HB2 LEU 28 1HB LEU 28 -1.312 -0.589 2.380 174 HB3 LEU 28 2HB LEU 28 -2.206 0.609 1.445 175 HG LEU 28 HG LEU 28 -0.137 1.043 0.135 176 HD11 LEU 28 1HD1 LEU 28 1.105 -1.478 0.945 177 HD12 LEU 28 2HD1 LEU 28 1.159 -0.215 2.174 178 HD13 LEU 28 3HD1 LEU 28 1.836 0.083 0.573 179 HD21 LEU 28 3HD2 LEU 28 -0.275 -1.712 -0.484 180 HD22 LEU 28 1HD2 LEU 28 -1.083 -0.367 -1.290 181 HD23 LEU 28 2HD2 LEU 28 -1.882 -1.206 0.041 182 H THR 29 H THR 29 -2.052 3.290 1.640 183 HA THR 29 HA THR 29 -0.079 4.295 -0.065 184 HB THR 29 HB THR 29 -2.593 5.532 1.038 185 HG1 THR 29 HG1 THR 29 -2.915 5.369 -1.425 186 HG21 THR 29 3HG2 THR 29 -0.361 6.888 -0.192 187 HG22 THR 29 1HG2 THR 29 -1.847 7.559 0.477 188 HG23 THR 29 2HG2 THR 29 -1.803 7.011 -1.198 189 H GLN 30 H GLN 30 -1.251 5.677 3.010 190 HA GLN 30 HA GLN 30 0.671 7.727 3.140 191 HB2 GLN 30 1HB GLN 30 -1.533 7.403 4.476 192 HB3 GLN 30 2HB GLN 30 -0.534 6.481 5.591 193 HG2 GLN 30 1HG GLN 30 0.843 8.381 6.037 194 HG3 GLN 30 2HG GLN 30 0.045 9.315 4.772 195 HE21 GLN 30 1HE2 GLN 30 0.291 9.108 7.951 196 HE22 GLN 30 2HE2 GLN 30 -1.290 9.602 8.441 197 H HIS 31 H HIS 31 0.643 4.434 4.413 198 HA HIS 31 HA HIS 31 2.940 4.565 5.994 199 HB2 HIS 31 1HB HIS 31 1.785 2.604 6.336 200 HB3 HIS 31 2HB HIS 31 1.452 2.375 4.622 201 HD1 HIS 31 HD1 HIS 31 4.250 1.963 7.129 202 HD2 HIS 31 HD2 HIS 31 3.190 0.709 3.313 203 HE1 HIS 31 HE1 HIS 31 5.940 0.209 6.504 204 H GLN 32 H GLN 32 2.599 3.623 2.580 205 HA GLN 32 HA GLN 32 5.031 2.846 1.824 206 HB2 GLN 32 1HB GLN 32 3.142 4.756 0.502 207 HB3 GLN 32 2HB GLN 32 4.694 4.412 -0.249 208 HG2 GLN 32 1HG GLN 32 4.059 1.953 -0.039 209 HG3 GLN 32 2HG GLN 32 2.428 2.531 0.302 210 HE21 GLN 32 1HE2 GLN 32 3.941 1.129 -2.015 211 HE22 GLN 32 2HE2 GLN 32 3.347 1.954 -3.411 212 H ARG 33 H ARG 33 4.209 6.133 2.761 213 HA ARG 33 HA ARG 33 6.309 7.629 1.954 214 HB2 ARG 33 1HB ARG 33 4.807 7.585 4.547 215 HB3 ARG 33 2HB ARG 33 6.159 8.691 4.342 216 HG2 ARG 33 1HG ARG 33 4.936 9.400 2.174 217 HG3 ARG 33 2HG ARG 33 3.532 8.639 2.925 218 HD2 ARG 33 1HD ARG 33 3.406 10.900 3.545 219 HD3 ARG 33 2HD ARG 33 4.044 10.070 4.964 220 HE ARG 33 HE ARG 33 6.030 11.199 4.702 221 HH11 ARG 33 1HH1 ARG 33 4.056 11.619 1.865 222 HH12 ARG 33 2HH1 ARG 33 5.071 12.846 1.181 223 HH21 ARG 33 1HH2 ARG 33 7.374 12.813 3.812 224 HH22 ARG 33 2HH2 ARG 33 6.958 13.524 2.289 225 H VAL 34 H VAL 34 6.332 5.699 4.956 226 HA VAL 34 HA VAL 34 8.811 6.110 5.917 227 HB VAL 34 HB VAL 34 8.874 3.787 6.709 228 HG11 VAL 34 1HG1 VAL 34 6.350 5.372 6.880 229 HG12 VAL 34 2HG1 VAL 34 6.444 3.793 7.662 230 HG13 VAL 34 3HG1 VAL 34 7.574 5.071 8.113 231 HG21 VAL 34 3HG2 VAL 34 6.626 2.521 5.998 232 HG22 VAL 34 1HG2 VAL 34 6.921 3.431 4.516 233 HG23 VAL 34 2HG2 VAL 34 8.149 2.325 5.132 234 H HIS 35 H HIS 35 8.026 4.102 3.118 235 HA HIS 35 HA HIS 35 10.782 3.339 2.708 236 HB2 HIS 35 1HB HIS 35 8.441 2.958 0.834 237 HB3 HIS 35 2HB HIS 35 9.977 2.097 0.804 238 HD1 HIS 35 HD1 HIS 35 10.116 1.416 3.850 239 HD2 HIS 35 HD2 HIS 35 6.794 0.850 1.421 240 HE1 HIS 35 HE1 HIS 35 8.756 -0.373 4.978 241 H SER 36 H SER 36 12.238 4.368 1.499 242 HA SER 36 HA SER 36 11.516 6.868 0.248 243 HB2 SER 36 1HB SER 36 13.659 6.399 1.586 244 HB3 SER 36 2HB SER 36 14.235 5.569 0.141 245 HG SER 36 HG SER 36 13.489 8.292 0.396 246 H GLY 37 H GLY 37 13.162 3.902 -0.872 247 HA2 GLY 37 1HA GLY 37 11.799 3.276 -3.091 248 HA3 GLY 37 2HA GLY 37 12.722 4.667 -3.639 249 H GLU 38 H GLU 38 13.113 1.507 -2.061 250 HA GLU 38 HA GLU 38 15.744 1.054 -2.084 251 HB2 GLU 38 1HB GLU 38 13.786 -0.597 -1.698 252 HB3 GLU 38 2HB GLU 38 13.978 -0.990 -3.401 253 HG2 GLU 38 1HG GLU 38 16.328 -1.075 -1.560 254 HG3 GLU 38 2HG GLU 38 15.185 -2.415 -1.617 255 H LYS 39 H LYS 39 17.410 0.883 -3.470 256 HA LYS 39 HA LYS 39 17.548 2.037 -5.892 257 HB2 LYS 39 1HB LYS 39 19.015 -0.451 -5.007 258 HB3 LYS 39 2HB LYS 39 19.452 0.492 -6.426 259 HG2 LYS 39 1HG LYS 39 19.253 1.839 -3.773 260 HG3 LYS 39 2HG LYS 39 20.678 0.873 -4.163 261 HD2 LYS 39 1HD LYS 39 19.647 3.019 -5.998 262 HD3 LYS 39 2HD LYS 39 20.780 3.367 -4.690 263 HE2 LYS 39 1HE LYS 39 21.336 1.210 -6.698 264 HE3 LYS 39 2HE LYS 39 21.717 2.896 -7.044 265 HZ1 LYS 39 3HZ LYS 39 23.020 1.039 -5.248 266 HZ2 LYS 39 1HZ LYS 39 22.797 2.593 -4.617 267 HZ3 LYS 39 2HZ LYS 39 23.649 2.382 -6.062 268 HA PRO 40 HA PRO 40 14.680 -0.645 -8.152 269 HB2 PRO 40 1HB PRO 40 14.229 1.156 -10.132 270 HB3 PRO 40 2HB PRO 40 13.404 1.219 -8.570 271 HG2 PRO 40 1HG PRO 40 15.770 2.784 -9.527 272 HG3 PRO 40 2HG PRO 40 14.357 3.340 -8.611 273 HD2 PRO 40 1HD PRO 40 16.742 2.824 -7.439 274 HD3 PRO 40 2HD PRO 40 15.195 2.567 -6.608 275 H SER 41 H SER 41 17.129 1.404 -9.746 276 HA SER 41 HA SER 41 18.340 1.034 -11.672 277 HB2 SER 41 1HB SER 41 19.922 -0.809 -11.406 278 HB3 SER 41 2HB SER 41 19.684 0.009 -9.862 279 HG SER 41 HG SER 41 19.471 -2.083 -9.351 280 H GLY 42 H GLY 42 15.697 0.439 -12.197 281 HA2 GLY 42 1HA GLY 42 14.425 -0.596 -13.805 282 HA3 GLY 42 2HA GLY 42 15.926 -1.221 -14.473 283 HA PRO 43 HA PRO 43 14.270 -4.407 -11.194 284 HB2 PRO 43 1HB PRO 43 11.630 -4.170 -10.608 285 HB3 PRO 43 2HB PRO 43 12.897 -3.368 -9.672 286 HG2 PRO 43 1HG PRO 43 11.138 -2.253 -11.822 287 HG3 PRO 43 2HG PRO 43 11.613 -1.526 -10.276 288 HD2 PRO 43 1HD PRO 43 12.791 -0.861 -12.622 289 HD3 PRO 43 2HD PRO 43 13.668 -0.858 -11.078 290 H SER 44 H SER 44 13.686 -6.385 -11.922 291 HA SER 44 HA SER 44 13.175 -7.024 -14.471 292 HB2 SER 44 1HB SER 44 12.134 -8.412 -11.998 293 HB3 SER 44 2HB SER 44 12.000 -9.108 -13.613 294 HG SER 44 HG SER 44 14.098 -9.474 -13.648 295 H SER 45 H SER 45 11.740 -6.169 -15.824 296 HA SER 45 HA SER 45 9.115 -5.359 -14.925 297 HB2 SER 45 1HB SER 45 8.831 -4.457 -17.161 298 HB3 SER 45 2HB SER 45 10.427 -4.010 -16.560 299 HG SER 45 HG SER 45 9.728 -5.615 -18.676 300 H GLY 46 H GLY 46 7.138 -6.056 -15.978 301 HA2 GLY 46 1HA GLY 46 6.990 -8.305 -17.671 302 HA3 GLY 46 2HA GLY 46 6.826 -8.837 -16.004 Start of MODEL 19 1 H1 GLY 1 H GLY 1 2.603 -28.586 18.474 2 HA2 GLY 1 1HA GLY 1 2.736 -25.799 18.712 3 HA3 GLY 1 2HA GLY 1 2.021 -26.666 17.361 4 H SER 2 H SER 2 1.036 -24.223 18.290 5 HA SER 2 HA SER 2 -1.699 -24.953 18.793 6 HB2 SER 2 1HB SER 2 -1.986 -23.724 20.864 7 HB3 SER 2 2HB SER 2 -0.722 -24.933 21.090 8 HG SER 2 HG SER 2 0.702 -23.398 21.359 9 H SER 3 H SER 3 -2.826 -23.697 17.481 10 HA SER 3 HA SER 3 -2.233 -20.847 17.326 11 HB2 SER 3 1HB SER 3 -2.048 -20.775 14.947 12 HB3 SER 3 2HB SER 3 -0.948 -22.041 15.491 13 HG SER 3 HG SER 3 -2.866 -23.471 15.080 14 H GLY 4 H GLY 4 -3.963 -19.602 16.346 15 HA2 GLY 4 1HA GLY 4 -6.495 -21.008 15.948 16 HA3 GLY 4 2HA GLY 4 -6.422 -19.849 17.268 17 H SER 5 H SER 5 -8.228 -18.921 15.948 18 HA SER 5 HA SER 5 -7.137 -16.831 14.237 19 HB2 SER 5 1HB SER 5 -7.787 -18.680 12.702 20 HB3 SER 5 2HB SER 5 -9.435 -18.579 13.323 21 HG SER 5 HG SER 5 -9.684 -16.626 12.386 22 H SER 6 H SER 6 -8.099 -14.921 14.578 23 HA SER 6 HA SER 6 -10.377 -14.861 16.410 24 HB2 SER 6 1HB SER 6 -8.355 -12.793 15.556 25 HB3 SER 6 2HB SER 6 -9.806 -12.359 16.458 26 HG SER 6 HG SER 6 -7.925 -14.304 17.310 27 H GLY 7 H GLY 7 -9.363 -13.026 13.515 28 HA2 GLY 7 1HA GLY 7 -11.754 -13.475 12.090 29 HA3 GLY 7 2HA GLY 7 -11.881 -11.946 12.947 30 H THR 8 H THR 8 -10.020 -13.730 10.546 31 HA THR 8 HA THR 8 -8.265 -11.694 9.777 32 HB THR 8 HB THR 8 -8.181 -12.901 7.558 33 HG1 THR 8 HG1 THR 8 -9.818 -14.168 7.151 34 HG21 THR 8 3HG2 THR 8 -7.299 -13.713 10.123 35 HG22 THR 8 1HG2 THR 8 -6.581 -14.085 8.556 36 HG23 THR 8 2HG2 THR 8 -7.789 -15.165 9.252 37 H GLY 9 H GLY 9 -8.299 -10.548 7.647 38 HA2 GLY 9 1HA GLY 9 -10.965 -9.888 6.655 39 HA3 GLY 9 2HA GLY 9 -10.047 -8.579 7.385 40 H GLU 10 H GLU 10 -10.964 -8.662 4.690 41 HA GLU 10 HA GLU 10 -9.270 -9.506 2.736 42 HB2 GLU 10 1HB GLU 10 -10.864 -6.974 2.998 43 HB3 GLU 10 2HB GLU 10 -9.877 -7.266 1.572 44 HG2 GLU 10 1HG GLU 10 -11.148 -9.532 1.490 45 HG3 GLU 10 2HG GLU 10 -12.318 -8.697 2.510 46 H LYS 11 H LYS 11 -7.137 -9.393 2.595 47 HA LYS 11 HA LYS 11 -5.816 -6.853 3.288 48 HB2 LYS 11 1HB LYS 11 -3.927 -8.061 4.175 49 HB3 LYS 11 2HB LYS 11 -5.385 -8.621 4.983 50 HG2 LYS 11 1HG LYS 11 -5.302 -10.689 4.003 51 HG3 LYS 11 2HG LYS 11 -4.413 -10.106 2.594 52 HD2 LYS 11 1HD LYS 11 -2.586 -9.620 4.491 53 HD3 LYS 11 2HD LYS 11 -3.423 -10.979 5.245 54 HE2 LYS 11 1HE LYS 11 -2.665 -11.211 2.380 55 HE3 LYS 11 2HE LYS 11 -1.386 -11.329 3.587 56 HZ1 LYS 11 3HZ LYS 11 -2.019 -13.494 3.459 57 HZ2 LYS 11 1HZ LYS 11 -3.627 -13.138 3.071 58 HZ3 LYS 11 2HZ LYS 11 -3.089 -12.987 4.667 59 HA PRO 12 HA PRO 12 -4.813 -8.576 -1.044 60 HB2 PRO 12 1HB PRO 12 -6.272 -6.819 -2.511 61 HB3 PRO 12 2HB PRO 12 -6.912 -8.370 -1.955 62 HG2 PRO 12 1HG PRO 12 -7.291 -5.637 -0.793 63 HG3 PRO 12 2HG PRO 12 -8.485 -6.927 -1.031 64 HD2 PRO 12 1HD PRO 12 -7.337 -6.431 1.370 65 HD3 PRO 12 2HD PRO 12 -7.824 -8.061 0.864 66 H TYR 13 H TYR 13 -4.370 -5.939 0.871 67 HA TYR 13 HA TYR 13 -2.830 -4.458 -1.148 68 HB2 TYR 13 1HB TYR 13 -3.921 -3.626 1.542 69 HB3 TYR 13 2HB TYR 13 -2.808 -2.635 0.604 70 HD1 TYR 13 HD1 TYR 13 -6.196 -4.105 0.654 71 HD2 TYR 13 HD2 TYR 13 -3.566 -1.362 -1.260 72 HE1 TYR 13 HE1 TYR 13 -8.098 -3.152 -0.581 73 HE2 TYR 13 HE2 TYR 13 -5.461 -0.400 -2.499 74 HH TYR 13 HH TYR 13 -8.162 -1.744 -3.059 75 H GLU 14 H GLU 14 -0.702 -4.686 -1.158 76 HA GLU 14 HA GLU 14 0.690 -5.238 1.366 77 HB2 GLU 14 1HB GLU 14 0.764 -6.850 -1.149 78 HB3 GLU 14 2HB GLU 14 2.227 -6.720 -0.184 79 HG2 GLU 14 1HG GLU 14 1.362 -8.581 0.758 80 HG3 GLU 14 2HG GLU 14 0.550 -7.378 1.760 81 H CYS 15 H CYS 15 2.864 -4.543 1.445 82 HA CYS 15 HA CYS 15 3.401 -2.289 -0.306 83 HB2 CYS 15 1HB CYS 15 3.682 -2.236 2.222 84 HB3 CYS 15 2HB CYS 15 5.100 -3.254 1.995 85 H ASP 16 H ASP 16 4.880 -2.235 -1.885 86 HA ASP 16 HA ASP 16 6.231 -4.694 -2.594 87 HB2 ASP 16 1HB ASP 16 5.916 -2.016 -3.935 88 HB3 ASP 16 2HB ASP 16 7.023 -3.234 -4.562 89 H VAL 17 H VAL 17 7.045 -3.108 -0.199 90 HA VAL 17 HA VAL 17 9.891 -2.845 -0.903 91 HB VAL 17 HB VAL 17 8.376 -1.036 0.986 92 HG11 VAL 17 1HG1 VAL 17 11.060 -1.761 1.040 93 HG12 VAL 17 2HG1 VAL 17 11.037 -0.187 0.242 94 HG13 VAL 17 3HG1 VAL 17 10.321 -0.376 1.843 95 HG21 VAL 17 3HG2 VAL 17 7.826 -0.052 -0.972 96 HG22 VAL 17 1HG2 VAL 17 9.460 0.601 -0.857 97 HG23 VAL 17 2HG2 VAL 17 9.147 -0.820 -1.853 98 H CYS 18 H CYS 18 7.592 -3.162 1.797 99 HA CYS 18 HA CYS 18 9.597 -4.803 3.200 100 HB2 CYS 18 1HB CYS 18 8.331 -4.212 5.278 101 HB3 CYS 18 2HB CYS 18 9.089 -2.835 4.486 102 H ARG 19 H ARG 19 6.813 -5.000 1.437 103 HA ARG 19 HA ARG 19 5.324 -6.674 1.043 104 HB2 ARG 19 1HB ARG 19 7.023 -8.282 2.959 105 HB3 ARG 19 2HB ARG 19 5.836 -8.926 1.832 106 HG2 ARG 19 1HG ARG 19 8.202 -7.338 0.897 107 HG3 ARG 19 2HG ARG 19 8.291 -9.078 1.179 108 HD2 ARG 19 1HD ARG 19 6.222 -7.813 -0.602 109 HD3 ARG 19 2HD ARG 19 7.796 -8.343 -1.194 110 HE ARG 19 HE ARG 19 6.479 -10.419 0.228 111 HH11 ARG 19 1HH1 ARG 19 6.516 -8.735 -2.819 112 HH12 ARG 19 2HH1 ARG 19 5.874 -10.073 -3.714 113 HH21 ARG 19 1HH2 ARG 19 5.634 -12.187 -0.940 114 HH22 ARG 19 2HH2 ARG 19 5.372 -12.035 -2.644 115 H LYS 20 H LYS 20 4.848 -4.755 3.120 116 HA LYS 20 HA LYS 20 3.750 -6.016 5.422 117 HB2 LYS 20 1HB LYS 20 3.749 -3.276 4.270 118 HB3 LYS 20 2HB LYS 20 2.479 -3.659 5.424 119 HG2 LYS 20 1HG LYS 20 5.361 -4.195 6.045 120 HG3 LYS 20 2HG LYS 20 4.638 -2.605 6.302 121 HD2 LYS 20 1HD LYS 20 3.367 -5.086 7.411 122 HD3 LYS 20 2HD LYS 20 4.678 -4.272 8.268 123 HE2 LYS 20 1HE LYS 20 3.406 -2.255 8.434 124 HE3 LYS 20 2HE LYS 20 2.158 -2.890 7.364 125 HZ1 LYS 20 3HZ LYS 20 2.689 -4.472 9.734 126 HZ2 LYS 20 1HZ LYS 20 1.214 -4.056 9.016 127 HZ3 LYS 20 2HZ LYS 20 2.006 -2.952 10.023 128 H ALA 21 H ALA 21 1.315 -5.346 5.938 129 HA ALA 21 HA ALA 21 -0.442 -5.764 3.662 130 HB1 ALA 21 3HB ALA 21 -0.137 -8.025 4.079 131 HB2 ALA 21 1HB ALA 21 -0.039 -7.792 5.825 132 HB3 ALA 21 2HB ALA 21 -1.593 -7.650 5.001 133 H PHE 22 H PHE 22 -2.238 -4.597 3.891 134 HA PHE 22 HA PHE 22 -3.132 -3.897 6.604 135 HB2 PHE 22 1HB PHE 22 -3.150 -1.963 4.284 136 HB3 PHE 22 2HB PHE 22 -3.527 -1.618 5.968 137 HD1 PHE 22 HD1 PHE 22 -0.783 -2.617 3.690 138 HD2 PHE 22 HD2 PHE 22 -1.856 -0.959 7.461 139 HE1 PHE 22 HE1 PHE 22 1.566 -1.998 4.083 140 HE2 PHE 22 HE2 PHE 22 0.491 -0.336 7.859 141 HZ PHE 22 HZ PHE 22 2.205 -0.855 6.168 142 H SER 23 H SER 23 -5.396 -2.771 6.404 143 HA SER 23 HA SER 23 -7.068 -4.645 4.926 144 HB2 SER 23 1HB SER 23 -8.924 -3.594 6.265 145 HB3 SER 23 2HB SER 23 -7.666 -4.358 7.237 146 HG SER 23 HG SER 23 -7.594 -2.485 8.189 147 H HIS 24 H HIS 24 -7.110 -1.122 5.502 148 HA HIS 24 HA HIS 24 -8.642 -0.713 3.076 149 HB2 HIS 24 1HB HIS 24 -8.805 0.561 5.382 150 HB3 HIS 24 2HB HIS 24 -7.525 1.548 4.683 151 HD1 HIS 24 HD1 HIS 24 -8.279 3.427 3.252 152 HD2 HIS 24 HD2 HIS 24 -11.204 0.503 3.649 153 HE1 HIS 24 HE1 HIS 24 -10.311 4.347 2.091 154 H HIS 25 H HIS 25 -7.970 0.567 1.315 155 HA HIS 25 HA HIS 25 -5.353 0.120 0.423 156 HB2 HIS 25 1HB HIS 25 -5.941 1.318 -1.509 157 HB3 HIS 25 2HB HIS 25 -7.468 0.647 -0.944 158 HD1 HIS 25 HD1 HIS 25 -8.950 2.417 0.535 159 HD2 HIS 25 HD2 HIS 25 -6.004 3.994 -1.935 160 HE1 HIS 25 HE1 HIS 25 -9.540 4.845 0.250 161 H ALA 26 H ALA 26 -6.840 2.929 1.954 162 HA ALA 26 HA ALA 26 -4.792 4.782 1.593 163 HB1 ALA 26 3HB ALA 26 -6.332 4.728 4.149 164 HB2 ALA 26 1HB ALA 26 -5.871 6.101 3.142 165 HB3 ALA 26 2HB ALA 26 -7.174 5.028 2.628 166 H SER 27 H SER 27 -5.367 2.706 4.440 167 HA SER 27 HA SER 27 -3.284 3.319 6.034 168 HB2 SER 27 1HB SER 27 -4.421 0.608 5.364 169 HB3 SER 27 2HB SER 27 -3.174 0.814 6.594 170 HG SER 27 HG SER 27 -4.563 1.861 7.858 171 H LEU 28 H LEU 28 -3.088 1.708 2.956 172 HA LEU 28 HA LEU 28 -0.323 0.938 3.295 173 HB2 LEU 28 1HB LEU 28 -1.775 -0.464 1.969 174 HB3 LEU 28 2HB LEU 28 -2.151 0.886 0.900 175 HG LEU 28 HG LEU 28 0.284 0.897 0.244 176 HD11 LEU 28 1HD1 LEU 28 1.071 -0.369 2.227 177 HD12 LEU 28 2HD1 LEU 28 1.615 -1.049 0.694 178 HD13 LEU 28 3HD1 LEU 28 0.288 -1.808 1.573 179 HD21 LEU 28 3HD2 LEU 28 -1.230 0.007 -1.316 180 HD22 LEU 28 1HD2 LEU 28 -1.524 -1.431 -0.337 181 HD23 LEU 28 2HD2 LEU 28 0.027 -1.220 -1.149 182 H THR 29 H THR 29 -1.989 3.025 0.927 183 HA THR 29 HA THR 29 0.168 4.244 -0.219 184 HB THR 29 HB THR 29 -2.373 4.587 -0.662 185 HG1 THR 29 HG1 THR 29 -1.165 5.620 -2.105 186 HG21 THR 29 3HG2 THR 29 -2.962 5.578 1.468 187 HG22 THR 29 1HG2 THR 29 -3.202 6.763 0.184 188 HG23 THR 29 2HG2 THR 29 -1.784 6.868 1.228 189 H GLN 30 H GLN 30 -1.336 5.036 2.872 190 HA GLN 30 HA GLN 30 0.278 7.357 3.325 191 HB2 GLN 30 1HB GLN 30 -1.688 5.776 4.918 192 HB3 GLN 30 2HB GLN 30 -0.596 6.857 5.774 193 HG2 GLN 30 1HG GLN 30 -1.403 8.745 4.526 194 HG3 GLN 30 2HG GLN 30 -2.400 7.697 3.518 195 HE21 GLN 30 1HE2 GLN 30 -3.981 9.363 4.350 196 HE22 GLN 30 2HE2 GLN 30 -4.823 8.970 5.806 197 H HIS 31 H HIS 31 0.541 3.954 4.025 198 HA HIS 31 HA HIS 31 2.626 4.196 5.963 199 HB2 HIS 31 1HB HIS 31 1.603 2.163 6.217 200 HB3 HIS 31 2HB HIS 31 1.311 1.974 4.490 201 HD1 HIS 31 HD1 HIS 31 3.613 1.007 7.178 202 HD2 HIS 31 HD2 HIS 31 3.613 1.029 3.024 203 HE1 HIS 31 HE1 HIS 31 5.508 -0.499 6.498 204 H GLN 32 H GLN 32 2.590 3.185 2.546 205 HA GLN 32 HA GLN 32 5.125 2.609 1.978 206 HB2 GLN 32 1HB GLN 32 3.157 4.290 0.482 207 HB3 GLN 32 2HB GLN 32 4.790 4.126 -0.149 208 HG2 GLN 32 1HG GLN 32 3.328 1.659 0.614 209 HG3 GLN 32 2HG GLN 32 2.851 2.494 -0.862 210 HE21 GLN 32 1HE2 GLN 32 3.930 -0.090 -0.787 211 HE22 GLN 32 2HE2 GLN 32 5.461 -0.064 -1.588 212 H ARG 33 H ARG 33 3.979 5.800 2.854 213 HA ARG 33 HA ARG 33 5.987 7.471 2.122 214 HB2 ARG 33 1HB ARG 33 4.309 7.332 4.595 215 HB3 ARG 33 2HB ARG 33 5.595 8.527 4.498 216 HG2 ARG 33 1HG ARG 33 3.476 9.485 3.821 217 HG3 ARG 33 2HG ARG 33 4.600 9.437 2.461 218 HD2 ARG 33 1HD ARG 33 2.690 7.180 2.886 219 HD3 ARG 33 2HD ARG 33 2.119 8.678 2.151 220 HE ARG 33 HE ARG 33 3.905 6.726 0.978 221 HH11 ARG 33 1HH1 ARG 33 2.621 9.959 0.845 222 HH12 ARG 33 2HH1 ARG 33 3.002 10.182 -0.830 223 HH21 ARG 33 1HH2 ARG 33 4.412 7.007 -1.228 224 HH22 ARG 33 2HH2 ARG 33 4.020 8.502 -2.009 225 H VAL 34 H VAL 34 6.001 5.401 5.016 226 HA VAL 34 HA VAL 34 8.263 6.022 6.295 227 HB VAL 34 HB VAL 34 8.630 3.665 6.831 228 HG11 VAL 34 1HG1 VAL 34 5.807 4.674 6.748 229 HG12 VAL 34 2HG1 VAL 34 6.205 3.118 7.480 230 HG13 VAL 34 3HG1 VAL 34 6.920 4.600 8.114 231 HG21 VAL 34 3HG2 VAL 34 6.502 2.984 4.814 232 HG22 VAL 34 1HG2 VAL 34 8.228 2.882 4.462 233 HG23 VAL 34 2HG2 VAL 34 7.526 1.880 5.733 234 H HIS 35 H HIS 35 8.112 4.522 3.128 235 HA HIS 35 HA HIS 35 11.021 4.295 3.011 236 HB2 HIS 35 1HB HIS 35 9.090 3.581 0.810 237 HB3 HIS 35 2HB HIS 35 10.727 2.982 1.061 238 HD1 HIS 35 HD1 HIS 35 10.872 1.676 3.592 239 HD2 HIS 35 HD2 HIS 35 7.276 1.723 1.512 240 HE1 HIS 35 HE1 HIS 35 9.528 -0.231 4.530 241 H SER 36 H SER 36 12.272 5.309 1.400 242 HA SER 36 HA SER 36 11.327 7.946 0.704 243 HB2 SER 36 1HB SER 36 13.963 6.518 0.449 244 HB3 SER 36 2HB SER 36 13.691 8.065 -0.353 245 HG SER 36 HG SER 36 13.764 9.051 1.514 246 H GLY 37 H GLY 37 11.876 8.784 -1.558 247 HA2 GLY 37 1HA GLY 37 10.223 7.792 -3.454 248 HA3 GLY 37 2HA GLY 37 11.707 8.642 -3.860 249 H GLU 38 H GLU 38 13.684 7.329 -4.035 250 HA GLU 38 HA GLU 38 13.441 4.486 -4.323 251 HB2 GLU 38 1HB GLU 38 13.886 4.351 -6.702 252 HB3 GLU 38 2HB GLU 38 12.404 5.257 -6.428 253 HG2 GLU 38 1HG GLU 38 13.369 6.602 -7.971 254 HG3 GLU 38 2HG GLU 38 14.068 7.307 -6.514 255 H LYS 39 H LYS 39 15.538 3.606 -5.395 256 HA LYS 39 HA LYS 39 17.769 3.287 -5.006 257 HB2 LYS 39 1HB LYS 39 17.481 5.176 -6.848 258 HB3 LYS 39 2HB LYS 39 18.257 6.166 -5.619 259 HG2 LYS 39 1HG LYS 39 19.436 3.555 -6.500 260 HG3 LYS 39 2HG LYS 39 19.737 5.056 -7.379 261 HD2 LYS 39 1HD LYS 39 20.646 6.072 -5.358 262 HD3 LYS 39 2HD LYS 39 20.304 4.597 -4.449 263 HE2 LYS 39 1HE LYS 39 21.973 3.397 -5.528 264 HE3 LYS 39 2HE LYS 39 22.011 4.497 -6.905 265 HZ1 LYS 39 3HZ LYS 39 23.455 5.850 -5.885 266 HZ2 LYS 39 1HZ LYS 39 23.791 4.514 -4.903 267 HZ3 LYS 39 2HZ LYS 39 22.711 5.702 -4.373 268 HA PRO 40 HA PRO 40 17.558 5.611 -0.898 269 HB2 PRO 40 1HB PRO 40 17.121 3.441 0.673 270 HB3 PRO 40 2HB PRO 40 15.811 4.388 -0.043 271 HG2 PRO 40 1HG PRO 40 17.001 1.800 -0.965 272 HG3 PRO 40 2HG PRO 40 15.296 2.282 -0.884 273 HD2 PRO 40 1HD PRO 40 16.714 2.321 -3.191 274 HD3 PRO 40 2HD PRO 40 15.412 3.478 -2.851 275 H SER 41 H SER 41 19.215 5.648 0.625 276 HA SER 41 HA SER 41 21.495 3.897 0.004 277 HB2 SER 41 1HB SER 41 21.520 6.573 1.419 278 HB3 SER 41 2HB SER 41 22.927 5.645 0.899 279 HG SER 41 HG SER 41 22.514 6.140 -1.169 280 H GLY 42 H GLY 42 22.676 2.918 1.663 281 HA2 GLY 42 1HA GLY 42 21.806 3.211 4.414 282 HA3 GLY 42 2HA GLY 42 21.428 1.659 3.683 283 HA PRO 43 HA PRO 43 26.033 2.166 5.073 284 HB2 PRO 43 1HB PRO 43 25.904 1.660 7.737 285 HB3 PRO 43 2HB PRO 43 25.839 3.293 7.065 286 HG2 PRO 43 1HG PRO 43 23.599 1.536 7.992 287 HG3 PRO 43 2HG PRO 43 23.849 3.270 8.268 288 HD2 PRO 43 1HD PRO 43 22.152 2.324 6.381 289 HD3 PRO 43 2HD PRO 43 23.047 3.845 6.184 290 H SER 44 H SER 44 26.278 0.234 3.939 291 HA SER 44 HA SER 44 26.542 -2.117 5.548 292 HB2 SER 44 1HB SER 44 24.048 -1.981 4.846 293 HB3 SER 44 2HB SER 44 24.633 -2.421 3.242 294 HG SER 44 HG SER 44 25.539 -3.952 5.380 295 H SER 45 H SER 45 27.285 -4.009 4.175 296 HA SER 45 HA SER 45 28.488 -3.244 1.635 297 HB2 SER 45 1HB SER 45 30.725 -3.691 2.249 298 HB3 SER 45 2HB SER 45 30.095 -2.705 3.569 299 HG SER 45 HG SER 45 31.018 -5.260 3.606 300 H GLY 46 H GLY 46 28.202 -4.841 0.231 301 HA2 GLY 46 1HA GLY 46 27.675 -7.540 1.283 302 HA3 GLY 46 2HA GLY 46 27.125 -6.931 -0.271 Start of MODEL 20 1 H1 GLY 1 H GLY 1 11.368 -21.441 19.801 2 HA2 GLY 1 1HA GLY 1 12.702 -21.008 17.465 3 HA3 GLY 1 2HA GLY 1 11.688 -22.417 17.737 4 H SER 2 H SER 2 10.996 -22.551 15.609 5 HA SER 2 HA SER 2 9.681 -20.266 14.394 6 HB2 SER 2 1HB SER 2 9.419 -21.756 12.435 7 HB3 SER 2 2HB SER 2 11.093 -21.675 12.983 8 HG SER 2 HG SER 2 9.597 -23.677 14.142 9 H SER 3 H SER 3 7.621 -19.831 14.766 10 HA SER 3 HA SER 3 5.837 -22.004 15.617 11 HB2 SER 3 1HB SER 3 5.901 -19.058 16.124 12 HB3 SER 3 2HB SER 3 4.346 -19.889 16.167 13 HG SER 3 HG SER 3 4.876 -20.567 18.071 14 H GLY 4 H GLY 4 5.897 -19.141 13.499 15 HA2 GLY 4 1HA GLY 4 4.170 -20.579 11.620 16 HA3 GLY 4 2HA GLY 4 3.606 -19.027 12.224 17 H SER 5 H SER 5 4.055 -19.591 9.503 18 HA SER 5 HA SER 5 6.457 -17.987 8.925 19 HB2 SER 5 1HB SER 5 6.432 -18.990 6.687 20 HB3 SER 5 2HB SER 5 6.479 -20.243 7.927 21 HG SER 5 HG SER 5 4.248 -20.539 7.627 22 H SER 6 H SER 6 6.323 -16.244 7.521 23 HA SER 6 HA SER 6 3.881 -14.808 7.550 24 HB2 SER 6 1HB SER 6 5.083 -13.144 6.183 25 HB3 SER 6 2HB SER 6 6.054 -13.671 7.558 26 HG SER 6 HG SER 6 7.507 -14.223 6.161 27 H GLY 7 H GLY 7 3.150 -13.730 5.368 28 HA2 GLY 7 1HA GLY 7 2.703 -14.056 3.032 29 HA3 GLY 7 2HA GLY 7 3.013 -15.772 3.253 30 H THR 8 H THR 8 0.771 -13.201 4.251 31 HA THR 8 HA THR 8 -1.398 -15.193 4.130 32 HB THR 8 HB THR 8 -2.561 -13.886 5.916 33 HG1 THR 8 HG1 THR 8 -0.071 -12.531 5.906 34 HG21 THR 8 3HG2 THR 8 -1.454 -15.929 6.532 35 HG22 THR 8 1HG2 THR 8 -1.133 -14.729 7.783 36 HG23 THR 8 2HG2 THR 8 0.110 -15.118 6.594 37 H GLY 9 H GLY 9 -2.361 -14.704 2.235 38 HA2 GLY 9 1HA GLY 9 -2.640 -11.987 1.319 39 HA3 GLY 9 2HA GLY 9 -3.269 -13.426 0.530 40 H GLU 10 H GLU 10 -3.833 -12.001 3.746 41 HA GLU 10 HA GLU 10 -6.651 -12.519 3.544 42 HB2 GLU 10 1HB GLU 10 -6.779 -11.480 5.768 43 HB3 GLU 10 2HB GLU 10 -5.527 -12.712 5.695 44 HG2 GLU 10 1HG GLU 10 -3.806 -11.106 5.661 45 HG3 GLU 10 2HG GLU 10 -4.935 -9.793 5.334 46 H LYS 11 H LYS 11 -4.543 -9.829 2.965 47 HA LYS 11 HA LYS 11 -6.889 -8.114 2.469 48 HB2 LYS 11 1HB LYS 11 -4.218 -7.547 3.647 49 HB3 LYS 11 2HB LYS 11 -4.927 -6.302 2.627 50 HG2 LYS 11 1HG LYS 11 -5.718 -5.665 4.668 51 HG3 LYS 11 2HG LYS 11 -7.035 -6.713 4.134 52 HD2 LYS 11 1HD LYS 11 -6.403 -8.440 5.553 53 HD3 LYS 11 2HD LYS 11 -4.752 -7.838 5.712 54 HE2 LYS 11 1HE LYS 11 -7.181 -6.427 6.804 55 HE3 LYS 11 2HE LYS 11 -6.173 -7.527 7.744 56 HZ1 LYS 11 3HZ LYS 11 -5.252 -5.014 6.454 57 HZ2 LYS 11 1HZ LYS 11 -4.285 -6.070 7.355 58 HZ3 LYS 11 2HZ LYS 11 -5.543 -5.227 8.107 59 HA PRO 12 HA PRO 12 -5.752 -8.121 -1.790 60 HB2 PRO 12 1HB PRO 12 -7.069 -5.877 -2.565 61 HB3 PRO 12 2HB PRO 12 -7.893 -7.398 -2.202 62 HG2 PRO 12 1HG PRO 12 -7.546 -4.973 -0.481 63 HG3 PRO 12 2HG PRO 12 -8.987 -5.979 -0.719 64 HD2 PRO 12 1HD PRO 12 -7.386 -6.217 1.452 65 HD3 PRO 12 2HD PRO 12 -8.253 -7.598 0.749 66 H TYR 13 H TYR 13 -5.136 -5.383 0.289 67 HA TYR 13 HA TYR 13 -3.232 -4.275 -1.649 68 HB2 TYR 13 1HB TYR 13 -4.230 -3.078 0.943 69 HB3 TYR 13 2HB TYR 13 -3.223 -2.273 -0.255 70 HD1 TYR 13 HD1 TYR 13 -6.602 -3.501 0.498 71 HD2 TYR 13 HD2 TYR 13 -4.171 -1.411 -2.299 72 HE1 TYR 13 HE1 TYR 13 -8.624 -2.700 -0.651 73 HE2 TYR 13 HE2 TYR 13 -6.185 -0.603 -3.455 74 HH TYR 13 HH TYR 13 -8.882 -1.761 -3.477 75 H GLU 14 H GLU 14 -1.069 -4.077 -1.213 76 HA GLU 14 HA GLU 14 -0.001 -4.763 1.380 77 HB2 GLU 14 1HB GLU 14 -0.347 -6.983 0.395 78 HB3 GLU 14 2HB GLU 14 0.588 -6.509 -1.016 79 HG2 GLU 14 1HG GLU 14 2.533 -6.133 0.523 80 HG3 GLU 14 2HG GLU 14 1.571 -6.879 1.798 81 H CYS 15 H CYS 15 2.176 -4.179 1.635 82 HA CYS 15 HA CYS 15 3.047 -2.088 -0.127 83 HB2 CYS 15 1HB CYS 15 3.335 -2.033 2.360 84 HB3 CYS 15 2HB CYS 15 4.531 -3.316 2.204 85 H ASP 16 H ASP 16 4.441 -2.211 -1.763 86 HA ASP 16 HA ASP 16 5.575 -4.784 -2.456 87 HB2 ASP 16 1HB ASP 16 6.080 -2.260 -3.998 88 HB3 ASP 16 2HB ASP 16 5.936 -3.913 -4.589 89 H VAL 17 H VAL 17 6.586 -3.281 -0.113 90 HA VAL 17 HA VAL 17 9.418 -3.218 -0.909 91 HB VAL 17 HB VAL 17 8.091 -1.277 0.989 92 HG11 VAL 17 1HG1 VAL 17 10.190 -1.533 1.905 93 HG12 VAL 17 2HG1 VAL 17 10.947 -1.865 0.345 94 HG13 VAL 17 3HG1 VAL 17 10.465 -0.219 0.762 95 HG21 VAL 17 3HG2 VAL 17 9.497 -0.613 -1.580 96 HG22 VAL 17 1HG2 VAL 17 7.771 -0.972 -1.526 97 HG23 VAL 17 2HG2 VAL 17 8.416 0.399 -0.622 98 H CYS 18 H CYS 18 7.168 -3.369 1.843 99 HA CYS 18 HA CYS 18 9.106 -5.102 3.227 100 HB2 CYS 18 1HB CYS 18 7.980 -4.425 5.322 101 HB3 CYS 18 2HB CYS 18 8.666 -3.052 4.461 102 H ARG 19 H ARG 19 6.211 -5.103 1.575 103 HA ARG 19 HA ARG 19 4.596 -6.670 1.239 104 HB2 ARG 19 1HB ARG 19 6.344 -8.477 2.918 105 HB3 ARG 19 2HB ARG 19 5.070 -8.980 1.815 106 HG2 ARG 19 1HG ARG 19 7.554 -7.513 0.960 107 HG3 ARG 19 2HG ARG 19 7.373 -9.268 0.929 108 HD2 ARG 19 1HD ARG 19 5.353 -8.930 -0.527 109 HD3 ARG 19 2HD ARG 19 5.797 -7.227 -0.626 110 HE ARG 19 HE ARG 19 8.053 -8.405 -1.424 111 HH11 ARG 19 1HH1 ARG 19 4.737 -8.964 -2.325 112 HH12 ARG 19 2HH1 ARG 19 5.125 -9.486 -3.931 113 HH21 ARG 19 1HH2 ARG 19 8.577 -9.090 -3.536 114 HH22 ARG 19 2HH2 ARG 19 7.309 -9.557 -4.619 115 H LYS 20 H LYS 20 4.021 -4.872 3.169 116 HA LYS 20 HA LYS 20 2.997 -6.371 5.468 117 HB2 LYS 20 1HB LYS 20 4.304 -4.193 5.719 118 HB3 LYS 20 2HB LYS 20 2.884 -3.384 5.069 119 HG2 LYS 20 1HG LYS 20 1.542 -4.231 6.919 120 HG3 LYS 20 2HG LYS 20 2.955 -5.069 7.566 121 HD2 LYS 20 1HD LYS 20 4.067 -2.750 7.578 122 HD3 LYS 20 2HD LYS 20 2.429 -2.118 7.392 123 HE2 LYS 20 1HE LYS 20 1.747 -2.950 9.464 124 HE3 LYS 20 2HE LYS 20 3.091 -4.088 9.553 125 HZ1 LYS 20 3HZ LYS 20 4.418 -2.555 10.456 126 HZ2 LYS 20 1HZ LYS 20 3.001 -1.695 10.792 127 HZ3 LYS 20 2HZ LYS 20 3.904 -1.329 9.410 128 H ALA 21 H ALA 21 0.812 -6.306 6.070 129 HA ALA 21 HA ALA 21 -1.010 -5.862 3.824 130 HB1 ALA 21 3HB ALA 21 -2.475 -6.988 5.889 131 HB2 ALA 21 1HB ALA 21 -1.781 -7.835 4.506 132 HB3 ALA 21 2HB ALA 21 -0.886 -7.741 6.023 133 H PHE 22 H PHE 22 -2.808 -4.546 3.943 134 HA PHE 22 HA PHE 22 -3.127 -2.918 6.366 135 HB2 PHE 22 1HB PHE 22 -3.028 -1.844 3.539 136 HB3 PHE 22 2HB PHE 22 -3.421 -0.900 4.972 137 HD1 PHE 22 HD1 PHE 22 -0.762 -2.563 3.098 138 HD2 PHE 22 HD2 PHE 22 -1.708 -0.259 6.549 139 HE1 PHE 22 HE1 PHE 22 1.628 -2.080 3.426 140 HE2 PHE 22 HE2 PHE 22 0.680 0.230 6.882 141 HZ PHE 22 HZ PHE 22 2.352 -0.681 5.319 142 H SER 23 H SER 23 -5.187 -2.586 6.968 143 HA SER 23 HA SER 23 -7.276 -4.097 5.965 144 HB2 SER 23 1HB SER 23 -7.258 -1.573 7.617 145 HB3 SER 23 2HB SER 23 -8.756 -2.408 7.204 146 HG SER 23 HG SER 23 -7.831 -4.293 8.196 147 H HIS 24 H HIS 24 -6.345 -0.783 5.182 148 HA HIS 24 HA HIS 24 -8.080 -0.929 2.819 149 HB2 HIS 24 1HB HIS 24 -8.332 1.675 3.306 150 HB3 HIS 24 2HB HIS 24 -9.440 0.493 3.994 151 HD1 HIS 24 HD1 HIS 24 -7.374 3.260 4.937 152 HD2 HIS 24 HD2 HIS 24 -8.535 -0.298 6.741 153 HE1 HIS 24 HE1 HIS 24 -6.966 3.589 7.397 154 H HIS 25 H HIS 25 -7.546 1.076 1.356 155 HA HIS 25 HA HIS 25 -4.807 0.822 0.631 156 HB2 HIS 25 1HB HIS 25 -5.399 2.634 -1.045 157 HB3 HIS 25 2HB HIS 25 -6.357 1.160 -1.139 158 HD1 HIS 25 HD1 HIS 25 -6.650 4.777 -0.770 159 HD2 HIS 25 HD2 HIS 25 -9.008 1.453 0.038 160 HE1 HIS 25 HE1 HIS 25 -8.983 5.666 -0.464 161 H ALA 26 H ALA 26 -6.712 3.611 1.776 162 HA ALA 26 HA ALA 26 -4.825 5.552 1.920 163 HB1 ALA 26 3HB ALA 26 -6.582 6.566 2.821 164 HB2 ALA 26 1HB ALA 26 -7.319 5.018 3.236 165 HB3 ALA 26 2HB ALA 26 -6.192 5.787 4.354 166 H SER 27 H SER 27 -5.180 2.819 4.108 167 HA SER 27 HA SER 27 -3.313 3.696 6.049 168 HB2 SER 27 1HB SER 27 -4.671 1.129 5.395 169 HB3 SER 27 2HB SER 27 -3.219 1.044 6.392 170 HG SER 27 HG SER 27 -5.033 2.996 7.115 171 H LEU 28 H LEU 28 -3.021 1.852 3.073 172 HA LEU 28 HA LEU 28 -0.239 1.225 3.521 173 HB2 LEU 28 1HB LEU 28 -1.443 -0.390 2.302 174 HB3 LEU 28 2HB LEU 28 -2.132 0.823 1.225 175 HG LEU 28 HG LEU 28 0.207 1.175 0.331 176 HD11 LEU 28 1HD1 LEU 28 1.375 0.134 2.241 177 HD12 LEU 28 2HD1 LEU 28 1.835 -0.565 0.689 178 HD13 LEU 28 3HD1 LEU 28 0.727 -1.432 1.752 179 HD21 LEU 28 3HD2 LEU 28 -0.652 -1.648 -0.130 180 HD22 LEU 28 1HD2 LEU 28 -0.090 -0.440 -1.286 181 HD23 LEU 28 2HD2 LEU 28 -1.712 -0.320 -0.604 182 H THR 29 H THR 29 -2.039 3.250 1.206 183 HA THR 29 HA THR 29 0.014 4.363 -0.210 184 HB THR 29 HB THR 29 -2.558 4.805 -0.331 185 HG1 THR 29 HG1 THR 29 -1.083 7.120 -0.893 186 HG21 THR 29 3HG2 THR 29 -2.744 5.899 1.851 187 HG22 THR 29 1HG2 THR 29 -3.207 6.996 0.552 188 HG23 THR 29 2HG2 THR 29 -1.628 7.157 1.321 189 H GLN 30 H GLN 30 -1.054 5.218 3.035 190 HA GLN 30 HA GLN 30 0.686 7.488 3.250 191 HB2 GLN 30 1HB GLN 30 -1.502 7.069 4.528 192 HB3 GLN 30 2HB GLN 30 -0.551 6.011 5.562 193 HG2 GLN 30 1HG GLN 30 1.005 8.090 5.778 194 HG3 GLN 30 2HG GLN 30 -0.430 8.972 5.258 195 HE21 GLN 30 1HE2 GLN 30 1.227 8.248 7.882 196 HE22 GLN 30 2HE2 GLN 30 -0.035 8.124 9.055 197 H HIS 31 H HIS 31 0.672 4.236 4.704 198 HA HIS 31 HA HIS 31 3.032 4.387 6.129 199 HB2 HIS 31 1HB HIS 31 1.891 2.434 6.558 200 HB3 HIS 31 2HB HIS 31 1.513 2.155 4.861 201 HD1 HIS 31 HD1 HIS 31 3.857 1.209 7.504 202 HD2 HIS 31 HD2 HIS 31 3.744 1.071 3.354 203 HE1 HIS 31 HE1 HIS 31 5.667 -0.403 6.836 204 H GLN 32 H GLN 32 2.600 3.327 2.759 205 HA GLN 32 HA GLN 32 5.020 2.545 1.965 206 HB2 GLN 32 1HB GLN 32 3.131 4.446 0.604 207 HB3 GLN 32 2HB GLN 32 4.625 3.941 -0.175 208 HG2 GLN 32 1HG GLN 32 2.624 1.966 0.870 209 HG3 GLN 32 2HG GLN 32 2.516 2.654 -0.750 210 HE21 GLN 32 1HE2 GLN 32 2.680 0.232 -1.122 211 HE22 GLN 32 2HE2 GLN 32 4.268 -0.395 -1.380 212 H ARG 33 H ARG 33 4.151 5.951 2.463 213 HA ARG 33 HA ARG 33 6.351 7.284 1.637 214 HB2 ARG 33 1HB ARG 33 4.622 7.662 4.057 215 HB3 ARG 33 2HB ARG 33 6.005 8.717 3.795 216 HG2 ARG 33 1HG ARG 33 3.946 9.704 2.947 217 HG3 ARG 33 2HG ARG 33 5.100 9.402 1.647 218 HD2 ARG 33 1HD ARG 33 3.901 7.326 1.095 219 HD3 ARG 33 2HD ARG 33 2.733 7.678 2.368 220 HE ARG 33 HE ARG 33 1.768 9.278 1.014 221 HH11 ARG 33 1HH1 ARG 33 4.747 8.154 -0.393 222 HH12 ARG 33 2HH1 ARG 33 4.463 8.915 -1.923 223 HH21 ARG 33 1HH2 ARG 33 1.383 10.284 -0.996 224 HH22 ARG 33 2HH2 ARG 33 2.550 10.127 -2.265 225 H VAL 34 H VAL 34 6.056 5.632 4.773 226 HA VAL 34 HA VAL 34 8.302 6.180 6.089 227 HB VAL 34 HB VAL 34 8.448 3.867 6.876 228 HG11 VAL 34 1HG1 VAL 34 6.791 4.951 8.039 229 HG12 VAL 34 2HG1 VAL 34 5.795 5.201 6.604 230 HG13 VAL 34 3HG1 VAL 34 5.883 3.605 7.351 231 HG21 VAL 34 3HG2 VAL 34 6.481 2.413 5.751 232 HG22 VAL 34 1HG2 VAL 34 7.007 3.353 4.354 233 HG23 VAL 34 2HG2 VAL 34 8.164 2.348 5.227 234 H HIS 35 H HIS 35 8.173 4.241 3.148 235 HA HIS 35 HA HIS 35 11.054 3.821 3.196 236 HB2 HIS 35 1HB HIS 35 9.205 3.019 0.961 237 HB3 HIS 35 2HB HIS 35 10.744 2.298 1.424 238 HD1 HIS 35 HD1 HIS 35 10.560 1.303 4.086 239 HD2 HIS 35 HD2 HIS 35 7.148 1.460 1.720 240 HE1 HIS 35 HE1 HIS 35 8.949 -0.328 5.120 241 H SER 36 H SER 36 12.488 4.993 2.087 242 HA SER 36 HA SER 36 11.464 6.897 0.083 243 HB2 SER 36 1HB SER 36 12.226 7.950 2.244 244 HB3 SER 36 2HB SER 36 13.849 7.361 1.885 245 HG SER 36 HG SER 36 12.659 9.566 0.994 246 H GLY 37 H GLY 37 14.366 5.134 1.156 247 HA2 GLY 37 1HA GLY 37 15.265 3.652 -0.695 248 HA3 GLY 37 2HA GLY 37 15.280 5.126 -1.652 249 H GLU 38 H GLU 38 16.355 6.998 -0.110 250 HA GLU 38 HA GLU 38 19.106 6.321 -0.076 251 HB2 GLU 38 1HB GLU 38 18.106 8.614 -0.482 252 HB3 GLU 38 2HB GLU 38 17.849 8.719 1.254 253 HG2 GLU 38 1HG GLU 38 20.575 8.030 0.344 254 HG3 GLU 38 2HG GLU 38 20.018 9.676 0.049 255 H LYS 39 H LYS 39 20.469 6.937 1.933 256 HA LYS 39 HA LYS 39 21.213 6.026 3.909 257 HB2 LYS 39 1HB LYS 39 20.053 6.916 5.827 258 HB3 LYS 39 2HB LYS 39 20.037 8.123 4.548 259 HG2 LYS 39 1HG LYS 39 17.717 6.288 4.726 260 HG3 LYS 39 2HG LYS 39 17.883 7.530 5.969 261 HD2 LYS 39 1HD LYS 39 18.231 8.357 3.139 262 HD3 LYS 39 2HD LYS 39 16.597 7.971 3.683 263 HE2 LYS 39 1HE LYS 39 18.394 9.854 5.186 264 HE3 LYS 39 2HE LYS 39 17.343 10.398 3.880 265 HZ1 LYS 39 3HZ LYS 39 16.212 8.818 6.087 266 HZ2 LYS 39 1HZ LYS 39 15.460 9.961 5.092 267 HZ3 LYS 39 2HZ LYS 39 16.512 10.467 6.316 268 HA PRO 40 HA PRO 40 18.135 2.419 3.680 269 HB2 PRO 40 1HB PRO 40 19.707 0.700 2.285 270 HB3 PRO 40 2HB PRO 40 18.584 1.822 1.507 271 HG2 PRO 40 1HG PRO 40 21.539 2.076 1.910 272 HG3 PRO 40 2HG PRO 40 20.569 2.455 0.475 273 HD2 PRO 40 1HD PRO 40 21.427 4.359 2.198 274 HD3 PRO 40 2HD PRO 40 19.892 4.492 1.316 275 H SER 41 H SER 41 18.663 2.425 5.957 276 HA SER 41 HA SER 41 20.991 0.777 6.674 277 HB2 SER 41 1HB SER 41 20.548 1.662 9.007 278 HB3 SER 41 2HB SER 41 21.048 2.873 7.825 279 HG SER 41 HG SER 41 19.113 3.274 9.267 280 H GLY 42 H GLY 42 20.490 -1.311 6.831 281 HA2 GLY 42 1HA GLY 42 17.823 -2.195 7.471 282 HA3 GLY 42 2HA GLY 42 19.218 -3.219 7.159 283 HA PRO 43 HA PRO 43 18.163 -2.686 11.817 284 HB2 PRO 43 1HB PRO 43 16.515 -4.811 12.198 285 HB3 PRO 43 2HB PRO 43 15.922 -3.194 11.801 286 HG2 PRO 43 1HG PRO 43 16.335 -5.553 10.005 287 HG3 PRO 43 2HG PRO 43 14.980 -4.410 10.058 288 HD2 PRO 43 1HD PRO 43 16.960 -4.238 8.219 289 HD3 PRO 43 2HD PRO 43 16.120 -2.809 8.854 290 H SER 44 H SER 44 19.559 -4.764 9.665 291 HA SER 44 HA SER 44 20.136 -7.143 10.723 292 HB2 SER 44 1HB SER 44 22.178 -5.185 9.647 293 HB3 SER 44 2HB SER 44 22.473 -6.909 9.874 294 HG SER 44 HG SER 44 21.632 -5.947 7.723 295 H SER 45 H SER 45 20.416 -7.737 12.765 296 HA SER 45 HA SER 45 21.323 -6.072 14.833 297 HB2 SER 45 1HB SER 45 20.001 -8.348 14.883 298 HB3 SER 45 2HB SER 45 21.614 -9.047 15.030 299 HG SER 45 HG SER 45 20.409 -7.135 16.746 300 H GLY 46 H GLY 46 23.285 -5.769 15.794 301 HA2 GLY 46 1HA GLY 46 25.593 -7.032 14.446 302 HA3 GLY 46 2HA GLY 46 25.600 -5.373 15.025
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