NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16645 | 2aih | 7078 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 6.970 -15.234 9.194 2 2H GLY 1 2H GLY 1 6.526 -16.561 10.157 3 3H GLY 1 3H GLY 1 5.458 -15.253 9.967 4 1HA GLY 1 1HA GLY 1 6.215 -17.322 8.052 5 2HA GLY 1 2HA GLY 1 4.575 -16.785 8.601 6 H ASP 2 H ASP 2 3.943 -16.598 6.412 7 HA ASP 2 HA ASP 2 4.690 -14.101 5.069 8 1HB ASP 2 1HB ASP 2 4.760 -16.745 3.497 9 2HB ASP 2 2HB ASP 2 5.391 -15.145 2.997 10 HD2 ASP 2 HD2 ASP 2 7.646 -17.825 4.827 11 H ASP 3 H ASP 3 2.275 -16.365 5.932 12 HA ASP 3 HA ASP 3 0.606 -15.730 3.603 13 1HB ASP 3 1HB ASP 3 -0.919 -17.471 4.401 14 2HB ASP 3 2HB ASP 3 0.748 -18.088 4.190 15 HD2 ASP 3 HD2 ASP 3 1.083 -19.483 5.549 16 H VAL 4 H VAL 4 1.403 -13.889 5.654 17 HA VAL 4 HA VAL 4 -0.787 -13.446 7.408 18 HB VAL 4 HB VAL 4 1.616 -13.144 7.970 19 1HG1 VAL 4 1HG1 VAL 4 2.622 -10.895 7.616 20 2HG1 VAL 4 2HG1 VAL 4 1.233 -10.378 6.611 21 3HG1 VAL 4 3HG1 VAL 4 2.322 -11.684 6.029 22 1HG2 VAL 4 1HG2 VAL 4 -0.323 -10.898 8.768 23 2HG2 VAL 4 2HG2 VAL 4 1.170 -11.400 9.618 24 3HG2 VAL 4 3HG2 VAL 4 -0.204 -12.549 9.487 25 H LYS 5 H LYS 5 -2.340 -11.892 7.540 26 HA LYS 5 HA LYS 5 -2.873 -10.294 5.149 27 1HB LYS 5 1HB LYS 5 -4.496 -10.999 7.659 28 2HB LYS 5 2HB LYS 5 -5.119 -9.901 6.396 29 1HG LYS 5 1HG LYS 5 -4.344 -12.827 5.853 30 2HG LYS 5 2HG LYS 5 -5.982 -12.268 6.329 31 1HD LYS 5 1HD LYS 5 -5.996 -10.697 4.327 32 2HD LYS 5 2HD LYS 5 -4.476 -11.478 3.757 33 1HE LYS 5 1HE LYS 5 -5.668 -13.702 3.671 34 2HE LYS 5 2HE LYS 5 -7.182 -12.910 4.269 35 1HZ LYS 5 1HZ LYS 5 -7.217 -13.153 1.922 36 2HZ LYS 5 2HZ LYS 5 -5.754 -12.312 1.731 37 3HZ LYS 5 3HZ LYS 5 -7.135 -11.503 2.307 38 H SER 6 H SER 6 -0.756 -9.680 7.088 39 HA SER 6 HA SER 6 -1.373 -7.411 8.627 40 1HB SER 6 1HB SER 6 1.278 -7.947 7.168 41 2HB SER 6 2HB SER 6 1.012 -6.640 8.390 42 HG SER 6 HG SER 6 1.821 -8.332 9.515 43 H ALA 7 H ALA 7 -0.439 -7.593 5.191 44 HA ALA 7 HA ALA 7 -2.106 -5.353 4.657 45 1HB ALA 7 1HB ALA 7 0.087 -4.200 5.173 46 2HB ALA 7 2HB ALA 7 -0.221 -4.127 3.397 47 3HB ALA 7 3HB ALA 7 0.919 -5.348 4.083 48 H CYS 8 H CYS 8 -2.793 -5.355 2.512 49 HA CYS 8 HA CYS 8 -1.568 -7.315 0.672 50 1HB CYS 8 1HB CYS 8 -4.521 -6.493 0.703 51 2HB CYS 8 2HB CYS 8 -3.692 -7.462 -0.550 52 H CYS 9 H CYS 9 -1.464 -6.538 -1.544 53 HA CYS 9 HA CYS 9 -2.174 -3.752 -2.012 54 1HB CYS 9 1HB CYS 9 -0.115 -3.560 -0.678 55 2HB CYS 9 2HB CYS 9 0.674 -4.835 -1.649 56 H ASP 10 H ASP 10 -2.809 -3.640 -4.188 57 HA ASP 10 HA ASP 10 -1.904 -5.788 -5.958 58 1HB ASP 10 1HB ASP 10 -4.088 -3.707 -5.946 59 2HB ASP 10 2HB ASP 10 -3.585 -4.293 -7.508 60 HD2 ASP 10 HD2 ASP 10 -4.058 -6.341 -8.099 61 H THR 11 H THR 11 -0.668 -2.752 -5.192 62 HA THR 11 HA THR 11 0.917 -2.761 -7.607 63 HB THR 11 HB THR 11 -0.533 -0.120 -7.159 64 HG1 THR 11 HG1 THR 11 -1.313 -2.134 -8.998 65 1HG2 THR 11 1HG2 THR 11 0.191 0.233 -9.512 66 2HG2 THR 11 2HG2 THR 11 0.888 -1.437 -9.564 67 3HG2 THR 11 3HG2 THR 11 1.607 -0.188 -8.483 68 H CYS 12 H CYS 12 2.594 -2.996 -6.400 69 HA CYS 12 HA CYS 12 3.512 -0.970 -4.536 70 1HB CYS 12 1HB CYS 12 4.879 -3.356 -5.874 71 2HB CYS 12 2HB CYS 12 5.611 -2.356 -4.538 72 H LEU 13 H LEU 13 5.386 0.344 -4.967 73 HA LEU 13 HA LEU 13 6.445 0.416 -7.696 74 1HB LEU 13 1HB LEU 13 4.478 1.953 -7.528 75 2HB LEU 13 2HB LEU 13 5.255 2.800 -6.160 76 HG LEU 13 HG LEU 13 6.427 2.552 -9.028 77 1HD1 LEU 13 1HD1 LEU 13 4.807 4.881 -7.825 78 2HD1 LEU 13 2HD1 LEU 13 4.189 3.681 -9.025 79 3HD1 LEU 13 3HD1 LEU 13 5.523 4.809 -9.476 80 1HD2 LEU 13 1HD2 LEU 13 7.132 4.462 -6.700 81 2HD2 LEU 13 2HD2 LEU 13 7.697 4.673 -8.405 82 3HD2 LEU 13 3HD2 LEU 13 8.209 3.235 -7.469 83 H CYS 14 H CYS 14 8.401 -0.069 -7.255 84 HA CYS 14 HA CYS 14 9.773 1.128 -4.982 85 1HB CYS 14 1HB CYS 14 10.687 -1.121 -6.788 86 2HB CYS 14 2HB CYS 14 11.625 -0.415 -5.457 87 H THR 15 H THR 15 11.333 2.540 -5.117 88 HA THR 15 HA THR 15 11.256 4.111 -7.503 89 HB THR 15 HB THR 15 12.808 5.674 -6.328 90 HG1 THR 15 HG1 THR 15 12.206 4.154 -4.060 91 1HG2 THR 15 1HG2 THR 15 11.057 6.365 -4.695 92 2HG2 THR 15 2HG2 THR 15 10.268 4.750 -4.779 93 3HG2 THR 15 3HG2 THR 15 10.291 5.810 -6.224 94 H ARG 16 H ARG 16 12.819 4.928 -8.764 95 HA ARG 16 HA ARG 16 15.157 3.344 -9.304 96 1HB ARG 16 1HB ARG 16 13.934 5.878 -10.504 97 2HB ARG 16 2HB ARG 16 15.491 5.181 -11.083 98 1HG ARG 16 1HG ARG 16 14.545 3.351 -12.046 99 2HG ARG 16 2HG ARG 16 13.109 3.313 -10.970 100 1HD ARG 16 1HD ARG 16 12.043 5.198 -12.156 101 2HD ARG 16 2HD ARG 16 13.557 5.499 -13.104 102 HE ARG 16 HE ARG 16 13.050 3.737 -14.507 103 1HH1 ARG 16 1HH1 ARG 16 10.937 3.381 -11.635 104 2HH1 ARG 16 2HH1 ARG 16 10.059 2.049 -12.314 105 1HH2 ARG 16 1HH2 ARG 16 11.858 2.014 -15.373 106 2HH2 ARG 16 2HH2 ARG 16 10.575 1.269 -14.471 107 H SER 17 H SER 17 16.826 3.633 -7.852 108 HA SER 17 HA SER 17 17.886 6.152 -7.124 109 1HB SER 17 1HB SER 17 15.571 6.077 -5.830 110 2HB SER 17 2HB SER 17 16.310 4.770 -4.866 111 HG SER 17 HG SER 17 16.536 6.774 -3.897 112 H GLN 18 H GLN 18 19.042 5.723 -4.895 113 HA GLN 18 HA GLN 18 20.130 3.075 -4.604 114 1HB GLN 18 1HB GLN 18 21.305 4.341 -6.574 115 2HB GLN 18 2HB GLN 18 22.088 5.323 -5.320 116 1HG GLN 18 1HG GLN 18 22.244 2.239 -5.760 117 2HG GLN 18 2HG GLN 18 23.569 3.425 -6.008 118 1HE2 GLN 18 1HE2 GLN 18 24.085 4.750 -3.885 119 2HE2 GLN 18 2HE2 GLN 18 24.147 3.803 -2.414 120 HA PRO 19 HA PRO 19 19.983 2.028 -2.781 121 1HB PRO 19 1HB PRO 19 18.878 1.689 -0.272 122 2HB PRO 19 2HB PRO 19 20.686 1.856 -0.496 123 1HG PRO 19 1HG PRO 19 18.682 4.081 0.213 124 2HG PRO 19 2HG PRO 19 20.187 3.617 1.113 125 1HD PRO 19 1HD PRO 19 20.128 5.639 -0.791 126 2HD PRO 19 2HD PRO 19 21.591 4.567 -0.597 127 HA PRO 20 HA PRO 20 15.801 2.932 -3.926 128 1HB PRO 20 1HB PRO 20 14.491 0.515 -3.852 129 2HB PRO 20 2HB PRO 20 15.930 0.750 -4.920 130 1HG PRO 20 1HG PRO 20 15.927 -0.415 -2.074 131 2HG PRO 20 2HG PRO 20 16.556 -1.196 -3.584 132 1HD PRO 20 1HD PRO 20 18.194 0.238 -1.890 133 2HD PRO 20 2HD PRO 20 18.408 0.343 -3.710 134 H THR 21 H THR 21 13.523 2.702 -3.316 135 HA THR 21 HA THR 21 12.828 2.539 -0.458 136 HB THR 21 HB THR 21 12.452 5.072 -2.212 137 HG1 THR 21 HG1 THR 21 14.473 5.299 -1.543 138 1HG2 THR 21 1HG2 THR 21 11.808 4.483 0.762 139 2HG2 THR 21 2HG2 THR 21 10.611 4.764 -0.577 140 3HG2 THR 21 3HG2 THR 21 11.669 6.084 -0.036 141 H CYS 22 H CYS 22 10.519 1.992 -0.338 142 HA CYS 22 HA CYS 22 9.121 1.998 -2.941 143 1HB CYS 22 1HB CYS 22 10.630 -0.111 -2.500 144 2HB CYS 22 2HB CYS 22 9.492 -0.522 -1.190 145 H ARG 23 H ARG 23 6.946 1.292 -2.790 146 HA ARG 23 HA ARG 23 5.449 1.686 -0.335 147 1HB ARG 23 1HB ARG 23 5.996 3.938 -2.370 148 2HB ARG 23 2HB ARG 23 4.412 3.860 -1.549 149 1HG ARG 23 1HG ARG 23 5.472 4.045 0.675 150 2HG ARG 23 2HG ARG 23 7.080 4.237 -0.106 151 1HD ARG 23 1HD ARG 23 6.135 6.402 0.611 152 2HD ARG 23 2HD ARG 23 6.412 6.357 -1.165 153 HE ARG 23 HE ARG 23 3.783 6.132 0.322 154 1HH1 ARG 23 1HH1 ARG 23 5.386 6.720 -2.867 155 2HH1 ARG 23 2HH1 ARG 23 3.893 6.966 -3.672 156 1HH2 ARG 23 1HH2 ARG 23 1.883 6.418 -0.778 157 2HH2 ARG 23 2HH2 ARG 23 1.831 6.768 -2.478 158 H CYS 24 H CYS 24 3.260 1.489 -0.685 159 HA CYS 24 HA CYS 24 2.471 0.290 -3.242 160 1HB CYS 24 1HB CYS 24 1.219 0.296 -0.458 161 2HB CYS 24 2HB CYS 24 0.245 -0.114 -1.897 162 H VAL 25 H VAL 25 1.920 1.668 -4.799 163 HA VAL 25 HA VAL 25 0.645 4.135 -4.265 164 HB VAL 25 HB VAL 25 0.401 4.408 -6.661 165 1HG1 VAL 25 1HG1 VAL 25 2.831 4.666 -7.010 166 2HG1 VAL 25 2HG1 VAL 25 3.195 3.493 -5.684 167 3HG1 VAL 25 3HG1 VAL 25 2.431 5.085 -5.305 168 1HG2 VAL 25 1HG2 VAL 25 0.109 2.017 -7.376 169 2HG2 VAL 25 2HG2 VAL 25 1.807 1.649 -6.866 170 3HG2 VAL 25 3HG2 VAL 25 1.495 2.795 -8.207 171 H ASP 26 H ASP 26 -0.484 0.948 -4.688 172 HA ASP 26 HA ASP 26 -3.167 1.646 -5.414 173 1HB ASP 26 1HB ASP 26 -2.056 -0.569 -5.949 174 2HB ASP 26 2HB ASP 26 -2.211 -1.005 -4.216 175 HD2 ASP 26 HD2 ASP 26 -3.989 -0.103 -7.121 176 H VAL 27 H VAL 27 -4.314 2.882 -4.104 177 HA VAL 27 HA VAL 27 -4.077 2.733 -1.244 178 HB VAL 27 HB VAL 27 -5.527 4.640 -1.160 179 1HG1 VAL 27 1HG1 VAL 27 -3.097 4.888 -1.668 180 2HG1 VAL 27 2HG1 VAL 27 -4.096 6.205 -2.403 181 3HG1 VAL 27 3HG1 VAL 27 -3.459 4.875 -3.433 182 1HG2 VAL 27 1HG2 VAL 27 -7.168 4.078 -2.940 183 2HG2 VAL 27 2HG2 VAL 27 -5.904 4.323 -4.210 184 3HG2 VAL 27 3HG2 VAL 27 -6.444 5.699 -3.191 185 H ARG 28 H ARG 28 -5.701 2.475 0.278 186 HA ARG 28 HA ARG 28 -7.906 0.754 -0.649 187 1HB ARG 28 1HB ARG 28 -5.944 0.389 1.671 188 2HB ARG 28 2HB ARG 28 -7.434 -0.606 1.520 189 1HG ARG 28 1HG ARG 28 -5.096 -0.506 -0.461 190 2HG ARG 28 2HG ARG 28 -5.480 -1.835 0.699 191 1HD ARG 28 1HD ARG 28 -7.611 -2.346 -0.512 192 2HD ARG 28 2HD ARG 28 -7.376 -0.920 -1.572 193 HE ARG 28 HE ARG 28 -5.684 -1.941 -2.767 194 1HH1 ARG 28 1HH1 ARG 28 -6.545 -4.156 -0.037 195 2HH1 ARG 28 2HH1 ARG 28 -5.919 -5.536 -0.867 196 1HH2 ARG 28 1HH2 ARG 28 -4.874 -3.786 -3.752 197 2HH2 ARG 28 2HH2 ARG 28 -4.995 -5.344 -3.002 198 H GLU 29 H GLU 29 -9.481 0.223 0.970 199 HA GLU 29 HA GLU 29 -10.652 2.273 2.464 200 1HB GLU 29 1HB GLU 29 -10.775 -0.770 2.309 201 2HB GLU 29 2HB GLU 29 -11.822 0.157 3.462 202 1HG GLU 29 1HG GLU 29 -12.962 1.263 1.564 203 2HG GLU 29 2HG GLU 29 -11.792 0.577 0.383 204 HE2 GLU 29 HE2 GLU 29 -14.771 -1.679 1.770 205 H SER 30 H SER 30 -8.901 -0.672 3.570 206 HA SER 30 HA SER 30 -8.317 0.542 6.087 207 1HB SER 30 1HB SER 30 -7.459 -2.230 5.119 208 2HB SER 30 2HB SER 30 -7.146 -1.528 6.748 209 HG SER 30 HG SER 30 -8.966 -2.888 6.657 210 H CYS 31 H CYS 31 -6.648 1.475 6.785 211 HA CYS 31 HA CYS 31 -4.106 1.145 5.290 212 1HB CYS 31 1HB CYS 31 -5.037 3.463 5.317 213 2HB CYS 31 2HB CYS 31 -4.840 3.481 7.116 214 H HIS 32 H HIS 32 -2.564 0.020 6.324 215 HA HIS 32 HA HIS 32 -3.253 -1.013 8.957 216 1HB HIS 32 1HB HIS 32 -1.099 -1.869 6.932 217 2HB HIS 32 2HB HIS 32 -1.513 -2.745 8.445 218 HD1 HIS 32 HD1 HIS 32 -2.661 -1.976 5.008 219 HD2 HIS 32 HD2 HIS 32 -3.907 -4.330 8.234 220 HE1 HIS 32 HE1 HIS 32 -4.523 -3.405 4.164 221 HE2 HIS 32 HE2 HIS 32 -5.242 -4.886 6.124 222 H SER 33 H SER 33 -1.470 -1.285 10.560 223 HA SER 33 HA SER 33 -0.019 1.227 10.757 224 1HB SER 33 1HB SER 33 -1.377 0.066 12.627 225 2HB SER 33 2HB SER 33 0.004 -1.073 12.797 226 HG SER 33 HG SER 33 -0.104 0.905 14.157 227 H ALA 34 H ALA 34 0.709 -1.515 9.145 228 HA ALA 34 HA ALA 34 3.363 -2.005 9.763 229 1HB ALA 34 1HB ALA 34 3.455 -3.104 7.525 230 2HB ALA 34 2HB ALA 34 1.889 -2.335 7.077 231 3HB ALA 34 3HB ALA 34 1.954 -3.538 8.408 232 H CYS 35 H CYS 35 1.932 0.366 7.476 233 HA CYS 35 HA CYS 35 4.511 1.723 7.306 234 1HB CYS 35 1HB CYS 35 3.557 3.087 5.608 235 2HB CYS 35 2HB CYS 35 3.104 1.364 5.321 236 H ASP 36 H ASP 36 4.903 3.788 8.323 237 HA ASP 36 HA ASP 36 3.480 3.887 10.792 238 1HB ASP 36 1HB ASP 36 5.992 4.295 10.519 239 2HB ASP 36 2HB ASP 36 5.591 5.901 9.817 240 HD2 ASP 36 HD2 ASP 36 5.846 6.995 13.050 241 H LYS 37 H LYS 37 3.300 5.976 7.909 242 HA LYS 37 HA LYS 37 1.364 7.643 9.334 243 1HB LYS 37 1HB LYS 37 3.560 8.770 8.568 244 2HB LYS 37 2HB LYS 37 2.986 8.524 6.912 245 1HG LYS 37 1HG LYS 37 2.289 10.744 7.478 246 2HG LYS 37 2HG LYS 37 0.807 9.750 7.636 247 1HD LYS 37 1HD LYS 37 1.356 9.557 10.176 248 2HD LYS 37 2HD LYS 37 2.653 10.757 9.891 249 1HE LYS 37 1HE LYS 37 0.898 12.413 9.106 250 2HE LYS 37 2HE LYS 37 -0.385 11.171 9.417 251 1HZ LYS 37 1HZ LYS 37 -0.125 12.693 11.249 252 2HZ LYS 37 2HZ LYS 37 1.509 12.272 11.426 253 3HZ LYS 37 3HZ LYS 37 0.305 11.117 11.713 254 H CYS 38 H CYS 38 -0.501 6.592 8.942 255 HA CYS 38 HA CYS 38 -1.452 6.177 6.234 256 1HB CYS 38 1HB CYS 38 -2.403 5.840 9.114 257 2HB CYS 38 2HB CYS 38 -3.591 5.679 7.763 258 H VAL 39 H VAL 39 -2.228 7.921 5.041 259 HA VAL 39 HA VAL 39 -3.777 9.961 6.504 260 HB VAL 39 HB VAL 39 -2.210 9.906 3.895 261 1HG1 VAL 39 1HG1 VAL 39 -3.822 12.170 5.251 262 2HG1 VAL 39 2HG1 VAL 39 -4.143 11.425 3.622 263 3HG1 VAL 39 3HG1 VAL 39 -2.659 12.400 3.892 264 1HG2 VAL 39 1HG2 VAL 39 -1.731 11.300 6.608 265 2HG2 VAL 39 2HG2 VAL 39 -0.834 11.697 5.095 266 3HG2 VAL 39 3HG2 VAL 39 -0.686 10.045 5.811 267 H CYS 40 H CYS 40 -5.908 10.409 5.430 268 HA CYS 40 HA CYS 40 -6.632 8.618 3.238 269 1HB CYS 40 1HB CYS 40 -8.124 9.051 5.858 270 2HB CYS 40 2HB CYS 40 -8.814 8.225 4.455 271 H ALA 41 H ALA 41 -7.825 9.516 1.812 272 HA ALA 41 HA ALA 41 -9.112 12.099 2.152 273 1HB ALA 41 1HB ALA 41 -9.238 10.126 -0.168 274 2HB ALA 41 2HB ALA 41 -8.188 11.598 -0.058 275 3HB ALA 41 3HB ALA 41 -9.982 11.780 -0.097 276 H TYR 42 H TYR 42 -11.133 12.403 2.759 277 HA TYR 42 HA TYR 42 -12.489 10.233 3.972 278 1HB TYR 42 1HB TYR 42 -13.981 12.103 4.855 279 2HB TYR 42 2HB TYR 42 -12.213 12.228 5.178 280 HD1 TYR 42 HD1 TYR 42 -14.935 13.471 2.869 281 HD2 TYR 42 HD2 TYR 42 -10.948 14.139 4.383 282 HE1 TYR 42 HE1 TYR 42 -14.854 15.636 1.722 283 HE2 TYR 42 HE2 TYR 42 -10.918 16.335 3.280 284 HH TYR 42 HH TYR 42 -13.452 17.307 1.002 285 H SER 43 H SER 43 -12.425 10.182 1.185 286 HA SER 43 HA SER 43 -14.759 10.716 -0.193 287 1HB SER 43 1HB SER 43 -12.939 8.319 -0.779 288 2HB SER 43 2HB SER 43 -13.849 9.386 -1.957 289 HG SER 43 HG SER 43 -11.778 10.058 -2.017 290 H ASN 44 H ASN 44 -15.727 8.572 -1.457 291 HA ASN 44 HA ASN 44 -16.503 6.597 0.540 292 1HB ASN 44 1HB ASN 44 -18.056 8.572 0.536 293 2HB ASN 44 2HB ASN 44 -18.453 8.219 -1.156 294 1HD2 ASN 44 1HD2 ASN 44 -18.331 6.574 2.141 295 2HD2 ASN 44 2HD2 ASN 44 -19.719 5.618 1.869 296 HA PRO 45 HA PRO 45 -16.050 4.652 0.694 297 1HB PRO 45 1HB PRO 45 -14.324 2.593 0.110 298 2HB PRO 45 2HB PRO 45 -16.070 2.432 -0.120 299 1HG PRO 45 1HG PRO 45 -14.007 3.221 -2.253 300 2HG PRO 45 2HG PRO 45 -15.241 1.911 -2.376 301 1HD PRO 45 1HD PRO 45 -15.645 4.464 -3.390 302 2HD PRO 45 2HD PRO 45 -17.027 3.530 -2.657 303 HA PRO 46 HA PRO 46 -12.651 7.282 1.033 304 1HB PRO 46 1HB PRO 46 -11.361 6.608 3.371 305 2HB PRO 46 2HB PRO 46 -13.066 7.212 3.350 306 1HG PRO 46 1HG PRO 46 -12.139 4.294 3.440 307 2HG PRO 46 2HG PRO 46 -13.348 5.160 4.500 308 1HD PRO 46 1HD PRO 46 -14.078 3.631 2.286 309 2HD PRO 46 2HD PRO 46 -14.997 5.187 2.789 310 H GLN 47 H GLN 47 -10.209 7.538 1.063 311 HA GLN 47 HA GLN 47 -8.944 5.140 -0.125 312 1HB GLN 47 1HB GLN 47 -8.677 8.056 -1.063 313 2HB GLN 47 2HB GLN 47 -7.829 6.630 -1.760 314 1HG GLN 47 1HG GLN 47 -10.897 7.006 -1.822 315 2HG GLN 47 2HG GLN 47 -9.793 7.606 -3.102 316 1HE2 GLN 47 1HE2 GLN 47 -10.977 4.658 -1.473 317 2HE2 GLN 47 2HE2 GLN 47 -10.630 3.588 -2.812 318 H CYS 48 H CYS 48 -6.820 4.920 0.543 319 HA CYS 48 HA CYS 48 -5.804 6.887 2.440 320 1HB CYS 48 1HB CYS 48 -6.504 3.949 3.044 321 2HB CYS 48 2HB CYS 48 -5.559 5.043 4.130 322 H GLN 49 H GLN 49 -3.785 6.901 2.631 323 HA GLN 49 HA GLN 49 -2.198 5.228 0.849 324 1HB GLN 49 1HB GLN 49 -2.153 8.190 1.704 325 2HB GLN 49 2HB GLN 49 -0.750 7.415 0.863 326 1HG GLN 49 1HG GLN 49 -1.603 8.331 -0.896 327 2HG GLN 49 2HG GLN 49 -2.555 6.807 -0.987 328 1HE2 GLN 49 1HE2 GLN 49 -2.967 9.541 -2.014 329 2HE2 GLN 49 2HE2 GLN 49 -4.421 10.218 -1.288 330 H CYS 50 H CYS 50 -0.383 4.405 1.566 331 HA CYS 50 HA CYS 50 0.669 5.109 4.224 332 1HB CYS 50 1HB CYS 50 1.709 3.287 1.956 333 2HB CYS 50 2HB CYS 50 2.659 3.631 3.412 334 H TYR 51 H TYR 51 0.985 7.282 4.018 335 HA TYR 51 HA TYR 51 2.601 8.602 2.101 336 1HB TYR 51 1HB TYR 51 1.642 9.178 4.925 337 2HB TYR 51 2HB TYR 51 3.129 10.027 4.419 338 HD1 TYR 51 HD1 TYR 51 -0.172 9.120 2.685 339 HD2 TYR 51 HD2 TYR 51 2.626 12.274 3.700 340 HE1 TYR 51 HE1 TYR 51 -1.491 10.715 1.452 341 HE2 TYR 51 HE2 TYR 51 1.279 13.831 2.540 342 HH TYR 51 HH TYR 51 -0.828 14.213 1.674 343 H ASP 52 H ASP 52 3.334 6.827 4.971 344 HA ASP 52 HA ASP 52 6.166 7.427 4.904 345 1HB ASP 52 1HB ASP 52 4.923 7.043 7.061 346 2HB ASP 52 2HB ASP 52 4.664 5.318 6.553 347 HD2 ASP 52 HD2 ASP 52 7.583 4.556 8.117 348 H THR 53 H THR 53 7.887 6.129 4.396 349 HA THR 53 HA THR 53 7.440 4.399 2.203 350 HB THR 53 HB THR 53 10.039 4.328 2.252 351 HG1 THR 53 HG1 THR 53 10.685 5.063 4.166 352 1HG2 THR 53 1HG2 THR 53 8.728 5.810 0.743 353 2HG2 THR 53 2HG2 THR 53 10.110 6.721 1.439 354 3HG2 THR 53 3HG2 THR 53 8.453 6.993 2.070 355 H HIS 54 H HIS 54 8.610 2.311 1.854 356 HA HIS 54 HA HIS 54 9.061 0.788 4.251 357 1HB HIS 54 1HB HIS 54 6.498 0.677 3.056 358 2HB HIS 54 2HB HIS 54 7.364 -0.644 2.192 359 HD1 HIS 54 HD1 HIS 54 7.868 -2.693 3.385 360 HD2 HIS 54 HD2 HIS 54 5.829 0.072 5.771 361 HE1 HIS 54 HE1 HIS 54 7.073 -3.936 5.406 362 HE2 HIS 54 HE2 HIS 54 5.794 -2.249 6.830 363 H LYS 55 H LYS 55 9.897 -1.442 3.486 364 HA LYS 55 HA LYS 55 11.179 -1.295 0.836 365 1HB LYS 55 1HB LYS 55 13.149 -2.426 1.835 366 2HB LYS 55 2HB LYS 55 12.858 -0.803 2.537 367 1HG LYS 55 1HG LYS 55 11.899 -1.759 4.576 368 2HG LYS 55 2HG LYS 55 12.002 -3.427 3.900 369 1HD LYS 55 1HD LYS 55 14.494 -3.194 3.743 370 2HD LYS 55 2HD LYS 55 14.400 -1.553 4.461 371 1HE LYS 55 1HE LYS 55 13.470 -4.173 5.832 372 2HE LYS 55 2HE LYS 55 15.036 -3.322 6.142 373 1HZ LYS 55 1HZ LYS 55 13.369 -2.763 7.776 374 2HZ LYS 55 2HZ LYS 55 12.312 -2.196 6.573 375 3HZ LYS 55 3HZ LYS 55 13.777 -1.394 6.854 376 H PHE 56 H PHE 56 8.706 -2.438 0.942 377 HA PHE 56 HA PHE 56 9.287 -5.203 0.529 378 1HB PHE 56 1HB PHE 56 8.691 -4.696 3.174 379 2HB PHE 56 2HB PHE 56 7.011 -4.789 2.538 380 HD1 PHE 56 HD1 PHE 56 10.329 -6.547 2.673 381 HD2 PHE 56 HD2 PHE 56 6.065 -6.985 2.222 382 HE1 PHE 56 HE1 PHE 56 10.557 -8.990 2.852 383 HE2 PHE 56 HE2 PHE 56 6.293 -9.418 2.408 384 HZ PHE 56 HZ PHE 56 8.538 -10.449 2.722 385 H CYS 57 H CYS 57 7.280 -6.328 -0.293 386 HA CYS 57 HA CYS 57 5.178 -4.531 -1.224 387 1HB CYS 57 1HB CYS 57 6.851 -4.821 -3.101 388 2HB CYS 57 2HB CYS 57 6.718 -6.591 -2.917 389 H TYR 58 H TYR 58 3.221 -5.443 -0.811 390 HA TYR 58 HA TYR 58 3.201 -8.277 0.073 391 1HB TYR 58 1HB TYR 58 1.256 -5.975 0.558 392 2HB TYR 58 2HB TYR 58 0.841 -7.702 0.834 393 HD1 TYR 58 HD1 TYR 58 3.043 -4.879 2.002 394 HD2 TYR 58 HD2 TYR 58 1.888 -8.995 2.639 395 HE1 TYR 58 HE1 TYR 58 4.105 -4.846 4.170 396 HE2 TYR 58 HE2 TYR 58 2.953 -8.951 4.817 397 HH TYR 58 HH TYR 58 4.292 -7.767 6.259 398 H LYS 59 H LYS 59 1.800 -9.677 -0.733 399 HA LYS 59 HA LYS 59 1.240 -9.790 -3.412 400 1HB LYS 59 1HB LYS 59 -0.187 -11.370 -1.237 401 2HB LYS 59 2HB LYS 59 0.044 -11.832 -2.957 402 1HG LYS 59 1HG LYS 59 1.867 -13.025 -2.240 403 2HG LYS 59 2HG LYS 59 2.700 -11.468 -2.043 404 1HD LYS 59 1HD LYS 59 1.221 -11.626 0.353 405 2HD LYS 59 2HD LYS 59 1.500 -13.350 0.004 406 1HE LYS 59 1HE LYS 59 3.932 -13.075 0.044 407 2HE LYS 59 2HE LYS 59 3.785 -11.271 0.066 408 1HZ LYS 59 1HZ LYS 59 4.248 -12.094 2.225 409 2HZ LYS 59 2HZ LYS 59 2.904 -13.129 2.201 410 3HZ LYS 59 3HZ LYS 59 2.677 -11.448 2.196 411 H ALA 60 H ALA 60 -0.853 -10.133 -4.523 412 HA ALA 60 HA ALA 60 -2.572 -7.921 -3.932 413 1HB ALA 60 1HB ALA 60 -2.662 -10.105 -6.058 414 2HB ALA 60 2HB ALA 60 -1.868 -8.498 -6.237 415 3HB ALA 60 3HB ALA 60 -3.665 -8.593 -6.060 416 H CYS 61 H CYS 61 -4.485 -7.871 -3.034 417 HA CYS 61 HA CYS 61 -6.123 -10.254 -2.836 418 1HB CYS 61 1HB CYS 61 -5.970 -8.103 -0.659 419 2HB CYS 61 2HB CYS 61 -6.957 -9.599 -0.607 420 H HIS 62 H HIS 62 -7.842 -9.688 -4.144 421 HA HIS 62 HA HIS 62 -7.559 -7.147 -5.380 422 1HB HIS 62 1HB HIS 62 -9.736 -9.226 -5.843 423 2HB HIS 62 2HB HIS 62 -9.271 -7.888 -6.946 424 HD1 HIS 62 HD1 HIS 62 -6.440 -8.031 -7.384 425 HD2 HIS 62 HD2 HIS 62 -8.547 -11.584 -6.654 426 HE1 HIS 62 HE1 HIS 62 -5.061 -9.906 -8.314 427 HE2 HIS 62 HE2 HIS 62 -6.337 -12.057 -7.813 428 H ASN 63 H ASN 63 -8.358 -5.236 -4.586 429 HA ASN 63 HA ASN 63 -10.289 -5.188 -2.607 430 1HB ASN 63 1HB ASN 63 -10.139 -2.744 -2.649 431 2HB ASN 63 2HB ASN 63 -8.563 -3.544 -2.543 432 1HD2 ASN 63 1HD2 ASN 63 -7.054 -3.269 -4.516 433 2HD2 ASN 63 2HD2 ASN 63 -7.529 -2.237 -5.800 434 H SER 64 H SER 64 -10.593 -3.526 -5.621 435 HA SER 64 HA SER 64 -13.549 -3.856 -5.555 436 1HB SER 64 1HB SER 64 -11.882 -1.648 -6.907 437 2HB SER 64 2HB SER 64 -13.688 -1.716 -6.801 438 HG SER 64 HG SER 64 -11.722 -1.174 -4.855 439 H GLU 65 H GLU 65 -14.662 -4.217 -7.542 440 HA GLU 65 HA GLU 65 -13.578 -5.759 -9.507 441 1HB GLU 65 1HB GLU 65 -16.114 -4.091 -9.776 442 2HB GLU 65 2HB GLU 65 -15.626 -5.557 -10.702 443 1HG GLU 65 1HG GLU 65 -17.057 -6.604 -9.266 444 2HG GLU 65 2HG GLU 65 -15.624 -6.700 -8.209 445 HE2 GLU 65 HE2 GLU 65 -16.952 -3.891 -6.288 446 H ILE 66 H ILE 66 -11.729 -4.440 -9.812 447 HA ILE 66 HA ILE 66 -11.740 -3.238 -12.425 448 HB ILE 66 HB ILE 66 -12.218 -1.330 -10.970 449 1HG1 ILE 66 1HG1 ILE 66 -9.377 -1.323 -12.182 450 2HG1 ILE 66 2HG1 ILE 66 -10.910 -1.210 -13.097 451 1HG2 ILE 66 1HG2 ILE 66 -10.731 -0.429 -9.329 452 2HG2 ILE 66 2HG2 ILE 66 -9.469 -1.663 -9.635 453 3HG2 ILE 66 3HG2 ILE 66 -11.054 -2.127 -8.873 454 1HD1 ILE 66 1HD1 ILE 66 -9.838 0.844 -11.043 455 2HD1 ILE 66 2HD1 ILE 66 -11.451 0.949 -11.828 456 3HD1 ILE 66 3HD1 ILE 66 -9.953 1.054 -12.820 457 H GLU 67 H GLU 67 -9.796 -4.086 -9.478 458 HA GLU 67 HA GLU 67 -7.983 -5.589 -11.152 459 1HB GLU 67 1HB GLU 67 -7.212 -3.351 -9.191 460 2HB GLU 67 2HB GLU 67 -6.062 -4.647 -9.672 461 1HG GLU 67 1HG GLU 67 -6.010 -3.932 -11.996 462 2HG GLU 67 2HG GLU 67 -7.367 -2.783 -11.767 463 HE2 GLU 67 HE2 GLU 67 -7.067 -1.075 -10.576 Start of MODEL 2 1 1H GLY 1 1H GLY 1 -7.901 -21.802 5.304 2 2H GLY 1 2H GLY 1 -8.034 -22.376 6.897 3 3H GLY 1 3H GLY 1 -6.527 -21.871 6.298 4 1HA GLY 1 1HA GLY 1 -8.875 -20.147 6.630 5 2HA GLY 1 2HA GLY 1 -7.482 -20.276 7.783 6 H ASP 2 H ASP 2 -8.169 -17.813 6.839 7 HA ASP 2 HA ASP 2 -5.755 -16.995 5.443 8 1HB ASP 2 1HB ASP 2 -8.581 -16.470 4.246 9 2HB ASP 2 2HB ASP 2 -7.083 -15.623 3.717 10 HD2 ASP 2 HD2 ASP 2 -7.932 -19.242 2.345 11 H ASP 3 H ASP 3 -6.213 -16.598 7.958 12 HA ASP 3 HA ASP 3 -7.153 -13.853 8.264 13 1HB ASP 3 1HB ASP 3 -7.369 -14.328 10.675 14 2HB ASP 3 2HB ASP 3 -8.401 -15.399 9.676 15 HD2 ASP 3 HD2 ASP 3 -6.652 -18.314 10.420 16 H VAL 4 H VAL 4 -5.369 -12.856 7.441 17 HA VAL 4 HA VAL 4 -2.837 -13.184 8.908 18 HB VAL 4 HB VAL 4 -3.185 -12.596 5.930 19 1HG1 VAL 4 1HG1 VAL 4 -1.067 -11.708 6.813 20 2HG1 VAL 4 2HG1 VAL 4 -0.703 -13.193 5.894 21 3HG1 VAL 4 3HG1 VAL 4 -0.721 -13.227 7.702 22 1HG2 VAL 4 1HG2 VAL 4 -3.932 -14.940 6.325 23 2HG2 VAL 4 2HG2 VAL 4 -2.485 -15.265 7.342 24 3HG2 VAL 4 3HG2 VAL 4 -2.308 -14.949 5.579 25 H LYS 5 H LYS 5 -1.978 -11.264 9.664 26 HA LYS 5 HA LYS 5 -3.457 -8.814 9.063 27 1HB LYS 5 1HB LYS 5 -1.605 -9.631 11.351 28 2HB LYS 5 2HB LYS 5 -2.326 -8.009 11.167 29 1HG LYS 5 1HG LYS 5 -4.642 -9.116 11.153 30 2HG LYS 5 2HG LYS 5 -3.845 -10.670 11.533 31 1HD LYS 5 1HD LYS 5 -4.734 -9.641 13.582 32 2HD LYS 5 2HD LYS 5 -2.941 -9.719 13.661 33 1HE LYS 5 1HE LYS 5 -2.770 -7.283 13.121 34 2HE LYS 5 2HE LYS 5 -4.560 -7.188 12.895 35 1HZ LYS 5 1HZ LYS 5 -3.155 -7.954 15.393 36 2HZ LYS 5 2HZ LYS 5 -4.834 -7.794 15.181 37 3HZ LYS 5 3HZ LYS 5 -3.830 -6.429 15.048 38 H SER 6 H SER 6 -1.294 -10.045 7.479 39 HA SER 6 HA SER 6 0.994 -8.415 7.412 40 1HB SER 6 1HB SER 6 1.314 -9.217 5.058 41 2HB SER 6 2HB SER 6 0.889 -10.561 6.181 42 HG SER 6 HG SER 6 -0.687 -9.294 4.200 43 H ALA 7 H ALA 7 1.611 -6.676 6.010 44 HA ALA 7 HA ALA 7 -0.490 -4.965 5.032 45 1HB ALA 7 1HB ALA 7 1.384 -3.680 3.975 46 2HB ALA 7 2HB ALA 7 2.518 -5.016 4.400 47 3HB ALA 7 3HB ALA 7 1.746 -4.042 5.698 48 H CYS 8 H CYS 8 -1.135 -4.637 2.898 49 HA CYS 8 HA CYS 8 -0.358 -6.657 0.914 50 1HB CYS 8 1HB CYS 8 -2.594 -7.220 0.316 51 2HB CYS 8 2HB CYS 8 -2.433 -7.465 2.079 52 H CYS 9 H CYS 9 -0.825 -6.065 -1.332 53 HA CYS 9 HA CYS 9 -1.398 -3.241 -1.750 54 1HB CYS 9 1HB CYS 9 1.057 -3.547 -0.924 55 2HB CYS 9 2HB CYS 9 1.352 -4.468 -2.416 56 H ASP 10 H ASP 10 -2.455 -3.122 -3.768 57 HA ASP 10 HA ASP 10 -2.227 -5.468 -5.504 58 1HB ASP 10 1HB ASP 10 -3.908 -2.931 -5.617 59 2HB ASP 10 2HB ASP 10 -4.028 -4.228 -6.796 60 HD2 ASP 10 HD2 ASP 10 -6.444 -4.546 -3.928 61 H THR 11 H THR 11 -1.230 -2.001 -5.579 62 HA THR 11 HA THR 11 0.449 -2.466 -7.920 63 HB THR 11 HB THR 11 -1.918 -0.509 -7.691 64 HG1 THR 11 HG1 THR 11 -1.383 -2.569 -9.581 65 1HG2 THR 11 1HG2 THR 11 -0.072 0.677 -8.868 66 2HG2 THR 11 2HG2 THR 11 -1.333 0.213 -10.047 67 3HG2 THR 11 3HG2 THR 11 0.199 -0.738 -9.949 68 H CYS 12 H CYS 12 2.163 -1.095 -7.970 69 HA CYS 12 HA CYS 12 2.521 0.846 -5.838 70 1HB CYS 12 1HB CYS 12 4.266 -0.686 -4.834 71 2HB CYS 12 2HB CYS 12 2.611 -1.400 -4.865 72 H LEU 13 H LEU 13 4.932 1.244 -5.633 73 HA LEU 13 HA LEU 13 6.297 1.462 -8.224 74 1HB LEU 13 1HB LEU 13 4.670 3.308 -7.966 75 2HB LEU 13 2HB LEU 13 5.368 3.754 -6.389 76 HG LEU 13 HG LEU 13 6.893 3.801 -9.095 77 1HD1 LEU 13 1HD1 LEU 13 4.912 5.276 -9.214 78 2HD1 LEU 13 2HD1 LEU 13 6.409 6.267 -9.107 79 3HD1 LEU 13 3HD1 LEU 13 5.357 6.056 -7.655 80 1HD2 LEU 13 1HD2 LEU 13 8.523 3.883 -7.280 81 2HD2 LEU 13 2HD2 LEU 13 7.518 5.038 -6.338 82 3HD2 LEU 13 3HD2 LEU 13 8.321 5.561 -7.878 83 H CYS 14 H CYS 14 8.013 0.411 -7.671 84 HA CYS 14 HA CYS 14 9.456 1.025 -5.229 85 1HB CYS 14 1HB CYS 14 10.081 -1.043 -7.356 86 2HB CYS 14 2HB CYS 14 10.952 -0.824 -5.827 87 H THR 15 H THR 15 11.436 1.971 -5.027 88 HA THR 15 HA THR 15 12.084 3.724 -7.224 89 HB THR 15 HB THR 15 13.782 4.719 -5.835 90 HG1 THR 15 HG1 THR 15 13.650 4.046 -3.586 91 1HG2 THR 15 1HG2 THR 15 12.219 5.641 -4.135 92 2HG2 THR 15 2HG2 THR 15 11.113 4.230 -4.314 93 3HG2 THR 15 3HG2 THR 15 11.334 5.376 -5.679 94 H ARG 16 H ARG 16 14.030 3.997 -8.301 95 HA ARG 16 HA ARG 16 16.051 1.931 -8.141 96 1HB ARG 16 1HB ARG 16 15.650 4.432 -9.834 97 2HB ARG 16 2HB ARG 16 17.303 3.769 -9.642 98 1HG ARG 16 1HG ARG 16 14.967 2.097 -10.688 99 2HG ARG 16 2HG ARG 16 16.091 3.043 -11.719 100 1HD ARG 16 1HD ARG 16 18.054 1.788 -10.872 101 2HD ARG 16 2HD ARG 16 17.013 0.798 -9.783 102 HE ARG 16 HE ARG 16 17.295 0.589 -12.731 103 1HH1 ARG 16 1HH1 ARG 16 15.361 -0.365 -9.876 104 2HH1 ARG 16 2HH1 ARG 16 14.848 -1.866 -10.577 105 1HH2 ARG 16 1HH2 ARG 16 16.597 -1.416 -13.632 106 2HH2 ARG 16 2HH2 ARG 16 15.550 -2.463 -12.730 107 H SER 17 H SER 17 17.535 2.057 -6.499 108 HA SER 17 HA SER 17 18.796 4.385 -5.645 109 1HB SER 17 1HB SER 17 16.432 4.743 -4.561 110 2HB SER 17 2HB SER 17 16.812 3.330 -3.535 111 HG SER 17 HG SER 17 17.402 5.348 -2.557 112 H GLN 18 H GLN 18 19.380 3.592 -3.065 113 HA GLN 18 HA GLN 18 20.398 0.859 -3.074 114 1HB GLN 18 1HB GLN 18 22.132 3.374 -3.302 115 2HB GLN 18 2HB GLN 18 22.759 1.862 -2.567 116 1HG GLN 18 1HG GLN 18 22.265 0.614 -4.750 117 2HG GLN 18 2HG GLN 18 21.770 2.181 -5.476 118 1HE2 GLN 18 1HE2 GLN 18 24.576 0.749 -3.656 119 2HE2 GLN 18 2HE2 GLN 18 25.779 1.548 -4.637 120 HA PRO 19 HA PRO 19 19.480 -0.402 -1.717 121 1HB PRO 19 1HB PRO 19 17.662 -1.053 0.257 122 2HB PRO 19 2HB PRO 19 19.465 -1.194 0.525 123 1HG PRO 19 1HG PRO 19 17.655 1.166 1.302 124 2HG PRO 19 2HG PRO 19 18.786 0.231 2.374 125 1HD PRO 19 1HD PRO 19 19.522 2.593 1.109 126 2HD PRO 19 2HD PRO 19 20.714 1.226 1.333 127 HA PRO 20 HA PRO 20 15.715 1.428 -3.401 128 1HB PRO 20 1HB PRO 20 14.233 -0.758 -4.213 129 2HB PRO 20 2HB PRO 20 15.773 -0.297 -5.029 130 1HG PRO 20 1HG PRO 20 15.403 -2.353 -2.792 131 2HG PRO 20 2HG PRO 20 16.221 -2.593 -4.397 132 1HD PRO 20 1HD PRO 20 17.643 -1.988 -2.104 133 2HD PRO 20 2HD PRO 20 18.119 -1.261 -3.722 134 H THR 21 H THR 21 13.348 1.452 -3.116 135 HA THR 21 HA THR 21 12.291 0.438 -0.624 136 HB THR 21 HB THR 21 13.797 2.238 0.156 137 HG1 THR 21 HG1 THR 21 12.398 2.934 1.532 138 1HG2 THR 21 1HG2 THR 21 13.001 4.635 -0.179 139 2HG2 THR 21 2HG2 THR 21 11.952 4.067 -1.524 140 3HG2 THR 21 3HG2 THR 21 13.746 3.895 -1.627 141 H CYS 22 H CYS 22 9.983 0.966 -0.436 142 HA CYS 22 HA CYS 22 8.878 1.654 -3.088 143 1HB CYS 22 1HB CYS 22 9.842 -0.753 -3.070 144 2HB CYS 22 2HB CYS 22 8.567 -1.170 -1.902 145 H ARG 23 H ARG 23 6.585 1.371 -3.264 146 HA ARG 23 HA ARG 23 4.964 1.124 -0.939 147 1HB ARG 23 1HB ARG 23 4.147 3.580 -0.876 148 2HB ARG 23 2HB ARG 23 5.777 3.282 -0.266 149 1HG ARG 23 1HG ARG 23 6.229 5.088 -1.376 150 2HG ARG 23 2HG ARG 23 6.651 3.949 -2.660 151 1HD ARG 23 1HD ARG 23 5.400 5.848 -3.656 152 2HD ARG 23 2HD ARG 23 4.355 4.384 -3.739 153 HE ARG 23 HE ARG 23 2.859 5.369 -2.334 154 1HH1 ARG 23 1HH1 ARG 23 5.902 7.282 -1.960 155 2HH1 ARG 23 2HH1 ARG 23 5.149 8.492 -1.013 156 1HH2 ARG 23 1HH2 ARG 23 1.943 6.888 -1.064 157 2HH2 ARG 23 2HH2 ARG 23 2.797 8.280 -0.452 158 H CYS 24 H CYS 24 2.768 1.599 -1.264 159 HA CYS 24 HA CYS 24 1.843 0.744 -3.858 160 1HB CYS 24 1HB CYS 24 0.257 1.583 -1.370 161 2HB CYS 24 2HB CYS 24 -0.388 0.650 -2.758 162 H VAL 25 H VAL 25 -0.098 1.856 -4.675 163 HA VAL 25 HA VAL 25 -0.307 4.743 -4.669 164 HB VAL 25 HB VAL 25 0.343 5.012 -7.005 165 1HG1 VAL 25 1HG1 VAL 25 2.203 5.255 -5.287 166 2HG1 VAL 25 2HG1 VAL 25 2.775 4.831 -6.947 167 3HG1 VAL 25 3HG1 VAL 25 2.713 3.568 -5.671 168 1HG2 VAL 25 1HG2 VAL 25 -0.178 2.837 -8.032 169 2HG2 VAL 25 2HG2 VAL 25 0.942 1.999 -6.900 170 3HG2 VAL 25 3HG2 VAL 25 1.590 3.056 -8.203 171 H ASP 26 H ASP 26 -1.679 1.482 -5.737 172 HA ASP 26 HA ASP 26 -4.071 2.928 -6.326 173 1HB ASP 26 1HB ASP 26 -5.250 0.865 -5.845 174 2HB ASP 26 2HB ASP 26 -3.841 0.523 -6.903 175 HD2 ASP 26 HD2 ASP 26 -5.475 -0.562 -4.367 176 H VAL 27 H VAL 27 -5.596 3.796 -4.867 177 HA VAL 27 HA VAL 27 -4.829 3.823 -2.045 178 HB VAL 27 HB VAL 27 -6.453 5.326 -1.607 179 1HG1 VAL 27 1HG1 VAL 27 -5.523 6.020 -4.468 180 2HG1 VAL 27 2HG1 VAL 27 -4.492 6.159 -3.007 181 3HG1 VAL 27 3HG1 VAL 27 -5.972 7.180 -3.168 182 1HG2 VAL 27 1HG2 VAL 27 -8.457 4.380 -2.675 183 2HG2 VAL 27 2HG2 VAL 27 -7.773 4.658 -4.320 184 3HG2 VAL 27 3HG2 VAL 27 -8.243 6.050 -3.279 185 H ARG 28 H ARG 28 -6.105 2.885 -0.360 186 HA ARG 28 HA ARG 28 -8.351 1.325 -1.119 187 1HB ARG 28 1HB ARG 28 -7.519 -0.902 -0.796 188 2HB ARG 28 2HB ARG 28 -6.596 -0.105 -2.038 189 1HG ARG 28 1HG ARG 28 -4.801 -0.969 -0.993 190 2HG ARG 28 2HG ARG 28 -4.913 0.539 -0.018 191 1HD ARG 28 1HD ARG 28 -4.549 -1.695 1.291 192 2HD ARG 28 2HD ARG 28 -5.879 -0.594 1.830 193 HE ARG 28 HE ARG 28 -7.329 -2.319 1.474 194 1HH1 ARG 28 1HH1 ARG 28 -4.740 -2.761 -0.969 195 2HH1 ARG 28 2HH1 ARG 28 -5.551 -4.106 -1.707 196 1HH2 ARG 28 1HH2 ARG 28 -8.310 -4.059 0.476 197 2HH2 ARG 28 2HH2 ARG 28 -7.580 -4.845 -0.910 198 H GLU 29 H GLU 29 -8.914 -0.329 0.616 199 HA GLU 29 HA GLU 29 -9.889 1.155 2.705 200 1HB GLU 29 1HB GLU 29 -9.732 -1.747 1.905 201 2HB GLU 29 2HB GLU 29 -10.610 -1.269 3.413 202 1HG GLU 29 1HG GLU 29 -12.154 0.161 2.022 203 2HG GLU 29 2HG GLU 29 -11.246 -0.270 0.526 204 HE2 GLU 29 HE2 GLU 29 -13.850 -2.824 2.122 205 H SER 30 H SER 30 -7.731 -1.699 3.207 206 HA SER 30 HA SER 30 -7.401 -0.904 5.894 207 1HB SER 30 1HB SER 30 -5.763 -3.044 4.433 208 2HB SER 30 2HB SER 30 -5.748 -2.726 6.208 209 HG SER 30 HG SER 30 -7.142 -4.433 5.646 210 H CYS 31 H CYS 31 -6.079 0.243 6.992 211 HA CYS 31 HA CYS 31 -3.397 0.886 5.896 212 1HB CYS 31 1HB CYS 31 -5.380 2.502 7.361 213 2HB CYS 31 2HB CYS 31 -3.783 2.481 8.229 214 H HIS 32 H HIS 32 -1.598 0.757 7.540 215 HA HIS 32 HA HIS 32 -2.182 -0.905 9.851 216 1HB HIS 32 1HB HIS 32 -0.355 -1.722 7.520 217 2HB HIS 32 2HB HIS 32 -0.044 -2.340 9.185 218 HD1 HIS 32 HD1 HIS 32 -2.433 -2.523 6.375 219 HD2 HIS 32 HD2 HIS 32 -1.677 -4.514 9.982 220 HE1 HIS 32 HE1 HIS 32 -3.885 -4.552 6.399 221 HE2 HIS 32 HE2 HIS 32 -3.390 -5.774 8.599 222 H SER 33 H SER 33 -0.291 -1.041 11.306 223 HA SER 33 HA SER 33 0.953 1.469 11.607 224 1HB SER 33 1HB SER 33 1.518 -1.229 12.993 225 2HB SER 33 2HB SER 33 2.043 0.379 13.614 226 HG SER 33 HG SER 33 0.128 -0.355 14.573 227 H ALA 34 H ALA 34 1.780 -0.997 9.556 228 HA ALA 34 HA ALA 34 4.555 -1.122 9.719 229 1HB ALA 34 1HB ALA 34 3.116 -2.832 8.583 230 2HB ALA 34 2HB ALA 34 4.331 -2.195 7.436 231 3HB ALA 34 3HB ALA 34 2.629 -1.609 7.345 232 H CYS 35 H CYS 35 2.519 1.359 8.471 233 HA CYS 35 HA CYS 35 4.884 2.798 7.518 234 1HB CYS 35 1HB CYS 35 3.517 3.951 5.925 235 2HB CYS 35 2HB CYS 35 3.216 2.174 5.786 236 H ASP 36 H ASP 36 4.968 5.140 8.148 237 HA ASP 36 HA ASP 36 3.949 5.368 10.823 238 1HB ASP 36 1HB ASP 36 5.289 7.343 11.050 239 2HB ASP 36 2HB ASP 36 6.253 6.067 10.229 240 HD2 ASP 36 HD2 ASP 36 6.524 7.822 7.263 241 H LYS 37 H LYS 37 3.349 7.256 7.816 242 HA LYS 37 HA LYS 37 1.086 8.537 9.158 243 1HB LYS 37 1HB LYS 37 2.976 9.950 8.152 244 2HB LYS 37 2HB LYS 37 2.489 9.343 6.554 245 1HG LYS 37 1HG LYS 37 1.451 11.480 6.788 246 2HG LYS 37 2HG LYS 37 0.139 10.283 6.997 247 1HD LYS 37 1HD LYS 37 0.219 10.608 9.489 248 2HD LYS 37 2HD LYS 37 1.647 11.677 9.313 249 1HE LYS 37 1HE LYS 37 -0.281 13.090 9.692 250 2HE LYS 37 2HE LYS 37 0.199 13.306 7.962 251 1HZ LYS 37 1HZ LYS 37 -1.986 11.579 9.008 252 2HZ LYS 37 2HZ LYS 37 -1.550 11.734 7.373 253 3HZ LYS 37 3HZ LYS 37 -2.161 13.073 8.224 254 H CYS 38 H CYS 38 -0.676 7.075 8.872 255 HA CYS 38 HA CYS 38 -1.492 6.601 6.125 256 1HB CYS 38 1HB CYS 38 -1.936 4.997 8.030 257 2HB CYS 38 2HB CYS 38 -2.892 6.300 8.828 258 H VAL 39 H VAL 39 -2.781 8.030 4.947 259 HA VAL 39 HA VAL 39 -4.294 10.083 6.435 260 HB VAL 39 HB VAL 39 -3.213 9.795 3.602 261 1HG1 VAL 39 1HG1 VAL 39 -4.242 12.051 3.195 262 2HG1 VAL 39 2HG1 VAL 39 -5.118 11.906 4.775 263 3HG1 VAL 39 3HG1 VAL 39 -5.476 10.752 3.411 264 1HG2 VAL 39 1HG2 VAL 39 -2.784 11.918 5.800 265 2HG2 VAL 39 2HG2 VAL 39 -2.074 11.965 4.146 266 3HG2 VAL 39 3HG2 VAL 39 -1.578 10.660 5.296 267 H CYS 40 H CYS 40 -6.599 9.600 6.303 268 HA CYS 40 HA CYS 40 -7.405 7.675 4.280 269 1HB CYS 40 1HB CYS 40 -6.532 6.648 6.451 270 2HB CYS 40 2HB CYS 40 -7.986 7.305 7.257 271 H ALA 41 H ALA 41 -8.426 9.283 3.310 272 HA ALA 41 HA ALA 41 -10.354 10.928 4.644 273 1HB ALA 41 1HB ALA 41 -10.843 11.897 2.490 274 2HB ALA 41 2HB ALA 41 -9.851 10.625 1.663 275 3HB ALA 41 3HB ALA 41 -9.074 11.823 2.766 276 H TYR 42 H TYR 42 -12.452 10.868 4.691 277 HA TYR 42 HA TYR 42 -13.515 8.284 4.854 278 1HB TYR 42 1HB TYR 42 -15.360 9.566 6.126 279 2HB TYR 42 2HB TYR 42 -13.669 9.818 6.682 280 HD1 TYR 42 HD1 TYR 42 -16.432 11.366 4.681 281 HD2 TYR 42 HD2 TYR 42 -12.577 12.011 6.525 282 HE1 TYR 42 HE1 TYR 42 -16.583 13.754 4.178 283 HE2 TYR 42 HE2 TYR 42 -12.720 14.393 5.959 284 HH TYR 42 HH TYR 42 -15.491 15.697 4.080 285 H SER 43 H SER 43 -13.295 9.576 2.242 286 HA SER 43 HA SER 43 -15.747 10.028 0.963 287 1HB SER 43 1HB SER 43 -13.190 8.858 -0.265 288 2HB SER 43 2HB SER 43 -14.527 9.724 -1.150 289 HG SER 43 HG SER 43 -12.961 11.147 -0.853 290 H ASN 44 H ASN 44 -15.997 8.547 -1.212 291 HA ASN 44 HA ASN 44 -16.535 5.783 -0.405 292 1HB ASN 44 1HB ASN 44 -18.369 7.389 0.158 293 2HB ASN 44 2HB ASN 44 -18.420 7.962 -1.497 294 1HD2 ASN 44 1HD2 ASN 44 -19.126 6.221 -3.203 295 2HD2 ASN 44 2HD2 ASN 44 -20.398 5.199 -2.662 296 HA PRO 45 HA PRO 45 -15.417 4.202 -1.006 297 1HB PRO 45 1HB PRO 45 -13.256 3.005 -2.230 298 2HB PRO 45 2HB PRO 45 -14.915 2.625 -2.723 299 1HG PRO 45 1HG PRO 45 -13.057 4.708 -4.006 300 2HG PRO 45 2HG PRO 45 -13.915 3.357 -4.842 301 1HD PRO 45 1HD PRO 45 -14.996 5.901 -4.746 302 2HD PRO 45 2HD PRO 45 -16.054 4.432 -4.574 303 HA PRO 46 HA PRO 46 -12.666 6.893 0.884 304 1HB PRO 46 1HB PRO 46 -11.011 5.423 2.542 305 2HB PRO 46 2HB PRO 46 -12.794 5.504 2.781 306 1HG PRO 46 1HG PRO 46 -11.251 3.341 1.247 307 2HG PRO 46 2HG PRO 46 -12.440 3.138 2.624 308 1HD PRO 46 1HD PRO 46 -13.199 2.910 -0.019 309 2HD PRO 46 2HD PRO 46 -14.293 3.808 1.223 310 H GLN 47 H GLN 47 -10.545 7.875 1.087 311 HA GLN 47 HA GLN 47 -8.724 6.941 -1.044 312 1HB GLN 47 1HB GLN 47 -9.275 9.831 -0.183 313 2HB GLN 47 2HB GLN 47 -8.118 9.291 -1.433 314 1HG GLN 47 1HG GLN 47 -11.181 8.787 -1.563 315 2HG GLN 47 2HG GLN 47 -10.374 10.213 -2.291 316 1HE2 GLN 47 1HE2 GLN 47 -8.551 9.688 -3.874 317 2HE2 GLN 47 2HE2 GLN 47 -8.765 8.333 -4.933 318 H CYS 48 H CYS 48 -7.227 5.889 0.072 319 HA CYS 48 HA CYS 48 -6.277 6.939 2.608 320 1HB CYS 48 1HB CYS 48 -8.520 5.821 2.886 321 2HB CYS 48 2HB CYS 48 -7.880 4.374 2.133 322 H GLN 49 H GLN 49 -4.320 6.469 2.972 323 HA GLN 49 HA GLN 49 -2.837 4.570 1.338 324 1HB GLN 49 1HB GLN 49 -2.970 7.619 1.283 325 2HB GLN 49 2HB GLN 49 -1.416 6.847 0.788 326 1HG GLN 49 1HG GLN 49 -2.284 5.923 -1.211 327 2HG GLN 49 2HG GLN 49 -3.985 6.061 -0.674 328 1HE2 GLN 49 1HE2 GLN 49 -4.735 8.343 -0.164 329 2HE2 GLN 49 2HE2 GLN 49 -4.201 9.640 -1.191 330 H CYS 50 H CYS 50 -0.943 4.072 2.195 331 HA CYS 50 HA CYS 50 0.163 5.459 4.516 332 1HB CYS 50 1HB CYS 50 1.273 3.326 2.591 333 2HB CYS 50 2HB CYS 50 2.266 4.055 3.860 334 H TYR 51 H TYR 51 0.435 7.512 3.996 335 HA TYR 51 HA TYR 51 1.867 8.701 1.894 336 1HB TYR 51 1HB TYR 51 0.743 9.575 4.560 337 2HB TYR 51 2HB TYR 51 2.142 10.509 4.005 338 HD1 TYR 51 HD1 TYR 51 1.790 12.284 2.418 339 HD2 TYR 51 HD2 TYR 51 -1.139 9.103 2.643 340 HE1 TYR 51 HE1 TYR 51 0.466 13.388 0.782 341 HE2 TYR 51 HE2 TYR 51 -2.498 10.272 1.015 342 HH TYR 51 HH TYR 51 -1.351 13.337 -0.534 343 H ASP 52 H ASP 52 3.376 6.627 2.240 344 HA ASP 52 HA ASP 52 5.939 7.626 3.313 345 1HB ASP 52 1HB ASP 52 4.463 6.602 5.186 346 2HB ASP 52 2HB ASP 52 4.403 5.095 4.218 347 HD2 ASP 52 HD2 ASP 52 6.903 4.363 6.529 348 H THR 53 H THR 53 7.751 6.467 2.647 349 HA THR 53 HA THR 53 7.363 4.275 0.733 350 HB THR 53 HB THR 53 9.680 6.284 0.723 351 HG1 THR 53 HG1 THR 53 8.728 7.036 -1.155 352 1HG2 THR 53 1HG2 THR 53 10.076 3.978 -0.272 353 2HG2 THR 53 2HG2 THR 53 10.055 5.258 -1.534 354 3HG2 THR 53 3HG2 THR 53 8.625 4.179 -1.311 355 H HIS 54 H HIS 54 7.987 2.384 1.956 356 HA HIS 54 HA HIS 54 10.631 2.516 2.968 357 1HB HIS 54 1HB HIS 54 9.021 3.295 4.931 358 2HB HIS 54 2HB HIS 54 8.810 1.534 5.190 359 HD1 HIS 54 HD1 HIS 54 10.804 4.410 5.881 360 HD2 HIS 54 HD2 HIS 54 11.794 0.373 5.385 361 HE1 HIS 54 HE1 HIS 54 13.100 4.116 6.821 362 HE2 HIS 54 HE2 HIS 54 13.691 1.641 6.514 363 H LYS 55 H LYS 55 7.856 0.242 3.383 364 HA LYS 55 HA LYS 55 9.642 -1.955 3.234 365 1HB LYS 55 1HB LYS 55 6.665 -1.510 3.582 366 2HB LYS 55 2HB LYS 55 7.163 -3.130 3.065 367 1HG LYS 55 1HG LYS 55 6.857 -3.172 5.401 368 2HG LYS 55 2HG LYS 55 8.589 -3.446 5.038 369 1HD LYS 55 1HD LYS 55 9.114 -1.093 5.675 370 2HD LYS 55 2HD LYS 55 7.378 -0.768 6.017 371 1HE LYS 55 1HE LYS 55 9.115 -2.882 7.474 372 2HE LYS 55 2HE LYS 55 8.777 -1.214 8.087 373 1HZ LYS 55 1HZ LYS 55 6.755 -3.324 7.526 374 2HZ LYS 55 2HZ LYS 55 6.422 -1.744 8.053 375 3HZ LYS 55 3HZ LYS 55 7.290 -2.809 9.055 376 H PHE 56 H PHE 56 8.746 -3.909 1.804 377 HA PHE 56 HA PHE 56 9.161 -3.086 -0.923 378 1HB PHE 56 1HB PHE 56 9.344 -5.537 -1.363 379 2HB PHE 56 2HB PHE 56 10.460 -4.961 -0.114 380 HD1 PHE 56 HD1 PHE 56 7.539 -7.058 -0.845 381 HD2 PHE 56 HD2 PHE 56 10.045 -5.506 2.307 382 HE1 PHE 56 HE1 PHE 56 6.784 -8.850 0.649 383 HE2 PHE 56 HE2 PHE 56 9.275 -7.291 3.797 384 HZ PHE 56 HZ PHE 56 7.654 -8.988 2.974 385 H CYS 57 H CYS 57 7.709 -4.563 -2.633 386 HA CYS 57 HA CYS 57 4.997 -3.639 -2.097 387 1HB CYS 57 1HB CYS 57 6.109 -3.137 -4.256 388 2HB CYS 57 2HB CYS 57 6.181 -4.884 -4.623 389 H TYR 58 H TYR 58 3.740 -4.884 -0.964 390 HA TYR 58 HA TYR 58 4.120 -7.723 -0.708 391 1HB TYR 58 1HB TYR 58 2.022 -5.749 0.366 392 2HB TYR 58 2HB TYR 58 1.869 -7.498 0.657 393 HD1 TYR 58 HD1 TYR 58 3.698 -4.446 1.674 394 HD2 TYR 58 HD2 TYR 58 3.679 -8.772 1.870 395 HE1 TYR 58 HE1 TYR 58 5.255 -4.385 3.514 396 HE2 TYR 58 HE2 TYR 58 5.176 -8.685 3.752 397 HH TYR 58 HH TYR 58 6.545 -7.372 5.035 398 H LYS 59 H LYS 59 2.370 -9.252 -0.861 399 HA LYS 59 HA LYS 59 1.354 -9.667 -3.365 400 1HB LYS 59 1HB LYS 59 0.553 -10.800 -0.666 401 2HB LYS 59 2HB LYS 59 -0.065 -11.438 -2.226 402 1HG LYS 59 1HG LYS 59 2.169 -12.119 -2.959 403 2HG LYS 59 2HG LYS 59 2.966 -11.230 -1.641 404 1HD LYS 59 1HD LYS 59 1.763 -12.729 0.041 405 2HD LYS 59 2HD LYS 59 1.264 -13.762 -1.347 406 1HE LYS 59 1HE LYS 59 3.692 -14.090 -1.959 407 2HE LYS 59 2HE LYS 59 4.177 -12.973 -0.617 408 1HZ LYS 59 1HZ LYS 59 4.370 -15.246 0.038 409 2HZ LYS 59 2HZ LYS 59 2.737 -15.557 -0.318 410 3HZ LYS 59 3HZ LYS 59 3.150 -14.488 0.938 411 H ALA 60 H ALA 60 -0.769 -9.853 -4.224 412 HA ALA 60 HA ALA 60 -2.292 -7.550 -3.767 413 1HB ALA 60 1HB ALA 60 -2.037 -8.792 -5.963 414 2HB ALA 60 2HB ALA 60 -3.751 -8.398 -5.553 415 3HB ALA 60 3HB ALA 60 -3.115 -10.077 -5.297 416 H CYS 61 H CYS 61 -4.447 -7.311 -3.245 417 HA CYS 61 HA CYS 61 -5.015 -8.892 -0.818 418 1HB CYS 61 1HB CYS 61 -4.167 -6.383 -1.025 419 2HB CYS 61 2HB CYS 61 -5.878 -5.997 -1.295 420 H HIS 62 H HIS 62 -6.199 -10.047 -2.899 421 HA HIS 62 HA HIS 62 -8.942 -8.975 -3.128 422 1HB HIS 62 1HB HIS 62 -7.674 -11.306 -4.613 423 2HB HIS 62 2HB HIS 62 -9.295 -10.590 -4.872 424 HD1 HIS 62 HD1 HIS 62 -8.323 -10.342 -7.309 425 HD2 HIS 62 HD2 HIS 62 -6.599 -7.765 -4.479 426 HE1 HIS 62 HE1 HIS 62 -7.150 -8.524 -8.586 427 HE2 HIS 62 HE2 HIS 62 -6.097 -6.987 -6.855 428 H ASN 63 H ASN 63 -9.702 -9.480 -1.015 429 HA ASN 63 HA ASN 63 -9.365 -11.967 0.193 430 1HB ASN 63 1HB ASN 63 -11.045 -11.017 1.887 431 2HB ASN 63 2HB ASN 63 -9.466 -10.236 1.714 432 1HD2 ASN 63 1HD2 ASN 63 -9.433 -7.926 0.920 433 2HD2 ASN 63 2HD2 ASN 63 -10.889 -7.113 0.615 434 H SER 64 H SER 64 -12.580 -10.667 -0.138 435 HA SER 64 HA SER 64 -13.422 -13.173 -1.476 436 1HB SER 64 1HB SER 64 -14.125 -12.991 0.983 437 2HB SER 64 2HB SER 64 -15.213 -11.655 0.464 438 HG SER 64 HG SER 64 -16.074 -13.922 0.515 439 H GLU 65 H GLU 65 -15.840 -12.698 -2.292 440 HA GLU 65 HA GLU 65 -15.580 -10.963 -4.445 441 1HB GLU 65 1HB GLU 65 -17.749 -11.558 -5.155 442 2HB GLU 65 2HB GLU 65 -16.990 -12.995 -4.435 443 1HG GLU 65 1HG GLU 65 -18.374 -12.509 -2.258 444 2HG GLU 65 2HG GLU 65 -19.225 -11.240 -3.207 445 HE2 GLU 65 HE2 GLU 65 -20.533 -13.782 -5.424 446 H ILE 66 H ILE 66 -17.406 -10.482 -1.489 447 HA ILE 66 HA ILE 66 -18.081 -7.778 -2.201 448 HB ILE 66 HB ILE 66 -19.642 -9.259 -1.079 449 1HG1 ILE 66 1HG1 ILE 66 -19.039 -6.687 0.475 450 2HG1 ILE 66 2HG1 ILE 66 -19.723 -6.743 -1.191 451 1HG2 ILE 66 1HG2 ILE 66 -18.028 -10.317 0.579 452 2HG2 ILE 66 2HG2 ILE 66 -19.428 -9.535 1.397 453 3HG2 ILE 66 3HG2 ILE 66 -17.836 -8.723 1.398 454 1HD1 ILE 66 1HD1 ILE 66 -21.563 -6.499 0.450 455 2HD1 ILE 66 2HD1 ILE 66 -21.024 -7.969 1.338 456 3HD1 ILE 66 3HD1 ILE 66 -21.672 -8.110 -0.337 457 H GLU 67 H GLU 67 -17.275 -5.770 -1.111 458 HA GLU 67 HA GLU 67 -14.707 -6.209 0.270 459 1HB GLU 67 1HB GLU 67 -13.813 -4.232 -0.819 460 2HB GLU 67 2HB GLU 67 -14.435 -5.366 -2.057 461 1HG GLU 67 1HG GLU 67 -15.206 -3.366 -2.908 462 2HG GLU 67 2HG GLU 67 -16.660 -3.868 -1.991 463 HE2 GLU 67 HE2 GLU 67 -16.766 -2.852 0.236 Start of MODEL 3 1 1H GLY 1 HT1 GLY 1 -7.170 -5.205 12.446 2 2H GLY 1 HT2 GLY 1 -6.675 -4.540 13.933 3 3H GLY 1 HT3 GLY 1 -7.842 -5.771 13.901 4 1HA GLY 1 HA2 GLY 1 -6.232 -7.299 12.998 5 2HA GLY 1 HA1 GLY 1 -5.014 -5.981 13.155 6 H ASP 2 HN ASP 2 -3.954 -7.783 14.451 7 HA ASP 2 HA ASP 2 -4.303 -7.175 17.254 8 1HB ASP 2 HB2 ASP 2 -4.806 -10.035 16.180 9 2HB ASP 2 HB1 ASP 2 -4.306 -9.720 17.880 10 HD2 ASP 2 HD2 ASP 2 -5.563 -8.143 18.984 11 H ASP 3 HN ASP 3 -2.343 -6.229 16.442 12 HA ASP 3 HA ASP 3 -0.182 -6.055 16.165 13 1HB ASP 3 HB2 ASP 3 -0.552 -8.001 18.461 14 2HB ASP 3 HB1 ASP 3 1.124 -7.462 18.042 15 HD2 ASP 3 HD2 ASP 3 0.652 -6.818 20.238 16 H VAL 4 HN VAL 4 -1.098 -7.882 14.225 17 HA VAL 4 HA VAL 4 1.489 -9.185 13.604 18 HB VAL 4 HB VAL 4 -1.078 -9.299 11.981 19 1HG1 VAL 4 HG11 VAL 4 1.476 -11.049 11.980 20 2HG1 VAL 4 HG12 VAL 4 1.036 -9.874 10.681 21 3HG1 VAL 4 HG13 VAL 4 0.017 -11.313 10.970 22 1HG2 VAL 4 HG21 VAL 4 -1.465 -10.346 14.245 23 2HG2 VAL 4 HG22 VAL 4 0.063 -11.280 14.076 24 3HG2 VAL 4 HG23 VAL 4 -1.328 -11.605 12.985 25 H LYS 5 HN LYS 5 2.763 -8.345 11.886 26 HA LYS 5 HA LYS 5 2.093 -5.697 10.922 27 1HB LYS 5 HB2 LYS 5 4.415 -6.707 11.807 28 2HB LYS 5 HB1 LYS 5 4.605 -7.168 10.091 29 1HG LYS 5 HG2 LYS 5 4.092 -4.343 11.253 30 2HG LYS 5 HG1 LYS 5 5.690 -5.012 10.776 31 1HD LYS 5 HD2 LYS 5 4.797 -5.249 8.383 32 2HD LYS 5 HD1 LYS 5 3.320 -4.376 8.893 33 1HE LYS 5 HE2 LYS 5 4.837 -2.804 7.783 34 2HE LYS 5 HE1 LYS 5 4.763 -2.371 9.541 35 1HZ LYS 5 HZ1 LYS 5 6.837 -3.543 9.854 36 2HZ LYS 5 HZ2 LYS 5 6.995 -2.344 8.659 37 3HZ LYS 5 HZ3 LYS 5 6.887 -3.981 8.214 38 H SER 6 HN SER 6 0.445 -7.699 10.242 39 HA SER 6 HA SER 6 0.551 -8.629 7.607 40 1HB SER 6 HB2 SER 6 -2.037 -8.685 7.845 41 2HB SER 6 HB1 SER 6 -1.062 -9.644 9.010 42 HG SER 6 HG SER 6 -2.855 -8.217 9.821 43 H ALA 7 HN ALA 7 -0.482 -7.907 5.645 44 HA ALA 7 HA ALA 7 -1.297 -5.183 5.522 45 1HB ALA 7 HB1 ALA 7 1.516 -6.035 4.631 46 2HB ALA 7 HB2 ALA 7 1.105 -4.728 5.798 47 3HB ALA 7 HB3 ALA 7 0.747 -4.506 4.049 48 H CYS 8 HN CYS 8 -3.001 -5.493 4.224 49 HA CYS 8 HA CYS 8 -2.614 -6.708 1.607 50 1HB CYS 8 HB2 CYS 8 -4.895 -4.957 2.645 51 2HB CYS 8 HB1 CYS 8 -4.881 -5.869 1.098 52 H CYS 9 HN CYS 9 -0.961 -5.696 0.496 53 HA CYS 9 HA CYS 9 -1.433 -2.865 -0.180 54 1HB CYS 9 HB2 CYS 9 0.796 -3.280 0.669 55 2HB CYS 9 HB1 CYS 9 1.020 -4.656 -0.447 56 H ASP 10 HN ASP 10 -2.744 -2.672 -1.855 57 HA ASP 10 HA ASP 10 -3.373 -4.588 -3.737 58 1HB ASP 10 HB2 ASP 10 -3.678 -1.525 -3.745 59 2HB ASP 10 HB1 ASP 10 -4.561 -2.585 -4.837 60 HD2 ASP 10 HD2 ASP 10 -6.056 -1.170 -3.685 61 H THR 11 HN THR 11 -1.139 -1.772 -4.091 62 HA THR 11 HA THR 11 0.105 -2.870 -6.496 63 HB THR 11 HB THR 11 -1.258 -0.116 -6.491 64 HG1 THR 11 HG1 THR 11 -2.225 -2.578 -7.456 65 1HG2 THR 11 HG21 THR 11 0.631 -0.330 -8.147 66 2HG2 THR 11 HG22 THR 11 -0.954 -0.123 -8.934 67 3HG2 THR 11 HG23 THR 11 -0.204 -1.755 -8.884 68 H CYS 12 HN CYS 12 2.187 -1.830 -6.836 69 HA CYS 12 HA CYS 12 3.033 0.056 -4.767 70 1HB CYS 12 HB2 CYS 12 4.566 -1.667 -3.894 71 2HB CYS 12 HB1 CYS 12 2.849 -2.273 -3.878 72 H LEU 13 HN LEU 13 5.244 0.575 -4.817 73 HA LEU 13 HA LEU 13 6.469 0.531 -7.490 74 1HB LEU 13 HB2 LEU 13 4.807 2.262 -7.604 75 2HB LEU 13 HB1 LEU 13 5.206 2.830 -5.935 76 HG LEU 13 HG LEU 13 7.416 3.696 -6.801 77 1HD1 LEU 13 HD11 LEU 13 6.262 2.775 -9.515 78 2HD1 LEU 13 HD12 LEU 13 7.743 2.133 -8.705 79 3HD1 LEU 13 HD13 LEU 13 7.711 3.828 -9.296 80 1HD2 LEU 13 HD21 LEU 13 5.420 5.210 -6.713 81 2HD2 LEU 13 HD22 LEU 13 4.969 4.717 -8.391 82 3HD2 LEU 13 HD23 LEU 13 6.502 5.607 -8.095 83 H CYS 14 HN CYS 14 8.381 -0.137 -7.010 84 HA CYS 14 HA CYS 14 9.881 1.110 -4.857 85 1HB CYS 14 HB2 CYS 14 10.620 -1.276 -6.583 86 2HB CYS 14 HB1 CYS 14 11.591 -0.589 -5.267 87 H THR 15 HN THR 15 11.418 2.527 -5.179 88 HA THR 15 HA THR 15 11.588 3.758 -7.751 89 HB THR 15 HB THR 15 13.254 5.270 -6.779 90 HG1 THR 15 HG1 THR 15 13.636 5.099 -4.586 91 1HG2 THR 15 HG21 THR 15 10.755 5.605 -6.529 92 2HG2 THR 15 HG22 THR 15 11.691 6.296 -5.156 93 3HG2 THR 15 HG23 THR 15 10.801 4.751 -4.947 94 H ARG 16 HN ARG 16 13.407 4.246 -9.044 95 HA ARG 16 HA ARG 16 15.714 2.512 -8.749 96 1HB ARG 16 HB2 ARG 16 16.682 3.227 -10.675 97 2HB ARG 16 HB1 ARG 16 14.939 3.080 -11.091 98 1HG ARG 16 HG2 ARG 16 14.667 5.498 -11.122 99 2HG ARG 16 HG1 ARG 16 16.308 5.762 -10.414 100 1HD ARG 16 HD2 ARG 16 17.353 4.690 -12.423 101 2HD ARG 16 HD1 ARG 16 15.711 4.619 -13.218 102 HE ARG 16 HE ARG 16 15.939 7.267 -12.378 103 1HH1 ARG 16 HH11 ARG 16 17.981 5.171 -14.482 104 2HH1 ARG 16 HH12 ARG 16 18.640 6.511 -15.346 105 1HH2 ARG 16 HH21 ARG 16 16.840 9.007 -13.608 106 2HH2 ARG 16 HH22 ARG 16 17.960 8.681 -14.893 107 H SER 17 HN SER 17 17.377 3.078 -7.445 108 HA SER 17 HA SER 17 18.405 5.592 -7.027 109 1HB SER 17 HB2 SER 17 16.200 5.964 -5.676 110 2HB SER 17 HB1 SER 17 16.796 4.707 -4.551 111 HG SER 17 HG SER 17 17.279 6.978 -4.029 112 H GLN 18 HN GLN 18 19.490 5.153 -4.475 113 HA GLN 18 HA GLN 18 20.378 2.376 -4.384 114 1HB GLN 18 HB2 GLN 18 21.673 3.751 -6.124 115 2HB GLN 18 HB1 GLN 18 22.486 4.538 -4.758 116 1HG GLN 18 HG2 GLN 18 22.406 1.484 -5.422 117 2HG GLN 18 HG1 GLN 18 23.786 2.593 -5.722 118 1HE2 GLN 18 HE21 GLN 18 22.375 0.429 -3.444 119 2HE2 GLN 18 HE22 GLN 18 23.539 0.741 -2.177 120 HA PRO 19 HA PRO 19 19.915 1.145 -2.779 121 1HB PRO 19 HB2 PRO 19 18.401 0.656 -0.510 122 2HB PRO 19 HB1 PRO 19 20.227 0.561 -0.501 123 1HG PRO 19 HG2 PRO 19 18.488 2.985 0.278 124 2HG PRO 19 HG1 PRO 19 19.755 2.160 1.274 125 1HD PRO 19 HD2 PRO 19 20.353 4.377 -0.251 126 2HD PRO 19 HD1 PRO 19 21.536 2.992 -0.150 127 HA PRO 20 HA PRO 20 15.914 2.558 -4.254 128 1HB PRO 20 HB2 PRO 20 14.476 0.223 -4.548 129 2HB PRO 20 HB1 PRO 20 15.955 0.544 -5.535 130 1HG PRO 20 HG2 PRO 20 15.794 -1.057 -2.918 131 2HG PRO 20 HG1 PRO 20 16.469 -1.606 -4.505 132 1HD PRO 20 HD2 PRO 20 18.088 -0.535 -2.547 133 2HD PRO 20 HD1 PRO 20 18.374 -0.130 -4.310 134 H THR 21 HN THR 21 13.522 2.412 -3.709 135 HA THR 21 HA THR 21 12.991 2.146 -0.821 136 HB THR 21 HB THR 21 13.347 4.698 -2.457 137 HG1 THR 21 HG1 THR 21 14.966 3.514 -0.963 138 1HG2 THR 21 HG21 THR 21 11.227 4.996 -1.222 139 2HG2 THR 21 HG22 THR 21 12.505 5.972 -0.448 140 3HG2 THR 21 HG23 THR 21 12.025 4.428 0.316 141 H CYS 22 HN CYS 22 10.748 2.039 -0.369 142 HA CYS 22 HA CYS 22 9.072 1.977 -2.822 143 1HB CYS 22 HB2 CYS 22 10.593 -0.100 -2.410 144 2HB CYS 22 HB1 CYS 22 9.511 -0.474 -1.056 145 H ARG 23 HN ARG 23 6.915 1.433 -2.628 146 HA ARG 23 HA ARG 23 5.527 1.356 -0.136 147 1HB ARG 23 HB2 ARG 23 4.556 3.601 -0.039 148 2HB ARG 23 HB1 ARG 23 6.320 3.756 -0.050 149 1HG ARG 23 HG2 ARG 23 6.325 4.369 -2.454 150 2HG ARG 23 HG1 ARG 23 4.567 4.054 -2.564 151 1HD ARG 23 HD2 ARG 23 4.900 5.947 -0.365 152 2HD ARG 23 HD1 ARG 23 5.948 6.511 -1.715 153 HE ARG 23 HE ARG 23 4.078 7.051 -2.935 154 1HH1 ARG 23 HH11 ARG 23 2.993 4.842 -0.323 155 2HH1 ARG 23 HH12 ARG 23 1.344 4.868 -0.831 156 1HH2 ARG 23 HH21 ARG 23 1.931 7.013 -3.598 157 2HH2 ARG 23 HH22 ARG 23 0.711 6.166 -2.696 158 H CYS 24 HN CYS 24 3.138 2.112 -0.510 159 HA CYS 24 HA CYS 24 2.245 0.412 -2.736 160 1HB CYS 24 HB2 CYS 24 1.933 -0.151 -0.191 161 2HB CYS 24 HB1 CYS 24 0.683 1.100 -0.183 162 H VAL 25 HN VAL 25 1.528 1.641 -4.487 163 HA VAL 25 HA VAL 25 0.831 4.330 -4.196 164 HB VAL 25 HB VAL 25 0.510 4.391 -6.591 165 1HG1 VAL 25 HG11 VAL 25 2.720 4.728 -5.458 166 2HG1 VAL 25 HG12 VAL 25 2.922 3.945 -7.067 167 3HG1 VAL 25 HG13 VAL 25 3.049 2.954 -5.566 168 1HG2 VAL 25 HG21 VAL 25 1.156 2.405 -7.972 169 2HG2 VAL 25 HG22 VAL 25 -0.361 2.096 -7.088 170 3HG2 VAL 25 HG23 VAL 25 1.202 1.369 -6.519 171 H ASP 26 HN ASP 26 -1.070 1.459 -4.625 172 HA ASP 26 HA ASP 26 -3.458 3.064 -5.191 173 1HB ASP 26 HB2 ASP 26 -3.167 1.144 -6.611 174 2HB ASP 26 HB1 ASP 26 -3.050 0.044 -5.184 175 HD2 ASP 26 HD2 ASP 26 -6.549 1.284 -6.546 176 H VAL 27 HN VAL 27 -4.622 3.866 -3.679 177 HA VAL 27 HA VAL 27 -4.473 3.158 -0.979 178 HB VAL 27 HB VAL 27 -6.291 4.709 -0.634 179 1HG1 VAL 27 HG11 VAL 27 -4.253 5.759 -2.685 180 2HG1 VAL 27 HG12 VAL 27 -3.903 5.402 -0.956 181 3HG1 VAL 27 HG13 VAL 27 -5.094 6.690 -1.396 182 1HG2 VAL 27 HG21 VAL 27 -7.752 4.254 -2.552 183 2HG2 VAL 27 HG22 VAL 27 -6.484 4.774 -3.732 184 3HG2 VAL 27 HG23 VAL 27 -7.207 5.963 -2.609 185 H ARG 28 HN ARG 28 -5.979 2.567 0.472 186 HA ARG 28 HA ARG 28 -7.840 0.496 -0.485 187 1HB ARG 28 HB2 ARG 28 -6.944 0.817 2.427 188 2HB ARG 28 HB1 ARG 28 -7.654 -0.616 1.630 189 1HG ARG 28 HG2 ARG 28 -5.375 -1.185 1.916 190 2HG ARG 28 HG1 ARG 28 -5.332 -0.519 0.242 191 1HD ARG 28 HD2 ARG 28 -5.064 1.716 2.073 192 2HD ARG 28 HD1 ARG 28 -4.051 0.431 2.789 193 HE ARG 28 HE ARG 28 -3.660 0.871 -0.139 194 1HH1 ARG 28 HH11 ARG 28 -2.668 1.712 3.146 195 2HH1 ARG 28 HH12 ARG 28 -1.259 2.624 2.677 196 1HH2 ARG 28 HH21 ARG 28 -1.795 2.056 -0.815 197 2HH2 ARG 28 HH22 ARG 28 -0.730 2.774 0.340 198 H GLU 29 HN GLU 29 -9.828 0.239 0.629 199 HA GLU 29 HA GLU 29 -10.993 2.195 2.299 200 1HB GLU 29 HB2 GLU 29 -11.403 -0.755 1.736 201 2HB GLU 29 HB1 GLU 29 -12.411 0.189 2.929 202 1HG GLU 29 HG2 GLU 29 -12.786 1.810 0.858 203 2HG GLU 29 HG1 GLU 29 -12.194 0.436 -0.142 204 HE2 GLU 29 HE2 GLU 29 -15.886 0.507 0.955 205 H SER 30 HN SER 30 -9.918 -1.032 3.389 206 HA SER 30 HA SER 30 -9.301 -0.037 5.997 207 1HB SER 30 HB2 SER 30 -8.700 -2.857 4.929 208 2HB SER 30 HB1 SER 30 -8.645 -2.314 6.645 209 HG SER 30 HG SER 30 -10.587 -3.433 5.980 210 H CYS 31 HN CYS 31 -7.539 1.030 6.560 211 HA CYS 31 HA CYS 31 -5.040 0.314 5.239 212 1HB CYS 31 HB2 CYS 31 -5.719 2.709 5.842 213 2HB CYS 31 HB1 CYS 31 -5.187 2.325 7.513 214 H HIS 32 HN HIS 32 -5.444 -1.954 6.144 215 HA HIS 32 HA HIS 32 -3.302 -2.035 8.134 216 1HB HIS 32 HB2 HIS 32 -5.437 -2.959 9.075 217 2HB HIS 32 HB1 HIS 32 -5.203 -4.347 7.926 218 HD1 HIS 32 HD1 HIS 32 -2.733 -5.423 8.183 219 HD2 HIS 32 HD2 HIS 32 -3.811 -2.946 11.387 220 HE1 HIS 32 HE1 HIS 32 -1.010 -5.721 9.954 221 HE2 HIS 32 HE2 HIS 32 -1.686 -4.216 11.894 222 H SER 33 HN SER 33 -1.974 -1.702 6.670 223 HA SER 33 HA SER 33 -1.633 -3.398 4.258 224 1HB SER 33 HB2 SER 33 -3.520 -1.714 3.848 225 2HB SER 33 HB1 SER 33 -2.388 -0.399 4.306 226 HG SER 33 HG SER 33 -2.464 -2.039 1.999 227 H ALA 34 HN ALA 34 -0.229 -1.141 6.584 228 HA ALA 34 HA ALA 34 1.511 -0.047 4.513 229 1HB ALA 34 HB1 ALA 34 -0.602 1.065 6.471 230 2HB ALA 34 HB2 ALA 34 -0.724 1.068 4.683 231 3HB ALA 34 HB3 ALA 34 0.446 2.165 5.508 232 H CYS 35 HN CYS 35 2.908 1.634 5.341 233 HA CYS 35 HA CYS 35 4.370 1.131 7.683 234 1HB CYS 35 HB2 CYS 35 5.314 3.404 7.083 235 2HB CYS 35 HB1 CYS 35 5.249 2.280 5.696 236 H ASP 36 HN ASP 36 4.703 3.065 9.219 237 HA ASP 36 HA ASP 36 2.662 3.567 10.945 238 1HB ASP 36 HB2 ASP 36 4.109 5.498 11.737 239 2HB ASP 36 HB1 ASP 36 5.007 3.969 11.487 240 HD2 ASP 36 HD2 ASP 36 6.058 6.437 11.679 241 H LYS 37 HN LYS 37 3.667 5.852 8.417 242 HA LYS 37 HA LYS 37 1.492 7.629 9.058 243 1HB LYS 37 HB2 LYS 37 3.908 8.280 8.518 244 2HB LYS 37 HB1 LYS 37 3.543 7.889 6.818 245 1HG LYS 37 HG2 LYS 37 1.743 9.611 6.791 246 2HG LYS 37 HG1 LYS 37 2.062 9.988 8.512 247 1HD LYS 37 HD2 LYS 37 4.388 10.717 7.966 248 2HD LYS 37 HD1 LYS 37 4.191 10.171 6.267 249 1HE LYS 37 HE2 LYS 37 2.320 11.862 5.967 250 2HE LYS 37 HE1 LYS 37 2.681 12.496 7.629 251 1HZ LYS 37 HZ1 LYS 37 4.563 12.379 5.336 252 2HZ LYS 37 HZ2 LYS 37 4.921 12.957 6.891 253 3HZ LYS 37 HZ3 LYS 37 3.770 13.756 5.933 254 H CYS 38 HN CYS 38 -0.087 5.803 8.468 255 HA CYS 38 HA CYS 38 -0.892 5.987 5.702 256 1HB CYS 38 HB2 CYS 38 -1.080 3.915 7.122 257 2HB CYS 38 HB1 CYS 38 -2.389 4.744 8.048 258 H VAL 39 HN VAL 39 -1.706 7.916 5.012 259 HA VAL 39 HA VAL 39 -3.468 9.432 6.777 260 HB VAL 39 HB VAL 39 -3.123 11.225 5.244 261 1HG1 VAL 39 HG11 VAL 39 -1.351 10.650 6.969 262 2HG1 VAL 39 HG12 VAL 39 -0.688 11.483 5.513 263 3HG1 VAL 39 HG13 VAL 39 -0.454 9.717 5.714 264 1HG2 VAL 39 HG21 VAL 39 -1.751 11.031 3.240 265 2HG2 VAL 39 HG22 VAL 39 -3.204 10.004 3.095 266 3HG2 VAL 39 HG23 VAL 39 -1.602 9.237 3.471 267 H CYS 40 HN CYS 40 -5.791 9.751 6.104 268 HA CYS 40 HA CYS 40 -6.527 8.261 3.697 269 1HB CYS 40 HB2 CYS 40 -6.365 6.778 5.690 270 2HB CYS 40 HB1 CYS 40 -7.684 7.722 6.457 271 H ALA 41 HN ALA 41 -7.529 9.574 2.528 272 HA ALA 41 HA ALA 41 -9.335 11.590 3.510 273 1HB ALA 41 HB1 ALA 41 -8.045 11.830 1.359 274 2HB ALA 41 HB2 ALA 41 -9.805 12.168 1.273 275 3HB ALA 41 HB3 ALA 41 -9.162 10.609 0.639 276 H TYR 42 HN TYR 42 -11.435 11.562 3.772 277 HA TYR 42 HA TYR 42 -12.617 9.023 4.226 278 1HB TYR 42 HB2 TYR 42 -14.265 10.358 5.566 279 2HB TYR 42 HB1 TYR 42 -12.533 10.661 5.976 280 HD1 TYR 42 HD1 TYR 42 -15.593 12.131 4.465 281 HD2 TYR 42 HD2 TYR 42 -11.423 12.822 5.333 282 HE1 TYR 42 HE1 TYR 42 -15.880 14.521 4.005 283 HE2 TYR 42 HE2 TYR 42 -11.718 15.190 4.830 284 HH TYR 42 HH TYR 42 -13.304 16.839 4.674 285 H SER 43 HN SER 43 -12.355 9.766 1.595 286 HA SER 43 HA SER 43 -14.710 10.452 0.227 287 1HB SER 43 HB2 SER 43 -12.460 8.675 -0.819 288 2HB SER 43 HB1 SER 43 -13.613 9.708 -1.790 289 HG SER 43 HG SER 43 -11.795 10.898 -1.631 290 H ASN 44 HN ASN 44 -15.330 8.637 -1.622 291 HA ASN 44 HA ASN 44 -16.034 6.156 -0.262 292 1HB ASN 44 HB2 ASN 44 -17.788 7.877 0.080 293 2HB ASN 44 HB1 ASN 44 -17.855 8.175 -1.683 294 1HD2 ASN 44 HD21 ASN 44 -17.889 5.106 0.316 295 2HD2 ASN 44 HD22 ASN 44 -19.312 4.500 -0.444 296 HA PRO 45 HA PRO 45 -15.162 4.310 -0.604 297 1HB PRO 45 HB2 PRO 45 -12.887 3.483 -2.494 298 2HB PRO 45 HB1 PRO 45 -13.716 2.467 -1.289 299 1HG PRO 45 HG2 PRO 45 -14.471 2.252 -3.890 300 2HG PRO 45 HG1 PRO 45 -15.757 2.422 -2.650 301 1HD PRO 45 HD2 PRO 45 -14.599 4.640 -4.421 302 2HD PRO 45 HD1 PRO 45 -16.330 4.260 -4.056 303 HA PRO 46 HA PRO 46 -12.110 7.132 0.919 304 1HB PRO 46 HB2 PRO 46 -11.102 4.724 2.562 305 2HB PRO 46 HB1 PRO 46 -11.290 6.444 3.113 306 1HG PRO 46 HG2 PRO 46 -13.267 4.710 3.705 307 2HG PRO 46 HG1 PRO 46 -13.702 6.310 2.949 308 1HD PRO 46 HD2 PRO 46 -13.462 3.572 1.574 309 2HD PRO 46 HD1 PRO 46 -14.759 4.903 1.405 310 H GLN 47 HN GLN 47 -9.719 7.548 1.411 311 HA GLN 47 HA GLN 47 -8.104 6.041 -0.546 312 1HB GLN 47 HB2 GLN 47 -7.974 9.052 -0.049 313 2HB GLN 47 HB1 GLN 47 -7.139 8.140 -1.356 314 1HG GLN 47 HG2 GLN 47 -10.230 8.370 -1.197 315 2HG GLN 47 HG1 GLN 47 -9.198 9.641 -1.915 316 1HE2 GLN 47 HE21 GLN 47 -10.035 6.166 -2.185 317 2HE2 GLN 47 HE22 GLN 47 -9.637 6.068 -3.891 318 H CYS 48 HN CYS 48 -7.563 4.859 1.386 319 HA CYS 48 HA CYS 48 -5.806 6.217 3.291 320 1HB CYS 48 HB2 CYS 48 -6.629 3.289 3.036 321 2HB CYS 48 HB1 CYS 48 -5.458 3.944 4.235 322 H GLN 49 HN GLN 49 -3.717 6.574 2.998 323 HA GLN 49 HA GLN 49 -2.252 4.739 1.283 324 1HB GLN 49 HB2 GLN 49 -3.171 6.954 0.220 325 2HB GLN 49 HB1 GLN 49 -1.905 7.772 1.156 326 1HG GLN 49 HG2 GLN 49 -0.135 6.374 0.015 327 2HG GLN 49 HG1 GLN 49 -1.431 5.441 -0.836 328 1HE2 GLN 49 HE21 GLN 49 -1.717 6.107 -2.920 329 2HE2 GLN 49 HE22 GLN 49 -1.430 7.725 -3.501 330 H CYS 50 HN CYS 50 -0.295 4.234 1.809 331 HA CYS 50 HA CYS 50 1.008 5.222 4.222 332 1HB CYS 50 HB2 CYS 50 1.077 2.779 3.575 333 2HB CYS 50 HB1 CYS 50 1.717 3.213 1.988 334 H TYR 51 HN TYR 51 1.320 7.329 3.842 335 HA TYR 51 HA TYR 51 2.440 8.650 1.683 336 1HB TYR 51 HB2 TYR 51 1.165 9.438 3.805 337 2HB TYR 51 HB1 TYR 51 2.708 9.404 4.658 338 HD1 TYR 51 HD1 TYR 51 0.446 11.528 3.225 339 HD2 TYR 51 HD2 TYR 51 4.704 10.796 3.153 340 HE1 TYR 51 HE1 TYR 51 0.835 13.829 2.769 341 HE2 TYR 51 HE2 TYR 51 5.098 13.112 2.697 342 HH TYR 51 HH TYR 51 4.154 15.210 2.356 343 H ASP 52 HN ASP 52 3.981 7.188 4.428 344 HA ASP 52 HA ASP 52 6.623 8.239 3.728 345 1HB ASP 52 HB2 ASP 52 5.863 8.273 6.109 346 2HB ASP 52 HB1 ASP 52 5.741 6.467 6.094 347 HD2 ASP 52 HD2 ASP 52 8.903 6.543 7.344 348 H THR 53 HN THR 53 8.123 7.207 2.508 349 HA THR 53 HA THR 53 7.678 4.549 1.605 350 HB THR 53 HB THR 53 9.956 4.733 0.619 351 HG1 THR 53 HG1 THR 53 10.429 7.141 0.505 352 1HG2 THR 53 HG21 THR 53 7.932 6.990 -0.010 353 2HG2 THR 53 HG22 THR 53 7.872 5.292 -0.624 354 3HG2 THR 53 HG23 THR 53 9.217 6.371 -1.111 355 H HIS 54 HN HIS 54 8.723 2.653 2.082 356 HA HIS 54 HA HIS 54 10.385 2.527 4.416 357 1HB HIS 54 HB2 HIS 54 8.246 2.930 5.593 358 2HB HIS 54 HB1 HIS 54 7.457 1.587 4.711 359 HD1 HIS 54 HD1 HIS 54 8.085 -0.817 5.352 360 HD2 HIS 54 HD2 HIS 54 9.733 2.053 7.937 361 HE1 HIS 54 HE1 HIS 54 8.743 -2.002 7.413 362 HE2 HIS 54 HE2 HIS 54 9.776 -0.259 8.968 363 H LYS 55 HN LYS 55 8.002 0.554 2.729 364 HA LYS 55 HA LYS 55 9.413 -1.778 3.443 365 1HB LYS 55 HB2 LYS 55 7.185 -2.762 3.181 366 2HB LYS 55 HB1 LYS 55 7.091 -1.222 4.005 367 1HG LYS 55 HG2 LYS 55 6.388 -0.103 1.740 368 2HG LYS 55 HG1 LYS 55 6.210 -1.766 1.144 369 1HD LYS 55 HD2 LYS 55 4.714 -2.193 3.257 370 2HD LYS 55 HD1 LYS 55 4.730 -0.416 3.472 371 1HE LYS 55 HE2 LYS 55 2.695 -1.056 2.222 372 2HE LYS 55 HE1 LYS 55 3.806 -0.186 1.085 373 1HZ LYS 55 HZ1 LYS 55 3.541 -3.139 1.367 374 2HZ LYS 55 HZ2 LYS 55 4.565 -2.333 0.287 375 3HZ LYS 55 HZ3 LYS 55 2.877 -2.196 0.119 376 H PHE 56 HN PHE 56 7.616 -2.982 1.088 377 HA PHE 56 HA PHE 56 9.351 -2.705 -1.174 378 1HB PHE 56 HB2 PHE 56 10.007 -5.097 -1.278 379 2HB PHE 56 HB1 PHE 56 10.641 -4.337 0.207 380 HD1 PHE 56 HD1 PHE 56 9.273 -4.652 2.429 381 HD2 PHE 56 HD2 PHE 56 8.722 -7.095 -1.080 382 HE1 PHE 56 HE1 PHE 56 8.249 -6.401 3.801 383 HE2 PHE 56 HE2 PHE 56 7.798 -8.876 0.317 384 HZ PHE 56 HZ PHE 56 7.538 -8.539 2.763 385 H CYS 57 HN CYS 57 8.370 -4.732 -2.782 386 HA CYS 57 HA CYS 57 5.518 -4.138 -2.858 387 1HB CYS 57 HB2 CYS 57 7.498 -5.410 -4.750 388 2HB CYS 57 HB1 CYS 57 5.764 -5.790 -4.936 389 H TYR 58 HN TYR 58 5.000 -5.047 -0.900 390 HA TYR 58 HA TYR 58 4.970 -7.918 -0.544 391 1HB TYR 58 HB2 TYR 58 5.141 -6.215 1.307 392 2HB TYR 58 HB1 TYR 58 3.444 -5.733 0.949 393 HD1 TYR 58 HD1 TYR 58 1.746 -6.830 2.144 394 HD2 TYR 58 HD2 TYR 58 5.524 -8.835 1.697 395 HE1 TYR 58 HE1 TYR 58 0.988 -8.599 3.628 396 HE2 TYR 58 HE2 TYR 58 4.765 -10.597 3.192 397 HH TYR 58 HH TYR 58 1.419 -10.607 4.543 398 H LYS 59 HN LYS 59 2.997 -8.961 -0.051 399 HA LYS 59 HA LYS 59 1.365 -9.434 -2.216 400 1HB LYS 59 HB2 LYS 59 0.840 -10.120 0.698 401 2HB LYS 59 HB1 LYS 59 0.122 -10.930 -0.746 402 1HG LYS 59 HG2 LYS 59 3.082 -11.143 0.192 403 2HG LYS 59 HG1 LYS 59 1.770 -12.295 0.410 404 1HD LYS 59 HD2 LYS 59 2.824 -13.251 -1.344 405 2HD LYS 59 HD1 LYS 59 1.561 -12.322 -2.221 406 1HE LYS 59 HE2 LYS 59 3.285 -10.583 -2.834 407 2HE LYS 59 HE1 LYS 59 4.500 -11.421 -1.785 408 1HZ LYS 59 HZ1 LYS 59 4.373 -13.324 -3.191 409 2HZ LYS 59 HZ2 LYS 59 4.727 -11.949 -4.122 410 3HZ LYS 59 HZ3 LYS 59 3.165 -12.614 -4.153 411 H ALA 60 HN ALA 60 -0.864 -9.329 -2.631 412 HA ALA 60 HA ALA 60 -2.205 -6.981 -1.493 413 1HB ALA 60 HB1 ALA 60 -1.744 -7.002 -3.975 414 2HB ALA 60 HB2 ALA 60 -3.517 -7.091 -3.660 415 3HB ALA 60 HB3 ALA 60 -2.581 -8.581 -4.098 416 H CYS 61 HN CYS 61 -4.472 -7.013 -1.101 417 HA CYS 61 HA CYS 61 -5.864 -9.402 -1.435 418 1HB CYS 61 HB2 CYS 61 -6.806 -8.458 1.141 419 2HB CYS 61 HB1 CYS 61 -6.290 -10.096 0.672 420 H HIS 62 HN HIS 62 -8.138 -9.019 -1.296 421 HA HIS 62 HA HIS 62 -8.593 -6.658 -2.807 422 1HB HIS 62 HB2 HIS 62 -10.419 -8.931 -1.915 423 2HB HIS 62 HB1 HIS 62 -11.050 -7.573 -2.876 424 HD1 HIS 62 HD1 HIS 62 -10.032 -7.131 -5.192 425 HD2 HIS 62 HD2 HIS 62 -8.581 -10.632 -3.409 426 HE1 HIS 62 HE1 HIS 62 -8.841 -8.413 -6.986 427 HE2 HIS 62 HE2 HIS 62 -7.906 -10.499 -5.870 428 H ASN 63 HN ASN 63 -10.360 -5.124 -2.629 429 HA ASN 63 HA ASN 63 -11.934 -4.786 -0.456 430 1HB ASN 63 HB2 ASN 63 -11.093 -2.709 0.569 431 2HB ASN 63 HB1 ASN 63 -9.978 -4.065 0.862 432 1HD2 ASN 63 HD21 ASN 63 -7.894 -4.084 -0.539 433 2HD2 ASN 63 HD22 ASN 63 -7.347 -2.599 -1.196 434 H SER 64 HN SER 64 -10.284 -3.216 -3.131 435 HA SER 64 HA SER 64 -12.666 -1.500 -3.619 436 1HB SER 64 HB2 SER 64 -9.702 -1.197 -4.395 437 2HB SER 64 HB1 SER 64 -11.016 -0.060 -4.897 438 HG SER 64 HG SER 64 -10.133 -0.586 -2.220 439 H GLU 65 HN GLU 65 -12.855 -4.138 -4.485 440 HA GLU 65 HA GLU 65 -11.957 -4.706 -7.029 441 1HB GLU 65 HB2 GLU 65 -13.481 -6.548 -7.065 442 2HB GLU 65 HB1 GLU 65 -12.814 -6.397 -5.428 443 1HG GLU 65 HG2 GLU 65 -15.630 -5.412 -6.301 444 2HG GLU 65 HG1 GLU 65 -15.278 -6.978 -5.502 445 HE2 GLU 65 HE2 GLU 65 -16.992 -5.272 -4.519 446 H ILE 66 HN ILE 66 -14.344 -2.573 -6.174 447 HA ILE 66 HA ILE 66 -14.954 -1.718 -8.826 448 HB ILE 66 HB ILE 66 -17.398 -1.597 -8.445 449 1HG1 ILE 66 HG12 ILE 66 -17.033 -3.625 -6.156 450 2HG1 ILE 66 HG11 ILE 66 -17.337 -1.879 -5.891 451 1HG2 ILE 66 HG21 ILE 66 -17.960 -3.930 -9.074 452 2HG2 ILE 66 HG22 ILE 66 -16.383 -4.514 -8.442 453 3HG2 ILE 66 HG23 ILE 66 -16.441 -3.420 -9.874 454 1HD1 ILE 66 HD11 ILE 66 -19.499 -2.059 -7.191 455 2HD1 ILE 66 HD12 ILE 66 -19.456 -3.071 -5.702 456 3HD1 ILE 66 HD13 ILE 66 -19.241 -3.845 -7.310 457 H GLU 67 HN GLU 67 -15.897 0.442 -8.665 458 HA GLU 67 HA GLU 67 -15.672 1.622 -5.947 459 1HB GLU 67 HB2 GLU 67 -14.504 3.493 -6.723 460 2HB GLU 67 HB1 GLU 67 -13.697 2.066 -7.433 461 1HG GLU 67 HG2 GLU 67 -15.083 2.580 -9.626 462 2HG GLU 67 HG1 GLU 67 -15.534 4.136 -8.838 463 HE2 GLU 67 HE2 GLU 67 -14.507 4.659 -10.815 Start of MODEL 4 1 1H GLY 1 1H GLY 1 -8.111 -15.265 9.515 2 2H GLY 1 2H GLY 1 -9.718 -14.786 9.774 3 3H GLY 1 3H GLY 1 -8.955 -15.831 10.875 4 1HA GLY 1 1HA GLY 1 -9.100 -13.642 11.750 5 2HA GLY 1 2HA GLY 1 -7.386 -14.133 11.442 6 H ASP 2 H ASP 2 -8.402 -11.400 11.753 7 HA ASP 2 HA ASP 2 -7.378 -10.264 9.266 8 1HB ASP 2 1HB ASP 2 -9.843 -10.776 8.798 9 2HB ASP 2 2HB ASP 2 -10.284 -9.826 10.252 10 HD2 ASP 2 HD2 ASP 2 -10.809 -7.293 8.087 11 H ASP 3 H ASP 3 -5.918 -9.985 11.271 12 HA ASP 3 HA ASP 3 -6.326 -7.308 12.323 13 1HB ASP 3 1HB ASP 3 -6.089 -8.032 14.687 14 2HB ASP 3 2HB ASP 3 -7.578 -8.695 13.916 15 HD2 ASP 3 HD2 ASP 3 -7.178 -9.848 15.863 16 H VAL 4 H VAL 4 -4.548 -7.720 10.526 17 HA VAL 4 HA VAL 4 -2.106 -8.768 11.775 18 HB VAL 4 HB VAL 4 -3.412 -10.183 10.202 19 1HG1 VAL 4 1HG1 VAL 4 -2.956 -9.886 7.765 20 2HG1 VAL 4 2HG1 VAL 4 -2.229 -8.274 8.072 21 3HG1 VAL 4 3HG1 VAL 4 -3.964 -8.566 8.427 22 1HG2 VAL 4 1HG2 VAL 4 -1.134 -10.720 10.969 23 2HG2 VAL 4 2HG2 VAL 4 -0.405 -9.714 9.665 24 3HG2 VAL 4 3HG2 VAL 4 -1.352 -11.170 9.245 25 H LYS 5 H LYS 5 -0.202 -7.892 11.501 26 HA LYS 5 HA LYS 5 0.181 -5.284 10.430 27 1HB LYS 5 1HB LYS 5 1.849 -7.407 11.810 28 2HB LYS 5 2HB LYS 5 2.741 -6.147 10.937 29 1HG LYS 5 1HG LYS 5 1.794 -4.359 12.198 30 2HG LYS 5 2HG LYS 5 0.600 -5.433 12.993 31 1HD LYS 5 1HD LYS 5 2.397 -6.650 14.184 32 2HD LYS 5 2HD LYS 5 3.665 -5.727 13.293 33 1HE LYS 5 1HE LYS 5 2.861 -3.595 14.342 34 2HE LYS 5 2HE LYS 5 1.619 -4.517 15.283 35 1HZ LYS 5 1HZ LYS 5 3.601 -4.072 16.555 36 2HZ LYS 5 2HZ LYS 5 4.568 -4.895 15.427 37 3HZ LYS 5 3HZ LYS 5 3.403 -5.745 16.321 38 H SER 6 H SER 6 -0.101 -8.067 8.794 39 HA SER 6 HA SER 6 1.878 -7.948 6.792 40 1HB SER 6 1HB SER 6 -1.033 -8.794 6.353 41 2HB SER 6 2HB SER 6 0.366 -9.151 5.274 42 HG SER 6 HG SER 6 -0.351 -10.787 6.860 43 H ALA 7 H ALA 7 2.348 -6.519 5.212 44 HA ALA 7 HA ALA 7 0.599 -4.371 4.572 45 1HB ALA 7 1HB ALA 7 3.125 -5.417 3.235 46 2HB ALA 7 2HB ALA 7 3.041 -4.109 4.452 47 3HB ALA 7 3HB ALA 7 2.314 -3.862 2.814 48 H CYS 8 H CYS 8 -1.064 -4.293 3.245 49 HA CYS 8 HA CYS 8 -1.375 -6.526 1.324 50 1HB CYS 8 1HB CYS 8 -3.627 -6.512 1.584 51 2HB CYS 8 2HB CYS 8 -3.019 -6.235 3.229 52 H CYS 9 H CYS 9 -0.797 -6.159 -0.712 53 HA CYS 9 HA CYS 9 -1.166 -3.451 -1.853 54 1HB CYS 9 1HB CYS 9 1.237 -5.339 -1.627 55 2HB CYS 9 2HB CYS 9 1.305 -3.901 -2.713 56 H ASP 10 H ASP 10 0.018 -3.745 -4.251 57 HA ASP 10 HA ASP 10 0.577 -5.871 -5.392 58 1HB ASP 10 1HB ASP 10 -0.909 -6.762 -7.038 59 2HB ASP 10 2HB ASP 10 -1.369 -7.159 -5.385 60 HD2 ASP 10 HD2 ASP 10 -3.003 -5.926 -4.551 61 H THR 11 H THR 11 -1.415 -3.038 -6.264 62 HA THR 11 HA THR 11 0.670 -2.167 -8.078 63 HB THR 11 HB THR 11 -1.472 -0.504 -6.704 64 HG1 THR 11 HG1 THR 11 -2.422 -0.637 -8.780 65 1HG2 THR 11 1HG2 THR 11 0.216 0.056 -9.255 66 2HG2 THR 11 2HG2 THR 11 0.462 0.881 -7.675 67 3HG2 THR 11 3HG2 THR 11 -1.061 1.124 -8.571 68 H CYS 12 H CYS 12 2.439 -1.017 -7.693 69 HA CYS 12 HA CYS 12 3.193 -0.026 -5.044 70 1HB CYS 12 1HB CYS 12 4.269 -2.376 -6.695 71 2HB CYS 12 2HB CYS 12 5.288 -1.585 -5.406 72 H LEU 13 H LEU 13 5.121 1.218 -5.120 73 HA LEU 13 HA LEU 13 6.173 1.961 -7.755 74 1HB LEU 13 1HB LEU 13 4.001 3.078 -7.456 75 2HB LEU 13 2HB LEU 13 4.505 3.789 -5.911 76 HG LEU 13 HG LEU 13 6.092 4.323 -8.503 77 1HD1 LEU 13 1HD1 LEU 13 4.528 6.174 -9.091 78 2HD1 LEU 13 2HD1 LEU 13 3.436 5.699 -7.738 79 3HD1 LEU 13 3HD1 LEU 13 3.693 4.575 -9.124 80 1HD2 LEU 13 1HD2 LEU 13 5.345 6.174 -6.135 81 2HD2 LEU 13 2HD2 LEU 13 6.421 6.588 -7.514 82 3HD2 LEU 13 3HD2 LEU 13 6.934 5.345 -6.320 83 H CYS 14 H CYS 14 8.156 3.021 -7.597 84 HA CYS 14 HA CYS 14 9.297 3.022 -4.916 85 1HB CYS 14 1HB CYS 14 9.228 0.728 -6.279 86 2HB CYS 14 2HB CYS 14 10.525 1.473 -7.244 87 H THR 15 H THR 15 11.262 3.730 -4.474 88 HA THR 15 HA THR 15 12.490 5.624 -6.339 89 HB THR 15 HB THR 15 14.259 5.915 -4.729 90 HG1 THR 15 HG1 THR 15 12.666 4.378 -2.942 91 1HG2 THR 15 1HG2 THR 15 12.133 7.262 -4.646 92 2HG2 THR 15 2HG2 THR 15 12.892 7.093 -3.024 93 3HG2 THR 15 3HG2 THR 15 11.430 6.124 -3.452 94 H ARG 16 H ARG 16 13.816 4.917 -7.945 95 HA ARG 16 HA ARG 16 15.377 2.498 -7.561 96 1HB ARG 16 1HB ARG 16 15.334 4.582 -9.794 97 2HB ARG 16 2HB ARG 16 16.535 3.242 -9.698 98 1HG ARG 16 1HG ARG 16 14.679 1.585 -9.614 99 2HG ARG 16 2HG ARG 16 13.512 2.902 -9.976 100 1HD ARG 16 1HD ARG 16 14.784 3.338 -12.160 101 2HD ARG 16 2HD ARG 16 15.931 2.007 -11.706 102 HE ARG 16 HE ARG 16 13.017 1.328 -11.768 103 1HH1 ARG 16 1HH1 ARG 16 16.168 1.208 -13.454 104 2HH1 ARG 16 2HH1 ARG 16 15.651 0.002 -14.589 105 1HH2 ARG 16 1HH2 ARG 16 12.351 -0.245 -13.321 106 2HH2 ARG 16 2HH2 ARG 16 13.465 -0.830 -14.512 107 H SER 17 H SER 17 17.328 2.510 -6.568 108 HA SER 17 HA SER 17 19.008 4.763 -6.225 109 1HB SER 17 1HB SER 17 16.904 5.531 -4.927 110 2HB SER 17 2HB SER 17 17.158 4.152 -3.826 111 HG SER 17 HG SER 17 18.046 6.167 -3.082 112 H GLN 18 H GLN 18 19.598 4.101 -3.487 113 HA GLN 18 HA GLN 18 20.760 1.405 -3.511 114 1HB GLN 18 1HB GLN 18 22.240 4.092 -3.555 115 2HB GLN 18 2HB GLN 18 23.019 2.564 -3.014 116 1HG GLN 18 1HG GLN 18 22.671 1.564 -5.319 117 2HG GLN 18 2HG GLN 18 21.957 3.118 -5.870 118 1HE2 GLN 18 1HE2 GLN 18 24.951 1.647 -4.510 119 2HE2 GLN 18 2HE2 GLN 18 26.013 2.911 -5.106 120 HA PRO 19 HA PRO 19 19.654 0.131 -2.246 121 1HB PRO 19 1HB PRO 19 17.764 -0.515 -0.310 122 2HB PRO 19 2HB PRO 19 19.555 -0.796 -0.057 123 1HG PRO 19 1HG PRO 19 17.907 1.628 0.876 124 2HG PRO 19 2HG PRO 19 18.983 0.563 1.868 125 1HD PRO 19 1HD PRO 19 19.893 2.932 0.774 126 2HD PRO 19 2HD PRO 19 20.972 1.471 0.831 127 HA PRO 20 HA PRO 20 15.910 2.240 -3.793 128 1HB PRO 20 1HB PRO 20 14.549 0.201 -5.003 129 2HB PRO 20 2HB PRO 20 16.128 0.757 -5.664 130 1HG PRO 20 1HG PRO 20 15.657 -1.587 -3.739 131 2HG PRO 20 2HG PRO 20 16.522 -1.612 -5.335 132 1HD PRO 20 1HD PRO 20 17.838 -1.307 -2.897 133 2HD PRO 20 2HD PRO 20 18.410 -0.441 -4.409 134 H THR 21 H THR 21 13.660 2.314 -3.294 135 HA THR 21 HA THR 21 12.842 0.925 -0.801 136 HB THR 21 HB THR 21 14.098 3.673 -1.036 137 HG1 THR 21 HG1 THR 21 15.047 1.585 -0.204 138 1HG2 THR 21 1HG2 THR 21 13.184 4.061 1.376 139 2HG2 THR 21 2HG2 THR 21 12.001 2.745 1.007 140 3HG2 THR 21 3HG2 THR 21 12.036 4.271 0.027 141 H CYS 22 H CYS 22 10.809 0.483 -1.138 142 HA CYS 22 HA CYS 22 9.373 2.102 -3.080 143 1HB CYS 22 1HB CYS 22 8.707 -0.760 -2.332 144 2HB CYS 22 2HB CYS 22 8.133 0.146 -3.743 145 H ARG 23 H ARG 23 6.893 1.470 -2.926 146 HA ARG 23 HA ARG 23 5.751 1.090 -0.443 147 1HB ARG 23 1HB ARG 23 4.987 3.108 0.324 148 2HB ARG 23 2HB ARG 23 6.546 3.628 -0.330 149 1HG ARG 23 1HG ARG 23 3.796 4.042 -1.572 150 2HG ARG 23 2HG ARG 23 4.880 5.241 -0.784 151 1HD ARG 23 1HD ARG 23 6.546 4.475 -2.798 152 2HD ARG 23 2HD ARG 23 4.981 4.007 -3.564 153 HE ARG 23 HE ARG 23 5.995 6.415 -3.863 154 1HH1 ARG 23 1HH1 ARG 23 3.195 5.939 -1.625 155 2HH1 ARG 23 2HH1 ARG 23 2.411 7.359 -2.209 156 1HH2 ARG 23 1HH2 ARG 23 4.986 8.178 -4.509 157 2HH2 ARG 23 2HH2 ARG 23 3.447 8.682 -3.869 158 H CYS 24 H CYS 24 3.398 1.650 -0.676 159 HA CYS 24 HA CYS 24 2.492 0.183 -3.102 160 1HB CYS 24 1HB CYS 24 2.965 -1.267 -1.186 161 2HB CYS 24 2HB CYS 24 2.180 -0.147 -0.051 162 H VAL 25 H VAL 25 0.432 0.733 -3.842 163 HA VAL 25 HA VAL 25 -0.706 3.283 -2.986 164 HB VAL 25 HB VAL 25 0.250 4.397 -5.007 165 1HG1 VAL 25 1HG1 VAL 25 2.551 4.737 -4.472 166 2HG1 VAL 25 2HG1 VAL 25 2.691 3.184 -3.615 167 3HG1 VAL 25 3HG1 VAL 25 1.681 4.514 -2.899 168 1HG2 VAL 25 1HG2 VAL 25 1.595 1.638 -5.423 169 2HG2 VAL 25 2HG2 VAL 25 2.173 3.155 -6.222 170 3HG2 VAL 25 3HG2 VAL 25 0.536 2.546 -6.577 171 H ASP 26 H ASP 26 -1.766 0.548 -4.016 172 HA ASP 26 HA ASP 26 -3.765 2.121 -5.486 173 1HB ASP 26 1HB ASP 26 -3.591 -0.130 -6.523 174 2HB ASP 26 2HB ASP 26 -3.869 -0.877 -4.907 175 HD2 ASP 26 HD2 ASP 26 -6.945 1.216 -6.501 176 H VAL 27 H VAL 27 -5.611 2.551 -4.438 177 HA VAL 27 HA VAL 27 -5.375 2.899 -1.593 178 HB VAL 27 HB VAL 27 -6.008 4.490 -3.498 179 1HG1 VAL 27 1HG1 VAL 27 -8.800 3.248 -3.048 180 2HG1 VAL 27 2HG1 VAL 27 -7.775 2.922 -4.495 181 3HG1 VAL 27 3HG1 VAL 27 -8.344 4.589 -4.157 182 1HG2 VAL 27 1HG2 VAL 27 -7.407 5.797 -1.988 183 2HG2 VAL 27 2HG2 VAL 27 -6.126 4.980 -1.020 184 3HG2 VAL 27 3HG2 VAL 27 -7.818 4.338 -1.011 185 H ARG 28 H ARG 28 -6.906 2.301 0.004 186 HA ARG 28 HA ARG 28 -8.978 0.400 -0.848 187 1HB ARG 28 1HB ARG 28 -7.246 0.260 1.695 188 2HB ARG 28 2HB ARG 28 -8.719 -0.734 1.383 189 1HG ARG 28 1HG ARG 28 -7.035 -2.236 0.995 190 2HG ARG 28 2HG ARG 28 -7.423 -1.681 -0.667 191 1HD ARG 28 1HD ARG 28 -5.385 -0.060 -0.476 192 2HD ARG 28 2HD ARG 28 -5.090 -0.732 1.143 193 HE ARG 28 HE ARG 28 -4.170 -2.647 0.172 194 1HH1 ARG 28 1HH1 ARG 28 -6.000 -0.918 -2.421 195 2HH1 ARG 28 2HH1 ARG 28 -5.420 -1.973 -3.659 196 1HH2 ARG 28 1HH2 ARG 28 -3.406 -3.966 -1.553 197 2HH2 ARG 28 2HH2 ARG 28 -3.963 -3.705 -3.175 198 H GLU 29 H GLU 29 -10.703 0.342 0.802 199 HA GLU 29 HA GLU 29 -11.321 2.678 2.268 200 1HB GLU 29 1HB GLU 29 -12.560 0.492 3.584 201 2HB GLU 29 2HB GLU 29 -13.251 1.705 2.482 202 1HG GLU 29 1HG GLU 29 -14.005 -0.372 1.718 203 2HG GLU 29 2HG GLU 29 -12.793 0.135 0.508 204 HE2 GLU 29 HE2 GLU 29 -13.912 -2.372 1.446 205 H SER 30 H SER 30 -10.053 -0.451 3.151 206 HA SER 30 HA SER 30 -9.370 -0.043 5.753 207 1HB SER 30 1HB SER 30 -7.962 -1.903 3.756 208 2HB SER 30 2HB SER 30 -7.706 -1.953 5.536 209 HG SER 30 HG SER 30 -9.679 -2.676 5.864 210 H CYS 31 H CYS 31 -7.828 0.579 7.006 211 HA CYS 31 HA CYS 31 -5.513 1.966 5.848 212 1HB CYS 31 1HB CYS 31 -6.928 3.081 7.566 213 2HB CYS 31 2HB CYS 31 -6.407 1.830 8.762 214 H HIS 32 H HIS 32 -3.817 1.246 8.404 215 HA HIS 32 HA HIS 32 -3.160 -1.438 8.177 216 1HB HIS 32 1HB HIS 32 -0.975 -1.015 6.614 217 2HB HIS 32 2HB HIS 32 -2.591 -1.478 5.954 218 HD1 HIS 32 HD1 HIS 32 -1.375 1.962 6.930 219 HD2 HIS 32 HD2 HIS 32 -2.807 -0.136 3.600 220 HE1 HIS 32 HE1 HIS 32 -1.739 3.648 5.123 221 HE2 HIS 32 HE2 HIS 32 -2.594 2.358 3.088 222 H SER 33 H SER 33 -2.297 -1.637 10.127 223 HA SER 33 HA SER 33 -0.320 0.000 11.318 224 1HB SER 33 1HB SER 33 -1.023 -2.991 11.633 225 2HB SER 33 2HB SER 33 0.319 -2.256 12.584 226 HG SER 33 HG SER 33 -1.477 -2.239 13.775 227 H ALA 34 H ALA 34 -0.080 -2.121 8.649 228 HA ALA 34 HA ALA 34 2.530 -3.080 8.934 229 1HB ALA 34 1HB ALA 34 0.807 -2.574 6.404 230 2HB ALA 34 2HB ALA 34 0.671 -4.025 7.452 231 3HB ALA 34 3HB ALA 34 2.189 -3.730 6.549 232 H CYS 35 H CYS 35 1.628 0.092 8.501 233 HA CYS 35 HA CYS 35 4.149 0.778 7.174 234 1HB CYS 35 1HB CYS 35 2.059 0.319 5.613 235 2HB CYS 35 2HB CYS 35 1.438 1.889 6.253 236 H ASP 36 H ASP 36 4.195 3.362 6.951 237 HA ASP 36 HA ASP 36 3.553 4.429 9.597 238 1HB ASP 36 1HB ASP 36 5.085 5.940 7.452 239 2HB ASP 36 2HB ASP 36 5.248 6.043 9.267 240 HD2 ASP 36 HD2 ASP 36 6.922 2.927 9.259 241 H LYS 37 H LYS 37 3.561 7.153 7.878 242 HA LYS 37 HA LYS 37 1.248 8.086 8.091 243 1HB LYS 37 1HB LYS 37 3.336 9.078 7.035 244 2HB LYS 37 2HB LYS 37 2.882 8.339 5.506 245 1HG LYS 37 1HG LYS 37 2.386 10.746 5.599 246 2HG LYS 37 2HG LYS 37 0.906 9.793 5.349 247 1HD LYS 37 1HD LYS 37 0.226 10.097 7.702 248 2HD LYS 37 2HD LYS 37 1.817 10.845 8.097 249 1HE LYS 37 1HE LYS 37 1.288 12.800 6.617 250 2HE LYS 37 2HE LYS 37 -0.304 12.062 6.194 251 1HZ LYS 37 1HZ LYS 37 -0.922 12.141 8.486 252 2HZ LYS 37 2HZ LYS 37 -0.448 13.685 7.960 253 3HZ LYS 37 3HZ LYS 37 0.594 12.767 8.938 254 H CYS 38 H CYS 38 -0.515 6.546 7.985 255 HA CYS 38 HA CYS 38 -1.608 5.933 5.388 256 1HB CYS 38 1HB CYS 38 -1.719 4.422 7.422 257 2HB CYS 38 2HB CYS 38 -2.633 5.690 8.277 258 H VAL 39 H VAL 39 -2.403 7.623 4.196 259 HA VAL 39 HA VAL 39 -3.787 9.776 5.595 260 HB VAL 39 HB VAL 39 -2.852 9.392 2.726 261 1HG1 VAL 39 1HG1 VAL 39 -4.639 11.231 3.297 262 2HG1 VAL 39 2HG1 VAL 39 -3.047 11.912 2.754 263 3HG1 VAL 39 3HG1 VAL 39 -3.462 11.864 4.508 264 1HG2 VAL 39 1HG2 VAL 39 -1.499 10.584 5.212 265 2HG2 VAL 39 2HG2 VAL 39 -1.008 11.022 3.532 266 3HG2 VAL 39 3HG2 VAL 39 -0.838 9.311 4.095 267 H CYS 40 H CYS 40 -6.074 9.678 5.541 268 HA CYS 40 HA CYS 40 -7.276 8.111 3.420 269 1HB CYS 40 1HB CYS 40 -6.476 6.671 5.320 270 2HB CYS 40 2HB CYS 40 -7.665 7.478 6.383 271 H ALA 41 H ALA 41 -7.921 10.206 2.900 272 HA ALA 41 HA ALA 41 -9.734 11.650 4.592 273 1HB ALA 41 1HB ALA 41 -9.312 11.962 1.588 274 2HB ALA 41 2HB ALA 41 -8.418 12.841 2.890 275 3HB ALA 41 3HB ALA 41 -10.183 13.120 2.679 276 H TYR 42 H TYR 42 -11.908 12.053 4.405 277 HA TYR 42 HA TYR 42 -13.249 9.605 4.289 278 1HB TYR 42 1HB TYR 42 -15.071 11.091 5.477 279 2HB TYR 42 2HB TYR 42 -13.471 10.743 6.232 280 HD1 TYR 42 HD1 TYR 42 -12.079 12.530 6.917 281 HD2 TYR 42 HD2 TYR 42 -15.110 13.324 3.964 282 HE1 TYR 42 HE1 TYR 42 -11.433 14.896 6.888 283 HE2 TYR 42 HE2 TYR 42 -14.431 15.689 3.922 284 HH TYR 42 HH TYR 42 -12.802 17.178 4.521 285 H SER 43 H SER 43 -12.781 10.294 1.801 286 HA SER 43 HA SER 43 -15.020 10.995 0.221 287 1HB SER 43 1HB SER 43 -12.751 9.018 -0.382 288 2HB SER 43 2HB SER 43 -13.800 9.863 -1.610 289 HG SER 43 HG SER 43 -11.997 10.970 -1.550 290 H ASN 44 H ASN 44 -15.188 8.683 -1.491 291 HA ASN 44 HA ASN 44 -16.456 6.628 0.111 292 1HB ASN 44 1HB ASN 44 -18.028 8.458 -0.579 293 2HB ASN 44 2HB ASN 44 -17.557 8.219 -2.267 294 1HD2 ASN 44 1HD2 ASN 44 -18.814 6.264 0.561 295 2HD2 ASN 44 2HD2 ASN 44 -19.737 5.191 -0.439 296 HA PRO 45 HA PRO 45 -15.597 4.920 0.596 297 1HB PRO 45 1HB PRO 45 -13.510 3.096 0.625 298 2HB PRO 45 2HB PRO 45 -15.115 2.672 0.042 299 1HG PRO 45 1HG PRO 45 -12.707 3.551 -1.637 300 2HG PRO 45 2HG PRO 45 -13.765 2.126 -1.896 301 1HD PRO 45 1HD PRO 45 -14.146 4.518 -3.250 302 2HD PRO 45 2HD PRO 45 -15.564 3.504 -2.722 303 HA PRO 46 HA PRO 46 -12.439 7.742 1.768 304 1HB PRO 46 1HB PRO 46 -11.432 6.920 4.193 305 2HB PRO 46 2HB PRO 46 -13.156 7.441 4.020 306 1HG PRO 46 1HG PRO 46 -12.122 4.563 3.888 307 2HG PRO 46 2HG PRO 46 -13.413 5.261 4.969 308 1HD PRO 46 1HD PRO 46 -14.019 4.019 2.587 309 2HD PRO 46 2HD PRO 46 -14.918 5.582 3.106 310 H GLN 47 H GLN 47 -10.106 8.111 1.693 311 HA GLN 47 HA GLN 47 -9.205 5.895 -0.038 312 1HB GLN 47 1HB GLN 47 -8.732 8.902 -0.171 313 2HB GLN 47 2HB GLN 47 -7.910 7.738 -1.244 314 1HG GLN 47 1HG GLN 47 -10.971 7.964 -1.034 315 2HG GLN 47 2HG GLN 47 -9.967 8.836 -2.252 316 1HE2 GLN 47 1HE2 GLN 47 -11.333 5.769 -1.308 317 2HE2 GLN 47 2HE2 GLN 47 -10.776 4.829 -2.672 318 H CYS 48 H CYS 48 -8.301 4.613 1.549 319 HA CYS 48 HA CYS 48 -6.148 5.756 3.133 320 1HB CYS 48 1HB CYS 48 -7.380 2.975 3.068 321 2HB CYS 48 2HB CYS 48 -5.886 3.351 3.983 322 H GLN 49 H GLN 49 -4.229 6.043 2.490 323 HA GLN 49 HA GLN 49 -2.843 3.872 1.162 324 1HB GLN 49 1HB GLN 49 -3.924 6.176 -0.099 325 2HB GLN 49 2HB GLN 49 -2.185 6.547 0.019 326 1HG GLN 49 1HG GLN 49 -1.595 4.391 -1.124 327 2HG GLN 49 2HG GLN 49 -3.338 3.924 -1.203 328 1HE2 GLN 49 1HE2 GLN 49 -4.704 6.010 -2.166 329 2HE2 GLN 49 2HE2 GLN 49 -4.065 6.541 -3.690 330 H CYS 50 H CYS 50 -0.683 3.661 1.625 331 HA CYS 50 HA CYS 50 0.296 5.482 3.718 332 1HB CYS 50 1HB CYS 50 0.371 3.054 4.194 333 2HB CYS 50 2HB CYS 50 1.405 2.814 2.790 334 H TYR 51 H TYR 51 1.101 7.198 3.018 335 HA TYR 51 HA TYR 51 2.344 7.788 0.586 336 1HB TYR 51 1HB TYR 51 2.056 9.142 3.306 337 2HB TYR 51 2HB TYR 51 3.200 9.820 2.126 338 HD1 TYR 51 HD1 TYR 51 -0.377 8.343 1.505 339 HD2 TYR 51 HD2 TYR 51 2.194 11.867 1.432 340 HE1 TYR 51 HE1 TYR 51 -2.079 9.589 0.457 341 HE2 TYR 51 HE2 TYR 51 0.434 13.086 0.422 342 HH TYR 51 HH TYR 51 -1.615 12.858 -0.769 343 H ASP 52 H ASP 52 3.699 6.378 3.375 344 HA ASP 52 HA ASP 52 6.302 7.596 3.013 345 1HB ASP 52 1HB ASP 52 5.086 7.108 5.261 346 2HB ASP 52 2HB ASP 52 5.647 5.409 5.077 347 HD2 ASP 52 HD2 ASP 52 7.884 7.913 6.854 348 H THR 53 H THR 53 8.161 6.826 2.211 349 HA THR 53 HA THR 53 8.139 4.197 0.947 350 HB THR 53 HB THR 53 10.216 4.922 -0.215 351 HG1 THR 53 HG1 THR 53 10.643 6.539 1.462 352 1HG2 THR 53 1HG2 THR 53 8.047 5.096 -1.294 353 2HG2 THR 53 2HG2 THR 53 9.028 6.545 -1.703 354 3HG2 THR 53 3HG2 THR 53 7.698 6.670 -0.489 355 H HIS 54 H HIS 54 8.890 2.535 1.973 356 HA HIS 54 HA HIS 54 11.508 2.499 3.114 357 1HB HIS 54 1HB HIS 54 10.852 1.317 5.235 358 2HB HIS 54 2HB HIS 54 10.308 3.038 5.182 359 HD1 HIS 54 HD1 HIS 54 7.914 3.530 4.690 360 HD2 HIS 54 HD2 HIS 54 8.635 -0.471 5.668 361 HE1 HIS 54 HE1 HIS 54 5.679 2.492 5.147 362 HE2 HIS 54 HE2 HIS 54 6.133 0.056 5.778 363 H LYS 55 H LYS 55 8.499 0.506 2.780 364 HA LYS 55 HA LYS 55 9.904 -1.867 2.680 365 1HB LYS 55 1HB LYS 55 7.732 -2.873 2.648 366 2HB LYS 55 2HB LYS 55 7.567 -1.381 3.544 367 1HG LYS 55 1HG LYS 55 6.429 -0.251 1.658 368 2HG LYS 55 2HG LYS 55 6.860 -1.579 0.558 369 1HD LYS 55 1HD LYS 55 4.617 -1.899 0.950 370 2HD LYS 55 2HD LYS 55 5.388 -3.125 2.002 371 1HE LYS 55 1HE LYS 55 4.355 -0.346 2.963 372 2HE LYS 55 2HE LYS 55 3.381 -1.867 3.008 373 1HZ LYS 55 1HZ LYS 55 4.429 -1.429 5.112 374 2HZ LYS 55 2HZ LYS 55 5.968 -1.422 4.394 375 3HZ LYS 55 3HZ LYS 55 5.055 -2.847 4.424 376 H PHE 56 H PHE 56 8.792 -3.573 0.990 377 HA PHE 56 HA PHE 56 9.513 -2.846 -1.755 378 1HB PHE 56 1HB PHE 56 9.969 -5.422 -1.911 379 2HB PHE 56 2HB PHE 56 11.136 -4.456 -0.960 380 HD1 PHE 56 HD1 PHE 56 11.319 -4.699 1.457 381 HD2 PHE 56 HD2 PHE 56 8.191 -6.736 -0.675 382 HE1 PHE 56 HE1 PHE 56 10.763 -5.961 3.492 383 HE2 PHE 56 HE2 PHE 56 7.592 -7.953 1.377 384 HZ PHE 56 HZ PHE 56 8.891 -7.602 3.468 385 H CYS 57 H CYS 57 8.177 -4.838 -3.213 386 HA CYS 57 HA CYS 57 5.434 -4.089 -2.612 387 1HB CYS 57 1HB CYS 57 6.458 -4.026 -4.932 388 2HB CYS 57 2HB CYS 57 6.372 -5.807 -4.936 389 H TYR 58 H TYR 58 3.814 -5.305 -2.024 390 HA TYR 58 HA TYR 58 4.383 -8.034 -0.987 391 1HB TYR 58 1HB TYR 58 2.798 -5.641 0.002 392 2HB TYR 58 2HB TYR 58 2.083 -7.225 0.335 393 HD1 TYR 58 HD1 TYR 58 2.944 -8.679 2.001 394 HD2 TYR 58 HD2 TYR 58 5.182 -5.190 0.809 395 HE1 TYR 58 HE1 TYR 58 4.274 -8.897 3.955 396 HE2 TYR 58 HE2 TYR 58 6.537 -5.387 2.842 397 HH TYR 58 HH TYR 58 5.988 -8.088 5.193 398 H LYS 59 H LYS 59 2.732 -9.471 -0.751 399 HA LYS 59 HA LYS 59 0.726 -9.960 -2.614 400 1HB LYS 59 1HB LYS 59 1.137 -10.881 0.253 401 2HB LYS 59 2HB LYS 59 -0.118 -11.553 -0.839 402 1HG LYS 59 1HG LYS 59 1.655 -12.329 -2.438 403 2HG LYS 59 2HG LYS 59 2.922 -11.592 -1.417 404 1HD LYS 59 1HD LYS 59 1.994 -13.062 0.526 405 2HD LYS 59 2HD LYS 59 1.203 -14.028 -0.760 406 1HE LYS 59 1HE LYS 59 4.219 -13.399 -0.474 407 2HE LYS 59 2HE LYS 59 3.428 -14.984 -0.101 408 1HZ LYS 59 1HZ LYS 59 2.821 -15.164 -2.412 409 2HZ LYS 59 2HZ LYS 59 4.500 -14.974 -2.240 410 3HZ LYS 59 3HZ LYS 59 3.548 -13.671 -2.765 411 H ALA 60 H ALA 60 -1.613 -10.195 -2.050 412 HA ALA 60 HA ALA 60 -2.371 -7.459 -1.793 413 1HB ALA 60 1HB ALA 60 -4.139 -8.156 -3.390 414 2HB ALA 60 2HB ALA 60 -3.730 -9.888 -3.038 415 3HB ALA 60 3HB ALA 60 -2.546 -8.834 -3.864 416 H CYS 61 H CYS 61 -4.552 -6.804 -1.623 417 HA CYS 61 HA CYS 61 -5.732 -7.598 0.969 418 1HB CYS 61 1HB CYS 61 -5.029 -5.051 -0.176 419 2HB CYS 61 2HB CYS 61 -6.794 -5.087 -0.292 420 H HIS 62 H HIS 62 -5.947 -9.012 -1.443 421 HA HIS 62 HA HIS 62 -8.366 -8.162 -2.836 422 1HB HIS 62 1HB HIS 62 -6.445 -8.289 -4.178 423 2HB HIS 62 2HB HIS 62 -5.965 -9.892 -3.542 424 HD1 HIS 62 HD1 HIS 62 -9.360 -9.043 -4.913 425 HD2 HIS 62 HD2 HIS 62 -5.910 -11.129 -6.025 426 HE1 HIS 62 HE1 HIS 62 -9.894 -10.265 -7.050 427 HE2 HIS 62 HE2 HIS 62 -7.770 -11.476 -7.734 428 H ASN 63 H ASN 63 -9.183 -9.005 -0.590 429 HA ASN 63 HA ASN 63 -9.753 -11.721 -0.267 430 1HB ASN 63 1HB ASN 63 -11.530 -10.764 1.400 431 2HB ASN 63 2HB ASN 63 -9.784 -10.531 1.704 432 1HD2 ASN 63 1HD2 ASN 63 -9.581 -8.391 2.702 433 2HD2 ASN 63 2HD2 ASN 63 -10.337 -7.023 2.010 434 H SER 64 H SER 64 -11.638 -9.127 -1.550 435 HA SER 64 HA SER 64 -13.989 -10.824 -1.829 436 1HB SER 64 1HB SER 64 -13.661 -7.838 -2.369 437 2HB SER 64 2HB SER 64 -15.233 -8.720 -2.262 438 HG SER 64 HG SER 64 -13.248 -8.357 -0.214 439 H GLU 65 H GLU 65 -12.002 -9.017 -4.189 440 HA GLU 65 HA GLU 65 -13.819 -9.027 -6.259 441 1HB GLU 65 1HB GLU 65 -12.047 -7.483 -6.290 442 2HB GLU 65 2HB GLU 65 -10.831 -8.768 -6.127 443 1HG GLU 65 1HG GLU 65 -11.222 -9.505 -8.507 444 2HG GLU 65 2HG GLU 65 -12.486 -8.233 -8.681 445 HE2 GLU 65 HE2 GLU 65 -8.615 -7.121 -8.328 446 H ILE 66 H ILE 66 -11.792 -11.795 -5.489 447 HA ILE 66 HA ILE 66 -12.504 -13.106 -8.030 448 HB ILE 66 HB ILE 66 -11.147 -14.291 -5.583 449 1HG1 ILE 66 1HG1 ILE 66 -9.886 -13.807 -8.323 450 2HG1 ILE 66 2HG1 ILE 66 -9.940 -12.476 -7.158 451 1HG2 ILE 66 1HG2 ILE 66 -12.398 -16.041 -6.962 452 2HG2 ILE 66 2HG2 ILE 66 -10.626 -16.215 -7.088 453 3HG2 ILE 66 3HG2 ILE 66 -11.543 -15.450 -8.428 454 1HD1 ILE 66 1HD1 ILE 66 -7.775 -13.779 -7.013 455 2HD1 ILE 66 2HD1 ILE 66 -8.707 -15.248 -6.569 456 3HD1 ILE 66 3HD1 ILE 66 -8.689 -13.830 -5.460 457 H GLU 67 H GLU 67 -13.310 -13.803 -4.424 458 HA GLU 67 HA GLU 67 -15.928 -14.505 -5.215 459 1HB GLU 67 1HB GLU 67 -14.022 -16.621 -4.048 460 2HB GLU 67 2HB GLU 67 -15.808 -16.695 -3.839 461 1HG GLU 67 1HG GLU 67 -16.096 -16.737 -6.361 462 2HG GLU 67 2HG GLU 67 -14.301 -16.867 -6.501 463 HE2 GLU 67 HE2 GLU 67 -15.533 -18.603 -7.600 Start of MODEL 5 1 1H GLY 1 1H GLY 1 -9.098 -10.070 4.215 2 2H GLY 1 2H GLY 1 -10.088 -9.522 5.487 3 3H GLY 1 3H GLY 1 -9.781 -11.184 5.302 4 1HA GLY 1 1HA GLY 1 -7.430 -10.767 5.685 5 2HA GLY 1 2HA GLY 1 -7.896 -9.060 6.083 6 H ASP 2 H ASP 2 -7.599 -12.317 7.214 7 HA ASP 2 HA ASP 2 -8.489 -11.652 9.919 8 1HB ASP 2 1HB ASP 2 -9.844 -13.847 8.155 9 2HB ASP 2 2HB ASP 2 -10.123 -13.624 9.920 10 HD2 ASP 2 HD2 ASP 2 -12.130 -10.842 9.521 11 H ASP 3 H ASP 3 -6.011 -12.064 9.350 12 HA ASP 3 HA ASP 3 -5.410 -14.471 10.676 13 1HB ASP 3 1HB ASP 3 -5.646 -15.247 8.189 14 2HB ASP 3 2HB ASP 3 -4.127 -14.361 7.867 15 HD2 ASP 3 HD2 ASP 3 -2.507 -17.279 8.674 16 H VAL 4 H VAL 4 -3.640 -12.175 8.461 17 HA VAL 4 HA VAL 4 -1.830 -11.566 10.676 18 HB VAL 4 HB VAL 4 -1.087 -11.564 7.722 19 1HG1 VAL 4 1HG1 VAL 4 1.236 -11.732 8.713 20 2HG1 VAL 4 2HG1 VAL 4 0.532 -11.721 10.367 21 3HG1 VAL 4 3HG1 VAL 4 0.396 -10.271 9.313 22 1HG2 VAL 4 1HG2 VAL 4 -1.678 -13.919 8.155 23 2HG2 VAL 4 2HG2 VAL 4 -0.846 -13.870 9.760 24 3HG2 VAL 4 3HG2 VAL 4 0.108 -13.766 8.239 25 H LYS 5 H LYS 5 -1.528 -9.338 10.987 26 HA LYS 5 HA LYS 5 -3.232 -7.604 9.366 27 1HB LYS 5 1HB LYS 5 -1.763 -7.210 12.013 28 2HB LYS 5 2HB LYS 5 -2.905 -6.029 11.307 29 1HG LYS 5 1HG LYS 5 -4.774 -7.714 11.549 30 2HG LYS 5 2HG LYS 5 -3.614 -8.894 12.222 31 1HD LYS 5 1HD LYS 5 -2.998 -7.199 14.018 32 2HD LYS 5 2HD LYS 5 -4.378 -6.184 13.469 33 1HE LYS 5 1HE LYS 5 -5.958 -8.093 14.018 34 2HE LYS 5 2HE LYS 5 -4.537 -9.101 14.516 35 1HZ LYS 5 1HZ LYS 5 -5.552 -8.098 16.396 36 2HZ LYS 5 2HZ LYS 5 -5.411 -6.541 15.737 37 3HZ LYS 5 3HZ LYS 5 -4.016 -7.413 16.165 38 H SER 6 H SER 6 -0.515 -8.614 8.713 39 HA SER 6 HA SER 6 1.352 -6.525 8.477 40 1HB SER 6 1HB SER 6 2.492 -7.944 6.770 41 2HB SER 6 2HB SER 6 2.055 -8.833 8.255 42 HG SER 6 HG SER 6 1.594 -9.893 6.268 43 H ALA 7 H ALA 7 2.185 -5.650 6.327 44 HA ALA 7 HA ALA 7 0.249 -4.131 5.010 45 1HB ALA 7 1HB ALA 7 2.168 -3.620 3.445 46 2HB ALA 7 2HB ALA 7 3.052 -5.055 4.090 47 3HB ALA 7 3HB ALA 7 2.721 -3.652 5.156 48 H CYS 8 H CYS 8 -0.296 -4.165 2.658 49 HA CYS 8 HA CYS 8 -0.003 -6.734 1.345 50 1HB CYS 8 1HB CYS 8 -2.244 -7.228 0.927 51 2HB CYS 8 2HB CYS 8 -2.193 -6.875 2.674 52 H CYS 9 H CYS 9 -0.049 -6.544 -1.021 53 HA CYS 9 HA CYS 9 -0.867 -3.967 -2.005 54 1HB CYS 9 1HB CYS 9 1.529 -3.667 -1.101 55 2HB CYS 9 2HB CYS 9 2.060 -4.864 -2.314 56 H ASP 10 H ASP 10 -1.814 -4.266 -4.059 57 HA ASP 10 HA ASP 10 -0.908 -6.563 -5.605 58 1HB ASP 10 1HB ASP 10 -2.854 -6.042 -7.023 59 2HB ASP 10 2HB ASP 10 -3.271 -6.235 -5.313 60 HD2 ASP 10 HD2 ASP 10 -3.055 -3.996 -7.883 61 H THR 11 H THR 11 -0.416 -3.087 -5.628 62 HA THR 11 HA THR 11 1.079 -3.181 -8.135 63 HB THR 11 HB THR 11 -1.406 -1.419 -7.705 64 HG1 THR 11 HG1 THR 11 -1.043 -3.552 -9.571 65 1HG2 THR 11 1HG2 THR 11 0.326 -0.318 -9.152 66 2HG2 THR 11 2HG2 THR 11 -1.078 -0.821 -10.126 67 3HG2 THR 11 3HG2 THR 11 0.433 -1.800 -10.178 68 H CYS 12 H CYS 12 2.668 -1.626 -8.117 69 HA CYS 12 HA CYS 12 2.618 0.379 -6.034 70 1HB CYS 12 1HB CYS 12 4.531 -0.631 -4.922 71 2HB CYS 12 2HB CYS 12 3.176 -1.838 -5.054 72 H LEU 13 H LEU 13 3.841 2.035 -6.232 73 HA LEU 13 HA LEU 13 5.481 2.361 -8.613 74 1HB LEU 13 1HB LEU 13 3.896 4.127 -8.142 75 2HB LEU 13 2HB LEU 13 4.490 4.277 -6.453 76 HG LEU 13 HG LEU 13 6.820 4.901 -7.600 77 1HD1 LEU 13 1HD1 LEU 13 6.594 5.867 -9.892 78 2HD1 LEU 13 2HD1 LEU 13 4.861 5.370 -9.940 79 3HD1 LEU 13 3HD1 LEU 13 6.153 4.123 -9.923 80 1HD2 LEU 13 1HD2 LEU 13 6.117 7.279 -7.888 81 2HD2 LEU 13 2HD2 LEU 13 5.447 6.558 -6.382 82 3HD2 LEU 13 3HD2 LEU 13 4.390 6.781 -7.824 83 H CYS 14 H CYS 14 7.439 1.502 -8.406 84 HA CYS 14 HA CYS 14 8.858 1.837 -5.871 85 1HB CYS 14 1HB CYS 14 9.556 0.235 -8.350 86 2HB CYS 14 2HB CYS 14 10.720 0.565 -7.060 87 H THR 15 H THR 15 10.358 3.172 -5.428 88 HA THR 15 HA THR 15 11.107 5.206 -7.321 89 HB THR 15 HB THR 15 12.766 5.928 -5.635 90 HG1 THR 15 HG1 THR 15 11.443 4.179 -3.879 91 1HG2 THR 15 1HG2 THR 15 10.379 6.761 -5.735 92 2HG2 THR 15 2HG2 THR 15 11.026 6.747 -4.052 93 3HG2 THR 15 3HG2 THR 15 9.859 5.486 -4.590 94 H ARG 16 H ARG 16 13.013 5.528 -8.351 95 HA ARG 16 HA ARG 16 14.870 3.313 -8.570 96 1HB ARG 16 1HB ARG 16 14.810 6.013 -9.990 97 2HB ARG 16 2HB ARG 16 15.993 4.682 -10.286 98 1HG ARG 16 1HG ARG 16 14.150 3.138 -10.886 99 2HG ARG 16 2HG ARG 16 12.942 4.455 -10.655 100 1HD ARG 16 1HD ARG 16 14.079 5.769 -12.515 101 2HD ARG 16 2HD ARG 16 15.173 4.340 -12.796 102 HE ARG 16 HE ARG 16 12.357 3.552 -12.739 103 1HH1 ARG 16 1HH1 ARG 16 14.800 5.143 -14.791 104 2HH1 ARG 16 2HH1 ARG 16 13.879 4.955 -16.252 105 1HH2 ARG 16 1HH2 ARG 16 11.193 3.224 -14.712 106 2HH2 ARG 16 2HH2 ARG 16 11.843 3.791 -16.219 107 H SER 17 H SER 17 16.515 3.154 -7.113 108 HA SER 17 HA SER 17 17.893 5.258 -5.903 109 1HB SER 17 1HB SER 17 15.516 5.575 -4.824 110 2HB SER 17 2HB SER 17 15.792 4.002 -4.031 111 HG SER 17 HG SER 17 16.299 5.943 -2.841 112 H GLN 18 H GLN 18 18.741 4.190 -3.678 113 HA GLN 18 HA GLN 18 18.952 1.320 -3.829 114 1HB GLN 18 1HB GLN 18 20.674 2.517 -5.425 115 2HB GLN 18 2HB GLN 18 21.599 2.810 -3.940 116 1HG GLN 18 1HG GLN 18 20.620 0.065 -5.066 117 2HG GLN 18 2HG GLN 18 22.309 0.679 -5.109 118 1HE2 GLN 18 1HE2 GLN 18 23.032 1.421 -2.718 119 2HE2 GLN 18 2HE2 GLN 18 22.842 0.126 -1.546 120 HA PRO 19 HA PRO 19 18.383 0.001 -2.204 121 1HB PRO 19 1HB PRO 19 16.650 -0.197 -0.018 122 2HB PRO 19 2HB PRO 19 18.420 -0.652 0.094 123 1HG PRO 19 1HG PRO 19 17.149 2.061 0.800 124 2HG PRO 19 2HG PRO 19 18.165 1.012 1.867 125 1HD PRO 19 1HD PRO 19 19.289 3.056 0.409 126 2HD PRO 19 2HD PRO 19 20.156 1.458 0.516 127 HA PRO 20 HA PRO 20 14.805 2.218 -3.815 128 1HB PRO 20 1HB PRO 20 13.144 0.171 -4.591 129 2HB PRO 20 2HB PRO 20 14.744 0.442 -5.401 130 1HG PRO 20 1HG PRO 20 14.126 -1.508 -3.112 131 2HG PRO 20 2HG PRO 20 14.914 -1.882 -4.704 132 1HD PRO 20 1HD PRO 20 16.374 -1.334 -2.411 133 2HD PRO 20 2HD PRO 20 16.943 -0.758 -4.061 134 H THR 21 H THR 21 12.405 2.294 -3.512 135 HA THR 21 HA THR 21 11.330 1.360 -0.954 136 HB THR 21 HB THR 21 11.973 4.291 -1.681 137 HG1 THR 21 HG1 THR 21 13.004 2.426 -0.014 138 1HG2 THR 21 1HG2 THR 21 10.760 4.904 0.462 139 2HG2 THR 21 2HG2 THR 21 10.099 3.235 0.549 140 3HG2 THR 21 3HG2 THR 21 9.661 4.330 -0.817 141 H CYS 22 H CYS 22 9.067 1.238 -1.123 142 HA CYS 22 HA CYS 22 8.022 2.248 -3.715 143 1HB CYS 22 1HB CYS 22 7.742 -0.660 -2.802 144 2HB CYS 22 2HB CYS 22 7.164 0.028 -4.325 145 H ARG 23 H ARG 23 6.291 3.213 -3.521 146 HA ARG 23 HA ARG 23 4.411 3.011 -1.385 147 1HB ARG 23 1HB ARG 23 4.373 4.352 -4.134 148 2HB ARG 23 2HB ARG 23 3.016 4.458 -2.947 149 1HG ARG 23 1HG ARG 23 4.378 5.603 -1.319 150 2HG ARG 23 2HG ARG 23 5.868 5.412 -2.287 151 1HD ARG 23 1HD ARG 23 4.868 7.757 -2.524 152 2HD ARG 23 2HD ARG 23 5.031 6.860 -4.076 153 HE ARG 23 HE ARG 23 2.779 6.840 -4.356 154 1HH1 ARG 23 1HH1 ARG 23 3.302 7.829 -0.932 155 2HH1 ARG 23 2HH1 ARG 23 1.649 8.217 -0.684 156 1HH2 ARG 23 1HH2 ARG 23 0.675 7.315 -4.011 157 2HH2 ARG 23 2HH2 ARG 23 0.068 7.932 -2.510 158 H CYS 24 H CYS 24 2.475 1.905 -1.310 159 HA CYS 24 HA CYS 24 1.832 0.223 -3.654 160 1HB CYS 24 1HB CYS 24 1.641 -0.698 -1.219 161 2HB CYS 24 2HB CYS 24 0.184 0.333 -1.076 162 H VAL 25 H VAL 25 0.723 1.268 -5.278 163 HA VAL 25 HA VAL 25 -0.468 3.770 -4.762 164 HB VAL 25 HB VAL 25 -1.178 3.772 -7.141 165 1HG1 VAL 25 1HG1 VAL 25 0.861 4.896 -6.259 166 2HG1 VAL 25 2HG1 VAL 25 1.189 4.176 -7.876 167 3HG1 VAL 25 3HG1 VAL 25 1.794 3.360 -6.390 168 1HG2 VAL 25 1HG2 VAL 25 0.587 1.232 -7.317 169 2HG2 VAL 25 2HG2 VAL 25 -0.138 2.144 -8.663 170 3HG2 VAL 25 3HG2 VAL 25 -1.208 1.254 -7.543 171 H ASP 26 H ASP 26 -1.761 0.560 -4.976 172 HA ASP 26 HA ASP 26 -4.420 1.427 -5.485 173 1HB ASP 26 1HB ASP 26 -3.521 -0.880 -6.014 174 2HB ASP 26 2HB ASP 26 -3.654 -1.276 -4.255 175 HD2 ASP 26 HD2 ASP 26 -5.707 -1.114 -3.383 176 H VAL 27 H VAL 27 -5.669 2.614 -4.162 177 HA VAL 27 HA VAL 27 -5.097 2.633 -1.343 178 HB VAL 27 HB VAL 27 -6.367 4.511 -1.106 179 1HG1 VAL 27 1HG1 VAL 27 -5.454 6.030 -2.753 180 2HG1 VAL 27 2HG1 VAL 27 -5.315 4.737 -3.998 181 3HG1 VAL 27 3HG1 VAL 27 -4.252 4.700 -2.540 182 1HG2 VAL 27 1HG2 VAL 27 -7.925 5.383 -2.920 183 2HG2 VAL 27 2HG2 VAL 27 -8.496 3.882 -2.126 184 3HG2 VAL 27 3HG2 VAL 27 -7.753 3.804 -3.771 185 H ARG 28 H ARG 28 -6.604 2.391 0.365 186 HA ARG 28 HA ARG 28 -8.856 0.580 -0.313 187 1HB ARG 28 1HB ARG 28 -6.755 0.356 1.904 188 2HB ARG 28 2HB ARG 28 -8.310 -0.551 1.938 189 1HG ARG 28 1HG ARG 28 -7.055 -2.194 1.044 190 2HG ARG 28 2HG ARG 28 -7.537 -1.369 -0.487 191 1HD ARG 28 1HD ARG 28 -5.323 -0.063 -0.317 192 2HD ARG 28 2HD ARG 28 -4.895 -1.114 1.088 193 HE ARG 28 HE ARG 28 -5.751 -2.664 -1.273 194 1HH1 ARG 28 1HH1 ARG 28 -3.033 -0.991 0.285 195 2HH1 ARG 28 2HH1 ARG 28 -1.803 -1.800 -0.639 196 1HH2 ARG 28 1HH2 ARG 28 -4.119 -3.722 -2.545 197 2HH2 ARG 28 2HH2 ARG 28 -2.439 -3.377 -2.264 198 H GLU 29 H GLU 29 -10.225 0.242 1.643 199 HA GLU 29 HA GLU 29 -11.448 2.488 2.686 200 1HB GLU 29 1HB GLU 29 -11.354 -0.460 3.342 201 2HB GLU 29 2HB GLU 29 -12.408 0.668 4.264 202 1HG GLU 29 1HG GLU 29 -13.519 1.398 2.095 203 2HG GLU 29 2HG GLU 29 -12.534 0.197 1.187 204 HE2 GLU 29 HE2 GLU 29 -14.420 -2.458 2.195 205 H SER 30 H SER 30 -8.765 0.580 3.927 206 HA SER 30 HA SER 30 -8.371 2.527 6.055 207 1HB SER 30 1HB SER 30 -8.581 0.793 7.912 208 2HB SER 30 2HB SER 30 -10.104 0.908 6.985 209 HG SER 30 HG SER 30 -9.479 -1.255 7.316 210 H CYS 31 H CYS 31 -6.710 1.730 7.682 211 HA CYS 31 HA CYS 31 -4.280 0.985 6.256 212 1HB CYS 31 1HB CYS 31 -4.657 3.054 7.739 213 2HB CYS 31 2HB CYS 31 -4.708 1.932 9.154 214 H HIS 32 H HIS 32 -2.736 -0.671 7.122 215 HA HIS 32 HA HIS 32 -3.981 -2.696 8.874 216 1HB HIS 32 1HB HIS 32 -1.510 -2.897 7.045 217 2HB HIS 32 2HB HIS 32 -2.307 -4.261 7.910 218 HD1 HIS 32 HD1 HIS 32 -2.191 -2.543 4.825 219 HD2 HIS 32 HD2 HIS 32 -5.116 -4.716 6.879 220 HE1 HIS 32 HE1 HIS 32 -3.933 -3.142 3.148 221 HE2 HIS 32 HE2 HIS 32 -5.735 -4.456 4.408 222 H SER 33 H SER 33 -1.437 -3.776 9.966 223 HA SER 33 HA SER 33 -1.196 -1.894 12.028 224 1HB SER 33 1HB SER 33 0.445 -4.423 11.334 225 2HB SER 33 2HB SER 33 0.678 -3.488 12.861 226 HG SER 33 HG SER 33 -0.749 -5.279 13.051 227 H ALA 34 H ALA 34 1.508 -3.076 9.889 228 HA ALA 34 HA ALA 34 3.188 -1.086 11.045 229 1HB ALA 34 1HB ALA 34 3.909 -3.450 10.801 230 2HB ALA 34 2HB ALA 34 5.000 -2.342 9.901 231 3HB ALA 34 3HB ALA 34 3.770 -3.304 8.996 232 H CYS 35 H CYS 35 1.345 0.230 9.636 233 HA CYS 35 HA CYS 35 3.283 1.718 8.004 234 1HB CYS 35 1HB CYS 35 1.442 0.830 6.529 235 2HB CYS 35 2HB CYS 35 0.254 1.740 7.559 236 H ASP 36 H ASP 36 3.915 3.407 9.378 237 HA ASP 36 HA ASP 36 2.143 4.169 11.490 238 1HB ASP 36 1HB ASP 36 3.888 5.740 12.185 239 2HB ASP 36 2HB ASP 36 4.586 4.126 11.818 240 HD2 ASP 36 HD2 ASP 36 6.423 5.279 9.134 241 H LYS 37 H LYS 37 3.157 5.694 8.455 242 HA LYS 37 HA LYS 37 1.237 7.844 8.905 243 1HB LYS 37 1HB LYS 37 3.738 8.180 8.358 244 2HB LYS 37 2HB LYS 37 3.289 7.769 6.684 245 1HG LYS 37 1HG LYS 37 1.568 9.595 6.724 246 2HG LYS 37 2HG LYS 37 2.080 10.002 8.402 247 1HD LYS 37 1HD LYS 37 4.470 10.370 7.475 248 2HD LYS 37 2HD LYS 37 3.808 10.084 5.835 249 1HE LYS 37 1HE LYS 37 4.001 12.475 6.177 250 2HE LYS 37 2HE LYS 37 2.235 12.083 6.181 251 1HZ LYS 37 1HZ LYS 37 2.322 12.102 8.601 252 2HZ LYS 37 2HZ LYS 37 2.859 13.576 7.943 253 3HZ LYS 37 3HZ LYS 37 3.982 12.464 8.562 254 H CYS 38 H CYS 38 -0.488 6.216 8.575 255 HA CYS 38 HA CYS 38 -1.242 5.911 5.773 256 1HB CYS 38 1HB CYS 38 -2.221 5.099 8.506 257 2HB CYS 38 2HB CYS 38 -3.484 5.261 7.235 258 H VAL 39 H VAL 39 -2.018 7.654 4.674 259 HA VAL 39 HA VAL 39 -3.381 9.766 6.204 260 HB VAL 39 HB VAL 39 -1.908 9.729 3.540 261 1HG1 VAL 39 1HG1 VAL 39 -2.079 12.222 3.750 262 2HG1 VAL 39 2HG1 VAL 39 -3.140 12.014 5.203 263 3HG1 VAL 39 3HG1 VAL 39 -3.696 11.444 3.566 264 1HG2 VAL 39 1HG2 VAL 39 -1.132 10.825 6.319 265 2HG2 VAL 39 2HG2 VAL 39 -0.254 11.209 4.786 266 3HG2 VAL 39 3HG2 VAL 39 -0.292 9.504 5.398 267 H CYS 40 H CYS 40 -5.559 10.135 5.472 268 HA CYS 40 HA CYS 40 -6.396 8.657 3.095 269 1HB CYS 40 1HB CYS 40 -6.440 7.200 5.115 270 2HB CYS 40 2HB CYS 40 -7.602 8.329 5.885 271 H ALA 41 H ALA 41 -7.327 10.022 1.903 272 HA ALA 41 HA ALA 41 -8.682 12.351 2.909 273 1HB ALA 41 1HB ALA 41 -8.838 11.133 0.112 274 2HB ALA 41 2HB ALA 41 -7.682 12.404 0.655 275 3HB ALA 41 3HB ALA 41 -9.446 12.750 0.612 276 H TYR 42 H TYR 42 -10.885 12.845 2.804 277 HA TYR 42 HA TYR 42 -12.352 10.824 4.068 278 1HB TYR 42 1HB TYR 42 -13.902 12.858 4.496 279 2HB TYR 42 2HB TYR 42 -12.165 12.988 4.972 280 HD1 TYR 42 HD1 TYR 42 -11.608 15.271 4.833 281 HD2 TYR 42 HD2 TYR 42 -13.860 13.587 1.546 282 HE1 TYR 42 HE1 TYR 42 -11.476 17.385 3.611 283 HE2 TYR 42 HE2 TYR 42 -13.645 15.668 0.331 284 HH TYR 42 HH TYR 42 -12.775 17.766 0.302 285 H SER 43 H SER 43 -12.040 10.922 1.082 286 HA SER 43 HA SER 43 -14.381 11.413 -0.266 287 1HB SER 43 1HB SER 43 -12.276 9.333 -1.057 288 2HB SER 43 2HB SER 43 -13.370 10.280 -2.158 289 HG SER 43 HG SER 43 -11.435 11.226 -2.207 290 H ASN 44 H ASN 44 -15.180 9.506 -1.843 291 HA ASN 44 HA ASN 44 -15.961 7.176 -0.311 292 1HB ASN 44 1HB ASN 44 -17.605 9.016 0.045 293 2HB ASN 44 2HB ASN 44 -17.849 9.150 -1.713 294 1HD2 ASN 44 1HD2 ASN 44 -18.781 7.066 -2.810 295 2HD2 ASN 44 2HD2 ASN 44 -19.778 6.036 -1.847 296 HA PRO 45 HA PRO 45 -15.296 5.314 -0.651 297 1HB PRO 45 1HB PRO 45 -13.430 3.562 -1.670 298 2HB PRO 45 2HB PRO 45 -15.161 3.380 -2.001 299 1HG PRO 45 1HG PRO 45 -13.085 4.754 -3.777 300 2HG PRO 45 2HG PRO 45 -14.272 3.504 -4.263 301 1HD PRO 45 1HD PRO 45 -14.665 6.257 -4.579 302 2HD PRO 45 2HD PRO 45 -16.062 5.128 -4.277 303 HA PRO 46 HA PRO 46 -12.096 7.937 0.527 304 1HB PRO 46 1HB PRO 46 -11.042 6.847 2.806 305 2HB PRO 46 2HB PRO 46 -12.794 7.273 2.693 306 1HG PRO 46 1HG PRO 46 -11.521 4.546 2.125 307 2HG PRO 46 2HG PRO 46 -12.837 4.940 3.330 308 1HD PRO 46 1HD PRO 46 -13.402 4.032 0.770 309 2HD PRO 46 2HD PRO 46 -14.423 5.402 1.561 310 H GLN 47 H GLN 47 -9.652 8.280 0.935 311 HA GLN 47 HA GLN 47 -8.322 6.455 -0.997 312 1HB GLN 47 1HB GLN 47 -7.665 9.398 -0.450 313 2HB GLN 47 2HB GLN 47 -6.974 8.370 -1.742 314 1HG GLN 47 1HG GLN 47 -9.983 9.139 -1.576 315 2HG GLN 47 2HG GLN 47 -8.750 10.107 -2.450 316 1HE2 GLN 47 1HE2 GLN 47 -7.479 8.934 -4.181 317 2HE2 GLN 47 2HE2 GLN 47 -8.287 7.686 -5.088 318 H CYS 48 H CYS 48 -7.953 5.123 1.028 319 HA CYS 48 HA CYS 48 -6.032 6.339 2.857 320 1HB CYS 48 1HB CYS 48 -7.157 3.518 2.994 321 2HB CYS 48 2HB CYS 48 -6.027 4.278 4.157 322 H GLN 49 H GLN 49 -4.017 6.431 2.600 323 HA GLN 49 HA GLN 49 -2.661 4.499 0.853 324 1HB GLN 49 1HB GLN 49 -2.677 7.536 1.125 325 2HB GLN 49 2HB GLN 49 -1.272 6.712 0.330 326 1HG GLN 49 1HG GLN 49 -2.685 5.814 -1.451 327 2HG GLN 49 2HG GLN 49 -4.194 6.360 -0.631 328 1HE2 GLN 49 1HE2 GLN 49 -4.339 8.743 -0.188 329 2HE2 GLN 49 2HE2 GLN 49 -3.696 9.852 -1.374 330 H CYS 50 H CYS 50 -0.860 3.669 1.603 331 HA CYS 50 HA CYS 50 0.268 4.623 4.138 332 1HB CYS 50 1HB CYS 50 0.033 2.117 3.717 333 2HB CYS 50 2HB CYS 50 1.136 2.282 2.321 334 H TYR 51 H TYR 51 1.074 6.577 3.715 335 HA TYR 51 HA TYR 51 2.844 7.309 1.642 336 1HB TYR 51 1HB TYR 51 1.973 8.504 4.289 337 2HB TYR 51 2HB TYR 51 3.536 9.060 3.656 338 HD1 TYR 51 HD1 TYR 51 -0.091 8.587 2.644 339 HD2 TYR 51 HD2 TYR 51 3.630 10.609 1.759 340 HE1 TYR 51 HE1 TYR 51 -1.233 10.033 1.075 341 HE2 TYR 51 HE2 TYR 51 2.506 12.009 0.207 342 HH TYR 51 HH TYR 51 0.576 12.416 -0.951 343 H ASP 52 H ASP 52 3.450 6.143 4.890 344 HA ASP 52 HA ASP 52 6.330 6.365 4.391 345 1HB ASP 52 1HB ASP 52 4.762 5.845 6.948 346 2HB ASP 52 2HB ASP 52 6.503 5.465 6.839 347 HD2 ASP 52 HD2 ASP 52 7.074 8.650 7.816 348 H THR 53 H THR 53 7.351 4.964 3.395 349 HA THR 53 HA THR 53 7.163 2.157 4.005 350 HB THR 53 HB THR 53 5.592 2.309 2.137 351 HG1 THR 53 HG1 THR 53 6.700 1.043 0.625 352 1HG2 THR 53 1HG2 THR 53 6.313 3.215 -0.077 353 2HG2 THR 53 2HG2 THR 53 7.893 3.721 0.604 354 3HG2 THR 53 3HG2 THR 53 6.365 4.493 1.158 355 H HIS 54 H HIS 54 9.050 1.170 2.877 356 HA HIS 54 HA HIS 54 11.289 2.901 2.460 357 1HB HIS 54 1HB HIS 54 11.231 2.780 5.030 358 2HB HIS 54 2HB HIS 54 11.583 1.029 4.901 359 HD1 HIS 54 HD1 HIS 54 13.262 3.319 6.192 360 HD2 HIS 54 HD2 HIS 54 14.095 1.653 2.438 361 HE1 HIS 54 HE1 HIS 54 15.672 3.764 5.722 362 HE2 HIS 54 HE2 HIS 54 16.169 2.753 3.433 363 H LYS 55 H LYS 55 10.416 -0.443 3.403 364 HA LYS 55 HA LYS 55 12.324 -1.676 1.867 365 1HB LYS 55 1HB LYS 55 9.677 -2.480 3.161 366 2HB LYS 55 2HB LYS 55 10.807 -3.712 2.466 367 1HG LYS 55 1HG LYS 55 12.462 -3.319 4.101 368 2HG LYS 55 2HG LYS 55 11.827 -1.706 4.535 369 1HD LYS 55 1HD LYS 55 9.727 -2.806 5.468 370 2HD LYS 55 2HD LYS 55 10.503 -4.404 5.189 371 1HE LYS 55 1HE LYS 55 10.790 -3.677 7.552 372 2HE LYS 55 2HE LYS 55 12.397 -3.727 6.719 373 1HZ LYS 55 1HZ LYS 55 10.743 -1.283 7.140 374 2HZ LYS 55 2HZ LYS 55 12.276 -1.361 6.418 375 3HZ LYS 55 3HZ LYS 55 12.095 -1.743 8.063 376 H PHE 56 H PHE 56 9.266 -3.112 1.026 377 HA PHE 56 HA PHE 56 9.513 -2.258 -1.736 378 1HB PHE 56 1HB PHE 56 10.077 -4.649 -2.487 379 2HB PHE 56 2HB PHE 56 11.393 -3.792 -1.647 380 HD1 PHE 56 HD1 PHE 56 8.736 -6.390 -1.239 381 HD2 PHE 56 HD2 PHE 56 12.252 -4.577 0.473 382 HE1 PHE 56 HE1 PHE 56 8.876 -8.203 0.404 383 HE2 PHE 56 HE2 PHE 56 12.380 -6.388 2.124 384 HZ PHE 56 HZ PHE 56 10.698 -8.216 2.110 385 H CYS 57 H CYS 57 8.003 -4.114 -3.065 386 HA CYS 57 HA CYS 57 5.468 -3.457 -1.931 387 1HB CYS 57 1HB CYS 57 6.127 -5.159 -4.384 388 2HB CYS 57 2HB CYS 57 4.572 -4.329 -4.041 389 H TYR 58 H TYR 58 4.222 -4.706 -0.677 390 HA TYR 58 HA TYR 58 5.021 -7.320 0.049 391 1HB TYR 58 1HB TYR 58 3.325 -5.490 1.202 392 2HB TYR 58 2HB TYR 58 2.117 -6.583 0.452 393 HD1 TYR 58 HD1 TYR 58 1.637 -8.732 1.606 394 HD2 TYR 58 HD2 TYR 58 5.083 -6.383 2.686 395 HE1 TYR 58 HE1 TYR 58 1.995 -10.145 3.528 396 HE2 TYR 58 HE2 TYR 58 5.421 -7.775 4.632 397 HH TYR 58 HH TYR 58 4.730 -9.696 5.814 398 H LYS 59 H LYS 59 3.689 -9.166 0.021 399 HA LYS 59 HA LYS 59 2.704 -10.220 -2.360 400 1HB LYS 59 1HB LYS 59 2.175 -10.904 0.556 401 2HB LYS 59 2HB LYS 59 1.541 -11.888 -0.799 402 1HG LYS 59 1HG LYS 59 3.684 -12.572 -1.538 403 2HG LYS 59 2HG LYS 59 4.553 -11.295 -0.656 404 1HD LYS 59 1HD LYS 59 3.023 -13.528 0.808 405 2HD LYS 59 2HD LYS 59 4.739 -13.656 0.284 406 1HE LYS 59 1HE LYS 59 5.315 -11.593 1.627 407 2HE LYS 59 2HE LYS 59 3.621 -11.573 2.267 408 1HZ LYS 59 1HZ LYS 59 3.980 -13.718 3.212 409 2HZ LYS 59 2HZ LYS 59 5.205 -12.657 3.722 410 3HZ LYS 59 3HZ LYS 59 5.536 -13.827 2.536 411 H ALA 60 H ALA 60 0.547 -10.881 -2.948 412 HA ALA 60 HA ALA 60 -0.834 -8.501 -3.206 413 1HB ALA 60 1HB ALA 60 -1.615 -11.300 -4.092 414 2HB ALA 60 2HB ALA 60 -0.557 -10.157 -4.984 415 3HB ALA 60 3HB ALA 60 -2.302 -9.764 -4.751 416 H CYS 61 H CYS 61 -2.882 -7.906 -3.014 417 HA CYS 61 HA CYS 61 -4.177 -8.755 -0.518 418 1HB CYS 61 1HB CYS 61 -3.005 -6.404 -0.991 419 2HB CYS 61 2HB CYS 61 -4.492 -6.003 -1.862 420 H HIS 62 H HIS 62 -4.770 -10.118 -2.930 421 HA HIS 62 HA HIS 62 -7.496 -9.173 -3.577 422 1HB HIS 62 1HB HIS 62 -5.962 -11.565 -4.699 423 2HB HIS 62 2HB HIS 62 -7.624 -11.092 -5.134 424 HD1 HIS 62 HD1 HIS 62 -6.349 -11.108 -7.515 425 HD2 HIS 62 HD2 HIS 62 -5.527 -7.865 -4.982 426 HE1 HIS 62 HE1 HIS 62 -5.350 -9.295 -8.942 427 HE2 HIS 62 HE2 HIS 62 -4.837 -7.358 -7.404 428 H ASN 63 H ASN 63 -9.207 -10.014 -2.427 429 HA ASN 63 HA ASN 63 -9.512 -12.528 -1.593 430 1HB ASN 63 1HB ASN 63 -9.496 -12.397 0.905 431 2HB ASN 63 2HB ASN 63 -7.915 -12.543 0.095 432 1HD2 ASN 63 1HD2 ASN 63 -6.599 -10.422 -0.091 433 2HD2 ASN 63 2HD2 ASN 63 -6.791 -9.263 1.196 434 H SER 64 H SER 64 -11.148 -11.572 -2.880 435 HA SER 64 HA SER 64 -13.322 -10.600 -1.071 436 1HB SER 64 1HB SER 64 -12.725 -8.933 -2.857 437 2HB SER 64 2HB SER 64 -13.229 -10.134 -4.094 438 HG SER 64 HG SER 64 -14.820 -8.533 -3.310 439 H GLU 65 H GLU 65 -13.130 -12.893 -0.574 440 HA GLU 65 HA GLU 65 -13.839 -14.956 -2.213 441 1HB GLU 65 1HB GLU 65 -14.161 -16.279 -0.200 442 2HB GLU 65 2HB GLU 65 -12.779 -15.175 -0.035 443 1HG GLU 65 1HG GLU 65 -14.782 -13.630 1.168 444 2HG GLU 65 2HG GLU 65 -15.406 -15.273 1.487 445 HE2 GLU 65 HE2 GLU 65 -13.565 -12.927 2.650 446 H ILE 66 H ILE 66 -15.861 -12.624 -0.953 447 HA ILE 66 HA ILE 66 -18.264 -13.590 -2.268 448 HB ILE 66 HB ILE 66 -18.328 -12.981 0.751 449 1HG1 ILE 66 1HG1 ILE 66 -18.754 -15.731 -0.526 450 2HG1 ILE 66 2HG1 ILE 66 -17.253 -15.218 0.304 451 1HG2 ILE 66 1HG2 ILE 66 -20.473 -14.028 -1.234 452 2HG2 ILE 66 2HG2 ILE 66 -20.382 -12.334 -0.637 453 3HG2 ILE 66 3HG2 ILE 66 -20.717 -13.662 0.508 454 1HD1 ILE 66 1HD1 ILE 66 -18.584 -16.445 1.915 455 2HD1 ILE 66 2HD1 ILE 66 -20.021 -15.401 1.629 456 3HD1 ILE 66 3HD1 ILE 66 -18.545 -14.716 2.400 457 H GLU 67 H GLU 67 -17.200 -11.306 0.357 458 HA GLU 67 HA GLU 67 -17.279 -9.073 -1.394 459 1HB GLU 67 1HB GLU 67 -18.464 -9.174 1.465 460 2HB GLU 67 2HB GLU 67 -18.035 -7.663 0.596 461 1HG GLU 67 1HG GLU 67 -19.798 -8.151 -1.147 462 2HG GLU 67 2HG GLU 67 -20.255 -9.649 -0.260 463 HE2 GLU 67 HE2 GLU 67 -22.510 -7.048 0.809 Start of MODEL 6 1 1H GLY 1 1H GLY 1 -1.984 -21.641 5.384 2 2H GLY 1 2H GLY 1 -3.031 -20.465 4.751 3 3H GLY 1 3H GLY 1 -1.770 -20.006 5.792 4 1HA GLY 1 1HA GLY 1 -0.145 -20.725 4.221 5 2HA GLY 1 2HA GLY 1 -1.500 -21.144 3.092 6 H ASP 2 H ASP 2 -3.084 -19.270 2.751 7 HA ASP 2 HA ASP 2 -2.099 -16.570 3.081 8 1HB ASP 2 1HB ASP 2 -2.344 -17.909 0.297 9 2HB ASP 2 2HB ASP 2 -2.478 -16.123 0.510 10 HD2 ASP 2 HD2 ASP 2 -0.859 -15.165 1.747 11 H ASP 3 H ASP 3 -3.976 -17.220 4.414 12 HA ASP 3 HA ASP 3 -6.383 -16.118 3.277 13 1HB ASP 3 1HB ASP 3 -7.784 -17.992 4.179 14 2HB ASP 3 2HB ASP 3 -6.761 -18.473 2.785 15 HD2 ASP 3 HD2 ASP 3 -6.557 -20.621 5.963 16 H VAL 4 H VAL 4 -5.156 -14.544 4.560 17 HA VAL 4 HA VAL 4 -5.736 -14.605 7.395 18 HB VAL 4 HB VAL 4 -3.655 -15.780 7.143 19 1HG1 VAL 4 1HG1 VAL 4 -2.807 -14.975 4.962 20 2HG1 VAL 4 2HG1 VAL 4 -1.586 -14.648 6.225 21 3HG1 VAL 4 3HG1 VAL 4 -2.602 -13.306 5.611 22 1HG2 VAL 4 1HG2 VAL 4 -3.919 -14.237 9.127 23 2HG2 VAL 4 2HG2 VAL 4 -3.090 -12.923 8.209 24 3HG2 VAL 4 3HG2 VAL 4 -2.206 -14.417 8.633 25 H LYS 5 H LYS 5 -5.766 -12.495 8.293 26 HA LYS 5 HA LYS 5 -6.042 -10.357 6.364 27 1HB LYS 5 1HB LYS 5 -6.617 -10.593 9.352 28 2HB LYS 5 2HB LYS 5 -6.838 -9.067 8.445 29 1HG LYS 5 1HG LYS 5 -8.306 -11.703 7.796 30 2HG LYS 5 2HG LYS 5 -8.952 -10.341 8.766 31 1HD LYS 5 1HD LYS 5 -9.776 -9.495 6.848 32 2HD LYS 5 2HD LYS 5 -8.112 -8.981 6.492 33 1HE LYS 5 1HE LYS 5 -9.005 -10.067 4.501 34 2HE LYS 5 2HE LYS 5 -7.803 -11.224 5.202 35 1HZ LYS 5 1HZ LYS 5 -10.745 -11.302 5.607 36 2HZ LYS 5 2HZ LYS 5 -9.616 -12.411 6.215 37 3HZ LYS 5 3HZ LYS 5 -9.854 -12.278 4.538 38 H SER 6 H SER 6 -3.663 -11.203 6.364 39 HA SER 6 HA SER 6 -1.694 -9.583 7.654 40 1HB SER 6 1HB SER 6 -0.153 -10.278 5.827 41 2HB SER 6 2HB SER 6 -1.096 -11.659 6.451 42 HG SER 6 HG SER 6 -1.571 -10.191 4.047 43 H ALA 7 H ALA 7 -0.256 -7.983 6.299 44 HA ALA 7 HA ALA 7 -1.839 -5.939 5.104 45 1HB ALA 7 1HB ALA 7 1.165 -6.557 4.796 46 2HB ALA 7 2HB ALA 7 0.468 -5.579 6.130 47 3HB ALA 7 3HB ALA 7 0.374 -4.975 4.436 48 H CYS 8 H CYS 8 -1.856 -5.266 2.946 49 HA CYS 8 HA CYS 8 -1.330 -7.356 0.879 50 1HB CYS 8 1HB CYS 8 -3.640 -5.359 1.094 51 2HB CYS 8 2HB CYS 8 -3.216 -6.220 -0.414 52 H CYS 9 H CYS 9 -0.251 -6.595 -1.045 53 HA CYS 9 HA CYS 9 -0.312 -3.686 -1.454 54 1HB CYS 9 1HB CYS 9 1.800 -4.424 -0.173 55 2HB CYS 9 2HB CYS 9 2.241 -5.358 -1.628 56 H ASP 10 H ASP 10 -1.783 -4.067 -3.312 57 HA ASP 10 HA ASP 10 -0.934 -6.022 -5.284 58 1HB ASP 10 1HB ASP 10 -3.015 -5.006 -6.547 59 2HB ASP 10 2HB ASP 10 -3.227 -6.099 -5.211 60 HD2 ASP 10 HD2 ASP 10 -4.904 -2.615 -5.074 61 H THR 11 H THR 11 -1.955 -2.664 -5.928 62 HA THR 11 HA THR 11 0.153 -2.358 -7.840 63 HB THR 11 HB THR 11 -1.579 -0.161 -6.620 64 HG1 THR 11 HG1 THR 11 -2.999 -0.638 -8.300 65 1HG2 THR 11 1HG2 THR 11 -0.434 -0.490 -9.485 66 2HG2 THR 11 2HG2 THR 11 0.399 0.468 -8.227 67 3HG2 THR 11 3HG2 THR 11 -1.236 0.956 -8.785 68 H CYS 12 H CYS 12 2.152 -1.568 -7.571 69 HA CYS 12 HA CYS 12 2.964 -0.218 -5.133 70 1HB CYS 12 1HB CYS 12 2.781 -2.743 -4.731 71 2HB CYS 12 2HB CYS 12 3.980 -2.961 -6.061 72 H LEU 13 H LEU 13 5.063 0.600 -5.245 73 HA LEU 13 HA LEU 13 6.402 0.560 -7.849 74 1HB LEU 13 1HB LEU 13 4.462 2.113 -7.958 75 2HB LEU 13 2HB LEU 13 5.000 2.983 -6.518 76 HG LEU 13 HG LEU 13 6.968 2.712 -8.837 77 1HD1 LEU 13 1HD1 LEU 13 4.472 4.487 -9.110 78 2HD1 LEU 13 2HD1 LEU 13 4.811 2.970 -10.026 79 3HD1 LEU 13 3HD1 LEU 13 5.876 4.404 -10.238 80 1HD2 LEU 13 1HD2 LEU 13 6.091 5.191 -7.219 81 2HD2 LEU 13 2HD2 LEU 13 7.456 5.096 -8.392 82 3HD2 LEU 13 3HD2 LEU 13 7.533 4.164 -6.851 83 H CYS 14 H CYS 14 8.449 1.412 -7.770 84 HA CYS 14 HA CYS 14 9.630 1.911 -5.155 85 1HB CYS 14 1HB CYS 14 9.641 -0.607 -6.615 86 2HB CYS 14 2HB CYS 14 11.252 0.079 -6.824 87 H THR 15 H THR 15 11.548 2.975 -5.203 88 HA THR 15 HA THR 15 11.766 4.687 -7.537 89 HB THR 15 HB THR 15 13.522 5.901 -6.347 90 HG1 THR 15 HG1 THR 15 13.229 5.066 -3.920 91 1HG2 THR 15 1HG2 THR 15 10.992 5.284 -4.639 92 2HG2 THR 15 2HG2 THR 15 11.033 6.350 -6.085 93 3HG2 THR 15 3HG2 THR 15 11.973 6.795 -4.616 94 H ARG 16 H ARG 16 13.554 5.108 -8.865 95 HA ARG 16 HA ARG 16 15.574 3.039 -9.073 96 1HB ARG 16 1HB ARG 16 15.250 5.698 -10.537 97 2HB ARG 16 2HB ARG 16 16.610 4.546 -10.783 98 1HG ARG 16 1HG ARG 16 15.014 2.777 -11.474 99 2HG ARG 16 2HG ARG 16 13.658 3.947 -11.302 100 1HD ARG 16 1HD ARG 16 14.886 5.455 -13.038 101 2HD ARG 16 2HD ARG 16 16.046 4.089 -13.275 102 HE ARG 16 HE ARG 16 14.353 2.824 -14.326 103 1HH1 ARG 16 1HH1 ARG 16 12.963 5.839 -13.007 104 2HH1 ARG 16 2HH1 ARG 16 11.390 5.558 -13.690 105 1HH2 ARG 16 1HH2 ARG 16 12.251 2.470 -15.201 106 2HH2 ARG 16 2HH2 ARG 16 10.975 3.616 -14.935 107 H SER 17 H SER 17 17.034 3.034 -7.425 108 HA SER 17 HA SER 17 18.583 5.254 -6.656 109 1HB SER 17 1HB SER 17 16.235 5.849 -5.641 110 2HB SER 17 2HB SER 17 16.454 4.433 -4.574 111 HG SER 17 HG SER 17 17.147 6.505 -3.702 112 H GLN 18 H GLN 18 18.891 4.428 -3.984 113 HA GLN 18 HA GLN 18 19.951 1.694 -4.130 114 1HB GLN 18 1HB GLN 18 21.540 3.173 -5.335 115 2HB GLN 18 2HB GLN 18 21.557 4.297 -3.950 116 1HG GLN 18 1HG GLN 18 22.621 2.477 -2.504 117 2HG GLN 18 2HG GLN 18 22.631 1.371 -3.927 118 1HE2 GLN 18 1HE2 GLN 18 23.893 2.156 -5.854 119 2HE2 GLN 18 2HE2 GLN 18 25.294 3.172 -5.563 120 HA PRO 19 HA PRO 19 18.999 0.292 -2.964 121 1HB PRO 19 1HB PRO 19 17.379 -0.728 -0.988 122 2HB PRO 19 2HB PRO 19 19.203 -0.798 -0.850 123 1HG PRO 19 1HG PRO 19 17.324 1.322 0.344 124 2HG PRO 19 2HG PRO 19 18.559 0.337 1.226 125 1HD PRO 19 1HD PRO 19 19.062 2.884 0.244 126 2HD PRO 19 2HD PRO 19 20.363 1.609 0.249 127 HA PRO 20 HA PRO 20 15.220 2.241 -4.294 128 1HB PRO 20 1HB PRO 20 13.618 0.168 -5.165 129 2HB PRO 20 2HB PRO 20 15.143 0.651 -5.999 130 1HG PRO 20 1HG PRO 20 14.813 -1.590 -3.937 131 2HG PRO 20 2HG PRO 20 15.563 -1.691 -5.588 132 1HD PRO 20 1HD PRO 20 17.086 -1.309 -3.319 133 2HD PRO 20 2HD PRO 20 17.489 -0.424 -4.871 134 H THR 21 H THR 21 13.824 3.251 -3.038 135 HA THR 21 HA THR 21 12.611 2.010 -0.688 136 HB THR 21 HB THR 21 11.405 4.354 -0.635 137 HG1 THR 21 HG1 THR 21 12.648 5.929 -1.557 138 1HG2 THR 21 1HG2 THR 21 14.448 4.059 -0.187 139 2HG2 THR 21 2HG2 THR 21 13.156 3.513 0.955 140 3HG2 THR 21 3HG2 THR 21 13.359 5.265 0.600 141 H CYS 22 H CYS 22 10.294 1.873 -0.369 142 HA CYS 22 HA CYS 22 8.868 1.628 -2.960 143 1HB CYS 22 1HB CYS 22 10.213 -0.543 -1.580 144 2HB CYS 22 2HB CYS 22 8.490 -0.800 -1.345 145 H ARG 23 H ARG 23 6.698 0.975 -2.797 146 HA ARG 23 HA ARG 23 5.228 1.902 -0.483 147 1HB ARG 23 1HB ARG 23 6.580 3.893 -1.428 148 2HB ARG 23 2HB ARG 23 5.704 3.664 -2.962 149 1HG ARG 23 1HG ARG 23 3.551 4.187 -1.778 150 2HG ARG 23 2HG ARG 23 4.470 4.460 -0.242 151 1HD ARG 23 1HD ARG 23 5.753 6.313 -1.379 152 2HD ARG 23 2HD ARG 23 4.823 5.963 -2.915 153 HE ARG 23 HE ARG 23 3.087 6.439 -0.600 154 1HH1 ARG 23 1HH1 ARG 23 5.020 8.125 -3.095 155 2HH1 ARG 23 2HH1 ARG 23 4.053 9.553 -3.065 156 1HH2 ARG 23 1HH2 ARG 23 1.783 8.223 -0.635 157 2HH2 ARG 23 2HH2 ARG 23 2.119 9.627 -1.607 158 H CYS 24 H CYS 24 3.213 1.246 -0.696 159 HA CYS 24 HA CYS 24 2.191 0.188 -3.233 160 1HB CYS 24 1HB CYS 24 0.732 0.438 -0.550 161 2HB CYS 24 2HB CYS 24 0.293 -0.645 -1.916 162 H VAL 25 H VAL 25 0.150 1.038 -4.011 163 HA VAL 25 HA VAL 25 -0.474 3.867 -3.677 164 HB VAL 25 HB VAL 25 0.382 4.214 -6.050 165 1HG1 VAL 25 1HG1 VAL 25 2.756 4.496 -5.640 166 2HG1 VAL 25 2HG1 VAL 25 2.753 3.343 -4.286 167 3HG1 VAL 25 3HG1 VAL 25 1.894 4.932 -4.103 168 1HG2 VAL 25 1HG2 VAL 25 2.055 2.550 -6.956 169 2HG2 VAL 25 2HG2 VAL 25 0.430 1.810 -6.757 170 3HG2 VAL 25 3HG2 VAL 25 1.719 1.473 -5.550 171 H ASP 26 H ASP 26 -1.947 1.597 -3.411 172 HA ASP 26 HA ASP 26 -4.057 2.359 -5.236 173 1HB ASP 26 1HB ASP 26 -3.632 -0.026 -5.781 174 2HB ASP 26 2HB ASP 26 -3.506 -0.428 -4.026 175 HD2 ASP 26 HD2 ASP 26 -7.233 0.585 -4.941 176 H VAL 27 H VAL 27 -5.710 3.226 -3.964 177 HA VAL 27 HA VAL 27 -5.086 3.568 -1.151 178 HB VAL 27 HB VAL 27 -6.631 5.232 -1.002 179 1HG1 VAL 27 1HG1 VAL 27 -5.818 6.806 -2.663 180 2HG1 VAL 27 2HG1 VAL 27 -5.501 5.498 -3.862 181 3HG1 VAL 27 3HG1 VAL 27 -4.501 5.610 -2.369 182 1HG2 VAL 27 1HG2 VAL 27 -7.794 4.188 -3.664 183 2HG2 VAL 27 2HG2 VAL 27 -8.173 5.815 -2.985 184 3HG2 VAL 27 3HG2 VAL 27 -8.623 4.333 -2.059 185 H ARG 28 H ARG 28 -6.202 2.875 0.555 186 HA ARG 28 HA ARG 28 -8.266 0.798 -0.033 187 1HB ARG 28 1HB ARG 28 -6.008 0.909 2.006 188 2HB ARG 28 2HB ARG 28 -7.431 -0.176 2.239 189 1HG ARG 28 1HG ARG 28 -5.672 -1.493 1.376 190 2HG ARG 28 2HG ARG 28 -6.963 -1.354 0.122 191 1HD ARG 28 1HD ARG 28 -5.624 0.217 -1.190 192 2HD ARG 28 2HD ARG 28 -4.368 0.345 0.097 193 HE ARG 28 HE ARG 28 -4.903 -1.904 -1.810 194 1HH1 ARG 28 1HH1 ARG 28 -3.085 -0.792 1.068 195 2HH1 ARG 28 2HH1 ARG 28 -1.929 -2.085 0.991 196 1HH2 ARG 28 1HH2 ARG 28 -3.391 -3.618 -1.862 197 2HH2 ARG 28 2HH2 ARG 28 -2.109 -3.705 -0.683 198 H GLU 29 H GLU 29 -9.712 0.355 1.752 199 HA GLU 29 HA GLU 29 -11.113 2.497 2.779 200 1HB GLU 29 1HB GLU 29 -10.850 -0.443 3.396 201 2HB GLU 29 2HB GLU 29 -11.984 0.552 4.363 202 1HG GLU 29 1HG GLU 29 -13.263 1.239 2.353 203 2HG GLU 29 2HG GLU 29 -12.112 0.372 1.271 204 HE2 GLU 29 HE2 GLU 29 -14.924 -1.596 3.264 205 H SER 30 H SER 30 -8.343 0.980 4.029 206 HA SER 30 HA SER 30 -8.317 2.642 6.434 207 1HB SER 30 1HB SER 30 -8.441 -0.456 6.499 208 2HB SER 30 2HB SER 30 -7.941 0.510 7.925 209 HG SER 30 HG SER 30 -10.108 -0.069 7.986 210 H CYS 31 H CYS 31 -6.438 2.050 7.869 211 HA CYS 31 HA CYS 31 -4.024 1.751 6.277 212 1HB CYS 31 1HB CYS 31 -4.534 3.447 8.218 213 2HB CYS 31 2HB CYS 31 -4.262 2.028 9.320 214 H HIS 32 H HIS 32 -2.285 0.240 7.047 215 HA HIS 32 HA HIS 32 -3.151 -1.882 8.842 216 1HB HIS 32 1HB HIS 32 -3.071 -2.893 6.541 217 2HB HIS 32 2HB HIS 32 -1.313 -2.425 6.459 218 HD1 HIS 32 HD1 HIS 32 -3.782 -4.831 7.653 219 HD2 HIS 32 HD2 HIS 32 0.270 -4.135 8.473 220 HE1 HIS 32 HE1 HIS 32 -2.935 -6.839 8.850 221 HE2 HIS 32 HE2 HIS 32 -0.458 -6.409 9.342 222 H SER 33 H SER 33 -1.501 -2.459 10.211 223 HA SER 33 HA SER 33 0.068 -0.474 11.146 224 1HB SER 33 1HB SER 33 0.507 -3.493 11.605 225 2HB SER 33 2HB SER 33 1.005 -2.178 12.734 226 HG SER 33 HG SER 33 -0.865 -2.720 13.530 227 H ALA 34 H ALA 34 0.981 -1.910 8.361 228 HA ALA 34 HA ALA 34 3.828 -2.013 8.790 229 1HB ALA 34 1HB ALA 34 3.834 -2.671 6.353 230 2HB ALA 34 2HB ALA 34 2.064 -2.311 6.268 231 3HB ALA 34 3HB ALA 34 2.667 -3.672 7.280 232 H CYS 35 H CYS 35 1.544 0.401 8.153 233 HA CYS 35 HA CYS 35 3.390 2.071 6.584 234 1HB CYS 35 1HB CYS 35 1.091 1.685 5.671 235 2HB CYS 35 2HB CYS 35 0.408 2.380 7.208 236 H ASP 36 H ASP 36 4.101 4.082 7.359 237 HA ASP 36 HA ASP 36 3.770 4.547 10.204 238 1HB ASP 36 1HB ASP 36 5.995 4.698 8.988 239 2HB ASP 36 2HB ASP 36 5.386 6.112 8.097 240 HD2 ASP 36 HD2 ASP 36 5.748 8.242 10.713 241 H LYS 37 H LYS 37 2.907 6.354 7.166 242 HA LYS 37 HA LYS 37 1.186 8.081 8.794 243 1HB LYS 37 1HB LYS 37 3.402 9.127 7.935 244 2HB LYS 37 2HB LYS 37 2.777 8.875 6.304 245 1HG LYS 37 1HG LYS 37 2.199 11.111 6.774 246 2HG LYS 37 2HG LYS 37 0.666 10.234 7.073 247 1HD LYS 37 1HD LYS 37 1.173 10.246 9.566 248 2HD LYS 37 2HD LYS 37 2.740 11.029 9.216 249 1HE LYS 37 1HE LYS 37 1.226 12.758 9.997 250 2HE LYS 37 2HE LYS 37 1.471 13.033 8.229 251 1HZ LYS 37 1HZ LYS 37 -0.821 11.619 9.489 252 2HZ LYS 37 2HZ LYS 37 -0.616 11.921 7.826 253 3HZ LYS 37 3HZ LYS 37 -0.819 13.215 8.906 254 H CYS 38 H CYS 38 -0.670 6.891 8.387 255 HA CYS 38 HA CYS 38 -1.568 6.539 5.629 256 1HB CYS 38 1HB CYS 38 -2.360 5.703 8.408 257 2HB CYS 38 2HB CYS 38 -3.676 5.732 7.183 258 H VAL 39 H VAL 39 -2.334 8.353 4.587 259 HA VAL 39 HA VAL 39 -3.987 10.207 6.161 260 HB VAL 39 HB VAL 39 -2.592 10.378 3.486 261 1HG1 VAL 39 1HG1 VAL 39 -4.168 12.435 5.155 262 2HG1 VAL 39 2HG1 VAL 39 -4.587 11.828 3.494 263 3HG1 VAL 39 3HG1 VAL 39 -3.109 12.831 3.747 264 1HG2 VAL 39 1HG2 VAL 39 -1.987 11.568 6.271 265 2HG2 VAL 39 2HG2 VAL 39 -1.154 12.053 4.755 266 3HG2 VAL 39 3HG2 VAL 39 -0.968 10.365 5.380 267 H CYS 40 H CYS 40 -6.098 9.380 6.086 268 HA CYS 40 HA CYS 40 -7.098 8.297 3.580 269 1HB CYS 40 1HB CYS 40 -8.417 8.564 6.272 270 2HB CYS 40 2HB CYS 40 -9.032 7.651 4.888 271 H ALA 41 H ALA 41 -7.898 9.579 2.109 272 HA ALA 41 HA ALA 41 -9.175 12.068 2.841 273 1HB ALA 41 1HB ALA 41 -9.914 12.326 0.579 274 2HB ALA 41 2HB ALA 41 -9.507 10.612 0.187 275 3HB ALA 41 3HB ALA 41 -8.196 11.788 0.575 276 H TYR 42 H TYR 42 -11.389 12.583 2.705 277 HA TYR 42 HA TYR 42 -12.814 10.803 4.317 278 1HB TYR 42 1HB TYR 42 -14.377 12.839 4.487 279 2HB TYR 42 2HB TYR 42 -12.648 13.047 4.944 280 HD1 TYR 42 HD1 TYR 42 -15.021 13.480 2.028 281 HD2 TYR 42 HD2 TYR 42 -11.309 14.694 3.859 282 HE1 TYR 42 HE1 TYR 42 -14.790 15.288 0.385 283 HE2 TYR 42 HE2 TYR 42 -11.090 16.491 2.225 284 HH TYR 42 HH TYR 42 -13.621 17.080 -0.279 285 H SER 43 H SER 43 -12.675 10.604 1.319 286 HA SER 43 HA SER 43 -15.031 10.709 -0.046 287 1HB SER 43 1HB SER 43 -12.636 8.807 -0.339 288 2HB SER 43 2HB SER 43 -13.779 9.202 -1.675 289 HG SER 43 HG SER 43 -11.898 10.467 -1.759 290 H ASN 44 H ASN 44 -15.422 8.384 -1.437 291 HA ASN 44 HA ASN 44 -16.444 6.385 0.418 292 1HB ASN 44 1HB ASN 44 -18.106 8.168 -0.153 293 2HB ASN 44 2HB ASN 44 -17.889 7.835 -1.879 294 1HD2 ASN 44 1HD2 ASN 44 -18.545 5.509 -2.609 295 2HD2 ASN 44 2HD2 ASN 44 -19.833 4.767 -1.736 296 HA PRO 45 HA PRO 45 -15.607 4.597 0.775 297 1HB PRO 45 1HB PRO 45 -13.600 2.688 0.516 298 2HB PRO 45 2HB PRO 45 -15.295 2.326 0.169 299 1HG PRO 45 1HG PRO 45 -13.146 3.188 -1.852 300 2HG PRO 45 2HG PRO 45 -14.210 1.737 -1.949 301 1HD PRO 45 1HD PRO 45 -14.885 4.045 -3.250 302 2HD PRO 45 2HD PRO 45 -16.174 3.111 -2.379 303 HA PRO 46 HA PRO 46 -12.443 7.434 1.513 304 1HB PRO 46 1HB PRO 46 -11.180 6.711 3.854 305 2HB PRO 46 2HB PRO 46 -12.930 7.190 3.795 306 1HG PRO 46 1HG PRO 46 -11.789 4.361 3.701 307 2HG PRO 46 2HG PRO 46 -13.046 5.029 4.833 308 1HD PRO 46 1HD PRO 46 -13.715 3.652 2.537 309 2HD PRO 46 2HD PRO 46 -14.686 5.169 3.058 310 H GLN 47 H GLN 47 -10.155 7.974 1.434 311 HA GLN 47 HA GLN 47 -8.805 5.846 -0.146 312 1HB GLN 47 1HB GLN 47 -8.662 8.877 -0.546 313 2HB GLN 47 2HB GLN 47 -7.839 7.628 -1.526 314 1HG GLN 47 1HG GLN 47 -10.060 6.740 -2.315 315 2HG GLN 47 2HG GLN 47 -10.916 7.878 -1.232 316 1HE2 GLN 47 1HE2 GLN 47 -8.274 8.200 -3.766 317 2HE2 GLN 47 2HE2 GLN 47 -9.059 9.504 -4.577 318 H CYS 48 H CYS 48 -7.760 5.002 1.611 319 HA CYS 48 HA CYS 48 -5.877 6.704 3.045 320 1HB CYS 48 1HB CYS 48 -6.277 3.711 3.293 321 2HB CYS 48 2HB CYS 48 -5.294 4.783 4.367 322 H GLN 49 H GLN 49 -4.073 7.322 2.233 323 HA GLN 49 HA GLN 49 -2.527 5.447 0.590 324 1HB GLN 49 1HB GLN 49 -2.684 8.486 0.778 325 2HB GLN 49 2HB GLN 49 -1.217 7.688 0.078 326 1HG GLN 49 1HG GLN 49 -2.727 6.461 -1.567 327 2HG GLN 49 2HG GLN 49 -4.099 7.498 -1.010 328 1HE2 GLN 49 1HE2 GLN 49 -3.348 9.963 -0.929 329 2HE2 GLN 49 2HE2 GLN 49 -2.497 10.514 -2.367 330 H CYS 50 H CYS 50 -0.461 5.042 1.078 331 HA CYS 50 HA CYS 50 0.444 5.793 3.780 332 1HB CYS 50 1HB CYS 50 0.481 3.314 2.932 333 2HB CYS 50 2HB CYS 50 1.774 3.827 1.809 334 H TYR 51 H TYR 51 1.038 7.842 3.599 335 HA TYR 51 HA TYR 51 2.491 8.960 1.480 336 1HB TYR 51 1HB TYR 51 1.608 9.891 4.209 337 2HB TYR 51 2HB TYR 51 3.040 10.735 3.546 338 HD1 TYR 51 HD1 TYR 51 2.878 12.089 1.428 339 HD2 TYR 51 HD2 TYR 51 -0.502 9.747 2.776 340 HE1 TYR 51 HE1 TYR 51 1.524 13.064 -0.270 341 HE2 TYR 51 HE2 TYR 51 -1.889 10.805 1.105 342 HH TYR 51 HH TYR 51 -0.493 13.050 -1.346 343 H ASP 52 H ASP 52 3.656 7.437 4.283 344 HA ASP 52 HA ASP 52 6.447 8.161 3.603 345 1HB ASP 52 1HB ASP 52 5.688 8.518 5.982 346 2HB ASP 52 2HB ASP 52 5.268 6.764 6.082 347 HD2 ASP 52 HD2 ASP 52 9.166 7.646 5.793 348 H THR 53 H THR 53 7.951 6.693 2.891 349 HA THR 53 HA THR 53 6.989 4.219 1.821 350 HB THR 53 HB THR 53 9.344 3.736 1.165 351 HG1 THR 53 HG1 THR 53 10.524 4.856 2.725 352 1HG2 THR 53 1HG2 THR 53 9.486 5.577 -0.485 353 2HG2 THR 53 2HG2 THR 53 8.365 6.596 0.477 354 3HG2 THR 53 3HG2 THR 53 7.770 5.084 -0.286 355 H HIS 54 H HIS 54 8.113 2.024 2.268 356 HA HIS 54 HA HIS 54 9.130 1.883 4.944 357 1HB HIS 54 1HB HIS 54 6.613 1.971 5.313 358 2HB HIS 54 2HB HIS 54 6.484 0.351 4.578 359 HD1 HIS 54 HD1 HIS 54 7.456 2.350 7.483 360 HD2 HIS 54 HD2 HIS 54 7.794 -1.703 6.467 361 HE1 HIS 54 HE1 HIS 54 8.034 1.121 9.576 362 HE2 HIS 54 HE2 HIS 54 8.235 -1.344 8.936 363 H LYS 55 H LYS 55 7.595 -0.715 2.954 364 HA LYS 55 HA LYS 55 10.040 -2.206 3.512 365 1HB LYS 55 1HB LYS 55 8.632 -4.147 3.815 366 2HB LYS 55 2HB LYS 55 7.973 -2.796 4.737 367 1HG LYS 55 1HG LYS 55 6.421 -2.469 2.552 368 2HG LYS 55 2HG LYS 55 6.814 -4.197 2.321 369 1HD LYS 55 1HD LYS 55 5.609 -2.989 4.911 370 2HD LYS 55 2HD LYS 55 4.662 -3.689 3.562 371 1HE LYS 55 1HE LYS 55 4.735 -5.367 5.243 372 2HE LYS 55 2HE LYS 55 5.843 -5.928 3.932 373 1HZ LYS 55 1HZ LYS 55 7.705 -5.236 5.256 374 2HZ LYS 55 2HZ LYS 55 6.701 -6.233 6.191 375 3HZ LYS 55 3HZ LYS 55 6.696 -4.556 6.437 376 H PHE 56 H PHE 56 8.998 -4.374 1.714 377 HA PHE 56 HA PHE 56 9.763 -3.231 -0.883 378 1HB PHE 56 1HB PHE 56 10.106 -5.664 -1.526 379 2HB PHE 56 2HB PHE 56 11.172 -5.088 -0.226 380 HD1 PHE 56 HD1 PHE 56 10.831 -5.849 2.130 381 HD2 PHE 56 HD2 PHE 56 8.394 -7.354 -1.083 382 HE1 PHE 56 HE1 PHE 56 10.139 -7.720 3.539 383 HE2 PHE 56 HE2 PHE 56 7.683 -9.225 0.341 384 HZ PHE 56 HZ PHE 56 8.552 -9.430 2.661 385 H CYS 57 H CYS 57 8.428 -4.776 -2.746 386 HA CYS 57 HA CYS 57 5.628 -4.158 -2.228 387 1HB CYS 57 1HB CYS 57 7.001 -5.512 -4.576 388 2HB CYS 57 2HB CYS 57 5.247 -5.152 -4.490 389 H TYR 58 H TYR 58 4.712 -5.287 -0.785 390 HA TYR 58 HA TYR 58 5.256 -7.955 -0.084 391 1HB TYR 58 1HB TYR 58 3.993 -5.924 1.211 392 2HB TYR 58 2HB TYR 58 2.545 -6.666 0.480 393 HD1 TYR 58 HD1 TYR 58 1.382 -7.826 2.170 394 HD2 TYR 58 HD2 TYR 58 5.699 -7.954 2.223 395 HE1 TYR 58 HE1 TYR 58 1.311 -9.304 4.060 396 HE2 TYR 58 HE2 TYR 58 5.616 -9.435 4.144 397 HH TYR 58 HH TYR 58 4.260 -10.605 5.620 398 H LYS 59 H LYS 59 3.106 -9.367 0.251 399 HA LYS 59 HA LYS 59 2.412 -10.581 -2.147 400 1HB LYS 59 1HB LYS 59 1.057 -10.635 0.546 401 2HB LYS 59 2HB LYS 59 0.527 -11.612 -0.880 402 1HG LYS 59 1HG LYS 59 2.723 -12.675 -1.069 403 2HG LYS 59 2HG LYS 59 3.395 -11.724 0.286 404 1HD LYS 59 1HD LYS 59 1.955 -12.778 1.912 405 2HD LYS 59 2HD LYS 59 0.946 -13.546 0.641 406 1HE LYS 59 1HE LYS 59 3.952 -14.153 1.030 407 2HE LYS 59 2HE LYS 59 2.611 -15.130 1.769 408 1HZ LYS 59 1HZ LYS 59 1.776 -15.571 -0.421 409 2HZ LYS 59 2HZ LYS 59 3.396 -16.067 -0.286 410 3HZ LYS 59 3HZ LYS 59 3.012 -14.649 -1.134 411 H ALA 60 H ALA 60 0.865 -10.464 -3.626 412 HA ALA 60 HA ALA 60 -0.639 -8.016 -3.761 413 1HB ALA 60 1HB ALA 60 0.589 -8.869 -5.761 414 2HB ALA 60 2HB ALA 60 -1.191 -8.853 -6.067 415 3HB ALA 60 3HB ALA 60 -0.342 -10.404 -5.665 416 H CYS 61 H CYS 61 -2.760 -7.809 -3.472 417 HA CYS 61 HA CYS 61 -4.411 -10.180 -2.958 418 1HB CYS 61 1HB CYS 61 -4.485 -7.360 -1.792 419 2HB CYS 61 2HB CYS 61 -5.729 -8.614 -1.457 420 H HIS 62 H HIS 62 -6.749 -9.516 -3.157 421 HA HIS 62 HA HIS 62 -7.139 -7.830 -5.586 422 1HB HIS 62 1HB HIS 62 -8.555 -10.401 -4.696 423 2HB HIS 62 2HB HIS 62 -9.101 -9.390 -6.063 424 HD1 HIS 62 HD1 HIS 62 -7.367 -9.102 -8.035 425 HD2 HIS 62 HD2 HIS 62 -6.246 -11.971 -5.212 426 HE1 HIS 62 HE1 HIS 62 -5.438 -10.368 -9.023 427 HE2 HIS 62 HE2 HIS 62 -4.746 -12.095 -7.284 428 H ASN 63 H ASN 63 -9.128 -6.510 -5.525 429 HA ASN 63 HA ASN 63 -10.962 -6.495 -3.550 430 1HB ASN 63 1HB ASN 63 -10.263 -4.230 -2.437 431 2HB ASN 63 2HB ASN 63 -9.598 -5.753 -1.798 432 1HD2 ASN 63 1HD2 ASN 63 -7.220 -6.153 -2.125 433 2HD2 ASN 63 2HD2 ASN 63 -6.213 -4.834 -2.631 434 H SER 64 H SER 64 -9.236 -3.710 -4.715 435 HA SER 64 HA SER 64 -11.433 -3.067 -6.617 436 1HB SER 64 1HB SER 64 -11.151 -1.563 -4.600 437 2HB SER 64 2HB SER 64 -9.499 -1.159 -5.157 438 HG SER 64 HG SER 64 -10.365 -0.026 -6.843 439 H GLU 65 H GLU 65 -9.758 -4.792 -7.743 440 HA GLU 65 HA GLU 65 -7.660 -3.614 -9.221 441 1HB GLU 65 1HB GLU 65 -7.956 -5.467 -10.835 442 2HB GLU 65 2HB GLU 65 -7.688 -5.974 -9.155 443 1HG GLU 65 1HG GLU 65 -10.547 -5.875 -10.320 444 2HG GLU 65 2HG GLU 65 -9.455 -7.264 -10.585 445 HE2 GLU 65 HE2 GLU 65 -11.390 -6.973 -7.223 446 H ILE 66 H ILE 66 -11.053 -3.413 -9.468 447 HA ILE 66 HA ILE 66 -11.000 -1.379 -11.469 448 HB ILE 66 HB ILE 66 -12.805 -2.410 -12.810 449 1HG1 ILE 66 1HG1 ILE 66 -12.098 -5.106 -11.506 450 2HG1 ILE 66 2HG1 ILE 66 -13.543 -4.139 -11.077 451 1HG2 ILE 66 1HG2 ILE 66 -11.360 -3.762 -14.233 452 2HG2 ILE 66 2HG2 ILE 66 -10.239 -4.115 -12.878 453 3HG2 ILE 66 3HG2 ILE 66 -10.379 -2.429 -13.523 454 1HD1 ILE 66 1HD1 ILE 66 -12.928 -5.317 -13.862 455 2HD1 ILE 66 2HD1 ILE 66 -14.324 -4.244 -13.470 456 3HD1 ILE 66 3HD1 ILE 66 -14.177 -5.866 -12.693 457 H GLU 67 H GLU 67 -13.297 -0.501 -11.657 458 HA GLU 67 HA GLU 67 -14.364 -0.343 -8.952 459 1HB GLU 67 1HB GLU 67 -14.793 1.210 -11.544 460 2HB GLU 67 2HB GLU 67 -15.635 1.616 -10.008 461 1HG GLU 67 1HG GLU 67 -13.614 2.326 -8.910 462 2HG GLU 67 2HG GLU 67 -12.564 1.440 -10.067 463 HE2 GLU 67 HE2 GLU 67 -11.991 4.227 -11.797 Start of MODEL 7 1 1H GLY 1 1H GLY 1 -3.965 -18.160 1.051 2 2H GLY 1 2H GLY 1 -5.484 -18.155 1.810 3 3H GLY 1 3H GLY 1 -4.250 -19.161 2.390 4 1HA GLY 1 1HA GLY 1 -4.557 -17.289 3.798 5 2HA GLY 1 2HA GLY 1 -2.942 -17.264 2.983 6 H ASP 2 H ASP 2 -5.674 -15.474 3.760 7 HA ASP 2 HA ASP 2 -4.806 -13.135 2.219 8 1HB ASP 2 1HB ASP 2 -7.563 -14.554 1.909 9 2HB ASP 2 2HB ASP 2 -7.317 -12.834 1.460 10 HD2 ASP 2 HD2 ASP 2 -6.760 -15.319 -1.301 11 H ASP 3 H ASP 3 -4.748 -13.962 4.914 12 HA ASP 3 HA ASP 3 -6.381 -12.116 6.390 13 1HB ASP 3 1HB ASP 3 -7.491 -13.946 7.729 14 2HB ASP 3 2HB ASP 3 -8.098 -13.812 6.057 15 HD2 ASP 3 HD2 ASP 3 -7.128 -17.299 7.100 16 H VAL 4 H VAL 4 -4.010 -11.637 6.516 17 HA VAL 4 HA VAL 4 -3.076 -12.667 9.017 18 HB VAL 4 HB VAL 4 -2.053 -14.154 7.396 19 1HG1 VAL 4 1HG1 VAL 4 -1.924 -12.735 5.381 20 2HG1 VAL 4 2HG1 VAL 4 -0.271 -13.276 5.823 21 3HG1 VAL 4 3HG1 VAL 4 -0.789 -11.597 6.187 22 1HG2 VAL 4 1HG2 VAL 4 0.278 -13.937 8.199 23 2HG2 VAL 4 2HG2 VAL 4 -0.877 -13.609 9.535 24 3HG2 VAL 4 3HG2 VAL 4 -0.003 -12.254 8.728 25 H LYS 5 H LYS 5 -1.999 -11.109 10.183 26 HA LYS 5 HA LYS 5 -2.599 -8.456 9.395 27 1HB LYS 5 1HB LYS 5 -2.897 -9.479 11.661 28 2HB LYS 5 2HB LYS 5 -1.112 -9.523 11.849 29 1HG LYS 5 1HG LYS 5 -0.937 -7.165 11.927 30 2HG LYS 5 2HG LYS 5 -2.634 -6.900 11.363 31 1HD LYS 5 1HD LYS 5 -1.942 -8.353 13.989 32 2HD LYS 5 2HD LYS 5 -2.165 -6.571 13.899 33 1HE LYS 5 1HE LYS 5 -4.501 -6.830 13.111 34 2HE LYS 5 2HE LYS 5 -4.327 -8.629 13.085 35 1HZ LYS 5 1HZ LYS 5 -4.072 -6.897 15.482 36 2HZ LYS 5 2HZ LYS 5 -3.942 -8.587 15.441 37 3HZ LYS 5 3HZ LYS 5 -5.419 -7.843 15.055 38 H SER 6 H SER 6 -0.143 -10.291 8.504 39 HA SER 6 HA SER 6 2.154 -8.634 8.343 40 1HB SER 6 1HB SER 6 1.066 -10.613 6.251 41 2HB SER 6 2HB SER 6 2.731 -9.959 6.259 42 HG SER 6 HG SER 6 2.821 -11.873 7.105 43 H ALA 7 H ALA 7 2.943 -7.742 6.116 44 HA ALA 7 HA ALA 7 1.135 -5.812 5.146 45 1HB ALA 7 1HB ALA 7 3.478 -5.355 5.100 46 2HB ALA 7 2HB ALA 7 2.965 -5.605 3.375 47 3HB ALA 7 3HB ALA 7 3.808 -6.908 4.254 48 H CYS 8 H CYS 8 -0.235 -5.664 3.581 49 HA CYS 8 HA CYS 8 -0.282 -7.681 1.438 50 1HB CYS 8 1HB CYS 8 -2.580 -7.347 1.132 51 2HB CYS 8 2HB CYS 8 -2.422 -7.496 2.901 52 H CYS 9 H CYS 9 -0.388 -6.817 -0.757 53 HA CYS 9 HA CYS 9 -0.555 -3.907 -1.010 54 1HB CYS 9 1HB CYS 9 1.910 -4.931 -0.652 55 2HB CYS 9 2HB CYS 9 1.745 -5.465 -2.328 56 H ASP 10 H ASP 10 -1.958 -3.508 -2.906 57 HA ASP 10 HA ASP 10 -1.890 -5.647 -4.961 58 1HB ASP 10 1HB ASP 10 -3.887 -3.487 -4.300 59 2HB ASP 10 2HB ASP 10 -3.672 -3.916 -6.010 60 HD2 ASP 10 HD2 ASP 10 -5.766 -4.552 -5.833 61 H THR 11 H THR 11 -2.078 -2.056 -5.578 62 HA THR 11 HA THR 11 0.008 -2.408 -7.478 63 HB THR 11 HB THR 11 -1.066 0.258 -6.492 64 HG1 THR 11 HG1 THR 11 -2.553 0.105 -7.950 65 1HG2 THR 11 1HG2 THR 11 1.018 0.316 -7.951 66 2HG2 THR 11 2HG2 THR 11 -0.412 0.885 -8.875 67 3HG2 THR 11 3HG2 THR 11 0.228 -0.786 -9.130 68 H CYS 12 H CYS 12 1.972 -2.793 -6.834 69 HA CYS 12 HA CYS 12 3.279 -1.330 -4.708 70 1HB CYS 12 1HB CYS 12 4.268 -3.259 -6.892 71 2HB CYS 12 2HB CYS 12 5.294 -2.648 -5.520 72 H LEU 13 H LEU 13 4.980 0.190 -4.961 73 HA LEU 13 HA LEU 13 5.973 0.707 -7.654 74 1HB LEU 13 1HB LEU 13 3.998 2.167 -7.314 75 2HB LEU 13 2HB LEU 13 4.717 2.761 -5.787 76 HG LEU 13 HG LEU 13 6.351 3.079 -8.320 77 1HD1 LEU 13 1HD1 LEU 13 3.828 4.783 -7.810 78 2HD1 LEU 13 2HD1 LEU 13 4.048 3.579 -9.127 79 3HD1 LEU 13 3HD1 LEU 13 5.075 5.062 -9.073 80 1HD2 LEU 13 1HD2 LEU 13 7.191 4.050 -6.201 81 2HD2 LEU 13 2HD2 LEU 13 5.652 4.968 -5.966 82 3HD2 LEU 13 3HD2 LEU 13 6.759 5.376 -7.331 83 H CYS 14 H CYS 14 8.032 1.326 -7.614 84 HA CYS 14 HA CYS 14 9.424 1.645 -5.060 85 1HB CYS 14 1HB CYS 14 9.862 -0.438 -7.263 86 2HB CYS 14 2HB CYS 14 11.073 -0.087 -6.015 87 H THR 15 H THR 15 11.283 2.718 -5.131 88 HA THR 15 HA THR 15 11.784 4.211 -7.597 89 HB THR 15 HB THR 15 13.310 5.591 -6.311 90 HG1 THR 15 HG1 THR 15 12.941 5.342 -3.963 91 1HG2 THR 15 1HG2 THR 15 11.502 6.734 -5.106 92 2HG2 THR 15 2HG2 THR 15 10.571 5.204 -4.948 93 3HG2 THR 15 3HG2 THR 15 10.793 5.964 -6.565 94 H ARG 16 H ARG 16 13.773 4.481 -8.559 95 HA ARG 16 HA ARG 16 15.662 2.277 -8.353 96 1HB ARG 16 1HB ARG 16 15.798 4.829 -10.064 97 2HB ARG 16 2HB ARG 16 16.862 3.381 -10.189 98 1HG ARG 16 1HG ARG 16 14.756 2.008 -10.713 99 2HG ARG 16 2HG ARG 16 13.895 3.575 -10.896 100 1HD ARG 16 1HD ARG 16 14.589 2.886 -13.116 101 2HD ARG 16 2HD ARG 16 15.677 4.249 -12.654 102 HE ARG 16 HE ARG 16 16.357 1.281 -12.513 103 1HH1 ARG 16 1HH1 ARG 16 17.471 4.661 -12.922 104 2HH1 ARG 16 2HH1 ARG 16 19.139 4.209 -13.081 105 1HH2 ARG 16 1HH2 ARG 16 18.570 0.732 -12.704 106 2HH2 ARG 16 2HH2 ARG 16 19.771 1.959 -12.954 107 H SER 17 H SER 17 15.258 4.353 -6.177 108 HA SER 17 HA SER 17 17.524 6.038 -6.044 109 1HB SER 17 1HB SER 17 15.382 6.413 -4.784 110 2HB SER 17 2HB SER 17 15.897 5.147 -3.623 111 HG SER 17 HG SER 17 16.295 7.351 -3.056 112 H GLN 18 H GLN 18 18.524 5.809 -3.566 113 HA GLN 18 HA GLN 18 20.078 3.332 -3.292 114 1HB GLN 18 1HB GLN 18 21.144 6.040 -4.166 115 2HB GLN 18 2HB GLN 18 22.207 4.942 -3.230 116 1HG GLN 18 1HG GLN 18 20.943 4.258 -5.973 117 2HG GLN 18 2HG GLN 18 22.636 4.780 -5.692 118 1HE2 GLN 18 1HE2 GLN 18 23.778 3.360 -3.855 119 2HE2 GLN 18 2HE2 GLN 18 23.626 1.642 -4.179 120 HA PRO 19 HA PRO 19 19.695 2.137 -1.611 121 1HB PRO 19 1HB PRO 19 18.085 1.497 0.556 122 2HB PRO 19 2HB PRO 19 19.891 1.764 0.706 123 1HG PRO 19 1HG PRO 19 17.649 3.798 1.233 124 2HG PRO 19 2HG PRO 19 19.026 3.351 2.319 125 1HD PRO 19 1HD PRO 19 19.137 5.548 0.626 126 2HD PRO 19 2HD PRO 19 20.607 4.533 0.940 127 HA PRO 20 HA PRO 20 15.741 3.043 -3.588 128 1HB PRO 20 1HB PRO 20 15.101 0.612 -4.709 129 2HB PRO 20 2HB PRO 20 16.482 1.602 -5.316 130 1HG PRO 20 1HG PRO 20 16.569 -0.704 -3.305 131 2HG PRO 20 2HG PRO 20 17.558 -0.502 -4.809 132 1HD PRO 20 1HD PRO 20 18.516 0.251 -2.323 133 2HD PRO 20 2HD PRO 20 18.856 1.276 -3.802 134 H THR 21 H THR 21 13.418 2.603 -3.427 135 HA THR 21 HA THR 21 12.579 0.984 -1.163 136 HB THR 21 HB THR 21 13.708 2.776 0.030 137 HG1 THR 21 HG1 THR 21 12.176 2.911 1.448 138 1HG2 THR 21 1HG2 THR 21 13.500 4.613 -1.627 139 2HG2 THR 21 2HG2 THR 21 12.821 5.103 -0.056 140 3HG2 THR 21 3HG2 THR 21 11.711 4.639 -1.402 141 H CYS 22 H CYS 22 10.295 1.598 -0.494 142 HA CYS 22 HA CYS 22 8.725 1.745 -2.990 143 1HB CYS 22 1HB CYS 22 9.060 -0.730 -1.252 144 2HB CYS 22 2HB CYS 22 7.903 -0.653 -2.583 145 H ARG 23 H ARG 23 6.475 1.011 -2.683 146 HA ARG 23 HA ARG 23 5.301 0.775 -0.193 147 1HB ARG 23 1HB ARG 23 4.089 2.812 0.192 148 2HB ARG 23 2HB ARG 23 5.752 3.351 -0.135 149 1HG ARG 23 1HG ARG 23 3.923 3.343 -2.560 150 2HG ARG 23 2HG ARG 23 3.482 4.416 -1.203 151 1HD ARG 23 1HD ARG 23 4.820 5.704 -2.714 152 2HD ARG 23 2HD ARG 23 5.820 5.372 -1.218 153 HE ARG 23 HE ARG 23 6.199 3.332 -3.253 154 1HH1 ARG 23 1HH1 ARG 23 7.097 6.701 -2.454 155 2HH1 ARG 23 2HH1 ARG 23 8.631 6.603 -3.253 156 1HH2 ARG 23 1HH2 ARG 23 8.148 3.254 -4.317 157 2HH2 ARG 23 2HH2 ARG 23 9.283 4.582 -4.291 158 H CYS 24 H CYS 24 2.896 0.871 -0.345 159 HA CYS 24 HA CYS 24 1.989 -0.189 -2.919 160 1HB CYS 24 1HB CYS 24 0.466 0.134 -0.247 161 2HB CYS 24 2HB CYS 24 -0.105 -0.779 -1.685 162 H VAL 25 H VAL 25 1.701 1.550 -4.298 163 HA VAL 25 HA VAL 25 0.584 4.028 -3.475 164 HB VAL 25 HB VAL 25 0.565 4.719 -5.774 165 1HG1 VAL 25 1HG1 VAL 25 3.121 3.315 -4.724 166 2HG1 VAL 25 2HG1 VAL 25 2.533 4.928 -4.218 167 3HG1 VAL 25 3HG1 VAL 25 3.072 4.675 -5.907 168 1HG2 VAL 25 1HG2 VAL 25 1.562 3.214 -7.504 169 2HG2 VAL 25 2HG2 VAL 25 0.031 2.522 -6.870 170 3HG2 VAL 25 3HG2 VAL 25 1.619 1.849 -6.333 171 H ASP 26 H ASP 26 -0.702 1.177 -3.969 172 HA ASP 26 HA ASP 26 -3.296 1.476 -4.894 173 1HB ASP 26 1HB ASP 26 -1.926 -0.649 -4.174 174 2HB ASP 26 2HB ASP 26 -2.483 -0.293 -2.495 175 HD2 ASP 26 HD2 ASP 26 -5.105 -1.335 -5.374 176 H VAL 27 H VAL 27 -5.253 2.291 -4.120 177 HA VAL 27 HA VAL 27 -5.198 3.373 -1.379 178 HB VAL 27 HB VAL 27 -6.764 4.519 -3.670 179 1HG1 VAL 27 1HG1 VAL 27 -7.145 5.211 -1.224 180 2HG1 VAL 27 2HG1 VAL 27 -6.404 6.550 -2.198 181 3HG1 VAL 27 3HG1 VAL 27 -5.375 5.581 -1.099 182 1HG2 VAL 27 1HG2 VAL 27 -4.793 6.183 -3.806 183 2HG2 VAL 27 2HG2 VAL 27 -4.599 4.587 -4.644 184 3HG2 VAL 27 3HG2 VAL 27 -3.793 4.875 -3.067 185 H ARG 28 H ARG 28 -6.663 2.738 -0.022 186 HA ARG 28 HA ARG 28 -9.031 1.293 -1.028 187 1HB ARG 28 1HB ARG 28 -6.832 0.493 0.947 188 2HB ARG 28 2HB ARG 28 -8.383 -0.404 0.846 189 1HG ARG 28 1HG ARG 28 -6.230 -0.139 -1.331 190 2HG ARG 28 2HG ARG 28 -6.661 -1.591 -0.367 191 1HD ARG 28 1HD ARG 28 -9.107 -1.257 -1.472 192 2HD ARG 28 2HD ARG 28 -8.241 -0.155 -2.589 193 HE ARG 28 HE ARG 28 -7.271 -1.984 -3.648 194 1HH1 ARG 28 1HH1 ARG 28 -8.609 -3.165 -0.497 195 2HH1 ARG 28 2HH1 ARG 28 -8.385 -4.818 -0.936 196 1HH2 ARG 28 1HH2 ARG 28 -7.086 -4.210 -4.154 197 2HH2 ARG 28 2HH2 ARG 28 -7.521 -5.421 -2.990 198 H GLU 29 H GLU 29 -10.369 0.517 0.937 199 HA GLU 29 HA GLU 29 -11.468 2.695 2.292 200 1HB GLU 29 1HB GLU 29 -11.500 -0.319 2.635 201 2HB GLU 29 2HB GLU 29 -12.547 0.722 3.641 202 1HG GLU 29 1HG GLU 29 -12.639 0.634 0.529 203 2HG GLU 29 2HG GLU 29 -13.761 -0.230 1.630 204 HE2 GLU 29 HE2 GLU 29 -13.546 2.348 -0.213 205 H SER 30 H SER 30 -8.787 0.793 3.041 206 HA SER 30 HA SER 30 -8.122 2.280 5.452 207 1HB SER 30 1HB SER 30 -8.642 -0.780 5.471 208 2HB SER 30 2HB SER 30 -7.641 0.012 6.734 209 HG SER 30 HG SER 30 -9.335 0.906 7.604 210 H CYS 31 H CYS 31 -5.892 1.411 6.288 211 HA CYS 31 HA CYS 31 -4.259 0.493 3.992 212 1HB CYS 31 1HB CYS 31 -3.620 1.818 6.641 213 2HB CYS 31 2HB CYS 31 -2.326 1.259 5.501 214 H HIS 32 H HIS 32 -2.726 -0.283 7.042 215 HA HIS 32 HA HIS 32 -3.973 -2.784 7.335 216 1HB HIS 32 1HB HIS 32 -2.620 -2.985 5.106 217 2HB HIS 32 2HB HIS 32 -1.196 -3.175 6.112 218 HD1 HIS 32 HD1 HIS 32 -4.337 -4.465 4.823 219 HD2 HIS 32 HD2 HIS 32 -1.606 -5.983 7.613 220 HE1 HIS 32 HE1 HIS 32 -4.866 -6.878 5.105 221 HE2 HIS 32 HE2 HIS 32 -3.177 -7.804 6.791 222 H SER 33 H SER 33 -0.813 -3.665 8.157 223 HA SER 33 HA SER 33 -1.326 -2.620 10.829 224 1HB SER 33 1HB SER 33 -0.941 -5.104 10.290 225 2HB SER 33 2HB SER 33 0.768 -4.696 9.972 226 HG SER 33 HG SER 33 -0.775 -4.365 12.358 227 H ALA 34 H ALA 34 1.826 -3.102 9.029 228 HA ALA 34 HA ALA 34 2.951 -1.154 10.779 229 1HB ALA 34 1HB ALA 34 4.019 -3.368 10.257 230 2HB ALA 34 2HB ALA 34 5.091 -1.997 9.817 231 3HB ALA 34 3HB ALA 34 4.184 -2.864 8.533 232 H CYS 35 H CYS 35 1.205 -0.145 8.706 233 HA CYS 35 HA CYS 35 2.956 1.375 6.917 234 1HB CYS 35 1HB CYS 35 0.811 0.510 6.094 235 2HB CYS 35 2HB CYS 35 -0.066 1.528 7.311 236 H ASP 36 H ASP 36 4.128 3.087 7.742 237 HA ASP 36 HA ASP 36 3.474 4.333 10.140 238 1HB ASP 36 1HB ASP 36 5.364 5.887 9.572 239 2HB ASP 36 2HB ASP 36 5.771 4.148 9.468 240 HD2 ASP 36 HD2 ASP 36 7.324 5.760 6.710 241 H LYS 37 H LYS 37 3.212 5.628 6.848 242 HA LYS 37 HA LYS 37 1.324 7.672 7.836 243 1HB LYS 37 1HB LYS 37 3.488 8.569 6.957 244 2HB LYS 37 2HB LYS 37 3.125 7.808 5.389 245 1HG LYS 37 1HG LYS 37 1.140 9.171 5.071 246 2HG LYS 37 2HG LYS 37 1.223 9.819 6.734 247 1HD LYS 37 1HD LYS 37 3.230 11.099 6.247 248 2HD LYS 37 2HD LYS 37 3.512 10.212 4.712 249 1HE LYS 37 1HE LYS 37 1.444 11.231 3.710 250 2HE LYS 37 2HE LYS 37 1.152 12.141 5.242 251 1HZ LYS 37 1HZ LYS 37 3.200 13.268 4.949 252 2HZ LYS 37 2HZ LYS 37 2.304 13.400 3.513 253 3HZ LYS 37 3HZ LYS 37 3.618 12.324 3.600 254 H CYS 38 H CYS 38 -0.364 6.104 7.740 255 HA CYS 38 HA CYS 38 -1.466 5.716 5.070 256 1HB CYS 38 1HB CYS 38 -1.701 3.960 6.887 257 2HB CYS 38 2HB CYS 38 -2.443 5.206 7.946 258 H VAL 39 H VAL 39 -2.057 7.810 4.203 259 HA VAL 39 HA VAL 39 -3.468 9.577 6.044 260 HB VAL 39 HB VAL 39 -3.551 11.189 4.361 261 1HG1 VAL 39 1HG1 VAL 39 -1.166 11.507 3.954 262 2HG1 VAL 39 2HG1 VAL 39 -0.836 9.757 4.208 263 3HG1 VAL 39 3HG1 VAL 39 -1.354 10.785 5.614 264 1HG2 VAL 39 1HG2 VAL 39 -4.062 9.946 2.376 265 2HG2 VAL 39 2HG2 VAL 39 -2.493 9.028 2.510 266 3HG2 VAL 39 3HG2 VAL 39 -2.516 10.830 2.181 267 H CYS 40 H CYS 40 -5.612 8.950 6.537 268 HA CYS 40 HA CYS 40 -6.937 7.305 4.547 269 1HB CYS 40 1HB CYS 40 -6.572 6.918 7.114 270 2HB CYS 40 2HB CYS 40 -8.117 7.789 7.252 271 H ALA 41 H ALA 41 -7.627 8.528 2.947 272 HA ALA 41 HA ALA 41 -8.427 11.185 3.413 273 1HB ALA 41 1HB ALA 41 -8.909 9.661 0.827 274 2HB ALA 41 2HB ALA 41 -7.370 10.419 1.304 275 3HB ALA 41 3HB ALA 41 -8.822 11.443 1.070 276 H TYR 42 H TYR 42 -10.224 12.265 3.083 277 HA TYR 42 HA TYR 42 -12.344 11.349 4.629 278 1HB TYR 42 1HB TYR 42 -12.873 13.921 4.345 279 2HB TYR 42 2HB TYR 42 -11.218 13.515 4.930 280 HD1 TYR 42 HD1 TYR 42 -13.152 14.521 1.882 281 HD2 TYR 42 HD2 TYR 42 -9.212 14.030 3.576 282 HE1 TYR 42 HE1 TYR 42 -12.163 15.526 -0.109 283 HE2 TYR 42 HE2 TYR 42 -8.235 14.919 1.496 284 HH TYR 42 HH TYR 42 -10.236 15.777 -1.329 285 H SER 43 H SER 43 -11.807 11.265 1.500 286 HA SER 43 HA SER 43 -13.899 12.201 0.047 287 1HB SER 43 1HB SER 43 -12.061 9.810 -0.562 288 2HB SER 43 2HB SER 43 -13.022 10.788 -1.779 289 HG SER 43 HG SER 43 -10.634 11.356 -1.211 290 H ASN 44 H ASN 44 -15.216 11.052 -1.446 291 HA ASN 44 HA ASN 44 -16.942 9.163 -0.075 292 1HB ASN 44 1HB ASN 44 -17.699 11.355 -1.172 293 2HB ASN 44 2HB ASN 44 -17.455 10.573 -2.746 294 1HD2 ASN 44 1HD2 ASN 44 -19.552 10.630 0.187 295 2HD2 ASN 44 2HD2 ASN 44 -20.588 9.365 -0.315 296 HA PRO 45 HA PRO 45 -16.507 7.296 0.641 297 1HB PRO 45 1HB PRO 45 -15.588 4.509 -0.187 298 2HB PRO 45 2HB PRO 45 -16.844 4.918 0.990 299 1HG PRO 45 1HG PRO 45 -17.623 4.054 -1.461 300 2HG PRO 45 2HG PRO 45 -18.406 5.540 -0.814 301 1HD PRO 45 1HD PRO 45 -15.945 5.435 -2.689 302 2HD PRO 45 2HD PRO 45 -17.526 6.314 -2.949 303 HA PRO 46 HA PRO 46 -12.488 7.863 1.818 304 1HB PRO 46 1HB PRO 46 -12.414 5.286 3.483 305 2HB PRO 46 2HB PRO 46 -11.773 6.914 3.952 306 1HG PRO 46 1HG PRO 46 -14.245 6.290 4.823 307 2HG PRO 46 2HG PRO 46 -14.020 7.871 3.939 308 1HD PRO 46 1HD PRO 46 -15.077 5.211 2.791 309 2HD PRO 46 2HD PRO 46 -15.751 6.952 2.642 310 H GLN 47 H GLN 47 -10.344 7.761 1.551 311 HA GLN 47 HA GLN 47 -9.361 5.539 -0.150 312 1HB GLN 47 1HB GLN 47 -9.415 8.506 -0.856 313 2HB GLN 47 2HB GLN 47 -8.336 7.362 -1.692 314 1HG GLN 47 1HG GLN 47 -11.419 7.240 -1.541 315 2HG GLN 47 2HG GLN 47 -10.459 7.749 -2.979 316 1HE2 GLN 47 1HE2 GLN 47 -8.626 5.830 -3.432 317 2HE2 GLN 47 2HE2 GLN 47 -9.321 4.239 -3.485 318 H CYS 48 H CYS 48 -8.204 4.775 1.435 319 HA CYS 48 HA CYS 48 -6.299 6.387 2.849 320 1HB CYS 48 1HB CYS 48 -7.097 3.534 3.358 321 2HB CYS 48 2HB CYS 48 -6.162 4.636 4.451 322 H GLN 49 H GLN 49 -4.291 6.660 2.501 323 HA GLN 49 HA GLN 49 -2.999 4.815 0.627 324 1HB GLN 49 1HB GLN 49 -3.836 7.424 0.292 325 2HB GLN 49 2HB GLN 49 -2.098 7.677 0.669 326 1HG GLN 49 1HG GLN 49 -3.328 5.912 -1.491 327 2HG GLN 49 2HG GLN 49 -2.551 7.514 -1.787 328 1HE2 GLN 49 1HE2 GLN 49 -2.073 4.112 -1.254 329 2HE2 GLN 49 2HE2 GLN 49 -0.338 4.061 -1.316 330 H CYS 50 H CYS 50 -1.291 3.793 1.328 331 HA CYS 50 HA CYS 50 0.419 4.825 3.436 332 1HB CYS 50 1HB CYS 50 0.622 2.435 1.509 333 2HB CYS 50 2HB CYS 50 1.918 2.821 2.660 334 H TYR 51 H TYR 51 0.848 6.784 2.675 335 HA TYR 51 HA TYR 51 1.672 7.665 0.241 336 1HB TYR 51 1HB TYR 51 1.163 8.777 2.776 337 2HB TYR 51 2HB TYR 51 2.860 9.186 2.598 338 HD1 TYR 51 HD1 TYR 51 -0.512 9.581 1.349 339 HD2 TYR 51 HD2 TYR 51 3.565 10.758 0.648 340 HE1 TYR 51 HE1 TYR 51 -1.284 11.530 0.096 341 HE2 TYR 51 HE2 TYR 51 2.800 12.664 -0.627 342 HH TYR 51 HH TYR 51 -0.635 13.647 -0.522 343 H ASP 52 H ASP 52 3.610 6.708 2.791 344 HA ASP 52 HA ASP 52 5.974 8.167 1.993 345 1HB ASP 52 1HB ASP 52 5.121 8.194 4.315 346 2HB ASP 52 2HB ASP 52 5.235 6.396 4.410 347 HD2 ASP 52 HD2 ASP 52 7.003 9.304 4.263 348 H THR 53 H THR 53 8.197 7.391 1.930 349 HA THR 53 HA THR 53 8.532 4.854 0.595 350 HB THR 53 HB THR 53 11.009 5.289 0.920 351 HG1 THR 53 HG1 THR 53 11.056 6.729 2.578 352 1HG2 THR 53 1HG2 THR 53 9.739 5.827 -1.154 353 2HG2 THR 53 2HG2 THR 53 10.989 7.078 -0.836 354 3HG2 THR 53 3HG2 THR 53 9.255 7.428 -0.479 355 H HIS 54 H HIS 54 8.229 3.020 1.676 356 HA HIS 54 HA HIS 54 9.742 2.617 4.112 357 1HB HIS 54 1HB HIS 54 7.922 1.991 5.634 358 2HB HIS 54 2HB HIS 54 7.831 3.709 5.080 359 HD1 HIS 54 HD1 HIS 54 6.185 4.040 2.985 360 HD2 HIS 54 HD2 HIS 54 5.265 1.131 5.834 361 HE1 HIS 54 HE1 HIS 54 3.727 3.748 2.921 362 HE2 HIS 54 HE2 HIS 54 3.161 1.972 4.677 363 H LYS 55 H LYS 55 7.774 0.937 1.681 364 HA LYS 55 HA LYS 55 8.173 -1.539 3.175 365 1HB LYS 55 1HB LYS 55 6.308 -0.101 3.832 366 2HB LYS 55 2HB LYS 55 5.748 0.060 2.154 367 1HG LYS 55 1HG LYS 55 5.863 -2.696 3.495 368 2HG LYS 55 2HG LYS 55 4.590 -1.517 3.956 369 1HD LYS 55 1HD LYS 55 3.882 -1.317 1.522 370 2HD LYS 55 2HD LYS 55 5.120 -2.538 1.100 371 1HE LYS 55 1HE LYS 55 3.002 -3.738 1.290 372 2HE LYS 55 2HE LYS 55 4.061 -4.141 2.699 373 1HZ LYS 55 1HZ LYS 55 1.819 -2.181 2.681 374 2HZ LYS 55 2HZ LYS 55 2.827 -2.526 4.004 375 3HZ LYS 55 3HZ LYS 55 1.804 -3.728 3.379 376 H PHE 56 H PHE 56 8.690 -3.306 1.837 377 HA PHE 56 HA PHE 56 8.808 -2.761 -0.965 378 1HB PHE 56 1HB PHE 56 9.950 -4.873 -1.300 379 2HB PHE 56 2HB PHE 56 10.670 -3.892 -0.009 380 HD1 PHE 56 HD1 PHE 56 8.180 -6.752 -0.491 381 HD2 PHE 56 HD2 PHE 56 11.189 -4.946 2.005 382 HE1 PHE 56 HE1 PHE 56 8.165 -8.726 0.952 383 HE2 PHE 56 HE2 PHE 56 11.204 -6.949 3.421 384 HZ PHE 56 HZ PHE 56 9.687 -8.855 2.909 385 H CYS 57 H CYS 57 8.262 -4.659 -2.620 386 HA CYS 57 HA CYS 57 5.412 -4.644 -2.629 387 1HB CYS 57 1HB CYS 57 6.836 -4.340 -4.657 388 2HB CYS 57 2HB CYS 57 7.296 -6.064 -4.563 389 H TYR 58 H TYR 58 4.719 -5.726 -0.965 390 HA TYR 58 HA TYR 58 4.972 -8.603 -0.650 391 1HB TYR 58 1HB TYR 58 3.197 -6.426 0.584 392 2HB TYR 58 2HB TYR 58 2.761 -8.134 0.784 393 HD1 TYR 58 HD1 TYR 58 5.470 -5.614 1.565 394 HD2 TYR 58 HD2 TYR 58 4.095 -9.671 2.075 395 HE1 TYR 58 HE1 TYR 58 6.990 -5.900 3.436 396 HE2 TYR 58 HE2 TYR 58 5.606 -9.958 3.922 397 HH TYR 58 HH TYR 58 7.329 -9.072 5.109 398 H LYS 59 H LYS 59 3.225 -10.028 -0.756 399 HA LYS 59 HA LYS 59 1.771 -10.225 -3.097 400 1HB LYS 59 1HB LYS 59 1.320 -11.680 -0.474 401 2HB LYS 59 2HB LYS 59 0.740 -12.171 -2.113 402 1HG LYS 59 1HG LYS 59 3.292 -12.072 -2.800 403 2HG LYS 59 2HG LYS 59 3.631 -12.072 -1.034 404 1HD LYS 59 1HD LYS 59 2.199 -14.219 -0.886 405 2HD LYS 59 2HD LYS 59 2.320 -14.286 -2.680 406 1HE LYS 59 1HE LYS 59 4.649 -14.235 -0.637 407 2HE LYS 59 2HE LYS 59 4.141 -15.644 -1.655 408 1HZ LYS 59 1HZ LYS 59 4.772 -14.409 -3.601 409 2HZ LYS 59 2HZ LYS 59 6.071 -14.523 -2.510 410 3HZ LYS 59 3HZ LYS 59 5.214 -13.064 -2.658 411 H ALA 60 H ALA 60 -0.548 -10.548 -3.332 412 HA ALA 60 HA ALA 60 -1.834 -8.230 -3.311 413 1HB ALA 60 1HB ALA 60 -2.345 -10.221 -4.683 414 2HB ALA 60 2HB ALA 60 -3.855 -9.573 -3.940 415 3HB ALA 60 3HB ALA 60 -3.050 -11.037 -3.247 416 H CYS 61 H CYS 61 -3.798 -7.370 -2.619 417 HA CYS 61 HA CYS 61 -4.515 -7.941 0.173 418 1HB CYS 61 1HB CYS 61 -3.347 -5.629 -0.552 419 2HB CYS 61 2HB CYS 61 -4.986 -5.196 -1.095 420 H HIS 62 H HIS 62 -5.695 -9.535 -1.382 421 HA HIS 62 HA HIS 62 -8.419 -8.478 -1.906 422 1HB HIS 62 1HB HIS 62 -6.949 -11.003 -2.749 423 2HB HIS 62 2HB HIS 62 -8.726 -10.864 -2.835 424 HD1 HIS 62 HD1 HIS 62 -6.408 -7.992 -3.713 425 HD2 HIS 62 HD2 HIS 62 -9.035 -10.683 -5.552 426 HE1 HIS 62 HE1 HIS 62 -6.677 -7.241 -6.093 427 HE2 HIS 62 HE2 HIS 62 -8.255 -8.887 -7.197 428 H ASN 63 H ASN 63 -9.464 -8.389 0.074 429 HA ASN 63 HA ASN 63 -8.712 -10.027 2.219 430 1HB ASN 63 1HB ASN 63 -11.242 -8.317 2.030 431 2HB ASN 63 2HB ASN 63 -10.474 -8.929 3.522 432 1HD2 ASN 63 1HD2 ASN 63 -8.067 -8.067 3.840 433 2HD2 ASN 63 2HD2 ASN 63 -7.936 -6.382 3.436 434 H SER 64 H SER 64 -11.873 -9.908 0.614 435 HA SER 64 HA SER 64 -12.277 -12.797 1.218 436 1HB SER 64 1HB SER 64 -13.350 -11.442 3.032 437 2HB SER 64 2HB SER 64 -14.284 -10.536 1.797 438 HG SER 64 HG SER 64 -15.600 -12.187 1.598 439 H GLU 65 H GLU 65 -11.574 -12.737 -1.135 440 HA GLU 65 HA GLU 65 -13.228 -11.734 -3.125 441 1HB GLU 65 1HB GLU 65 -12.143 -13.185 -4.706 442 2HB GLU 65 2HB GLU 65 -10.962 -12.415 -3.629 443 1HG GLU 65 1HG GLU 65 -11.975 -15.334 -3.266 444 2HG GLU 65 2HG GLU 65 -10.517 -14.892 -4.202 445 HE2 GLU 65 HE2 GLU 65 -9.020 -13.644 -3.147 446 H ILE 66 H ILE 66 -13.696 -14.527 -1.203 447 HA ILE 66 HA ILE 66 -16.283 -15.046 -2.330 448 HB ILE 66 HB ILE 66 -14.444 -16.202 -3.715 449 1HG1 ILE 66 1HG1 ILE 66 -16.707 -17.892 -2.530 450 2HG1 ILE 66 2HG1 ILE 66 -16.856 -16.631 -3.796 451 1HG2 ILE 66 1HG2 ILE 66 -14.381 -18.145 -1.302 452 2HG2 ILE 66 2HG2 ILE 66 -13.084 -16.956 -1.692 453 3HG2 ILE 66 3HG2 ILE 66 -13.470 -18.277 -2.847 454 1HD1 ILE 66 1HD1 ILE 66 -15.297 -17.914 -5.301 455 2HD1 ILE 66 2HD1 ILE 66 -16.752 -18.872 -4.865 456 3HD1 ILE 66 3HD1 ILE 66 -15.178 -19.224 -4.074 457 H GLU 67 H GLU 67 -17.432 -16.835 -0.948 458 HA GLU 67 HA GLU 67 -16.207 -17.624 1.426 459 1HB GLU 67 1HB GLU 67 -18.269 -16.877 2.802 460 2HB GLU 67 2HB GLU 67 -17.006 -15.649 2.480 461 1HG GLU 67 1HG GLU 67 -19.230 -14.627 2.261 462 2HG GLU 67 2HG GLU 67 -18.360 -14.588 0.694 463 HE2 GLU 67 HE2 GLU 67 -21.375 -17.236 1.002 Start of MODEL 8 1 1H GLY 1 1H GLY 1 -4.213 -17.674 5.795 2 2H GLY 1 2H GLY 1 -4.290 -18.720 7.134 3 3H GLY 1 3H GLY 1 -2.825 -18.517 6.296 4 1HA GLY 1 1HA GLY 1 -2.709 -16.242 6.933 5 2HA GLY 1 2HA GLY 1 -4.262 -16.470 7.847 6 H ASP 2 H ASP 2 -0.916 -16.382 8.155 7 HA ASP 2 HA ASP 2 -0.985 -17.424 10.863 8 1HB ASP 2 1HB ASP 2 0.861 -18.619 8.647 9 2HB ASP 2 2HB ASP 2 1.057 -18.921 10.407 10 HD2 ASP 2 HD2 ASP 2 -1.529 -21.025 8.264 11 H ASP 3 H ASP 3 -0.846 -14.900 9.839 12 HA ASP 3 HA ASP 3 1.560 -13.947 10.943 13 1HB ASP 3 1HB ASP 3 2.259 -14.588 8.523 14 2HB ASP 3 2HB ASP 3 1.074 -13.389 7.928 15 HD2 ASP 3 HD2 ASP 3 3.846 -13.911 9.803 16 H VAL 4 H VAL 4 0.474 -12.625 12.244 17 HA VAL 4 HA VAL 4 -2.108 -11.643 11.512 18 HB VAL 4 HB VAL 4 -2.310 -10.661 13.662 19 1HG1 VAL 4 1HG1 VAL 4 -2.156 -12.740 15.013 20 2HG1 VAL 4 2HG1 VAL 4 -1.045 -13.484 13.821 21 3HG1 VAL 4 3HG1 VAL 4 -2.746 -13.115 13.353 22 1HG2 VAL 4 1HG2 VAL 4 -0.584 -10.732 15.385 23 2HG2 VAL 4 2HG2 VAL 4 0.026 -9.793 13.996 24 3HG2 VAL 4 3HG2 VAL 4 0.597 -11.479 14.271 25 H LYS 5 H LYS 5 1.066 -10.284 11.340 26 HA LYS 5 HA LYS 5 -0.013 -7.662 10.669 27 1HB LYS 5 1HB LYS 5 2.823 -8.699 11.116 28 2HB LYS 5 2HB LYS 5 2.481 -7.011 10.644 29 1HG LYS 5 1HG LYS 5 1.369 -8.357 13.178 30 2HG LYS 5 2HG LYS 5 2.887 -7.419 13.154 31 1HD LYS 5 1HD LYS 5 1.848 -5.366 12.889 32 2HD LYS 5 2HD LYS 5 0.398 -6.015 12.068 33 1HE LYS 5 1HE LYS 5 0.982 -6.508 15.049 34 2HE LYS 5 2HE LYS 5 -0.024 -5.143 14.428 35 1HZ LYS 5 1HZ LYS 5 -1.488 -6.737 13.417 36 2HZ LYS 5 2HZ LYS 5 -1.349 -7.016 15.084 37 3HZ LYS 5 3HZ LYS 5 -0.549 -8.036 13.985 38 H SER 6 H SER 6 -0.572 -9.837 9.041 39 HA SER 6 HA SER 6 0.684 -9.733 6.532 40 1HB SER 6 1HB SER 6 -1.607 -10.462 5.640 41 2HB SER 6 2HB SER 6 -0.946 -11.471 6.983 42 HG SER 6 HG SER 6 -3.212 -10.828 7.268 43 H ALA 7 H ALA 7 0.552 -8.377 4.751 44 HA ALA 7 HA ALA 7 -1.259 -6.057 4.944 45 1HB ALA 7 1HB ALA 7 1.554 -6.340 3.706 46 2HB ALA 7 2HB ALA 7 1.166 -5.463 5.233 47 3HB ALA 7 3HB ALA 7 0.546 -4.834 3.664 48 H CYS 8 H CYS 8 -2.170 -5.312 3.016 49 HA CYS 8 HA CYS 8 -1.836 -7.078 0.653 50 1HB CYS 8 1HB CYS 8 -4.272 -5.382 1.304 51 2HB CYS 8 2HB CYS 8 -4.047 -6.457 -0.115 52 H CYS 9 H CYS 9 -0.849 -6.225 -1.054 53 HA CYS 9 HA CYS 9 -0.950 -3.309 -1.516 54 1HB CYS 9 1HB CYS 9 1.282 -4.169 -0.709 55 2HB CYS 9 2HB CYS 9 1.239 -5.425 -1.971 56 H ASP 10 H ASP 10 -1.307 -2.746 -3.767 57 HA ASP 10 HA ASP 10 -1.647 -5.037 -5.613 58 1HB ASP 10 1HB ASP 10 -3.368 -2.547 -5.156 59 2HB ASP 10 2HB ASP 10 -3.260 -3.273 -6.778 60 HD2 ASP 10 HD2 ASP 10 -5.420 -4.982 -4.020 61 H THR 11 H THR 11 -1.589 -1.499 -6.332 62 HA THR 11 HA THR 11 0.529 -2.003 -8.203 63 HB THR 11 HB THR 11 -0.642 0.724 -7.469 64 HG1 THR 11 HG1 THR 11 -2.214 -0.723 -8.440 65 1HG2 THR 11 1HG2 THR 11 1.628 0.755 -8.619 66 2HG2 THR 11 2HG2 THR 11 0.325 1.297 -9.715 67 3HG2 THR 11 3HG2 THR 11 0.992 -0.373 -9.870 68 H CYS 12 H CYS 12 2.409 -2.305 -7.515 69 HA CYS 12 HA CYS 12 3.599 -0.979 -5.226 70 1HB CYS 12 1HB CYS 12 3.914 -3.437 -5.845 71 2HB CYS 12 2HB CYS 12 4.853 -2.871 -7.297 72 H LEU 13 H LEU 13 5.434 0.442 -5.340 73 HA LEU 13 HA LEU 13 6.564 1.016 -7.954 74 1HB LEU 13 1HB LEU 13 4.602 2.528 -7.613 75 2HB LEU 13 2HB LEU 13 5.321 3.106 -6.086 76 HG LEU 13 HG LEU 13 5.459 4.692 -8.005 77 1HD1 LEU 13 1HD1 LEU 13 7.104 4.784 -6.131 78 2HD1 LEU 13 2HD1 LEU 13 7.731 5.459 -7.685 79 3HD1 LEU 13 3HD1 LEU 13 8.280 3.841 -7.128 80 1HD2 LEU 13 1HD2 LEU 13 5.765 3.029 -9.859 81 2HD2 LEU 13 2HD2 LEU 13 7.454 2.724 -9.288 82 3HD2 LEU 13 3HD2 LEU 13 6.992 4.352 -9.894 83 H CYS 14 H CYS 14 8.466 0.247 -7.403 84 HA CYS 14 HA CYS 14 9.847 1.329 -5.072 85 1HB CYS 14 1HB CYS 14 10.701 -0.889 -6.981 86 2HB CYS 14 2HB CYS 14 11.707 -0.235 -5.684 87 H THR 15 H THR 15 11.596 2.673 -5.157 88 HA THR 15 HA THR 15 11.881 4.078 -7.666 89 HB THR 15 HB THR 15 13.589 5.434 -6.638 90 HG1 THR 15 HG1 THR 15 13.994 5.210 -4.469 91 1HG2 THR 15 1HG2 THR 15 12.032 6.511 -5.011 92 2HG2 THR 15 2HG2 THR 15 11.062 5.005 -4.888 93 3HG2 THR 15 3HG2 THR 15 11.112 5.909 -6.443 94 H ARG 16 H ARG 16 13.548 4.219 -9.060 95 HA ARG 16 HA ARG 16 15.674 2.242 -8.950 96 1HB ARG 16 1HB ARG 16 14.899 4.381 -10.983 97 2HB ARG 16 2HB ARG 16 16.417 3.451 -11.113 98 1HG ARG 16 1HG ARG 16 13.656 2.130 -10.981 99 2HG ARG 16 2HG ARG 16 14.466 2.593 -12.508 100 1HD ARG 16 1HD ARG 16 16.326 1.052 -12.116 101 2HD ARG 16 2HD ARG 16 15.696 0.617 -10.469 102 HE ARG 16 HE ARG 16 13.529 -0.036 -11.867 103 1HH1 ARG 16 1HH1 ARG 16 16.928 -0.642 -12.831 104 2HH1 ARG 16 2HH1 ARG 16 16.558 -2.172 -13.562 105 1HH2 ARG 16 1HH2 ARG 16 13.098 -2.071 -12.827 106 2HH2 ARG 16 2HH2 ARG 16 14.373 -2.993 -13.559 107 H SER 17 H SER 17 17.368 2.699 -7.619 108 HA SER 17 HA SER 17 18.634 5.201 -7.372 109 1HB SER 17 1HB SER 17 16.316 5.680 -6.225 110 2HB SER 17 2HB SER 17 16.818 4.515 -4.969 111 HG SER 17 HG SER 17 17.235 6.784 -4.562 112 H GLN 18 H GLN 18 19.453 5.040 -4.789 113 HA GLN 18 HA GLN 18 20.691 2.413 -4.344 114 1HB GLN 18 1HB GLN 18 22.189 4.952 -5.175 115 2HB GLN 18 2HB GLN 18 22.999 3.533 -4.413 116 1HG GLN 18 1HG GLN 18 22.271 2.126 -6.419 117 2HG GLN 18 2HG GLN 18 21.594 3.609 -7.180 118 1HE2 GLN 18 1HE2 GLN 18 23.313 5.557 -7.159 119 2HE2 GLN 18 2HE2 GLN 18 24.899 5.079 -7.715 120 HA PRO 19 HA PRO 19 19.951 1.458 -2.683 121 1HB PRO 19 1HB PRO 19 18.460 1.125 -0.370 122 2HB PRO 19 2HB PRO 19 20.285 1.055 -0.395 123 1HG PRO 19 1HG PRO 19 18.507 3.468 0.296 124 2HG PRO 19 2HG PRO 19 19.853 2.764 1.278 125 1HD PRO 19 1HD PRO 19 20.278 4.893 -0.441 126 2HD PRO 19 2HD PRO 19 21.522 3.573 -0.248 127 HA PRO 20 HA PRO 20 15.844 2.627 -4.151 128 1HB PRO 20 1HB PRO 20 14.664 0.184 -4.559 129 2HB PRO 20 2HB PRO 20 16.084 0.695 -5.547 130 1HG PRO 20 1HG PRO 20 16.103 -1.055 -3.022 131 2HG PRO 20 2HG PRO 20 16.858 -1.427 -4.625 132 1HD PRO 20 1HD PRO 20 18.277 -0.289 -2.523 133 2HD PRO 20 2HD PRO 20 18.620 0.173 -4.257 134 H THR 21 H THR 21 13.634 2.613 -3.467 135 HA THR 21 HA THR 21 13.029 1.877 -0.686 136 HB THR 21 HB THR 21 13.377 4.739 -1.787 137 HG1 THR 21 HG1 THR 21 15.323 3.778 -1.055 138 1HG2 THR 21 1HG2 THR 21 11.434 4.615 -0.195 139 2HG2 THR 21 2HG2 THR 21 12.805 5.467 0.559 140 3HG2 THR 21 3HG2 THR 21 12.474 3.766 1.028 141 H CYS 22 H CYS 22 10.683 1.943 -0.369 142 HA CYS 22 HA CYS 22 9.332 2.158 -2.983 143 1HB CYS 22 1HB CYS 22 10.786 0.021 -2.689 144 2HB CYS 22 2HB CYS 22 9.679 -0.454 -1.379 145 H ARG 23 H ARG 23 7.193 1.250 -2.931 146 HA ARG 23 HA ARG 23 5.656 1.387 -0.516 147 1HB ARG 23 1HB ARG 23 4.457 3.563 -1.254 148 2HB ARG 23 2HB ARG 23 6.141 3.841 -0.730 149 1HG ARG 23 1HG ARG 23 6.947 4.203 -2.893 150 2HG ARG 23 2HG ARG 23 5.609 3.344 -3.699 151 1HD ARG 23 1HD ARG 23 5.513 5.807 -4.074 152 2HD ARG 23 2HD ARG 23 4.032 5.169 -3.272 153 HE ARG 23 HE ARG 23 6.251 6.797 -2.057 154 1HH1 ARG 23 1HH1 ARG 23 2.975 5.359 -1.616 155 2HH1 ARG 23 2HH1 ARG 23 2.677 6.249 -0.174 156 1HH2 ARG 23 1HH2 ARG 23 5.858 7.849 -0.181 157 2HH2 ARG 23 2HH2 ARG 23 4.376 7.663 0.721 158 H CYS 24 H CYS 24 3.353 1.464 -1.002 159 HA CYS 24 HA CYS 24 2.686 0.297 -3.633 160 1HB CYS 24 1HB CYS 24 1.271 0.033 -0.913 161 2HB CYS 24 2HB CYS 24 0.663 -0.650 -2.456 162 H VAL 25 H VAL 25 2.093 1.935 -4.904 163 HA VAL 25 HA VAL 25 0.994 4.353 -3.937 164 HB VAL 25 HB VAL 25 0.767 5.019 -6.296 165 1HG1 VAL 25 1HG1 VAL 25 2.813 5.469 -4.970 166 2HG1 VAL 25 2HG1 VAL 25 3.256 5.060 -6.665 167 3HG1 VAL 25 3HG1 VAL 25 3.465 3.835 -5.356 168 1HG2 VAL 25 1HG2 VAL 25 2.001 2.227 -6.878 169 2HG2 VAL 25 2HG2 VAL 25 1.777 3.565 -8.041 170 3HG2 VAL 25 3HG2 VAL 25 0.336 2.771 -7.331 171 H ASP 26 H ASP 26 -0.480 1.383 -4.764 172 HA ASP 26 HA ASP 26 -2.993 2.646 -5.440 173 1HB ASP 26 1HB ASP 26 -2.345 0.335 -6.298 174 2HB ASP 26 2HB ASP 26 -2.737 -0.294 -4.639 175 HD2 ASP 26 HD2 ASP 26 -6.024 -0.512 -5.566 176 H VAL 27 H VAL 27 -4.820 2.913 -4.294 177 HA VAL 27 HA VAL 27 -4.433 3.239 -1.470 178 HB VAL 27 HB VAL 27 -6.358 4.535 -1.446 179 1HG1 VAL 27 1HG1 VAL 27 -4.315 5.453 -2.682 180 2HG1 VAL 27 2HG1 VAL 27 -5.881 6.220 -3.139 181 3HG1 VAL 27 3HG1 VAL 27 -5.116 5.020 -4.233 182 1HG2 VAL 27 1HG2 VAL 27 -7.879 4.712 -3.481 183 2HG2 VAL 27 2HG2 VAL 27 -8.012 3.170 -2.574 184 3HG2 VAL 27 3HG2 VAL 27 -7.108 3.225 -4.139 185 H ARG 28 H ARG 28 -5.639 2.481 0.203 186 HA ARG 28 HA ARG 28 -7.365 0.140 -0.350 187 1HB ARG 28 1HB ARG 28 -5.606 0.888 2.026 188 2HB ARG 28 2HB ARG 28 -6.772 -0.483 2.065 189 1HG ARG 28 1HG ARG 28 -4.459 -0.218 0.041 190 2HG ARG 28 2HG ARG 28 -4.329 -1.089 1.615 191 1HD ARG 28 1HD ARG 28 -6.438 -1.867 -0.509 192 2HD ARG 28 2HD ARG 28 -4.762 -2.574 -0.407 193 HE ARG 28 HE ARG 28 -5.789 -2.682 2.203 194 1HH1 ARG 28 1HH1 ARG 28 -6.780 -4.026 -0.962 195 2HH1 ARG 28 2HH1 ARG 28 -7.556 -5.403 -0.250 196 1HH2 ARG 28 1HH2 ARG 28 -6.792 -4.389 3.076 197 2HH2 ARG 28 2HH2 ARG 28 -7.595 -5.634 2.128 198 H GLU 29 H GLU 29 -9.110 -0.173 1.125 199 HA GLU 29 HA GLU 29 -10.856 1.920 1.633 200 1HB GLU 29 1HB GLU 29 -10.548 -0.949 2.625 201 2HB GLU 29 2HB GLU 29 -11.967 0.058 3.070 202 1HG GLU 29 1HG GLU 29 -12.345 0.448 0.519 203 2HG GLU 29 2HG GLU 29 -11.194 -0.905 0.223 204 HE2 GLU 29 HE2 GLU 29 -13.454 -3.239 1.681 205 H SER 30 H SER 30 -8.265 0.730 3.457 206 HA SER 30 HA SER 30 -8.754 2.328 5.825 207 1HB SER 30 1HB SER 30 -8.588 -0.798 5.864 208 2HB SER 30 2HB SER 30 -8.556 0.211 7.344 209 HG SER 30 HG SER 30 -10.551 -0.637 7.049 210 H CYS 31 H CYS 31 -6.798 1.298 7.476 211 HA CYS 31 HA CYS 31 -4.546 0.584 5.716 212 1HB CYS 31 1HB CYS 31 -4.749 3.073 6.485 213 2HB CYS 31 2HB CYS 31 -4.258 2.468 8.119 214 H HIS 32 H HIS 32 -2.734 0.553 8.002 215 HA HIS 32 HA HIS 32 -3.528 -1.442 9.860 216 1HB HIS 32 1HB HIS 32 -3.423 -2.775 7.744 217 2HB HIS 32 2HB HIS 32 -1.755 -2.124 7.453 218 HD1 HIS 32 HD1 HIS 32 -3.378 -4.985 8.186 219 HD2 HIS 32 HD2 HIS 32 0.025 -3.216 9.835 220 HE1 HIS 32 HE1 HIS 32 -2.006 -6.833 9.121 221 HE2 HIS 32 HE2 HIS 32 0.112 -5.742 10.083 222 H SER 33 H SER 33 -1.705 -1.747 11.334 223 HA SER 33 HA SER 33 -0.070 0.607 11.441 224 1HB SER 33 1HB SER 33 0.028 -1.916 13.211 225 2HB SER 33 2HB SER 33 0.844 -0.365 13.596 226 HG SER 33 HG SER 33 -1.229 -0.774 14.587 227 H ALA 34 H ALA 34 0.573 -1.212 9.170 228 HA ALA 34 HA ALA 34 3.268 -2.145 9.776 229 1HB ALA 34 1HB ALA 34 1.467 -2.374 7.269 230 2HB ALA 34 2HB ALA 34 1.698 -3.656 8.519 231 3HB ALA 34 3HB ALA 34 3.068 -3.177 7.486 232 H CYS 35 H CYS 35 1.816 0.771 8.956 233 HA CYS 35 HA CYS 35 4.312 1.761 7.963 234 1HB CYS 35 1HB CYS 35 2.825 0.959 6.004 235 2HB CYS 35 2HB CYS 35 1.668 2.264 6.480 236 H ASP 36 H ASP 36 4.505 4.079 8.243 237 HA ASP 36 HA ASP 36 3.273 4.708 10.711 238 1HB ASP 36 1HB ASP 36 5.284 6.410 9.074 239 2HB ASP 36 2HB ASP 36 4.948 6.460 10.851 240 HD2 ASP 36 HD2 ASP 36 7.197 3.561 9.204 241 H LYS 37 H LYS 37 3.636 7.059 7.950 242 HA LYS 37 HA LYS 37 1.391 8.462 9.022 243 1HB LYS 37 1HB LYS 37 3.595 9.493 8.158 244 2HB LYS 37 2HB LYS 37 3.051 9.106 6.520 245 1HG LYS 37 1HG LYS 37 2.467 11.381 6.847 246 2HG LYS 37 2HG LYS 37 0.912 10.513 7.037 247 1HD LYS 37 1HD LYS 37 1.225 10.579 9.553 248 2HD LYS 37 2HD LYS 37 2.782 11.437 9.328 249 1HE LYS 37 1HE LYS 37 1.549 13.364 8.263 250 2HE LYS 37 2HE LYS 37 -0.022 12.498 8.537 251 1HZ LYS 37 1HZ LYS 37 1.936 13.285 10.630 252 2HZ LYS 37 2HZ LYS 37 0.467 12.476 10.884 253 3HZ LYS 37 3HZ LYS 37 0.470 14.062 10.281 254 H CYS 38 H CYS 38 -0.080 6.566 8.516 255 HA CYS 38 HA CYS 38 -1.075 6.607 5.797 256 1HB CYS 38 1HB CYS 38 -0.817 4.650 7.626 257 2HB CYS 38 2HB CYS 38 -2.499 5.141 8.017 258 H VAL 39 H VAL 39 -2.251 8.289 5.107 259 HA VAL 39 HA VAL 39 -4.159 9.486 6.995 260 HB VAL 39 HB VAL 39 -3.999 11.473 5.791 261 1HG1 VAL 39 1HG1 VAL 39 -1.914 10.921 7.156 262 2HG1 VAL 39 2HG1 VAL 39 -1.642 12.031 5.751 263 3HG1 VAL 39 3HG1 VAL 39 -1.159 10.300 5.624 264 1HG2 VAL 39 1HG2 VAL 39 -4.212 10.746 3.519 265 2HG2 VAL 39 2HG2 VAL 39 -2.624 9.843 3.631 266 3HG2 VAL 39 3HG2 VAL 39 -2.675 11.673 3.712 267 H CYS 40 H CYS 40 -6.363 9.967 5.945 268 HA CYS 40 HA CYS 40 -6.899 8.247 3.623 269 1HB CYS 40 1HB CYS 40 -8.298 8.265 6.321 270 2HB CYS 40 2HB CYS 40 -8.962 7.477 4.889 271 H ALA 41 H ALA 41 -8.175 9.095 2.264 272 HA ALA 41 HA ALA 41 -9.557 11.594 2.746 273 1HB ALA 41 1HB ALA 41 -10.291 11.514 0.469 274 2HB ALA 41 2HB ALA 41 -9.610 9.850 0.254 275 3HB ALA 41 3HB ALA 41 -8.513 11.255 0.553 276 H TYR 42 H TYR 42 -11.539 11.828 3.326 277 HA TYR 42 HA TYR 42 -13.067 9.654 4.295 278 1HB TYR 42 1HB TYR 42 -14.510 11.771 5.052 279 2HB TYR 42 2HB TYR 42 -12.829 11.538 5.678 280 HD1 TYR 42 HD1 TYR 42 -14.662 13.191 2.790 281 HD2 TYR 42 HD2 TYR 42 -11.187 13.273 5.344 282 HE1 TYR 42 HE1 TYR 42 -13.863 15.211 1.658 283 HE2 TYR 42 HE2 TYR 42 -10.423 15.309 4.222 284 HH TYR 42 HH TYR 42 -12.060 16.547 1.315 285 H SER 43 H SER 43 -12.782 9.942 1.472 286 HA SER 43 HA SER 43 -15.024 10.766 0.052 287 1HB SER 43 1HB SER 43 -13.061 8.534 -0.705 288 2HB SER 43 2HB SER 43 -14.046 9.571 -1.839 289 HG SER 43 HG SER 43 -12.017 10.350 -1.793 290 H ASN 44 H ASN 44 -15.713 8.745 -1.658 291 HA ASN 44 HA ASN 44 -16.886 6.561 -0.171 292 1HB ASN 44 1HB ASN 44 -18.457 8.525 -0.275 293 2HB ASN 44 2HB ASN 44 -18.359 8.518 -2.046 294 1HD2 ASN 44 1HD2 ASN 44 -19.145 6.283 -3.103 295 2HD2 ASN 44 2HD2 ASN 44 -20.464 5.519 -2.307 296 HA PRO 45 HA PRO 45 -16.237 4.654 -0.309 297 1HB PRO 45 1HB PRO 45 -14.428 2.700 -0.969 298 2HB PRO 45 2HB PRO 45 -16.071 2.648 -1.617 299 1HG PRO 45 1HG PRO 45 -13.580 3.812 -2.996 300 2HG PRO 45 2HG PRO 45 -14.729 2.612 -3.681 301 1HD PRO 45 1HD PRO 45 -14.909 5.373 -4.123 302 2HD PRO 45 2HD PRO 45 -16.388 4.312 -4.071 303 HA PRO 46 HA PRO 46 -12.831 6.935 1.153 304 1HB PRO 46 1HB PRO 46 -11.785 5.515 3.295 305 2HB PRO 46 2HB PRO 46 -13.426 6.263 3.315 306 1HG PRO 46 1HG PRO 46 -12.741 3.354 2.633 307 2HG PRO 46 2HG PRO 46 -13.963 4.004 3.825 308 1HD PRO 46 1HD PRO 46 -14.640 3.231 1.254 309 2HD PRO 46 2HD PRO 46 -15.417 4.739 2.062 310 H GLN 47 H GLN 47 -10.444 7.150 1.339 311 HA GLN 47 HA GLN 47 -9.004 5.038 -0.130 312 1HB GLN 47 1HB GLN 47 -8.578 8.053 -0.547 313 2HB GLN 47 2HB GLN 47 -7.892 6.699 -1.509 314 1HG GLN 47 1HG GLN 47 -10.902 7.447 -1.495 315 2HG GLN 47 2HG GLN 47 -9.686 8.200 -2.583 316 1HE2 GLN 47 1HE2 GLN 47 -10.847 4.914 -1.600 317 2HE2 GLN 47 2HE2 GLN 47 -10.687 4.204 -3.169 318 H CYS 48 H CYS 48 -6.855 4.839 0.578 319 HA CYS 48 HA CYS 48 -5.892 6.632 2.682 320 1HB CYS 48 1HB CYS 48 -6.396 3.598 2.904 321 2HB CYS 48 2HB CYS 48 -5.397 4.538 4.075 322 H GLN 49 H GLN 49 -3.769 6.763 2.714 323 HA GLN 49 HA GLN 49 -2.111 4.930 1.193 324 1HB GLN 49 1HB GLN 49 -2.573 7.935 0.778 325 2HB GLN 49 2HB GLN 49 -0.965 7.211 0.369 326 1HG GLN 49 1HG GLN 49 -2.171 5.558 -1.167 327 2HG GLN 49 2HG GLN 49 -3.666 6.542 -0.954 328 1HE2 GLN 49 1HE2 GLN 49 -3.268 9.026 -1.393 329 2HE2 GLN 49 2HE2 GLN 49 -2.314 9.349 -2.812 330 H CYS 50 H CYS 50 -0.114 4.743 2.014 331 HA CYS 50 HA CYS 50 0.507 6.319 4.424 332 1HB CYS 50 1HB CYS 50 0.767 3.760 4.417 333 2HB CYS 50 2HB CYS 50 2.103 3.992 3.251 334 H TYR 51 H TYR 51 1.271 8.201 4.008 335 HA TYR 51 HA TYR 51 2.899 8.926 1.845 336 1HB TYR 51 1HB TYR 51 1.951 10.309 4.368 337 2HB TYR 51 2HB TYR 51 3.334 11.040 3.492 338 HD1 TYR 51 HD1 TYR 51 3.091 11.764 1.066 339 HD2 TYR 51 HD2 TYR 51 -0.288 10.013 3.154 340 HE1 TYR 51 HE1 TYR 51 1.681 12.257 -0.791 341 HE2 TYR 51 HE2 TYR 51 -1.667 10.470 1.219 342 HH TYR 51 HH TYR 51 -1.824 11.264 -0.822 343 H ASP 52 H ASP 52 3.793 7.212 4.552 344 HA ASP 52 HA ASP 52 6.660 7.872 4.141 345 1HB ASP 52 1HB ASP 52 5.241 6.262 6.350 346 2HB ASP 52 2HB ASP 52 7.003 6.197 6.111 347 HD2 ASP 52 HD2 ASP 52 7.474 8.879 8.015 348 H THR 53 H THR 53 8.187 6.461 3.448 349 HA THR 53 HA THR 53 7.298 4.127 1.996 350 HB THR 53 HB THR 53 9.808 3.885 1.529 351 HG1 THR 53 HG1 THR 53 10.604 5.173 3.222 352 1HG2 THR 53 1HG2 THR 53 8.284 6.496 0.800 353 2HG2 THR 53 2HG2 THR 53 8.201 4.923 -0.072 354 3HG2 THR 53 3HG2 THR 53 9.732 5.865 -0.053 355 H HIS 54 H HIS 54 7.721 1.971 2.549 356 HA HIS 54 HA HIS 54 9.477 1.441 4.691 357 1HB HIS 54 1HB HIS 54 7.398 1.919 6.076 358 2HB HIS 54 2HB HIS 54 6.585 0.529 5.308 359 HD1 HIS 54 HD1 HIS 54 6.418 -0.104 7.827 360 HD2 HIS 54 HD2 HIS 54 10.325 -0.340 6.305 361 HE1 HIS 54 HE1 HIS 54 7.764 -1.374 9.476 362 HE2 HIS 54 HE2 HIS 54 10.145 -1.502 8.544 363 H LYS 55 H LYS 55 6.683 -0.449 3.306 364 HA LYS 55 HA LYS 55 8.425 -2.567 2.869 365 1HB LYS 55 1HB LYS 55 6.383 -3.786 2.347 366 2HB LYS 55 2HB LYS 55 6.168 -2.800 3.791 367 1HG LYS 55 1HG LYS 55 5.257 -1.691 1.091 368 2HG LYS 55 2HG LYS 55 4.316 -3.001 1.851 369 1HD LYS 55 1HD LYS 55 4.894 -0.379 3.377 370 2HD LYS 55 2HD LYS 55 3.542 -0.586 2.229 371 1HE LYS 55 1HE LYS 55 2.665 -0.936 4.446 372 2HE LYS 55 2HE LYS 55 2.640 -2.511 3.561 373 1HZ LYS 55 1HZ LYS 55 3.384 -2.802 5.793 374 2HZ LYS 55 2HZ LYS 55 4.610 -1.646 5.627 375 3HZ LYS 55 3HZ LYS 55 4.687 -3.098 4.752 376 H PHE 56 H PHE 56 8.243 -3.923 0.913 377 HA PHE 56 HA PHE 56 8.486 -2.361 -1.539 378 1HB PHE 56 1HB PHE 56 9.773 -4.407 -2.382 379 2HB PHE 56 2HB PHE 56 10.519 -3.544 -1.026 380 HD1 PHE 56 HD1 PHE 56 9.005 -6.748 -2.061 381 HD2 PHE 56 HD2 PHE 56 10.403 -4.458 1.315 382 HE1 PHE 56 HE1 PHE 56 9.018 -8.768 -0.688 383 HE2 PHE 56 HE2 PHE 56 10.422 -6.490 2.672 384 HZ PHE 56 HZ PHE 56 9.677 -8.659 1.700 385 H CYS 57 H CYS 57 7.980 -4.639 -3.351 386 HA CYS 57 HA CYS 57 5.182 -4.483 -3.385 387 1HB CYS 57 1HB CYS 57 7.051 -6.395 -4.874 388 2HB CYS 57 2HB CYS 57 5.398 -5.912 -5.378 389 H TYR 58 H TYR 58 3.663 -5.765 -2.529 390 HA TYR 58 HA TYR 58 4.533 -8.295 -1.250 391 1HB TYR 58 1HB TYR 58 3.891 -5.980 0.032 392 2HB TYR 58 2HB TYR 58 2.222 -6.564 -0.268 393 HD1 TYR 58 HD1 TYR 58 5.584 -7.850 0.979 394 HD2 TYR 58 HD2 TYR 58 1.293 -7.919 1.422 395 HE1 TYR 58 HE1 TYR 58 5.797 -9.422 2.807 396 HE2 TYR 58 HE2 TYR 58 1.504 -9.553 3.197 397 HH TYR 58 HH TYR 58 4.669 -10.773 4.339 398 H LYS 59 H LYS 59 2.555 -9.424 -0.498 399 HA LYS 59 HA LYS 59 0.958 -10.549 -2.504 400 1HB LYS 59 1HB LYS 59 0.467 -10.319 0.510 401 2HB LYS 59 2HB LYS 59 -0.407 -11.434 -0.599 402 1HG LYS 59 1HG LYS 59 1.728 -12.700 -1.000 403 2HG LYS 59 2HG LYS 59 2.635 -11.546 0.029 404 1HD LYS 59 1HD LYS 59 0.952 -12.092 1.922 405 2HD LYS 59 2HD LYS 59 0.485 -13.523 0.939 406 1HE LYS 59 1HE LYS 59 3.324 -12.802 1.976 407 2HE LYS 59 2HE LYS 59 2.240 -14.094 2.647 408 1HZ LYS 59 1HZ LYS 59 3.337 -13.987 -0.112 409 2HZ LYS 59 2HZ LYS 59 2.360 -15.216 0.533 410 3HZ LYS 59 3HZ LYS 59 3.921 -14.951 1.155 411 H ALA 60 H ALA 60 -1.270 -10.336 -2.982 412 HA ALA 60 HA ALA 60 -2.511 -7.786 -2.207 413 1HB ALA 60 1HB ALA 60 -2.078 -8.129 -4.616 414 2HB ALA 60 2HB ALA 60 -3.856 -8.182 -4.311 415 3HB ALA 60 3HB ALA 60 -2.914 -9.717 -4.554 416 H CYS 61 H CYS 61 -4.847 -7.846 -1.982 417 HA CYS 61 HA CYS 61 -6.024 -10.391 -1.673 418 1HB CYS 61 1HB CYS 61 -7.089 -10.157 0.444 419 2HB CYS 61 2HB CYS 61 -5.300 -10.082 0.589 420 H HIS 62 H HIS 62 -7.189 -10.153 -3.394 421 HA HIS 62 HA HIS 62 -9.100 -7.950 -3.674 422 1HB HIS 62 1HB HIS 62 -8.682 -10.527 -5.296 423 2HB HIS 62 2HB HIS 62 -9.809 -9.210 -5.726 424 HD1 HIS 62 HD1 HIS 62 -8.673 -6.805 -6.079 425 HD2 HIS 62 HD2 HIS 62 -6.053 -10.069 -6.129 426 HE1 HIS 62 HE1 HIS 62 -6.548 -6.007 -7.134 427 HE2 HIS 62 HE2 HIS 62 -4.949 -7.988 -7.139 428 H ASN 63 H ASN 63 -8.882 -11.063 -2.168 429 HA ASN 63 HA ASN 63 -11.285 -11.184 -1.020 430 1HB ASN 63 1HB ASN 63 -12.224 -13.227 -2.251 431 2HB ASN 63 2HB ASN 63 -12.358 -11.639 -3.055 432 1HD2 ASN 63 1HD2 ASN 63 -12.193 -12.176 -5.332 433 2HD2 ASN 63 2HD2 ASN 63 -10.779 -12.927 -5.966 434 H SER 64 H SER 64 -10.915 -14.258 -1.107 435 HA SER 64 HA SER 64 -9.204 -14.088 1.127 436 1HB SER 64 1HB SER 64 -11.416 -15.514 0.645 437 2HB SER 64 2HB SER 64 -10.268 -16.788 0.164 438 HG SER 64 HG SER 64 -10.581 -15.385 2.632 439 H GLU 65 H GLU 65 -7.354 -13.540 -0.632 440 HA GLU 65 HA GLU 65 -5.726 -15.694 -1.483 441 1HB GLU 65 1HB GLU 65 -5.096 -12.766 -0.907 442 2HB GLU 65 2HB GLU 65 -3.822 -13.968 -1.321 443 1HG GLU 65 1HG GLU 65 -4.466 -12.738 -3.314 444 2HG GLU 65 2HG GLU 65 -4.859 -14.482 -3.479 445 HE2 GLU 65 HE2 GLU 65 -8.213 -13.963 -3.899 446 H ILE 66 H ILE 66 -4.716 -13.614 1.239 447 HA ILE 66 HA ILE 66 -3.357 -15.828 2.406 448 HB ILE 66 HB ILE 66 -2.270 -13.749 2.182 449 1HG1 ILE 66 1HG1 ILE 66 -2.724 -14.241 5.173 450 2HG1 ILE 66 2HG1 ILE 66 -1.914 -15.451 4.115 451 1HG2 ILE 66 1HG2 ILE 66 -2.815 -11.751 3.491 452 2HG2 ILE 66 2HG2 ILE 66 -4.221 -12.552 4.251 453 3HG2 ILE 66 3HG2 ILE 66 -4.231 -12.162 2.478 454 1HD1 ILE 66 1HD1 ILE 66 -0.255 -13.975 5.308 455 2HD1 ILE 66 2HD1 ILE 66 -0.935 -12.534 4.470 456 3HD1 ILE 66 3HD1 ILE 66 -0.135 -13.838 3.520 457 H GLU 67 H GLU 67 -6.217 -13.892 3.188 458 HA GLU 67 HA GLU 67 -7.336 -15.736 4.910 459 1HB GLU 67 1HB GLU 67 -7.613 -14.146 6.802 460 2HB GLU 67 2HB GLU 67 -5.853 -14.359 6.498 461 1HG GLU 67 1HG GLU 67 -6.207 -12.182 4.913 462 2HG GLU 67 2HG GLU 67 -7.658 -11.927 5.925 463 HE2 GLU 67 HE2 GLU 67 -5.779 -10.519 8.408 Start of MODEL 9 1 1H GLY 1 1H GLY 1 -7.374 -17.437 9.664 2 2H GLY 1 2H GLY 1 -8.155 -18.603 10.620 3 3H GLY 1 3H GLY 1 -7.831 -17.064 11.261 4 1HA GLY 1 1HA GLY 1 -9.642 -17.703 9.035 5 2HA GLY 1 2HA GLY 1 -10.110 -17.229 10.720 6 H ASP 2 H ASP 2 -9.296 -15.096 11.434 7 HA ASP 2 HA ASP 2 -8.432 -13.148 9.460 8 1HB ASP 2 1HB ASP 2 -11.032 -13.235 9.284 9 2HB ASP 2 2HB ASP 2 -11.088 -12.732 11.009 10 HD2 ASP 2 HD2 ASP 2 -9.347 -9.674 9.603 11 H ASP 3 H ASP 3 -6.662 -13.550 10.862 12 HA ASP 3 HA ASP 3 -6.461 -11.768 13.060 13 1HB ASP 3 1HB ASP 3 -5.778 -13.715 14.716 14 2HB ASP 3 2HB ASP 3 -7.506 -13.340 14.474 15 HD2 ASP 3 HD2 ASP 3 -8.704 -14.868 13.995 16 H VAL 4 H VAL 4 -5.133 -11.621 10.815 17 HA VAL 4 HA VAL 4 -2.431 -12.592 11.462 18 HB VAL 4 HB VAL 4 -3.448 -12.067 8.648 19 1HG1 VAL 4 1HG1 VAL 4 -1.099 -13.748 9.812 20 2HG1 VAL 4 2HG1 VAL 4 -0.924 -12.127 9.045 21 3HG1 VAL 4 3HG1 VAL 4 -1.473 -13.522 8.069 22 1HG2 VAL 4 1HG2 VAL 4 -4.895 -13.892 9.443 23 2HG2 VAL 4 2HG2 VAL 4 -3.486 -14.734 10.209 24 3HG2 VAL 4 3HG2 VAL 4 -3.615 -14.602 8.415 25 H LYS 5 H LYS 5 -0.863 -11.020 11.370 26 HA LYS 5 HA LYS 5 -1.794 -8.282 11.212 27 1HB LYS 5 1HB LYS 5 0.049 -7.765 12.650 28 2HB LYS 5 2HB LYS 5 -0.660 -9.299 13.210 29 1HG LYS 5 1HG LYS 5 1.295 -10.387 11.649 30 2HG LYS 5 2HG LYS 5 2.049 -8.793 11.908 31 1HD LYS 5 1HD LYS 5 1.913 -9.104 14.382 32 2HD LYS 5 2HD LYS 5 0.954 -10.606 14.145 33 1HE LYS 5 1HE LYS 5 2.933 -11.640 12.921 34 2HE LYS 5 2HE LYS 5 3.923 -10.189 13.381 35 1HZ LYS 5 1HZ LYS 5 2.484 -11.963 15.275 36 2HZ LYS 5 2HZ LYS 5 3.535 -10.688 15.668 37 3HZ LYS 5 3HZ LYS 5 4.135 -12.076 14.893 38 H SER 6 H SER 6 -1.031 -10.055 8.898 39 HA SER 6 HA SER 6 1.227 -9.142 7.555 40 1HB SER 6 1HB SER 6 -1.424 -10.064 6.331 41 2HB SER 6 2HB SER 6 0.114 -9.843 5.405 42 HG SER 6 HG SER 6 -0.074 -11.961 5.984 43 H ALA 7 H ALA 7 1.707 -7.628 5.949 44 HA ALA 7 HA ALA 7 -0.299 -5.574 5.359 45 1HB ALA 7 1HB ALA 7 2.659 -5.870 4.560 46 2HB ALA 7 2HB ALA 7 2.077 -4.833 5.894 47 3HB ALA 7 3HB ALA 7 1.624 -4.446 4.184 48 H CYS 8 H CYS 8 -1.031 -5.221 3.267 49 HA CYS 8 HA CYS 8 -0.326 -7.138 1.184 50 1HB CYS 8 1HB CYS 8 -2.621 -7.564 0.578 51 2HB CYS 8 2HB CYS 8 -2.322 -8.111 2.247 52 H CYS 9 H CYS 9 -0.879 -6.317 -0.983 53 HA CYS 9 HA CYS 9 -1.618 -3.529 -1.175 54 1HB CYS 9 1HB CYS 9 0.805 -3.483 -0.404 55 2HB CYS 9 2HB CYS 9 1.241 -4.444 -1.840 56 H ASP 10 H ASP 10 -2.574 -3.228 -3.244 57 HA ASP 10 HA ASP 10 -2.254 -5.422 -5.176 58 1HB ASP 10 1HB ASP 10 -4.289 -3.207 -4.697 59 2HB ASP 10 2HB ASP 10 -4.399 -4.313 -6.069 60 HD2 ASP 10 HD2 ASP 10 -5.738 -3.956 -3.276 61 H THR 11 H THR 11 -1.071 -2.240 -4.781 62 HA THR 11 HA THR 11 -0.355 -2.009 -7.605 63 HB THR 11 HB THR 11 -1.986 0.219 -6.260 64 HG1 THR 11 HG1 THR 11 -2.837 -1.702 -8.175 65 1HG2 THR 11 1HG2 THR 11 -0.432 1.013 -8.006 66 2HG2 THR 11 2HG2 THR 11 -2.104 1.079 -8.632 67 3HG2 THR 11 3HG2 THR 11 -0.998 -0.247 -9.156 68 H CYS 12 H CYS 12 1.659 -1.237 -7.638 69 HA CYS 12 HA CYS 12 2.769 0.016 -5.246 70 1HB CYS 12 1HB CYS 12 2.187 -2.494 -4.943 71 2HB CYS 12 2HB CYS 12 3.426 -2.822 -6.228 72 H LEU 13 H LEU 13 5.021 0.379 -5.360 73 HA LEU 13 HA LEU 13 6.289 0.470 -7.996 74 1HB LEU 13 1HB LEU 13 4.846 2.448 -7.932 75 2HB LEU 13 2HB LEU 13 5.215 2.726 -6.203 76 HG LEU 13 HG LEU 13 7.661 3.270 -6.977 77 1HD1 LEU 13 1HD1 LEU 13 7.900 3.892 -9.405 78 2HD1 LEU 13 2HD1 LEU 13 6.248 3.227 -9.717 79 3HD1 LEU 13 3HD1 LEU 13 7.574 2.136 -9.180 80 1HD2 LEU 13 1HD2 LEU 13 5.375 5.058 -8.007 81 2HD2 LEU 13 2HD2 LEU 13 7.089 5.552 -7.738 82 3HD2 LEU 13 3HD2 LEU 13 6.071 5.046 -6.340 83 H CYS 14 H CYS 14 8.127 -0.520 -7.454 84 HA CYS 14 HA CYS 14 9.685 0.512 -5.206 85 1HB CYS 14 1HB CYS 14 10.301 -1.755 -7.107 86 2HB CYS 14 2HB CYS 14 11.401 -1.171 -5.844 87 H THR 15 H THR 15 11.604 1.628 -5.291 88 HA THR 15 HA THR 15 11.763 3.246 -7.682 89 HB THR 15 HB THR 15 13.358 4.634 -6.516 90 HG1 THR 15 HG1 THR 15 13.334 4.018 -4.109 91 1HG2 THR 15 1HG2 THR 15 11.787 5.451 -4.769 92 2HG2 THR 15 2HG2 THR 15 10.919 3.873 -4.758 93 3HG2 THR 15 3HG2 THR 15 10.877 4.916 -6.231 94 H ARG 16 H ARG 16 13.636 3.775 -8.843 95 HA ARG 16 HA ARG 16 15.994 2.094 -8.518 96 1HB ARG 16 1HB ARG 16 15.352 4.434 -10.383 97 2HB ARG 16 2HB ARG 16 17.019 3.816 -10.171 98 1HG ARG 16 1HG ARG 16 14.668 2.204 -11.279 99 2HG ARG 16 2HG ARG 16 16.010 2.949 -12.206 100 1HD ARG 16 1HD ARG 16 17.674 1.522 -10.894 101 2HD ARG 16 2HD ARG 16 16.286 0.623 -10.168 102 HE ARG 16 HE ARG 16 17.369 0.379 -12.878 103 1HH1 ARG 16 1HH1 ARG 16 14.384 0.009 -10.937 104 2HH1 ARG 16 2HH1 ARG 16 13.731 -1.231 -11.954 105 1HH2 ARG 16 1HH2 ARG 16 16.497 -1.329 -14.169 106 2HH2 ARG 16 2HH2 ARG 16 14.928 -1.978 -13.828 107 H SER 17 H SER 17 17.407 2.624 -6.929 108 HA SER 17 HA SER 17 18.329 5.166 -6.382 109 1HB SER 17 1HB SER 17 15.973 5.397 -5.241 110 2HB SER 17 2HB SER 17 16.581 4.209 -4.052 111 HG SER 17 HG SER 17 17.147 6.099 -3.169 112 H GLN 18 H GLN 18 19.456 5.042 -4.124 113 HA GLN 18 HA GLN 18 20.500 2.410 -3.424 114 1HB GLN 18 1HB GLN 18 22.103 4.582 -4.840 115 2HB GLN 18 2HB GLN 18 22.914 3.334 -3.824 116 1HG GLN 18 1HG GLN 18 21.933 1.508 -5.301 117 2HG GLN 18 2HG GLN 18 21.219 2.760 -6.358 118 1HE2 GLN 18 1HE2 GLN 18 24.138 1.078 -5.514 119 2HE2 GLN 18 2HE2 GLN 18 25.194 1.903 -6.658 120 HA PRO 19 HA PRO 19 20.247 1.715 -1.386 121 1HB PRO 19 1HB PRO 19 18.749 1.922 0.947 122 2HB PRO 19 2HB PRO 19 20.579 1.989 0.949 123 1HG PRO 19 1HG PRO 19 18.627 4.367 0.900 124 2HG PRO 19 2HG PRO 19 19.983 4.067 2.065 125 1HD PRO 19 1HD PRO 19 20.308 5.648 -0.181 126 2HD PRO 19 2HD PRO 19 21.646 4.548 0.379 127 HA PRO 20 HA PRO 20 16.375 2.181 -3.453 128 1HB PRO 20 1HB PRO 20 15.222 -0.306 -3.260 129 2HB PRO 20 2HB PRO 20 16.819 -0.082 -4.079 130 1HG PRO 20 1HG PRO 20 16.328 -0.892 -1.152 131 2HG PRO 20 2HG PRO 20 17.315 -1.778 -2.393 132 1HD PRO 20 1HD PRO 20 18.453 0.012 -0.608 133 2HD PRO 20 2HD PRO 20 19.039 -0.089 -2.348 134 H THR 21 H THR 21 13.905 1.885 -3.231 135 HA THR 21 HA THR 21 12.858 1.795 -0.524 136 HB THR 21 HB THR 21 11.608 4.113 -1.333 137 HG1 THR 21 HG1 THR 21 14.318 4.568 -1.898 138 1HG2 THR 21 1HG2 THR 21 14.285 3.999 0.215 139 2HG2 THR 21 2HG2 THR 21 12.661 3.622 0.901 140 3HG2 THR 21 3HG2 THR 21 13.043 5.284 0.331 141 H CYS 22 H CYS 22 10.551 1.514 -0.544 142 HA CYS 22 HA CYS 22 9.330 1.449 -3.199 143 1HB CYS 22 1HB CYS 22 10.629 -0.711 -2.882 144 2HB CYS 22 2HB CYS 22 9.608 -1.050 -1.482 145 H ARG 23 H ARG 23 7.049 0.750 -3.036 146 HA ARG 23 HA ARG 23 5.670 2.067 -0.825 147 1HB ARG 23 1HB ARG 23 6.756 3.324 -3.387 148 2HB ARG 23 2HB ARG 23 5.112 3.837 -2.906 149 1HG ARG 23 1HG ARG 23 7.561 4.147 -1.138 150 2HG ARG 23 2HG ARG 23 6.872 5.422 -2.197 151 1HD ARG 23 1HD ARG 23 5.386 4.088 0.167 152 2HD ARG 23 2HD ARG 23 6.113 5.739 0.179 153 HE ARG 23 HE ARG 23 3.580 4.888 -0.992 154 1HH1 ARG 23 1HH1 ARG 23 6.165 7.337 -1.391 155 2HH1 ARG 23 2HH1 ARG 23 5.123 8.494 -2.130 156 1HH2 ARG 23 1HH2 ARG 23 2.264 6.340 -1.995 157 2HH2 ARG 23 2HH2 ARG 23 2.798 7.914 -2.495 158 H CYS 24 H CYS 24 3.574 2.006 -1.023 159 HA CYS 24 HA CYS 24 2.308 0.760 -3.403 160 1HB CYS 24 1HB CYS 24 1.196 1.410 -0.626 161 2HB CYS 24 2HB CYS 24 0.211 0.735 -1.963 162 H VAL 25 H VAL 25 0.330 1.915 -4.087 163 HA VAL 25 HA VAL 25 0.290 4.813 -4.120 164 HB VAL 25 HB VAL 25 0.742 4.648 -6.658 165 1HG1 VAL 25 1HG1 VAL 25 2.493 5.609 -5.026 166 2HG1 VAL 25 2HG1 VAL 25 3.145 4.899 -6.559 167 3HG1 VAL 25 3HG1 VAL 25 3.275 3.975 -5.041 168 1HG2 VAL 25 1HG2 VAL 25 2.174 2.047 -5.818 169 2HG2 VAL 25 2HG2 VAL 25 2.074 2.747 -7.478 170 3HG2 VAL 25 3HG2 VAL 25 0.598 2.072 -6.684 171 H ASP 26 H ASP 26 -1.556 3.200 -3.239 172 HA ASP 26 HA ASP 26 -3.656 3.482 -5.215 173 1HB ASP 26 1HB ASP 26 -4.847 1.557 -3.893 174 2HB ASP 26 2HB ASP 26 -3.615 1.095 -5.103 175 HD2 ASP 26 HD2 ASP 26 -2.042 0.007 -4.469 176 H VAL 27 H VAL 27 -5.627 4.333 -4.336 177 HA VAL 27 HA VAL 27 -5.460 5.263 -1.561 178 HB VAL 27 HB VAL 27 -6.806 6.595 -3.919 179 1HG1 VAL 27 1HG1 VAL 27 -7.927 7.102 -1.736 180 2HG1 VAL 27 2HG1 VAL 27 -6.904 8.509 -2.183 181 3HG1 VAL 27 3HG1 VAL 27 -6.318 7.343 -0.940 182 1HG2 VAL 27 1HG2 VAL 27 -4.367 6.827 -4.163 183 2HG2 VAL 27 2HG2 VAL 27 -4.209 7.116 -2.381 184 3HG2 VAL 27 3HG2 VAL 27 -4.982 8.366 -3.439 185 H ARG 28 H ARG 28 -6.332 3.441 -0.889 186 HA ARG 28 HA ARG 28 -9.203 3.113 -0.958 187 1HB ARG 28 1HB ARG 28 -7.263 1.318 -2.421 188 2HB ARG 28 2HB ARG 28 -8.576 0.494 -1.503 189 1HG ARG 28 1HG ARG 28 -10.308 1.715 -2.702 190 2HG ARG 28 2HG ARG 28 -9.054 2.563 -3.695 191 1HD ARG 28 1HD ARG 28 -8.279 0.439 -4.646 192 2HD ARG 28 2HD ARG 28 -9.353 -0.512 -3.552 193 HE ARG 28 HE ARG 28 -10.183 1.200 -5.897 194 1HH1 ARG 28 1HH1 ARG 28 -11.224 -0.932 -3.217 195 2HH1 ARG 28 2HH1 ARG 28 -12.867 -1.017 -3.768 196 1HH2 ARG 28 1HH2 ARG 28 -12.391 1.115 -6.559 197 2HH2 ARG 28 2HH2 ARG 28 -13.535 0.172 -5.662 198 H GLU 29 H GLU 29 -6.583 0.907 -0.613 199 HA GLU 29 HA GLU 29 -7.349 -0.415 1.439 200 1HB GLU 29 1HB GLU 29 -4.680 0.020 0.190 201 2HB GLU 29 2HB GLU 29 -4.854 -1.152 1.541 202 1HG GLU 29 1HG GLU 29 -6.484 -2.511 0.295 203 2HG GLU 29 2HG GLU 29 -6.518 -1.342 -1.078 204 HE2 GLU 29 HE2 GLU 29 -3.278 -1.910 -1.963 205 H SER 30 H SER 30 -7.737 -0.124 3.252 206 HA SER 30 HA SER 30 -6.578 1.580 5.190 207 1HB SER 30 1HB SER 30 -7.565 0.024 6.945 208 2HB SER 30 2HB SER 30 -8.754 0.616 5.730 209 HG SER 30 HG SER 30 -9.051 -1.569 6.016 210 H CYS 31 H CYS 31 -5.300 1.109 7.058 211 HA CYS 31 HA CYS 31 -2.860 0.056 5.943 212 1HB CYS 31 1HB CYS 31 -3.594 1.495 8.516 213 2HB CYS 31 2HB CYS 31 -1.874 1.074 8.121 214 H HIS 32 H HIS 32 -1.210 -1.049 7.355 215 HA HIS 32 HA HIS 32 -2.315 -2.776 9.400 216 1HB HIS 32 1HB HIS 32 -0.585 -3.860 7.112 217 2HB HIS 32 2HB HIS 32 -1.150 -4.822 8.550 218 HD1 HIS 32 HD1 HIS 32 -2.257 -3.437 5.299 219 HD2 HIS 32 HD2 HIS 32 -3.715 -5.889 8.367 220 HE1 HIS 32 HE1 HIS 32 -4.275 -4.576 4.397 221 HE2 HIS 32 HE2 HIS 32 -5.145 -6.106 6.259 222 H SER 33 H SER 33 0.629 -4.011 9.458 223 HA SER 33 HA SER 33 1.396 -2.049 11.327 224 1HB SER 33 1HB SER 33 2.637 -4.695 10.395 225 2HB SER 33 2HB SER 33 3.132 -3.807 11.878 226 HG SER 33 HG SER 33 1.705 -5.414 12.350 227 H ALA 34 H ALA 34 2.907 -3.196 8.233 228 HA ALA 34 HA ALA 34 5.197 -1.702 8.452 229 1HB ALA 34 1HB ALA 34 4.897 -3.621 6.860 230 2HB ALA 34 2HB ALA 34 5.455 -2.153 6.012 231 3HB ALA 34 3HB ALA 34 3.716 -2.645 5.919 232 H CYS 35 H CYS 35 2.179 -0.461 8.070 233 HA CYS 35 HA CYS 35 3.111 1.972 6.649 234 1HB CYS 35 1HB CYS 35 1.296 0.668 5.537 235 2HB CYS 35 2HB CYS 35 0.265 0.940 7.007 236 H ASP 36 H ASP 36 3.720 3.529 8.116 237 HA ASP 36 HA ASP 36 2.201 3.849 10.581 238 1HB ASP 36 1HB ASP 36 4.014 5.431 11.189 239 2HB ASP 36 2HB ASP 36 4.668 3.845 10.683 240 HD2 ASP 36 HD2 ASP 36 5.156 6.962 10.438 241 H LYS 37 H LYS 37 3.156 6.032 7.827 242 HA LYS 37 HA LYS 37 1.157 7.910 8.668 243 1HB LYS 37 1HB LYS 37 3.445 8.608 7.831 244 2HB LYS 37 2HB LYS 37 2.958 8.066 6.214 245 1HG LYS 37 1HG LYS 37 2.707 10.465 6.365 246 2HG LYS 37 2HG LYS 37 1.087 9.729 6.172 247 1HD LYS 37 1HD LYS 37 0.568 10.067 8.554 248 2HD LYS 37 2HD LYS 37 2.257 10.591 8.898 249 1HE LYS 37 1HE LYS 37 1.982 12.634 7.546 250 2HE LYS 37 2HE LYS 37 0.345 12.103 6.996 251 1HZ LYS 37 1HZ LYS 37 1.126 12.677 9.807 252 2HZ LYS 37 2HZ LYS 37 -0.412 12.209 9.260 253 3HZ LYS 37 3HZ LYS 37 0.244 13.693 8.769 254 H CYS 38 H CYS 38 -0.631 6.611 8.476 255 HA CYS 38 HA CYS 38 -1.899 6.175 5.912 256 1HB CYS 38 1HB CYS 38 -2.658 6.081 8.893 257 2HB CYS 38 2HB CYS 38 -3.748 5.451 7.586 258 H VAL 39 H VAL 39 -2.750 8.061 4.857 259 HA VAL 39 HA VAL 39 -4.317 9.764 6.674 260 HB VAL 39 HB VAL 39 -3.624 11.647 5.783 261 1HG1 VAL 39 1HG1 VAL 39 -1.249 9.930 4.902 262 2HG1 VAL 39 2HG1 VAL 39 -1.541 10.548 6.594 263 3HG1 VAL 39 3HG1 VAL 39 -1.269 11.704 5.224 264 1HG2 VAL 39 1HG2 VAL 39 -2.709 11.870 3.461 265 2HG2 VAL 39 2HG2 VAL 39 -4.432 11.314 3.510 266 3HG2 VAL 39 3HG2 VAL 39 -3.088 10.101 3.220 267 H CYS 40 H CYS 40 -6.419 10.418 5.661 268 HA CYS 40 HA CYS 40 -7.236 8.619 3.476 269 1HB CYS 40 1HB CYS 40 -8.440 8.847 6.235 270 2HB CYS 40 2HB CYS 40 -9.220 8.008 4.892 271 H ALA 41 H ALA 41 -8.477 9.439 2.142 272 HA ALA 41 HA ALA 41 -9.604 12.070 2.259 273 1HB ALA 41 1HB ALA 41 -8.603 11.194 0.152 274 2HB ALA 41 2HB ALA 41 -10.341 11.638 -0.022 275 3HB ALA 41 3HB ALA 41 -9.855 9.894 0.127 276 H TYR 42 H TYR 42 -11.695 12.690 2.315 277 HA TYR 42 HA TYR 42 -13.776 10.797 2.889 278 1HB TYR 42 1HB TYR 42 -15.267 12.800 3.001 279 2HB TYR 42 2HB TYR 42 -13.869 12.769 4.103 280 HD1 TYR 42 HD1 TYR 42 -15.271 14.416 1.111 281 HD2 TYR 42 HD2 TYR 42 -11.995 14.355 3.873 282 HE1 TYR 42 HE1 TYR 42 -14.348 16.479 0.050 283 HE2 TYR 42 HE2 TYR 42 -11.138 16.451 2.904 284 HH TYR 42 HH TYR 42 -12.616 17.883 -0.027 285 H SER 43 H SER 43 -13.346 9.669 0.785 286 HA SER 43 HA SER 43 -14.853 10.715 -1.417 287 1HB SER 43 1HB SER 43 -13.023 8.891 -1.535 288 2HB SER 43 2HB SER 43 -14.349 7.771 -0.950 289 HG SER 43 HG SER 43 -14.034 7.824 -3.259 290 H ASN 44 H ASN 44 -16.291 8.201 -1.851 291 HA ASN 44 HA ASN 44 -18.153 7.707 0.269 292 1HB ASN 44 1HB ASN 44 -19.256 9.446 -1.163 293 2HB ASN 44 2HB ASN 44 -19.026 8.413 -2.595 294 1HD2 ASN 44 1HD2 ASN 44 -20.086 6.023 -2.180 295 2HD2 ASN 44 2HD2 ASN 44 -21.629 6.045 -1.384 296 HA PRO 45 HA PRO 45 -17.659 6.075 1.394 297 1HB PRO 45 1HB PRO 45 -16.620 3.642 2.147 298 2HB PRO 45 2HB PRO 45 -18.275 3.737 1.515 299 1HG PRO 45 1HG PRO 45 -15.746 3.079 -0.115 300 2HG PRO 45 2HG PRO 45 -17.232 2.085 0.013 301 1HD PRO 45 1HD PRO 45 -16.866 3.916 -2.042 302 2HD PRO 45 2HD PRO 45 -18.507 3.669 -1.286 303 HA PRO 46 HA PRO 46 -13.703 7.676 1.454 304 1HB PRO 46 1HB PRO 46 -12.652 7.388 4.047 305 2HB PRO 46 2HB PRO 46 -14.081 8.415 3.642 306 1HG PRO 46 1HG PRO 46 -14.134 5.514 4.609 307 2HG PRO 46 2HG PRO 46 -14.996 6.971 5.302 308 1HD PRO 46 1HD PRO 46 -16.263 5.279 3.570 309 2HD PRO 46 2HD PRO 46 -16.449 7.138 3.366 310 H GLN 47 H GLN 47 -11.211 7.533 1.777 311 HA GLN 47 HA GLN 47 -10.282 4.853 1.041 312 1HB GLN 47 1HB GLN 47 -10.405 7.325 -0.778 313 2HB GLN 47 2HB GLN 47 -9.417 5.869 -1.129 314 1HG GLN 47 1HG GLN 47 -11.469 4.439 -1.259 315 2HG GLN 47 2HG GLN 47 -12.494 5.844 -0.801 316 1HE2 GLN 47 1HE2 GLN 47 -9.915 5.335 -3.354 317 2HE2 GLN 47 2HE2 GLN 47 -10.928 6.007 -4.599 318 H CYS 48 H CYS 48 -7.760 4.992 0.688 319 HA CYS 48 HA CYS 48 -6.619 6.852 2.636 320 1HB CYS 48 1HB CYS 48 -7.150 3.854 3.023 321 2HB CYS 48 2HB CYS 48 -5.984 4.786 4.032 322 H GLN 49 H GLN 49 -4.454 6.832 2.757 323 HA GLN 49 HA GLN 49 -3.084 5.177 0.786 324 1HB GLN 49 1HB GLN 49 -3.941 7.554 0.095 325 2HB GLN 49 2HB GLN 49 -2.664 8.185 1.164 326 1HG GLN 49 1HG GLN 49 -0.940 6.791 -0.210 327 2HG GLN 49 2HG GLN 49 -2.284 6.390 -1.349 328 1HE2 GLN 49 1HE2 GLN 49 -3.526 9.080 -1.375 329 2HE2 GLN 49 2HE2 GLN 49 -2.375 10.099 -2.182 330 H CYS 50 H CYS 50 -1.168 4.458 1.323 331 HA CYS 50 HA CYS 50 0.116 5.259 3.846 332 1HB CYS 50 1HB CYS 50 0.659 3.028 1.777 333 2HB CYS 50 2HB CYS 50 1.771 3.358 3.127 334 H TYR 51 H TYR 51 0.756 7.265 3.422 335 HA TYR 51 HA TYR 51 2.210 8.170 1.217 336 1HB TYR 51 1HB TYR 51 1.466 9.237 3.939 337 2HB TYR 51 2HB TYR 51 2.903 9.976 3.202 338 HD1 TYR 51 HD1 TYR 51 2.727 11.380 1.132 339 HD2 TYR 51 HD2 TYR 51 -0.759 9.246 2.606 340 HE1 TYR 51 HE1 TYR 51 1.367 12.528 -0.436 341 HE2 TYR 51 HE2 TYR 51 -2.093 10.383 0.925 342 HH TYR 51 HH TYR 51 -0.816 12.859 -1.285 343 H ASP 52 H ASP 52 3.438 6.617 4.040 344 HA ASP 52 HA ASP 52 6.142 7.594 3.472 345 1HB ASP 52 1HB ASP 52 5.307 7.434 5.886 346 2HB ASP 52 2HB ASP 52 5.435 5.639 5.730 347 HD2 ASP 52 HD2 ASP 52 8.788 5.932 6.477 348 H THR 53 H THR 53 7.819 6.615 2.668 349 HA THR 53 HA THR 53 7.652 3.843 1.802 350 HB THR 53 HB THR 53 8.630 5.444 0.235 351 HG1 THR 53 HG1 THR 53 9.175 3.179 0.190 352 1HG2 THR 53 1HG2 THR 53 10.933 6.171 0.490 353 2HG2 THR 53 2HG2 THR 53 11.060 5.456 2.137 354 3HG2 THR 53 3HG2 THR 53 9.973 6.870 1.838 355 H HIS 54 H HIS 54 8.525 2.180 2.689 356 HA HIS 54 HA HIS 54 10.771 2.317 4.360 357 1HB HIS 54 1HB HIS 54 9.056 2.763 6.191 358 2HB HIS 54 2HB HIS 54 8.226 1.237 5.782 359 HD1 HIS 54 HD1 HIS 54 8.746 1.009 8.379 360 HD2 HIS 54 HD2 HIS 54 12.049 0.565 5.839 361 HE1 HIS 54 HE1 HIS 54 10.504 -0.148 9.700 362 HE2 HIS 54 HE2 HIS 54 12.530 -0.406 8.161 363 H LYS 55 H LYS 55 7.994 0.135 3.874 364 HA LYS 55 HA LYS 55 9.501 -2.112 3.550 365 1HB LYS 55 1HB LYS 55 7.274 -3.088 3.650 366 2HB LYS 55 2HB LYS 55 7.345 -1.738 4.749 367 1HG LYS 55 1HG LYS 55 6.097 -1.431 1.937 368 2HG LYS 55 2HG LYS 55 5.210 -1.990 3.387 369 1HD LYS 55 1HD LYS 55 5.961 0.135 4.591 370 2HD LYS 55 2HD LYS 55 6.423 0.782 2.964 371 1HE LYS 55 1HE LYS 55 4.074 0.543 2.174 372 2HE LYS 55 2HE LYS 55 3.606 -0.214 3.756 373 1HZ LYS 55 1HZ LYS 55 4.677 2.542 3.382 374 2HZ LYS 55 2HZ LYS 55 4.272 1.812 4.859 375 3HZ LYS 55 3HZ LYS 55 3.065 2.115 3.702 376 H PHE 56 H PHE 56 7.994 -3.641 1.797 377 HA PHE 56 HA PHE 56 8.818 -2.721 -0.850 378 1HB PHE 56 1HB PHE 56 9.482 -5.109 -1.320 379 2HB PHE 56 2HB PHE 56 10.459 -4.337 -0.041 380 HD1 PHE 56 HD1 PHE 56 9.948 -4.834 2.416 381 HD2 PHE 56 HD2 PHE 56 8.171 -7.076 -0.811 382 HE1 PHE 56 HE1 PHE 56 9.330 -6.622 3.984 383 HE2 PHE 56 HE2 PHE 56 7.598 -8.870 0.772 384 HZ PHE 56 HZ PHE 56 8.153 -8.639 3.174 385 H CYS 57 H CYS 57 7.703 -4.646 -2.502 386 HA CYS 57 HA CYS 57 4.896 -4.014 -2.165 387 1HB CYS 57 1HB CYS 57 6.392 -5.584 -4.311 388 2HB CYS 57 2HB CYS 57 4.630 -5.257 -4.338 389 H TYR 58 H TYR 58 3.577 -5.127 -1.039 390 HA TYR 58 HA TYR 58 4.136 -7.916 -0.324 391 1HB TYR 58 1HB TYR 58 2.002 -5.882 0.516 392 2HB TYR 58 2HB TYR 58 1.888 -7.595 0.988 393 HD1 TYR 58 HD1 TYR 58 3.773 -4.445 1.519 394 HD2 TYR 58 HD2 TYR 58 3.640 -8.672 2.432 395 HE1 TYR 58 HE1 TYR 58 5.395 -4.143 3.266 396 HE2 TYR 58 HE2 TYR 58 5.237 -8.337 4.204 397 HH TYR 58 HH TYR 58 6.457 -6.721 5.458 398 H LYS 59 H LYS 59 2.377 -9.444 -0.326 399 HA LYS 59 HA LYS 59 1.331 -10.182 -2.755 400 1HB LYS 59 1HB LYS 59 0.420 -10.748 0.094 401 2HB LYS 59 2HB LYS 59 -0.168 -11.657 -1.347 402 1HG LYS 59 1HG LYS 59 1.882 -12.780 -1.658 403 2HG LYS 59 2HG LYS 59 2.859 -11.509 -0.896 404 1HD LYS 59 1HD LYS 59 1.825 -12.108 1.356 405 2HD LYS 59 2HD LYS 59 1.087 -13.546 0.566 406 1HE LYS 59 1HE LYS 59 3.350 -14.416 -0.026 407 2HE LYS 59 2HE LYS 59 4.118 -12.886 0.562 408 1HZ LYS 59 1HZ LYS 59 2.604 -14.835 2.215 409 2HZ LYS 59 2HZ LYS 59 3.299 -13.386 2.768 410 3HZ LYS 59 3HZ LYS 59 4.291 -14.624 2.171 411 H ALA 60 H ALA 60 -0.674 -10.109 -3.742 412 HA ALA 60 HA ALA 60 -2.166 -7.740 -3.337 413 1HB ALA 60 1HB ALA 60 -3.551 -8.634 -5.224 414 2HB ALA 60 2HB ALA 60 -2.698 -10.222 -5.043 415 3HB ALA 60 3HB ALA 60 -1.790 -8.764 -5.564 416 H CYS 61 H CYS 61 -4.171 -7.370 -2.646 417 HA CYS 61 HA CYS 61 -4.849 -9.092 -0.409 418 1HB CYS 61 1HB CYS 61 -4.317 -6.426 -0.479 419 2HB CYS 61 2HB CYS 61 -6.076 -6.328 -0.659 420 H HIS 62 H HIS 62 -6.305 -10.618 -0.984 421 HA HIS 62 HA HIS 62 -8.894 -9.608 -2.069 422 1HB HIS 62 1HB HIS 62 -7.375 -12.148 -2.746 423 2HB HIS 62 2HB HIS 62 -9.094 -11.897 -3.177 424 HD1 HIS 62 HD1 HIS 62 -9.656 -9.888 -4.705 425 HD2 HIS 62 HD2 HIS 62 -5.528 -10.366 -4.160 426 HE1 HIS 62 HE1 HIS 62 -8.538 -8.296 -6.271 427 HE2 HIS 62 HE2 HIS 62 -6.025 -8.551 -5.887 428 H ASN 63 H ASN 63 -10.703 -10.071 -0.940 429 HA ASN 63 HA ASN 63 -11.111 -12.142 0.789 430 1HB ASN 63 1HB ASN 63 -11.149 -10.641 2.922 431 2HB ASN 63 2HB ASN 63 -9.603 -11.384 2.438 432 1HD2 ASN 63 1HD2 ASN 63 -7.787 -9.840 1.785 433 2HD2 ASN 63 2HD2 ASN 63 -8.047 -8.157 1.962 434 H SER 64 H SER 64 -11.785 -8.710 1.197 435 HA SER 64 HA SER 64 -14.645 -9.129 0.695 436 1HB SER 64 1HB SER 64 -13.738 -7.602 2.495 437 2HB SER 64 2HB SER 64 -13.217 -6.470 1.205 438 HG SER 64 HG SER 64 -15.367 -6.101 2.175 439 H GLU 65 H GLU 65 -14.379 -9.913 -1.460 440 HA GLU 65 HA GLU 65 -13.656 -8.318 -3.698 441 1HB GLU 65 1HB GLU 65 -15.741 -10.567 -3.648 442 2HB GLU 65 2HB GLU 65 -14.853 -9.936 -5.066 443 1HG GLU 65 1HG GLU 65 -13.731 -11.697 -2.766 444 2HG GLU 65 2HG GLU 65 -14.038 -12.149 -4.455 445 HE2 GLU 65 HE2 GLU 65 -11.918 -12.781 -3.611 446 H ILE 66 H ILE 66 -16.568 -8.844 -1.890 447 HA ILE 66 HA ILE 66 -17.796 -6.400 -2.586 448 HB ILE 66 HB ILE 66 -20.008 -7.454 -3.126 449 1HG1 ILE 66 1HG1 ILE 66 -18.419 -10.021 -3.757 450 2HG1 ILE 66 2HG1 ILE 66 -19.417 -9.805 -2.284 451 1HG2 ILE 66 1HG2 ILE 66 -17.878 -8.117 -5.236 452 2HG2 ILE 66 2HG2 ILE 66 -18.468 -6.448 -4.881 453 3HG2 ILE 66 3HG2 ILE 66 -19.597 -7.701 -5.519 454 1HD1 ILE 66 1HD1 ILE 66 -20.458 -9.731 -5.198 455 2HD1 ILE 66 2HD1 ILE 66 -21.450 -9.363 -3.743 456 3HD1 ILE 66 3HD1 ILE 66 -20.749 -11.008 -3.965 457 H GLU 67 H GLU 67 -19.798 -6.215 -1.133 458 HA GLU 67 HA GLU 67 -19.516 -7.901 1.255 459 1HB GLU 67 1HB GLU 67 -20.380 -5.986 2.552 460 2HB GLU 67 2HB GLU 67 -18.753 -5.680 1.868 461 1HG GLU 67 1HG GLU 67 -21.370 -4.606 0.591 462 2HG GLU 67 2HG GLU 67 -20.413 -3.704 1.815 463 HE2 GLU 67 HE2 GLU 67 -17.929 -2.796 -0.370 Start of MODEL 10 1 1H GLY 1 1H GLY 1 -7.994 -15.436 10.019 2 2H GLY 1 2H GLY 1 -6.465 -16.022 10.486 3 3H GLY 1 3H GLY 1 -6.584 -14.730 9.386 4 1HA GLY 1 1HA GLY 1 -7.593 -14.641 12.135 5 2HA GLY 1 2HA GLY 1 -5.952 -14.070 11.627 6 H ASP 2 H ASP 2 -7.350 -12.236 12.896 7 HA ASP 2 HA ASP 2 -7.927 -10.223 10.842 8 1HB ASP 2 1HB ASP 2 -9.918 -11.008 13.110 9 2HB ASP 2 2HB ASP 2 -10.130 -9.631 11.976 10 HD2 ASP 2 HD2 ASP 2 -10.828 -11.777 9.267 11 H ASP 3 H ASP 3 -5.933 -10.913 12.748 12 HA ASP 3 HA ASP 3 -5.590 -8.536 14.316 13 1HB ASP 3 1HB ASP 3 -5.094 -9.805 16.403 14 2HB ASP 3 2HB ASP 3 -6.825 -9.900 15.942 15 HD2 ASP 3 HD2 ASP 3 -6.712 -13.328 15.172 16 H VAL 4 H VAL 4 -4.400 -8.742 12.180 17 HA VAL 4 HA VAL 4 -1.746 -9.792 12.733 18 HB VAL 4 HB VAL 4 -3.025 -11.397 11.354 19 1HG1 VAL 4 1HG1 VAL 4 -3.398 -10.900 8.933 20 2HG1 VAL 4 2HG1 VAL 4 -2.890 -9.195 9.166 21 3HG1 VAL 4 3HG1 VAL 4 -4.388 -9.810 9.959 22 1HG2 VAL 4 1HG2 VAL 4 -0.551 -11.356 11.373 23 2HG2 VAL 4 2HG2 VAL 4 -0.517 -10.133 10.052 24 3HG2 VAL 4 3HG2 VAL 4 -1.165 -11.776 9.739 25 H LYS 5 H LYS 5 -0.111 -8.495 12.083 26 HA LYS 5 HA LYS 5 -0.907 -5.765 11.663 27 1HB LYS 5 1HB LYS 5 1.782 -7.129 12.192 28 2HB LYS 5 2HB LYS 5 1.579 -5.361 12.189 29 1HG LYS 5 1HG LYS 5 0.025 -7.262 14.083 30 2HG LYS 5 2HG LYS 5 1.585 -6.516 14.505 31 1HD LYS 5 1HD LYS 5 -0.809 -4.778 13.667 32 2HD LYS 5 2HD LYS 5 -0.675 -5.456 15.312 33 1HE LYS 5 1HE LYS 5 1.471 -4.337 15.734 34 2HE LYS 5 2HE LYS 5 1.509 -3.683 14.045 35 1HZ LYS 5 1HZ LYS 5 0.686 -2.087 15.634 36 2HZ LYS 5 2HZ LYS 5 -0.582 -3.122 16.084 37 3HZ LYS 5 3HZ LYS 5 -0.520 -2.498 14.510 38 H SER 6 H SER 6 -0.340 -8.152 9.623 39 HA SER 6 HA SER 6 1.411 -7.360 7.674 40 1HB SER 6 1HB SER 6 -1.177 -8.999 7.355 41 2HB SER 6 2HB SER 6 0.063 -8.845 6.055 42 HG SER 6 HG SER 6 0.443 -10.696 7.275 43 H ALA 7 H ALA 7 1.348 -6.464 5.643 44 HA ALA 7 HA ALA 7 -0.735 -4.493 5.122 45 1HB ALA 7 1HB ALA 7 0.876 -3.849 3.243 46 2HB ALA 7 2HB ALA 7 1.895 -5.260 3.692 47 3HB ALA 7 3HB ALA 7 1.723 -3.908 4.840 48 H CYS 8 H CYS 8 -1.859 -4.434 3.073 49 HA CYS 8 HA CYS 8 -1.391 -6.775 1.327 50 1HB CYS 8 1HB CYS 8 -3.704 -6.925 1.982 51 2HB CYS 8 2HB CYS 8 -3.972 -5.183 1.718 52 H CYS 9 H CYS 9 -0.361 -6.228 -0.592 53 HA CYS 9 HA CYS 9 -0.732 -3.464 -1.553 54 1HB CYS 9 1HB CYS 9 1.489 -3.964 -0.237 55 2HB CYS 9 2HB CYS 9 1.938 -4.997 -1.610 56 H ASP 10 H ASP 10 -1.843 -3.839 -3.557 57 HA ASP 10 HA ASP 10 -1.047 -6.247 -5.067 58 1HB ASP 10 1HB ASP 10 -3.418 -4.327 -5.169 59 2HB ASP 10 2HB ASP 10 -2.998 -5.217 -6.610 60 HD2 ASP 10 HD2 ASP 10 -3.543 -5.720 -3.263 61 H THR 11 H THR 11 -0.513 -2.773 -5.217 62 HA THR 11 HA THR 11 0.720 -2.940 -7.863 63 HB THR 11 HB THR 11 -1.629 -1.063 -7.142 64 HG1 THR 11 HG1 THR 11 -2.867 -2.245 -8.525 65 1HG2 THR 11 1HG2 THR 11 -1.575 -0.475 -9.555 66 2HG2 THR 11 2HG2 THR 11 -0.279 -1.691 -9.866 67 3HG2 THR 11 3HG2 THR 11 0.068 -0.221 -8.896 68 H CYS 12 H CYS 12 2.474 -1.611 -7.811 69 HA CYS 12 HA CYS 12 2.708 0.405 -5.738 70 1HB CYS 12 1HB CYS 12 4.556 -0.938 -4.705 71 2HB CYS 12 2HB CYS 12 2.904 -1.711 -4.636 72 H LEU 13 H LEU 13 4.161 1.854 -5.878 73 HA LEU 13 HA LEU 13 5.820 1.994 -8.277 74 1HB LEU 13 1HB LEU 13 4.395 3.871 -7.758 75 2HB LEU 13 2HB LEU 13 5.100 4.057 -6.123 76 HG LEU 13 HG LEU 13 6.782 4.245 -8.703 77 1HD1 LEU 13 1HD1 LEU 13 5.225 6.531 -7.330 78 2HD1 LEU 13 2HD1 LEU 13 4.790 5.749 -8.890 79 3HD1 LEU 13 3HD1 LEU 13 6.325 6.680 -8.752 80 1HD2 LEU 13 1HD2 LEU 13 8.163 5.868 -7.339 81 2HD2 LEU 13 2HD2 LEU 13 8.158 4.224 -6.622 82 3HD2 LEU 13 3HD2 LEU 13 7.126 5.514 -5.904 83 H CYS 14 H CYS 14 7.565 0.813 -8.035 84 HA CYS 14 HA CYS 14 9.170 1.183 -5.617 85 1HB CYS 14 1HB CYS 14 9.561 -0.829 -7.856 86 2HB CYS 14 2HB CYS 14 10.683 -0.565 -6.517 87 H THR 15 H THR 15 10.781 2.473 -5.556 88 HA THR 15 HA THR 15 11.402 4.120 -7.851 89 HB THR 15 HB THR 15 13.118 5.188 -6.368 90 HG1 THR 15 HG1 THR 15 11.840 3.751 -4.307 91 1HG2 THR 15 1HG2 THR 15 10.234 4.926 -5.218 92 2HG2 THR 15 2HG2 THR 15 10.734 5.998 -6.560 93 3HG2 THR 15 3HG2 THR 15 11.397 6.268 -4.910 94 H ARG 16 H ARG 16 13.376 4.429 -8.889 95 HA ARG 16 HA ARG 16 15.406 2.377 -8.701 96 1HB ARG 16 1HB ARG 16 15.315 4.917 -10.413 97 2HB ARG 16 2HB ARG 16 16.582 3.639 -10.467 98 1HG ARG 16 1HG ARG 16 14.906 1.961 -11.133 99 2HG ARG 16 2HG ARG 16 13.605 3.210 -11.099 100 1HD ARG 16 1HD ARG 16 14.723 4.463 -12.960 101 2HD ARG 16 2HD ARG 16 16.040 3.206 -13.008 102 HE ARG 16 HE ARG 16 13.414 1.962 -13.125 103 1HH1 ARG 16 1HH1 ARG 16 15.680 3.862 -15.141 104 2HH1 ARG 16 2HH1 ARG 16 15.141 3.151 -16.626 105 1HH2 ARG 16 1HH2 ARG 16 12.744 1.016 -15.117 106 2HH2 ARG 16 2HH2 ARG 16 13.446 1.530 -16.617 107 H SER 17 H SER 17 16.982 2.600 -7.132 108 HA SER 17 HA SER 17 18.188 5.007 -6.369 109 1HB SER 17 1HB SER 17 15.804 5.396 -5.346 110 2HB SER 17 2HB SER 17 16.191 4.068 -4.217 111 HG SER 17 HG SER 17 16.679 6.322 -3.526 112 H GLN 18 H GLN 18 18.711 4.425 -3.703 113 HA GLN 18 HA GLN 18 19.899 1.762 -3.546 114 1HB GLN 18 1HB GLN 18 21.496 4.370 -3.747 115 2HB GLN 18 2HB GLN 18 22.174 2.840 -3.077 116 1HG GLN 18 1HG GLN 18 21.589 1.719 -5.352 117 2HG GLN 18 2HG GLN 18 21.249 3.358 -5.988 118 1HE2 GLN 18 1HE2 GLN 18 23.793 1.605 -4.111 119 2HE2 GLN 18 2HE2 GLN 18 25.145 2.340 -4.935 120 HA PRO 19 HA PRO 19 19.017 0.494 -2.133 121 1HB PRO 19 1HB PRO 19 17.129 -0.110 -0.189 122 2HB PRO 19 2HB PRO 19 18.925 -0.198 0.142 123 1HG PRO 19 1HG PRO 19 17.035 2.153 0.747 124 2HG PRO 19 2HG PRO 19 18.152 1.296 1.893 125 1HD PRO 19 1HD PRO 19 18.898 3.610 0.579 126 2HD PRO 19 2HD PRO 19 20.099 2.261 0.840 127 HA PRO 20 HA PRO 20 15.218 2.058 -4.045 128 1HB PRO 20 1HB PRO 20 13.940 -0.218 -4.880 129 2HB PRO 20 2HB PRO 20 15.520 0.264 -5.607 130 1HG PRO 20 1HG PRO 20 15.050 -1.712 -3.302 131 2HG PRO 20 2HG PRO 20 15.989 -1.999 -4.825 132 1HD PRO 20 1HD PRO 20 17.181 -1.198 -2.437 133 2HD PRO 20 2HD PRO 20 17.810 -0.618 -4.059 134 H THR 21 H THR 21 12.899 1.953 -3.734 135 HA THR 21 HA THR 21 12.102 1.414 -0.930 136 HB THR 21 HB THR 21 12.349 4.225 -2.204 137 HG1 THR 21 HG1 THR 21 14.440 3.454 -1.611 138 1HG2 THR 21 1HG2 THR 21 11.820 5.038 0.048 139 2HG2 THR 21 2HG2 THR 21 11.970 3.384 0.737 140 3HG2 THR 21 3HG2 THR 21 10.586 3.776 -0.317 141 H CYS 22 H CYS 22 9.839 1.159 -0.879 142 HA CYS 22 HA CYS 22 8.417 1.852 -3.382 143 1HB CYS 22 1HB CYS 22 9.744 -0.379 -3.499 144 2HB CYS 22 2HB CYS 22 8.645 -1.011 -2.251 145 H ARG 23 H ARG 23 6.189 1.454 -3.381 146 HA ARG 23 HA ARG 23 4.730 0.930 -0.988 147 1HB ARG 23 1HB ARG 23 5.808 3.111 -0.404 148 2HB ARG 23 2HB ARG 23 5.019 3.893 -1.795 149 1HG ARG 23 1HG ARG 23 3.382 2.537 0.443 150 2HG ARG 23 2HG ARG 23 4.127 4.093 0.710 151 1HD ARG 23 1HD ARG 23 2.397 3.777 -1.795 152 2HD ARG 23 2HD ARG 23 1.664 4.158 -0.164 153 HE ARG 23 HE ARG 23 3.734 5.895 -0.247 154 1HH1 ARG 23 1HH1 ARG 23 1.219 5.352 -2.798 155 2HH1 ARG 23 2HH1 ARG 23 1.243 7.005 -3.262 156 1HH2 ARG 23 1HH2 ARG 23 3.708 7.878 -0.813 157 2HH2 ARG 23 2HH2 ARG 23 2.712 8.568 -2.078 158 H CYS 24 H CYS 24 2.519 0.993 -1.283 159 HA CYS 24 HA CYS 24 1.740 0.281 -3.864 160 1HB CYS 24 1HB CYS 24 -0.148 0.749 -1.499 161 2HB CYS 24 2HB CYS 24 -0.307 -0.471 -2.800 162 H VAL 25 H VAL 25 0.990 1.636 -5.492 163 HA VAL 25 HA VAL 25 -0.022 4.232 -4.971 164 HB VAL 25 HB VAL 25 -0.590 4.338 -7.331 165 1HG1 VAL 25 1HG1 VAL 25 2.220 3.192 -6.736 166 2HG1 VAL 25 2HG1 VAL 25 1.697 4.891 -6.433 167 3HG1 VAL 25 3HG1 VAL 25 1.763 4.253 -8.117 168 1HG2 VAL 25 1HG2 VAL 25 -1.245 1.943 -7.752 169 2HG2 VAL 25 2HG2 VAL 25 0.466 1.428 -7.474 170 3HG2 VAL 25 3HG2 VAL 25 0.051 2.483 -8.862 171 H ASP 26 H ASP 26 -1.262 1.107 -4.892 172 HA ASP 26 HA ASP 26 -3.950 1.633 -5.523 173 1HB ASP 26 1HB ASP 26 -2.559 -0.678 -5.266 174 2HB ASP 26 2HB ASP 26 -3.303 -0.684 -3.631 175 HD2 ASP 26 HD2 ASP 26 -5.783 -0.109 -3.829 176 H VAL 27 H VAL 27 -5.404 2.696 -4.476 177 HA VAL 27 HA VAL 27 -5.365 3.372 -1.719 178 HB VAL 27 HB VAL 27 -6.521 4.914 -2.790 179 1HG1 VAL 27 1HG1 VAL 27 -6.560 4.146 -5.042 180 2HG1 VAL 27 2HG1 VAL 27 -8.246 4.495 -4.581 181 3HG1 VAL 27 3HG1 VAL 27 -7.718 2.779 -4.647 182 1HG2 VAL 27 1HG2 VAL 27 -8.146 4.046 -1.010 183 2HG2 VAL 27 2HG2 VAL 27 -8.872 2.961 -2.260 184 3HG2 VAL 27 3HG2 VAL 27 -8.972 4.731 -2.459 185 H ARG 28 H ARG 28 -6.396 2.665 0.057 186 HA ARG 28 HA ARG 28 -7.534 -0.041 -0.089 187 1HB ARG 28 1HB ARG 28 -5.784 1.372 1.961 188 2HB ARG 28 2HB ARG 28 -6.698 -0.119 2.372 189 1HG ARG 28 1HG ARG 28 -4.792 -0.023 -0.013 190 2HG ARG 28 2HG ARG 28 -4.218 -0.409 1.655 191 1HD ARG 28 1HD ARG 28 -5.574 -2.401 1.809 192 2HD ARG 28 2HD ARG 28 -6.572 -1.925 0.385 193 HE ARG 28 HE ARG 28 -3.698 -2.901 0.332 194 1HH1 ARG 28 1HH1 ARG 28 -6.694 -2.068 -1.440 195 2HH1 ARG 28 2HH1 ARG 28 -6.131 -2.714 -2.948 196 1HH2 ARG 28 1HH2 ARG 28 -2.978 -3.728 -1.700 197 2HH2 ARG 28 2HH2 ARG 28 -4.018 -3.637 -3.101 198 H GLU 29 H GLU 29 -9.031 -0.544 1.638 199 HA GLU 29 HA GLU 29 -11.128 1.252 2.088 200 1HB GLU 29 1HB GLU 29 -10.241 -1.352 3.383 201 2HB GLU 29 2HB GLU 29 -11.781 -0.518 3.776 202 1HG GLU 29 1HG GLU 29 -12.156 -0.650 1.082 203 2HG GLU 29 2HG GLU 29 -10.936 -1.963 1.181 204 HE2 GLU 29 HE2 GLU 29 -13.910 -0.788 2.369 205 H SER 30 H SER 30 -8.290 0.382 3.950 206 HA SER 30 HA SER 30 -8.715 2.615 5.757 207 1HB SER 30 1HB SER 30 -8.280 -0.285 6.776 208 2HB SER 30 2HB SER 30 -8.454 1.173 7.824 209 HG SER 30 HG SER 30 -10.395 0.408 7.879 210 H CYS 31 H CYS 31 -6.671 1.875 7.646 211 HA CYS 31 HA CYS 31 -4.284 1.868 5.958 212 1HB CYS 31 1HB CYS 31 -4.968 2.537 8.871 213 2HB CYS 31 2HB CYS 31 -3.241 2.410 8.328 214 H HIS 32 H HIS 32 -2.372 0.625 6.981 215 HA HIS 32 HA HIS 32 -3.208 -1.815 8.328 216 1HB HIS 32 1HB HIS 32 -1.655 -3.198 7.038 217 2HB HIS 32 2HB HIS 32 -2.938 -2.483 5.956 218 HD1 HIS 32 HD1 HIS 32 0.676 -2.005 6.930 219 HD2 HIS 32 HD2 HIS 32 -1.870 -1.253 3.691 220 HE1 HIS 32 HE1 HIS 32 2.128 -1.234 5.051 221 HE2 HIS 32 HE2 HIS 32 0.574 -0.795 3.068 222 H SER 33 H SER 33 -1.729 -2.519 9.843 223 HA SER 33 HA SER 33 -0.261 -0.484 10.966 224 1HB SER 33 1HB SER 33 -0.146 -3.516 11.507 225 2HB SER 33 2HB SER 33 0.496 -2.256 12.631 226 HG SER 33 HG SER 33 -1.560 -1.412 12.812 227 H ALA 34 H ALA 34 1.065 -3.034 8.861 228 HA ALA 34 HA ALA 34 3.650 -2.882 9.631 229 1HB ALA 34 1HB ALA 34 2.620 -3.209 6.750 230 2HB ALA 34 2HB ALA 34 2.728 -4.516 7.996 231 3HB ALA 34 3HB ALA 34 4.219 -3.749 7.365 232 H CYS 35 H CYS 35 1.985 -0.336 7.928 233 HA CYS 35 HA CYS 35 4.501 1.059 7.385 234 1HB CYS 35 1HB CYS 35 3.342 2.476 5.939 235 2HB CYS 35 2HB CYS 35 2.723 0.816 5.630 236 H ASP 36 H ASP 36 4.607 3.420 8.062 237 HA ASP 36 HA ASP 36 3.657 3.493 10.864 238 1HB ASP 36 1HB ASP 36 5.998 5.052 9.623 239 2HB ASP 36 2HB ASP 36 5.637 4.777 11.361 240 HD2 ASP 36 HD2 ASP 36 7.625 3.876 9.110 241 H LYS 37 H LYS 37 3.665 5.586 7.915 242 HA LYS 37 HA LYS 37 1.839 7.342 9.390 243 1HB LYS 37 1HB LYS 37 4.049 8.424 8.704 244 2HB LYS 37 2HB LYS 37 3.657 8.030 7.020 245 1HG LYS 37 1HG LYS 37 3.049 10.328 7.330 246 2HG LYS 37 2HG LYS 37 1.510 9.424 7.248 247 1HD LYS 37 1HD LYS 37 1.504 9.434 9.864 248 2HD LYS 37 2HD LYS 37 2.974 10.448 9.770 249 1HE LYS 37 1HE LYS 37 1.097 11.916 10.117 250 2HE LYS 37 2HE LYS 37 1.621 12.160 8.405 251 1HZ LYS 37 1HZ LYS 37 -0.149 10.586 7.778 252 2HZ LYS 37 2HZ LYS 37 -0.727 11.995 8.535 253 3HZ LYS 37 3HZ LYS 37 -0.667 10.534 9.395 254 H CYS 38 H CYS 38 -0.231 7.003 8.748 255 HA CYS 38 HA CYS 38 -0.805 6.743 5.894 256 1HB CYS 38 1HB CYS 38 -0.484 4.527 7.143 257 2HB CYS 38 2HB CYS 38 -1.709 5.084 8.332 258 H VAL 39 H VAL 39 -2.686 7.691 5.273 259 HA VAL 39 HA VAL 39 -4.162 9.213 7.316 260 HB VAL 39 HB VAL 39 -3.235 9.747 4.449 261 1HG1 VAL 39 1HG1 VAL 39 -5.001 11.433 6.331 262 2HG1 VAL 39 2HG1 VAL 39 -5.482 10.714 4.725 263 3HG1 VAL 39 3HG1 VAL 39 -4.240 12.014 4.792 264 1HG2 VAL 39 1HG2 VAL 39 -2.590 11.093 7.155 265 2HG2 VAL 39 2HG2 VAL 39 -2.032 11.686 5.547 266 3HG2 VAL 39 3HG2 VAL 39 -1.439 10.099 6.179 267 H CYS 40 H CYS 40 -6.451 8.931 7.074 268 HA CYS 40 HA CYS 40 -7.427 7.496 4.722 269 1HB CYS 40 1HB CYS 40 -6.637 5.964 6.510 270 2HB CYS 40 2HB CYS 40 -7.755 6.745 7.673 271 H ALA 41 H ALA 41 -9.578 7.776 4.329 272 HA ALA 41 HA ALA 41 -11.195 9.595 5.929 273 1HB ALA 41 1HB ALA 41 -9.436 11.076 4.832 274 2HB ALA 41 2HB ALA 41 -11.062 11.378 4.112 275 3HB ALA 41 3HB ALA 41 -9.847 10.335 3.246 276 H TYR 42 H TYR 42 -13.132 10.116 5.064 277 HA TYR 42 HA TYR 42 -14.390 7.827 4.073 278 1HB TYR 42 1HB TYR 42 -16.471 9.124 4.858 279 2HB TYR 42 2HB TYR 42 -15.127 9.033 6.054 280 HD1 TYR 42 HD1 TYR 42 -16.696 11.346 3.484 281 HD2 TYR 42 HD2 TYR 42 -14.043 11.022 6.866 282 HE1 TYR 42 HE1 TYR 42 -16.503 13.794 3.578 283 HE2 TYR 42 HE2 TYR 42 -13.815 13.436 6.907 284 HH TYR 42 HH TYR 42 -14.378 15.374 6.006 285 H SER 43 H SER 43 -13.018 9.792 2.294 286 HA SER 43 HA SER 43 -14.549 11.509 0.909 287 1HB SER 43 1HB SER 43 -12.059 10.068 -0.157 288 2HB SER 43 2HB SER 43 -12.617 11.757 -0.568 289 HG SER 43 HG SER 43 -11.018 11.877 0.934 290 H ASN 44 H ASN 44 -14.203 11.473 -1.709 291 HA ASN 44 HA ASN 44 -15.421 9.073 -2.831 292 1HB ASN 44 1HB ASN 44 -17.192 10.623 -1.944 293 2HB ASN 44 2HB ASN 44 -16.519 11.939 -2.919 294 1HD2 ASN 44 1HD2 ASN 44 -17.988 8.577 -3.284 295 2HD2 ASN 44 2HD2 ASN 44 -18.685 8.941 -4.810 296 HA PRO 45 HA PRO 45 -14.362 7.825 -4.075 297 1HB PRO 45 1HB PRO 45 -11.925 6.802 -4.858 298 2HB PRO 45 2HB PRO 45 -13.103 7.383 -6.046 299 1HG PRO 45 1HG PRO 45 -10.779 8.997 -4.842 300 2HG PRO 45 2HG PRO 45 -11.136 8.751 -6.596 301 1HD PRO 45 1HD PRO 45 -12.014 10.991 -5.206 302 2HD PRO 45 2HD PRO 45 -13.063 10.216 -6.483 303 HA PRO 46 HA PRO 46 -12.704 7.973 -0.003 304 1HB PRO 46 1HB PRO 46 -12.841 5.351 0.876 305 2HB PRO 46 2HB PRO 46 -14.303 6.377 0.586 306 1HG PRO 46 1HG PRO 46 -13.055 4.366 -1.362 307 2HG PRO 46 2HG PRO 46 -14.792 4.523 -0.822 308 1HD PRO 46 1HD PRO 46 -13.831 5.614 -3.182 309 2HD PRO 46 2HD PRO 46 -15.099 6.518 -2.124 310 H GLN 47 H GLN 47 -10.731 7.547 1.311 311 HA GLN 47 HA GLN 47 -8.559 6.765 -0.510 312 1HB GLN 47 1HB GLN 47 -9.597 9.496 0.056 313 2HB GLN 47 2HB GLN 47 -7.846 9.364 0.403 314 1HG GLN 47 1HG GLN 47 -9.182 8.556 -2.226 315 2HG GLN 47 2HG GLN 47 -8.395 10.148 -1.901 316 1HE2 GLN 47 1HE2 GLN 47 -7.877 7.752 -3.677 317 2HE2 GLN 47 2HE2 GLN 47 -6.136 7.545 -3.593 318 H CYS 48 H CYS 48 -7.163 5.576 0.640 319 HA CYS 48 HA CYS 48 -6.246 6.565 3.153 320 1HB CYS 48 1HB CYS 48 -7.523 3.785 2.836 321 2HB CYS 48 2HB CYS 48 -6.671 4.394 4.306 322 H GLN 49 H GLN 49 -4.138 6.366 3.027 323 HA GLN 49 HA GLN 49 -2.955 4.069 1.819 324 1HB GLN 49 1HB GLN 49 -1.568 5.268 0.186 325 2HB GLN 49 2HB GLN 49 -3.307 5.569 -0.181 326 1HG GLN 49 1HG GLN 49 -3.159 7.808 0.793 327 2HG GLN 49 2HG GLN 49 -1.463 7.484 1.353 328 1HE2 GLN 49 1HE2 GLN 49 -0.091 8.619 0.131 329 2HE2 GLN 49 2HE2 GLN 49 -0.034 8.585 -1.615 330 H CYS 50 H CYS 50 -0.746 3.879 2.170 331 HA CYS 50 HA CYS 50 0.164 5.115 4.659 332 1HB CYS 50 1HB CYS 50 1.399 2.977 2.798 333 2HB CYS 50 2HB CYS 50 2.161 3.533 4.298 334 H TYR 51 H TYR 51 0.859 7.147 4.282 335 HA TYR 51 HA TYR 51 1.893 8.117 1.853 336 1HB TYR 51 1HB TYR 51 1.392 9.216 4.624 337 2HB TYR 51 2HB TYR 51 2.744 10.007 3.771 338 HD1 TYR 51 HD1 TYR 51 -0.933 9.346 3.651 339 HD2 TYR 51 HD2 TYR 51 2.404 11.086 1.524 340 HE1 TYR 51 HE1 TYR 51 -2.459 10.482 2.158 341 HE2 TYR 51 HE2 TYR 51 0.894 12.179 0.030 342 HH TYR 51 HH TYR 51 -2.672 11.637 0.238 343 H ASP 52 H ASP 52 3.537 7.033 4.693 344 HA ASP 52 HA ASP 52 6.127 7.742 3.733 345 1HB ASP 52 1HB ASP 52 7.112 6.464 5.546 346 2HB ASP 52 2HB ASP 52 5.734 7.435 6.122 347 HD2 ASP 52 HD2 ASP 52 4.352 4.942 4.619 348 H THR 53 H THR 53 7.092 7.053 1.980 349 HA THR 53 HA THR 53 6.641 4.383 0.967 350 HB THR 53 HB THR 53 8.139 6.822 -0.125 351 HG1 THR 53 HG1 THR 53 6.355 7.110 -1.215 352 1HG2 THR 53 1HG2 THR 53 8.083 5.566 -2.318 353 2HG2 THR 53 2HG2 THR 53 7.634 4.063 -1.430 354 3HG2 THR 53 3HG2 THR 53 9.221 4.879 -1.138 355 H HIS 54 H HIS 54 8.011 2.641 1.481 356 HA HIS 54 HA HIS 54 10.655 3.318 2.400 357 1HB HIS 54 1HB HIS 54 9.242 3.851 4.406 358 2HB HIS 54 2HB HIS 54 8.744 2.137 4.496 359 HD1 HIS 54 HD1 HIS 54 9.923 2.773 6.864 360 HD2 HIS 54 HD2 HIS 54 12.543 2.285 3.620 361 HE1 HIS 54 HE1 HIS 54 12.195 2.441 7.812 362 HE2 HIS 54 HE2 HIS 54 13.782 2.153 5.840 363 H LYS 55 H LYS 55 8.513 0.404 2.975 364 HA LYS 55 HA LYS 55 10.885 -1.096 2.629 365 1HB LYS 55 1HB LYS 55 8.000 -1.976 3.193 366 2HB LYS 55 2HB LYS 55 9.505 -2.930 3.516 367 1HG LYS 55 1HG LYS 55 9.331 -2.214 5.605 368 2HG LYS 55 2HG LYS 55 9.990 -0.651 5.032 369 1HD LYS 55 1HD LYS 55 7.509 0.066 4.610 370 2HD LYS 55 2HD LYS 55 7.028 -1.464 5.401 371 1HE LYS 55 1HE LYS 55 8.663 0.813 6.726 372 2HE LYS 55 2HE LYS 55 6.904 0.468 6.974 373 1HZ LYS 55 1HZ LYS 55 8.156 -0.480 8.739 374 2HZ LYS 55 2HZ LYS 55 9.194 -1.299 7.677 375 3HZ LYS 55 3HZ LYS 55 7.564 -1.747 7.775 376 H PHE 56 H PHE 56 9.690 -3.531 1.691 377 HA PHE 56 HA PHE 56 9.912 -3.091 -1.136 378 1HB PHE 56 1HB PHE 56 9.805 -5.598 -1.305 379 2HB PHE 56 2HB PHE 56 11.088 -5.011 -0.212 380 HD1 PHE 56 HD1 PHE 56 8.028 -6.966 -0.471 381 HD2 PHE 56 HD2 PHE 56 10.741 -5.142 2.337 382 HE1 PHE 56 HE1 PHE 56 7.068 -8.312 1.339 383 HE2 PHE 56 HE2 PHE 56 9.747 -6.454 4.144 384 HZ PHE 56 HZ PHE 56 7.889 -8.040 3.673 385 H CYS 57 H CYS 57 8.286 -4.467 -2.616 386 HA CYS 57 HA CYS 57 5.613 -3.521 -2.007 387 1HB CYS 57 1HB CYS 57 6.585 -3.435 -4.320 388 2HB CYS 57 2HB CYS 57 6.563 -5.221 -4.370 389 H TYR 58 H TYR 58 4.529 -4.558 -0.569 390 HA TYR 58 HA TYR 58 5.084 -7.152 0.341 391 1HB TYR 58 1HB TYR 58 3.620 -5.043 1.371 392 2HB TYR 58 2HB TYR 58 2.277 -6.071 0.789 393 HD1 TYR 58 HD1 TYR 58 5.465 -6.098 2.797 394 HD2 TYR 58 HD2 TYR 58 1.536 -7.816 2.285 395 HE1 TYR 58 HE1 TYR 58 5.681 -7.264 4.929 396 HE2 TYR 58 HE2 TYR 58 1.774 -8.997 4.365 397 HH TYR 58 HH TYR 58 3.157 -9.520 6.117 398 H LYS 59 H LYS 59 3.424 -8.837 0.662 399 HA LYS 59 HA LYS 59 2.446 -10.057 -1.625 400 1HB LYS 59 1HB LYS 59 1.541 -10.310 1.277 401 2HB LYS 59 2HB LYS 59 0.972 -11.390 -0.035 402 1HG LYS 59 1HG LYS 59 3.961 -11.163 0.781 403 2HG LYS 59 2HG LYS 59 2.769 -12.292 1.475 404 1HD LYS 59 1HD LYS 59 3.749 -13.630 -0.079 405 2HD LYS 59 2HD LYS 59 2.312 -13.075 -0.988 406 1HE LYS 59 1HE LYS 59 3.822 -11.412 -2.232 407 2HE LYS 59 2HE LYS 59 5.218 -12.004 -1.255 408 1HZ LYS 59 1HZ LYS 59 4.801 -14.207 -2.173 409 2HZ LYS 59 2HZ LYS 59 5.139 -13.051 -3.371 410 3HZ LYS 59 3HZ LYS 59 3.541 -13.583 -3.129 411 H ALA 60 H ALA 60 0.471 -10.419 -2.535 412 HA ALA 60 HA ALA 60 -1.322 -8.112 -2.345 413 1HB ALA 60 1HB ALA 60 -0.166 -8.460 -4.474 414 2HB ALA 60 2HB ALA 60 -1.924 -8.850 -4.683 415 3HB ALA 60 3HB ALA 60 -0.700 -10.177 -4.504 416 H CYS 61 H CYS 61 -3.100 -8.384 -1.233 417 HA CYS 61 HA CYS 61 -4.396 -10.911 -0.944 418 1HB CYS 61 1HB CYS 61 -6.005 -9.757 0.403 419 2HB CYS 61 2HB CYS 61 -4.363 -9.193 0.839 420 H HIS 62 H HIS 62 -7.001 -10.405 -1.197 421 HA HIS 62 HA HIS 62 -7.490 -9.205 -3.841 422 1HB HIS 62 1HB HIS 62 -9.026 -11.616 -2.678 423 2HB HIS 62 2HB HIS 62 -9.097 -10.998 -4.365 424 HD1 HIS 62 HD1 HIS 62 -6.736 -11.363 -5.712 425 HD2 HIS 62 HD2 HIS 62 -7.034 -13.407 -2.069 426 HE1 HIS 62 HE1 HIS 62 -4.911 -13.078 -5.694 427 HE2 HIS 62 HE2 HIS 62 -5.082 -14.293 -3.465 428 H ASN 63 H ASN 63 -9.951 -8.400 -3.808 429 HA ASN 63 HA ASN 63 -11.428 -8.424 -1.548 430 1HB ASN 63 1HB ASN 63 -11.364 -5.978 -0.884 431 2HB ASN 63 2HB ASN 63 -9.984 -6.939 -0.317 432 1HD2 ASN 63 1HD2 ASN 63 -7.837 -6.597 -1.568 433 2HD2 ASN 63 2HD2 ASN 63 -7.699 -5.260 -2.646 434 H SER 64 H SER 64 -10.530 -5.993 -3.949 435 HA SER 64 HA SER 64 -13.265 -6.000 -5.033 436 1HB SER 64 1HB SER 64 -11.902 -3.877 -4.642 437 2HB SER 64 2HB SER 64 -10.832 -4.373 -5.990 438 HG SER 64 HG SER 64 -12.393 -3.925 -7.385 439 H GLU 65 H GLU 65 -10.031 -6.926 -5.887 440 HA GLU 65 HA GLU 65 -10.316 -8.111 -8.348 441 1HB GLU 65 1HB GLU 65 -8.240 -7.564 -7.015 442 2HB GLU 65 2HB GLU 65 -8.510 -9.067 -6.077 443 1HG GLU 65 1HG GLU 65 -7.927 -10.394 -8.130 444 2HG GLU 65 2HG GLU 65 -7.976 -8.898 -9.135 445 HE2 GLU 65 HE2 GLU 65 -5.130 -8.883 -6.263 446 H ILE 66 H ILE 66 -12.650 -8.939 -7.086 447 HA ILE 66 HA ILE 66 -12.714 -11.715 -7.838 448 HB ILE 66 HB ILE 66 -14.004 -12.477 -5.834 449 1HG1 ILE 66 1HG1 ILE 66 -12.824 -10.008 -4.412 450 2HG1 ILE 66 2HG1 ILE 66 -14.535 -10.153 -4.927 451 1HG2 ILE 66 1HG2 ILE 66 -12.062 -13.110 -4.503 452 2HG2 ILE 66 2HG2 ILE 66 -11.108 -11.724 -5.146 453 3HG2 ILE 66 3HG2 ILE 66 -11.580 -13.077 -6.238 454 1HD1 ILE 66 1HD1 ILE 66 -14.788 -12.208 -3.471 455 2HD1 ILE 66 2HD1 ILE 66 -14.382 -10.716 -2.553 456 3HD1 ILE 66 3HD1 ILE 66 -13.108 -11.951 -2.861 457 H GLU 67 H GLU 67 -15.139 -12.529 -7.895 458 HA GLU 67 HA GLU 67 -17.128 -10.734 -7.359 459 1HB GLU 67 1HB GLU 67 -18.098 -10.474 -9.594 460 2HB GLU 67 2HB GLU 67 -16.466 -9.740 -9.569 461 1HG GLU 67 1HG GLU 67 -16.455 -10.848 -11.637 462 2HG GLU 67 2HG GLU 67 -15.624 -12.050 -10.583 463 HE2 GLU 67 HE2 GLU 67 -17.956 -14.417 -11.332 Start of MODEL 11 1 1H GLY 1 1H GLY 1 -3.865 -20.344 13.640 2 2H GLY 1 2H GLY 1 -3.257 -19.409 14.924 3 3H GLY 1 3H GLY 1 -2.491 -20.858 14.502 4 1HA GLY 1 1HA GLY 1 -1.282 -18.923 13.762 5 2HA GLY 1 2HA GLY 1 -1.858 -19.976 12.401 6 H ASP 2 H ASP 2 -2.374 -16.966 14.178 7 HA ASP 2 HA ASP 2 -3.369 -15.663 11.826 8 1HB ASP 2 1HB ASP 2 -5.481 -16.856 12.694 9 2HB ASP 2 2HB ASP 2 -5.297 -15.964 14.242 10 HD2 ASP 2 HD2 ASP 2 -6.757 -13.140 12.993 11 H ASP 3 H ASP 3 -1.134 -15.085 12.821 12 HA ASP 3 HA ASP 3 -1.470 -12.531 14.143 13 1HB ASP 3 1HB ASP 3 0.239 -13.154 15.950 14 2HB ASP 3 2HB ASP 3 -1.411 -13.827 16.138 15 HD2 ASP 3 HD2 ASP 3 1.691 -14.587 14.927 16 H VAL 4 H VAL 4 -0.937 -12.594 11.747 17 HA VAL 4 HA VAL 4 1.927 -12.071 11.515 18 HB VAL 4 HB VAL 4 1.188 -13.983 10.154 19 1HG1 VAL 4 1HG1 VAL 4 -0.076 -13.550 8.033 20 2HG1 VAL 4 2HG1 VAL 4 -0.438 -11.875 8.548 21 3HG1 VAL 4 3HG1 VAL 4 -1.112 -13.271 9.469 22 1HG2 VAL 4 1HG2 VAL 4 2.420 -13.221 8.124 23 2HG2 VAL 4 2HG2 VAL 4 3.195 -12.588 9.617 24 3HG2 VAL 4 3HG2 VAL 4 2.197 -11.505 8.585 25 H LYS 5 H LYS 5 2.480 -10.014 10.879 26 HA LYS 5 HA LYS 5 0.281 -8.126 10.483 27 1HB LYS 5 1HB LYS 5 3.232 -7.719 11.218 28 2HB LYS 5 2HB LYS 5 2.010 -6.420 11.072 29 1HG LYS 5 1HG LYS 5 0.705 -7.598 12.981 30 2HG LYS 5 2HG LYS 5 2.135 -8.660 13.180 31 1HD LYS 5 1HD LYS 5 3.558 -6.493 13.345 32 2HD LYS 5 2HD LYS 5 2.012 -5.590 13.460 33 1HE LYS 5 1HE LYS 5 1.442 -6.934 15.560 34 2HE LYS 5 2HE LYS 5 3.052 -7.760 15.412 35 1HZ LYS 5 1HZ LYS 5 3.323 -5.983 16.865 36 2HZ LYS 5 2HZ LYS 5 2.490 -4.888 15.869 37 3HZ LYS 5 3HZ LYS 5 4.014 -5.467 15.401 38 H SER 6 H SER 6 0.662 -9.738 8.484 39 HA SER 6 HA SER 6 2.488 -8.945 6.471 40 1HB SER 6 1HB SER 6 0.924 -10.014 4.826 41 2HB SER 6 2HB SER 6 1.415 -11.068 6.204 42 HG SER 6 HG SER 6 -0.904 -11.005 5.620 43 H ALA 7 H ALA 7 2.570 -7.276 5.018 44 HA ALA 7 HA ALA 7 0.355 -5.391 4.949 45 1HB ALA 7 1HB ALA 7 1.872 -4.131 3.356 46 2HB ALA 7 2HB ALA 7 3.076 -5.473 3.512 47 3HB ALA 7 3HB ALA 7 2.642 -4.477 4.940 48 H CYS 8 H CYS 8 -0.715 -4.831 2.897 49 HA CYS 8 HA CYS 8 -0.402 -6.889 0.761 50 1HB CYS 8 1HB CYS 8 -2.733 -6.785 0.223 51 2HB CYS 8 2HB CYS 8 -2.576 -7.173 1.964 52 H CYS 9 H CYS 9 -0.882 -6.105 -1.474 53 HA CYS 9 HA CYS 9 -1.362 -3.320 -1.850 54 1HB CYS 9 1HB CYS 9 1.135 -3.291 -1.268 55 2HB CYS 9 2HB CYS 9 1.396 -4.475 -2.583 56 H ASP 10 H ASP 10 -2.566 -3.296 -3.825 57 HA ASP 10 HA ASP 10 -2.159 -5.448 -5.708 58 1HB ASP 10 1HB ASP 10 -3.994 -3.104 -5.422 59 2HB ASP 10 2HB ASP 10 -3.687 -3.570 -7.062 60 HD2 ASP 10 HD2 ASP 10 -5.083 -4.814 -7.772 61 H THR 11 H THR 11 -0.868 -2.187 -5.493 62 HA THR 11 HA THR 11 0.548 -2.481 -8.058 63 HB THR 11 HB THR 11 -1.333 -0.098 -7.548 64 HG1 THR 11 HG1 THR 11 -2.790 -1.489 -8.026 65 1HG2 THR 11 1HG2 THR 11 0.108 -1.135 -10.101 66 2HG2 THR 11 2HG2 THR 11 0.576 0.334 -9.154 67 3HG2 THR 11 3HG2 THR 11 -0.989 0.290 -10.003 68 H CYS 12 H CYS 12 2.469 -1.421 -8.041 69 HA CYS 12 HA CYS 12 2.981 0.692 -6.127 70 1HB CYS 12 1HB CYS 12 4.544 -0.669 -4.888 71 2HB CYS 12 2HB CYS 12 3.007 -1.622 -5.027 72 H LEU 13 H LEU 13 5.235 1.265 -6.039 73 HA LEU 13 HA LEU 13 6.620 1.051 -8.595 74 1HB LEU 13 1HB LEU 13 4.862 2.744 -8.848 75 2HB LEU 13 2HB LEU 13 5.462 3.642 -7.427 76 HG LEU 13 HG LEU 13 7.322 3.023 -9.804 77 1HD1 LEU 13 1HD1 LEU 13 5.210 3.861 -10.816 78 2HD1 LEU 13 2HD1 LEU 13 6.541 5.055 -10.986 79 3HD1 LEU 13 3HD1 LEU 13 5.249 5.310 -9.756 80 1HD2 LEU 13 1HD2 LEU 13 7.084 5.499 -7.960 81 2HD2 LEU 13 2HD2 LEU 13 8.302 5.263 -9.265 82 3HD2 LEU 13 3HD2 LEU 13 8.330 4.209 -7.812 83 H CYS 14 H CYS 14 8.637 0.926 -8.253 84 HA CYS 14 HA CYS 14 9.738 1.505 -5.642 85 1HB CYS 14 1HB CYS 14 10.901 -0.113 -7.914 86 2HB CYS 14 2HB CYS 14 11.690 0.148 -6.353 87 H THR 15 H THR 15 11.694 2.508 -5.194 88 HA THR 15 HA THR 15 12.281 4.746 -6.921 89 HB THR 15 HB THR 15 14.132 5.213 -5.380 90 HG1 THR 15 HG1 THR 15 13.886 3.896 -3.327 91 1HG2 THR 15 1HG2 THR 15 11.433 4.584 -3.969 92 2HG2 THR 15 2HG2 THR 15 11.779 6.033 -4.988 93 3HG2 THR 15 3HG2 THR 15 12.668 5.790 -3.437 94 H ARG 16 H ARG 16 14.140 5.070 -8.142 95 HA ARG 16 HA ARG 16 15.973 2.816 -8.483 96 1HB ARG 16 1HB ARG 16 15.988 5.618 -9.695 97 2HB ARG 16 2HB ARG 16 17.282 4.384 -9.934 98 1HG ARG 16 1HG ARG 16 15.662 2.796 -10.889 99 2HG ARG 16 2HG ARG 16 14.333 3.981 -10.658 100 1HD ARG 16 1HD ARG 16 15.555 5.578 -12.269 101 2HD ARG 16 2HD ARG 16 16.787 4.278 -12.534 102 HE ARG 16 HE ARG 16 15.204 3.021 -13.750 103 1HH1 ARG 16 1HH1 ARG 16 13.544 5.744 -12.122 104 2HH1 ARG 16 2HH1 ARG 16 12.000 5.377 -12.815 105 1HH2 ARG 16 1HH2 ARG 16 13.128 2.548 -14.633 106 2HH2 ARG 16 2HH2 ARG 16 11.755 3.533 -14.245 107 H SER 17 H SER 17 17.587 2.565 -6.971 108 HA SER 17 HA SER 17 18.926 4.686 -5.695 109 1HB SER 17 1HB SER 17 16.522 4.779 -4.603 110 2HB SER 17 2HB SER 17 16.971 3.229 -3.835 111 HG SER 17 HG SER 17 17.395 5.118 -2.580 112 H GLN 18 H GLN 18 19.931 3.669 -3.585 113 HA GLN 18 HA GLN 18 20.604 0.849 -3.913 114 1HB GLN 18 1HB GLN 18 21.931 2.195 -5.588 115 2HB GLN 18 2HB GLN 18 22.625 3.121 -4.239 116 1HG GLN 18 1HG GLN 18 23.553 0.887 -3.311 117 2HG GLN 18 2HG GLN 18 22.968 0.081 -4.806 118 1HE2 GLN 18 1HE2 GLN 18 25.701 1.252 -3.443 119 2HE2 GLN 18 2HE2 GLN 18 26.560 1.815 -4.861 120 HA PRO 19 HA PRO 19 20.026 -0.495 -2.374 121 1HB PRO 19 1HB PRO 19 18.649 -1.126 -0.052 122 2HB PRO 19 2HB PRO 19 20.458 -1.323 -0.189 123 1HG PRO 19 1HG PRO 19 18.922 1.075 0.980 124 2HG PRO 19 2HG PRO 19 20.223 0.088 1.768 125 1HD PRO 19 1HD PRO 19 20.742 2.440 0.409 126 2HD PRO 19 2HD PRO 19 21.920 1.048 0.341 127 HA PRO 20 HA PRO 20 16.252 1.229 -3.703 128 1HB PRO 20 1HB PRO 20 14.572 -0.920 -4.107 129 2HB PRO 20 2HB PRO 20 16.151 -0.795 -4.969 130 1HG PRO 20 1HG PRO 20 15.602 -2.299 -2.341 131 2HG PRO 20 2HG PRO 20 16.297 -2.975 -3.876 132 1HD PRO 20 1HD PRO 20 17.903 -2.082 -1.837 133 2HD PRO 20 2HD PRO 20 18.352 -1.736 -3.580 134 H THR 21 H THR 21 13.789 1.389 -3.425 135 HA THR 21 HA THR 21 12.710 0.671 -0.819 136 HB THR 21 HB THR 21 12.039 3.493 -1.412 137 HG1 THR 21 HG1 THR 21 14.752 2.982 -0.882 138 1HG2 THR 21 1HG2 THR 21 12.805 3.798 0.966 139 2HG2 THR 21 2HG2 THR 21 13.560 2.162 0.949 140 3HG2 THR 21 3HG2 THR 21 11.771 2.336 0.842 141 H CYS 22 H CYS 22 10.298 0.774 -0.917 142 HA CYS 22 HA CYS 22 9.280 1.538 -3.558 143 1HB CYS 22 1HB CYS 22 10.187 -1.005 -3.334 144 2HB CYS 22 2HB CYS 22 8.641 -1.252 -2.504 145 H ARG 23 H ARG 23 6.905 1.143 -3.684 146 HA ARG 23 HA ARG 23 5.539 1.880 -1.197 147 1HB ARG 23 1HB ARG 23 7.173 3.727 -1.875 148 2HB ARG 23 2HB ARG 23 6.303 3.879 -3.419 149 1HG ARG 23 1HG ARG 23 4.932 4.373 -0.685 150 2HG ARG 23 2HG ARG 23 5.972 5.558 -1.507 151 1HD ARG 23 1HD ARG 23 4.470 5.402 -3.576 152 2HD ARG 23 2HD ARG 23 3.277 4.497 -2.529 153 HE ARG 23 HE ARG 23 4.499 7.024 -1.501 154 1HH1 ARG 23 1HH1 ARG 23 1.472 5.624 -2.898 155 2HH1 ARG 23 2HH1 ARG 23 0.508 6.880 -2.225 156 1HH2 ARG 23 1HH2 ARG 23 3.326 8.533 -0.761 157 2HH2 ARG 23 2HH2 ARG 23 1.592 8.680 -0.961 158 H CYS 24 H CYS 24 3.439 1.869 -1.374 159 HA CYS 24 HA CYS 24 2.378 0.547 -3.754 160 1HB CYS 24 1HB CYS 24 2.068 -0.414 -1.349 161 2HB CYS 24 2HB CYS 24 0.957 0.963 -1.049 162 H VAL 25 H VAL 25 1.607 1.887 -5.279 163 HA VAL 25 HA VAL 25 0.724 4.506 -4.753 164 HB VAL 25 HB VAL 25 0.406 4.748 -7.092 165 1HG1 VAL 25 1HG1 VAL 25 2.771 4.347 -7.777 166 2HG1 VAL 25 2HG1 VAL 25 2.998 3.133 -6.476 167 3HG1 VAL 25 3HG1 VAL 25 2.725 4.861 -6.049 168 1HG2 VAL 25 1HG2 VAL 25 0.820 2.890 -8.680 169 2HG2 VAL 25 2HG2 VAL 25 -0.549 2.440 -7.624 170 3HG2 VAL 25 3HG2 VAL 25 1.098 1.744 -7.345 171 H ASP 26 H ASP 26 -0.640 1.416 -4.823 172 HA ASP 26 HA ASP 26 -3.294 2.185 -5.484 173 1HB ASP 26 1HB ASP 26 -1.971 -0.303 -5.277 174 2HB ASP 26 2HB ASP 26 -3.093 -0.334 -3.876 175 HD2 ASP 26 HD2 ASP 26 -5.889 -0.159 -6.044 176 H VAL 27 H VAL 27 -5.173 1.845 -4.105 177 HA VAL 27 HA VAL 27 -4.756 3.318 -1.585 178 HB VAL 27 HB VAL 27 -5.618 4.205 -3.993 179 1HG1 VAL 27 1HG1 VAL 27 -8.223 3.461 -2.524 180 2HG1 VAL 27 2HG1 VAL 27 -7.593 2.660 -4.027 181 3HG1 VAL 27 3HG1 VAL 27 -8.053 4.409 -4.043 182 1HG2 VAL 27 1HG2 VAL 27 -6.754 6.062 -2.741 183 2HG2 VAL 27 2HG2 VAL 27 -5.110 5.637 -2.145 184 3HG2 VAL 27 3HG2 VAL 27 -6.568 5.102 -1.212 185 H ARG 28 H ARG 28 -5.847 2.644 0.205 186 HA ARG 28 HA ARG 28 -7.783 0.409 -0.187 187 1HB ARG 28 1HB ARG 28 -5.702 0.909 1.988 188 2HB ARG 28 2HB ARG 28 -6.943 -0.394 2.085 189 1HG ARG 28 1HG ARG 28 -5.944 -1.651 0.320 190 2HG ARG 28 2HG ARG 28 -4.989 -0.268 -0.297 191 1HD ARG 28 1HD ARG 28 -4.520 -1.584 2.435 192 2HD ARG 28 2HD ARG 28 -3.612 -1.959 0.890 193 HE ARG 28 HE ARG 28 -3.625 0.882 1.330 194 1HH1 ARG 28 1HH1 ARG 28 -2.161 -2.105 2.583 195 2HH1 ARG 28 2HH1 ARG 28 -0.719 -1.332 3.175 196 1HH2 ARG 28 1HH2 ARG 28 -1.710 1.925 2.146 197 2HH2 ARG 28 2HH2 ARG 28 -0.477 0.992 2.944 198 H GLU 29 H GLU 29 -9.467 0.274 1.368 199 HA GLU 29 HA GLU 29 -10.232 2.486 2.952 200 1HB GLU 29 1HB GLU 29 -10.915 -0.487 2.938 201 2HB GLU 29 2HB GLU 29 -11.593 0.691 4.135 202 1HG GLU 29 1HG GLU 29 -12.425 2.066 2.115 203 2HG GLU 29 2HG GLU 29 -11.934 0.713 1.053 204 HE2 GLU 29 HE2 GLU 29 -12.894 -1.209 1.363 205 H SER 30 H SER 30 -8.827 -0.614 3.861 206 HA SER 30 HA SER 30 -8.126 0.262 6.477 207 1HB SER 30 1HB SER 30 -7.559 -2.500 5.257 208 2HB SER 30 2HB SER 30 -7.484 -2.022 6.993 209 HG SER 30 HG SER 30 -9.469 -2.944 6.657 210 H CYS 31 H CYS 31 -6.325 0.892 7.301 211 HA CYS 31 HA CYS 31 -3.845 0.390 5.775 212 1HB CYS 31 1HB CYS 31 -4.723 2.788 6.077 213 2HB CYS 31 2HB CYS 31 -4.260 2.618 7.829 214 H HIS 32 H HIS 32 -1.881 0.402 7.333 215 HA HIS 32 HA HIS 32 -2.495 -1.818 9.196 216 1HB HIS 32 1HB HIS 32 -1.509 -2.276 6.935 217 2HB HIS 32 2HB HIS 32 0.023 -1.463 7.470 218 HD1 HIS 32 HD1 HIS 32 -2.396 -4.144 8.598 219 HD2 HIS 32 HD2 HIS 32 1.749 -3.660 8.160 220 HE1 HIS 32 HE1 HIS 32 -1.340 -6.274 9.309 221 HE2 HIS 32 HE2 HIS 32 1.189 -5.962 9.003 222 H SER 33 H SER 33 -1.025 -2.222 10.895 223 HA SER 33 HA SER 33 -0.126 -0.184 12.409 224 1HB SER 33 1HB SER 33 1.058 -3.033 12.325 225 2HB SER 33 2HB SER 33 1.120 -1.937 13.747 226 HG SER 33 HG SER 33 -1.152 -2.040 13.849 227 H ALA 34 H ALA 34 1.575 -1.623 9.794 228 HA ALA 34 HA ALA 34 4.163 -0.770 10.290 229 1HB ALA 34 1HB ALA 34 3.494 -2.536 8.633 230 2HB ALA 34 2HB ALA 34 4.500 -1.280 7.862 231 3HB ALA 34 3HB ALA 34 2.723 -1.278 7.593 232 H CYS 35 H CYS 35 1.397 1.043 9.169 233 HA CYS 35 HA CYS 35 3.171 3.237 8.262 234 1HB CYS 35 1HB CYS 35 1.548 2.354 6.582 235 2HB CYS 35 2HB CYS 35 0.203 2.867 7.697 236 H ASP 36 H ASP 36 3.501 4.707 9.779 237 HA ASP 36 HA ASP 36 1.706 5.263 11.922 238 1HB ASP 36 1HB ASP 36 3.368 6.950 12.569 239 2HB ASP 36 2HB ASP 36 4.200 5.437 12.090 240 HD2 ASP 36 HD2 ASP 36 5.208 5.424 9.999 241 H LYS 37 H LYS 37 2.589 7.034 8.959 242 HA LYS 37 HA LYS 37 0.572 9.075 9.507 243 1HB LYS 37 1HB LYS 37 3.108 9.452 9.103 244 2HB LYS 37 2HB LYS 37 2.806 9.059 7.401 245 1HG LYS 37 1HG LYS 37 1.216 11.013 7.254 246 2HG LYS 37 2HG LYS 37 1.440 11.301 9.011 247 1HD LYS 37 1HD LYS 37 3.956 11.554 8.607 248 2HD LYS 37 2HD LYS 37 3.655 11.431 6.845 249 1HE LYS 37 1HE LYS 37 2.253 13.558 6.971 250 2HE LYS 37 2HE LYS 37 2.636 13.655 8.742 251 1HZ LYS 37 1HZ LYS 37 4.544 13.745 6.470 252 2HZ LYS 37 2HZ LYS 37 4.999 13.618 8.099 253 3HZ LYS 37 3HZ LYS 37 4.154 14.990 7.560 254 H CYS 38 H CYS 38 -0.923 7.045 8.881 255 HA CYS 38 HA CYS 38 -1.261 6.922 6.001 256 1HB CYS 38 1HB CYS 38 -1.486 5.071 7.913 257 2HB CYS 38 2HB CYS 38 -3.205 5.608 7.903 258 H VAL 39 H VAL 39 -2.201 8.478 4.920 259 HA VAL 39 HA VAL 39 -3.967 10.263 6.303 260 HB VAL 39 HB VAL 39 -1.787 10.818 5.289 261 1HG1 VAL 39 1HG1 VAL 39 -1.632 11.298 2.917 262 2HG1 VAL 39 2HG1 VAL 39 -3.239 10.566 2.599 263 3HG1 VAL 39 3HG1 VAL 39 -1.867 9.524 3.175 264 1HG2 VAL 39 1HG2 VAL 39 -2.546 12.928 4.380 265 2HG2 VAL 39 2HG2 VAL 39 -3.514 12.500 5.853 266 3HG2 VAL 39 3HG2 VAL 39 -4.239 12.313 4.187 267 H CYS 40 H CYS 40 -6.089 9.536 6.329 268 HA CYS 40 HA CYS 40 -7.191 8.241 3.983 269 1HB CYS 40 1HB CYS 40 -8.392 8.649 6.701 270 2HB CYS 40 2HB CYS 40 -9.094 7.734 5.369 271 H ALA 41 H ALA 41 -8.256 9.205 2.504 272 HA ALA 41 HA ALA 41 -9.712 11.690 2.875 273 1HB ALA 41 1HB ALA 41 -8.655 11.319 0.689 274 2HB ALA 41 2HB ALA 41 -10.446 11.487 0.591 275 3HB ALA 41 3HB ALA 41 -9.674 9.851 0.457 276 H TYR 42 H TYR 42 -11.932 11.887 2.920 277 HA TYR 42 HA TYR 42 -13.186 9.817 4.388 278 1HB TYR 42 1HB TYR 42 -14.931 11.521 4.805 279 2HB TYR 42 2HB TYR 42 -13.268 12.175 5.024 280 HD1 TYR 42 HD1 TYR 42 -12.525 14.071 3.684 281 HD2 TYR 42 HD2 TYR 42 -16.165 12.030 2.601 282 HE1 TYR 42 HE1 TYR 42 -13.112 15.891 2.178 283 HE2 TYR 42 HE2 TYR 42 -16.704 13.820 1.035 284 HH TYR 42 HH TYR 42 -14.723 16.783 0.799 285 H SER 43 H SER 43 -12.891 9.885 1.298 286 HA SER 43 HA SER 43 -15.196 10.251 -0.018 287 1HB SER 43 1HB SER 43 -13.010 8.327 -0.915 288 2HB SER 43 2HB SER 43 -14.066 9.410 -1.957 289 HG SER 43 HG SER 43 -12.007 10.288 -1.688 290 H ASN 44 H ASN 44 -15.321 7.965 -1.873 291 HA ASN 44 HA ASN 44 -17.018 6.156 -0.348 292 1HB ASN 44 1HB ASN 44 -18.135 8.332 -1.026 293 2HB ASN 44 2HB ASN 44 -17.839 7.942 -2.734 294 1HD2 ASN 44 1HD2 ASN 44 -18.803 5.550 -3.324 295 2HD2 ASN 44 2HD2 ASN 44 -20.342 5.218 -2.633 296 HA PRO 45 HA PRO 45 -16.424 4.252 0.018 297 1HB PRO 45 1HB PRO 45 -14.717 2.097 -0.048 298 2HB PRO 45 2HB PRO 45 -16.310 2.006 -0.791 299 1HG PRO 45 1HG PRO 45 -13.662 2.663 -2.205 300 2HG PRO 45 2HG PRO 45 -14.880 1.432 -2.693 301 1HD PRO 45 1HD PRO 45 -14.808 4.017 -3.757 302 2HD PRO 45 2HD PRO 45 -16.376 3.129 -3.530 303 HA PRO 46 HA PRO 46 -13.202 6.711 1.378 304 1HB PRO 46 1HB PRO 46 -12.251 5.665 3.792 305 2HB PRO 46 2HB PRO 46 -13.872 6.442 3.587 306 1HG PRO 46 1HG PRO 46 -13.220 3.458 3.486 307 2HG PRO 46 2HG PRO 46 -14.521 4.313 4.413 308 1HD PRO 46 1HD PRO 46 -15.046 3.106 2.001 309 2HD PRO 46 2HD PRO 46 -15.787 4.785 2.412 310 H GLN 47 H GLN 47 -10.828 7.122 1.683 311 HA GLN 47 HA GLN 47 -9.363 4.990 0.238 312 1HB GLN 47 1HB GLN 47 -9.361 7.989 -0.419 313 2HB GLN 47 2HB GLN 47 -8.487 6.699 -1.314 314 1HG GLN 47 1HG GLN 47 -11.567 6.743 -1.170 315 2HG GLN 47 2HG GLN 47 -10.662 7.811 -2.285 316 1HE2 GLN 47 1HE2 GLN 47 -11.257 4.405 -1.468 317 2HE2 GLN 47 2HE2 GLN 47 -10.878 3.815 -3.086 318 H CYS 48 H CYS 48 -7.268 4.822 0.962 319 HA CYS 48 HA CYS 48 -6.174 7.006 2.555 320 1HB CYS 48 1HB CYS 48 -7.736 5.294 3.865 321 2HB CYS 48 2HB CYS 48 -6.392 4.163 3.660 322 H GLN 49 H GLN 49 -4.118 7.158 2.535 323 HA GLN 49 HA GLN 49 -2.549 5.131 1.105 324 1HB GLN 49 1HB GLN 49 -2.799 8.158 0.750 325 2HB GLN 49 2HB GLN 49 -1.281 7.292 0.236 326 1HG GLN 49 1HG GLN 49 -2.739 5.795 -1.229 327 2HG GLN 49 2HG GLN 49 -4.134 6.852 -0.765 328 1HE2 GLN 49 1HE2 GLN 49 -4.603 8.102 -2.465 329 2HE2 GLN 49 2HE2 GLN 49 -3.456 8.916 -3.499 330 H CYS 50 H CYS 50 -0.475 4.887 1.770 331 HA CYS 50 HA CYS 50 0.184 6.114 4.386 332 1HB CYS 50 1HB CYS 50 0.616 3.596 3.951 333 2HB CYS 50 2HB CYS 50 1.851 4.120 2.766 334 H TYR 51 H TYR 51 1.223 7.897 4.505 335 HA TYR 51 HA TYR 51 1.952 9.489 2.428 336 1HB TYR 51 1HB TYR 51 1.515 9.874 4.993 337 2HB TYR 51 2HB TYR 51 3.253 9.640 5.215 338 HD1 TYR 51 HD1 TYR 51 0.569 11.901 4.280 339 HD2 TYR 51 HD2 TYR 51 4.826 11.199 3.817 340 HE1 TYR 51 HE1 TYR 51 0.889 14.192 3.674 341 HE2 TYR 51 HE2 TYR 51 5.147 13.488 3.223 342 HH TYR 51 HH TYR 51 4.242 15.500 2.944 343 H ASP 52 H ASP 52 4.030 7.443 4.344 344 HA ASP 52 HA ASP 52 6.412 8.065 2.767 345 1HB ASP 52 1HB ASP 52 7.654 7.049 4.654 346 2HB ASP 52 2HB ASP 52 6.540 8.359 5.162 347 HD2 ASP 52 HD2 ASP 52 5.270 6.497 7.560 348 H THR 53 H THR 53 8.035 6.306 2.470 349 HA THR 53 HA THR 53 7.051 4.348 0.742 350 HB THR 53 HB THR 53 9.431 3.287 0.999 351 HG1 THR 53 HG1 THR 53 9.904 4.353 3.001 352 1HG2 THR 53 1HG2 THR 53 9.031 6.224 0.101 353 2HG2 THR 53 2HG2 THR 53 8.744 4.763 -0.904 354 3HG2 THR 53 3HG2 THR 53 10.406 5.159 -0.348 355 H HIS 54 H HIS 54 7.377 1.971 0.852 356 HA HIS 54 HA HIS 54 6.302 1.114 3.493 357 1HB HIS 54 1HB HIS 54 5.755 -0.090 0.733 358 2HB HIS 54 2HB HIS 54 5.366 -0.907 2.308 359 HD1 HIS 54 HD1 HIS 54 4.787 2.631 0.984 360 HD2 HIS 54 HD2 HIS 54 2.617 -0.659 2.428 361 HE1 HIS 54 HE1 HIS 54 2.371 3.220 0.795 362 HE2 HIS 54 HE2 HIS 54 1.062 1.220 1.686 363 H LYS 55 H LYS 55 7.701 -1.166 1.123 364 HA LYS 55 HA LYS 55 10.260 -1.092 2.206 365 1HB LYS 55 1HB LYS 55 10.092 -3.535 3.043 366 2HB LYS 55 2HB LYS 55 9.404 -2.258 4.073 367 1HG LYS 55 1HG LYS 55 7.080 -2.779 3.069 368 2HG LYS 55 2HG LYS 55 7.800 -4.294 2.433 369 1HD LYS 55 1HD LYS 55 7.743 -3.376 5.389 370 2HD LYS 55 2HD LYS 55 6.622 -4.536 4.611 371 1HE LYS 55 1HE LYS 55 8.550 -6.090 4.137 372 2HE LYS 55 2HE LYS 55 9.649 -4.973 5.047 373 1HZ LYS 55 1HZ LYS 55 7.206 -6.305 6.103 374 2HZ LYS 55 2HZ LYS 55 8.205 -5.247 6.966 375 3HZ LYS 55 3HZ LYS 55 8.814 -6.743 6.438 376 H PHE 56 H PHE 56 8.826 -4.024 1.100 377 HA PHE 56 HA PHE 56 9.312 -3.377 -1.733 378 1HB PHE 56 1HB PHE 56 9.451 -5.948 -1.987 379 2HB PHE 56 2HB PHE 56 10.819 -5.131 -1.180 380 HD1 PHE 56 HD1 PHE 56 7.777 -7.203 -0.631 381 HD2 PHE 56 HD2 PHE 56 11.337 -5.560 1.152 382 HE1 PHE 56 HE1 PHE 56 7.525 -8.709 1.298 383 HE2 PHE 56 HE2 PHE 56 11.074 -7.070 3.067 384 HZ PHE 56 HZ PHE 56 9.171 -8.663 3.148 385 H CYS 57 H CYS 57 7.671 -5.107 -3.053 386 HA CYS 57 HA CYS 57 5.040 -4.192 -2.177 387 1HB CYS 57 1HB CYS 57 5.888 -5.611 -4.730 388 2HB CYS 57 2HB CYS 57 4.282 -4.883 -4.396 389 H TYR 58 H TYR 58 3.377 -5.442 -1.640 390 HA TYR 58 HA TYR 58 3.940 -8.288 -1.043 391 1HB TYR 58 1HB TYR 58 2.229 -6.125 0.258 392 2HB TYR 58 2HB TYR 58 1.688 -7.806 0.390 393 HD1 TYR 58 HD1 TYR 58 4.704 -5.632 0.959 394 HD2 TYR 58 HD2 TYR 58 2.699 -9.311 1.985 395 HE1 TYR 58 HE1 TYR 58 6.327 -6.052 2.728 396 HE2 TYR 58 HE2 TYR 58 4.279 -9.693 3.750 397 HH TYR 58 HH TYR 58 5.979 -8.722 5.034 398 H LYS 59 H LYS 59 2.047 -9.617 -0.993 399 HA LYS 59 HA LYS 59 0.757 -10.087 -3.350 400 1HB LYS 59 1HB LYS 59 0.029 -10.718 -0.459 401 2HB LYS 59 2HB LYS 59 -0.839 -11.439 -1.855 402 1HG LYS 59 1HG LYS 59 1.083 -12.636 -2.617 403 2HG LYS 59 2HG LYS 59 2.218 -11.786 -1.546 404 1HD LYS 59 1HD LYS 59 -0.083 -13.540 -0.481 405 2HD LYS 59 2HD LYS 59 1.571 -14.139 -0.836 406 1HE LYS 59 1HE LYS 59 2.555 -12.511 0.794 407 2HE LYS 59 2HE LYS 59 0.893 -11.948 1.240 408 1HZ LYS 59 1HZ LYS 59 1.929 -14.721 1.487 409 2HZ LYS 59 2HZ LYS 59 0.378 -14.188 1.929 410 3HZ LYS 59 3HZ LYS 59 1.751 -13.594 2.744 411 H ALA 60 H ALA 60 -1.483 -10.043 -3.921 412 HA ALA 60 HA ALA 60 -2.525 -7.433 -3.741 413 1HB ALA 60 1HB ALA 60 -3.829 -10.021 -4.775 414 2HB ALA 60 2HB ALA 60 -2.689 -9.018 -5.713 415 3HB ALA 60 3HB ALA 60 -4.291 -8.328 -5.238 416 H CYS 61 H CYS 61 -4.453 -6.642 -3.024 417 HA CYS 61 HA CYS 61 -5.181 -7.842 -0.439 418 1HB CYS 61 1HB CYS 61 -4.233 -5.357 -0.980 419 2HB CYS 61 2HB CYS 61 -5.952 -4.984 -1.152 420 H HIS 62 H HIS 62 -6.414 -9.080 -2.521 421 HA HIS 62 HA HIS 62 -9.016 -7.861 -2.997 422 1HB HIS 62 1HB HIS 62 -8.036 -10.630 -3.796 423 2HB HIS 62 2HB HIS 62 -9.575 -9.840 -4.285 424 HD1 HIS 62 HD1 HIS 62 -8.228 -10.574 -6.565 425 HD2 HIS 62 HD2 HIS 62 -7.059 -7.022 -4.650 426 HE1 HIS 62 HE1 HIS 62 -7.101 -9.142 -8.289 427 HE2 HIS 62 HE2 HIS 62 -6.385 -7.013 -7.099 428 H ASN 63 H ASN 63 -9.722 -7.681 -0.848 429 HA ASN 63 HA ASN 63 -10.276 -9.815 0.890 430 1HB ASN 63 1HB ASN 63 -11.717 -8.015 2.066 431 2HB ASN 63 2HB ASN 63 -9.969 -7.743 1.973 432 1HD2 ASN 63 1HD2 ASN 63 -9.176 -5.969 0.406 433 2HD2 ASN 63 2HD2 ASN 63 -10.336 -4.847 -0.183 434 H SER 64 H SER 64 -12.405 -7.781 -0.970 435 HA SER 64 HA SER 64 -14.642 -9.718 -0.736 436 1HB SER 64 1HB SER 64 -14.481 -6.777 -1.631 437 2HB SER 64 2HB SER 64 -16.001 -7.739 -1.709 438 HG SER 64 HG SER 64 -15.970 -7.915 0.530 439 H GLU 65 H GLU 65 -13.873 -11.270 -2.369 440 HA GLU 65 HA GLU 65 -13.253 -10.483 -4.998 441 1HB GLU 65 1HB GLU 65 -13.138 -12.962 -3.686 442 2HB GLU 65 2HB GLU 65 -14.355 -13.237 -4.922 443 1HG GLU 65 1HG GLU 65 -12.300 -13.875 -5.875 444 2HG GLU 65 2HG GLU 65 -12.756 -12.332 -6.680 445 HE2 GLU 65 HE2 GLU 65 -9.876 -12.118 -3.831 446 H ILE 66 H ILE 66 -16.273 -12.222 -4.184 447 HA ILE 66 HA ILE 66 -17.570 -10.908 -6.417 448 HB ILE 66 HB ILE 66 -17.702 -13.308 -6.235 449 1HG1 ILE 66 1HG1 ILE 66 -20.381 -11.809 -6.027 450 2HG1 ILE 66 2HG1 ILE 66 -19.268 -11.724 -7.435 451 1HG2 ILE 66 1HG2 ILE 66 -17.938 -13.579 -3.740 452 2HG2 ILE 66 2HG2 ILE 66 -19.227 -14.402 -4.670 453 3HG2 ILE 66 3HG2 ILE 66 -19.604 -12.860 -3.847 454 1HD1 ILE 66 1HD1 ILE 66 -20.683 -14.275 -6.395 455 2HD1 ILE 66 2HD1 ILE 66 -19.467 -14.235 -7.727 456 3HD1 ILE 66 3HD1 ILE 66 -21.033 -13.370 -7.910 457 H GLU 67 H GLU 67 -17.700 -11.152 -2.846 458 HA GLU 67 HA GLU 67 -18.466 -8.494 -2.669 459 1HB GLU 67 1HB GLU 67 -20.369 -8.783 -1.153 460 2HB GLU 67 2HB GLU 67 -20.759 -9.613 -2.686 461 1HG GLU 67 1HG GLU 67 -21.281 -11.458 -1.495 462 2HG GLU 67 2HG GLU 67 -19.531 -11.704 -1.194 463 HE2 GLU 67 HE2 GLU 67 -18.959 -9.718 0.582 Start of MODEL 12 1 1H GLY 1 1H GLY 1 5.209 -21.877 10.218 2 2H GLY 1 2H GLY 1 3.567 -21.452 10.274 3 3H GLY 1 3H GLY 1 4.366 -21.924 11.699 4 1HA GLY 1 1HA GLY 1 5.638 -20.016 11.781 5 2HA GLY 1 2HA GLY 1 5.134 -19.596 10.089 6 H ASP 2 H ASP 2 4.232 -17.600 10.502 7 HA ASP 2 HA ASP 2 1.519 -17.698 11.479 8 1HB ASP 2 1HB ASP 2 1.761 -15.903 13.199 9 2HB ASP 2 2HB ASP 2 2.746 -17.340 13.620 10 HD2 ASP 2 HD2 ASP 2 5.060 -14.821 14.246 11 H ASP 3 H ASP 3 0.407 -15.557 11.117 12 HA ASP 3 HA ASP 3 1.781 -13.740 9.298 13 1HB ASP 3 1HB ASP 3 0.386 -15.382 7.963 14 2HB ASP 3 2HB ASP 3 -1.070 -14.897 8.892 15 HD2 ASP 3 HD2 ASP 3 -2.062 -13.174 8.283 16 H VAL 4 H VAL 4 1.784 -11.851 10.314 17 HA VAL 4 HA VAL 4 -0.285 -11.279 12.321 18 HB VAL 4 HB VAL 4 1.745 -10.200 13.621 19 1HG1 VAL 4 1HG1 VAL 4 1.784 -12.283 14.978 20 2HG1 VAL 4 2HG1 VAL 4 1.026 -13.210 13.634 21 3HG1 VAL 4 3HG1 VAL 4 0.110 -11.899 14.461 22 1HG2 VAL 4 1HG2 VAL 4 3.093 -12.667 12.298 23 2HG2 VAL 4 2HG2 VAL 4 3.738 -11.639 13.603 24 3HG2 VAL 4 3HG2 VAL 4 3.581 -10.961 11.956 25 H LYS 5 H LYS 5 2.532 -9.200 11.344 26 HA LYS 5 HA LYS 5 0.586 -7.082 11.242 27 1HB LYS 5 1HB LYS 5 3.653 -7.030 11.224 28 2HB LYS 5 2HB LYS 5 2.586 -5.610 11.424 29 1HG LYS 5 1HG LYS 5 2.894 -7.950 13.417 30 2HG LYS 5 2HG LYS 5 3.612 -6.315 13.542 31 1HD LYS 5 1HD LYS 5 1.317 -5.300 13.671 32 2HD LYS 5 2HD LYS 5 0.579 -6.934 13.520 33 1HE LYS 5 1HE LYS 5 0.601 -6.224 15.884 34 2HE LYS 5 2HE LYS 5 1.695 -7.650 15.658 35 1HZ LYS 5 1HZ LYS 5 2.664 -5.920 17.026 36 2HZ LYS 5 2HZ LYS 5 2.545 -4.803 15.749 37 3HZ LYS 5 3HZ LYS 5 3.559 -6.158 15.601 38 H SER 6 H SER 6 0.210 -8.533 9.240 39 HA SER 6 HA SER 6 1.601 -8.217 6.869 40 1HB SER 6 1HB SER 6 -1.439 -8.569 7.160 41 2HB SER 6 2HB SER 6 -0.463 -8.925 5.681 42 HG SER 6 HG SER 6 -0.832 -10.790 6.999 43 H ALA 7 H ALA 7 1.750 -6.780 5.208 44 HA ALA 7 HA ALA 7 -0.340 -4.734 4.948 45 1HB ALA 7 1HB ALA 7 2.370 -5.144 3.521 46 2HB ALA 7 2HB ALA 7 2.098 -3.969 4.847 47 3HB ALA 7 3HB ALA 7 1.261 -3.736 3.253 48 H CYS 8 H CYS 8 -1.572 -4.718 3.072 49 HA CYS 8 HA CYS 8 -1.109 -6.945 1.210 50 1HB CYS 8 1HB CYS 8 -3.311 -7.217 0.833 51 2HB CYS 8 2HB CYS 8 -3.367 -6.679 2.524 52 H CYS 9 H CYS 9 -0.824 -6.614 -0.989 53 HA CYS 9 HA CYS 9 -0.582 -3.818 -1.887 54 1HB CYS 9 1HB CYS 9 1.484 -4.801 -0.716 55 2HB CYS 9 2HB CYS 9 1.507 -6.093 -1.923 56 H ASP 10 H ASP 10 -2.038 -3.933 -3.666 57 HA ASP 10 HA ASP 10 -1.857 -6.177 -5.475 58 1HB ASP 10 1HB ASP 10 -3.968 -4.831 -4.806 59 2HB ASP 10 2HB ASP 10 -3.359 -3.517 -5.819 60 HD2 ASP 10 HD2 ASP 10 -4.904 -4.991 -8.474 61 H THR 11 H THR 11 -0.491 -2.924 -5.323 62 HA THR 11 HA THR 11 0.665 -3.027 -8.001 63 HB THR 11 HB THR 11 -1.179 -0.730 -7.062 64 HG1 THR 11 HG1 THR 11 -1.880 -2.753 -8.909 65 1HG2 THR 11 1HG2 THR 11 -0.079 -1.489 -9.857 66 2HG2 THR 11 2HG2 THR 11 0.452 -0.095 -8.841 67 3HG2 THR 11 3HG2 THR 11 -1.210 -0.135 -9.497 68 H CYS 12 H CYS 12 2.514 -1.755 -8.060 69 HA CYS 12 HA CYS 12 3.229 -0.182 -5.736 70 1HB CYS 12 1HB CYS 12 5.058 -1.798 -5.261 71 2HB CYS 12 2HB CYS 12 3.426 -2.606 -5.179 72 H LEU 13 H LEU 13 5.319 0.651 -5.797 73 HA LEU 13 HA LEU 13 6.522 1.092 -8.430 74 1HB LEU 13 1HB LEU 13 4.604 2.603 -8.236 75 2HB LEU 13 2HB LEU 13 5.062 3.082 -6.578 76 HG LEU 13 HG LEU 13 6.970 3.633 -8.915 77 1HD1 LEU 13 1HD1 LEU 13 4.460 5.270 -8.214 78 2HD1 LEU 13 2HD1 LEU 13 4.750 4.350 -9.735 79 3HD1 LEU 13 3HD1 LEU 13 5.766 5.791 -9.342 80 1HD2 LEU 13 1HD2 LEU 13 6.264 5.223 -6.351 81 2HD2 LEU 13 2HD2 LEU 13 7.466 5.717 -7.594 82 3HD2 LEU 13 3HD2 LEU 13 7.762 4.254 -6.600 83 H CYS 14 H CYS 14 8.618 1.697 -8.228 84 HA CYS 14 HA CYS 14 9.818 1.845 -5.575 85 1HB CYS 14 1HB CYS 14 10.296 -0.286 -7.730 86 2HB CYS 14 2HB CYS 14 11.504 0.057 -6.477 87 H THR 15 H THR 15 11.661 2.907 -5.477 88 HA THR 15 HA THR 15 12.350 4.504 -7.789 89 HB THR 15 HB THR 15 14.097 5.475 -6.338 90 HG1 THR 15 HG1 THR 15 14.399 3.510 -5.128 91 1HG2 THR 15 1HG2 THR 15 11.715 6.312 -6.340 92 2HG2 THR 15 2HG2 THR 15 12.515 6.519 -4.733 93 3HG2 THR 15 3HG2 THR 15 11.319 5.201 -4.982 94 H ARG 16 H ARG 16 14.169 4.437 -9.095 95 HA ARG 16 HA ARG 16 16.242 2.493 -8.497 96 1HB ARG 16 1HB ARG 16 16.214 4.799 -10.514 97 2HB ARG 16 2HB ARG 16 17.565 3.657 -10.238 98 1HG ARG 16 1HG ARG 16 15.689 1.794 -10.699 99 2HG ARG 16 2HG ARG 16 14.861 3.152 -11.530 100 1HD ARG 16 1HD ARG 16 16.222 1.955 -13.208 101 2HD ARG 16 2HD ARG 16 17.076 3.524 -12.854 102 HE ARG 16 HE ARG 16 18.007 1.502 -11.028 103 1HH1 ARG 16 1HH1 ARG 16 18.183 2.280 -14.521 104 2HH1 ARG 16 2HH1 ARG 16 19.732 1.523 -14.726 105 1HH2 ARG 16 1HH2 ARG 16 20.040 0.500 -11.344 106 2HH2 ARG 16 2HH2 ARG 16 20.800 0.505 -12.904 107 H SER 17 H SER 17 17.754 2.912 -6.962 108 HA SER 17 HA SER 17 18.850 5.362 -6.256 109 1HB SER 17 1HB SER 17 16.391 5.692 -5.345 110 2HB SER 17 2HB SER 17 16.773 4.367 -4.194 111 HG SER 17 HG SER 17 17.115 6.593 -3.474 112 H GLN 18 H GLN 18 19.388 4.761 -3.632 113 HA GLN 18 HA GLN 18 20.411 2.028 -3.543 114 1HB GLN 18 1HB GLN 18 21.931 3.310 -5.013 115 2HB GLN 18 2HB GLN 18 22.175 4.527 -3.721 116 1HG GLN 18 1HG GLN 18 23.234 2.769 -2.238 117 2HG GLN 18 2HG GLN 18 22.901 1.511 -3.481 118 1HE2 GLN 18 1HE2 GLN 18 23.767 4.201 -5.289 119 2HE2 GLN 18 2HE2 GLN 18 25.486 3.943 -5.357 120 HA PRO 19 HA PRO 19 19.693 0.713 -2.098 121 1HB PRO 19 1HB PRO 19 17.960 0.036 -0.068 122 2HB PRO 19 2HB PRO 19 19.772 0.060 0.187 123 1HG PRO 19 1HG PRO 19 17.764 2.297 0.841 124 2HG PRO 19 2HG PRO 19 18.978 1.547 1.957 125 1HD PRO 19 1HD PRO 19 19.453 3.877 0.515 126 2HD PRO 19 2HD PRO 19 20.792 2.683 0.861 127 HA PRO 20 HA PRO 20 15.830 2.205 -3.855 128 1HB PRO 20 1HB PRO 20 14.541 -0.094 -4.669 129 2HB PRO 20 2HB PRO 20 16.099 0.418 -5.421 130 1HG PRO 20 1HG PRO 20 15.713 -1.572 -3.108 131 2HG PRO 20 2HG PRO 20 16.620 -1.848 -4.658 132 1HD PRO 20 1HD PRO 20 17.872 -1.036 -2.316 133 2HD PRO 20 2HD PRO 20 18.422 -0.405 -3.947 134 H THR 21 H THR 21 13.498 2.283 -3.511 135 HA THR 21 HA THR 21 12.510 1.394 -0.901 136 HB THR 21 HB THR 21 13.202 4.259 -1.798 137 HG1 THR 21 HG1 THR 21 14.520 4.279 -0.015 138 1HG2 THR 21 1HG2 THR 21 11.041 4.272 -0.491 139 2HG2 THR 21 2HG2 THR 21 12.367 4.980 0.475 140 3HG2 THR 21 3HG2 THR 21 11.820 3.308 0.833 141 H CYS 22 H CYS 22 10.171 1.643 -0.849 142 HA CYS 22 HA CYS 22 9.030 2.340 -3.485 143 1HB CYS 22 1HB CYS 22 8.745 -0.334 -1.954 144 2HB CYS 22 2HB CYS 22 8.026 -0.011 -3.535 145 H ARG 23 H ARG 23 6.639 1.365 -3.327 146 HA ARG 23 HA ARG 23 5.300 1.560 -0.836 147 1HB ARG 23 1HB ARG 23 5.682 4.045 -1.346 148 2HB ARG 23 2HB ARG 23 4.907 3.789 -2.924 149 1HG ARG 23 1HG ARG 23 2.775 3.047 -1.570 150 2HG ARG 23 2HG ARG 23 3.611 3.713 -0.129 151 1HD ARG 23 1HD ARG 23 2.958 5.221 -2.742 152 2HD ARG 23 2HD ARG 23 1.992 5.305 -1.190 153 HE ARG 23 HE ARG 23 4.454 5.936 -0.272 154 1HH1 ARG 23 1HH1 ARG 23 2.680 7.291 -3.103 155 2HH1 ARG 23 2HH1 ARG 23 3.451 8.820 -2.971 156 1HH2 ARG 23 1HH2 ARG 23 5.388 7.827 -0.125 157 2HH2 ARG 23 2HH2 ARG 23 5.083 9.185 -1.184 158 H CYS 24 H CYS 24 3.456 0.458 -1.031 159 HA CYS 24 HA CYS 24 2.541 -0.500 -3.605 160 1HB CYS 24 1HB CYS 24 1.372 -0.821 -0.777 161 2HB CYS 24 2HB CYS 24 0.744 -1.630 -2.243 162 H VAL 25 H VAL 25 1.612 1.034 -4.854 163 HA VAL 25 HA VAL 25 0.537 3.426 -3.863 164 HB VAL 25 HB VAL 25 0.166 4.024 -6.196 165 1HG1 VAL 25 1HG1 VAL 25 2.901 2.670 -5.622 166 2HG1 VAL 25 2HG1 VAL 25 2.399 4.311 -5.061 167 3HG1 VAL 25 3HG1 VAL 25 2.577 3.974 -6.817 168 1HG2 VAL 25 1HG2 VAL 25 0.835 2.473 -8.015 169 2HG2 VAL 25 2HG2 VAL 25 -0.505 1.731 -7.093 170 3HG2 VAL 25 3HG2 VAL 25 1.197 1.173 -6.849 171 H ASP 26 H ASP 26 -0.801 0.412 -4.383 172 HA ASP 26 HA ASP 26 -3.397 1.161 -5.154 173 1HB ASP 26 1HB ASP 26 -2.377 -1.160 -5.415 174 2HB ASP 26 2HB ASP 26 -2.730 -1.433 -3.665 175 HD2 ASP 26 HD2 ASP 26 -5.667 -1.237 -6.407 176 H VAL 27 H VAL 27 -4.494 2.515 -4.080 177 HA VAL 27 HA VAL 27 -4.658 2.839 -1.290 178 HB VAL 27 HB VAL 27 -4.778 4.563 -3.017 179 1HG1 VAL 27 1HG1 VAL 27 -6.830 4.917 -4.335 180 2HG1 VAL 27 2HG1 VAL 27 -7.619 3.493 -3.602 181 3HG1 VAL 27 3HG1 VAL 27 -6.230 3.273 -4.728 182 1HG2 VAL 27 1HG2 VAL 27 -7.412 4.416 -1.412 183 2HG2 VAL 27 2HG2 VAL 27 -6.528 5.883 -1.975 184 3HG2 VAL 27 3HG2 VAL 27 -5.807 4.851 -0.692 185 H ARG 28 H ARG 28 -6.141 2.320 0.258 186 HA ARG 28 HA ARG 28 -8.492 0.800 -0.643 187 1HB ARG 28 1HB ARG 28 -6.564 0.103 1.626 188 2HB ARG 28 2HB ARG 28 -8.201 -0.639 1.449 189 1HG ARG 28 1HG ARG 28 -5.931 -0.814 -0.618 190 2HG ARG 28 2HG ARG 28 -6.365 -2.113 0.560 191 1HD ARG 28 1HD ARG 28 -8.535 -2.464 -0.430 192 2HD ARG 28 2HD ARG 28 -8.382 -1.023 -1.500 193 HE ARG 28 HE ARG 28 -6.442 -2.100 -2.622 194 1HH1 ARG 28 1HH1 ARG 28 -8.772 -4.347 -1.023 195 2HH1 ARG 28 2HH1 ARG 28 -8.456 -5.607 -2.166 196 1HH2 ARG 28 1HH2 ARG 28 -6.122 -3.780 -4.084 197 2HH2 ARG 28 2HH2 ARG 28 -6.940 -5.302 -3.902 198 H GLU 29 H GLU 29 -10.253 0.826 0.792 199 HA GLU 29 HA GLU 29 -10.748 2.982 2.500 200 1HB GLU 29 1HB GLU 29 -11.764 0.145 2.046 201 2HB GLU 29 2HB GLU 29 -12.415 1.112 3.422 202 1HG GLU 29 1HG GLU 29 -13.150 2.900 1.804 203 2HG GLU 29 2HG GLU 29 -12.466 1.933 0.448 204 HE2 GLU 29 HE2 GLU 29 -14.643 1.714 3.141 205 H SER 30 H SER 30 -9.869 -0.360 3.335 206 HA SER 30 HA SER 30 -9.358 0.312 6.068 207 1HB SER 30 1HB SER 30 -8.801 -2.380 4.700 208 2HB SER 30 2HB SER 30 -8.770 -2.017 6.463 209 HG SER 30 HG SER 30 -10.723 -2.876 5.985 210 H CYS 31 H CYS 31 -7.670 1.106 6.898 211 HA CYS 31 HA CYS 31 -5.088 0.582 5.589 212 1HB CYS 31 1HB CYS 31 -5.865 2.959 6.295 213 2HB CYS 31 2HB CYS 31 -5.365 2.456 7.966 214 H HIS 32 H HIS 32 -3.208 0.205 7.127 215 HA HIS 32 HA HIS 32 -3.659 -1.404 9.406 216 1HB HIS 32 1HB HIS 32 -2.203 -3.274 7.889 217 2HB HIS 32 2HB HIS 32 -3.999 -3.389 8.206 218 HD1 HIS 32 HD1 HIS 32 -1.565 -2.073 5.667 219 HD2 HIS 32 HD2 HIS 32 -5.590 -3.187 5.911 220 HE1 HIS 32 HE1 HIS 32 -2.515 -1.832 3.362 221 HE2 HIS 32 HE2 HIS 32 -4.982 -2.506 3.529 222 H SER 33 H SER 33 -1.562 -1.731 10.354 223 HA SER 33 HA SER 33 -0.026 0.623 9.791 224 1HB SER 33 1HB SER 33 0.196 -1.477 12.035 225 2HB SER 33 2HB SER 33 1.269 -0.035 11.925 226 HG SER 33 HG SER 33 -0.494 0.378 13.239 227 H ALA 34 H ALA 34 0.636 -0.334 7.674 228 HA ALA 34 HA ALA 34 3.027 -1.889 7.669 229 1HB ALA 34 1HB ALA 34 1.877 0.031 5.541 230 2HB ALA 34 2HB ALA 34 1.506 -1.725 5.699 231 3HB ALA 34 3HB ALA 34 3.171 -1.203 5.268 232 H CYS 35 H CYS 35 2.307 1.538 7.989 233 HA CYS 35 HA CYS 35 5.050 2.089 8.751 234 1HB CYS 35 1HB CYS 35 4.990 4.214 7.613 235 2HB CYS 35 2HB CYS 35 4.554 2.898 6.446 236 H ASP 36 H ASP 36 4.606 4.643 9.768 237 HA ASP 36 HA ASP 36 2.631 4.015 11.875 238 1HB ASP 36 1HB ASP 36 5.330 4.613 12.089 239 2HB ASP 36 2HB ASP 36 4.610 6.232 12.332 240 HD2 ASP 36 HD2 ASP 36 2.411 5.701 13.588 241 H LYS 37 H LYS 37 2.873 6.118 9.178 242 HA LYS 37 HA LYS 37 0.713 7.767 10.298 243 1HB LYS 37 1HB LYS 37 2.967 8.891 10.133 244 2HB LYS 37 2HB LYS 37 2.946 8.629 8.369 245 1HG LYS 37 1HG LYS 37 1.213 10.215 8.018 246 2HG LYS 37 2HG LYS 37 0.575 10.023 9.679 247 1HD LYS 37 1HD LYS 37 1.670 12.254 9.421 248 2HD LYS 37 2HD LYS 37 2.430 11.236 10.681 249 1HE LYS 37 1HE LYS 37 4.199 12.382 9.541 250 2HE LYS 37 2HE LYS 37 4.319 10.661 9.034 251 1HZ LYS 37 1HZ LYS 37 3.076 11.313 7.015 252 2HZ LYS 37 2HZ LYS 37 4.591 12.066 7.186 253 3HZ LYS 37 3HZ LYS 37 3.167 12.935 7.513 254 H CYS 38 H CYS 38 -0.784 6.147 9.381 255 HA CYS 38 HA CYS 38 -1.104 6.313 6.519 256 1HB CYS 38 1HB CYS 38 -1.578 4.290 7.940 257 2HB CYS 38 2HB CYS 38 -2.968 5.180 8.668 258 H VAL 39 H VAL 39 -2.224 7.740 5.421 259 HA VAL 39 HA VAL 39 -3.789 9.752 6.827 260 HB VAL 39 HB VAL 39 -1.517 10.217 5.944 261 1HG1 VAL 39 1HG1 VAL 39 -1.208 10.616 3.543 262 2HG1 VAL 39 2HG1 VAL 39 -2.813 9.890 3.179 263 3HG1 VAL 39 3HG1 VAL 39 -1.487 8.855 3.867 264 1HG2 VAL 39 1HG2 VAL 39 -2.198 12.338 4.844 265 2HG2 VAL 39 2HG2 VAL 39 -3.279 11.987 6.261 266 3HG2 VAL 39 3HG2 VAL 39 -3.848 11.689 4.556 267 H CYS 40 H CYS 40 -5.833 10.373 5.800 268 HA CYS 40 HA CYS 40 -6.751 8.511 3.739 269 1HB CYS 40 1HB CYS 40 -7.906 9.003 6.510 270 2HB CYS 40 2HB CYS 40 -8.749 8.107 5.243 271 H ALA 41 H ALA 41 -7.831 9.477 2.301 272 HA ALA 41 HA ALA 41 -9.038 12.085 2.581 273 1HB ALA 41 1HB ALA 41 -7.935 11.541 0.474 274 2HB ALA 41 2HB ALA 41 -9.685 11.906 0.262 275 3HB ALA 41 3HB ALA 41 -9.102 10.190 0.198 276 H TYR 42 H TYR 42 -11.071 12.601 2.894 277 HA TYR 42 HA TYR 42 -12.798 10.627 3.962 278 1HB TYR 42 1HB TYR 42 -14.178 12.764 4.521 279 2HB TYR 42 2HB TYR 42 -12.514 12.563 5.182 280 HD1 TYR 42 HD1 TYR 42 -14.355 14.156 2.256 281 HD2 TYR 42 HD2 TYR 42 -10.838 14.215 4.744 282 HE1 TYR 42 HE1 TYR 42 -13.711 16.337 1.307 283 HE2 TYR 42 HE2 TYR 42 -10.241 16.407 3.837 284 HH TYR 42 HH TYR 42 -12.208 18.082 1.372 285 H SER 43 H SER 43 -12.480 10.394 1.218 286 HA SER 43 HA SER 43 -14.555 11.286 -0.405 287 1HB SER 43 1HB SER 43 -12.913 8.730 -0.766 288 2HB SER 43 2HB SER 43 -13.738 9.711 -2.069 289 HG SER 43 HG SER 43 -11.544 10.194 -1.961 290 H ASN 44 H ASN 44 -15.550 9.156 -1.821 291 HA ASN 44 HA ASN 44 -17.191 7.470 -0.086 292 1HB ASN 44 1HB ASN 44 -17.940 9.613 -2.121 293 2HB ASN 44 2HB ASN 44 -18.928 8.141 -2.109 294 1HD2 ASN 44 1HD2 ASN 44 -17.745 10.566 0.380 295 2HD2 ASN 44 2HD2 ASN 44 -19.276 10.637 1.160 296 HA PRO 45 HA PRO 45 -16.635 5.564 0.222 297 1HB PRO 45 1HB PRO 45 -15.097 3.318 0.006 298 2HB PRO 45 2HB PRO 45 -16.740 3.339 -0.643 299 1HG PRO 45 1HG PRO 45 -14.145 3.863 -2.207 300 2HG PRO 45 2HG PRO 45 -15.462 2.712 -2.622 301 1HD PRO 45 1HD PRO 45 -15.314 5.293 -3.658 302 2HD PRO 45 2HD PRO 45 -16.914 4.472 -3.344 303 HA PRO 46 HA PRO 46 -12.993 7.732 1.177 304 1HB PRO 46 1HB PRO 46 -12.332 7.007 3.743 305 2HB PRO 46 2HB PRO 46 -13.905 7.808 3.353 306 1HG PRO 46 1HG PRO 46 -13.384 4.800 3.642 307 2HG PRO 46 2HG PRO 46 -14.644 5.830 4.467 308 1HD PRO 46 1HD PRO 46 -15.138 4.356 2.151 309 2HD PRO 46 2HD PRO 46 -15.930 6.028 2.461 310 H GLN 47 H GLN 47 -10.551 7.605 1.816 311 HA GLN 47 HA GLN 47 -9.443 5.128 0.662 312 1HB GLN 47 1HB GLN 47 -9.018 8.067 -0.160 313 2HB GLN 47 2HB GLN 47 -8.110 6.689 -0.835 314 1HG GLN 47 1HG GLN 47 -11.167 7.041 -1.156 315 2HG GLN 47 2HG GLN 47 -9.940 7.700 -2.292 316 1HE2 GLN 47 1HE2 GLN 47 -11.136 4.618 -0.880 317 2HE2 GLN 47 2HE2 GLN 47 -10.503 3.594 -2.148 318 H CYS 48 H CYS 48 -7.352 4.697 1.305 319 HA CYS 48 HA CYS 48 -5.982 6.561 3.084 320 1HB CYS 48 1HB CYS 48 -6.947 3.688 3.698 321 2HB CYS 48 2HB CYS 48 -5.711 4.556 4.679 322 H GLN 49 H GLN 49 -3.900 6.354 3.115 323 HA GLN 49 HA GLN 49 -2.457 4.236 1.764 324 1HB GLN 49 1HB GLN 49 -2.437 7.272 1.244 325 2HB GLN 49 2HB GLN 49 -1.186 6.161 0.556 326 1HG GLN 49 1HG GLN 49 -2.422 5.686 -1.244 327 2HG GLN 49 2HG GLN 49 -3.813 5.174 -0.237 328 1HE2 GLN 49 1HE2 GLN 49 -2.249 8.026 -1.750 329 2HE2 GLN 49 2HE2 GLN 49 -3.710 8.985 -1.806 330 H CYS 50 H CYS 50 -0.137 4.450 2.248 331 HA CYS 50 HA CYS 50 0.420 5.792 4.821 332 1HB CYS 50 1HB CYS 50 1.544 3.544 4.246 333 2HB CYS 50 2HB CYS 50 2.388 4.391 2.912 334 H TYR 51 H TYR 51 1.256 7.755 5.030 335 HA TYR 51 HA TYR 51 1.553 9.577 2.951 336 1HB TYR 51 1HB TYR 51 1.461 9.699 5.691 337 2HB TYR 51 2HB TYR 51 3.200 9.977 5.493 338 HD1 TYR 51 HD1 TYR 51 3.481 11.676 3.097 339 HD2 TYR 51 HD2 TYR 51 0.331 11.674 6.055 340 HE1 TYR 51 HE1 TYR 51 2.977 13.944 2.547 341 HE2 TYR 51 HE2 TYR 51 -0.155 13.983 5.516 342 HH TYR 51 HH TYR 51 0.315 15.779 4.177 343 H ASP 52 H ASP 52 4.014 7.753 4.686 344 HA ASP 52 HA ASP 52 6.086 8.513 2.775 345 1HB ASP 52 1HB ASP 52 7.654 7.878 4.546 346 2HB ASP 52 2HB ASP 52 6.401 9.027 5.127 347 HD2 ASP 52 HD2 ASP 52 5.145 7.065 7.503 348 H THR 53 H THR 53 7.918 6.486 3.106 349 HA THR 53 HA THR 53 6.864 4.677 1.154 350 HB THR 53 HB THR 53 9.307 3.956 1.001 351 HG1 THR 53 HG1 THR 53 9.987 4.685 3.066 352 1HG2 THR 53 1HG2 THR 53 8.554 6.952 0.687 353 2HG2 THR 53 2HG2 THR 53 8.237 5.645 -0.514 354 3HG2 THR 53 3HG2 THR 53 9.926 6.117 -0.106 355 H HIS 54 H HIS 54 7.502 2.322 1.077 356 HA HIS 54 HA HIS 54 8.079 1.134 3.559 357 1HB HIS 54 1HB HIS 54 5.620 1.352 3.823 358 2HB HIS 54 2HB HIS 54 5.382 0.448 2.276 359 HD1 HIS 54 HD1 HIS 54 5.258 -1.904 2.329 360 HD2 HIS 54 HD2 HIS 54 6.508 -0.466 6.068 361 HE1 HIS 54 HE1 HIS 54 5.142 -3.822 3.918 362 HE2 HIS 54 HE2 HIS 54 5.890 -2.938 6.188 363 H LYS 55 H LYS 55 8.687 -1.001 3.373 364 HA LYS 55 HA LYS 55 10.379 -2.102 2.054 365 1HB LYS 55 1HB LYS 55 7.656 -3.437 2.317 366 2HB LYS 55 2HB LYS 55 9.153 -4.361 1.851 367 1HG LYS 55 1HG LYS 55 10.160 -3.628 4.076 368 2HG LYS 55 2HG LYS 55 8.518 -3.022 4.513 369 1HD LYS 55 1HD LYS 55 7.639 -5.377 3.805 370 2HD LYS 55 2HD LYS 55 9.359 -5.905 3.862 371 1HE LYS 55 1HE LYS 55 7.689 -4.667 6.165 372 2HE LYS 55 2HE LYS 55 8.149 -6.410 5.998 373 1HZ LYS 55 1HZ LYS 55 10.044 -4.127 6.295 374 2HZ LYS 55 2HZ LYS 55 10.453 -5.771 6.203 375 3HZ LYS 55 3HZ LYS 55 9.565 -5.192 7.529 376 H PHE 56 H PHE 56 7.830 -3.629 0.161 377 HA PHE 56 HA PHE 56 8.766 -2.619 -2.334 378 1HB PHE 56 1HB PHE 56 9.747 -4.823 -3.138 379 2HB PHE 56 2HB PHE 56 10.692 -4.039 -1.854 380 HD1 PHE 56 HD1 PHE 56 8.497 -6.967 -2.633 381 HD2 PHE 56 HD2 PHE 56 10.892 -5.008 0.365 382 HE1 PHE 56 HE1 PHE 56 8.392 -8.967 -1.246 383 HE2 PHE 56 HE2 PHE 56 10.768 -7.013 1.765 384 HZ PHE 56 HZ PHE 56 9.494 -9.006 0.994 385 H CYS 57 H CYS 57 7.834 -4.726 -4.014 386 HA CYS 57 HA CYS 57 5.033 -4.529 -3.696 387 1HB CYS 57 1HB CYS 57 6.746 -6.320 -5.490 388 2HB CYS 57 2HB CYS 57 4.997 -5.983 -5.722 389 H TYR 58 H TYR 58 4.236 -5.480 -1.938 390 HA TYR 58 HA TYR 58 5.159 -8.093 -1.094 391 1HB TYR 58 1HB TYR 58 4.579 -5.829 0.313 392 2HB TYR 58 2HB TYR 58 2.941 -6.531 0.327 393 HD1 TYR 58 HD1 TYR 58 2.618 -7.538 2.489 394 HD2 TYR 58 HD2 TYR 58 6.539 -7.782 0.702 395 HE1 TYR 58 HE1 TYR 58 3.318 -9.001 4.246 396 HE2 TYR 58 HE2 TYR 58 7.250 -9.271 2.481 397 HH TYR 58 HH TYR 58 6.526 -10.658 4.177 398 H LYS 59 H LYS 59 3.031 -9.029 0.269 399 HA LYS 59 HA LYS 59 1.799 -10.820 -1.371 400 1HB LYS 59 1HB LYS 59 0.874 -9.727 1.333 401 2HB LYS 59 2HB LYS 59 0.200 -11.198 0.536 402 1HG LYS 59 1HG LYS 59 2.422 -12.315 0.645 403 2HG LYS 59 2HG LYS 59 3.155 -10.873 1.410 404 1HD LYS 59 1HD LYS 59 1.507 -11.079 3.328 405 2HD LYS 59 2HD LYS 59 0.952 -12.638 2.609 406 1HE LYS 59 1HE LYS 59 3.327 -13.486 2.696 407 2HE LYS 59 2HE LYS 59 3.853 -11.951 3.489 408 1HZ LYS 59 1HZ LYS 59 3.481 -13.712 5.061 409 2HZ LYS 59 2HZ LYS 59 1.868 -13.897 4.559 410 3HZ LYS 59 3HZ LYS 59 2.354 -12.461 5.316 411 H ALA 60 H ALA 60 -0.200 -11.152 -2.274 412 HA ALA 60 HA ALA 60 -1.376 -8.807 -3.305 413 1HB ALA 60 1HB ALA 60 -1.116 -10.924 -4.590 414 2HB ALA 60 2HB ALA 60 -2.856 -10.447 -4.543 415 3HB ALA 60 3HB ALA 60 -2.237 -11.756 -3.453 416 H CYS 61 H CYS 61 -3.588 -8.233 -3.371 417 HA CYS 61 HA CYS 61 -4.981 -8.670 -0.811 418 1HB CYS 61 1HB CYS 61 -3.633 -6.453 -1.282 419 2HB CYS 61 2HB CYS 61 -4.956 -6.011 -2.379 420 H HIS 62 H HIS 62 -5.866 -10.387 -2.508 421 HA HIS 62 HA HIS 62 -8.406 -9.144 -3.464 422 1HB HIS 62 1HB HIS 62 -7.009 -11.642 -4.524 423 2HB HIS 62 2HB HIS 62 -8.646 -11.091 -4.986 424 HD1 HIS 62 HD1 HIS 62 -6.936 -11.407 -7.211 425 HD2 HIS 62 HD2 HIS 62 -6.794 -7.782 -5.088 426 HE1 HIS 62 HE1 HIS 62 -5.928 -9.676 -8.727 427 HE2 HIS 62 HE2 HIS 62 -5.826 -7.520 -7.394 428 H ASN 63 H ASN 63 -9.463 -9.326 -1.451 429 HA ASN 63 HA ASN 63 -9.475 -11.603 0.085 430 1HB ASN 63 1HB ASN 63 -11.602 -10.431 1.107 431 2HB ASN 63 2HB ASN 63 -9.977 -9.793 1.338 432 1HD2 ASN 63 1HD2 ASN 63 -9.438 -7.681 0.387 433 2HD2 ASN 63 2HD2 ASN 63 -10.672 -6.731 -0.353 434 H SER 64 H SER 64 -12.498 -10.412 -1.217 435 HA SER 64 HA SER 64 -13.499 -13.143 -1.156 436 1HB SER 64 1HB SER 64 -15.680 -12.272 -1.050 437 2HB SER 64 2HB SER 64 -14.663 -11.094 -0.131 438 HG SER 64 HG SER 64 -15.893 -9.871 -1.524 439 H GLU 65 H GLU 65 -15.517 -13.268 -2.936 440 HA GLU 65 HA GLU 65 -14.293 -14.181 -5.214 441 1HB GLU 65 1HB GLU 65 -16.449 -14.772 -6.044 442 2HB GLU 65 2HB GLU 65 -16.337 -15.162 -4.315 443 1HG GLU 65 1HG GLU 65 -17.781 -12.673 -5.462 444 2HG GLU 65 2HG GLU 65 -18.578 -14.229 -5.092 445 HE2 GLU 65 HE2 GLU 65 -18.808 -11.714 -2.383 446 H ILE 66 H ILE 66 -15.211 -11.000 -4.649 447 HA ILE 66 HA ILE 66 -14.143 -10.176 -7.151 448 HB ILE 66 HB ILE 66 -16.171 -8.428 -7.360 449 1HG1 ILE 66 1HG1 ILE 66 -18.361 -9.523 -7.245 450 2HG1 ILE 66 2HG1 ILE 66 -17.646 -10.971 -6.478 451 1HG2 ILE 66 1HG2 ILE 66 -15.140 -9.865 -9.131 452 2HG2 ILE 66 2HG2 ILE 66 -16.916 -9.700 -9.304 453 3HG2 ILE 66 3HG2 ILE 66 -16.203 -11.227 -8.639 454 1HD1 ILE 66 1HD1 ILE 66 -18.839 -9.403 -4.867 455 2HD1 ILE 66 2HD1 ILE 66 -17.629 -8.125 -5.255 456 3HD1 ILE 66 3HD1 ILE 66 -17.115 -9.639 -4.425 457 H GLU 67 H GLU 67 -13.823 -7.715 -7.192 458 HA GLU 67 HA GLU 67 -14.524 -6.207 -5.042 459 1HB GLU 67 1HB GLU 67 -12.255 -5.279 -4.613 460 2HB GLU 67 2HB GLU 67 -12.433 -6.869 -3.853 461 1HG GLU 67 1HG GLU 67 -11.170 -6.492 -6.670 462 2HG GLU 67 2HG GLU 67 -10.220 -6.186 -5.198 463 HE2 GLU 67 HE2 GLU 67 -12.268 -8.636 -4.481 Start of MODEL 13 1 1H GLY 1 1H GLY 1 2.220 -9.829 9.145 2 2H GLY 1 2H GLY 1 2.026 -9.143 10.682 3 3H GLY 1 3H GLY 1 1.001 -10.398 10.184 4 1HA GLY 1 1HA GLY 1 3.908 -10.596 10.610 5 2HA GLY 1 2HA GLY 1 2.606 -11.216 11.719 6 H ASP 2 H ASP 2 2.113 -13.328 11.482 7 HA ASP 2 HA ASP 2 1.869 -14.535 8.832 8 1HB ASP 2 1HB ASP 2 3.736 -15.634 11.058 9 2HB ASP 2 2HB ASP 2 3.243 -16.553 9.596 10 HD2 ASP 2 HD2 ASP 2 5.492 -15.124 7.558 11 H ASP 3 H ASP 3 0.294 -13.716 11.275 12 HA ASP 3 HA ASP 3 -1.544 -15.780 10.848 13 1HB ASP 3 1HB ASP 3 -0.310 -16.855 12.790 14 2HB ASP 3 2HB ASP 3 -0.697 -15.424 13.801 15 HD2 ASP 3 HD2 ASP 3 -3.891 -17.618 12.611 16 H VAL 4 H VAL 4 -0.844 -13.097 13.212 17 HA VAL 4 HA VAL 4 -3.367 -11.902 12.822 18 HB VAL 4 HB VAL 4 -1.804 -11.464 14.729 19 1HG1 VAL 4 1HG1 VAL 4 -0.581 -9.388 12.755 20 2HG1 VAL 4 2HG1 VAL 4 0.270 -10.885 13.268 21 3HG1 VAL 4 3HG1 VAL 4 -0.154 -9.620 14.477 22 1HG2 VAL 4 1HG2 VAL 4 -3.003 -8.989 13.335 23 2HG2 VAL 4 2HG2 VAL 4 -2.663 -9.234 15.083 24 3HG2 VAL 4 3HG2 VAL 4 -3.930 -10.221 14.292 25 H LYS 5 H LYS 5 -4.057 -10.285 11.474 26 HA LYS 5 HA LYS 5 -3.728 -10.624 9.001 27 1HB LYS 5 1HB LYS 5 -5.451 -9.147 10.211 28 2HB LYS 5 2HB LYS 5 -4.306 -7.795 9.938 29 1HG LYS 5 1HG LYS 5 -4.464 -8.388 7.401 30 2HG LYS 5 2HG LYS 5 -5.735 -9.574 7.865 31 1HD LYS 5 1HD LYS 5 -6.983 -7.669 7.239 32 2HD LYS 5 2HD LYS 5 -6.927 -7.550 9.032 33 1HE LYS 5 1HE LYS 5 -5.002 -5.883 8.805 34 2HE LYS 5 2HE LYS 5 -5.152 -5.999 7.009 35 1HZ LYS 5 1HZ LYS 5 -7.439 -5.247 7.223 36 2HZ LYS 5 2HZ LYS 5 -6.341 -4.130 7.878 37 3HZ LYS 5 3HZ LYS 5 -7.260 -5.119 8.904 38 H SER 6 H SER 6 -2.414 -10.594 7.503 39 HA SER 6 HA SER 6 0.024 -9.260 7.322 40 1HB SER 6 1HB SER 6 -0.106 -10.094 4.873 41 2HB SER 6 2HB SER 6 -0.199 -11.313 6.195 42 HG SER 6 HG SER 6 -1.942 -10.959 4.293 43 H ALA 7 H ALA 7 0.750 -7.945 5.478 44 HA ALA 7 HA ALA 7 -0.888 -5.610 5.095 45 1HB ALA 7 1HB ALA 7 1.150 -4.875 3.744 46 2HB ALA 7 2HB ALA 7 1.782 -6.563 3.868 47 3HB ALA 7 3HB ALA 7 1.640 -5.544 5.343 48 H CYS 8 H CYS 8 -1.465 -4.741 2.979 49 HA CYS 8 HA CYS 8 -1.325 -6.546 0.691 50 1HB CYS 8 1HB CYS 8 -3.959 -5.121 1.358 51 2HB CYS 8 2HB CYS 8 -3.571 -6.122 -0.072 52 H CYS 9 H CYS 9 -0.740 -5.369 -1.179 53 HA CYS 9 HA CYS 9 -1.642 -2.562 -1.263 54 1HB CYS 9 1HB CYS 9 1.168 -3.686 -1.667 55 2HB CYS 9 2HB CYS 9 0.649 -2.250 -2.627 56 H ASP 10 H ASP 10 -2.808 -2.205 -3.206 57 HA ASP 10 HA ASP 10 -2.837 -4.479 -4.944 58 1HB ASP 10 1HB ASP 10 -4.748 -2.735 -4.157 59 2HB ASP 10 2HB ASP 10 -4.321 -1.933 -5.653 60 HD2 ASP 10 HD2 ASP 10 -3.930 -3.689 -7.410 61 H THR 11 H THR 11 -1.040 -1.573 -4.896 62 HA THR 11 HA THR 11 0.291 -2.269 -7.341 63 HB THR 11 HB THR 11 -0.735 0.596 -7.029 64 HG1 THR 11 HG1 THR 11 -1.795 -1.330 -8.812 65 1HG2 THR 11 1HG2 THR 11 -0.189 0.684 -9.512 66 2HG2 THR 11 2HG2 THR 11 0.449 -0.987 -9.422 67 3HG2 THR 11 3HG2 THR 11 1.240 0.355 -8.507 68 H CYS 12 H CYS 12 2.450 -1.613 -7.171 69 HA CYS 12 HA CYS 12 3.237 0.368 -5.237 70 1HB CYS 12 1HB CYS 12 4.647 -1.289 -4.015 71 2HB CYS 12 2HB CYS 12 2.883 -1.713 -3.964 72 H LEU 13 H LEU 13 5.546 0.617 -5.087 73 HA LEU 13 HA LEU 13 6.786 0.552 -7.746 74 1HB LEU 13 1HB LEU 13 4.990 2.274 -7.584 75 2HB LEU 13 2HB LEU 13 5.724 2.958 -6.112 76 HG LEU 13 HG LEU 13 7.023 2.872 -8.933 77 1HD1 LEU 13 1HD1 LEU 13 5.548 5.170 -7.499 78 2HD1 LEU 13 2HD1 LEU 13 4.877 4.175 -8.846 79 3HD1 LEU 13 3HD1 LEU 13 6.310 5.232 -9.130 80 1HD2 LEU 13 1HD2 LEU 13 7.778 4.430 -6.371 81 2HD2 LEU 13 2HD2 LEU 13 8.396 4.818 -8.021 82 3HD2 LEU 13 3HD2 LEU 13 8.802 3.242 -7.267 83 H CYS 14 H CYS 14 8.679 -0.231 -7.208 84 HA CYS 14 HA CYS 14 10.077 0.800 -4.868 85 1HB CYS 14 1HB CYS 14 10.832 -1.503 -6.674 86 2HB CYS 14 2HB CYS 14 11.763 -0.943 -5.276 87 H THR 15 H THR 15 11.951 1.958 -4.893 88 HA THR 15 HA THR 15 12.230 3.514 -7.272 89 HB THR 15 HB THR 15 13.994 4.759 -6.117 90 HG1 THR 15 HG1 THR 15 14.924 3.750 -4.540 91 1HG2 THR 15 1HG2 THR 15 11.533 5.293 -5.900 92 2HG2 THR 15 2HG2 THR 15 12.474 5.715 -4.416 93 3HG2 THR 15 3HG2 THR 15 11.434 4.242 -4.443 94 H ARG 16 H ARG 16 13.838 3.793 -8.662 95 HA ARG 16 HA ARG 16 16.129 2.023 -8.733 96 1HB ARG 16 1HB ARG 16 15.069 4.124 -10.660 97 2HB ARG 16 2HB ARG 16 16.685 3.386 -10.851 98 1HG ARG 16 1HG ARG 16 14.142 1.706 -10.614 99 2HG ARG 16 2HG ARG 16 14.712 2.327 -12.182 100 1HD ARG 16 1HD ARG 16 16.516 0.606 -10.341 101 2HD ARG 16 2HD ARG 16 15.389 -0.130 -11.531 102 HE ARG 16 HE ARG 16 17.881 1.356 -12.101 103 1HH1 ARG 16 1HH1 ARG 16 14.744 0.240 -13.484 104 2HH1 ARG 16 2HH1 ARG 16 15.267 0.480 -15.117 105 1HH2 ARG 16 1HH2 ARG 16 18.488 1.673 -14.306 106 2HH2 ARG 16 2HH2 ARG 16 17.377 1.286 -15.586 107 H SER 17 H SER 17 17.621 2.603 -7.206 108 HA SER 17 HA SER 17 18.729 5.177 -6.952 109 1HB SER 17 1HB SER 17 17.736 5.835 -4.757 110 2HB SER 17 2HB SER 17 16.405 5.615 -5.907 111 HG SER 17 HG SER 17 17.210 3.954 -3.745 112 H GLN 18 H GLN 18 19.828 5.038 -4.495 113 HA GLN 18 HA GLN 18 20.424 2.274 -3.833 114 1HB GLN 18 1HB GLN 18 22.361 4.373 -4.859 115 2HB GLN 18 2HB GLN 18 22.935 3.079 -3.758 116 1HG GLN 18 1HG GLN 18 21.710 2.600 -6.554 117 2HG GLN 18 2HG GLN 18 23.439 2.496 -6.085 118 1HE2 GLN 18 1HE2 GLN 18 20.276 0.898 -5.800 119 2HE2 GLN 18 2HE2 GLN 18 20.917 -0.643 -5.242 120 HA PRO 19 HA PRO 19 20.452 1.191 -2.049 121 1HB PRO 19 1HB PRO 19 19.016 0.783 0.269 122 2HB PRO 19 2HB PRO 19 20.821 1.117 0.303 123 1HG PRO 19 1HG PRO 19 18.536 3.154 0.660 124 2HG PRO 19 2HG PRO 19 19.936 2.832 1.773 125 1HD PRO 19 1HD PRO 19 19.996 4.824 -0.158 126 2HD PRO 19 2HD PRO 19 21.494 3.872 0.264 127 HA PRO 20 HA PRO 20 16.308 1.632 -3.685 128 1HB PRO 20 1HB PRO 20 15.202 -0.888 -3.510 129 2HB PRO 20 2HB PRO 20 16.608 -0.544 -4.590 130 1HG PRO 20 1HG PRO 20 16.688 -1.661 -1.732 131 2HG PRO 20 2HG PRO 20 17.466 -2.359 -3.219 132 1HD PRO 20 1HD PRO 20 18.850 -0.743 -1.459 133 2HD PRO 20 2HD PRO 20 19.135 -0.622 -3.267 134 H THR 21 H THR 21 14.043 1.707 -3.099 135 HA THR 21 HA THR 21 13.330 1.584 -0.255 136 HB THR 21 HB THR 21 13.496 4.117 -2.029 137 HG1 THR 21 HG1 THR 21 15.490 3.659 -1.135 138 1HG2 THR 21 1HG2 THR 21 11.523 4.226 -0.527 139 2HG2 THR 21 2HG2 THR 21 12.793 5.346 0.045 140 3HG2 THR 21 3HG2 THR 21 12.551 3.782 0.905 141 H CYS 22 H CYS 22 10.935 1.471 -0.166 142 HA CYS 22 HA CYS 22 9.648 1.725 -2.812 143 1HB CYS 22 1HB CYS 22 10.809 -0.575 -2.500 144 2HB CYS 22 2HB CYS 22 9.663 -0.861 -1.187 145 H ARG 23 H ARG 23 7.403 1.266 -2.780 146 HA ARG 23 HA ARG 23 5.887 1.787 -0.402 147 1HB ARG 23 1HB ARG 23 5.260 4.186 -1.101 148 2HB ARG 23 2HB ARG 23 6.935 4.040 -0.551 149 1HG ARG 23 1HG ARG 23 7.750 4.812 -2.481 150 2HG ARG 23 2HG ARG 23 6.882 3.570 -3.447 151 1HD ARG 23 1HD ARG 23 6.201 5.770 -4.235 152 2HD ARG 23 2HD ARG 23 4.797 5.038 -3.345 153 HE ARG 23 HE ARG 23 6.785 7.010 -2.180 154 1HH1 ARG 23 1HH1 ARG 23 3.290 6.050 -2.389 155 2HH1 ARG 23 2HH1 ARG 23 2.784 7.540 -1.718 156 1HH2 ARG 23 1HH2 ARG 23 6.103 8.772 -1.273 157 2HH2 ARG 23 2HH2 ARG 23 4.430 9.175 -1.005 158 H CYS 24 H CYS 24 3.678 2.482 -1.001 159 HA CYS 24 HA CYS 24 2.842 1.047 -3.439 160 1HB CYS 24 1HB CYS 24 1.313 1.565 -0.848 161 2HB CYS 24 2HB CYS 24 0.714 0.610 -2.254 162 H VAL 25 H VAL 25 0.776 1.906 -4.306 163 HA VAL 25 HA VAL 25 0.410 4.794 -4.421 164 HB VAL 25 HB VAL 25 1.135 4.721 -6.854 165 1HG1 VAL 25 1HG1 VAL 25 3.509 4.825 -6.654 166 2HG1 VAL 25 2HG1 VAL 25 3.542 3.792 -5.196 167 3HG1 VAL 25 3HG1 VAL 25 2.838 5.460 -5.100 168 1HG2 VAL 25 1HG2 VAL 25 2.594 2.744 -7.593 169 2HG2 VAL 25 2HG2 VAL 25 0.883 2.293 -7.362 170 3HG2 VAL 25 3HG2 VAL 25 2.087 1.880 -6.088 171 H ASP 26 H ASP 26 -1.318 2.550 -3.836 172 HA ASP 26 HA ASP 26 -3.336 3.493 -5.516 173 1HB ASP 26 1HB ASP 26 -2.525 1.550 -6.837 174 2HB ASP 26 2HB ASP 26 -2.908 0.453 -5.446 175 HD2 ASP 26 HD2 ASP 26 -3.740 -0.060 -7.663 176 H VAL 27 H VAL 27 -5.148 3.594 -4.428 177 HA VAL 27 HA VAL 27 -5.014 3.513 -1.612 178 HB VAL 27 HB VAL 27 -5.905 5.279 -3.080 179 1HG1 VAL 27 1HG1 VAL 27 -8.365 3.445 -3.396 180 2HG1 VAL 27 2HG1 VAL 27 -7.147 3.664 -4.704 181 3HG1 VAL 27 3HG1 VAL 27 -8.081 5.077 -4.116 182 1HG2 VAL 27 1HG2 VAL 27 -8.069 4.191 -1.174 183 2HG2 VAL 27 2HG2 VAL 27 -7.722 5.902 -1.645 184 3HG2 VAL 27 3HG2 VAL 27 -6.546 5.014 -0.619 185 H ARG 28 H ARG 28 -6.197 2.454 -0.073 186 HA ARG 28 HA ARG 28 -7.962 0.322 -0.941 187 1HB ARG 28 1HB ARG 28 -5.366 -0.048 0.040 188 2HB ARG 28 2HB ARG 28 -6.317 -0.144 1.542 189 1HG ARG 28 1HG ARG 28 -5.916 -2.376 0.605 190 2HG ARG 28 2HG ARG 28 -7.676 -2.042 0.510 191 1HD ARG 28 1HD ARG 28 -7.389 -1.408 -1.944 192 2HD ARG 28 2HD ARG 28 -5.642 -1.789 -1.808 193 HE ARG 28 HE ARG 28 -7.983 -3.692 -1.752 194 1HH1 ARG 28 1HH1 ARG 28 -4.452 -3.308 -1.463 195 2HH1 ARG 28 2HH1 ARG 28 -4.108 -4.979 -1.787 196 1HH2 ARG 28 1HH2 ARG 28 -7.533 -5.905 -2.094 197 2HH2 ARG 28 2HH2 ARG 28 -5.902 -6.494 -2.112 198 H GLU 29 H GLU 29 -9.219 -0.377 1.069 199 HA GLU 29 HA GLU 29 -10.753 1.664 2.098 200 1HB GLU 29 1HB GLU 29 -10.242 -1.237 2.859 201 2HB GLU 29 2HB GLU 29 -11.560 -0.271 3.591 202 1HG GLU 29 1HG GLU 29 -11.765 0.066 0.671 203 2HG GLU 29 2HG GLU 29 -11.522 -1.688 0.988 204 HE2 GLU 29 HE2 GLU 29 -13.337 1.081 1.842 205 H SER 30 H SER 30 -7.812 0.415 3.318 206 HA SER 30 HA SER 30 -7.860 2.177 5.644 207 1HB SER 30 1HB SER 30 -7.608 -0.900 5.969 208 2HB SER 30 2HB SER 30 -7.400 0.299 7.288 209 HG SER 30 HG SER 30 -9.436 -0.472 7.470 210 H CYS 31 H CYS 31 -5.800 1.991 6.928 211 HA CYS 31 HA CYS 31 -3.502 1.299 5.235 212 1HB CYS 31 1HB CYS 31 -3.932 2.834 7.836 213 2HB CYS 31 2HB CYS 31 -2.260 2.414 7.318 214 H HIS 32 H HIS 32 -1.705 0.687 7.549 215 HA HIS 32 HA HIS 32 -2.669 -1.580 8.891 216 1HB HIS 32 1HB HIS 32 -2.274 -2.598 6.637 217 2HB HIS 32 2HB HIS 32 -0.563 -1.944 6.662 218 HD1 HIS 32 HD1 HIS 32 -2.874 -4.018 8.825 219 HD2 HIS 32 HD2 HIS 32 1.047 -4.258 7.337 220 HE1 HIS 32 HE1 HIS 32 -1.956 -6.206 9.549 221 HE2 HIS 32 HE2 HIS 32 0.436 -6.343 8.629 222 H SER 33 H SER 33 -0.765 -2.308 10.292 223 HA SER 33 HA SER 33 0.634 -0.216 11.349 224 1HB SER 33 1HB SER 33 1.438 -3.195 11.449 225 2HB SER 33 2HB SER 33 2.041 -1.933 12.588 226 HG SER 33 HG SER 33 0.323 -2.985 13.507 227 H ALA 34 H ALA 34 1.537 -1.917 8.530 228 HA ALA 34 HA ALA 34 4.280 -1.175 8.413 229 1HB ALA 34 1HB ALA 34 4.138 -2.101 6.105 230 2HB ALA 34 2HB ALA 34 2.341 -2.154 6.216 231 3HB ALA 34 3HB ALA 34 3.369 -3.218 7.272 232 H CYS 35 H CYS 35 2.871 1.046 9.074 233 HA CYS 35 HA CYS 35 3.507 2.817 6.839 234 1HB CYS 35 1HB CYS 35 1.022 2.079 6.817 235 2HB CYS 35 2HB CYS 35 0.842 2.959 8.395 236 H ASP 36 H ASP 36 3.788 5.101 7.449 237 HA ASP 36 HA ASP 36 3.897 5.557 10.372 238 1HB ASP 36 1HB ASP 36 5.538 7.188 8.361 239 2HB ASP 36 2HB ASP 36 5.576 7.245 10.161 240 HD2 ASP 36 HD2 ASP 36 7.621 6.591 8.124 241 H LYS 37 H LYS 37 3.571 7.806 7.396 242 HA LYS 37 HA LYS 37 1.279 8.887 8.743 243 1HB LYS 37 1HB LYS 37 3.083 10.354 7.630 244 2HB LYS 37 2HB LYS 37 2.496 9.746 6.073 245 1HG LYS 37 1HG LYS 37 1.392 11.842 6.419 246 2HG LYS 37 2HG LYS 37 0.156 10.583 6.699 247 1HD LYS 37 1HD LYS 37 0.589 10.820 9.222 248 2HD LYS 37 2HD LYS 37 1.763 12.123 8.857 249 1HE LYS 37 1HE LYS 37 -0.402 13.060 9.582 250 2HE LYS 37 2HE LYS 37 -0.126 13.484 7.841 251 1HZ LYS 37 1HZ LYS 37 -1.797 11.244 8.862 252 2HZ LYS 37 2HZ LYS 37 -1.583 11.673 7.234 253 3HZ LYS 37 3HZ LYS 37 -2.363 12.744 8.299 254 H CYS 38 H CYS 38 -0.588 7.784 8.500 255 HA CYS 38 HA CYS 38 -1.383 6.757 5.897 256 1HB CYS 38 1HB CYS 38 -1.715 5.544 8.101 257 2HB CYS 38 2HB CYS 38 -2.705 6.942 8.657 258 H VAL 39 H VAL 39 -2.493 8.039 4.428 259 HA VAL 39 HA VAL 39 -3.840 10.461 5.425 260 HB VAL 39 HB VAL 39 -2.570 9.495 2.839 261 1HG1 VAL 39 1HG1 VAL 39 -4.685 10.584 2.162 262 2HG1 VAL 39 2HG1 VAL 39 -3.281 11.658 1.819 263 3HG1 VAL 39 3HG1 VAL 39 -4.320 11.989 3.259 264 1HG2 VAL 39 1HG2 VAL 39 -2.165 11.947 4.685 265 2HG2 VAL 39 2HG2 VAL 39 -1.280 11.664 3.142 266 3HG2 VAL 39 3HG2 VAL 39 -1.053 10.527 4.533 267 H CYS 40 H CYS 40 -6.186 10.551 5.039 268 HA CYS 40 HA CYS 40 -7.352 8.309 3.585 269 1HB CYS 40 1HB CYS 40 -7.890 9.071 6.469 270 2HB CYS 40 2HB CYS 40 -8.938 7.990 5.529 271 H ALA 41 H ALA 41 -8.494 9.263 2.146 272 HA ALA 41 HA ALA 41 -9.923 11.713 2.634 273 1HB ALA 41 1HB ALA 41 -9.040 11.243 0.401 274 2HB ALA 41 2HB ALA 41 -10.805 11.561 0.416 275 3HB ALA 41 3HB ALA 41 -10.189 9.869 0.230 276 H TYR 42 H TYR 42 -11.948 12.088 3.073 277 HA TYR 42 HA TYR 42 -13.468 10.078 4.364 278 1HB TYR 42 1HB TYR 42 -14.841 12.103 5.075 279 2HB TYR 42 2HB TYR 42 -13.067 12.215 5.407 280 HD1 TYR 42 HD1 TYR 42 -11.651 13.880 4.246 281 HD2 TYR 42 HD2 TYR 42 -15.799 13.401 3.137 282 HE1 TYR 42 HE1 TYR 42 -11.523 15.889 2.845 283 HE2 TYR 42 HE2 TYR 42 -15.652 15.402 1.746 284 HH TYR 42 HH TYR 42 -14.421 17.233 1.263 285 H SER 43 H SER 43 -13.213 10.112 1.476 286 HA SER 43 HA SER 43 -15.641 10.516 0.125 287 1HB SER 43 1HB SER 43 -13.424 8.534 -0.554 288 2HB SER 43 2HB SER 43 -14.669 9.200 -1.704 289 HG SER 43 HG SER 43 -12.881 10.356 -2.000 290 H ASN 44 H ASN 44 -16.227 8.229 -1.269 291 HA ASN 44 HA ASN 44 -17.294 6.334 0.644 292 1HB ASN 44 1HB ASN 44 -18.812 8.302 0.397 293 2HB ASN 44 2HB ASN 44 -18.795 8.121 -1.365 294 1HD2 ASN 44 1HD2 ASN 44 -19.965 6.076 -2.244 295 2HD2 ASN 44 2HD2 ASN 44 -20.957 5.126 -1.199 296 HA PRO 45 HA PRO 45 -17.076 4.253 0.719 297 1HB PRO 45 1HB PRO 45 -15.352 2.120 0.332 298 2HB PRO 45 2HB PRO 45 -16.982 2.109 -0.345 299 1HG PRO 45 1HG PRO 45 -14.427 3.043 -1.786 300 2HG PRO 45 2HG PRO 45 -15.568 1.763 -2.342 301 1HD PRO 45 1HD PRO 45 -15.823 4.363 -3.211 302 2HD PRO 45 2HD PRO 45 -17.318 3.411 -2.770 303 HA PRO 46 HA PRO 46 -13.729 6.455 2.291 304 1HB PRO 46 1HB PRO 46 -12.776 5.177 4.536 305 2HB PRO 46 2HB PRO 46 -14.464 5.810 4.448 306 1HG PRO 46 1HG PRO 46 -13.551 2.946 3.839 307 2HG PRO 46 2HG PRO 46 -14.838 3.503 4.998 308 1HD PRO 46 1HD PRO 46 -15.448 2.696 2.436 309 2HD PRO 46 2HD PRO 46 -16.294 4.193 3.192 310 H GLN 47 H GLN 47 -11.431 6.839 2.310 311 HA GLN 47 HA GLN 47 -9.965 4.817 0.742 312 1HB GLN 47 1HB GLN 47 -9.974 7.885 0.793 313 2HB GLN 47 2HB GLN 47 -8.968 6.908 -0.322 314 1HG GLN 47 1HG GLN 47 -12.086 6.912 -0.329 315 2HG GLN 47 2HG GLN 47 -11.082 8.030 -1.297 316 1HE2 GLN 47 1HE2 GLN 47 -9.444 6.991 -2.764 317 2HE2 GLN 47 2HE2 GLN 47 -10.021 5.636 -3.692 318 H CYS 48 H CYS 48 -7.829 4.445 1.411 319 HA CYS 48 HA CYS 48 -6.518 6.476 3.011 320 1HB CYS 48 1HB CYS 48 -7.018 3.594 3.848 321 2HB CYS 48 2HB CYS 48 -5.709 4.591 4.590 322 H GLN 49 H GLN 49 -4.431 6.586 2.673 323 HA GLN 49 HA GLN 49 -3.099 4.526 1.072 324 1HB GLN 49 1HB GLN 49 -2.953 7.605 0.911 325 2HB GLN 49 2HB GLN 49 -1.948 6.471 -0.074 326 1HG GLN 49 1HG GLN 49 -3.555 6.745 -1.686 327 2HG GLN 49 2HG GLN 49 -4.515 5.594 -0.702 328 1HE2 GLN 49 1HE2 GLN 49 -3.908 9.072 -1.360 329 2HE2 GLN 49 2HE2 GLN 49 -5.550 9.552 -1.016 330 H CYS 50 H CYS 50 -1.123 3.974 1.830 331 HA CYS 50 HA CYS 50 -0.044 5.524 4.091 332 1HB CYS 50 1HB CYS 50 0.145 2.953 4.096 333 2HB CYS 50 2HB CYS 50 1.290 3.125 2.726 334 H TYR 51 H TYR 51 0.800 7.358 3.544 335 HA TYR 51 HA TYR 51 2.127 8.019 1.151 336 1HB TYR 51 1HB TYR 51 1.654 9.317 3.844 337 2HB TYR 51 2HB TYR 51 3.184 9.797 3.058 338 HD1 TYR 51 HD1 TYR 51 2.943 11.782 1.702 339 HD2 TYR 51 HD2 TYR 51 -0.388 9.010 1.870 340 HE1 TYR 51 HE1 TYR 51 1.808 13.025 -0.001 341 HE2 TYR 51 HE2 TYR 51 -1.501 10.275 0.169 342 HH TYR 51 HH TYR 51 -1.265 11.908 -1.442 343 H ASP 52 H ASP 52 3.436 6.922 4.223 344 HA ASP 52 HA ASP 52 6.088 7.426 3.328 345 1HB ASP 52 1HB ASP 52 5.112 5.780 5.726 346 2HB ASP 52 2HB ASP 52 6.842 6.106 5.398 347 HD2 ASP 52 HD2 ASP 52 6.656 9.083 7.007 348 H THR 53 H THR 53 7.847 6.246 3.052 349 HA THR 53 HA THR 53 7.588 3.789 1.623 350 HB THR 53 HB THR 53 10.097 3.839 1.516 351 HG1 THR 53 HG1 THR 53 11.162 5.546 2.344 352 1HG2 THR 53 1HG2 THR 53 8.554 6.401 0.694 353 2HG2 THR 53 2HG2 THR 53 8.818 4.914 -0.283 354 3HG2 THR 53 3HG2 THR 53 10.202 5.971 0.117 355 H HIS 54 H HIS 54 8.578 1.774 2.131 356 HA HIS 54 HA HIS 54 9.980 1.541 4.564 357 1HB HIS 54 1HB HIS 54 7.309 0.011 4.351 358 2HB HIS 54 2HB HIS 54 8.688 -0.563 5.377 359 HD1 HIS 54 HD1 HIS 54 5.705 0.695 5.905 360 HD2 HIS 54 HD2 HIS 54 9.473 2.024 7.168 361 HE1 HIS 54 HE1 HIS 54 5.353 2.009 8.001 362 HE2 HIS 54 HE2 HIS 54 7.650 2.810 8.755 363 H LYS 55 H LYS 55 8.808 -1.559 3.271 364 HA LYS 55 HA LYS 55 11.097 -1.554 1.484 365 1HB LYS 55 1HB LYS 55 11.801 -3.727 2.646 366 2HB LYS 55 2HB LYS 55 12.081 -2.203 3.542 367 1HG LYS 55 1HG LYS 55 10.114 -2.568 4.979 368 2HG LYS 55 2HG LYS 55 9.681 -4.051 4.075 369 1HD LYS 55 1HD LYS 55 11.957 -5.014 4.754 370 2HD LYS 55 2HD LYS 55 12.149 -3.585 5.835 371 1HE LYS 55 1HE LYS 55 9.973 -4.219 6.994 372 2HE LYS 55 2HE LYS 55 9.854 -5.666 5.911 373 1HZ LYS 55 1HZ LYS 55 10.816 -6.302 7.960 374 2HZ LYS 55 2HZ LYS 55 11.981 -5.064 7.903 375 3HZ LYS 55 3HZ LYS 55 12.046 -6.348 6.788 376 H PHE 56 H PHE 56 9.496 -4.502 2.550 377 HA PHE 56 HA PHE 56 9.391 -5.094 -0.240 378 1HB PHE 56 1HB PHE 56 10.169 -6.725 1.499 379 2HB PHE 56 2HB PHE 56 8.462 -6.878 2.075 380 HD1 PHE 56 HD1 PHE 56 7.299 -8.710 1.162 381 HD2 PHE 56 HD2 PHE 56 10.463 -6.935 -1.155 382 HE1 PHE 56 HE1 PHE 56 6.959 -10.397 -0.593 383 HE2 PHE 56 HE2 PHE 56 10.129 -8.620 -2.907 384 HZ PHE 56 HZ PHE 56 8.371 -10.366 -2.649 385 H CYS 57 H CYS 57 7.711 -5.496 -1.620 386 HA CYS 57 HA CYS 57 5.159 -4.322 -0.858 387 1HB CYS 57 1HB CYS 57 6.127 -3.613 -2.987 388 2HB CYS 57 2HB CYS 57 6.167 -5.308 -3.568 389 H TYR 58 H TYR 58 3.546 -5.471 -0.059 390 HA TYR 58 HA TYR 58 3.246 -8.306 -0.684 391 1HB TYR 58 1HB TYR 58 2.736 -7.089 1.540 392 2HB TYR 58 2HB TYR 58 1.196 -6.584 0.749 393 HD1 TYR 58 HD1 TYR 58 0.007 -8.744 -0.542 394 HD2 TYR 58 HD2 TYR 58 2.587 -8.976 2.884 395 HE1 TYR 58 HE1 TYR 58 -1.076 -10.812 0.113 396 HE2 TYR 58 HE2 TYR 58 1.542 -11.020 3.540 397 HH TYR 58 HH TYR 58 -1.227 -12.449 1.643 398 H LYS 59 H LYS 59 2.289 -8.947 -2.326 399 HA LYS 59 HA LYS 59 1.206 -7.557 -4.445 400 1HB LYS 59 1HB LYS 59 0.784 -10.432 -3.506 401 2HB LYS 59 2HB LYS 59 0.237 -9.847 -5.108 402 1HG LYS 59 1HG LYS 59 2.547 -9.340 -5.802 403 2HG LYS 59 2HG LYS 59 3.193 -9.761 -4.193 404 1HD LYS 59 1HD LYS 59 2.314 -12.109 -4.456 405 2HD LYS 59 2HD LYS 59 1.799 -11.701 -6.131 406 1HE LYS 59 1HE LYS 59 4.178 -11.193 -6.754 407 2HE LYS 59 2HE LYS 59 4.695 -11.506 -5.044 408 1HZ LYS 59 1HZ LYS 59 3.425 -13.478 -6.876 409 2HZ LYS 59 2HZ LYS 59 3.917 -13.758 -5.273 410 3HZ LYS 59 3HZ LYS 59 5.071 -13.391 -6.462 411 H ALA 60 H ALA 60 -0.966 -7.782 -5.472 412 HA ALA 60 HA ALA 60 -2.970 -6.824 -3.753 413 1HB ALA 60 1HB ALA 60 -4.390 -6.926 -5.781 414 2HB ALA 60 2HB ALA 60 -3.158 -7.996 -6.572 415 3HB ALA 60 3HB ALA 60 -2.738 -6.296 -6.182 416 H CYS 61 H CYS 61 -3.981 -7.844 -2.306 417 HA CYS 61 HA CYS 61 -3.668 -10.653 -2.136 418 1HB CYS 61 1HB CYS 61 -3.890 -10.355 0.227 419 2HB CYS 61 2HB CYS 61 -2.994 -8.955 -0.419 420 H HIS 62 H HIS 62 -5.842 -9.950 -3.925 421 HA HIS 62 HA HIS 62 -8.311 -10.518 -2.502 422 1HB HIS 62 1HB HIS 62 -7.899 -10.795 -5.522 423 2HB HIS 62 2HB HIS 62 -9.439 -10.723 -4.646 424 HD1 HIS 62 HD1 HIS 62 -10.169 -8.753 -6.011 425 HD2 HIS 62 HD2 HIS 62 -6.664 -7.933 -3.860 426 HE1 HIS 62 HE1 HIS 62 -9.765 -6.275 -6.165 427 HE2 HIS 62 HE2 HIS 62 -7.621 -5.813 -4.887 428 H ASN 63 H ASN 63 -5.970 -12.401 -4.342 429 HA ASN 63 HA ASN 63 -7.109 -14.943 -4.115 430 1HB ASN 63 1HB ASN 63 -4.443 -15.441 -4.418 431 2HB ASN 63 2HB ASN 63 -5.478 -14.914 -5.756 432 1HD2 ASN 63 1HD2 ASN 63 -4.920 -12.871 -6.824 433 2HD2 ASN 63 2HD2 ASN 63 -3.920 -11.691 -6.079 434 H SER 64 H SER 64 -4.263 -13.660 -2.569 435 HA SER 64 HA SER 64 -4.665 -15.530 -0.304 436 1HB SER 64 1HB SER 64 -2.759 -15.749 -2.038 437 2HB SER 64 2HB SER 64 -2.039 -14.294 -1.296 438 HG SER 64 HG SER 64 -2.625 -16.837 -0.088 439 H GLU 65 H GLU 65 -6.078 -13.523 0.478 440 HA GLU 65 HA GLU 65 -4.787 -11.509 1.847 441 1HB GLU 65 1HB GLU 65 -6.689 -10.898 2.901 442 2HB GLU 65 2HB GLU 65 -7.239 -11.571 1.349 443 1HG GLU 65 1HG GLU 65 -8.092 -13.640 2.493 444 2HG GLU 65 2HG GLU 65 -7.295 -13.157 4.032 445 HE2 GLU 65 HE2 GLU 65 -10.680 -11.344 2.884 446 H ILE 66 H ILE 66 -4.801 -14.736 2.672 447 HA ILE 66 HA ILE 66 -2.833 -14.242 4.624 448 HB ILE 66 HB ILE 66 -4.520 -13.873 6.154 449 1HG1 ILE 66 1HG1 ILE 66 -3.453 -16.737 6.555 450 2HG1 ILE 66 2HG1 ILE 66 -2.484 -15.234 6.744 451 1HG2 ILE 66 1HG2 ILE 66 -6.431 -15.010 4.933 452 2HG2 ILE 66 2HG2 ILE 66 -6.370 -15.265 6.700 453 3HG2 ILE 66 3HG2 ILE 66 -5.859 -16.591 5.621 454 1HD1 ILE 66 1HD1 ILE 66 -4.984 -16.007 8.411 455 2HD1 ILE 66 2HD1 ILE 66 -4.032 -14.486 8.607 456 3HD1 ILE 66 3HD1 ILE 66 -3.274 -16.075 8.968 457 H GLU 67 H GLU 67 -5.019 -17.126 3.794 458 HA GLU 67 HA GLU 67 -2.828 -18.271 2.428 459 1HB GLU 67 1HB GLU 67 -2.757 -20.341 3.817 460 2HB GLU 67 2HB GLU 67 -2.209 -18.905 4.752 461 1HG GLU 67 1HG GLU 67 -4.643 -18.745 5.688 462 2HG GLU 67 2HG GLU 67 -4.938 -20.359 4.950 463 HE2 GLU 67 HE2 GLU 67 -3.544 -20.292 8.481 Start of MODEL 14 1 1H GLY 1 1H GLY 1 3.788 -20.137 10.051 2 2H GLY 1 2H GLY 1 3.150 -20.783 8.616 3 3H GLY 1 3H GLY 1 2.256 -20.876 10.058 4 1HA GLY 1 1HA GLY 1 3.005 -18.424 8.618 5 2HA GLY 1 2HA GLY 1 1.376 -19.206 8.640 6 H ASP 2 H ASP 2 3.089 -16.651 9.870 7 HA ASP 2 HA ASP 2 1.244 -16.250 12.115 8 1HB ASP 2 1HB ASP 2 4.335 -16.257 12.490 9 2HB ASP 2 2HB ASP 2 3.122 -15.783 13.727 10 HD2 ASP 2 HD2 ASP 2 4.070 -19.582 13.105 11 H ASP 3 H ASP 3 0.501 -14.352 11.195 12 HA ASP 3 HA ASP 3 0.388 -12.329 10.438 13 1HB ASP 3 1HB ASP 3 3.277 -11.786 11.219 14 2HB ASP 3 2HB ASP 3 2.025 -10.576 10.772 15 HD2 ASP 3 HD2 ASP 3 2.301 -11.543 14.477 16 H VAL 4 H VAL 4 0.047 -13.397 8.547 17 HA VAL 4 HA VAL 4 2.168 -13.228 6.502 18 HB VAL 4 HB VAL 4 0.844 -14.898 5.247 19 1HG1 VAL 4 1HG1 VAL 4 1.565 -16.822 6.642 20 2HG1 VAL 4 2HG1 VAL 4 1.726 -15.756 8.084 21 3HG1 VAL 4 3HG1 VAL 4 2.812 -15.529 6.668 22 1HG2 VAL 4 1HG2 VAL 4 -0.807 -15.238 7.827 23 2HG2 VAL 4 2HG2 VAL 4 -0.904 -16.188 6.309 24 3HG2 VAL 4 3HG2 VAL 4 -1.407 -14.471 6.301 25 H LYS 5 H LYS 5 -1.020 -11.940 7.233 26 HA LYS 5 HA LYS 5 -1.086 -10.667 4.590 27 1HB LYS 5 1HB LYS 5 -3.184 -11.234 6.748 28 2HB LYS 5 2HB LYS 5 -3.543 -10.193 5.340 29 1HG LYS 5 1HG LYS 5 -2.487 -12.993 4.780 30 2HG LYS 5 2HG LYS 5 -4.137 -12.824 5.454 31 1HD LYS 5 1HD LYS 5 -4.384 -12.906 3.064 32 2HD LYS 5 2HD LYS 5 -4.779 -11.253 3.642 33 1HE LYS 5 1HE LYS 5 -2.393 -10.538 2.877 34 2HE LYS 5 2HE LYS 5 -2.251 -12.176 2.117 35 1HZ LYS 5 1HZ LYS 5 -3.020 -10.550 0.564 36 2HZ LYS 5 2HZ LYS 5 -4.299 -10.092 1.584 37 3HZ LYS 5 3HZ LYS 5 -4.288 -11.636 0.882 38 H SER 6 H SER 6 0.717 -10.004 6.646 39 HA SER 6 HA SER 6 0.026 -7.958 8.323 40 1HB SER 6 1HB SER 6 2.712 -8.272 6.839 41 2HB SER 6 2HB SER 6 2.451 -7.305 8.343 42 HG SER 6 HG SER 6 3.258 -9.355 8.805 43 H ALA 7 H ALA 7 0.823 -7.688 4.934 44 HA ALA 7 HA ALA 7 -0.110 -4.933 4.861 45 1HB ALA 7 1HB ALA 7 2.406 -4.821 4.961 46 2HB ALA 7 2HB ALA 7 1.880 -4.447 3.287 47 3HB ALA 7 3HB ALA 7 2.519 -6.099 3.686 48 H CYS 8 H CYS 8 -0.707 -4.397 2.563 49 HA CYS 8 HA CYS 8 -0.663 -6.656 0.747 50 1HB CYS 8 1HB CYS 8 -2.905 -6.812 0.146 51 2HB CYS 8 2HB CYS 8 -2.855 -6.963 1.926 52 H CYS 9 H CYS 9 -0.634 -6.131 -1.469 53 HA CYS 9 HA CYS 9 -0.580 -3.242 -2.069 54 1HB CYS 9 1HB CYS 9 1.543 -4.198 -0.876 55 2HB CYS 9 2HB CYS 9 1.827 -5.144 -2.348 56 H ASP 10 H ASP 10 -2.273 -3.751 -3.733 57 HA ASP 10 HA ASP 10 -1.818 -5.864 -5.537 58 1HB ASP 10 1HB ASP 10 -3.650 -3.412 -5.671 59 2HB ASP 10 2HB ASP 10 -3.764 -4.734 -6.824 60 HD2 ASP 10 HD2 ASP 10 -3.959 -6.811 -5.980 61 H THR 11 H THR 11 -0.803 -2.537 -5.762 62 HA THR 11 HA THR 11 0.624 -3.051 -8.258 63 HB THR 11 HB THR 11 -1.506 -0.838 -7.961 64 HG1 THR 11 HG1 THR 11 -2.700 -2.439 -8.721 65 1HG2 THR 11 1HG2 THR 11 0.352 -1.578 -10.338 66 2HG2 THR 11 2HG2 THR 11 0.485 -0.081 -9.344 67 3HG2 THR 11 3HG2 THR 11 -0.956 -0.346 -10.373 68 H CYS 12 H CYS 12 2.491 -1.867 -8.241 69 HA CYS 12 HA CYS 12 2.884 0.167 -6.191 70 1HB CYS 12 1HB CYS 12 4.464 -1.327 -5.018 71 2HB CYS 12 2HB CYS 12 2.828 -2.095 -5.193 72 H LEU 13 H LEU 13 5.109 0.756 -5.918 73 HA LEU 13 HA LEU 13 6.715 0.683 -8.378 74 1HB LEU 13 1HB LEU 13 4.900 2.382 -8.554 75 2HB LEU 13 2HB LEU 13 5.436 3.160 -7.041 76 HG LEU 13 HG LEU 13 7.175 2.869 -9.593 77 1HD1 LEU 13 1HD1 LEU 13 5.038 4.075 -10.091 78 2HD1 LEU 13 2HD1 LEU 13 6.455 5.189 -10.172 79 3HD1 LEU 13 3HD1 LEU 13 5.364 5.217 -8.738 80 1HD2 LEU 13 1HD2 LEU 13 7.389 4.786 -7.178 81 2HD2 LEU 13 2HD2 LEU 13 8.367 4.915 -8.691 82 3HD2 LEU 13 3HD2 LEU 13 8.560 3.487 -7.620 83 H CYS 14 H CYS 14 8.513 -0.047 -7.561 84 HA CYS 14 HA CYS 14 9.637 1.180 -5.167 85 1HB CYS 14 1HB CYS 14 10.617 -1.219 -6.761 86 2HB CYS 14 2HB CYS 14 11.456 -0.514 -5.373 87 H THR 15 H THR 15 11.413 2.459 -5.160 88 HA THR 15 HA THR 15 12.255 3.544 -7.687 89 HB THR 15 HB THR 15 14.015 4.730 -6.462 90 HG1 THR 15 HG1 THR 15 14.217 2.997 -4.892 91 1HG2 THR 15 1HG2 THR 15 11.661 5.607 -6.658 92 2HG2 THR 15 2HG2 THR 15 12.462 6.123 -5.123 93 3HG2 THR 15 3HG2 THR 15 11.226 4.819 -5.101 94 H ARG 16 H ARG 16 14.136 3.291 -8.860 95 HA ARG 16 HA ARG 16 15.969 1.168 -8.155 96 1HB ARG 16 1HB ARG 16 15.854 3.207 -10.427 97 2HB ARG 16 2HB ARG 16 17.292 2.149 -10.151 98 1HG ARG 16 1HG ARG 16 16.006 0.147 -10.299 99 2HG ARG 16 2HG ARG 16 14.459 1.027 -10.548 100 1HD ARG 16 1HD ARG 16 15.109 1.772 -12.769 101 2HD ARG 16 2HD ARG 16 16.846 1.365 -12.485 102 HE ARG 16 HE ARG 16 14.575 -0.635 -12.735 103 1HH1 ARG 16 1HH1 ARG 16 18.084 0.075 -12.892 104 2HH1 ARG 16 2HH1 ARG 16 18.527 -1.587 -13.084 105 1HH2 ARG 16 1HH2 ARG 16 15.222 -2.850 -12.940 106 2HH2 ARG 16 2HH2 ARG 16 16.896 -3.256 -13.110 107 H SER 17 H SER 17 17.505 1.499 -6.623 108 HA SER 17 HA SER 17 18.994 3.852 -6.212 109 1HB SER 17 1HB SER 17 16.514 4.477 -5.415 110 2HB SER 17 2HB SER 17 16.858 3.381 -4.047 111 HG SER 17 HG SER 17 17.367 5.467 -3.510 112 H GLN 18 H GLN 18 19.575 3.590 -3.574 113 HA GLN 18 HA GLN 18 19.934 0.797 -2.854 114 1HB GLN 18 1HB GLN 18 22.372 2.640 -3.220 115 2HB GLN 18 2HB GLN 18 22.356 0.957 -2.594 116 1HG GLN 18 1HG GLN 18 23.152 0.529 -4.699 117 2HG GLN 18 2HG GLN 18 21.407 0.340 -5.030 118 1HE2 GLN 18 1HE2 GLN 18 21.186 1.212 -7.131 119 2HE2 GLN 18 2HE2 GLN 18 21.654 2.855 -7.546 120 HA PRO 19 HA PRO 19 18.921 0.105 -1.106 121 1HB PRO 19 1HB PRO 19 17.202 0.429 1.043 122 2HB PRO 19 2HB PRO 19 18.970 0.029 1.296 123 1HG PRO 19 1HG PRO 19 17.673 2.826 1.304 124 2HG PRO 19 2HG PRO 19 18.661 2.074 2.624 125 1HD PRO 19 1HD PRO 19 19.809 3.704 0.734 126 2HD PRO 19 2HD PRO 19 20.678 2.205 1.305 127 HA PRO 20 HA PRO 20 15.484 2.037 -3.201 128 1HB PRO 20 1HB PRO 20 13.470 0.144 -3.162 129 2HB PRO 20 2HB PRO 20 15.045 -0.173 -3.994 130 1HG PRO 20 1HG PRO 20 14.264 -0.945 -1.126 131 2HG PRO 20 2HG PRO 20 14.852 -2.042 -2.448 132 1HD PRO 20 1HD PRO 20 16.556 -0.947 -0.568 133 2HD PRO 20 2HD PRO 20 17.088 -1.138 -2.311 134 H THR 21 H THR 21 13.036 2.385 -2.980 135 HA THR 21 HA THR 21 12.033 2.951 -0.314 136 HB THR 21 HB THR 21 12.198 5.080 -2.549 137 HG1 THR 21 HG1 THR 21 14.296 4.809 -1.854 138 1HG2 THR 21 1HG2 THR 21 11.498 6.584 -0.722 139 2HG2 THR 21 2HG2 THR 21 11.839 5.331 0.529 140 3HG2 THR 21 3HG2 THR 21 10.460 5.122 -0.592 141 H CYS 22 H CYS 22 9.856 2.313 -0.538 142 HA CYS 22 HA CYS 22 8.775 2.252 -3.292 143 1HB CYS 22 1HB CYS 22 10.241 0.217 -2.777 144 2HB CYS 22 2HB CYS 22 9.141 -0.206 -1.462 145 H ARG 23 H ARG 23 6.595 1.462 -3.397 146 HA ARG 23 HA ARG 23 4.935 1.703 -1.059 147 1HB ARG 23 1HB ARG 23 5.917 4.129 -2.078 148 2HB ARG 23 2HB ARG 23 4.382 3.978 -2.957 149 1HG ARG 23 1HG ARG 23 3.209 3.750 -0.680 150 2HG ARG 23 2HG ARG 23 4.789 3.999 0.107 151 1HD ARG 23 1HD ARG 23 3.554 6.168 0.048 152 2HD ARG 23 2HD ARG 23 4.953 6.269 -1.073 153 HE ARG 23 HE ARG 23 3.547 6.282 -2.908 154 1HH1 ARG 23 1HH1 ARG 23 1.506 5.470 -0.045 155 2HH1 ARG 23 2HH1 ARG 23 0.052 5.455 -0.966 156 1HH2 ARG 23 1HH2 ARG 23 1.652 6.215 -4.060 157 2HH2 ARG 23 2HH2 ARG 23 0.119 5.858 -3.321 158 H CYS 24 H CYS 24 2.793 1.390 -1.441 159 HA CYS 24 HA CYS 24 2.028 0.112 -3.905 160 1HB CYS 24 1HB CYS 24 0.495 0.579 -1.268 161 2HB CYS 24 2HB CYS 24 0.058 -0.594 -2.539 162 H VAL 25 H VAL 25 1.230 1.407 -5.558 163 HA VAL 25 HA VAL 25 0.392 4.043 -5.080 164 HB VAL 25 HB VAL 25 0.126 4.311 -7.419 165 1HG1 VAL 25 1HG1 VAL 25 2.454 4.282 -6.399 166 2HG1 VAL 25 2HG1 VAL 25 2.446 3.755 -8.115 167 3HG1 VAL 25 3HG1 VAL 25 2.610 2.538 -6.809 168 1HG2 VAL 25 1HG2 VAL 25 0.454 2.369 -8.994 169 2HG2 VAL 25 2HG2 VAL 25 -1.014 2.141 -7.989 170 3HG2 VAL 25 3HG2 VAL 25 0.504 1.248 -7.593 171 H ASP 26 H ASP 26 -1.254 1.086 -4.956 172 HA ASP 26 HA ASP 26 -3.798 2.139 -5.744 173 1HB ASP 26 1HB ASP 26 -4.737 -0.046 -5.318 174 2HB ASP 26 2HB ASP 26 -3.214 -0.206 -6.260 175 HD2 ASP 26 HD2 ASP 26 -1.612 -1.361 -3.238 176 H VAL 27 H VAL 27 -5.467 2.869 -4.583 177 HA VAL 27 HA VAL 27 -5.186 3.272 -1.712 178 HB VAL 27 HB VAL 27 -6.550 4.415 -4.014 179 1HG1 VAL 27 1HG1 VAL 27 -8.576 3.225 -3.268 180 2HG1 VAL 27 2HG1 VAL 27 -8.693 4.992 -3.075 181 3HG1 VAL 27 3HG1 VAL 27 -8.418 3.969 -1.616 182 1HG2 VAL 27 1HG2 VAL 27 -6.212 5.353 -1.092 183 2HG2 VAL 27 2HG2 VAL 27 -6.721 6.381 -2.483 184 3HG2 VAL 27 3HG2 VAL 27 -5.076 5.659 -2.470 185 H ARG 28 H ARG 28 -6.366 2.278 -0.073 186 HA ARG 28 HA ARG 28 -8.648 0.728 -0.996 187 1HB ARG 28 1HB ARG 28 -6.398 -0.259 0.772 188 2HB ARG 28 2HB ARG 28 -8.066 -0.857 1.093 189 1HG ARG 28 1HG ARG 28 -6.558 -1.160 -1.563 190 2HG ARG 28 2HG ARG 28 -6.794 -2.440 -0.322 191 1HD ARG 28 1HD ARG 28 -9.350 -2.223 -0.669 192 2HD ARG 28 2HD ARG 28 -9.013 -1.016 -1.951 193 HE ARG 28 HE ARG 28 -8.254 -2.683 -3.410 194 1HH1 ARG 28 1HH1 ARG 28 -8.720 -4.242 -0.180 195 2HH1 ARG 28 2HH1 ARG 28 -8.732 -5.825 -0.864 196 1HH2 ARG 28 1HH2 ARG 28 -8.244 -4.824 -4.209 197 2HH2 ARG 28 2HH2 ARG 28 -8.395 -6.170 -3.121 198 H GLU 29 H GLU 29 -10.239 0.420 0.690 199 HA GLU 29 HA GLU 29 -10.707 2.582 2.406 200 1HB GLU 29 1HB GLU 29 -11.812 -0.246 2.140 201 2HB GLU 29 2HB GLU 29 -12.460 0.963 3.312 202 1HG GLU 29 1HG GLU 29 -12.977 2.536 1.424 203 2HG GLU 29 2HG GLU 29 -12.343 1.365 0.231 204 HE2 GLU 29 HE2 GLU 29 -15.862 0.594 2.074 205 H SER 30 H SER 30 -9.522 -0.687 3.017 206 HA SER 30 HA SER 30 -8.776 -0.117 5.713 207 1HB SER 30 1HB SER 30 -7.899 -2.554 4.044 208 2HB SER 30 2HB SER 30 -7.602 -2.306 5.796 209 HG SER 30 HG SER 30 -9.380 -3.556 5.604 210 H CYS 31 H CYS 31 -6.793 0.033 6.646 211 HA CYS 31 HA CYS 31 -4.410 0.267 4.968 212 1HB CYS 31 1HB CYS 31 -5.325 2.580 5.421 213 2HB CYS 31 2HB CYS 31 -5.210 2.257 7.206 214 H HIS 32 H HIS 32 -2.426 -0.198 6.370 215 HA HIS 32 HA HIS 32 -3.118 -1.362 8.987 216 1HB HIS 32 1HB HIS 32 -2.981 -3.184 7.366 217 2HB HIS 32 2HB HIS 32 -1.343 -2.612 6.840 218 HD1 HIS 32 HD1 HIS 32 -3.088 -4.857 8.985 219 HD2 HIS 32 HD2 HIS 32 0.632 -2.965 9.083 220 HE1 HIS 32 HE1 HIS 32 -1.711 -6.110 10.643 221 HE2 HIS 32 HE2 HIS 32 0.570 -4.950 10.718 222 H SER 33 H SER 33 -1.586 -0.983 10.536 223 HA SER 33 HA SER 33 0.278 1.174 9.827 224 1HB SER 33 1HB SER 33 -0.594 0.054 12.543 225 2HB SER 33 2HB SER 33 0.675 1.328 12.373 226 HG SER 33 HG SER 33 -1.595 2.027 12.700 227 H ALA 34 H ALA 34 1.426 -0.625 8.531 228 HA ALA 34 HA ALA 34 3.687 -1.503 10.214 229 1HB ALA 34 1HB ALA 34 4.217 -3.039 8.230 230 2HB ALA 34 2HB ALA 34 2.669 -2.504 7.461 231 3HB ALA 34 3HB ALA 34 2.645 -3.443 9.002 232 H CYS 35 H CYS 35 3.130 1.092 9.659 233 HA CYS 35 HA CYS 35 4.951 1.952 7.511 234 1HB CYS 35 1HB CYS 35 2.145 2.938 8.275 235 2HB CYS 35 2HB CYS 35 3.168 3.695 6.998 236 H ASP 36 H ASP 36 3.968 4.729 8.185 237 HA ASP 36 HA ASP 36 4.882 5.113 10.934 238 1HB ASP 36 1HB ASP 36 6.149 6.430 8.443 239 2HB ASP 36 2HB ASP 36 6.176 7.230 10.053 240 HD2 ASP 36 HD2 ASP 36 7.873 5.298 8.145 241 H LYS 37 H LYS 37 3.671 7.077 8.064 242 HA LYS 37 HA LYS 37 1.356 7.653 9.758 243 1HB LYS 37 1HB LYS 37 2.873 9.621 9.286 244 2HB LYS 37 2HB LYS 37 2.663 9.347 7.540 245 1HG LYS 37 1HG LYS 37 1.283 11.208 8.409 246 2HG LYS 37 2HG LYS 37 0.275 9.920 7.674 247 1HD LYS 37 1HD LYS 37 -0.486 9.136 9.846 248 2HD LYS 37 2HD LYS 37 0.838 10.007 10.692 249 1HE LYS 37 1HE LYS 37 -1.379 11.097 11.060 250 2HE LYS 37 2HE LYS 37 -0.212 12.197 10.221 251 1HZ LYS 37 1HZ LYS 37 -2.427 12.226 9.274 252 2HZ LYS 37 2HZ LYS 37 -2.313 10.576 8.878 253 3HZ LYS 37 3HZ LYS 37 -1.257 11.702 8.162 254 H CYS 38 H CYS 38 -0.426 6.460 9.047 255 HA CYS 38 HA CYS 38 -0.952 6.351 6.194 256 1HB CYS 38 1HB CYS 38 -1.356 4.428 7.790 257 2HB CYS 38 2HB CYS 38 -2.615 5.454 8.580 258 H VAL 39 H VAL 39 -2.371 7.705 5.094 259 HA VAL 39 HA VAL 39 -3.772 9.756 6.680 260 HB VAL 39 HB VAL 39 -2.582 9.597 3.887 261 1HG1 VAL 39 1HG1 VAL 39 -4.318 11.811 5.145 262 2HG1 VAL 39 2HG1 VAL 39 -4.690 10.833 3.658 263 3HG1 VAL 39 3HG1 VAL 39 -3.313 11.994 3.650 264 1HG2 VAL 39 1HG2 VAL 39 -1.298 11.630 4.738 265 2HG2 VAL 39 2HG2 VAL 39 -0.937 10.118 5.666 266 3HG2 VAL 39 3HG2 VAL 39 -2.044 11.372 6.359 267 H CYS 40 H CYS 40 -6.053 9.914 6.187 268 HA CYS 40 HA CYS 40 -7.066 7.928 4.299 269 1HB CYS 40 1HB CYS 40 -6.596 7.186 6.745 270 2HB CYS 40 2HB CYS 40 -8.070 8.093 7.169 271 H ALA 41 H ALA 41 -8.197 9.101 3.003 272 HA ALA 41 HA ALA 41 -9.584 11.509 3.772 273 1HB ALA 41 1HB ALA 41 -10.270 11.756 1.479 274 2HB ALA 41 2HB ALA 41 -9.695 10.096 1.084 275 3HB ALA 41 3HB ALA 41 -8.511 11.372 1.555 276 H TYR 42 H TYR 42 -11.769 11.941 3.855 277 HA TYR 42 HA TYR 42 -13.222 9.750 4.923 278 1HB TYR 42 1HB TYR 42 -14.839 11.464 5.684 279 2HB TYR 42 2HB TYR 42 -13.132 11.926 6.010 280 HD1 TYR 42 HD1 TYR 42 -16.041 12.559 3.680 281 HD2 TYR 42 HD2 TYR 42 -12.210 13.950 5.064 282 HE1 TYR 42 HE1 TYR 42 -16.362 14.674 2.469 283 HE2 TYR 42 HE2 TYR 42 -12.534 16.050 3.855 284 HH TYR 42 HH TYR 42 -15.490 16.680 1.913 285 H SER 43 H SER 43 -12.901 10.511 1.923 286 HA SER 43 HA SER 43 -15.194 11.201 0.697 287 1HB SER 43 1HB SER 43 -12.983 9.498 -0.560 288 2HB SER 43 2HB SER 43 -14.025 10.789 -1.362 289 HG SER 43 HG SER 43 -11.825 11.375 -0.752 290 H ASN 44 H ASN 44 -15.209 9.326 -1.609 291 HA ASN 44 HA ASN 44 -16.881 7.185 -0.565 292 1HB ASN 44 1HB ASN 44 -18.050 9.417 -0.921 293 2HB ASN 44 2HB ASN 44 -17.655 9.321 -2.651 294 1HD2 ASN 44 1HD2 ASN 44 -18.380 6.912 -3.576 295 2HD2 ASN 44 2HD2 ASN 44 -19.931 6.371 -3.064 296 HA PRO 45 HA PRO 45 -16.351 5.234 -0.576 297 1HB PRO 45 1HB PRO 45 -14.613 3.138 -0.904 298 2HB PRO 45 2HB PRO 45 -16.114 3.220 -1.837 299 1HG PRO 45 1HG PRO 45 -13.342 4.195 -2.745 300 2HG PRO 45 2HG PRO 45 -14.422 3.048 -3.620 301 1HD PRO 45 1HD PRO 45 -14.396 5.771 -4.162 302 2HD PRO 45 2HD PRO 45 -15.948 4.815 -4.228 303 HA PRO 46 HA PRO 46 -13.065 7.244 1.461 304 1HB PRO 46 1HB PRO 46 -12.459 5.757 3.739 305 2HB PRO 46 2HB PRO 46 -13.947 6.749 3.519 306 1HG PRO 46 1HG PRO 46 -13.657 3.745 3.153 307 2HG PRO 46 2HG PRO 46 -14.980 4.708 3.952 308 1HD PRO 46 1HD PRO 46 -15.113 3.700 1.333 309 2HD PRO 46 2HD PRO 46 -15.959 5.282 1.865 310 H GLN 47 H GLN 47 -10.740 7.382 1.894 311 HA GLN 47 HA GLN 47 -9.358 5.409 0.169 312 1HB GLN 47 1HB GLN 47 -8.739 8.390 0.492 313 2HB GLN 47 2HB GLN 47 -8.005 7.282 -0.691 314 1HG GLN 47 1HG GLN 47 -11.045 7.940 -0.760 315 2HG GLN 47 2HG GLN 47 -9.812 9.059 -1.418 316 1HE2 GLN 47 1HE2 GLN 47 -8.330 8.249 -3.066 317 2HE2 GLN 47 2HE2 GLN 47 -8.985 7.155 -4.249 318 H CYS 48 H CYS 48 -7.388 4.665 1.003 319 HA CYS 48 HA CYS 48 -6.182 6.100 3.236 320 1HB CYS 48 1HB CYS 48 -8.133 4.047 3.558 321 2HB CYS 48 2HB CYS 48 -6.593 3.192 3.732 322 H GLN 49 H GLN 49 -4.083 5.953 3.164 323 HA GLN 49 HA GLN 49 -2.654 3.756 1.981 324 1HB GLN 49 1HB GLN 49 -2.682 6.648 0.988 325 2HB GLN 49 2HB GLN 49 -1.240 5.598 0.674 326 1HG GLN 49 1HG GLN 49 -2.670 3.966 -0.596 327 2HG GLN 49 2HG GLN 49 -4.067 5.083 -0.426 328 1HE2 GLN 49 1HE2 GLN 49 -3.267 7.543 -1.041 329 2HE2 GLN 49 2HE2 GLN 49 -2.383 7.657 -2.521 330 H CYS 50 H CYS 50 -0.525 3.683 2.654 331 HA CYS 50 HA CYS 50 0.279 5.437 4.828 332 1HB CYS 50 1HB CYS 50 1.749 3.179 3.381 333 2HB CYS 50 2HB CYS 50 2.467 4.135 4.697 334 H TYR 51 H TYR 51 0.822 7.416 4.418 335 HA TYR 51 HA TYR 51 1.828 8.496 2.042 336 1HB TYR 51 1HB TYR 51 1.299 9.453 4.860 337 2HB TYR 51 2HB TYR 51 2.669 10.283 4.074 338 HD1 TYR 51 HD1 TYR 51 -0.609 8.908 2.598 339 HD2 TYR 51 HD2 TYR 51 1.812 12.433 3.364 340 HE1 TYR 51 HE1 TYR 51 -2.007 10.213 1.144 341 HE2 TYR 51 HE2 TYR 51 0.364 13.711 1.963 342 HH TYR 51 HH TYR 51 -1.480 13.709 0.587 343 H ASP 52 H ASP 52 3.528 7.159 4.701 344 HA ASP 52 HA ASP 52 6.071 8.211 3.821 345 1HB ASP 52 1HB ASP 52 5.631 7.643 6.241 346 2HB ASP 52 2HB ASP 52 5.588 5.896 5.785 347 HD2 ASP 52 HD2 ASP 52 8.952 5.700 6.234 348 H THR 53 H THR 53 6.912 7.646 1.877 349 HA THR 53 HA THR 53 6.779 5.207 0.656 350 HB THR 53 HB THR 53 9.181 7.020 0.256 351 HG1 THR 53 HG1 THR 53 7.909 8.457 -0.801 352 1HG2 THR 53 1HG2 THR 53 8.629 6.575 -2.106 353 2HG2 THR 53 2HG2 THR 53 7.010 5.931 -1.669 354 3HG2 THR 53 3HG2 THR 53 8.484 4.987 -1.268 355 H HIS 54 H HIS 54 7.645 3.242 1.454 356 HA HIS 54 HA HIS 54 10.330 3.292 2.440 357 1HB HIS 54 1HB HIS 54 9.208 3.974 4.514 358 2HB HIS 54 2HB HIS 54 8.091 2.605 4.446 359 HD1 HIS 54 HD1 HIS 54 8.771 1.487 6.480 360 HD2 HIS 54 HD2 HIS 54 12.076 2.026 3.952 361 HE1 HIS 54 HE1 HIS 54 10.624 0.130 7.426 362 HE2 HIS 54 HE2 HIS 54 12.633 0.448 5.875 363 H LYS 55 H LYS 55 7.798 0.817 3.226 364 HA LYS 55 HA LYS 55 9.727 -1.029 2.597 365 1HB LYS 55 1HB LYS 55 8.328 -2.591 3.719 366 2HB LYS 55 2HB LYS 55 8.167 -1.049 4.572 367 1HG LYS 55 1HG LYS 55 6.126 -2.112 2.505 368 2HG LYS 55 2HG LYS 55 6.062 -2.396 4.277 369 1HD LYS 55 1HD LYS 55 5.941 0.111 4.657 370 2HD LYS 55 2HD LYS 55 5.889 0.336 2.864 371 1HE LYS 55 1HE LYS 55 3.617 0.481 3.793 372 2HE LYS 55 2HE LYS 55 3.758 -0.992 2.751 373 1HZ LYS 55 1HZ LYS 55 3.977 -0.953 5.726 374 2HZ LYS 55 2HZ LYS 55 4.006 -2.319 4.720 375 3HZ LYS 55 3HZ LYS 55 2.596 -1.388 4.837 376 H PHE 56 H PHE 56 9.204 -3.135 1.524 377 HA PHE 56 HA PHE 56 9.010 -2.434 -1.195 378 1HB PHE 56 1HB PHE 56 9.721 -4.811 -1.639 379 2HB PHE 56 2HB PHE 56 10.773 -3.964 -0.482 380 HD1 PHE 56 HD1 PHE 56 8.286 -6.652 -0.919 381 HD2 PHE 56 HD2 PHE 56 10.615 -4.478 1.988 382 HE1 PHE 56 HE1 PHE 56 7.820 -8.378 0.747 383 HE2 PHE 56 HE2 PHE 56 10.128 -6.199 3.659 384 HZ PHE 56 HZ PHE 56 8.721 -8.160 3.066 385 H CYS 57 H CYS 57 7.977 -4.194 -2.765 386 HA CYS 57 HA CYS 57 5.171 -3.782 -2.370 387 1HB CYS 57 1HB CYS 57 6.352 -3.385 -4.510 388 2HB CYS 57 2HB CYS 57 6.665 -5.142 -4.667 389 H TYR 58 H TYR 58 4.076 -5.015 -1.146 390 HA TYR 58 HA TYR 58 4.612 -7.774 -0.666 391 1HB TYR 58 1HB TYR 58 3.161 -5.720 0.679 392 2HB TYR 58 2HB TYR 58 1.863 -6.804 0.138 393 HD1 TYR 58 HD1 TYR 58 5.312 -6.838 1.625 394 HD2 TYR 58 HD2 TYR 58 1.368 -8.593 1.737 395 HE1 TYR 58 HE1 TYR 58 5.957 -8.185 3.521 396 HE2 TYR 58 HE2 TYR 58 2.012 -9.935 3.627 397 HH TYR 58 HH TYR 58 5.173 -9.557 5.240 398 H LYS 59 H LYS 59 2.694 -9.203 -0.421 399 HA LYS 59 HA LYS 59 1.574 -10.274 -2.687 400 1HB LYS 59 1HB LYS 59 0.466 -10.280 0.158 401 2HB LYS 59 2HB LYS 59 -0.009 -11.416 -1.157 402 1HG LYS 59 1HG LYS 59 2.381 -12.304 -1.181 403 2HG LYS 59 2HG LYS 59 2.777 -11.217 0.184 404 1HD LYS 59 1HD LYS 59 0.708 -12.311 1.393 405 2HD LYS 59 2HD LYS 59 0.907 -13.622 0.181 406 1HE LYS 59 1HE LYS 59 3.076 -12.569 2.141 407 2HE LYS 59 2HE LYS 59 2.137 -14.109 2.322 408 1HZ LYS 59 1HZ LYS 59 4.254 -14.560 1.396 409 2HZ LYS 59 2HZ LYS 59 4.053 -13.406 0.166 410 3HZ LYS 59 3HZ LYS 59 3.090 -14.803 0.180 411 H ALA 60 H ALA 60 -0.646 -10.395 -3.421 412 HA ALA 60 HA ALA 60 -1.871 -7.837 -3.635 413 1HB ALA 60 1HB ALA 60 -1.839 -9.584 -5.451 414 2HB ALA 60 2HB ALA 60 -3.538 -9.132 -5.023 415 3HB ALA 60 3HB ALA 60 -2.811 -10.668 -4.395 416 H CYS 61 H CYS 61 -4.003 -7.236 -3.128 417 HA CYS 61 HA CYS 61 -4.783 -8.170 -0.479 418 1HB CYS 61 1HB CYS 61 -4.453 -5.632 -1.405 419 2HB CYS 61 2HB CYS 61 -6.184 -5.804 -1.754 420 H HIS 62 H HIS 62 -5.224 -9.990 -2.221 421 HA HIS 62 HA HIS 62 -8.183 -10.185 -2.343 422 1HB HIS 62 1HB HIS 62 -6.000 -11.552 -3.932 423 2HB HIS 62 2HB HIS 62 -7.411 -12.535 -3.505 424 HD1 HIS 62 HD1 HIS 62 -9.559 -12.155 -4.539 425 HD2 HIS 62 HD2 HIS 62 -6.861 -9.134 -5.639 426 HE1 HIS 62 HE1 HIS 62 -10.675 -10.788 -6.329 427 HE2 HIS 62 HE2 HIS 62 -9.026 -8.960 -6.970 428 H ASN 63 H ASN 63 -9.051 -12.302 -1.398 429 HA ASN 63 HA ASN 63 -7.780 -13.661 0.562 430 1HB ASN 63 1HB ASN 63 -8.896 -12.332 2.562 431 2HB ASN 63 2HB ASN 63 -7.314 -11.795 1.915 432 1HD2 ASN 63 1HD2 ASN 63 -7.246 -9.400 1.607 433 2HD2 ASN 63 2HD2 ASN 63 -8.586 -8.572 0.960 434 H SER 64 H SER 64 -10.732 -11.863 0.830 435 HA SER 64 HA SER 64 -12.296 -14.387 0.781 436 1HB SER 64 1HB SER 64 -11.992 -13.129 2.957 437 2HB SER 64 2HB SER 64 -12.853 -11.725 2.236 438 HG SER 64 HG SER 64 -14.656 -13.164 1.958 439 H GLU 65 H GLU 65 -11.839 -13.060 -1.614 440 HA GLU 65 HA GLU 65 -13.820 -11.443 -2.620 441 1HB GLU 65 1HB GLU 65 -12.999 -12.101 -4.852 442 2HB GLU 65 2HB GLU 65 -11.693 -11.691 -3.734 443 1HG GLU 65 1HG GLU 65 -12.557 -14.633 -4.327 444 2HG GLU 65 2HG GLU 65 -11.274 -13.770 -5.242 445 HE2 GLU 65 HE2 GLU 65 -10.294 -15.496 -1.904 446 H ILE 66 H ILE 66 -15.331 -13.238 -1.257 447 HA ILE 66 HA ILE 66 -17.132 -14.246 -3.297 448 HB ILE 66 HB ILE 66 -17.366 -16.471 -2.232 449 1HG1 ILE 66 1HG1 ILE 66 -16.086 -15.793 -0.057 450 2HG1 ILE 66 2HG1 ILE 66 -15.957 -17.434 -0.713 451 1HG2 ILE 66 1HG2 ILE 66 -14.649 -15.998 -3.581 452 2HG2 ILE 66 2HG2 ILE 66 -16.242 -16.196 -4.400 453 3HG2 ILE 66 3HG2 ILE 66 -15.540 -17.555 -3.447 454 1HD1 ILE 66 1HD1 ILE 66 -13.759 -16.576 0.103 455 2HD1 ILE 66 2HD1 ILE 66 -13.796 -15.283 -1.146 456 3HD1 ILE 66 3HD1 ILE 66 -13.712 -17.002 -1.644 457 H GLU 67 H GLU 67 -19.222 -15.160 -2.325 458 HA GLU 67 HA GLU 67 -19.876 -14.372 0.271 459 1HB GLU 67 1HB GLU 67 -21.673 -12.829 -0.381 460 2HB GLU 67 2HB GLU 67 -20.100 -12.120 -0.870 461 1HG GLU 67 1HG GLU 67 -22.039 -13.622 -2.781 462 2HG GLU 67 2HG GLU 67 -22.012 -11.840 -2.554 463 HE2 GLU 67 HE2 GLU 67 -19.912 -13.076 -5.402 Start of MODEL 15 1 1H GLY 1 1H GLY 1 -9.995 -3.751 6.568 2 2H GLY 1 2H GLY 1 -8.503 -3.549 7.362 3 3H GLY 1 3H GLY 1 -9.924 -3.754 8.267 4 1HA GLY 1 1HA GLY 1 -10.187 -5.952 7.249 5 2HA GLY 1 2HA GLY 1 -8.511 -5.713 6.602 6 H ASP 2 H ASP 2 -9.548 -7.757 8.571 7 HA ASP 2 HA ASP 2 -7.673 -7.256 10.774 8 1HB ASP 2 1HB ASP 2 -10.748 -7.486 11.191 9 2HB ASP 2 2HB ASP 2 -9.529 -7.562 12.515 10 HD2 ASP 2 HD2 ASP 2 -8.754 -4.177 12.329 11 H ASP 3 H ASP 3 -6.777 -9.066 9.748 12 HA ASP 3 HA ASP 3 -7.685 -11.428 11.138 13 1HB ASP 3 1HB ASP 3 -8.896 -11.419 8.838 14 2HB ASP 3 2HB ASP 3 -7.297 -11.687 8.075 15 HD2 ASP 3 HD2 ASP 3 -7.057 -14.960 9.291 16 H VAL 4 H VAL 4 -5.305 -10.435 8.567 17 HA VAL 4 HA VAL 4 -3.308 -12.024 9.966 18 HB VAL 4 HB VAL 4 -2.978 -10.994 7.156 19 1HG1 VAL 4 1HG1 VAL 4 -1.067 -12.230 8.377 20 2HG1 VAL 4 2HG1 VAL 4 -1.688 -13.147 6.968 21 3HG1 VAL 4 3HG1 VAL 4 -2.186 -13.618 8.627 22 1HG2 VAL 4 1HG2 VAL 4 -3.981 -13.141 6.295 23 2HG2 VAL 4 2HG2 VAL 4 -5.221 -12.066 6.992 24 3HG2 VAL 4 3HG2 VAL 4 -4.624 -13.492 7.933 25 H LYS 5 H LYS 5 -1.302 -11.070 10.492 26 HA LYS 5 HA LYS 5 -1.101 -8.235 10.537 27 1HB LYS 5 1HB LYS 5 1.017 -8.610 11.707 28 2HB LYS 5 2HB LYS 5 -0.305 -9.570 12.419 29 1HG LYS 5 1HG LYS 5 1.492 -10.960 10.368 30 2HG LYS 5 2HG LYS 5 2.143 -10.576 11.990 31 1HD LYS 5 1HD LYS 5 0.221 -11.723 13.086 32 2HD LYS 5 2HD LYS 5 -0.404 -12.234 11.485 33 1HE LYS 5 1HE LYS 5 1.717 -13.507 11.038 34 2HE LYS 5 2HE LYS 5 2.330 -13.013 12.674 35 1HZ LYS 5 1HZ LYS 5 -0.153 -14.554 12.132 36 2HZ LYS 5 2HZ LYS 5 0.435 -14.092 13.654 37 3HZ LYS 5 3HZ LYS 5 1.319 -15.182 12.700 38 H SER 6 H SER 6 -0.582 -10.421 8.184 39 HA SER 6 HA SER 6 1.540 -9.341 6.662 40 1HB SER 6 1HB SER 6 -1.048 -10.685 5.706 41 2HB SER 6 2HB SER 6 0.388 -10.347 4.673 42 HG SER 6 HG SER 6 0.341 -12.480 5.539 43 H ALA 7 H ALA 7 1.429 -7.976 4.741 44 HA ALA 7 HA ALA 7 -0.607 -5.857 4.915 45 1HB ALA 7 1HB ALA 7 1.869 -5.258 4.663 46 2HB ALA 7 2HB ALA 7 0.932 -4.744 3.206 47 3HB ALA 7 3HB ALA 7 1.928 -6.250 3.170 48 H CYS 8 H CYS 8 -1.657 -5.208 2.757 49 HA CYS 8 HA CYS 8 -1.280 -7.254 0.731 50 1HB CYS 8 1HB CYS 8 -3.331 -7.981 0.394 51 2HB CYS 8 2HB CYS 8 -3.513 -7.602 2.115 52 H CYS 9 H CYS 9 -1.246 -6.593 -1.348 53 HA CYS 9 HA CYS 9 -1.472 -3.696 -1.867 54 1HB CYS 9 1HB CYS 9 0.915 -5.613 -1.857 55 2HB CYS 9 2HB CYS 9 0.932 -4.294 -3.049 56 H ASP 10 H ASP 10 -2.582 -3.535 -3.921 57 HA ASP 10 HA ASP 10 -2.877 -5.877 -5.473 58 1HB ASP 10 1HB ASP 10 -3.314 -3.002 -6.424 59 2HB ASP 10 2HB ASP 10 -4.026 -4.441 -7.109 60 HD2 ASP 10 HD2 ASP 10 -5.650 -2.804 -6.744 61 H THR 11 H THR 11 -0.661 -3.199 -5.650 62 HA THR 11 HA THR 11 1.044 -4.372 -7.689 63 HB THR 11 HB THR 11 -0.476 -1.738 -8.150 64 HG1 THR 11 HG1 THR 11 -1.224 -2.698 -9.837 65 1HG2 THR 11 1HG2 THR 11 1.071 -1.644 -10.259 66 2HG2 THR 11 2HG2 THR 11 2.150 -2.791 -9.381 67 3HG2 THR 11 3HG2 THR 11 1.807 -1.149 -8.707 68 H CYS 12 H CYS 12 2.744 -4.326 -6.640 69 HA CYS 12 HA CYS 12 3.756 -2.170 -5.012 70 1HB CYS 12 1HB CYS 12 4.150 -4.571 -4.485 71 2HB CYS 12 2HB CYS 12 5.026 -4.751 -6.069 72 H LEU 13 H LEU 13 5.447 -0.726 -5.490 73 HA LEU 13 HA LEU 13 6.745 -0.878 -8.089 74 1HB LEU 13 1HB LEU 13 4.466 0.268 -8.172 75 2HB LEU 13 2HB LEU 13 5.147 1.563 -7.149 76 HG LEU 13 HG LEU 13 6.455 0.699 -9.803 77 1HD1 LEU 13 1HD1 LEU 13 4.100 2.677 -9.555 78 2HD1 LEU 13 2HD1 LEU 13 4.004 1.013 -10.230 79 3HD1 LEU 13 3HD1 LEU 13 4.980 2.274 -11.056 80 1HD2 LEU 13 1HD2 LEU 13 7.098 3.138 -9.946 81 2HD2 LEU 13 2HD2 LEU 13 7.724 2.379 -8.435 82 3HD2 LEU 13 3HD2 LEU 13 6.264 3.439 -8.376 83 H CYS 14 H CYS 14 8.787 -0.496 -7.775 84 HA CYS 14 HA CYS 14 9.696 0.860 -5.379 85 1HB CYS 14 1HB CYS 14 11.292 -0.737 -7.415 86 2HB CYS 14 2HB CYS 14 11.948 -0.006 -5.948 87 H THR 15 H THR 15 10.925 2.659 -5.220 88 HA THR 15 HA THR 15 10.895 4.440 -7.463 89 HB THR 15 HB THR 15 12.224 5.984 -6.088 90 HG1 THR 15 HG1 THR 15 13.246 5.237 -4.426 91 1HG2 THR 15 1HG2 THR 15 10.437 6.352 -4.390 92 2HG2 THR 15 2HG2 THR 15 9.822 4.680 -4.619 93 3HG2 THR 15 3HG2 THR 15 9.711 5.867 -5.967 94 H ARG 16 H ARG 16 12.568 5.364 -8.641 95 HA ARG 16 HA ARG 16 15.216 4.178 -8.484 96 1HB ARG 16 1HB ARG 16 13.983 6.179 -10.379 97 2HB ARG 16 2HB ARG 16 15.755 6.032 -10.193 98 1HG ARG 16 1HG ARG 16 15.783 4.459 -11.700 99 2HG ARG 16 2HG ARG 16 15.025 3.346 -10.526 100 1HD ARG 16 1HD ARG 16 13.519 5.131 -12.569 101 2HD ARG 16 2HD ARG 16 13.868 3.362 -12.775 102 HE ARG 16 HE ARG 16 12.586 3.447 -10.334 103 1HH1 ARG 16 1HH1 ARG 16 11.785 4.703 -13.578 104 2HH1 ARG 16 2HH1 ARG 16 10.071 4.544 -13.365 105 1HH2 ARG 16 1HH2 ARG 16 10.289 3.234 -10.069 106 2HH2 ARG 16 2HH2 ARG 16 9.211 3.693 -11.352 107 H SER 17 H SER 17 16.441 4.890 -6.813 108 HA SER 17 HA SER 17 16.959 7.569 -6.248 109 1HB SER 17 1HB SER 17 15.840 7.847 -4.045 110 2HB SER 17 2HB SER 17 14.620 7.563 -5.284 111 HG SER 17 HG SER 17 15.527 5.777 -3.271 112 H GLN 18 H GLN 18 17.865 7.181 -3.540 113 HA GLN 18 HA GLN 18 19.475 4.759 -3.673 114 1HB GLN 18 1HB GLN 18 20.533 6.437 -5.129 115 2HB GLN 18 2HB GLN 18 20.502 7.637 -3.811 116 1HG GLN 18 1HG GLN 18 22.093 6.184 -2.455 117 2HG GLN 18 2HG GLN 18 22.045 4.926 -3.748 118 1HE2 GLN 18 1HE2 GLN 18 22.822 5.548 -5.893 119 2HE2 GLN 18 2HE2 GLN 18 24.085 6.780 -6.032 120 HA PRO 19 HA PRO 19 19.289 3.246 -2.244 121 1HB PRO 19 1HB PRO 19 17.830 2.056 -0.207 122 2HB PRO 19 2HB PRO 19 19.591 2.506 0.002 123 1HG PRO 19 1HG PRO 19 17.121 4.139 0.841 124 2HG PRO 19 2HG PRO 19 18.545 3.667 1.858 125 1HD PRO 19 1HD PRO 19 18.352 6.122 0.554 126 2HD PRO 19 2HD PRO 19 19.955 5.279 0.763 127 HA PRO 20 HA PRO 20 15.054 3.544 -3.802 128 1HB PRO 20 1HB PRO 20 14.393 0.949 -4.418 129 2HB PRO 20 2HB PRO 20 15.671 1.839 -5.327 130 1HG PRO 20 1HG PRO 20 16.082 -0.067 -2.951 131 2HG PRO 20 2HG PRO 20 16.851 -0.142 -4.589 132 1HD PRO 20 1HD PRO 20 18.099 1.093 -2.449 133 2HD PRO 20 2HD PRO 20 18.211 1.812 -4.132 134 H THR 21 H THR 21 12.859 2.788 -3.305 135 HA THR 21 HA THR 21 12.342 2.053 -0.509 136 HB THR 21 HB THR 21 11.873 4.792 -1.885 137 HG1 THR 21 HG1 THR 21 13.910 4.617 -0.894 138 1HG2 THR 21 1HG2 THR 21 9.873 4.161 -0.463 139 2HG2 THR 21 2HG2 THR 21 10.806 5.506 0.254 140 3HG2 THR 21 3HG2 THR 21 10.986 3.863 0.939 141 H CYS 22 H CYS 22 10.230 1.139 -0.493 142 HA CYS 22 HA CYS 22 8.952 1.113 -3.151 143 1HB CYS 22 1HB CYS 22 11.016 -0.426 -3.087 144 2HB CYS 22 2HB CYS 22 10.156 -1.421 -1.872 145 H ARG 23 H ARG 23 6.950 0.310 -3.278 146 HA ARG 23 HA ARG 23 5.525 -0.644 -1.006 147 1HB ARG 23 1HB ARG 23 4.344 1.429 -0.335 148 2HB ARG 23 2HB ARG 23 6.097 1.707 -0.172 149 1HG ARG 23 1HG ARG 23 6.119 2.888 -2.393 150 2HG ARG 23 2HG ARG 23 4.334 2.677 -2.492 151 1HD ARG 23 1HD ARG 23 4.089 3.892 -0.312 152 2HD ARG 23 2HD ARG 23 5.878 4.243 -0.320 153 HE ARG 23 HE ARG 23 5.261 5.146 -2.772 154 1HH1 ARG 23 1HH1 ARG 23 3.416 5.716 0.250 155 2HH1 ARG 23 2HH1 ARG 23 2.630 7.123 -0.357 156 1HH2 ARG 23 1HH2 ARG 23 4.210 6.949 -3.561 157 2HH2 ARG 23 2HH2 ARG 23 3.106 7.871 -2.597 158 H CYS 24 H CYS 24 3.062 -0.308 -1.429 159 HA CYS 24 HA CYS 24 2.692 -0.561 -4.307 160 1HB CYS 24 1HB CYS 24 0.528 -1.576 -3.822 161 2HB CYS 24 2HB CYS 24 1.976 -2.419 -3.201 162 H VAL 25 H VAL 25 1.661 0.664 -5.572 163 HA VAL 25 HA VAL 25 1.287 3.346 -4.845 164 HB VAL 25 HB VAL 25 0.499 3.657 -7.200 165 1HG1 VAL 25 1HG1 VAL 25 3.116 2.098 -6.674 166 2HG1 VAL 25 2HG1 VAL 25 2.864 3.862 -6.382 167 3HG1 VAL 25 3HG1 VAL 25 2.780 3.216 -8.054 168 1HG2 VAL 25 1HG2 VAL 25 0.737 1.759 -8.767 169 2HG2 VAL 25 2HG2 VAL 25 -0.518 1.344 -7.557 170 3HG2 VAL 25 3HG2 VAL 25 1.134 0.613 -7.470 171 H ASP 26 H ASP 26 -0.779 0.837 -4.481 172 HA ASP 26 HA ASP 26 -3.172 2.015 -5.369 173 1HB ASP 26 1HB ASP 26 -2.830 -0.477 -3.609 174 2HB ASP 26 2HB ASP 26 -4.333 0.018 -4.491 175 HD2 ASP 26 HD2 ASP 26 -1.198 -1.357 -6.531 176 H VAL 27 H VAL 27 -4.620 3.266 -4.524 177 HA VAL 27 HA VAL 27 -4.533 3.902 -1.699 178 HB VAL 27 HB VAL 27 -4.558 5.500 -3.608 179 1HG1 VAL 27 1HG1 VAL 27 -7.574 4.868 -3.625 180 2HG1 VAL 27 2HG1 VAL 27 -6.440 4.384 -4.952 181 3HG1 VAL 27 3HG1 VAL 27 -6.728 6.134 -4.582 182 1HG2 VAL 27 1HG2 VAL 27 -5.074 5.999 -1.161 183 2HG2 VAL 27 2HG2 VAL 27 -6.827 5.767 -1.550 184 3HG2 VAL 27 3HG2 VAL 27 -5.895 7.106 -2.331 185 H ARG 28 H ARG 28 -5.773 3.131 -0.160 186 HA ARG 28 HA ARG 28 -7.999 1.339 -0.985 187 1HB ARG 28 1HB ARG 28 -6.007 1.008 1.309 188 2HB ARG 28 2HB ARG 28 -7.292 -0.172 0.873 189 1HG ARG 28 1HG ARG 28 -4.812 0.641 -0.752 190 2HG ARG 28 2HG ARG 28 -5.009 -0.897 0.146 191 1HD ARG 28 1HD ARG 28 -7.016 -0.259 -2.109 192 2HD ARG 28 2HD ARG 28 -5.313 -0.543 -2.523 193 HE ARG 28 HE ARG 28 -5.395 -2.780 -1.810 194 1HH1 ARG 28 1HH1 ARG 28 -8.623 -1.287 -1.273 195 2HH1 ARG 28 2HH1 ARG 28 -9.433 -2.815 -1.320 196 1HH2 ARG 28 1HH2 ARG 28 -6.533 -4.748 -1.888 197 2HH2 ARG 28 2HH2 ARG 28 -8.251 -4.786 -1.657 198 H GLU 29 H GLU 29 -9.311 0.665 0.979 199 HA GLU 29 HA GLU 29 -10.797 2.687 2.110 200 1HB GLU 29 1HB GLU 29 -10.163 -0.210 2.892 201 2HB GLU 29 2HB GLU 29 -11.427 0.751 3.734 202 1HG GLU 29 1HG GLU 29 -12.691 0.992 1.547 203 2HG GLU 29 2HG GLU 29 -11.510 -0.136 0.766 204 HE2 GLU 29 HE2 GLU 29 -14.237 -2.108 2.061 205 H SER 30 H SER 30 -7.851 1.240 3.171 206 HA SER 30 HA SER 30 -7.719 2.739 5.658 207 1HB SER 30 1HB SER 30 -7.667 -0.386 5.575 208 2HB SER 30 2HB SER 30 -7.346 0.598 7.043 209 HG SER 30 HG SER 30 -9.389 -0.192 7.096 210 H CYS 31 H CYS 31 -5.610 2.043 6.840 211 HA CYS 31 HA CYS 31 -3.564 1.120 4.901 212 1HB CYS 31 1HB CYS 31 -3.408 2.605 7.587 213 2HB CYS 31 2HB CYS 31 -1.946 2.067 6.677 214 H HIS 32 H HIS 32 -1.803 -0.159 6.112 215 HA HIS 32 HA HIS 32 -2.925 -1.894 8.217 216 1HB HIS 32 1HB HIS 32 -2.677 -3.212 6.161 217 2HB HIS 32 2HB HIS 32 -0.931 -2.675 6.021 218 HD1 HIS 32 HD1 HIS 32 -3.343 -4.484 8.284 219 HD2 HIS 32 HD2 HIS 32 0.746 -4.592 7.388 220 HE1 HIS 32 HE1 HIS 32 -2.347 -6.285 9.683 221 HE2 HIS 32 HE2 HIS 32 0.144 -6.352 9.109 222 H SER 33 H SER 33 -1.118 -2.759 9.558 223 HA SER 33 HA SER 33 0.426 -0.998 10.791 224 1HB SER 33 1HB SER 33 1.152 -3.985 10.453 225 2HB SER 33 2HB SER 33 1.399 -2.983 11.922 226 HG SER 33 HG SER 33 -0.450 -3.902 12.393 227 H ALA 34 H ALA 34 1.110 -1.970 7.698 228 HA ALA 34 HA ALA 34 3.944 -1.928 7.600 229 1HB ALA 34 1HB ALA 34 1.720 -1.614 5.465 230 2HB ALA 34 2HB ALA 34 2.542 -3.163 5.928 231 3HB ALA 34 3HB ALA 34 3.458 -1.865 5.092 232 H CYS 35 H CYS 35 1.604 0.508 7.992 233 HA CYS 35 HA CYS 35 3.118 2.558 6.530 234 1HB CYS 35 1HB CYS 35 0.196 2.402 7.464 235 2HB CYS 35 2HB CYS 35 0.893 3.719 6.438 236 H ASP 36 H ASP 36 4.215 4.051 7.759 237 HA ASP 36 HA ASP 36 3.337 4.438 10.552 238 1HB ASP 36 1HB ASP 36 5.858 5.267 8.978 239 2HB ASP 36 2HB ASP 36 5.507 5.858 10.632 240 HD2 ASP 36 HD2 ASP 36 6.056 2.907 12.207 241 H LYS 37 H LYS 37 3.295 6.256 7.500 242 HA LYS 37 HA LYS 37 1.529 8.101 8.940 243 1HB LYS 37 1HB LYS 37 3.525 9.378 8.100 244 2HB LYS 37 2HB LYS 37 3.205 8.771 6.476 245 1HG LYS 37 1HG LYS 37 2.338 10.987 6.568 246 2HG LYS 37 2HG LYS 37 0.922 9.899 6.502 247 1HD LYS 37 1HD LYS 37 0.597 10.168 8.983 248 2HD LYS 37 2HD LYS 37 2.081 11.193 9.059 249 1HE LYS 37 1HE LYS 37 0.990 12.892 7.558 250 2HE LYS 37 2HE LYS 37 -0.505 11.870 7.491 251 1HZ LYS 37 1HZ LYS 37 0.721 12.975 9.963 252 2HZ LYS 37 2HZ LYS 37 -0.733 12.109 9.848 253 3HZ LYS 37 3HZ LYS 37 -0.600 13.645 9.133 254 H CYS 38 H CYS 38 -0.267 6.884 8.706 255 HA CYS 38 HA CYS 38 -1.234 6.339 6.012 256 1HB CYS 38 1HB CYS 38 -1.610 4.818 8.017 257 2HB CYS 38 2HB CYS 38 -2.473 6.169 8.826 258 H VAL 39 H VAL 39 -1.834 8.180 4.854 259 HA VAL 39 HA VAL 39 -3.185 10.306 6.367 260 HB VAL 39 HB VAL 39 -1.069 10.373 4.703 261 1HG1 VAL 39 1HG1 VAL 39 -1.769 11.106 2.488 262 2HG1 VAL 39 2HG1 VAL 39 -3.473 10.706 2.821 263 3HG1 VAL 39 3HG1 VAL 39 -2.249 9.361 2.789 264 1HG2 VAL 39 1HG2 VAL 39 -3.381 12.391 4.596 265 2HG2 VAL 39 2HG2 VAL 39 -1.640 12.675 4.197 266 3HG2 VAL 39 3HG2 VAL 39 -2.111 12.309 5.912 267 H CYS 40 H CYS 40 -5.485 10.808 5.669 268 HA CYS 40 HA CYS 40 -6.537 8.969 3.642 269 1HB CYS 40 1HB CYS 40 -7.566 9.278 6.477 270 2HB CYS 40 2HB CYS 40 -8.455 8.454 5.191 271 H ALA 41 H ALA 41 -7.565 10.067 2.240 272 HA ALA 41 HA ALA 41 -8.950 12.528 2.778 273 1HB ALA 41 1HB ALA 41 -7.872 12.143 0.579 274 2HB ALA 41 2HB ALA 41 -9.625 12.545 0.470 275 3HB ALA 41 3HB ALA 41 -9.074 10.850 0.239 276 H TYR 42 H TYR 42 -11.057 12.974 2.793 277 HA TYR 42 HA TYR 42 -12.682 11.036 4.035 278 1HB TYR 42 1HB TYR 42 -14.122 13.147 4.451 279 2HB TYR 42 2HB TYR 42 -12.429 13.122 5.058 280 HD1 TYR 42 HD1 TYR 42 -10.786 14.724 4.273 281 HD2 TYR 42 HD2 TYR 42 -14.564 14.403 2.200 282 HE1 TYR 42 HE1 TYR 42 -10.259 16.726 2.963 283 HE2 TYR 42 HE2 TYR 42 -14.017 16.432 0.923 284 HH TYR 42 HH TYR 42 -12.239 17.802 0.271 285 H SER 43 H SER 43 -12.302 10.781 1.223 286 HA SER 43 HA SER 43 -14.561 11.199 -0.366 287 1HB SER 43 1HB SER 43 -12.513 8.942 -0.578 288 2HB SER 43 2HB SER 43 -13.573 9.556 -1.919 289 HG SER 43 HG SER 43 -11.449 10.386 -1.968 290 H ASN 44 H ASN 44 -15.408 9.035 -1.573 291 HA ASN 44 HA ASN 44 -16.432 7.054 0.300 292 1HB ASN 44 1HB ASN 44 -18.057 8.902 0.204 293 2HB ASN 44 2HB ASN 44 -17.971 8.953 -1.560 294 1HD2 ASN 44 1HD2 ASN 44 -18.986 7.020 -2.752 295 2HD2 ASN 44 2HD2 ASN 44 -20.302 6.225 -1.994 296 HA PRO 45 HA PRO 45 -15.926 5.053 0.308 297 1HB PRO 45 1HB PRO 45 -14.023 3.109 -0.203 298 2HB PRO 45 2HB PRO 45 -15.690 2.937 -0.778 299 1HG PRO 45 1HG PRO 45 -13.319 4.052 -2.383 300 2HG PRO 45 2HG PRO 45 -14.439 2.728 -2.872 301 1HD PRO 45 1HD PRO 45 -14.830 5.363 -3.655 302 2HD PRO 45 2HD PRO 45 -16.250 4.292 -3.246 303 HA PRO 46 HA PRO 46 -12.693 7.645 1.570 304 1HB PRO 46 1HB PRO 46 -11.555 6.553 3.824 305 2HB PRO 46 2HB PRO 46 -13.279 7.101 3.800 306 1HG PRO 46 1HG PRO 46 -12.245 4.247 3.313 307 2HG PRO 46 2HG PRO 46 -13.503 4.818 4.501 308 1HD PRO 46 1HD PRO 46 -14.158 3.811 2.001 309 2HD PRO 46 2HD PRO 46 -15.078 5.282 2.732 310 H GLN 47 H GLN 47 -10.333 8.043 1.571 311 HA GLN 47 HA GLN 47 -8.938 5.889 0.099 312 1HB GLN 47 1HB GLN 47 -8.563 8.920 -0.077 313 2HB GLN 47 2HB GLN 47 -7.693 7.693 -1.032 314 1HG GLN 47 1HG GLN 47 -10.715 8.247 -1.236 315 2HG GLN 47 2HG GLN 47 -9.456 8.969 -2.307 316 1HE2 GLN 47 1HE2 GLN 47 -10.858 5.818 -1.253 317 2HE2 GLN 47 2HE2 GLN 47 -10.593 5.026 -2.783 318 H CYS 48 H CYS 48 -6.922 5.418 0.850 319 HA CYS 48 HA CYS 48 -5.684 7.171 2.798 320 1HB CYS 48 1HB CYS 48 -6.456 4.217 3.202 321 2HB CYS 48 2HB CYS 48 -5.253 5.082 4.239 322 H GLN 49 H GLN 49 -3.591 7.162 2.606 323 HA GLN 49 HA GLN 49 -2.321 5.163 0.873 324 1HB GLN 49 1HB GLN 49 -2.193 8.187 0.916 325 2HB GLN 49 2HB GLN 49 -0.736 7.265 0.366 326 1HG GLN 49 1HG GLN 49 -2.258 6.064 -1.345 327 2HG GLN 49 2HG GLN 49 -3.540 7.261 -0.905 328 1HE2 GLN 49 1HE2 GLN 49 -2.799 9.594 -0.966 329 2HE2 GLN 49 2HE2 GLN 49 -1.624 10.096 -2.170 330 H CYS 50 H CYS 50 -0.345 4.611 1.232 331 HA CYS 50 HA CYS 50 0.527 4.745 4.029 332 1HB CYS 50 1HB CYS 50 0.118 2.566 2.524 333 2HB CYS 50 2HB CYS 50 1.614 3.019 1.678 334 H TYR 51 H TYR 51 1.159 6.962 3.700 335 HA TYR 51 HA TYR 51 2.928 7.933 1.785 336 1HB TYR 51 1HB TYR 51 1.740 8.954 4.340 337 2HB TYR 51 2HB TYR 51 3.382 9.578 4.095 338 HD1 TYR 51 HD1 TYR 51 0.233 8.938 2.110 339 HD2 TYR 51 HD2 TYR 51 3.529 11.644 2.827 340 HE1 TYR 51 HE1 TYR 51 -0.592 10.454 0.377 341 HE2 TYR 51 HE2 TYR 51 2.604 13.192 1.273 342 HH TYR 51 HH TYR 51 -0.456 12.530 -0.527 343 H ASP 52 H ASP 52 3.612 6.952 5.029 344 HA ASP 52 HA ASP 52 6.526 7.026 4.424 345 1HB ASP 52 1HB ASP 52 5.828 8.634 6.191 346 2HB ASP 52 2HB ASP 52 5.139 7.292 7.158 347 HD2 ASP 52 HD2 ASP 52 9.147 7.273 6.704 348 H THR 53 H THR 53 6.781 5.095 3.515 349 HA THR 53 HA THR 53 7.282 3.041 5.404 350 HB THR 53 HB THR 53 4.928 2.489 4.663 351 HG1 THR 53 HG1 THR 53 5.623 0.650 5.191 352 1HG2 THR 53 1HG2 THR 53 4.624 1.524 2.397 353 2HG2 THR 53 2HG2 THR 53 6.338 1.861 1.969 354 3HG2 THR 53 3HG2 THR 53 5.192 3.228 2.256 355 H HIS 54 H HIS 54 8.732 1.415 4.382 356 HA HIS 54 HA HIS 54 9.954 2.225 1.858 357 1HB HIS 54 1HB HIS 54 10.985 3.389 3.935 358 2HB HIS 54 2HB HIS 54 11.442 1.784 4.556 359 HD1 HIS 54 HD1 HIS 54 12.955 4.520 3.686 360 HD2 HIS 54 HD2 HIS 54 13.283 0.773 1.857 361 HE1 HIS 54 HE1 HIS 54 15.163 4.479 2.527 362 HE2 HIS 54 HE2 HIS 54 15.355 2.188 1.415 363 H LYS 55 H LYS 55 8.558 -0.140 3.586 364 HA LYS 55 HA LYS 55 10.478 -2.239 2.924 365 1HB LYS 55 1HB LYS 55 10.137 -2.991 5.307 366 2HB LYS 55 2HB LYS 55 10.834 -1.355 5.191 367 1HG LYS 55 1HG LYS 55 7.879 -1.204 5.341 368 2HG LYS 55 2HG LYS 55 8.539 -2.231 6.643 369 1HD LYS 55 1HD LYS 55 10.077 -0.460 7.378 370 2HD LYS 55 2HD LYS 55 9.577 0.612 6.028 371 1HE LYS 55 1HE LYS 55 7.253 0.744 6.959 372 2HE LYS 55 2HE LYS 55 7.714 -0.399 8.286 373 1HZ LYS 55 1HZ LYS 55 7.794 1.914 8.975 374 2HZ LYS 55 2HZ LYS 55 8.949 2.269 7.785 375 3HZ LYS 55 3HZ LYS 55 9.333 1.201 9.044 376 H PHE 56 H PHE 56 7.756 -1.848 1.560 377 HA PHE 56 HA PHE 56 6.982 -4.618 2.088 378 1HB PHE 56 1HB PHE 56 5.144 -2.309 2.794 379 2HB PHE 56 2HB PHE 56 4.405 -3.641 1.845 380 HD1 PHE 56 HD1 PHE 56 4.519 -5.990 2.615 381 HD2 PHE 56 HD2 PHE 56 5.773 -2.746 5.144 382 HE1 PHE 56 HE1 PHE 56 4.281 -7.438 4.588 383 HE2 PHE 56 HE2 PHE 56 5.510 -4.175 7.112 384 HZ PHE 56 HZ PHE 56 4.757 -6.536 6.860 385 H CYS 57 H CYS 57 6.677 -5.753 0.418 386 HA CYS 57 HA CYS 57 5.397 -4.577 -1.948 387 1HB CYS 57 1HB CYS 57 7.989 -4.539 -2.007 388 2HB CYS 57 2HB CYS 57 7.951 -6.320 -1.962 389 H TYR 58 H TYR 58 3.528 -5.713 -1.410 390 HA TYR 58 HA TYR 58 3.823 -8.614 -0.936 391 1HB TYR 58 1HB TYR 58 2.611 -6.569 0.607 392 2HB TYR 58 2HB TYR 58 1.215 -7.363 -0.194 393 HD1 TYR 58 HD1 TYR 58 4.381 -8.030 1.684 394 HD2 TYR 58 HD2 TYR 58 0.447 -9.498 0.711 395 HE1 TYR 58 HE1 TYR 58 4.663 -9.847 3.276 396 HE2 TYR 58 HE2 TYR 58 0.737 -11.316 2.277 397 HH TYR 58 HH TYR 58 3.828 -12.005 3.845 398 H LYS 59 H LYS 59 2.177 -9.978 -1.435 399 HA LYS 59 HA LYS 59 0.713 -9.953 -3.822 400 1HB LYS 59 1HB LYS 59 0.602 -11.585 -1.263 401 2HB LYS 59 2HB LYS 59 -0.756 -11.663 -2.402 402 1HG LYS 59 1HG LYS 59 0.522 -13.480 -2.905 403 2HG LYS 59 2HG LYS 59 0.784 -12.349 -4.267 404 1HD LYS 59 1HD LYS 59 2.792 -12.605 -1.926 405 2HD LYS 59 2HD LYS 59 2.737 -13.817 -3.232 406 1HE LYS 59 1HE LYS 59 3.337 -10.829 -3.734 407 2HE LYS 59 2HE LYS 59 4.530 -12.175 -3.639 408 1HZ LYS 59 1HZ LYS 59 3.988 -11.685 -5.875 409 2HZ LYS 59 2HZ LYS 59 2.327 -11.902 -5.610 410 3HZ LYS 59 3HZ LYS 59 3.380 -13.223 -5.491 411 H ALA 60 H ALA 60 -1.682 -10.034 -4.029 412 HA ALA 60 HA ALA 60 -2.904 -7.757 -2.739 413 1HB ALA 60 1HB ALA 60 -3.891 -9.800 -4.786 414 2HB ALA 60 2HB ALA 60 -3.172 -8.200 -5.162 415 3HB ALA 60 3HB ALA 60 -4.768 -8.290 -4.323 416 H CYS 61 H CYS 61 -5.062 -7.908 -1.892 417 HA CYS 61 HA CYS 61 -5.268 -9.715 0.309 418 1HB CYS 61 1HB CYS 61 -7.161 -7.641 -0.925 419 2HB CYS 61 2HB CYS 61 -7.786 -8.785 0.286 420 H HIS 62 H HIS 62 -7.555 -9.311 -2.341 421 HA HIS 62 HA HIS 62 -8.297 -12.069 -2.371 422 1HB HIS 62 1HB HIS 62 -9.640 -11.553 -4.322 423 2HB HIS 62 2HB HIS 62 -9.867 -10.349 -3.026 424 HD1 HIS 62 HD1 HIS 62 -10.409 -10.189 -6.109 425 HD2 HIS 62 HD2 HIS 62 -7.517 -8.057 -3.948 426 HE1 HIS 62 HE1 HIS 62 -10.056 -8.005 -7.280 427 HE2 HIS 62 HE2 HIS 62 -8.338 -6.722 -5.910 428 H ASN 63 H ASN 63 -7.859 -13.681 -4.097 429 HA ASN 63 HA ASN 63 -6.108 -13.333 -6.150 430 1HB ASN 63 1HB ASN 63 -4.217 -14.844 -5.162 431 2HB ASN 63 2HB ASN 63 -4.188 -13.095 -4.848 432 1HD2 ASN 63 1HD2 ASN 63 -4.165 -12.405 -2.542 433 2HD2 ASN 63 2HD2 ASN 63 -4.259 -13.551 -1.295 434 H SER 64 H SER 64 -6.207 -15.981 -3.843 435 HA SER 64 HA SER 64 -6.999 -17.724 -6.072 436 1HB SER 64 1HB SER 64 -4.988 -18.041 -4.442 437 2HB SER 64 2HB SER 64 -6.176 -18.689 -3.276 438 HG SER 64 HG SER 64 -5.118 -20.236 -4.704 439 H GLU 65 H GLU 65 -9.178 -16.366 -5.473 440 HA GLU 65 HA GLU 65 -11.087 -17.715 -3.905 441 1HB GLU 65 1HB GLU 65 -11.565 -15.952 -6.343 442 2HB GLU 65 2HB GLU 65 -12.821 -16.638 -5.268 443 1HG GLU 65 1HG GLU 65 -12.481 -14.333 -4.579 444 2HG GLU 65 2HG GLU 65 -11.894 -15.432 -3.283 445 HE2 GLU 65 HE2 GLU 65 -10.773 -13.876 -6.173 446 H ILE 66 H ILE 66 -10.168 -19.826 -4.480 447 HA ILE 66 HA ILE 66 -12.039 -21.296 -6.113 448 HB ILE 66 HB ILE 66 -10.211 -22.676 -7.155 449 1HG1 ILE 66 1HG1 ILE 66 -8.341 -20.302 -6.547 450 2HG1 ILE 66 2HG1 ILE 66 -8.338 -21.836 -5.608 451 1HG2 ILE 66 1HG2 ILE 66 -10.166 -19.767 -8.145 452 2HG2 ILE 66 2HG2 ILE 66 -11.538 -20.913 -8.415 453 3HG2 ILE 66 3HG2 ILE 66 -9.914 -21.267 -9.104 454 1HD1 ILE 66 1HD1 ILE 66 -7.745 -21.552 -8.624 455 2HD1 ILE 66 2HD1 ILE 66 -7.876 -23.115 -7.734 456 3HD1 ILE 66 3HD1 ILE 66 -6.575 -21.942 -7.312 457 H GLU 67 H GLU 67 -11.562 -23.799 -5.716 458 HA GLU 67 HA GLU 67 -10.058 -24.434 -3.464 459 1HB GLU 67 1HB GLU 67 -11.906 -25.365 -2.140 460 2HB GLU 67 2HB GLU 67 -12.111 -23.587 -2.248 461 1HG GLU 67 1HG GLU 67 -13.621 -25.636 -4.041 462 2HG GLU 67 2HG GLU 67 -14.259 -24.986 -2.490 463 HE2 GLU 67 HE2 GLU 67 -14.833 -21.799 -3.799 Start of MODEL 16 1 1H GLY 1 1H GLY 1 -2.753 -12.705 1.084 2 2H GLY 1 2H GLY 1 -2.491 -14.266 0.462 3 3H GLY 1 3H GLY 1 -1.992 -13.885 2.041 4 1HA GLY 1 1HA GLY 1 -4.276 -13.505 2.671 5 2HA GLY 1 2HA GLY 1 -4.740 -14.077 1.017 6 H ASP 2 H ASP 2 -4.020 -14.991 4.241 7 HA ASP 2 HA ASP 2 -4.130 -17.850 3.673 8 1HB ASP 2 1HB ASP 2 -1.590 -16.413 4.761 9 2HB ASP 2 2HB ASP 2 -1.862 -18.184 4.901 10 HD2 ASP 2 HD2 ASP 2 -0.411 -16.748 1.560 11 H ASP 3 H ASP 3 -5.813 -16.076 5.075 12 HA ASP 3 HA ASP 3 -6.995 -15.929 6.868 13 1HB ASP 3 1HB ASP 3 -5.634 -18.410 7.971 14 2HB ASP 3 2HB ASP 3 -7.256 -17.753 8.434 15 HD2 ASP 3 HD2 ASP 3 -6.892 -20.144 5.371 16 H VAL 4 H VAL 4 -5.089 -14.199 6.860 17 HA VAL 4 HA VAL 4 -4.776 -13.572 9.625 18 HB VAL 4 HB VAL 4 -2.818 -14.945 9.178 19 1HG1 VAL 4 1HG1 VAL 4 -2.036 -12.811 7.070 20 2HG1 VAL 4 2HG1 VAL 4 -2.493 -14.523 6.740 21 3HG1 VAL 4 3HG1 VAL 4 -0.997 -14.151 7.657 22 1HG2 VAL 4 1HG2 VAL 4 -2.752 -13.015 10.833 23 2HG2 VAL 4 2HG2 VAL 4 -2.034 -11.970 9.545 24 3HG2 VAL 4 3HG2 VAL 4 -1.151 -13.420 10.125 25 H LYS 5 H LYS 5 -4.673 -11.347 9.945 26 HA LYS 5 HA LYS 5 -5.377 -9.683 7.699 27 1HB LYS 5 1HB LYS 5 -5.017 -9.110 10.694 28 2HB LYS 5 2HB LYS 5 -5.605 -7.913 9.493 29 1HG LYS 5 1HG LYS 5 -7.582 -9.307 8.996 30 2HG LYS 5 2HG LYS 5 -7.020 -10.572 10.129 31 1HD LYS 5 1HD LYS 5 -7.158 -8.932 12.042 32 2HD LYS 5 2HD LYS 5 -7.693 -7.653 10.899 33 1HE LYS 5 1HE LYS 5 -9.622 -8.639 12.160 34 2HE LYS 5 2HE LYS 5 -9.776 -8.935 10.378 35 1HZ LYS 5 1HZ LYS 5 -8.957 -11.132 10.692 36 2HZ LYS 5 2HZ LYS 5 -10.272 -10.867 11.731 37 3HZ LYS 5 3HZ LYS 5 -8.690 -10.875 12.350 38 H SER 6 H SER 6 -3.109 -10.558 7.097 39 HA SER 6 HA SER 6 -0.828 -8.982 7.719 40 1HB SER 6 1HB SER 6 0.088 -9.839 5.493 41 2HB SER 6 2HB SER 6 -0.434 -11.084 6.677 42 HG SER 6 HG SER 6 -1.104 -11.461 4.542 43 H ALA 7 H ALA 7 0.301 -7.469 6.261 44 HA ALA 7 HA ALA 7 -1.427 -5.423 5.251 45 1HB ALA 7 1HB ALA 7 0.850 -4.899 6.163 46 2HB ALA 7 2HB ALA 7 0.719 -4.394 4.439 47 3HB ALA 7 3HB ALA 7 1.580 -5.914 4.871 48 H CYS 8 H CYS 8 -2.103 -5.002 3.246 49 HA CYS 8 HA CYS 8 -1.239 -6.750 1.001 50 1HB CYS 8 1HB CYS 8 -3.989 -5.714 1.778 51 2HB CYS 8 2HB CYS 8 -3.600 -6.143 0.079 52 H CYS 9 H CYS 9 -1.332 -5.814 -1.112 53 HA CYS 9 HA CYS 9 -1.543 -2.896 -1.256 54 1HB CYS 9 1HB CYS 9 0.863 -3.471 -0.674 55 2HB CYS 9 2HB CYS 9 0.904 -4.568 -2.077 56 H ASP 10 H ASP 10 -2.571 -2.373 -3.271 57 HA ASP 10 HA ASP 10 -3.095 -4.609 -5.043 58 1HB ASP 10 1HB ASP 10 -3.821 -1.661 -5.346 59 2HB ASP 10 2HB ASP 10 -4.439 -2.955 -6.348 60 HD2 ASP 10 HD2 ASP 10 -6.617 -4.155 -4.044 61 H THR 11 H THR 11 -1.073 -1.636 -5.266 62 HA THR 11 HA THR 11 0.309 -2.641 -7.626 63 HB THR 11 HB THR 11 -1.029 0.128 -7.634 64 HG1 THR 11 HG1 THR 11 -2.522 -0.655 -9.051 65 1HG2 THR 11 1HG2 THR 11 0.107 -1.687 -9.877 66 2HG2 THR 11 2HG2 THR 11 0.891 -0.191 -9.226 67 3HG2 THR 11 3HG2 THR 11 -0.643 -0.074 -10.131 68 H CYS 12 H CYS 12 2.369 -1.793 -7.690 69 HA CYS 12 HA CYS 12 3.170 0.371 -5.924 70 1HB CYS 12 1HB CYS 12 4.552 -1.131 -4.577 71 2HB CYS 12 2HB CYS 12 2.839 -1.708 -4.602 72 H LEU 13 H LEU 13 5.417 0.687 -5.820 73 HA LEU 13 HA LEU 13 6.837 0.247 -8.348 74 1HB LEU 13 1HB LEU 13 5.199 2.060 -8.647 75 2HB LEU 13 2HB LEU 13 5.719 2.843 -7.129 76 HG LEU 13 HG LEU 13 6.376 3.967 -9.271 77 1HD1 LEU 13 1HD1 LEU 13 7.575 4.377 -7.112 78 2HD1 LEU 13 2HD1 LEU 13 8.560 4.702 -8.592 79 3HD1 LEU 13 3HD1 LEU 13 8.857 3.214 -7.626 80 1HD2 LEU 13 1HD2 LEU 13 6.910 1.933 -10.637 81 2HD2 LEU 13 2HD2 LEU 13 8.403 1.676 -9.652 82 3HD2 LEU 13 3HD2 LEU 13 8.234 3.157 -10.654 83 H CYS 14 H CYS 14 8.777 -0.260 -7.763 84 HA CYS 14 HA CYS 14 9.952 0.760 -5.307 85 1HB CYS 14 1HB CYS 14 10.903 -1.487 -7.102 86 2HB CYS 14 2HB CYS 14 11.733 -0.905 -5.646 87 H THR 15 H THR 15 11.781 1.993 -5.233 88 HA THR 15 HA THR 15 12.320 3.406 -7.717 89 HB THR 15 HB THR 15 13.847 4.791 -6.424 90 HG1 THR 15 HG1 THR 15 14.313 4.287 -4.399 91 1HG2 THR 15 1HG2 THR 15 12.026 5.845 -5.053 92 2HG2 THR 15 2HG2 THR 15 11.043 4.344 -5.174 93 3HG2 THR 15 3HG2 THR 15 11.400 5.296 -6.657 94 H ARG 16 H ARG 16 14.220 3.439 -8.827 95 HA ARG 16 HA ARG 16 16.116 1.265 -8.339 96 1HB ARG 16 1HB ARG 16 16.100 3.411 -10.505 97 2HB ARG 16 2HB ARG 16 17.240 2.020 -10.416 98 1HG ARG 16 1HG ARG 16 15.333 0.435 -10.532 99 2HG ARG 16 2HG ARG 16 14.205 1.824 -10.775 100 1HD ARG 16 1HD ARG 16 15.542 2.473 -12.847 101 2HD ARG 16 2HD ARG 16 16.512 0.944 -12.655 102 HE ARG 16 HE ARG 16 13.872 0.068 -12.498 103 1HH1 ARG 16 1HH1 ARG 16 15.614 2.090 -14.868 104 2HH1 ARG 16 2HH1 ARG 16 14.492 1.771 -16.148 105 1HH2 ARG 16 1HH2 ARG 16 12.404 -0.351 -14.210 106 2HH2 ARG 16 2HH2 ARG 16 12.659 0.342 -15.784 107 H SER 17 H SER 17 15.770 3.699 -6.534 108 HA SER 17 HA SER 17 18.234 5.114 -6.567 109 1HB SER 17 1HB SER 17 17.564 6.109 -4.424 110 2HB SER 17 2HB SER 17 16.224 6.130 -5.580 111 HG SER 17 HG SER 17 16.567 4.593 -3.250 112 H GLN 18 H GLN 18 19.623 5.163 -4.508 113 HA GLN 18 HA GLN 18 20.194 2.555 -3.332 114 1HB GLN 18 1HB GLN 18 21.972 4.308 -5.120 115 2HB GLN 18 2HB GLN 18 22.687 3.140 -3.972 116 1HG GLN 18 1HG GLN 18 20.832 2.389 -6.351 117 2HG GLN 18 2HG GLN 18 22.620 2.275 -6.322 118 1HE2 GLN 18 1HE2 GLN 18 19.617 0.863 -5.022 119 2HE2 GLN 18 2HE2 GLN 18 20.385 -0.613 -4.439 120 HA PRO 19 HA PRO 19 20.090 2.233 -1.120 121 1HB PRO 19 1HB PRO 19 18.451 3.017 1.037 122 2HB PRO 19 2HB PRO 19 20.273 2.902 1.116 123 1HG PRO 19 1HG PRO 19 18.595 5.396 0.520 124 2HG PRO 19 2HG PRO 19 19.894 5.197 1.771 125 1HD PRO 19 1HD PRO 19 20.456 6.288 -0.679 126 2HD PRO 19 2HD PRO 19 21.627 5.107 0.074 127 HA PRO 20 HA PRO 20 16.252 2.333 -3.346 128 1HB PRO 20 1HB PRO 20 15.307 -0.202 -3.005 129 2HB PRO 20 2HB PRO 20 16.924 0.070 -3.758 130 1HG PRO 20 1HG PRO 20 16.336 -0.536 -0.801 131 2HG PRO 20 2HG PRO 20 17.452 -1.445 -1.902 132 1HD PRO 20 1HD PRO 20 18.313 0.604 -0.219 133 2HD PRO 20 2HD PRO 20 19.061 0.341 -1.874 134 H THR 21 H THR 21 13.851 2.031 -3.171 135 HA THR 21 HA THR 21 12.672 1.923 -0.502 136 HB THR 21 HB THR 21 13.469 4.385 -1.836 137 HG1 THR 21 HG1 THR 21 12.890 5.281 0.023 138 1HG2 THR 21 1HG2 THR 21 11.269 4.372 -3.006 139 2HG2 THR 21 2HG2 THR 21 11.395 5.704 -1.824 140 3HG2 THR 21 3HG2 THR 21 10.408 4.257 -1.418 141 H CYS 22 H CYS 22 10.354 1.665 -0.656 142 HA CYS 22 HA CYS 22 9.277 1.484 -3.357 143 1HB CYS 22 1HB CYS 22 10.460 -0.775 -2.726 144 2HB CYS 22 2HB CYS 22 9.096 -1.016 -1.598 145 H ARG 23 H ARG 23 6.990 1.158 -3.431 146 HA ARG 23 HA ARG 23 5.459 1.550 -1.034 147 1HB ARG 23 1HB ARG 23 6.862 3.836 -1.784 148 2HB ARG 23 2HB ARG 23 5.422 4.016 -2.799 149 1HG ARG 23 1HG ARG 23 4.108 3.666 -0.439 150 2HG ARG 23 2HG ARG 23 5.698 4.017 0.253 151 1HD ARG 23 1HD ARG 23 4.406 6.081 0.108 152 2HD ARG 23 2HD ARG 23 5.687 6.186 -1.194 153 HE ARG 23 HE ARG 23 3.371 4.914 -2.291 154 1HH1 ARG 23 1HH1 ARG 23 4.226 8.109 -0.976 155 2HH1 ARG 23 2HH1 ARG 23 3.151 8.985 -2.003 156 1HH2 ARG 23 1HH2 ARG 23 1.967 6.021 -3.651 157 2HH2 ARG 23 2HH2 ARG 23 1.786 7.745 -3.585 158 H CYS 24 H CYS 24 3.248 1.584 -1.398 159 HA CYS 24 HA CYS 24 2.309 0.651 -3.918 160 1HB CYS 24 1HB CYS 24 0.771 1.485 -1.400 161 2HB CYS 24 2HB CYS 24 0.078 0.578 -2.778 162 H VAL 25 H VAL 25 1.771 1.904 -5.632 163 HA VAL 25 HA VAL 25 1.252 4.668 -5.458 164 HB VAL 25 HB VAL 25 0.842 4.582 -7.847 165 1HG1 VAL 25 1HG1 VAL 25 3.345 3.013 -6.879 166 2HG1 VAL 25 2HG1 VAL 25 3.147 4.806 -6.840 167 3HG1 VAL 25 3HG1 VAL 25 3.191 3.934 -8.417 168 1HG2 VAL 25 1HG2 VAL 25 1.193 2.473 -9.103 169 2HG2 VAL 25 2HG2 VAL 25 -0.199 2.267 -8.002 170 3HG2 VAL 25 3HG2 VAL 25 1.408 1.541 -7.597 171 H ASP 26 H ASP 26 -0.649 1.827 -5.244 172 HA ASP 26 HA ASP 26 -3.157 3.344 -5.582 173 1HB ASP 26 1HB ASP 26 -2.706 1.099 -6.820 174 2HB ASP 26 2HB ASP 26 -2.938 0.301 -5.221 175 HD2 ASP 26 HD2 ASP 26 -5.064 0.524 -4.283 176 H VAL 27 H VAL 27 -4.836 3.079 -3.986 177 HA VAL 27 HA VAL 27 -3.782 3.206 -1.319 178 HB VAL 27 HB VAL 27 -5.640 4.344 -0.748 179 1HG1 VAL 27 1HG1 VAL 27 -6.155 5.947 -2.450 180 2HG1 VAL 27 2HG1 VAL 27 -5.800 4.827 -3.787 181 3HG1 VAL 27 3HG1 VAL 27 -4.451 5.448 -2.755 182 1HG2 VAL 27 1HG2 VAL 27 -7.842 4.207 -2.011 183 2HG2 VAL 27 2HG2 VAL 27 -7.434 2.704 -1.145 184 3HG2 VAL 27 3HG2 VAL 27 -7.202 2.807 -2.938 185 H ARG 28 H ARG 28 -5.110 2.263 0.522 186 HA ARG 28 HA ARG 28 -6.358 -0.290 -0.186 187 1HB ARG 28 1HB ARG 28 -4.707 0.525 2.246 188 2HB ARG 28 2HB ARG 28 -5.854 -0.855 2.323 189 1HG ARG 28 1HG ARG 28 -3.419 -0.607 0.462 190 2HG ARG 28 2HG ARG 28 -3.567 -1.651 1.933 191 1HD ARG 28 1HD ARG 28 -5.241 -1.984 -0.647 192 2HD ARG 28 2HD ARG 28 -3.845 -3.002 -0.130 193 HE ARG 28 HE ARG 28 -5.277 -3.279 2.070 194 1HH1 ARG 28 1HH1 ARG 28 -6.769 -2.953 -1.176 195 2HH1 ARG 28 2HH1 ARG 28 -8.281 -3.619 -0.648 196 1HH2 ARG 28 1HH2 ARG 28 -7.234 -4.085 2.700 197 2HH2 ARG 28 2HH2 ARG 28 -8.574 -4.251 1.579 198 H GLU 29 H GLU 29 -8.092 -0.875 1.192 199 HA GLU 29 HA GLU 29 -10.085 0.979 1.484 200 1HB GLU 29 1HB GLU 29 -9.942 -1.601 1.153 201 2HB GLU 29 2HB GLU 29 -9.964 -1.707 2.928 202 1HG GLU 29 1HG GLU 29 -12.081 -0.142 1.242 203 2HG GLU 29 2HG GLU 29 -12.192 -1.906 1.556 204 HE2 GLU 29 HE2 GLU 29 -12.827 -1.582 4.961 205 H SER 30 H SER 30 -7.617 0.189 3.608 206 HA SER 30 HA SER 30 -8.388 2.045 5.673 207 1HB SER 30 1HB SER 30 -8.287 -1.011 6.195 208 2HB SER 30 2HB SER 30 -8.010 0.158 7.530 209 HG SER 30 HG SER 30 -10.168 -0.507 7.408 210 H CYS 31 H CYS 31 -6.537 1.811 7.520 211 HA CYS 31 HA CYS 31 -4.022 1.237 6.081 212 1HB CYS 31 1HB CYS 31 -4.646 3.606 7.100 213 2HB CYS 31 2HB CYS 31 -4.147 2.833 8.663 214 H HIS 32 H HIS 32 -2.782 -0.447 6.767 215 HA HIS 32 HA HIS 32 -3.519 -1.805 9.266 216 1HB HIS 32 1HB HIS 32 -3.374 -3.125 7.199 217 2HB HIS 32 2HB HIS 32 -1.621 -2.667 7.033 218 HD1 HIS 32 HD1 HIS 32 -3.878 -4.123 9.699 219 HD2 HIS 32 HD2 HIS 32 -0.126 -4.829 7.972 220 HE1 HIS 32 HE1 HIS 32 -2.894 -6.073 10.894 221 HE2 HIS 32 HE2 HIS 32 -0.599 -6.494 9.840 222 H SER 33 H SER 33 -1.210 -2.868 10.081 223 HA SER 33 HA SER 33 -0.175 -0.842 11.611 224 1HB SER 33 1HB SER 33 1.055 -3.646 11.211 225 2HB SER 33 2HB SER 33 1.143 -2.637 12.701 226 HG SER 33 HG SER 33 -0.556 -3.847 13.158 227 H ALA 34 H ALA 34 1.407 -2.514 8.817 228 HA ALA 34 HA ALA 34 3.952 -1.458 9.517 229 1HB ALA 34 1HB ALA 34 4.725 -2.821 7.531 230 2HB ALA 34 2HB ALA 34 3.000 -3.175 7.144 231 3HB ALA 34 3HB ALA 34 3.721 -3.776 8.676 232 H CYS 35 H CYS 35 2.351 0.584 9.093 233 HA CYS 35 HA CYS 35 3.646 1.970 6.817 234 1HB CYS 35 1HB CYS 35 1.242 1.665 6.323 235 2HB CYS 35 2HB CYS 35 0.819 2.305 7.969 236 H ASP 36 H ASP 36 4.148 4.259 7.325 237 HA ASP 36 HA ASP 36 4.283 4.815 10.258 238 1HB ASP 36 1HB ASP 36 5.832 6.042 7.900 239 2HB ASP 36 2HB ASP 36 5.676 6.875 9.482 240 HD2 ASP 36 HD2 ASP 36 5.967 3.504 9.034 241 H LYS 37 H LYS 37 3.532 6.713 7.213 242 HA LYS 37 HA LYS 37 1.712 8.277 8.855 243 1HB LYS 37 1HB LYS 37 3.649 9.340 7.539 244 2HB LYS 37 2HB LYS 37 2.805 8.871 6.063 245 1HG LYS 37 1HG LYS 37 2.269 11.158 6.487 246 2HG LYS 37 2HG LYS 37 0.776 10.236 6.840 247 1HD LYS 37 1HD LYS 37 1.248 10.367 9.300 248 2HD LYS 37 2HD LYS 37 2.864 11.074 8.957 249 1HE LYS 37 1HE LYS 37 1.748 13.122 7.972 250 2HE LYS 37 2HE LYS 37 0.136 12.429 8.443 251 1HZ LYS 37 1HZ LYS 37 0.971 13.917 10.102 252 2HZ LYS 37 2HZ LYS 37 2.414 13.033 10.257 253 3HZ LYS 37 3HZ LYS 37 0.937 12.336 10.718 254 H CYS 38 H CYS 38 -0.200 7.077 8.931 255 HA CYS 38 HA CYS 38 -1.477 6.257 6.442 256 1HB CYS 38 1HB CYS 38 -2.109 6.321 9.438 257 2HB CYS 38 2HB CYS 38 -3.326 5.706 8.254 258 H VAL 39 H VAL 39 -2.184 8.094 5.209 259 HA VAL 39 HA VAL 39 -3.881 9.975 6.701 260 HB VAL 39 HB VAL 39 -3.768 11.405 4.805 261 1HG1 VAL 39 1HG1 VAL 39 -1.355 11.883 4.752 262 2HG1 VAL 39 2HG1 VAL 39 -0.968 10.226 5.323 263 3HG1 VAL 39 3HG1 VAL 39 -1.787 11.394 6.453 264 1HG2 VAL 39 1HG2 VAL 39 -2.156 9.198 3.489 265 2HG2 VAL 39 2HG2 VAL 39 -2.383 10.914 2.916 266 3HG2 VAL 39 3HG2 VAL 39 -3.808 9.813 2.987 267 H CYS 40 H CYS 40 -6.197 10.032 6.103 268 HA CYS 40 HA CYS 40 -7.048 8.031 4.129 269 1HB CYS 40 1HB CYS 40 -7.886 8.224 7.031 270 2HB CYS 40 2HB CYS 40 -8.736 7.243 5.822 271 H ALA 41 H ALA 41 -8.159 9.097 2.765 272 HA ALA 41 HA ALA 41 -9.841 11.325 3.399 273 1HB ALA 41 1HB ALA 41 -8.734 11.018 1.195 274 2HB ALA 41 2HB ALA 41 -10.500 11.365 1.125 275 3HB ALA 41 3HB ALA 41 -9.881 9.681 0.842 276 H TYR 42 H TYR 42 -12.017 11.511 3.481 277 HA TYR 42 HA TYR 42 -13.318 9.315 4.676 278 1HB TYR 42 1HB TYR 42 -15.067 11.017 5.213 279 2HB TYR 42 2HB TYR 42 -13.397 11.588 5.568 280 HD1 TYR 42 HD1 TYR 42 -16.236 11.867 3.095 281 HD2 TYR 42 HD2 TYR 42 -12.491 13.521 4.423 282 HE1 TYR 42 HE1 TYR 42 -16.610 13.870 1.695 283 HE2 TYR 42 HE2 TYR 42 -12.916 15.534 3.099 284 HH TYR 42 HH TYR 42 -14.195 16.502 1.531 285 H SER 43 H SER 43 -12.940 9.758 1.674 286 HA SER 43 HA SER 43 -15.145 10.302 0.235 287 1HB SER 43 1HB SER 43 -12.831 8.478 -0.611 288 2HB SER 43 2HB SER 43 -13.809 9.581 -1.689 289 HG SER 43 HG SER 43 -11.768 10.435 -1.076 290 H ASN 44 H ASN 44 -15.362 8.495 -1.859 291 HA ASN 44 HA ASN 44 -16.594 6.097 -0.764 292 1HB ASN 44 1HB ASN 44 -18.207 8.011 -0.807 293 2HB ASN 44 2HB ASN 44 -17.916 8.224 -2.547 294 1HD2 ASN 44 1HD2 ASN 44 -18.344 6.015 -3.857 295 2HD2 ASN 44 2HD2 ASN 44 -19.720 5.103 -3.351 296 HA PRO 45 HA PRO 45 -15.867 4.210 -1.027 297 1HB PRO 45 1HB PRO 45 -13.739 2.522 -1.547 298 2HB PRO 45 2HB PRO 45 -15.280 2.355 -2.400 299 1HG PRO 45 1HG PRO 45 -12.810 3.900 -3.372 300 2HG PRO 45 2HG PRO 45 -13.716 2.636 -4.275 301 1HD PRO 45 1HD PRO 45 -14.206 5.351 -4.609 302 2HD PRO 45 2HD PRO 45 -15.570 4.145 -4.664 303 HA PRO 46 HA PRO 46 -12.979 6.640 1.215 304 1HB PRO 46 1HB PRO 46 -12.416 5.203 3.497 305 2HB PRO 46 2HB PRO 46 -14.078 5.827 3.166 306 1HG PRO 46 1HG PRO 46 -12.999 3.016 2.552 307 2HG PRO 46 2HG PRO 46 -14.510 3.485 3.458 308 1HD PRO 46 1HD PRO 46 -14.479 2.828 0.754 309 2HD PRO 46 2HD PRO 46 -15.621 4.156 1.441 310 H GLN 47 H GLN 47 -10.646 6.837 1.913 311 HA GLN 47 HA GLN 47 -9.026 4.839 0.445 312 1HB GLN 47 1HB GLN 47 -8.630 7.876 0.496 313 2HB GLN 47 2HB GLN 47 -7.708 6.677 -0.479 314 1HG GLN 47 1HG GLN 47 -10.708 7.312 -0.916 315 2HG GLN 47 2HG GLN 47 -9.354 8.166 -1.733 316 1HE2 GLN 47 1HE2 GLN 47 -10.832 4.933 -1.317 317 2HE2 GLN 47 2HE2 GLN 47 -10.244 4.318 -2.844 318 H CYS 48 H CYS 48 -6.900 4.589 1.245 319 HA CYS 48 HA CYS 48 -5.983 6.317 3.364 320 1HB CYS 48 1HB CYS 48 -6.467 3.317 3.643 321 2HB CYS 48 2HB CYS 48 -5.234 4.189 4.646 322 H GLN 49 H GLN 49 -3.973 6.712 2.988 323 HA GLN 49 HA GLN 49 -2.455 4.964 1.175 324 1HB GLN 49 1HB GLN 49 -3.000 7.965 1.205 325 2HB GLN 49 2HB GLN 49 -1.465 7.326 0.450 326 1HG GLN 49 1HG GLN 49 -2.878 5.889 -1.058 327 2HG GLN 49 2HG GLN 49 -4.354 6.636 -0.323 328 1HE2 GLN 49 1HE2 GLN 49 -5.082 8.524 -1.354 329 2HE2 GLN 49 2HE2 GLN 49 -4.325 9.044 -2.843 330 H CYS 50 H CYS 50 -0.425 4.544 1.717 331 HA CYS 50 HA CYS 50 0.563 5.700 4.239 332 1HB CYS 50 1HB CYS 50 0.829 3.140 3.641 333 2HB CYS 50 2HB CYS 50 2.099 3.684 2.508 334 H TYR 51 H TYR 51 0.898 7.739 3.750 335 HA TYR 51 HA TYR 51 2.050 8.789 1.436 336 1HB TYR 51 1HB TYR 51 1.233 9.829 4.112 337 2HB TYR 51 2HB TYR 51 2.752 10.608 3.584 338 HD1 TYR 51 HD1 TYR 51 2.305 12.696 2.376 339 HD2 TYR 51 HD2 TYR 51 -0.410 9.351 1.914 340 HE1 TYR 51 HE1 TYR 51 1.089 13.908 0.715 341 HE2 TYR 51 HE2 TYR 51 -1.587 10.557 0.191 342 HH TYR 51 HH TYR 51 -1.574 12.364 -1.182 343 H ASP 52 H ASP 52 3.603 7.458 4.105 344 HA ASP 52 HA ASP 52 6.242 8.529 3.385 345 1HB ASP 52 1HB ASP 52 5.569 8.260 5.838 346 2HB ASP 52 2HB ASP 52 5.514 6.470 5.569 347 HD2 ASP 52 HD2 ASP 52 8.778 6.470 6.573 348 H THR 53 H THR 53 8.039 7.237 2.768 349 HA THR 53 HA THR 53 7.474 5.093 1.012 350 HB THR 53 HB THR 53 10.065 4.852 1.061 351 HG1 THR 53 HG1 THR 53 11.114 6.430 2.099 352 1HG2 THR 53 1HG2 THR 53 8.716 7.537 0.294 353 2HG2 THR 53 2HG2 THR 53 8.800 6.056 -0.728 354 3HG2 THR 53 3HG2 THR 53 10.304 6.940 -0.307 355 H HIS 54 H HIS 54 8.529 2.891 1.147 356 HA HIS 54 HA HIS 54 9.090 2.002 3.819 357 1HB HIS 54 1HB HIS 54 6.490 1.676 3.342 358 2HB HIS 54 2HB HIS 54 7.000 0.518 2.076 359 HD1 HIS 54 HD1 HIS 54 6.123 -1.500 2.976 360 HD2 HIS 54 HD2 HIS 54 8.238 0.546 5.953 361 HE1 HIS 54 HE1 HIS 54 6.185 -2.997 4.950 362 HE2 HIS 54 HE2 HIS 54 7.474 -1.741 6.776 363 H LYS 55 H LYS 55 9.196 -0.792 2.868 364 HA LYS 55 HA LYS 55 10.869 -0.653 0.502 365 1HB LYS 55 1HB LYS 55 12.743 -1.741 1.697 366 2HB LYS 55 2HB LYS 55 12.417 -0.064 2.245 367 1HG LYS 55 1HG LYS 55 11.162 -0.940 4.238 368 2HG LYS 55 2HG LYS 55 11.594 -2.622 3.756 369 1HD LYS 55 1HD LYS 55 13.597 -0.334 4.309 370 2HD LYS 55 2HD LYS 55 13.076 -1.536 5.540 371 1HE LYS 55 1HE LYS 55 14.071 -3.395 4.224 372 2HE LYS 55 2HE LYS 55 14.536 -2.255 2.895 373 1HZ LYS 55 1HZ LYS 55 15.467 -2.090 5.710 374 2HZ LYS 55 2HZ LYS 55 15.905 -1.056 4.442 375 3HZ LYS 55 3HZ LYS 55 16.352 -2.692 4.394 376 H PHE 56 H PHE 56 8.409 -1.767 0.449 377 HA PHE 56 HA PHE 56 9.024 -4.480 -0.030 378 1HB PHE 56 1HB PHE 56 8.322 -4.078 2.637 379 2HB PHE 56 2HB PHE 56 6.674 -4.163 1.933 380 HD1 PHE 56 HD1 PHE 56 10.030 -5.905 1.954 381 HD2 PHE 56 HD2 PHE 56 5.759 -6.350 1.610 382 HE1 PHE 56 HE1 PHE 56 10.279 -8.350 1.926 383 HE2 PHE 56 HE2 PHE 56 6.010 -8.789 1.596 384 HZ PHE 56 HZ PHE 56 8.276 -9.813 1.746 385 H CYS 57 H CYS 57 6.841 -5.571 -0.697 386 HA CYS 57 HA CYS 57 4.601 -3.928 -1.131 387 1HB CYS 57 1HB CYS 57 5.811 -3.214 -3.138 388 2HB CYS 57 2HB CYS 57 6.199 -4.907 -3.543 389 H TYR 58 H TYR 58 3.075 -5.218 -0.471 390 HA TYR 58 HA TYR 58 3.377 -8.121 -0.552 391 1HB TYR 58 1HB TYR 58 1.334 -6.199 0.669 392 2HB TYR 58 2HB TYR 58 0.979 -7.934 0.576 393 HD1 TYR 58 HD1 TYR 58 2.375 -9.617 1.800 394 HD2 TYR 58 HD2 TYR 58 3.056 -5.375 2.265 395 HE1 TYR 58 HE1 TYR 58 3.610 -10.040 3.830 396 HE2 TYR 58 HE2 TYR 58 4.357 -5.809 4.251 397 HH TYR 58 HH TYR 58 4.759 -9.122 5.615 398 H LYS 59 H LYS 59 1.626 -9.498 -1.124 399 HA LYS 59 HA LYS 59 0.397 -9.332 -3.613 400 1HB LYS 59 1HB LYS 59 -0.308 -10.928 -1.109 401 2HB LYS 59 2HB LYS 59 -1.025 -11.198 -2.737 402 1HG LYS 59 1HG LYS 59 1.292 -11.686 -3.648 403 2HG LYS 59 2HG LYS 59 1.962 -11.540 -1.992 404 1HD LYS 59 1HD LYS 59 0.357 -13.380 -1.246 405 2HD LYS 59 2HD LYS 59 -0.102 -13.597 -2.976 406 1HE LYS 59 1HE LYS 59 2.306 -14.099 -3.542 407 2HE LYS 59 2HE LYS 59 2.756 -13.870 -1.802 408 1HZ LYS 59 1HZ LYS 59 2.479 -16.159 -2.319 409 2HZ LYS 59 2HZ LYS 59 0.913 -15.916 -2.920 410 3HZ LYS 59 3HZ LYS 59 1.231 -15.685 -1.267 411 H ALA 60 H ALA 60 -1.906 -9.275 -4.102 412 HA ALA 60 HA ALA 60 -3.201 -7.088 -2.820 413 1HB ALA 60 1HB ALA 60 -4.897 -7.427 -4.607 414 2HB ALA 60 2HB ALA 60 -4.085 -8.993 -5.043 415 3HB ALA 60 3HB ALA 60 -3.216 -7.436 -5.263 416 H CYS 61 H CYS 61 -5.045 -6.960 -1.759 417 HA CYS 61 HA CYS 61 -6.270 -9.378 -0.606 418 1HB CYS 61 1HB CYS 61 -6.275 -6.437 0.236 419 2HB CYS 61 2HB CYS 61 -7.609 -7.510 0.732 420 H HIS 62 H HIS 62 -7.624 -10.015 -2.281 421 HA HIS 62 HA HIS 62 -9.693 -8.031 -3.074 422 1HB HIS 62 1HB HIS 62 -8.452 -10.313 -4.717 423 2HB HIS 62 2HB HIS 62 -9.975 -9.518 -5.166 424 HD1 HIS 62 HD1 HIS 62 -8.459 -9.125 -7.318 425 HD2 HIS 62 HD2 HIS 62 -7.710 -6.662 -4.005 426 HE1 HIS 62 HE1 HIS 62 -7.307 -7.076 -8.167 427 HE2 HIS 62 HE2 HIS 62 -6.818 -5.620 -6.148 428 H ASN 63 H ASN 63 -11.854 -8.918 -3.288 429 HA ASN 63 HA ASN 63 -12.432 -10.980 -1.423 430 1HB ASN 63 1HB ASN 63 -14.279 -9.714 -3.536 431 2HB ASN 63 2HB ASN 63 -14.813 -10.744 -2.184 432 1HD2 ASN 63 1HD2 ASN 63 -13.624 -9.825 0.099 433 2HD2 ASN 63 2HD2 ASN 63 -14.007 -8.156 0.306 434 H SER 64 H SER 64 -12.695 -10.806 -4.935 435 HA SER 64 HA SER 64 -12.881 -13.726 -5.097 436 1HB SER 64 1HB SER 64 -12.793 -11.663 -7.360 437 2HB SER 64 2HB SER 64 -13.138 -13.423 -7.549 438 HG SER 64 HG SER 64 -14.684 -11.394 -6.314 439 H GLU 65 H GLU 65 -10.460 -12.896 -3.971 440 HA GLU 65 HA GLU 65 -8.295 -12.846 -5.722 441 1HB GLU 65 1HB GLU 65 -6.876 -13.171 -3.864 442 2HB GLU 65 2HB GLU 65 -8.266 -12.226 -3.303 443 1HG GLU 65 1HG GLU 65 -9.270 -14.464 -2.359 444 2HG GLU 65 2HG GLU 65 -7.681 -15.214 -2.726 445 HE2 GLU 65 HE2 GLU 65 -5.853 -14.089 -1.851 446 H ILE 66 H ILE 66 -10.287 -15.394 -5.087 447 HA ILE 66 HA ILE 66 -8.768 -17.345 -6.545 448 HB ILE 66 HB ILE 66 -9.097 -19.126 -4.808 449 1HG1 ILE 66 1HG1 ILE 66 -9.431 -16.822 -2.792 450 2HG1 ILE 66 2HG1 ILE 66 -10.798 -17.807 -3.412 451 1HG2 ILE 66 1HG2 ILE 66 -7.150 -16.896 -3.968 452 2HG2 ILE 66 2HG2 ILE 66 -6.878 -18.063 -5.310 453 3HG2 ILE 66 3HG2 ILE 66 -7.020 -18.653 -3.617 454 1HD1 ILE 66 1HD1 ILE 66 -8.371 -18.884 -1.832 455 2HD1 ILE 66 2HD1 ILE 66 -9.683 -19.896 -2.542 456 3HD1 ILE 66 3HD1 ILE 66 -10.061 -18.703 -1.246 457 H GLU 67 H GLU 67 -10.189 -19.445 -6.796 458 HA GLU 67 HA GLU 67 -12.856 -19.295 -6.091 459 1HB GLU 67 1HB GLU 67 -13.778 -19.485 -8.396 460 2HB GLU 67 2HB GLU 67 -13.182 -17.837 -8.075 461 1HG GLU 67 1HG GLU 67 -11.633 -20.038 -9.639 462 2HG GLU 67 2HG GLU 67 -12.631 -18.758 -10.415 463 HE2 GLU 67 HE2 GLU 67 -11.999 -16.632 -9.074 Start of MODEL 17 1 1H GLY 1 1H GLY 1 -6.324 -20.884 4.973 2 2H GLY 1 2H GLY 1 -6.226 -19.704 3.759 3 3H GLY 1 3H GLY 1 -7.728 -20.091 4.442 4 1HA GLY 1 1HA GLY 1 -6.883 -19.333 6.591 5 2HA GLY 1 2HA GLY 1 -5.454 -18.694 5.669 6 H ASP 2 H ASP 2 -7.696 -17.339 7.236 7 HA ASP 2 HA ASP 2 -8.144 -15.237 5.328 8 1HB ASP 2 1HB ASP 2 -10.110 -17.370 5.451 9 2HB ASP 2 2HB ASP 2 -10.844 -16.016 6.354 10 HD2 ASP 2 HD2 ASP 2 -9.037 -16.693 3.494 11 H ASP 3 H ASP 3 -7.402 -16.109 8.326 12 HA ASP 3 HA ASP 3 -8.211 -13.523 9.402 13 1HB ASP 3 1HB ASP 3 -9.607 -15.464 10.362 14 2HB ASP 3 2HB ASP 3 -8.088 -16.192 10.990 15 HD2 ASP 3 HD2 ASP 3 -6.998 -15.027 12.517 16 H VAL 4 H VAL 4 -6.134 -13.553 8.020 17 HA VAL 4 HA VAL 4 -3.767 -14.025 9.721 18 HB VAL 4 HB VAL 4 -3.839 -13.668 6.685 19 1HG1 VAL 4 1HG1 VAL 4 -1.524 -14.676 6.867 20 2HG1 VAL 4 2HG1 VAL 4 -1.691 -14.692 8.655 21 3HG1 VAL 4 3HG1 VAL 4 -1.635 -13.135 7.768 22 1HG2 VAL 4 1HG2 VAL 4 -3.387 -16.184 6.603 23 2HG2 VAL 4 2HG2 VAL 4 -5.042 -15.805 7.182 24 3HG2 VAL 4 3HG2 VAL 4 -3.762 -16.283 8.359 25 H LYS 5 H LYS 5 -2.419 -12.135 10.070 26 HA LYS 5 HA LYS 5 -3.850 -9.647 9.479 27 1HB LYS 5 1HB LYS 5 -1.714 -10.434 11.526 28 2HB LYS 5 2HB LYS 5 -2.303 -8.761 11.321 29 1HG LYS 5 1HG LYS 5 -4.665 -9.560 11.757 30 2HG LYS 5 2HG LYS 5 -4.010 -11.176 12.175 31 1HD LYS 5 1HD LYS 5 -2.636 -10.188 13.998 32 2HD LYS 5 2HD LYS 5 -3.129 -8.529 13.504 33 1HE LYS 5 1HE LYS 5 -5.524 -9.067 14.097 34 2HE LYS 5 2HE LYS 5 -4.998 -10.704 14.674 35 1HZ LYS 5 1HZ LYS 5 -4.020 -8.083 15.686 36 2HZ LYS 5 2HZ LYS 5 -3.538 -9.616 16.239 37 3HZ LYS 5 3HZ LYS 5 -5.144 -9.104 16.446 38 H SER 6 H SER 6 -2.002 -11.145 7.673 39 HA SER 6 HA SER 6 0.271 -9.608 7.107 40 1HB SER 6 1HB SER 6 -1.485 -11.054 5.064 41 2HB SER 6 2HB SER 6 0.181 -10.408 4.777 42 HG SER 6 HG SER 6 0.572 -12.457 5.344 43 H ALA 7 H ALA 7 0.578 -7.575 6.316 44 HA ALA 7 HA ALA 7 -1.568 -6.033 5.230 45 1HB ALA 7 1HB ALA 7 1.489 -5.668 5.023 46 2HB ALA 7 2HB ALA 7 0.437 -4.974 6.309 47 3HB ALA 7 3HB ALA 7 0.270 -4.409 4.607 48 H CYS 8 H CYS 8 -1.693 -5.219 3.009 49 HA CYS 8 HA CYS 8 -0.628 -7.119 1.013 50 1HB CYS 8 1HB CYS 8 -2.804 -7.309 -0.046 51 2HB CYS 8 2HB CYS 8 -2.890 -7.831 1.663 52 H CYS 9 H CYS 9 -0.682 -6.329 -1.230 53 HA CYS 9 HA CYS 9 -1.267 -3.530 -1.608 54 1HB CYS 9 1HB CYS 9 1.048 -3.343 -0.696 55 2HB CYS 9 2HB CYS 9 1.589 -4.633 -1.814 56 H ASP 10 H ASP 10 -2.039 -3.333 -3.729 57 HA ASP 10 HA ASP 10 -1.831 -5.683 -5.431 58 1HB ASP 10 1HB ASP 10 -3.400 -3.078 -5.373 59 2HB ASP 10 2HB ASP 10 -3.397 -4.041 -6.841 60 HD2 ASP 10 HD2 ASP 10 -6.064 -5.698 -5.581 61 H THR 11 H THR 11 -0.155 -2.629 -5.262 62 HA THR 11 HA THR 11 1.433 -3.361 -7.556 63 HB THR 11 HB THR 11 -0.308 -0.851 -7.671 64 HG1 THR 11 HG1 THR 11 -0.814 -3.157 -8.563 65 1HG2 THR 11 1HG2 THR 11 0.962 -0.438 -9.859 66 2HG2 THR 11 2HG2 THR 11 2.080 -1.789 -9.425 67 3HG2 THR 11 3HG2 THR 11 2.035 -0.284 -8.436 68 H CYS 12 H CYS 12 3.224 -3.318 -6.541 69 HA CYS 12 HA CYS 12 3.956 -1.184 -4.712 70 1HB CYS 12 1HB CYS 12 5.438 -3.644 -5.795 71 2HB CYS 12 2HB CYS 12 6.137 -2.492 -4.564 72 H LEU 13 H LEU 13 4.608 0.756 -5.534 73 HA LEU 13 HA LEU 13 6.089 0.809 -8.067 74 1HB LEU 13 1HB LEU 13 4.398 2.415 -7.861 75 2HB LEU 13 2HB LEU 13 4.940 2.967 -6.240 76 HG LEU 13 HG LEU 13 6.744 3.214 -8.722 77 1HD1 LEU 13 1HD1 LEU 13 4.529 5.188 -7.863 78 2HD1 LEU 13 2HD1 LEU 13 4.484 4.122 -9.316 79 3HD1 LEU 13 3HD1 LEU 13 5.724 5.425 -9.192 80 1HD2 LEU 13 1HD2 LEU 13 6.414 4.950 -6.175 81 2HD2 LEU 13 2HD2 LEU 13 7.543 5.295 -7.535 82 3HD2 LEU 13 3HD2 LEU 13 7.793 3.842 -6.509 83 H CYS 14 H CYS 14 8.157 0.441 -8.015 84 HA CYS 14 HA CYS 14 9.669 1.055 -5.587 85 1HB CYS 14 1HB CYS 14 10.454 -0.572 -8.007 86 2HB CYS 14 2HB CYS 14 11.555 -0.142 -6.679 87 H THR 15 H THR 15 11.068 2.623 -5.338 88 HA THR 15 HA THR 15 10.896 4.742 -7.314 89 HB THR 15 HB THR 15 12.154 6.113 -5.782 90 HG1 THR 15 HG1 THR 15 12.455 5.185 -3.648 91 1HG2 THR 15 1HG2 THR 15 9.651 5.791 -5.576 92 2HG2 THR 15 2HG2 THR 15 10.414 6.164 -3.987 93 3HG2 THR 15 3HG2 THR 15 9.915 4.477 -4.372 94 H ARG 16 H ARG 16 12.614 5.683 -8.462 95 HA ARG 16 HA ARG 16 15.077 4.138 -8.631 96 1HB ARG 16 1HB ARG 16 14.477 6.633 -10.230 97 2HB ARG 16 2HB ARG 16 15.728 5.376 -10.489 98 1HG ARG 16 1HG ARG 16 13.550 3.758 -10.601 99 2HG ARG 16 2HG ARG 16 12.748 5.301 -11.048 100 1HD ARG 16 1HD ARG 16 13.365 4.355 -13.135 101 2HD ARG 16 2HD ARG 16 14.719 5.524 -12.839 102 HE ARG 16 HE ARG 16 15.396 2.995 -11.641 103 1HH1 ARG 16 1HH1 ARG 16 14.916 4.408 -14.886 104 2HH1 ARG 16 2HH1 ARG 16 15.823 3.171 -15.696 105 1HH2 ARG 16 1HH2 ARG 16 16.554 1.322 -12.766 106 2HH2 ARG 16 2HH2 ARG 16 16.763 1.409 -14.484 107 H SER 17 H SER 17 14.478 5.263 -6.149 108 HA SER 17 HA SER 17 16.066 7.575 -5.630 109 1HB SER 17 1HB SER 17 14.167 6.624 -4.150 110 2HB SER 17 2HB SER 17 15.425 5.552 -3.454 111 HG SER 17 HG SER 17 15.168 7.453 -2.309 112 H GLN 18 H GLN 18 17.580 6.783 -3.384 113 HA GLN 18 HA GLN 18 19.668 4.961 -4.309 114 1HB GLN 18 1HB GLN 18 20.171 7.916 -3.650 115 2HB GLN 18 2HB GLN 18 21.448 6.664 -3.812 116 1HG GLN 18 1HG GLN 18 21.635 7.671 -5.881 117 2HG GLN 18 2HG GLN 18 20.498 6.334 -6.286 118 1HE2 GLN 18 1HE2 GLN 18 19.362 7.358 -7.961 119 2HE2 GLN 18 2HE2 GLN 18 18.444 8.842 -7.737 120 HA PRO 19 HA PRO 19 19.840 3.140 -3.320 121 1HB PRO 19 1HB PRO 19 19.073 1.228 -1.491 122 2HB PRO 19 2HB PRO 19 20.731 2.000 -1.426 123 1HG PRO 19 1HG PRO 19 18.228 2.791 0.179 124 2HG PRO 19 2HG PRO 19 19.891 2.421 0.802 125 1HD PRO 19 1HD PRO 19 19.001 5.017 0.245 126 2HD PRO 19 2HD PRO 19 20.740 4.529 0.011 127 HA PRO 20 HA PRO 20 15.537 3.356 -4.254 128 1HB PRO 20 1HB PRO 20 14.996 1.048 -5.657 129 2HB PRO 20 2HB PRO 20 16.178 2.270 -6.270 130 1HG PRO 20 1HG PRO 20 16.808 -0.261 -4.656 131 2HG PRO 20 2HG PRO 20 17.514 0.252 -6.251 132 1HD PRO 20 1HD PRO 20 18.757 0.801 -3.829 133 2HD PRO 20 2HD PRO 20 18.797 2.011 -5.205 134 H THR 21 H THR 21 13.369 2.572 -3.793 135 HA THR 21 HA THR 21 13.089 0.476 -1.787 136 HB THR 21 HB THR 21 14.132 2.547 -0.651 137 HG1 THR 21 HG1 THR 21 11.692 1.594 0.488 138 1HG2 THR 21 1HG2 THR 21 12.531 4.277 0.125 139 2HG2 THR 21 2HG2 THR 21 11.251 3.620 -0.958 140 3HG2 THR 21 3HG2 THR 21 12.756 4.330 -1.648 141 H CYS 22 H CYS 22 10.551 0.659 -0.971 142 HA CYS 22 HA CYS 22 9.077 1.537 -3.391 143 1HB CYS 22 1HB CYS 22 8.901 -1.315 -2.257 144 2HB CYS 22 2HB CYS 22 8.145 -0.744 -3.748 145 H ARG 23 H ARG 23 6.765 1.150 -3.299 146 HA ARG 23 HA ARG 23 5.422 0.928 -0.830 147 1HB ARG 23 1HB ARG 23 4.791 3.434 -0.609 148 2HB ARG 23 2HB ARG 23 6.387 2.942 -0.065 149 1HG ARG 23 1HG ARG 23 6.798 4.932 -1.110 150 2HG ARG 23 2HG ARG 23 7.380 3.735 -2.312 151 1HD ARG 23 1HD ARG 23 6.145 5.607 -3.420 152 2HD ARG 23 2HD ARG 23 5.169 4.073 -3.575 153 HE ARG 23 HE ARG 23 4.635 5.567 -1.110 154 1HH1 ARG 23 1HH1 ARG 23 3.644 5.394 -4.538 155 2HH1 ARG 23 2HH1 ARG 23 1.969 5.595 -4.161 156 1HH2 ARG 23 1HH2 ARG 23 2.561 5.839 -0.653 157 2HH2 ARG 23 2HH2 ARG 23 1.295 5.874 -1.860 158 H CYS 24 H CYS 24 3.138 1.842 -1.069 159 HA CYS 24 HA CYS 24 2.403 0.400 -3.538 160 1HB CYS 24 1HB CYS 24 1.786 -0.347 -1.083 161 2HB CYS 24 2HB CYS 24 0.538 0.928 -1.156 162 H VAL 25 H VAL 25 1.621 1.531 -5.297 163 HA VAL 25 HA VAL 25 0.482 4.115 -4.988 164 HB VAL 25 HB VAL 25 -0.239 4.047 -7.301 165 1HG1 VAL 25 1HG1 VAL 25 2.081 3.832 -8.251 166 2HG1 VAL 25 2HG1 VAL 25 2.622 3.059 -6.716 167 3HG1 VAL 25 3HG1 VAL 25 2.051 4.777 -6.729 168 1HG2 VAL 25 1HG2 VAL 25 0.481 2.096 -8.728 169 2HG2 VAL 25 2HG2 VAL 25 -0.838 1.651 -7.616 170 3HG2 VAL 25 3HG2 VAL 25 0.873 1.157 -7.254 171 H ASP 26 H ASP 26 -0.827 0.970 -4.709 172 HA ASP 26 HA ASP 26 -3.573 1.931 -5.019 173 1HB ASP 26 1HB ASP 26 -2.460 -0.851 -4.399 174 2HB ASP 26 2HB ASP 26 -4.193 -0.440 -4.114 175 HD2 ASP 26 HD2 ASP 26 -2.418 0.972 -6.627 176 H VAL 27 H VAL 27 -5.076 2.214 -3.549 177 HA VAL 27 HA VAL 27 -4.150 2.697 -0.808 178 HB VAL 27 HB VAL 27 -5.640 4.495 -0.707 179 1HG1 VAL 27 1HG1 VAL 27 -4.868 5.910 -2.536 180 2HG1 VAL 27 2HG1 VAL 27 -4.487 4.501 -3.574 181 3HG1 VAL 27 3HG1 VAL 27 -3.531 4.801 -2.071 182 1HG2 VAL 27 1HG2 VAL 27 -6.950 3.327 -3.247 183 2HG2 VAL 27 2HG2 VAL 27 -7.182 5.017 -2.695 184 3HG2 VAL 27 3HG2 VAL 27 -7.690 3.664 -1.625 185 H ARG 28 H ARG 28 -5.910 2.585 0.836 186 HA ARG 28 HA ARG 28 -7.483 0.113 0.375 187 1HB ARG 28 1HB ARG 28 -6.055 1.312 2.773 188 2HB ARG 28 2HB ARG 28 -7.216 -0.083 2.895 189 1HG ARG 28 1HG ARG 28 -5.712 -1.526 1.675 190 2HG ARG 28 2HG ARG 28 -4.648 -0.138 1.226 191 1HD ARG 28 1HD ARG 28 -3.652 -1.403 3.192 192 2HD ARG 28 2HD ARG 28 -4.108 0.304 3.562 193 HE ARG 28 HE ARG 28 -5.858 -0.371 4.931 194 1HH1 ARG 28 1HH1 ARG 28 -4.611 -3.352 3.323 195 2HH1 ARG 28 2HH1 ARG 28 -5.561 -4.386 4.329 196 1HH2 ARG 28 1HH2 ARG 28 -7.092 -1.819 6.208 197 2HH2 ARG 28 2HH2 ARG 28 -6.958 -3.529 5.963 198 H GLU 29 H GLU 29 -9.468 -0.058 1.422 199 HA GLU 29 HA GLU 29 -11.220 2.115 1.661 200 1HB GLU 29 1HB GLU 29 -11.228 -0.829 1.900 201 2HB GLU 29 2HB GLU 29 -12.393 -0.028 3.001 202 1HG GLU 29 1HG GLU 29 -13.317 1.304 1.039 203 2HG GLU 29 2HG GLU 29 -12.237 0.359 -0.055 204 HE2 GLU 29 HE2 GLU 29 -14.782 0.143 2.268 205 H SER 30 H SER 30 -8.963 0.922 3.714 206 HA SER 30 HA SER 30 -9.800 2.368 6.094 207 1HB SER 30 1HB SER 30 -9.383 -0.729 6.048 208 2HB SER 30 2HB SER 30 -9.654 0.232 7.542 209 HG SER 30 HG SER 30 -11.571 -0.627 7.019 210 H CYS 31 H CYS 31 -7.826 1.347 7.910 211 HA CYS 31 HA CYS 31 -5.434 1.009 6.187 212 1HB CYS 31 1HB CYS 31 -5.790 3.345 7.232 213 2HB CYS 31 2HB CYS 31 -5.340 2.545 8.807 214 H HIS 32 H HIS 32 -3.575 -0.107 7.280 215 HA HIS 32 HA HIS 32 -4.171 -1.568 9.657 216 1HB HIS 32 1HB HIS 32 -5.194 -3.064 8.002 217 2HB HIS 32 2HB HIS 32 -3.645 -3.079 7.037 218 HD1 HIS 32 HD1 HIS 32 -4.844 -3.756 10.577 219 HD2 HIS 32 HD2 HIS 32 -2.427 -5.574 7.679 220 HE1 HIS 32 HE1 HIS 32 -3.970 -5.852 11.587 221 HE2 HIS 32 HE2 HIS 32 -2.490 -6.955 9.805 222 H SER 33 H SER 33 -2.215 -2.711 10.356 223 HA SER 33 HA SER 33 -0.115 -1.070 10.487 224 1HB SER 33 1HB SER 33 0.040 -4.131 10.857 225 2HB SER 33 2HB SER 33 0.993 -2.886 11.750 226 HG SER 33 HG SER 33 -0.825 -3.737 12.899 227 H ALA 34 H ALA 34 1.249 -0.415 8.857 228 HA ALA 34 HA ALA 34 3.108 -2.403 8.011 229 1HB ALA 34 1HB ALA 34 1.599 -2.571 6.128 230 2HB ALA 34 2HB ALA 34 3.038 -1.657 5.567 231 3HB ALA 34 3HB ALA 34 1.469 -0.803 5.953 232 H CYS 35 H CYS 35 2.378 1.068 7.167 233 HA CYS 35 HA CYS 35 4.980 1.799 8.255 234 1HB CYS 35 1HB CYS 35 4.779 3.739 6.759 235 2HB CYS 35 2HB CYS 35 4.585 2.172 5.887 236 H ASP 36 H ASP 36 4.811 4.227 8.985 237 HA ASP 36 HA ASP 36 2.766 4.201 11.109 238 1HB ASP 36 1HB ASP 36 5.517 4.248 11.217 239 2HB ASP 36 2HB ASP 36 5.243 6.008 11.114 240 HD2 ASP 36 HD2 ASP 36 3.311 6.512 12.534 241 H LYS 37 H LYS 37 2.840 5.488 8.155 242 HA LYS 37 HA LYS 37 1.715 8.081 8.961 243 1HB LYS 37 1HB LYS 37 4.189 8.028 8.160 244 2HB LYS 37 2HB LYS 37 3.544 7.578 6.569 245 1HG LYS 37 1HG LYS 37 2.204 9.705 6.530 246 2HG LYS 37 2HG LYS 37 2.808 10.107 8.166 247 1HD LYS 37 1HD LYS 37 5.142 10.255 7.340 248 2HD LYS 37 2HD LYS 37 4.646 9.682 5.712 249 1HE LYS 37 1HE LYS 37 3.241 11.765 5.412 250 2HE LYS 37 2HE LYS 37 3.805 12.357 7.026 251 1HZ LYS 37 1HZ LYS 37 5.040 13.248 5.153 252 2HZ LYS 37 2HZ LYS 37 5.576 11.695 4.731 253 3HZ LYS 37 3HZ LYS 37 6.036 12.374 6.218 254 H CYS 38 H CYS 38 -0.263 6.589 8.756 255 HA CYS 38 HA CYS 38 -1.140 6.249 6.015 256 1HB CYS 38 1HB CYS 38 -1.458 4.684 8.068 257 2HB CYS 38 2HB CYS 38 -2.774 5.808 8.560 258 H VAL 39 H VAL 39 -1.902 7.989 4.878 259 HA VAL 39 HA VAL 39 -3.326 10.133 6.319 260 HB VAL 39 HB VAL 39 -1.615 9.981 3.812 261 1HG1 VAL 39 1HG1 VAL 39 -1.758 12.500 3.871 262 2HG1 VAL 39 2HG1 VAL 39 -2.965 12.381 5.206 263 3HG1 VAL 39 3HG1 VAL 39 -3.361 11.733 3.554 264 1HG2 VAL 39 1HG2 VAL 39 -0.048 11.482 5.116 265 2HG2 VAL 39 2HG2 VAL 39 -0.208 9.838 5.845 266 3HG2 VAL 39 3HG2 VAL 39 -1.088 11.245 6.571 267 H CYS 40 H CYS 40 -5.467 10.637 5.270 268 HA CYS 40 HA CYS 40 -6.195 8.713 3.173 269 1HB CYS 40 1HB CYS 40 -6.119 7.614 5.380 270 2HB CYS 40 2HB CYS 40 -7.328 8.784 5.990 271 H ALA 41 H ALA 41 -7.342 9.546 1.758 272 HA ALA 41 HA ALA 41 -8.536 12.145 2.087 273 1HB ALA 41 1HB ALA 41 -9.209 11.961 -0.258 274 2HB ALA 41 2HB ALA 41 -8.691 10.223 -0.280 275 3HB ALA 41 3HB ALA 41 -7.475 11.532 -0.049 276 H TYR 42 H TYR 42 -10.607 12.745 2.097 277 HA TYR 42 HA TYR 42 -12.327 10.921 3.418 278 1HB TYR 42 1HB TYR 42 -13.618 12.870 4.085 279 2HB TYR 42 2HB TYR 42 -11.853 13.177 4.261 280 HD1 TYR 42 HD1 TYR 42 -10.652 14.635 2.503 281 HD2 TYR 42 HD2 TYR 42 -14.944 14.284 2.640 282 HE1 TYR 42 HE1 TYR 42 -10.862 16.575 1.057 283 HE2 TYR 42 HE2 TYR 42 -15.140 16.260 1.189 284 HH TYR 42 HH TYR 42 -12.301 18.169 0.218 285 H SER 43 H SER 43 -11.945 10.430 0.753 286 HA SER 43 HA SER 43 -13.848 11.207 -1.073 287 1HB SER 43 1HB SER 43 -12.219 8.644 -1.116 288 2HB SER 43 2HB SER 43 -12.939 9.537 -2.560 289 HG SER 43 HG SER 43 -10.716 10.020 -2.265 290 H ASN 44 H ASN 44 -14.337 8.294 -2.074 291 HA ASN 44 HA ASN 44 -16.636 7.607 -0.478 292 1HB ASN 44 1HB ASN 44 -17.192 9.468 -2.113 293 2HB ASN 44 2HB ASN 44 -16.643 8.443 -3.450 294 1HD2 ASN 44 1HD2 ASN 44 -18.065 6.419 -3.895 295 2HD2 ASN 44 2HD2 ASN 44 -19.732 6.520 -3.425 296 HA PRO 45 HA PRO 45 -16.099 6.059 0.786 297 1HB PRO 45 1HB PRO 45 -15.079 3.666 1.682 298 2HB PRO 45 2HB PRO 45 -16.658 3.730 0.905 299 1HG PRO 45 1HG PRO 45 -13.964 3.107 -0.442 300 2HG PRO 45 2HG PRO 45 -15.438 2.072 -0.461 301 1HD PRO 45 1HD PRO 45 -14.838 3.882 -2.482 302 2HD PRO 45 2HD PRO 45 -16.562 3.587 -1.974 303 HA PRO 46 HA PRO 46 -12.231 7.803 1.334 304 1HB PRO 46 1HB PRO 46 -11.048 7.195 3.777 305 2HB PRO 46 2HB PRO 46 -12.561 8.157 3.614 306 1HG PRO 46 1HG PRO 46 -12.360 5.135 4.111 307 2HG PRO 46 2HG PRO 46 -13.278 6.396 5.064 308 1HD PRO 46 1HD PRO 46 -14.510 4.901 3.145 309 2HD PRO 46 2HD PRO 46 -14.834 6.745 3.261 310 H GLN 47 H GLN 47 -9.860 7.781 1.321 311 HA GLN 47 HA GLN 47 -8.902 5.223 0.167 312 1HB GLN 47 1HB GLN 47 -8.759 8.047 -0.984 313 2HB GLN 47 2HB GLN 47 -7.971 6.608 -1.696 314 1HG GLN 47 1HG GLN 47 -11.033 6.827 -1.263 315 2HG GLN 47 2HG GLN 47 -10.217 7.371 -2.754 316 1HE2 GLN 47 1HE2 GLN 47 -10.875 4.494 -0.739 317 2HE2 GLN 47 2HE2 GLN 47 -10.649 3.347 -2.042 318 H CYS 48 H CYS 48 -7.674 4.650 1.744 319 HA CYS 48 HA CYS 48 -5.906 6.555 3.048 320 1HB CYS 48 1HB CYS 48 -6.450 3.653 3.706 321 2HB CYS 48 2HB CYS 48 -5.350 4.768 4.601 322 H GLN 49 H GLN 49 -3.894 7.008 2.563 323 HA GLN 49 HA GLN 49 -2.453 5.144 0.825 324 1HB GLN 49 1HB GLN 49 -2.191 8.135 1.433 325 2HB GLN 49 2HB GLN 49 -1.001 7.209 0.451 326 1HG GLN 49 1HG GLN 49 -2.218 8.226 -1.229 327 2HG GLN 49 2HG GLN 49 -2.957 6.599 -1.137 328 1HE2 GLN 49 1HE2 GLN 49 -3.523 9.636 0.785 329 2HE2 GLN 49 2HE2 GLN 49 -5.230 9.679 0.416 330 H CYS 50 H CYS 50 -0.548 4.370 1.450 331 HA CYS 50 HA CYS 50 0.624 5.224 4.055 332 1HB CYS 50 1HB CYS 50 0.631 2.743 3.485 333 2HB CYS 50 2HB CYS 50 1.512 3.123 1.985 334 H TYR 51 H TYR 51 1.306 7.237 3.781 335 HA TYR 51 HA TYR 51 2.443 8.365 1.473 336 1HB TYR 51 1HB TYR 51 2.078 9.165 4.341 337 2HB TYR 51 2HB TYR 51 3.549 9.852 3.626 338 HD1 TYR 51 HD1 TYR 51 3.177 12.086 2.775 339 HD2 TYR 51 HD2 TYR 51 0.031 9.131 2.378 340 HE1 TYR 51 HE1 TYR 51 1.834 13.660 1.602 341 HE2 TYR 51 HE2 TYR 51 -1.303 10.734 1.186 342 HH TYR 51 HH TYR 51 -1.417 12.834 0.273 343 H ASP 52 H ASP 52 3.949 6.671 4.017 344 HA ASP 52 HA ASP 52 6.621 7.569 3.192 345 1HB ASP 52 1HB ASP 52 5.672 7.464 5.665 346 2HB ASP 52 2HB ASP 52 6.074 5.720 5.568 347 HD2 ASP 52 HD2 ASP 52 8.767 7.914 6.888 348 H THR 53 H THR 53 8.410 6.035 3.033 349 HA THR 53 HA THR 53 7.757 3.989 1.157 350 HB THR 53 HB THR 53 10.336 3.653 1.219 351 HG1 THR 53 HG1 THR 53 10.750 4.717 3.170 352 1HG2 THR 53 1HG2 THR 53 9.058 4.911 -0.548 353 2HG2 THR 53 2HG2 THR 53 10.591 5.747 -0.133 354 3HG2 THR 53 3HG2 THR 53 9.039 6.380 0.503 355 H HIS 54 H HIS 54 8.869 1.780 1.273 356 HA HIS 54 HA HIS 54 9.169 0.755 3.929 357 1HB HIS 54 1HB HIS 54 6.625 0.545 2.778 358 2HB HIS 54 2HB HIS 54 7.416 -0.869 2.012 359 HD1 HIS 54 HD1 HIS 54 6.466 -2.724 3.016 360 HD2 HIS 54 HD2 HIS 54 7.272 0.138 5.974 361 HE1 HIS 54 HE1 HIS 54 5.776 -3.722 5.204 362 HE2 HIS 54 HE2 HIS 54 6.231 -1.956 6.983 363 H LYS 55 H LYS 55 10.005 -1.561 3.659 364 HA LYS 55 HA LYS 55 11.418 -1.874 1.103 365 1HB LYS 55 1HB LYS 55 13.266 -2.870 2.340 366 2HB LYS 55 2HB LYS 55 12.966 -1.188 2.856 367 1HG LYS 55 1HG LYS 55 11.956 -1.857 4.929 368 2HG LYS 55 2HG LYS 55 11.918 -3.602 4.453 369 1HD LYS 55 1HD LYS 55 14.520 -1.968 4.733 370 2HD LYS 55 2HD LYS 55 13.753 -2.853 6.095 371 1HE LYS 55 1HE LYS 55 13.927 -5.015 4.835 372 2HE LYS 55 2HE LYS 55 14.738 -4.156 3.466 373 1HZ LYS 55 1HZ LYS 55 16.315 -5.184 4.962 374 2HZ LYS 55 2HZ LYS 55 15.725 -4.282 6.274 375 3HZ LYS 55 3HZ LYS 55 16.485 -3.496 4.978 376 H PHE 56 H PHE 56 8.764 -2.826 1.722 377 HA PHE 56 HA PHE 56 9.244 -5.629 1.173 378 1HB PHE 56 1HB PHE 56 8.774 -5.061 3.816 379 2HB PHE 56 2HB PHE 56 7.071 -5.146 3.266 380 HD1 PHE 56 HD1 PHE 56 6.276 -7.307 2.140 381 HD2 PHE 56 HD2 PHE 56 10.158 -6.973 3.971 382 HE1 PHE 56 HE1 PHE 56 6.396 -9.750 2.314 383 HE2 PHE 56 HE2 PHE 56 10.278 -9.420 4.151 384 HZ PHE 56 HZ PHE 56 8.395 -10.833 3.339 385 H CYS 57 H CYS 57 7.883 -6.386 -0.309 386 HA CYS 57 HA CYS 57 5.420 -4.900 -0.954 387 1HB CYS 57 1HB CYS 57 7.189 -4.867 -2.780 388 2HB CYS 57 2HB CYS 57 7.167 -6.651 -2.768 389 H TYR 58 H TYR 58 3.608 -6.006 -0.680 390 HA TYR 58 HA TYR 58 3.776 -8.844 0.157 391 1HB TYR 58 1HB TYR 58 1.828 -6.539 0.742 392 2HB TYR 58 2HB TYR 58 1.403 -8.232 1.094 393 HD1 TYR 58 HD1 TYR 58 2.934 -9.637 2.571 394 HD2 TYR 58 HD2 TYR 58 3.186 -5.335 2.402 395 HE1 TYR 58 HE1 TYR 58 4.109 -9.641 4.666 396 HE2 TYR 58 HE2 TYR 58 4.365 -5.344 4.537 397 HH TYR 58 HH TYR 58 5.019 -8.398 6.316 398 H LYS 59 H LYS 59 1.887 -10.142 -0.238 399 HA LYS 59 HA LYS 59 0.913 -10.449 -2.808 400 1HB LYS 59 1HB LYS 59 -0.309 -11.146 -0.106 401 2HB LYS 59 2HB LYS 59 -0.943 -11.773 -1.669 402 1HG LYS 59 1HG LYS 59 1.168 -13.019 -2.073 403 2HG LYS 59 2HG LYS 59 1.923 -12.285 -0.639 404 1HD LYS 59 1HD LYS 59 -0.077 -13.277 0.732 405 2HD LYS 59 2HD LYS 59 -0.317 -14.361 -0.676 406 1HE LYS 59 1HE LYS 59 2.288 -13.997 0.976 407 2HE LYS 59 2HE LYS 59 1.140 -15.391 1.107 408 1HZ LYS 59 1HZ LYS 59 1.627 -15.949 -1.165 409 2HZ LYS 59 2HZ LYS 59 3.052 -15.883 -0.243 410 3HZ LYS 59 3HZ LYS 59 2.678 -14.619 -1.314 411 H ALA 60 H ALA 60 -1.328 -10.246 -3.626 412 HA ALA 60 HA ALA 60 -2.261 -7.584 -3.267 413 1HB ALA 60 1HB ALA 60 -3.816 -8.194 -5.121 414 2HB ALA 60 2HB ALA 60 -3.340 -9.937 -4.911 415 3HB ALA 60 3HB ALA 60 -2.130 -8.735 -5.464 416 H CYS 61 H CYS 61 -4.293 -6.857 -2.841 417 HA CYS 61 HA CYS 61 -5.325 -7.882 -0.380 418 1HB CYS 61 1HB CYS 61 -6.176 -5.477 -2.108 419 2HB CYS 61 2HB CYS 61 -6.723 -5.754 -0.417 420 H HIS 62 H HIS 62 -5.992 -9.800 -2.020 421 HA HIS 62 HA HIS 62 -8.730 -9.416 -3.017 422 1HB HIS 62 1HB HIS 62 -7.001 -11.923 -3.051 423 2HB HIS 62 2HB HIS 62 -8.649 -11.770 -3.729 424 HD1 HIS 62 HD1 HIS 62 -7.826 -12.279 -6.057 425 HD2 HIS 62 HD2 HIS 62 -6.214 -8.733 -4.495 426 HE1 HIS 62 HE1 HIS 62 -6.804 -11.028 -7.973 427 HE2 HIS 62 HE2 HIS 62 -5.819 -8.896 -7.013 428 H ASN 63 H ASN 63 -9.651 -8.853 -0.886 429 HA ASN 63 HA ASN 63 -10.219 -10.945 0.961 430 1HB ASN 63 1HB ASN 63 -12.169 -9.446 1.672 431 2HB ASN 63 2HB ASN 63 -10.525 -8.879 1.997 432 1HD2 ASN 63 1HD2 ASN 63 -9.746 -6.963 0.764 433 2HD2 ASN 63 2HD2 ASN 63 -10.869 -6.031 -0.176 434 H SER 64 H SER 64 -12.144 -9.306 -1.411 435 HA SER 64 HA SER 64 -14.085 -11.534 -1.465 436 1HB SER 64 1HB SER 64 -14.191 -8.729 -2.737 437 2HB SER 64 2HB SER 64 -15.543 -9.936 -2.701 438 HG SER 64 HG SER 64 -14.281 -8.587 -0.508 439 H GLU 65 H GLU 65 -12.911 -13.079 -2.738 440 HA GLU 65 HA GLU 65 -11.606 -12.508 -5.132 441 1HB GLU 65 1HB GLU 65 -11.568 -14.745 -3.790 442 2HB GLU 65 2HB GLU 65 -13.088 -15.148 -4.624 443 1HG GLU 65 1HG GLU 65 -11.327 -16.194 -5.897 444 2HG GLU 65 2HG GLU 65 -11.824 -14.777 -6.879 445 HE2 GLU 65 HE2 GLU 65 -9.687 -15.785 -4.416 446 H ILE 66 H ILE 66 -14.987 -13.255 -4.566 447 HA ILE 66 HA ILE 66 -15.873 -11.965 -6.916 448 HB ILE 66 HB ILE 66 -17.331 -13.912 -7.606 449 1HG1 ILE 66 1HG1 ILE 66 -15.284 -15.677 -6.126 450 2HG1 ILE 66 2HG1 ILE 66 -16.903 -15.278 -5.459 451 1HG2 ILE 66 1HG2 ILE 66 -14.320 -14.410 -8.034 452 2HG2 ILE 66 2HG2 ILE 66 -15.293 -13.174 -8.907 453 3HG2 ILE 66 3HG2 ILE 66 -15.649 -14.925 -9.117 454 1HD1 ILE 66 1HD1 ILE 66 -16.922 -17.496 -6.550 455 2HD1 ILE 66 2HD1 ILE 66 -16.404 -16.783 -8.115 456 3HD1 ILE 66 3HD1 ILE 66 -18.018 -16.368 -7.407 457 H GLU 67 H GLU 67 -18.383 -12.078 -6.843 458 HA GLU 67 HA GLU 67 -19.281 -12.164 -4.050 459 1HB GLU 67 1HB GLU 67 -21.155 -10.873 -4.642 460 2HB GLU 67 2HB GLU 67 -19.734 -10.056 -5.372 461 1HG GLU 67 1HG GLU 67 -21.881 -11.762 -6.840 462 2HG GLU 67 2HG GLU 67 -21.707 -9.977 -6.870 463 HE2 GLU 67 HE2 GLU 67 -20.222 -12.970 -7.687 Start of MODEL 18 1 1H GLY 1 1H GLY 1 -6.614 -23.087 6.550 2 2H GLY 1 2H GLY 1 -5.193 -22.749 5.678 3 3H GLY 1 3H GLY 1 -6.713 -22.608 4.927 4 1HA GLY 1 1HA GLY 1 -7.310 -20.884 6.494 5 2HA GLY 1 2HA GLY 1 -5.602 -20.953 7.085 6 H ASP 2 H ASP 2 -7.193 -18.747 5.823 7 HA ASP 2 HA ASP 2 -5.261 -17.840 3.819 8 1HB ASP 2 1HB ASP 2 -8.302 -18.209 3.229 9 2HB ASP 2 2HB ASP 2 -7.141 -17.320 2.170 10 HD2 ASP 2 HD2 ASP 2 -7.476 -21.170 1.761 11 H ASP 3 H ASP 3 -5.457 -16.925 6.292 12 HA ASP 3 HA ASP 3 -6.505 -14.310 5.940 13 1HB ASP 3 1HB ASP 3 -8.509 -15.682 6.763 14 2HB ASP 3 2HB ASP 3 -7.606 -15.982 8.294 15 HD2 ASP 3 HD2 ASP 3 -9.754 -13.064 8.614 16 H VAL 4 H VAL 4 -4.693 -13.291 6.358 17 HA VAL 4 HA VAL 4 -3.173 -13.873 8.819 18 HB VAL 4 HB VAL 4 -2.047 -12.655 6.253 19 1HG1 VAL 4 1HG1 VAL 4 -0.765 -14.148 8.656 20 2HG1 VAL 4 2HG1 VAL 4 -0.611 -12.377 8.299 21 3HG1 VAL 4 3HG1 VAL 4 0.119 -13.577 7.201 22 1HG2 VAL 4 1HG2 VAL 4 -2.163 -15.659 6.976 23 2HG2 VAL 4 2HG2 VAL 4 -1.065 -14.944 5.750 24 3HG2 VAL 4 3HG2 VAL 4 -2.835 -14.858 5.500 25 H LYS 5 H LYS 5 -2.303 -11.766 9.793 26 HA LYS 5 HA LYS 5 -3.947 -9.473 9.002 27 1HB LYS 5 1HB LYS 5 -2.294 -10.051 11.510 28 2HB LYS 5 2HB LYS 5 -3.267 -8.574 11.218 29 1HG LYS 5 1HG LYS 5 -5.318 -10.103 10.934 30 2HG LYS 5 2HG LYS 5 -4.318 -11.456 11.540 31 1HD LYS 5 1HD LYS 5 -3.917 -10.198 13.685 32 2HD LYS 5 2HD LYS 5 -4.869 -8.809 13.045 33 1HE LYS 5 1HE LYS 5 -6.909 -10.320 12.868 34 2HE LYS 5 2HE LYS 5 -5.947 -11.655 13.622 35 1HZ LYS 5 1HZ LYS 5 -6.522 -9.005 14.841 36 2HZ LYS 5 2HZ LYS 5 -5.639 -10.269 15.555 37 3HZ LYS 5 3HZ LYS 5 -7.290 -10.477 15.208 38 H SER 6 H SER 6 -1.622 -10.544 7.598 39 HA SER 6 HA SER 6 0.461 -8.635 7.547 40 1HB SER 6 1HB SER 6 -0.671 -10.377 5.285 41 2HB SER 6 2HB SER 6 0.789 -9.344 5.096 42 HG SER 6 HG SER 6 1.246 -11.547 5.713 43 H ALA 7 H ALA 7 0.931 -6.919 5.990 44 HA ALA 7 HA ALA 7 -1.427 -5.438 5.072 45 1HB ALA 7 1HB ALA 7 0.574 -4.206 5.995 46 2HB ALA 7 2HB ALA 7 0.305 -3.780 4.262 47 3HB ALA 7 3HB ALA 7 1.595 -4.952 4.731 48 H CYS 8 H CYS 8 -1.495 -4.762 2.659 49 HA CYS 8 HA CYS 8 -0.578 -6.964 0.933 50 1HB CYS 8 1HB CYS 8 -2.791 -7.253 0.015 51 2HB CYS 8 2HB CYS 8 -2.870 -7.484 1.788 52 H CYS 9 H CYS 9 -0.727 -6.431 -1.456 53 HA CYS 9 HA CYS 9 -1.269 -3.684 -2.163 54 1HB CYS 9 1HB CYS 9 1.402 -4.438 -1.310 55 2HB CYS 9 2HB CYS 9 1.416 -4.353 -3.100 56 H ASP 10 H ASP 10 -1.859 -3.638 -4.438 57 HA ASP 10 HA ASP 10 -1.446 -6.107 -5.942 58 1HB ASP 10 1HB ASP 10 -2.961 -3.502 -6.488 59 2HB ASP 10 2HB ASP 10 -2.679 -4.690 -7.751 60 HD2 ASP 10 HD2 ASP 10 -5.399 -6.415 -6.847 61 H THR 11 H THR 11 -0.255 -2.721 -6.070 62 HA THR 11 HA THR 11 1.702 -3.384 -8.130 63 HB THR 11 HB THR 11 -0.730 -1.510 -8.361 64 HG1 THR 11 HG1 THR 11 -1.333 -2.851 -9.992 65 1HG2 THR 11 1HG2 THR 11 1.224 -0.329 -9.387 66 2HG2 THR 11 2HG2 THR 11 0.146 -0.937 -10.679 67 3HG2 THR 11 3HG2 THR 11 1.669 -1.822 -10.309 68 H CYS 12 H CYS 12 3.412 -1.949 -8.042 69 HA CYS 12 HA CYS 12 3.223 0.315 -6.234 70 1HB CYS 12 1HB CYS 12 4.765 -0.630 -4.670 71 2HB CYS 12 2HB CYS 12 3.480 -1.873 -4.978 72 H LEU 13 H LEU 13 4.728 1.748 -6.224 73 HA LEU 13 HA LEU 13 6.449 1.898 -8.581 74 1HB LEU 13 1HB LEU 13 5.037 3.799 -8.157 75 2HB LEU 13 2HB LEU 13 5.499 3.882 -6.438 76 HG LEU 13 HG LEU 13 7.644 4.203 -8.612 77 1HD1 LEU 13 1HD1 LEU 13 5.762 5.644 -9.343 78 2HD1 LEU 13 2HD1 LEU 13 7.135 6.644 -8.746 79 3HD1 LEU 13 3HD1 LEU 13 5.684 6.399 -7.707 80 1HD2 LEU 13 1HD2 LEU 13 8.402 4.236 -6.186 81 2HD2 LEU 13 2HD2 LEU 13 7.230 5.565 -5.855 82 3HD2 LEU 13 3HD2 LEU 13 8.617 5.838 -6.970 83 H CYS 14 H CYS 14 8.638 1.736 -8.414 84 HA CYS 14 HA CYS 14 9.850 1.630 -5.763 85 1HB CYS 14 1HB CYS 14 9.924 -0.553 -7.893 86 2HB CYS 14 2HB CYS 14 11.160 -0.423 -6.631 87 H THR 15 H THR 15 11.688 2.571 -5.648 88 HA THR 15 HA THR 15 12.670 3.860 -8.059 89 HB THR 15 HB THR 15 14.219 5.063 -6.654 90 HG1 THR 15 HG1 THR 15 13.991 4.890 -4.427 91 1HG2 THR 15 1HG2 THR 15 11.311 4.983 -5.569 92 2HG2 THR 15 2HG2 THR 15 11.851 5.819 -7.073 93 3HG2 THR 15 3HG2 THR 15 12.457 6.371 -5.466 94 H ARG 16 H ARG 16 14.642 3.699 -8.984 95 HA ARG 16 HA ARG 16 16.322 1.387 -8.389 96 1HB ARG 16 1HB ARG 16 16.419 3.488 -10.610 97 2HB ARG 16 2HB ARG 16 17.633 2.172 -10.405 98 1HG ARG 16 1HG ARG 16 15.927 0.451 -10.599 99 2HG ARG 16 2HG ARG 16 14.626 1.679 -10.802 100 1HD ARG 16 1HD ARG 16 15.655 2.465 -12.927 101 2HD ARG 16 2HD ARG 16 17.025 1.302 -12.741 102 HE ARG 16 HE ARG 16 14.162 0.680 -13.358 103 1HH1 ARG 16 1HH1 ARG 16 17.439 -0.627 -12.676 104 2HH1 ARG 16 2HH1 ARG 16 17.033 -2.217 -13.241 105 1HH2 ARG 16 1HH2 ARG 16 13.700 -1.421 -14.120 106 2HH2 ARG 16 2HH2 ARG 16 14.899 -2.671 -14.071 107 H SER 17 H SER 17 15.968 3.665 -6.573 108 HA SER 17 HA SER 17 18.413 5.115 -6.321 109 1HB SER 17 1HB SER 17 16.174 5.843 -5.350 110 2HB SER 17 2HB SER 17 16.443 4.637 -4.044 111 HG SER 17 HG SER 17 17.125 6.739 -3.500 112 H GLN 18 H GLN 18 18.994 4.886 -3.656 113 HA GLN 18 HA GLN 18 20.251 2.269 -3.211 114 1HB GLN 18 1HB GLN 18 21.695 4.955 -3.629 115 2HB GLN 18 2HB GLN 18 22.448 3.548 -2.835 116 1HG GLN 18 1HG GLN 18 23.374 3.434 -4.958 117 2HG GLN 18 2HG GLN 18 22.076 2.190 -5.003 118 1HE2 GLN 18 1HE2 GLN 18 21.913 5.792 -5.414 119 2HE2 GLN 18 2HE2 GLN 18 21.142 5.725 -6.982 120 HA PRO 19 HA PRO 19 19.558 1.132 -1.630 121 1HB PRO 19 1HB PRO 19 17.947 0.545 0.532 122 2HB PRO 19 2HB PRO 19 19.772 0.633 0.660 123 1HG PRO 19 1HG PRO 19 17.731 2.829 1.328 124 2HG PRO 19 2HG PRO 19 19.101 2.216 2.360 125 1HD PRO 19 1HD PRO 19 19.284 4.479 0.728 126 2HD PRO 19 2HD PRO 19 20.719 3.393 1.030 127 HA PRO 20 HA PRO 20 15.791 2.410 -3.564 128 1HB PRO 20 1HB PRO 20 14.689 0.021 -4.413 129 2HB PRO 20 2HB PRO 20 16.238 0.654 -5.093 130 1HG PRO 20 1HG PRO 20 15.899 -1.357 -2.804 131 2HG PRO 20 2HG PRO 20 16.892 -1.563 -4.305 132 1HD PRO 20 1HD PRO 20 17.983 -0.687 -1.937 133 2HD PRO 20 2HD PRO 20 18.499 0.083 -3.522 134 H THR 21 H THR 21 13.449 2.248 -3.578 135 HA THR 21 HA THR 21 12.192 1.427 -1.031 136 HB THR 21 HB THR 21 11.385 3.908 -0.828 137 HG1 THR 21 HG1 THR 21 12.572 4.174 -2.990 138 1HG2 THR 21 1HG2 THR 21 13.340 4.672 0.448 139 2HG2 THR 21 2HG2 THR 21 14.387 3.435 -0.328 140 3HG2 THR 21 3HG2 THR 21 13.060 2.919 0.780 141 H CYS 22 H CYS 22 9.873 1.757 -1.089 142 HA CYS 22 HA CYS 22 8.791 2.229 -3.777 143 1HB CYS 22 1HB CYS 22 8.325 -0.289 -2.034 144 2HB CYS 22 2HB CYS 22 7.550 -0.002 -3.589 145 H ARG 23 H ARG 23 6.311 1.816 -3.616 146 HA ARG 23 HA ARG 23 5.044 2.225 -1.128 147 1HB ARG 23 1HB ARG 23 6.185 4.544 -1.684 148 2HB ARG 23 2HB ARG 23 4.891 4.728 -2.887 149 1HG ARG 23 1HG ARG 23 4.268 4.083 0.071 150 2HG ARG 23 2HG ARG 23 4.754 5.710 -0.383 151 1HD ARG 23 1HD ARG 23 2.339 4.373 -1.746 152 2HD ARG 23 2HD ARG 23 2.244 5.443 -0.280 153 HE ARG 23 HE ARG 23 3.800 6.910 -1.972 154 1HH1 ARG 23 1HH1 ARG 23 0.577 5.397 -2.597 155 2HH1 ARG 23 2HH1 ARG 23 0.119 6.647 -3.676 156 1HH2 ARG 23 1HH2 ARG 23 3.214 8.401 -3.316 157 2HH2 ARG 23 2HH2 ARG 23 1.662 8.485 -4.118 158 H CYS 24 H CYS 24 2.911 2.107 -1.269 159 HA CYS 24 HA CYS 24 1.799 0.376 -3.090 160 1HB CYS 24 1HB CYS 24 0.918 1.998 -0.844 161 2HB CYS 24 2HB CYS 24 -0.336 1.526 -2.014 162 H VAL 25 H VAL 25 1.189 1.321 -5.521 163 HA VAL 25 HA VAL 25 0.505 4.070 -5.637 164 HB VAL 25 HB VAL 25 0.002 3.896 -7.920 165 1HG1 VAL 25 1HG1 VAL 25 2.225 3.138 -8.685 166 2HG1 VAL 25 2HG1 VAL 25 2.436 2.140 -7.205 167 3HG1 VAL 25 3HG1 VAL 25 2.389 3.940 -7.074 168 1HG2 VAL 25 1HG2 VAL 25 0.142 1.661 -9.118 169 2HG2 VAL 25 2HG2 VAL 25 -1.278 1.769 -8.021 170 3HG2 VAL 25 3HG2 VAL 25 0.178 0.836 -7.523 171 H ASP 26 H ASP 26 -1.251 1.382 -4.801 172 HA ASP 26 HA ASP 26 -3.836 2.283 -5.772 173 1HB ASP 26 1HB ASP 26 -3.353 0.008 -3.757 174 2HB ASP 26 2HB ASP 26 -4.726 0.179 -4.900 175 HD2 ASP 26 HD2 ASP 26 -2.149 -1.313 -4.238 176 H VAL 27 H VAL 27 -5.712 2.689 -4.410 177 HA VAL 27 HA VAL 27 -5.091 3.441 -1.654 178 HB VAL 27 HB VAL 27 -7.342 4.108 -1.399 179 1HG1 VAL 27 1HG1 VAL 27 -7.228 6.054 -3.016 180 2HG1 VAL 27 2HG1 VAL 27 -5.937 5.193 -3.923 181 3HG1 VAL 27 3HG1 VAL 27 -5.645 5.716 -2.226 182 1HG2 VAL 27 1HG2 VAL 27 -8.481 2.506 -2.962 183 2HG2 VAL 27 2HG2 VAL 27 -7.770 3.384 -4.371 184 3HG2 VAL 27 3HG2 VAL 27 -8.918 4.220 -3.269 185 H ARG 28 H ARG 28 -5.778 2.500 0.105 186 HA ARG 28 HA ARG 28 -7.226 -0.062 -0.108 187 1HB ARG 28 1HB ARG 28 -6.108 -0.775 1.987 188 2HB ARG 28 2HB ARG 28 -4.997 -0.624 0.615 189 1HG ARG 28 1HG ARG 28 -3.663 0.789 1.751 190 2HG ARG 28 2HG ARG 28 -5.044 1.916 2.102 191 1HD ARG 28 1HD ARG 28 -4.085 1.158 4.226 192 2HD ARG 28 2HD ARG 28 -5.766 0.500 3.955 193 HE ARG 28 HE ARG 28 -3.590 -1.225 2.962 194 1HH1 ARG 28 1HH1 ARG 28 -5.600 -0.458 5.825 195 2HH1 ARG 28 2HH1 ARG 28 -5.495 -2.070 6.451 196 1HH2 ARG 28 1HH2 ARG 28 -3.483 -3.215 3.749 197 2HH2 ARG 28 2HH2 ARG 28 -4.208 -3.710 5.270 198 H GLU 29 H GLU 29 -8.371 -0.587 1.997 199 HA GLU 29 HA GLU 29 -10.439 1.240 2.282 200 1HB GLU 29 1HB GLU 29 -9.559 -1.246 3.774 201 2HB GLU 29 2HB GLU 29 -11.047 -0.353 4.246 202 1HG GLU 29 1HG GLU 29 -11.873 -0.584 1.804 203 2HG GLU 29 2HG GLU 29 -10.488 -1.696 1.510 204 HE2 GLU 29 HE2 GLU 29 -13.656 -2.860 3.684 205 H SER 30 H SER 30 -7.835 0.566 4.511 206 HA SER 30 HA SER 30 -8.571 2.977 6.064 207 1HB SER 30 1HB SER 30 -8.562 0.127 7.283 208 2HB SER 30 2HB SER 30 -8.751 1.656 8.248 209 HG SER 30 HG SER 30 -10.690 0.661 7.831 210 H CYS 31 H CYS 31 -6.814 1.043 8.203 211 HA CYS 31 HA CYS 31 -4.245 1.825 7.105 212 1HB CYS 31 1HB CYS 31 -5.123 3.712 8.584 213 2HB CYS 31 2HB CYS 31 -5.250 2.500 9.940 214 H HIS 32 H HIS 32 -2.516 0.753 8.617 215 HA HIS 32 HA HIS 32 -3.447 -1.816 9.660 216 1HB HIS 32 1HB HIS 32 -2.852 -2.080 7.199 217 2HB HIS 32 2HB HIS 32 -1.165 -1.521 7.617 218 HD1 HIS 32 HD1 HIS 32 -3.762 -4.124 8.368 219 HD2 HIS 32 HD2 HIS 32 0.416 -3.821 8.446 220 HE1 HIS 32 HE1 HIS 32 -2.890 -6.364 8.953 221 HE2 HIS 32 HE2 HIS 32 -0.352 -6.169 9.026 222 H SER 33 H SER 33 -1.383 -2.851 10.727 223 HA SER 33 HA SER 33 -0.165 -0.895 12.373 224 1HB SER 33 1HB SER 33 0.472 -3.880 12.004 225 2HB SER 33 2HB SER 33 1.213 -2.872 13.295 226 HG SER 33 HG SER 33 -0.804 -4.093 13.776 227 H ALA 34 H ALA 34 1.501 -3.075 9.961 228 HA ALA 34 HA ALA 34 3.910 -2.029 10.095 229 1HB ALA 34 1HB ALA 34 4.311 -2.899 7.800 230 2HB ALA 34 2HB ALA 34 2.531 -2.926 7.478 231 3HB ALA 34 3HB ALA 34 3.259 -4.013 8.717 232 H CYS 35 H CYS 35 1.327 -0.483 8.322 233 HA CYS 35 HA CYS 35 3.146 1.713 7.513 234 1HB CYS 35 1HB CYS 35 1.739 0.890 5.688 235 2HB CYS 35 2HB CYS 35 0.251 1.190 6.698 236 H ASP 36 H ASP 36 3.495 2.560 9.601 237 HA ASP 36 HA ASP 36 1.301 3.197 11.327 238 1HB ASP 36 1HB ASP 36 3.176 4.106 12.788 239 2HB ASP 36 2HB ASP 36 3.418 2.419 12.224 240 HD2 ASP 36 HD2 ASP 36 4.805 5.359 12.420 241 H LYS 37 H LYS 37 2.301 4.686 8.592 242 HA LYS 37 HA LYS 37 1.380 7.334 9.443 243 1HB LYS 37 1HB LYS 37 2.956 8.338 7.820 244 2HB LYS 37 2HB LYS 37 3.777 7.537 9.140 245 1HG LYS 37 1HG LYS 37 3.355 5.939 6.595 246 2HG LYS 37 2HG LYS 37 4.558 7.255 6.614 247 1HD LYS 37 1HD LYS 37 5.878 6.277 8.351 248 2HD LYS 37 2HD LYS 37 4.598 5.118 8.806 249 1HE LYS 37 1HE LYS 37 4.896 3.841 6.699 250 2HE LYS 37 2HE LYS 37 6.151 5.018 6.134 251 1HZ LYS 37 1HZ LYS 37 7.503 4.428 8.008 252 2HZ LYS 37 2HZ LYS 37 7.087 3.034 7.137 253 3HZ LYS 37 3HZ LYS 37 6.315 3.380 8.611 254 H CYS 38 H CYS 38 -0.708 6.177 8.864 255 HA CYS 38 HA CYS 38 -1.248 5.971 6.025 256 1HB CYS 38 1HB CYS 38 -2.777 5.822 8.661 257 2HB CYS 38 2HB CYS 38 -3.627 5.572 7.084 258 H VAL 39 H VAL 39 -2.159 7.491 4.713 259 HA VAL 39 HA VAL 39 -3.421 9.811 5.944 260 HB VAL 39 HB VAL 39 -1.248 10.133 5.058 261 1HG1 VAL 39 1HG1 VAL 39 -1.096 8.548 3.234 262 2HG1 VAL 39 2HG1 VAL 39 -0.741 10.245 2.726 263 3HG1 VAL 39 3HG1 VAL 39 -2.326 9.507 2.284 264 1HG2 VAL 39 1HG2 VAL 39 -2.983 11.947 5.113 265 2HG2 VAL 39 2HG2 VAL 39 -3.464 11.499 3.414 266 3HG2 VAL 39 3HG2 VAL 39 -1.800 12.132 3.747 267 H CYS 40 H CYS 40 -5.631 9.333 5.879 268 HA CYS 40 HA CYS 40 -6.733 8.096 3.507 269 1HB CYS 40 1HB CYS 40 -7.956 8.967 6.116 270 2HB CYS 40 2HB CYS 40 -8.853 8.222 4.793 271 H ALA 41 H ALA 41 -7.764 8.948 1.936 272 HA ALA 41 HA ALA 41 -8.721 11.669 1.888 273 1HB ALA 41 1HB ALA 41 -9.693 11.099 -0.269 274 2HB ALA 41 2HB ALA 41 -9.117 9.384 -0.081 275 3HB ALA 41 3HB ALA 41 -7.923 10.738 -0.230 276 H TYR 42 H TYR 42 -10.701 12.318 2.452 277 HA TYR 42 HA TYR 42 -12.694 10.403 3.276 278 1HB TYR 42 1HB TYR 42 -14.042 12.427 3.836 279 2HB TYR 42 2HB TYR 42 -12.447 12.266 4.642 280 HD1 TYR 42 HD1 TYR 42 -10.608 13.866 4.119 281 HD2 TYR 42 HD2 TYR 42 -14.393 14.140 2.072 282 HE1 TYR 42 HE1 TYR 42 -9.971 16.055 3.191 283 HE2 TYR 42 HE2 TYR 42 -13.715 16.256 1.086 284 HH TYR 42 HH TYR 42 -12.129 17.827 0.896 285 H SER 43 H SER 43 -12.553 9.551 0.978 286 HA SER 43 HA SER 43 -14.448 10.505 -0.910 287 1HB SER 43 1HB SER 43 -13.269 7.745 -0.564 288 2HB SER 43 2HB SER 43 -14.180 8.338 -2.029 289 HG SER 43 HG SER 43 -11.720 8.495 -1.922 290 H ASN 44 H ASN 44 -15.746 7.846 -1.295 291 HA ASN 44 HA ASN 44 -17.407 7.337 0.961 292 1HB ASN 44 1HB ASN 44 -18.694 8.880 -0.525 293 2HB ASN 44 2HB ASN 44 -18.387 7.820 -1.911 294 1HD2 ASN 44 1HD2 ASN 44 -19.241 5.438 -1.555 295 2HD2 ASN 44 2HD2 ASN 44 -20.742 5.255 -0.732 296 HA PRO 45 HA PRO 45 -16.802 5.850 2.164 297 1HB PRO 45 1HB PRO 45 -15.546 3.597 3.072 298 2HB PRO 45 2HB PRO 45 -17.221 3.516 2.515 299 1HG PRO 45 1HG PRO 45 -14.697 2.850 0.889 300 2HG PRO 45 2HG PRO 45 -16.152 1.814 1.107 301 1HD PRO 45 1HD PRO 45 -15.767 3.540 -1.075 302 2HD PRO 45 2HD PRO 45 -17.430 3.142 -0.436 303 HA PRO 46 HA PRO 46 -12.756 7.537 1.991 304 1HB PRO 46 1HB PRO 46 -11.519 7.140 4.462 305 2HB PRO 46 2HB PRO 46 -12.891 8.281 4.207 306 1HG PRO 46 1HG PRO 46 -13.098 5.369 5.138 307 2HG PRO 46 2HG PRO 46 -13.786 6.868 5.919 308 1HD PRO 46 1HD PRO 46 -15.302 5.296 4.303 309 2HD PRO 46 2HD PRO 46 -15.361 7.162 4.098 310 H GLN 47 H GLN 47 -10.462 7.174 1.651 311 HA GLN 47 HA GLN 47 -9.651 4.413 1.425 312 1HB GLN 47 1HB GLN 47 -10.314 6.342 -0.876 313 2HB GLN 47 2HB GLN 47 -9.222 4.982 -1.179 314 1HG GLN 47 1HG GLN 47 -12.113 4.605 -0.134 315 2HG GLN 47 2HG GLN 47 -11.741 4.804 -1.870 316 1HE2 GLN 47 1HE2 GLN 47 -9.322 2.799 -0.182 317 2HE2 GLN 47 2HE2 GLN 47 -9.939 1.353 -0.894 318 H CYS 48 H CYS 48 -7.341 4.346 0.911 319 HA CYS 48 HA CYS 48 -6.047 6.791 1.946 320 1HB CYS 48 1HB CYS 48 -6.229 4.028 3.304 321 2HB CYS 48 2HB CYS 48 -5.448 5.491 4.006 322 H GLN 49 H GLN 49 -3.900 6.768 2.136 323 HA GLN 49 HA GLN 49 -2.389 4.691 0.721 324 1HB GLN 49 1HB GLN 49 -2.601 7.721 0.433 325 2HB GLN 49 2HB GLN 49 -1.102 6.893 -0.141 326 1HG GLN 49 1HG GLN 49 -2.218 5.757 -1.914 327 2HG GLN 49 2HG GLN 49 -3.839 5.992 -1.185 328 1HE2 GLN 49 1HE2 GLN 49 -4.616 8.270 -0.990 329 2HE2 GLN 49 2HE2 GLN 49 -4.276 9.325 -2.331 330 H CYS 50 H CYS 50 -0.005 5.159 1.172 331 HA CYS 50 HA CYS 50 0.346 5.900 4.036 332 1HB CYS 50 1HB CYS 50 2.112 4.299 2.104 333 2HB CYS 50 2HB CYS 50 2.641 4.781 3.735 334 H TYR 51 H TYR 51 1.454 7.626 4.639 335 HA TYR 51 HA TYR 51 2.018 9.770 2.993 336 1HB TYR 51 1HB TYR 51 2.779 8.800 5.764 337 2HB TYR 51 2HB TYR 51 3.791 10.116 5.136 338 HD1 TYR 51 HD1 TYR 51 2.665 12.206 4.146 339 HD2 TYR 51 HD2 TYR 51 0.602 9.447 6.761 340 HE1 TYR 51 HE1 TYR 51 1.238 13.975 4.888 341 HE2 TYR 51 HE2 TYR 51 -0.770 11.245 7.570 342 HH TYR 51 HH TYR 51 -0.656 14.500 6.042 343 H ASP 52 H ASP 52 4.322 7.609 4.451 344 HA ASP 52 HA ASP 52 6.496 8.659 2.764 345 1HB ASP 52 1HB ASP 52 6.514 8.578 5.425 346 2HB ASP 52 2HB ASP 52 6.844 6.829 5.210 347 HD2 ASP 52 HD2 ASP 52 10.141 7.406 4.613 348 H THR 53 H THR 53 8.215 7.032 2.127 349 HA THR 53 HA THR 53 7.177 4.906 0.627 350 HB THR 53 HB THR 53 9.798 4.371 0.601 351 HG1 THR 53 HG1 THR 53 10.940 6.329 1.088 352 1HG2 THR 53 1HG2 THR 53 8.569 6.971 -0.554 353 2HG2 THR 53 2HG2 THR 53 8.465 5.337 -1.304 354 3HG2 THR 53 3HG2 THR 53 10.059 6.152 -1.148 355 H HIS 54 H HIS 54 7.868 2.630 0.792 356 HA HIS 54 HA HIS 54 8.848 1.776 3.311 357 1HB HIS 54 1HB HIS 54 6.488 1.715 3.908 358 2HB HIS 54 2HB HIS 54 6.103 0.778 2.405 359 HD1 HIS 54 HD1 HIS 54 6.212 -1.584 2.440 360 HD2 HIS 54 HD2 HIS 54 7.881 -0.067 5.986 361 HE1 HIS 54 HE1 HIS 54 6.590 -3.525 3.973 362 HE2 HIS 54 HE2 HIS 54 7.619 -2.579 6.102 363 H LYS 55 H LYS 55 10.194 0.208 3.067 364 HA LYS 55 HA LYS 55 10.884 -0.491 0.414 365 1HB LYS 55 1HB LYS 55 12.832 -1.551 1.357 366 2HB LYS 55 2HB LYS 55 12.536 0.038 2.114 367 1HG LYS 55 1HG LYS 55 11.679 -1.040 4.178 368 2HG LYS 55 2HG LYS 55 11.790 -2.665 3.420 369 1HD LYS 55 1HD LYS 55 14.212 -2.516 3.281 370 2HD LYS 55 2HD LYS 55 14.188 -0.763 3.724 371 1HE LYS 55 1HE LYS 55 13.379 -1.274 5.999 372 2HE LYS 55 2HE LYS 55 13.266 -3.035 5.602 373 1HZ LYS 55 1HZ LYS 55 15.284 -2.495 6.788 374 2HZ LYS 55 2HZ LYS 55 15.756 -1.397 5.586 375 3HZ LYS 55 3HZ LYS 55 15.644 -3.051 5.227 376 H PHE 56 H PHE 56 8.365 -1.617 0.681 377 HA PHE 56 HA PHE 56 8.976 -4.302 -0.079 378 1HB PHE 56 1HB PHE 56 8.708 -4.162 2.648 379 2HB PHE 56 2HB PHE 56 6.962 -4.268 2.231 380 HD1 PHE 56 HD1 PHE 56 6.057 -6.410 1.518 381 HD2 PHE 56 HD2 PHE 56 10.312 -5.826 1.772 382 HE1 PHE 56 HE1 PHE 56 6.397 -8.842 1.320 383 HE2 PHE 56 HE2 PHE 56 10.653 -8.247 1.545 384 HZ PHE 56 HZ PHE 56 8.692 -9.775 1.343 385 H CYS 57 H CYS 57 7.365 -5.240 -1.324 386 HA CYS 57 HA CYS 57 4.739 -3.912 -1.409 387 1HB CYS 57 1HB CYS 57 6.137 -5.401 -3.683 388 2HB CYS 57 2HB CYS 57 4.507 -4.650 -3.753 389 H TYR 58 H TYR 58 3.386 -5.168 -0.359 390 HA TYR 58 HA TYR 58 3.993 -7.966 0.176 391 1HB TYR 58 1HB TYR 58 1.729 -6.052 0.993 392 2HB TYR 58 2HB TYR 58 1.690 -7.781 1.411 393 HD1 TYR 58 HD1 TYR 58 3.068 -4.565 2.417 394 HD2 TYR 58 HD2 TYR 58 3.697 -8.839 2.619 395 HE1 TYR 58 HE1 TYR 58 4.502 -4.285 4.373 396 HE2 TYR 58 HE2 TYR 58 5.135 -8.547 4.516 397 HH TYR 58 HH TYR 58 6.195 -7.091 5.863 398 H LYS 59 H LYS 59 2.187 -9.573 0.050 399 HA LYS 59 HA LYS 59 1.582 -10.252 -2.480 400 1HB LYS 59 1HB LYS 59 0.146 -10.988 0.097 401 2HB LYS 59 2HB LYS 59 -0.110 -11.825 -1.477 402 1HG LYS 59 1HG LYS 59 2.319 -12.488 -1.519 403 2HG LYS 59 2HG LYS 59 2.561 -11.728 0.089 404 1HD LYS 59 1HD LYS 59 0.776 -13.209 1.050 405 2HD LYS 59 2HD LYS 59 0.639 -14.043 -0.538 406 1HE LYS 59 1HE LYS 59 3.057 -14.759 -0.361 407 2HE LYS 59 2HE LYS 59 3.184 -13.867 1.209 408 1HZ LYS 59 1HZ LYS 59 2.798 -16.128 1.658 409 2HZ LYS 59 2HZ LYS 59 1.478 -16.219 0.592 410 3HZ LYS 59 3HZ LYS 59 1.358 -15.304 2.016 411 H ALA 60 H ALA 60 -0.327 -10.547 -3.689 412 HA ALA 60 HA ALA 60 -1.663 -8.185 -4.135 413 1HB ALA 60 1HB ALA 60 -2.922 -9.463 -5.836 414 2HB ALA 60 2HB ALA 60 -2.374 -11.009 -5.068 415 3HB ALA 60 3HB ALA 60 -1.171 -9.915 -5.836 416 H CYS 61 H CYS 61 -3.441 -7.216 -3.547 417 HA CYS 61 HA CYS 61 -4.876 -8.456 -1.361 418 1HB CYS 61 1HB CYS 61 -3.862 -5.975 -1.584 419 2HB CYS 61 2HB CYS 61 -5.476 -5.619 -2.238 420 H HIS 62 H HIS 62 -7.177 -7.610 -1.164 421 HA HIS 62 HA HIS 62 -8.667 -7.954 -3.669 422 1HB HIS 62 1HB HIS 62 -9.344 -9.416 -1.047 423 2HB HIS 62 2HB HIS 62 -10.145 -9.631 -2.642 424 HD1 HIS 62 HD1 HIS 62 -8.668 -10.808 -4.484 425 HD2 HIS 62 HD2 HIS 62 -6.814 -10.724 -0.722 426 HE1 HIS 62 HE1 HIS 62 -6.658 -12.295 -4.622 427 HE2 HIS 62 HE2 HIS 62 -5.520 -12.188 -2.347 428 H ASN 63 H ASN 63 -10.662 -6.755 -3.637 429 HA ASN 63 HA ASN 63 -12.057 -6.096 -1.519 430 1HB ASN 63 1HB ASN 63 -11.918 -3.559 -1.379 431 2HB ASN 63 2HB ASN 63 -10.669 -4.479 -0.508 432 1HD2 ASN 63 1HD2 ASN 63 -8.397 -4.386 -1.426 433 2HD2 ASN 63 2HD2 ASN 63 -8.005 -3.101 -2.517 434 H SER 64 H SER 64 -11.044 -4.532 -4.492 435 HA SER 64 HA SER 64 -13.824 -4.853 -5.478 436 1HB SER 64 1HB SER 64 -13.254 -2.557 -4.312 437 2HB SER 64 2HB SER 64 -12.298 -2.206 -5.785 438 HG SER 64 HG SER 64 -14.467 -1.415 -5.843 439 H GLU 65 H GLU 65 -10.870 -5.839 -6.163 440 HA GLU 65 HA GLU 65 -10.310 -5.047 -8.739 441 1HB GLU 65 1HB GLU 65 -8.722 -6.737 -8.839 442 2HB GLU 65 2HB GLU 65 -8.777 -6.250 -7.132 443 1HG GLU 65 1HG GLU 65 -10.090 -8.801 -8.343 444 2HG GLU 65 2HG GLU 65 -8.494 -8.715 -7.525 445 HE2 GLU 65 HE2 GLU 65 -10.113 -10.418 -6.789 446 H ILE 66 H ILE 66 -12.638 -7.181 -7.582 447 HA ILE 66 HA ILE 66 -14.126 -7.233 -9.938 448 HB ILE 66 HB ILE 66 -12.540 -9.139 -10.299 449 1HG1 ILE 66 1HG1 ILE 66 -15.485 -9.967 -10.036 450 2HG1 ILE 66 2HG1 ILE 66 -14.807 -8.921 -11.321 451 1HG2 ILE 66 1HG2 ILE 66 -12.378 -9.822 -7.850 452 2HG2 ILE 66 2HG2 ILE 66 -12.752 -11.180 -8.971 453 3HG2 ILE 66 3HG2 ILE 66 -14.051 -10.482 -7.959 454 1HD1 ILE 66 1HD1 ILE 66 -14.997 -11.267 -12.130 455 2HD1 ILE 66 2HD1 ILE 66 -14.029 -11.866 -10.739 456 3HD1 ILE 66 3HD1 ILE 66 -13.253 -10.830 -11.993 457 H GLU 67 H GLU 67 -16.086 -8.934 -8.970 458 HA GLU 67 HA GLU 67 -17.145 -7.444 -6.755 459 1HB GLU 67 1HB GLU 67 -18.024 -10.141 -7.946 460 2HB GLU 67 2HB GLU 67 -18.953 -9.210 -6.743 461 1HG GLU 67 1HG GLU 67 -19.283 -7.321 -8.327 462 2HG GLU 67 2HG GLU 67 -18.293 -8.137 -9.586 463 HE2 GLU 67 HE2 GLU 67 -20.706 -10.585 -10.201 Start of MODEL 19 1 1H GLY 1 1H GLY 1 -1.220 1.754 17.760 2 2H GLY 1 2H GLY 1 -2.082 2.555 18.985 3 3H GLY 1 3H GLY 1 -2.695 2.517 17.408 4 1HA GLY 1 1HA GLY 1 -2.296 0.179 19.142 5 2HA GLY 1 2HA GLY 1 -3.868 1.020 18.797 6 H ASP 2 H ASP 2 -1.103 -0.552 17.213 7 HA ASP 2 HA ASP 2 -2.815 -1.885 15.257 8 1HB ASP 2 1HB ASP 2 -0.513 0.020 14.383 9 2HB ASP 2 2HB ASP 2 -1.567 -0.955 13.301 10 HD2 ASP 2 HD2 ASP 2 -4.212 1.344 13.653 11 H ASP 3 H ASP 3 -1.969 -3.945 15.318 12 HA ASP 3 HA ASP 3 0.894 -4.348 15.265 13 1HB ASP 3 1HB ASP 3 0.701 -5.885 17.344 14 2HB ASP 3 2HB ASP 3 0.780 -4.122 17.602 15 HD2 ASP 3 HD2 ASP 3 -2.280 -3.841 19.071 16 H VAL 4 H VAL 4 -0.347 -4.897 13.174 17 HA VAL 4 HA VAL 4 -0.485 -7.770 13.111 18 HB VAL 4 HB VAL 4 -2.777 -7.004 13.417 19 1HG1 VAL 4 1HG1 VAL 4 -3.996 -5.877 11.553 20 2HG1 VAL 4 2HG1 VAL 4 -2.462 -5.681 10.633 21 3HG1 VAL 4 3HG1 VAL 4 -2.701 -4.814 12.204 22 1HG2 VAL 4 1HG2 VAL 4 -3.748 -8.418 11.618 23 2HG2 VAL 4 2HG2 VAL 4 -2.230 -9.159 12.240 24 3HG2 VAL 4 3HG2 VAL 4 -2.237 -8.289 10.654 25 H LYS 5 H LYS 5 0.581 -8.590 11.445 26 HA LYS 5 HA LYS 5 2.004 -6.749 9.729 27 1HB LYS 5 1HB LYS 5 2.039 -9.775 10.176 28 2HB LYS 5 2HB LYS 5 2.994 -9.064 8.861 29 1HG LYS 5 1HG LYS 5 3.269 -8.079 11.739 30 2HG LYS 5 2HG LYS 5 4.193 -9.491 11.118 31 1HD LYS 5 1HD LYS 5 5.309 -8.196 9.424 32 2HD LYS 5 2HD LYS 5 4.288 -6.747 9.701 33 1HE LYS 5 1HE LYS 5 6.211 -7.928 11.816 34 2HE LYS 5 2HE LYS 5 6.620 -6.574 10.689 35 1HZ LYS 5 1HZ LYS 5 4.803 -5.322 11.604 36 2HZ LYS 5 2HZ LYS 5 5.895 -5.787 12.817 37 3HZ LYS 5 3HZ LYS 5 4.402 -6.580 12.666 38 H SER 6 H SER 6 -0.672 -8.976 9.383 39 HA SER 6 HA SER 6 -0.692 -9.393 6.685 40 1HB SER 6 1HB SER 6 -3.170 -9.127 8.453 41 2HB SER 6 2HB SER 6 -3.035 -9.984 6.865 42 HG SER 6 HG SER 6 -2.839 -11.413 8.613 43 H ALA 7 H ALA 7 -0.411 -7.814 5.240 44 HA ALA 7 HA ALA 7 -2.503 -5.773 4.947 45 1HB ALA 7 1HB ALA 7 0.583 -5.590 4.632 46 2HB ALA 7 2HB ALA 7 -0.363 -4.795 5.931 47 3HB ALA 7 3HB ALA 7 -0.557 -4.232 4.224 48 H CYS 8 H CYS 8 -2.654 -5.037 2.708 49 HA CYS 8 HA CYS 8 -1.289 -6.773 0.752 50 1HB CYS 8 1HB CYS 8 -4.095 -5.624 0.350 51 2HB CYS 8 2HB CYS 8 -3.135 -6.557 -0.845 52 H CYS 9 H CYS 9 -0.563 -5.742 -1.145 53 HA CYS 9 HA CYS 9 -0.809 -2.817 -1.277 54 1HB CYS 9 1HB CYS 9 1.085 -3.352 0.289 55 2HB CYS 9 2HB CYS 9 1.795 -4.403 -0.959 56 H ASP 10 H ASP 10 -2.087 -3.601 -3.175 57 HA ASP 10 HA ASP 10 -0.804 -5.262 -5.052 58 1HB ASP 10 1HB ASP 10 -2.940 -5.165 -6.243 59 2HB ASP 10 2HB ASP 10 -3.135 -5.509 -4.526 60 HD2 ASP 10 HD2 ASP 10 -4.672 -2.441 -3.832 61 H THR 11 H THR 11 0.129 -2.431 -4.619 62 HA THR 11 HA THR 11 1.203 -2.111 -7.220 63 HB THR 11 HB THR 11 -0.302 0.391 -6.340 64 HG1 THR 11 HG1 THR 11 -1.746 -1.270 -7.115 65 1HG2 THR 11 1HG2 THR 11 1.825 0.608 -7.783 66 2HG2 THR 11 2HG2 THR 11 0.334 1.061 -8.687 67 3HG2 THR 11 3HG2 THR 11 1.098 -0.554 -8.939 68 H CYS 12 H CYS 12 2.933 -2.572 -6.121 69 HA CYS 12 HA CYS 12 4.083 -0.737 -4.171 70 1HB CYS 12 1HB CYS 12 5.149 -3.213 -5.674 71 2HB CYS 12 2HB CYS 12 6.121 -2.276 -4.443 72 H LEU 13 H LEU 13 4.601 1.247 -5.072 73 HA LEU 13 HA LEU 13 6.019 1.276 -7.668 74 1HB LEU 13 1HB LEU 13 4.292 2.960 -7.241 75 2HB LEU 13 2HB LEU 13 5.182 3.562 -5.806 76 HG LEU 13 HG LEU 13 6.493 3.505 -8.586 77 1HD1 LEU 13 1HD1 LEU 13 4.184 4.553 -8.791 78 2HD1 LEU 13 2HD1 LEU 13 5.538 5.704 -9.128 79 3HD1 LEU 13 3HD1 LEU 13 4.666 5.765 -7.557 80 1HD2 LEU 13 1HD2 LEU 13 7.943 4.222 -6.620 81 2HD2 LEU 13 2HD2 LEU 13 6.725 5.474 -6.205 82 3HD2 LEU 13 3HD2 LEU 13 7.637 5.581 -7.755 83 H CYS 14 H CYS 14 8.230 1.470 -7.743 84 HA CYS 14 HA CYS 14 9.682 2.021 -5.298 85 1HB CYS 14 1HB CYS 14 10.021 -0.455 -7.067 86 2HB CYS 14 2HB CYS 14 11.159 0.003 -5.790 87 H THR 15 H THR 15 11.397 3.204 -5.588 88 HA THR 15 HA THR 15 11.836 4.169 -8.279 89 HB THR 15 HB THR 15 13.457 5.702 -7.302 90 HG1 THR 15 HG1 THR 15 13.641 5.778 -5.074 91 1HG2 THR 15 1HG2 THR 15 10.964 6.181 -7.350 92 2HG2 THR 15 2HG2 THR 15 11.810 6.993 -5.984 93 3HG2 THR 15 3HG2 THR 15 10.815 5.518 -5.678 94 H ARG 16 H ARG 16 14.063 4.539 -9.117 95 HA ARG 16 HA ARG 16 15.615 2.086 -8.946 96 1HB ARG 16 1HB ARG 16 16.936 2.818 -10.754 97 2HB ARG 16 2HB ARG 16 15.204 3.002 -11.169 98 1HG ARG 16 1HG ARG 16 15.360 5.269 -11.442 99 2HG ARG 16 2HG ARG 16 16.478 5.481 -10.049 100 1HD ARG 16 1HD ARG 16 18.344 4.452 -11.484 101 2HD ARG 16 2HD ARG 16 17.206 4.428 -12.868 102 HE ARG 16 HE ARG 16 17.564 6.694 -13.142 103 1HH1 ARG 16 1HH1 ARG 16 18.576 5.931 -9.756 104 2HH1 ARG 16 2HH1 ARG 16 19.243 7.505 -9.507 105 1HH2 ARG 16 1HH2 ARG 16 18.436 8.765 -12.710 106 2HH2 ARG 16 2HH2 ARG 16 19.148 9.124 -11.178 107 H SER 17 H SER 17 15.470 3.947 -6.650 108 HA SER 17 HA SER 17 18.090 4.922 -6.181 109 1HB SER 17 1HB SER 17 15.940 5.584 -4.856 110 2HB SER 17 2HB SER 17 16.298 4.162 -3.831 111 HG SER 17 HG SER 17 17.237 6.142 -3.087 112 H GLN 18 H GLN 18 18.765 3.904 -3.636 113 HA GLN 18 HA GLN 18 19.523 1.104 -4.025 114 1HB GLN 18 1HB GLN 18 21.503 3.458 -3.749 115 2HB GLN 18 2HB GLN 18 21.931 1.741 -3.547 116 1HG GLN 18 1HG GLN 18 22.759 2.174 -5.668 117 2HG GLN 18 2HG GLN 18 21.206 1.358 -6.008 118 1HE2 GLN 18 1HE2 GLN 18 21.333 4.851 -5.052 119 2HE2 GLN 18 2HE2 GLN 18 20.987 5.448 -6.654 120 HA PRO 19 HA PRO 19 18.502 -0.284 -2.732 121 1HB PRO 19 1HB PRO 19 16.781 -0.974 -0.677 122 2HB PRO 19 2HB PRO 19 18.573 -1.294 -0.545 123 1HG PRO 19 1HG PRO 19 17.027 1.136 0.543 124 2HG PRO 19 2HG PRO 19 18.115 0.013 1.459 125 1HD PRO 19 1HD PRO 19 18.999 2.407 0.355 126 2HD PRO 19 2HD PRO 19 20.079 0.938 0.397 127 HA PRO 20 HA PRO 20 15.264 1.998 -4.388 128 1HB PRO 20 1HB PRO 20 13.236 0.252 -5.049 129 2HB PRO 20 2HB PRO 20 14.886 0.149 -5.767 130 1HG PRO 20 1HG PRO 20 13.863 -1.401 -3.326 131 2HG PRO 20 2HG PRO 20 14.572 -2.082 -4.856 132 1HD PRO 20 1HD PRO 20 16.152 -1.640 -2.662 133 2HD PRO 20 2HD PRO 20 16.767 -1.180 -4.326 134 H THR 21 H THR 21 13.781 3.468 -3.788 135 HA THR 21 HA THR 21 12.578 3.167 -1.178 136 HB THR 21 HB THR 21 12.315 5.431 -3.196 137 HG1 THR 21 HG1 THR 21 13.738 6.404 -1.637 138 1HG2 THR 21 1HG2 THR 21 10.431 5.343 -1.480 139 2HG2 THR 21 2HG2 THR 21 11.562 6.695 -1.139 140 3HG2 THR 21 3HG2 THR 21 11.659 5.176 -0.174 141 H CYS 22 H CYS 22 10.912 1.806 -1.062 142 HA CYS 22 HA CYS 22 8.940 1.844 -3.228 143 1HB CYS 22 1HB CYS 22 9.228 -0.204 -0.982 144 2HB CYS 22 2HB CYS 22 7.996 -0.250 -2.232 145 H ARG 23 H ARG 23 6.697 1.550 -2.675 146 HA ARG 23 HA ARG 23 5.565 2.676 -0.298 147 1HB ARG 23 1HB ARG 23 5.982 4.298 -2.874 148 2HB ARG 23 2HB ARG 23 4.440 4.474 -1.986 149 1HG ARG 23 1HG ARG 23 5.791 5.029 0.125 150 2HG ARG 23 2HG ARG 23 7.214 5.248 -0.963 151 1HD ARG 23 1HD ARG 23 6.111 7.438 -0.561 152 2HD ARG 23 2HD ARG 23 5.819 6.939 -2.291 153 HE ARG 23 HE ARG 23 3.853 6.212 -0.135 154 1HH1 ARG 23 1HH1 ARG 23 4.339 8.271 -3.068 155 2HH1 ARG 23 2HH1 ARG 23 2.687 8.205 -3.484 156 1HH2 ARG 23 1HH2 ARG 23 1.792 6.177 -0.683 157 2HH2 ARG 23 2HH2 ARG 23 1.132 6.988 -2.075 158 H CYS 24 H CYS 24 3.356 2.318 -0.317 159 HA CYS 24 HA CYS 24 2.322 0.701 -2.551 160 1HB CYS 24 1HB CYS 24 1.088 1.353 0.196 161 2HB CYS 24 2HB CYS 24 0.359 0.285 -1.036 162 H VAL 25 H VAL 25 1.922 2.225 -4.155 163 HA VAL 25 HA VAL 25 0.693 4.717 -3.554 164 HB VAL 25 HB VAL 25 0.473 5.132 -5.918 165 1HG1 VAL 25 1HG1 VAL 25 2.546 5.642 -4.611 166 2HG1 VAL 25 2HG1 VAL 25 2.930 5.176 -6.307 167 3HG1 VAL 25 3HG1 VAL 25 3.192 3.994 -4.963 168 1HG2 VAL 25 1HG2 VAL 25 1.697 2.308 -6.268 169 2HG2 VAL 25 2HG2 VAL 25 1.422 3.530 -7.558 170 3HG2 VAL 25 3HG2 VAL 25 0.016 2.791 -6.734 171 H ASP 26 H ASP 26 -0.550 1.622 -4.059 172 HA ASP 26 HA ASP 26 -3.235 2.470 -4.647 173 1HB ASP 26 1HB ASP 26 -2.161 0.226 -5.358 174 2HB ASP 26 2HB ASP 26 -2.405 -0.333 -3.669 175 HD2 ASP 26 HD2 ASP 26 -5.468 0.139 -6.249 176 H VAL 27 H VAL 27 -5.044 2.346 -3.270 177 HA VAL 27 HA VAL 27 -4.424 2.607 -0.428 178 HB VAL 27 HB VAL 27 -6.475 3.762 -0.177 179 1HG1 VAL 27 1HG1 VAL 27 -5.061 4.720 -2.753 180 2HG1 VAL 27 2HG1 VAL 27 -4.382 4.888 -1.091 181 3HG1 VAL 27 3HG1 VAL 27 -5.909 5.731 -1.523 182 1HG2 VAL 27 1HG2 VAL 27 -7.975 2.509 -1.678 183 2HG2 VAL 27 2HG2 VAL 27 -7.080 3.095 -3.135 184 3HG2 VAL 27 3HG2 VAL 27 -7.973 4.244 -2.089 185 H ARG 28 H ARG 28 -5.835 1.857 1.210 186 HA ARG 28 HA ARG 28 -7.458 -0.488 0.493 187 1HB ARG 28 1HB ARG 28 -5.896 0.241 3.005 188 2HB ARG 28 2HB ARG 28 -7.326 -0.841 3.111 189 1HG ARG 28 1HG ARG 28 -5.326 -2.144 3.164 190 2HG ARG 28 2HG ARG 28 -6.372 -2.551 1.752 191 1HD ARG 28 1HD ARG 28 -3.934 -2.567 1.149 192 2HD ARG 28 2HD ARG 28 -4.789 -1.205 0.287 193 HE ARG 28 HE ARG 28 -3.904 -0.271 2.819 194 1HH1 ARG 28 1HH1 ARG 28 -2.470 -1.258 -0.291 195 2HH1 ARG 28 2HH1 ARG 28 -1.586 0.225 -0.464 196 1HH2 ARG 28 1HH2 ARG 28 -2.793 1.558 2.591 197 2HH2 ARG 28 2HH2 ARG 28 -1.665 1.855 1.278 198 H GLU 29 H GLU 29 -9.341 -0.657 1.861 199 HA GLU 29 HA GLU 29 -11.017 1.549 2.091 200 1HB GLU 29 1HB GLU 29 -10.923 -1.237 3.312 201 2HB GLU 29 2HB GLU 29 -12.309 -0.138 3.600 202 1HG GLU 29 1HG GLU 29 -12.541 0.100 1.029 203 2HG GLU 29 2HG GLU 29 -11.389 -1.263 0.859 204 HE2 GLU 29 HE2 GLU 29 -14.915 -2.340 0.791 205 H SER 30 H SER 30 -8.583 0.509 4.227 206 HA SER 30 HA SER 30 -9.169 2.504 6.240 207 1HB SER 30 1HB SER 30 -9.287 -0.547 6.873 208 2HB SER 30 2HB SER 30 -9.248 0.733 8.144 209 HG SER 30 HG SER 30 -11.340 -0.107 7.644 210 H CYS 31 H CYS 31 -7.517 2.186 8.178 211 HA CYS 31 HA CYS 31 -4.932 1.919 7.054 212 1HB CYS 31 1HB CYS 31 -5.936 2.309 9.912 213 2HB CYS 31 2HB CYS 31 -4.175 2.393 9.443 214 H HIS 32 H HIS 32 -5.144 -0.305 6.272 215 HA HIS 32 HA HIS 32 -3.370 -1.736 8.110 216 1HB HIS 32 1HB HIS 32 -5.475 -3.083 6.354 217 2HB HIS 32 2HB HIS 32 -4.041 -3.932 7.088 218 HD1 HIS 32 HD1 HIS 32 -7.347 -3.864 7.641 219 HD2 HIS 32 HD2 HIS 32 -4.194 -2.782 10.166 220 HE1 HIS 32 HE1 HIS 32 -8.198 -4.061 9.976 221 HE2 HIS 32 HE2 HIS 32 -6.261 -3.424 11.512 222 H SER 33 H SER 33 -2.096 -0.214 7.055 223 HA SER 33 HA SER 33 -1.113 -1.201 4.458 224 1HB SER 33 1HB SER 33 -0.320 1.050 3.946 225 2HB SER 33 2HB SER 33 -1.971 1.255 4.627 226 HG SER 33 HG SER 33 -0.719 2.718 5.651 227 H ALA 34 H ALA 34 1.532 -0.205 4.552 228 HA ALA 34 HA ALA 34 2.631 -1.265 7.039 229 1HB ALA 34 1HB ALA 34 2.670 -3.059 5.278 230 2HB ALA 34 2HB ALA 34 4.342 -2.474 5.648 231 3HB ALA 34 3HB ALA 34 3.488 -1.910 4.150 232 H CYS 35 H CYS 35 2.147 1.277 6.825 233 HA CYS 35 HA CYS 35 4.773 2.541 6.399 234 1HB CYS 35 1HB CYS 35 1.930 3.472 5.714 235 2HB CYS 35 2HB CYS 35 3.283 4.644 5.851 236 H ASP 36 H ASP 36 5.209 4.329 7.850 237 HA ASP 36 HA ASP 36 3.963 4.268 10.356 238 1HB ASP 36 1HB ASP 36 6.288 5.144 9.922 239 2HB ASP 36 2HB ASP 36 5.597 6.611 9.163 240 HD2 ASP 36 HD2 ASP 36 6.104 7.745 12.424 241 H LYS 37 H LYS 37 3.499 6.840 7.798 242 HA LYS 37 HA LYS 37 1.125 7.670 9.194 243 1HB LYS 37 1HB LYS 37 3.000 9.163 8.218 244 2HB LYS 37 2HB LYS 37 2.260 8.865 6.651 245 1HG LYS 37 1HG LYS 37 1.382 10.933 7.442 246 2HG LYS 37 2HG LYS 37 0.034 9.786 7.719 247 1HD LYS 37 1HD LYS 37 0.557 9.690 10.143 248 2HD LYS 37 2HD LYS 37 2.169 10.436 9.876 249 1HE LYS 37 1HE LYS 37 0.694 12.080 10.918 250 2HE LYS 37 2HE LYS 37 1.117 12.601 9.240 251 1HZ LYS 37 1HZ LYS 37 -1.413 11.293 10.107 252 2HZ LYS 37 2HZ LYS 37 -1.019 11.736 8.514 253 3HZ LYS 37 3HZ LYS 37 -1.188 12.929 9.708 254 H CYS 38 H CYS 38 -0.696 6.536 8.881 255 HA CYS 38 HA CYS 38 -1.587 5.875 6.187 256 1HB CYS 38 1HB CYS 38 -1.955 4.376 8.238 257 2HB CYS 38 2HB CYS 38 -2.873 5.731 8.985 258 H VAL 39 H VAL 39 -2.390 7.651 4.988 259 HA VAL 39 HA VAL 39 -3.930 9.639 6.527 260 HB VAL 39 HB VAL 39 -1.717 9.819 4.738 261 1HG1 VAL 39 1HG1 VAL 39 -2.608 11.303 2.983 262 2HG1 VAL 39 2HG1 VAL 39 -4.283 10.927 3.462 263 3HG1 VAL 39 3HG1 VAL 39 -3.231 9.614 2.806 264 1HG2 VAL 39 1HG2 VAL 39 -2.288 11.378 6.626 265 2HG2 VAL 39 2HG2 VAL 39 -3.706 11.973 5.661 266 3HG2 VAL 39 3HG2 VAL 39 -2.034 12.236 5.055 267 H CYS 40 H CYS 40 -6.133 10.109 5.534 268 HA CYS 40 HA CYS 40 -6.840 8.211 3.387 269 1HB CYS 40 1HB CYS 40 -8.330 8.628 5.995 270 2HB CYS 40 2HB CYS 40 -8.892 7.619 4.664 271 H ALA 41 H ALA 41 -7.950 9.071 1.893 272 HA ALA 41 HA ALA 41 -9.203 11.649 2.147 273 1HB ALA 41 1HB ALA 41 -8.294 10.866 -0.026 274 2HB ALA 41 2HB ALA 41 -10.007 11.397 -0.073 275 3HB ALA 41 3HB ALA 41 -9.611 9.632 -0.093 276 H TYR 42 H TYR 42 -11.182 12.141 2.637 277 HA TYR 42 HA TYR 42 -12.588 10.279 4.179 278 1HB TYR 42 1HB TYR 42 -13.927 12.475 4.747 279 2HB TYR 42 2HB TYR 42 -12.154 12.403 5.067 280 HD1 TYR 42 HD1 TYR 42 -14.632 13.532 2.449 281 HD2 TYR 42 HD2 TYR 42 -10.642 13.972 4.035 282 HE1 TYR 42 HE1 TYR 42 -14.232 15.436 0.960 283 HE2 TYR 42 HE2 TYR 42 -10.258 15.861 2.553 284 HH TYR 42 HH TYR 42 -12.896 17.180 0.510 285 H SER 43 H SER 43 -12.814 10.737 1.079 286 HA SER 43 HA SER 43 -15.483 10.832 0.320 287 1HB SER 43 1HB SER 43 -13.249 9.228 -1.062 288 2HB SER 43 2HB SER 43 -14.791 9.883 -1.810 289 HG SER 43 HG SER 43 -12.946 11.184 -2.210 290 H ASN 44 H ASN 44 -16.800 9.156 -0.654 291 HA ASN 44 HA ASN 44 -16.691 6.625 0.683 292 1HB ASN 44 1HB ASN 44 -18.923 6.291 -0.172 293 2HB ASN 44 2HB ASN 44 -18.757 7.853 0.619 294 1HD2 ASN 44 1HD2 ASN 44 -19.513 6.373 -2.535 295 2HD2 ASN 44 2HD2 ASN 44 -19.879 7.875 -3.293 296 HA PRO 45 HA PRO 45 -16.024 4.763 0.794 297 1HB PRO 45 1HB PRO 45 -14.451 2.582 0.309 298 2HB PRO 45 2HB PRO 45 -16.145 2.594 -0.206 299 1HG PRO 45 1HG PRO 45 -13.705 3.297 -1.937 300 2HG PRO 45 2HG PRO 45 -15.017 2.130 -2.328 301 1HD PRO 45 1HD PRO 45 -15.012 4.807 -3.180 302 2HD PRO 45 2HD PRO 45 -16.560 3.911 -2.829 303 HA PRO 46 HA PRO 46 -12.431 6.977 1.595 304 1HB PRO 46 1HB PRO 46 -11.263 5.777 3.878 305 2HB PRO 46 2HB PRO 46 -12.701 6.863 3.853 306 1HG PRO 46 1HG PRO 46 -12.676 3.815 3.802 307 2HG PRO 46 2HG PRO 46 -13.667 4.941 4.843 308 1HD PRO 46 1HD PRO 46 -14.681 3.746 2.582 309 2HD PRO 46 2HD PRO 46 -15.036 5.562 2.936 310 H GLN 47 H GLN 47 -10.168 7.232 1.414 311 HA GLN 47 HA GLN 47 -8.920 4.914 0.037 312 1HB GLN 47 1HB GLN 47 -8.624 7.844 -0.748 313 2HB GLN 47 2HB GLN 47 -8.010 6.413 -1.632 314 1HG GLN 47 1HG GLN 47 -11.035 6.948 -1.234 315 2HG GLN 47 2HG GLN 47 -10.086 7.610 -2.595 316 1HE2 GLN 47 1HE2 GLN 47 -10.890 4.432 -1.036 317 2HE2 GLN 47 2HE2 GLN 47 -10.762 3.511 -2.501 318 H CYS 48 H CYS 48 -7.905 4.222 1.806 319 HA CYS 48 HA CYS 48 -6.217 6.070 3.288 320 1HB CYS 48 1HB CYS 48 -6.851 3.155 3.814 321 2HB CYS 48 2HB CYS 48 -5.696 4.166 4.766 322 H GLN 49 H GLN 49 -4.322 6.599 2.786 323 HA GLN 49 HA GLN 49 -2.837 5.058 0.818 324 1HB GLN 49 1HB GLN 49 -2.900 7.957 1.718 325 2HB GLN 49 2HB GLN 49 -1.626 7.351 0.593 326 1HG GLN 49 1HG GLN 49 -3.340 6.797 -1.102 327 2HG GLN 49 2HG GLN 49 -4.666 7.299 -0.008 328 1HE2 GLN 49 1HE2 GLN 49 -4.426 9.622 0.847 329 2HE2 GLN 49 2HE2 GLN 49 -3.875 10.836 -0.265 330 H CYS 50 H CYS 50 -0.764 4.624 1.027 331 HA CYS 50 HA CYS 50 0.369 4.558 3.738 332 1HB CYS 50 1HB CYS 50 0.106 2.598 1.906 333 2HB CYS 50 2HB CYS 50 1.500 3.351 1.122 334 H TYR 51 H TYR 51 0.770 6.797 3.859 335 HA TYR 51 HA TYR 51 2.103 8.301 1.941 336 1HB TYR 51 1HB TYR 51 1.061 8.773 4.663 337 2HB TYR 51 2HB TYR 51 2.669 9.520 4.529 338 HD1 TYR 51 HD1 TYR 51 -0.432 9.013 2.438 339 HD2 TYR 51 HD2 TYR 51 2.608 11.816 3.689 340 HE1 TYR 51 HE1 TYR 51 -1.144 10.603 0.715 341 HE2 TYR 51 HE2 TYR 51 1.770 13.425 2.133 342 HH TYR 51 HH TYR 51 -0.088 12.439 -0.557 343 H ASP 52 H ASP 52 3.495 6.461 4.465 344 HA ASP 52 HA ASP 52 6.086 7.734 4.078 345 1HB ASP 52 1HB ASP 52 5.045 6.915 6.374 346 2HB ASP 52 2HB ASP 52 5.668 5.304 5.916 347 HD2 ASP 52 HD2 ASP 52 8.166 8.446 6.590 348 H THR 53 H THR 53 8.128 6.472 3.870 349 HA THR 53 HA THR 53 7.930 4.757 1.597 350 HB THR 53 HB THR 53 10.429 4.667 1.685 351 HG1 THR 53 HG1 THR 53 11.427 6.086 3.073 352 1HG2 THR 53 1HG2 THR 53 9.132 6.354 0.369 353 2HG2 THR 53 2HG2 THR 53 10.629 7.079 1.046 354 3HG2 THR 53 3HG2 THR 53 9.039 7.447 1.790 355 H HIS 54 H HIS 54 9.045 2.624 1.341 356 HA HIS 54 HA HIS 54 9.621 1.285 3.784 357 1HB HIS 54 1HB HIS 54 7.010 0.933 2.836 358 2HB HIS 54 2HB HIS 54 7.869 -0.384 1.976 359 HD1 HIS 54 HD1 HIS 54 6.912 -2.226 3.073 360 HD2 HIS 54 HD2 HIS 54 8.280 0.500 5.946 361 HE1 HIS 54 HE1 HIS 54 6.639 -3.319 5.301 362 HE2 HIS 54 HE2 HIS 54 7.440 -1.635 7.037 363 H LYS 55 H LYS 55 10.928 -0.572 3.384 364 HA LYS 55 HA LYS 55 12.065 -0.701 0.667 365 1HB LYS 55 1HB LYS 55 13.967 -1.824 1.713 366 2HB LYS 55 2HB LYS 55 13.597 -0.313 2.584 367 1HG LYS 55 1HG LYS 55 12.575 -1.536 4.447 368 2HG LYS 55 2HG LYS 55 12.680 -3.093 3.555 369 1HD LYS 55 1HD LYS 55 15.136 -3.041 3.693 370 2HD LYS 55 2HD LYS 55 15.108 -1.355 4.320 371 1HE LYS 55 1HE LYS 55 15.508 -2.976 6.175 372 2HE LYS 55 2HE LYS 55 13.954 -2.072 6.386 373 1HZ LYS 55 1HZ LYS 55 14.231 -4.836 5.307 374 2HZ LYS 55 2HZ LYS 55 12.781 -3.972 5.485 375 3HZ LYS 55 3HZ LYS 55 13.689 -4.400 6.856 376 H PHE 56 H PHE 56 9.431 -1.940 1.448 377 HA PHE 56 HA PHE 56 9.974 -4.730 0.747 378 1HB PHE 56 1HB PHE 56 10.281 -4.451 3.297 379 2HB PHE 56 2HB PHE 56 8.541 -4.029 3.404 380 HD1 PHE 56 HD1 PHE 56 6.838 -5.791 3.017 381 HD2 PHE 56 HD2 PHE 56 11.029 -6.656 2.657 382 HE1 PHE 56 HE1 PHE 56 6.341 -8.193 3.149 383 HE2 PHE 56 HE2 PHE 56 10.545 -9.061 2.775 384 HZ PHE 56 HZ PHE 56 8.198 -9.855 3.024 385 H CYS 57 H CYS 57 8.293 -5.723 -0.197 386 HA CYS 57 HA CYS 57 5.878 -4.095 -0.750 387 1HB CYS 57 1HB CYS 57 7.399 -4.293 -2.686 388 2HB CYS 57 2HB CYS 57 7.451 -6.054 -2.505 389 H TYR 58 H TYR 58 4.051 -4.887 -0.025 390 HA TYR 58 HA TYR 58 3.881 -7.712 0.769 391 1HB TYR 58 1HB TYR 58 2.041 -5.321 1.193 392 2HB TYR 58 2HB TYR 58 1.373 -6.976 1.228 393 HD1 TYR 58 HD1 TYR 58 1.505 -8.243 3.226 394 HD2 TYR 58 HD2 TYR 58 4.259 -4.948 2.680 395 HE1 TYR 58 HE1 TYR 58 2.295 -8.530 5.458 396 HE2 TYR 58 HE2 TYR 58 5.048 -5.260 4.960 397 HH TYR 58 HH TYR 58 3.384 -7.466 7.176 398 H LYS 59 H LYS 59 2.454 -9.119 -0.005 399 HA LYS 59 HA LYS 59 1.964 -9.321 -2.700 400 1HB LYS 59 1HB LYS 59 0.727 -10.804 -0.342 401 2HB LYS 59 2HB LYS 59 0.556 -11.268 -2.068 402 1HG LYS 59 1HG LYS 59 2.477 -12.470 -1.879 403 2HG LYS 59 2HG LYS 59 3.347 -10.926 -1.783 404 1HD LYS 59 1HD LYS 59 4.198 -11.904 0.087 405 2HD LYS 59 2HD LYS 59 2.770 -11.184 0.894 406 1HE LYS 59 1HE LYS 59 3.022 -14.088 -0.128 407 2HE LYS 59 2HE LYS 59 3.158 -13.522 1.581 408 1HZ LYS 59 1HZ LYS 59 0.884 -12.720 1.424 409 2HZ LYS 59 2HZ LYS 59 1.009 -14.394 1.145 410 3HZ LYS 59 3HZ LYS 59 0.762 -13.332 -0.161 411 H ALA 60 H ALA 60 0.053 -9.492 -3.933 412 HA ALA 60 HA ALA 60 -1.746 -7.339 -3.374 413 1HB ALA 60 1HB ALA 60 -2.593 -7.894 -5.690 414 2HB ALA 60 2HB ALA 60 -1.541 -9.363 -5.675 415 3HB ALA 60 3HB ALA 60 -0.789 -7.741 -5.627 416 H CYS 61 H CYS 61 -3.934 -7.348 -3.081 417 HA CYS 61 HA CYS 61 -5.468 -9.562 -3.529 418 1HB CYS 61 1HB CYS 61 -6.445 -10.006 -1.417 419 2HB CYS 61 2HB CYS 61 -4.679 -10.008 -1.122 420 H HIS 62 H HIS 62 -7.804 -8.922 -3.142 421 HA HIS 62 HA HIS 62 -8.109 -6.189 -4.148 422 1HB HIS 62 1HB HIS 62 -10.262 -8.334 -3.670 423 2HB HIS 62 2HB HIS 62 -10.451 -6.856 -4.643 424 HD1 HIS 62 HD1 HIS 62 -8.193 -6.925 -6.553 425 HD2 HIS 62 HD2 HIS 62 -10.168 -10.415 -5.359 426 HE1 HIS 62 HE1 HIS 62 -7.845 -8.604 -8.361 427 HE2 HIS 62 HE2 HIS 62 -9.034 -10.732 -7.621 428 H ASN 63 H ASN 63 -9.891 -4.739 -3.201 429 HA ASN 63 HA ASN 63 -11.483 -5.409 -1.191 430 1HB ASN 63 1HB ASN 63 -10.797 -4.056 0.737 431 2HB ASN 63 2HB ASN 63 -9.637 -5.358 0.452 432 1HD2 ASN 63 1HD2 ASN 63 -7.563 -4.583 -0.911 433 2HD2 ASN 63 2HD2 ASN 63 -7.009 -2.991 -0.609 434 H SER 64 H SER 64 -9.590 -2.602 -2.152 435 HA SER 64 HA SER 64 -12.032 -1.295 -3.216 436 1HB SER 64 1HB SER 64 -10.892 -0.100 -1.276 437 2HB SER 64 2HB SER 64 -9.409 -0.032 -2.242 438 HG SER 64 HG SER 64 -11.882 1.128 -3.146 439 H GLU 65 H GLU 65 -11.126 -3.213 -4.828 440 HA GLU 65 HA GLU 65 -8.862 -2.554 -6.366 441 1HB GLU 65 1HB GLU 65 -9.569 -4.902 -5.994 442 2HB GLU 65 2HB GLU 65 -10.998 -4.647 -7.012 443 1HG GLU 65 1HG GLU 65 -9.276 -5.734 -8.362 444 2HG GLU 65 2HG GLU 65 -9.457 -4.057 -8.975 445 HE2 GLU 65 HE2 GLU 65 -6.107 -5.233 -7.091 446 H ILE 66 H ILE 66 -12.268 -2.591 -7.321 447 HA ILE 66 HA ILE 66 -11.625 -1.035 -9.723 448 HB ILE 66 HB ILE 66 -14.272 -2.244 -8.802 449 1HG1 ILE 66 1HG1 ILE 66 -12.403 -3.030 -11.122 450 2HG1 ILE 66 2HG1 ILE 66 -12.435 -3.882 -9.557 451 1HG2 ILE 66 1HG2 ILE 66 -14.618 -0.134 -10.153 452 2HG2 ILE 66 2HG2 ILE 66 -15.049 -1.570 -11.117 453 3HG2 ILE 66 3HG2 ILE 66 -13.474 -0.747 -11.398 454 1HD1 ILE 66 1HD1 ILE 66 -14.822 -3.662 -11.509 455 2HD1 ILE 66 2HD1 ILE 66 -14.875 -4.433 -9.882 456 3HD1 ILE 66 3HD1 ILE 66 -13.814 -5.110 -11.178 457 H GLU 67 H GLU 67 -13.967 -0.831 -6.972 458 HA GLU 67 HA GLU 67 -12.838 1.709 -6.326 459 1HB GLU 67 1HB GLU 67 -15.835 1.015 -6.340 460 2HB GLU 67 2HB GLU 67 -15.141 2.391 -5.405 461 1HG GLU 67 1HG GLU 67 -14.496 3.587 -7.444 462 2HG GLU 67 2HG GLU 67 -14.790 2.143 -8.471 463 HE2 GLU 67 HE2 GLU 67 -18.206 2.533 -8.576 Start of MODEL 20 1 1H GLY 1 1H GLY 1 -3.618 -20.482 10.728 2 2H GLY 1 2H GLY 1 -2.926 -19.628 12.024 3 3H GLY 1 3H GLY 1 -1.929 -20.431 10.908 4 1HA GLY 1 1HA GLY 1 -2.604 -18.992 9.170 5 2HA GLY 1 2HA GLY 1 -3.696 -18.148 10.334 6 H ASP 2 H ASP 2 -2.391 -16.279 9.381 7 HA ASP 2 HA ASP 2 -0.318 -15.565 11.281 8 1HB ASP 2 1HB ASP 2 0.314 -15.789 8.229 9 2HB ASP 2 2HB ASP 2 1.321 -14.881 9.415 10 HD2 ASP 2 HD2 ASP 2 1.685 -18.796 9.105 11 H ASP 3 H ASP 3 -0.876 -13.452 11.788 12 HA ASP 3 HA ASP 3 -1.230 -11.669 9.630 13 1HB ASP 3 1HB ASP 3 -3.620 -12.898 10.553 14 2HB ASP 3 2HB ASP 3 -3.621 -11.364 11.465 15 HD2 ASP 3 HD2 ASP 3 -2.898 -12.691 8.389 16 H VAL 4 H VAL 4 0.723 -11.196 10.573 17 HA VAL 4 HA VAL 4 0.491 -9.520 12.987 18 HB VAL 4 HB VAL 4 1.687 -11.479 13.476 19 1HG1 VAL 4 1HG1 VAL 4 2.650 -12.140 11.288 20 2HG1 VAL 4 2HG1 VAL 4 3.824 -12.114 12.630 21 3HG1 VAL 4 3HG1 VAL 4 3.877 -10.809 11.423 22 1HG2 VAL 4 1HG2 VAL 4 3.684 -10.391 14.493 23 2HG2 VAL 4 2HG2 VAL 4 2.265 -9.291 14.596 24 3HG2 VAL 4 3HG2 VAL 4 3.551 -8.997 13.370 25 H LYS 5 H LYS 5 2.773 -9.613 10.111 26 HA LYS 5 HA LYS 5 2.680 -6.693 10.233 27 1HB LYS 5 1HB LYS 5 4.764 -8.610 9.076 28 2HB LYS 5 2HB LYS 5 4.923 -6.827 9.182 29 1HG LYS 5 1HG LYS 5 4.635 -7.095 11.757 30 2HG LYS 5 2HG LYS 5 4.766 -8.862 11.497 31 1HD LYS 5 1HD LYS 5 7.049 -8.472 10.410 32 2HD LYS 5 2HD LYS 5 6.930 -6.757 10.947 33 1HE LYS 5 1HE LYS 5 6.621 -7.593 13.351 34 2HE LYS 5 2HE LYS 5 6.861 -9.283 12.750 35 1HZ LYS 5 1HZ LYS 5 8.872 -8.406 13.611 36 2HZ LYS 5 2HZ LYS 5 8.808 -7.040 12.606 37 3HZ LYS 5 3HZ LYS 5 9.037 -8.582 11.929 38 H SER 6 H SER 6 0.801 -8.572 8.929 39 HA SER 6 HA SER 6 1.003 -8.585 6.169 40 1HB SER 6 1HB SER 6 -1.591 -8.346 7.803 41 2HB SER 6 2HB SER 6 -1.480 -8.800 6.060 42 HG SER 6 HG SER 6 -1.596 -10.648 7.139 43 H ALA 7 H ALA 7 0.629 -7.181 4.478 44 HA ALA 7 HA ALA 7 -0.652 -4.595 5.053 45 1HB ALA 7 1HB ALA 7 1.858 -4.347 4.891 46 2HB ALA 7 2HB ALA 7 1.064 -3.620 3.444 47 3HB ALA 7 3HB ALA 7 1.840 -5.262 3.344 48 H CYS 8 H CYS 8 -1.629 -3.679 3.127 49 HA CYS 8 HA CYS 8 -2.149 -5.653 0.981 50 1HB CYS 8 1HB CYS 8 -4.145 -5.496 2.376 51 2HB CYS 8 2HB CYS 8 -4.191 -3.717 2.177 52 H CYS 9 H CYS 9 -1.443 -4.963 -0.978 53 HA CYS 9 HA CYS 9 -1.355 -2.040 -1.450 54 1HB CYS 9 1HB CYS 9 0.753 -4.218 -1.865 55 2HB CYS 9 2HB CYS 9 0.866 -2.616 -2.673 56 H ASP 10 H ASP 10 -2.813 -1.741 -3.158 57 HA ASP 10 HA ASP 10 -3.234 -3.850 -5.044 58 1HB ASP 10 1HB ASP 10 -4.297 -1.057 -4.557 59 2HB ASP 10 2HB ASP 10 -4.294 -1.555 -6.238 60 HD2 ASP 10 HD2 ASP 10 -5.347 -2.567 -3.083 61 H THR 11 H THR 11 -1.049 -1.171 -4.917 62 HA THR 11 HA THR 11 0.465 -2.251 -7.150 63 HB THR 11 HB THR 11 -0.406 0.693 -7.083 64 HG1 THR 11 HG1 THR 11 -1.389 0.226 -9.029 65 1HG2 THR 11 1HG2 THR 11 1.959 0.360 -7.927 66 2HG2 THR 11 2HG2 THR 11 0.866 0.779 -9.265 67 3HG2 THR 11 3HG2 THR 11 1.366 -0.940 -9.037 68 H CYS 12 H CYS 12 2.154 -2.619 -6.046 69 HA CYS 12 HA CYS 12 3.392 -0.751 -4.200 70 1HB CYS 12 1HB CYS 12 3.448 -3.187 -3.722 71 2HB CYS 12 2HB CYS 12 4.319 -3.461 -5.292 72 H LEU 13 H LEU 13 4.522 0.992 -5.000 73 HA LEU 13 HA LEU 13 6.040 0.681 -7.479 74 1HB LEU 13 1HB LEU 13 4.731 2.687 -7.204 75 2HB LEU 13 2HB LEU 13 5.509 3.068 -5.639 76 HG LEU 13 HG LEU 13 7.247 2.735 -8.138 77 1HD1 LEU 13 1HD1 LEU 13 5.263 4.076 -8.868 78 2HD1 LEU 13 2HD1 LEU 13 6.776 5.065 -8.840 79 3HD1 LEU 13 3HD1 LEU 13 5.558 5.237 -7.524 80 1HD2 LEU 13 1HD2 LEU 13 8.522 4.636 -7.102 81 2HD2 LEU 13 2HD2 LEU 13 8.354 3.297 -5.911 82 3HD2 LEU 13 3HD2 LEU 13 7.304 4.754 -5.784 83 H CYS 14 H CYS 14 8.221 0.500 -7.455 84 HA CYS 14 HA CYS 14 9.700 0.917 -4.989 85 1HB CYS 14 1HB CYS 14 9.681 -1.583 -6.750 86 2HB CYS 14 2HB CYS 14 11.105 -1.168 -5.782 87 H THR 15 H THR 15 11.699 1.631 -5.264 88 HA THR 15 HA THR 15 12.161 2.888 -7.840 89 HB THR 15 HB THR 15 13.976 4.068 -6.805 90 HG1 THR 15 HG1 THR 15 14.118 3.857 -4.497 91 1HG2 THR 15 1HG2 THR 15 11.406 3.991 -5.056 92 2HG2 THR 15 2HG2 THR 15 11.597 4.870 -6.613 93 3HG2 THR 15 3HG2 THR 15 12.569 5.356 -5.177 94 H ARG 16 H ARG 16 14.023 2.770 -9.059 95 HA ARG 16 HA ARG 16 15.540 0.281 -8.946 96 1HB ARG 16 1HB ARG 16 15.681 2.685 -10.860 97 2HB ARG 16 2HB ARG 16 16.591 1.143 -11.050 98 1HG ARG 16 1HG ARG 16 14.501 -0.127 -11.230 99 2HG ARG 16 2HG ARG 16 13.518 1.366 -11.021 100 1HD ARG 16 1HD ARG 16 14.495 2.296 -13.178 101 2HD ARG 16 2HD ARG 16 15.434 0.760 -13.376 102 HE ARG 16 HE ARG 16 13.426 -0.436 -13.800 103 1HH1 ARG 16 1HH1 ARG 16 12.647 2.970 -12.995 104 2HH1 ARG 16 2HH1 ARG 16 10.955 2.776 -13.326 105 1HH2 ARG 16 1HH2 ARG 16 11.173 -0.643 -14.213 106 2HH2 ARG 16 2HH2 ARG 16 10.110 0.715 -14.021 107 H SER 17 H SER 17 15.651 2.595 -6.964 108 HA SER 17 HA SER 17 18.177 3.870 -7.124 109 1HB SER 17 1HB SER 17 16.147 4.749 -5.832 110 2HB SER 17 2HB SER 17 16.583 3.573 -4.542 111 HG SER 17 HG SER 17 17.502 5.515 -4.066 112 H GLN 18 H GLN 18 19.405 3.837 -4.874 113 HA GLN 18 HA GLN 18 20.279 1.151 -4.160 114 1HB GLN 18 1HB GLN 18 21.335 1.780 -6.387 115 2HB GLN 18 2HB GLN 18 22.087 3.179 -5.581 116 1HG GLN 18 1HG GLN 18 23.132 1.438 -3.910 117 2HG GLN 18 2HG GLN 18 22.586 0.158 -5.048 118 1HE2 GLN 18 1HE2 GLN 18 25.177 2.058 -4.195 119 2HE2 GLN 18 2HE2 GLN 18 26.053 2.095 -5.709 120 HA PRO 19 HA PRO 19 20.047 0.480 -2.164 121 1HB PRO 19 1HB PRO 19 18.975 0.751 0.386 122 2HB PRO 19 2HB PRO 19 20.773 0.593 0.091 123 1HG PRO 19 1HG PRO 19 19.184 3.186 0.482 124 2HG PRO 19 2HG PRO 19 20.672 2.632 1.357 125 1HD PRO 19 1HD PRO 19 20.800 4.312 -0.854 126 2HD PRO 19 2HD PRO 19 22.065 3.038 -0.557 127 HA PRO 20 HA PRO 20 16.098 1.513 -3.631 128 1HB PRO 20 1HB PRO 20 14.616 -0.790 -3.334 129 2HB PRO 20 2HB PRO 20 16.156 -0.787 -4.279 130 1HG PRO 20 1HG PRO 20 15.798 -1.523 -1.321 131 2HG PRO 20 2HG PRO 20 16.535 -2.548 -2.621 132 1HD PRO 20 1HD PRO 20 18.080 -0.951 -0.971 133 2HD PRO 20 2HD PRO 20 18.471 -1.127 -2.753 134 H THR 21 H THR 21 13.713 1.582 -3.264 135 HA THR 21 HA THR 21 12.835 2.039 -0.488 136 HB THR 21 HB THR 21 12.984 4.157 -2.735 137 HG1 THR 21 HG1 THR 21 14.414 4.033 -0.266 138 1HG2 THR 21 1HG2 THR 21 12.290 5.787 -0.972 139 2HG2 THR 21 2HG2 THR 21 12.080 4.441 0.210 140 3HG2 THR 21 3HG2 THR 21 11.027 4.559 -1.266 141 H CYS 22 H CYS 22 10.513 1.948 -0.407 142 HA CYS 22 HA CYS 22 9.101 1.780 -2.972 143 1HB CYS 22 1HB CYS 22 9.005 -0.441 -0.834 144 2HB CYS 22 2HB CYS 22 8.016 -0.411 -2.283 145 H ARG 23 H ARG 23 6.772 1.517 -2.646 146 HA ARG 23 HA ARG 23 5.503 2.377 -0.271 147 1HB ARG 23 1HB ARG 23 6.746 4.451 -0.653 148 2HB ARG 23 2HB ARG 23 6.288 4.480 -2.378 149 1HG ARG 23 1HG ARG 23 4.186 4.736 -0.135 150 2HG ARG 23 2HG ARG 23 5.197 6.115 -0.660 151 1HD ARG 23 1HD ARG 23 4.423 5.760 -3.077 152 2HD ARG 23 2HD ARG 23 3.251 4.544 -2.457 153 HE ARG 23 HE ARG 23 1.889 6.201 -1.730 154 1HH1 ARG 23 1HH1 ARG 23 5.097 7.730 -2.212 155 2HH1 ARG 23 2HH1 ARG 23 4.443 9.310 -2.416 156 1HH2 ARG 23 1HH2 ARG 23 1.060 8.207 -2.031 157 2HH2 ARG 23 2HH2 ARG 23 2.044 9.617 -2.282 158 H CYS 24 H CYS 24 3.369 1.981 -0.532 159 HA CYS 24 HA CYS 24 2.597 0.855 -3.114 160 1HB CYS 24 1HB CYS 24 1.184 0.793 -0.406 161 2HB CYS 24 2HB CYS 24 0.586 0.007 -1.901 162 H VAL 25 H VAL 25 2.048 2.288 -4.596 163 HA VAL 25 HA VAL 25 1.110 4.854 -3.955 164 HB VAL 25 HB VAL 25 1.019 5.255 -6.387 165 1HG1 VAL 25 1HG1 VAL 25 2.960 5.760 -4.947 166 2HG1 VAL 25 2HG1 VAL 25 3.515 5.183 -6.558 167 3HG1 VAL 25 3HG1 VAL 25 3.581 4.075 -5.135 168 1HG2 VAL 25 1HG2 VAL 25 0.578 2.941 -7.287 169 2HG2 VAL 25 2HG2 VAL 25 2.158 2.370 -6.621 170 3HG2 VAL 25 3HG2 VAL 25 2.109 3.613 -7.905 171 H ASP 26 H ASP 26 -0.553 2.003 -5.110 172 HA ASP 26 HA ASP 26 -2.900 3.661 -5.651 173 1HB ASP 26 1HB ASP 26 -2.326 1.868 -7.252 174 2HB ASP 26 2HB ASP 26 -2.693 0.625 -6.001 175 HD2 ASP 26 HD2 ASP 26 -5.743 2.969 -7.314 176 H VAL 27 H VAL 27 -4.593 3.923 -4.462 177 HA VAL 27 HA VAL 27 -4.469 3.381 -1.745 178 HB VAL 27 HB VAL 27 -6.558 4.485 -1.474 179 1HG1 VAL 27 1HG1 VAL 27 -4.441 5.780 -1.946 180 2HG1 VAL 27 2HG1 VAL 27 -5.941 6.634 -2.453 181 3HG1 VAL 27 3HG1 VAL 27 -4.895 5.856 -3.688 182 1HG2 VAL 27 1HG2 VAL 27 -7.922 5.247 -3.377 183 2HG2 VAL 27 2HG2 VAL 27 -7.862 3.453 -3.318 184 3HG2 VAL 27 3HG2 VAL 27 -6.877 4.343 -4.543 185 H ARG 28 H ARG 28 -6.053 2.557 -0.338 186 HA ARG 28 HA ARG 28 -7.311 0.070 -1.255 187 1HB ARG 28 1HB ARG 28 -6.394 -1.049 0.816 188 2HB ARG 28 2HB ARG 28 -5.173 -0.686 -0.405 189 1HG ARG 28 1HG ARG 28 -5.586 1.283 1.872 190 2HG ARG 28 2HG ARG 28 -4.759 -0.277 2.155 191 1HD ARG 28 1HD ARG 28 -3.036 0.230 0.423 192 2HD ARG 28 2HD ARG 28 -3.814 1.790 0.060 193 HE ARG 28 HE ARG 28 -3.186 2.684 2.143 194 1HH1 ARG 28 1HH1 ARG 28 -2.221 -0.805 2.082 195 2HH1 ARG 28 2HH1 ARG 28 -1.410 -0.679 3.600 196 1HH2 ARG 28 1HH2 ARG 28 -2.097 2.723 4.171 197 2HH2 ARG 28 2HH2 ARG 28 -1.332 1.283 4.771 198 H GLU 29 H GLU 29 -8.472 -0.899 0.801 199 HA GLU 29 HA GLU 29 -10.541 0.758 1.629 200 1HB GLU 29 1HB GLU 29 -9.333 -1.897 2.412 201 2HB GLU 29 2HB GLU 29 -10.563 -1.228 3.519 202 1HG GLU 29 1HG GLU 29 -10.973 -1.734 0.492 203 2HG GLU 29 2HG GLU 29 -11.545 -2.831 1.802 204 HE2 GLU 29 HE2 GLU 29 -12.783 -1.826 3.369 205 H SER 30 H SER 30 -7.656 -0.212 3.442 206 HA SER 30 HA SER 30 -7.987 1.961 5.338 207 1HB SER 30 1HB SER 30 -8.479 -0.990 6.119 208 2HB SER 30 2HB SER 30 -8.105 0.273 7.344 209 HG SER 30 HG SER 30 -10.331 -0.016 7.120 210 H CYS 31 H CYS 31 -6.352 1.589 7.266 211 HA CYS 31 HA CYS 31 -3.767 0.883 6.214 212 1HB CYS 31 1HB CYS 31 -4.723 1.546 9.083 213 2HB CYS 31 2HB CYS 31 -3.000 1.625 8.497 214 H HIS 32 H HIS 32 -2.350 -0.756 7.464 215 HA HIS 32 HA HIS 32 -3.986 -2.641 9.052 216 1HB HIS 32 1HB HIS 32 -3.655 -3.255 6.531 217 2HB HIS 32 2HB HIS 32 -1.982 -3.712 6.998 218 HD1 HIS 32 HD1 HIS 32 -5.620 -4.274 7.626 219 HD2 HIS 32 HD2 HIS 32 -2.049 -6.308 8.387 220 HE1 HIS 32 HE1 HIS 32 -6.258 -6.530 8.452 221 HE2 HIS 32 HE2 HIS 32 -4.066 -7.793 8.887 222 H SER 33 H SER 33 -0.552 -2.077 8.031 223 HA SER 33 HA SER 33 0.257 -2.308 10.796 224 1HB SER 33 1HB SER 33 1.033 -4.434 8.687 225 2HB SER 33 2HB SER 33 1.971 -4.196 10.205 226 HG SER 33 HG SER 33 0.000 -4.626 11.349 227 H ALA 34 H ALA 34 1.897 -2.589 7.528 228 HA ALA 34 HA ALA 34 4.167 -1.511 8.901 229 1HB ALA 34 1HB ALA 34 4.322 -3.640 7.610 230 2HB ALA 34 2HB ALA 34 5.416 -2.397 6.902 231 3HB ALA 34 3HB ALA 34 3.839 -2.764 6.109 232 H CYS 35 H CYS 35 2.283 0.417 8.458 233 HA CYS 35 HA CYS 35 3.958 2.299 6.908 234 1HB CYS 35 1HB CYS 35 1.717 1.727 5.855 235 2HB CYS 35 2HB CYS 35 0.922 2.468 7.293 236 H ASP 36 H ASP 36 4.318 4.377 7.813 237 HA ASP 36 HA ASP 36 3.520 4.743 10.614 238 1HB ASP 36 1HB ASP 36 5.097 6.642 10.652 239 2HB ASP 36 2HB ASP 36 5.880 5.086 10.220 240 HD2 ASP 36 HD2 ASP 36 7.157 7.747 8.084 241 H LYS 37 H LYS 37 3.595 6.719 7.630 242 HA LYS 37 HA LYS 37 1.396 8.352 8.569 243 1HB LYS 37 1HB LYS 37 3.610 9.287 7.682 244 2HB LYS 37 2HB LYS 37 3.156 8.642 6.089 245 1HG LYS 37 1HG LYS 37 2.650 10.981 6.114 246 2HG LYS 37 2HG LYS 37 1.106 10.084 6.077 247 1HD LYS 37 1HD LYS 37 0.778 10.518 8.523 248 2HD LYS 37 2HD LYS 37 2.379 11.335 8.608 249 1HE LYS 37 1HE LYS 37 1.575 13.102 7.011 250 2HE LYS 37 2HE LYS 37 -0.027 12.274 6.903 251 1HZ LYS 37 1HZ LYS 37 1.200 13.498 9.317 252 2HZ LYS 37 2HZ LYS 37 -0.237 12.591 9.310 253 3HZ LYS 37 3HZ LYS 37 -0.144 14.043 8.435 254 H CYS 38 H CYS 38 0.091 6.219 8.312 255 HA CYS 38 HA CYS 38 -1.040 5.966 5.651 256 1HB CYS 38 1HB CYS 38 -0.697 4.009 7.201 257 2HB CYS 38 2HB CYS 38 -1.824 4.782 8.369 258 H VAL 39 H VAL 39 -2.325 7.617 4.958 259 HA VAL 39 HA VAL 39 -3.977 9.031 6.940 260 HB VAL 39 HB VAL 39 -3.065 9.621 4.104 261 1HG1 VAL 39 1HG1 VAL 39 -3.933 11.926 4.579 262 2HG1 VAL 39 2HG1 VAL 39 -4.659 11.323 6.118 263 3HG1 VAL 39 3HG1 VAL 39 -5.250 10.704 4.513 264 1HG2 VAL 39 1HG2 VAL 39 -2.236 10.771 6.845 265 2HG2 VAL 39 2HG2 VAL 39 -1.744 11.462 5.255 266 3HG2 VAL 39 3HG2 VAL 39 -1.186 9.807 5.730 267 H CYS 40 H CYS 40 -6.272 8.997 6.540 268 HA CYS 40 HA CYS 40 -7.231 7.346 4.337 269 1HB CYS 40 1HB CYS 40 -6.685 6.395 6.904 270 2HB CYS 40 2HB CYS 40 -8.353 6.918 7.101 271 H ALA 41 H ALA 41 -9.586 7.510 4.243 272 HA ALA 41 HA ALA 41 -10.952 9.591 5.716 273 1HB ALA 41 1HB ALA 41 -10.158 10.030 2.770 274 2HB ALA 41 2HB ALA 41 -9.549 10.990 4.167 275 3HB ALA 41 3HB ALA 41 -11.289 11.094 3.716 276 H TYR 42 H TYR 42 -13.034 9.718 5.346 277 HA TYR 42 HA TYR 42 -14.231 7.280 4.694 278 1HB TYR 42 1HB TYR 42 -16.179 8.327 5.938 279 2HB TYR 42 2HB TYR 42 -14.595 8.444 6.791 280 HD1 TYR 42 HD1 TYR 42 -13.534 10.644 7.202 281 HD2 TYR 42 HD2 TYR 42 -17.123 10.391 4.810 282 HE1 TYR 42 HE1 TYR 42 -13.807 13.077 7.321 283 HE2 TYR 42 HE2 TYR 42 -17.369 12.818 4.934 284 HH TYR 42 HH TYR 42 -16.520 14.770 5.686 285 H SER 43 H SER 43 -13.428 9.000 2.547 286 HA SER 43 HA SER 43 -15.438 10.159 1.022 287 1HB SER 43 1HB SER 43 -12.894 8.776 -0.002 288 2HB SER 43 2HB SER 43 -13.790 10.151 -0.793 289 HG SER 43 HG SER 43 -11.901 10.783 0.375 290 H ASN 44 H ASN 44 -15.433 9.254 -1.508 291 HA ASN 44 HA ASN 44 -16.317 6.481 -1.496 292 1HB ASN 44 1HB ASN 44 -18.181 8.050 -0.925 293 2HB ASN 44 2HB ASN 44 -17.982 8.857 -2.496 294 1HD2 ASN 44 1HD2 ASN 44 -18.214 7.246 -4.493 295 2HD2 ASN 44 2HD2 ASN 44 -19.282 5.908 -4.297 296 HA PRO 45 HA PRO 45 -15.461 4.920 -2.438 297 1HB PRO 45 1HB PRO 45 -13.232 3.717 -3.495 298 2HB PRO 45 2HB PRO 45 -14.726 3.853 -4.442 299 1HG PRO 45 1HG PRO 45 -12.318 5.764 -4.533 300 2HG PRO 45 2HG PRO 45 -13.116 4.948 -5.924 301 1HD PRO 45 1HD PRO 45 -13.783 7.530 -5.144 302 2HD PRO 45 2HD PRO 45 -15.030 6.373 -5.802 303 HA PRO 46 HA PRO 46 -13.041 6.491 0.743 304 1HB PRO 46 1HB PRO 46 -12.188 4.336 2.247 305 2HB PRO 46 2HB PRO 46 -13.939 4.755 2.068 306 1HG PRO 46 1HG PRO 46 -12.356 2.711 0.408 307 2HG PRO 46 2HG PRO 46 -13.922 2.480 1.313 308 1HD PRO 46 1HD PRO 46 -13.844 3.061 -1.389 309 2HD PRO 46 2HD PRO 46 -15.131 3.848 -0.264 310 H GLN 47 H GLN 47 -10.894 6.935 1.608 311 HA GLN 47 HA GLN 47 -8.856 6.216 -0.434 312 1HB GLN 47 1HB GLN 47 -9.081 8.776 1.248 313 2HB GLN 47 2HB GLN 47 -7.810 8.399 0.036 314 1HG GLN 47 1HG GLN 47 -9.498 8.381 -1.793 315 2HG GLN 47 2HG GLN 47 -10.821 8.667 -0.609 316 1HE2 GLN 47 1HE2 GLN 47 -7.845 10.084 -2.005 317 2HE2 GLN 47 2HE2 GLN 47 -8.309 11.741 -1.728 318 H CYS 48 H CYS 48 -7.082 5.201 0.390 319 HA CYS 48 HA CYS 48 -6.124 6.067 2.937 320 1HB CYS 48 1HB CYS 48 -7.841 3.876 2.955 321 2HB CYS 48 2HB CYS 48 -6.264 3.081 2.757 322 H GLN 49 H GLN 49 -4.030 6.310 2.701 323 HA GLN 49 HA GLN 49 -2.616 4.641 0.770 324 1HB GLN 49 1HB GLN 49 -3.475 6.770 -0.340 325 2HB GLN 49 2HB GLN 49 -2.606 7.708 0.871 326 1HG GLN 49 1HG GLN 49 -0.391 6.837 0.021 327 2HG GLN 49 2HG GLN 49 -1.255 5.715 -1.091 328 1HE2 GLN 49 1HE2 GLN 49 -1.685 9.286 -0.415 329 2HE2 GLN 49 2HE2 GLN 49 -1.509 9.734 -2.079 330 H CYS 50 H CYS 50 -0.595 4.122 1.380 331 HA CYS 50 HA CYS 50 0.468 5.307 3.847 332 1HB CYS 50 1HB CYS 50 0.764 2.788 3.347 333 2HB CYS 50 2HB CYS 50 1.772 3.250 1.948 334 H TYR 51 H TYR 51 0.785 7.367 3.382 335 HA TYR 51 HA TYR 51 1.738 8.481 0.998 336 1HB TYR 51 1HB TYR 51 1.287 9.455 3.836 337 2HB TYR 51 2HB TYR 51 2.381 10.446 2.842 338 HD1 TYR 51 HD1 TYR 51 1.526 11.725 0.872 339 HD2 TYR 51 HD2 TYR 51 -1.099 9.025 2.998 340 HE1 TYR 51 HE1 TYR 51 -0.357 12.687 -0.233 341 HE2 TYR 51 HE2 TYR 51 -3.002 10.011 1.857 342 HH TYR 51 HH TYR 51 -2.673 12.718 -0.438 343 H ASP 52 H ASP 52 3.518 7.376 3.753 344 HA ASP 52 HA ASP 52 5.931 8.705 2.689 345 1HB ASP 52 1HB ASP 52 5.249 9.038 5.136 346 2HB ASP 52 2HB ASP 52 5.668 7.296 5.402 347 HD2 ASP 52 HD2 ASP 52 8.898 8.300 5.949 348 H THR 53 H THR 53 7.876 7.711 2.280 349 HA THR 53 HA THR 53 7.689 5.069 1.243 350 HB THR 53 HB THR 53 10.147 5.439 0.713 351 HG1 THR 53 HG1 THR 53 10.815 6.912 2.111 352 1HG2 THR 53 1HG2 THR 53 8.383 5.938 -0.951 353 2HG2 THR 53 2HG2 THR 53 9.674 7.178 -1.029 354 3HG2 THR 53 3HG2 THR 53 8.109 7.565 -0.236 355 H HIS 54 H HIS 54 8.761 3.179 1.829 356 HA HIS 54 HA HIS 54 10.808 3.315 3.757 357 1HB HIS 54 1HB HIS 54 8.316 1.604 4.435 358 2HB HIS 54 2HB HIS 54 9.913 1.509 5.285 359 HD1 HIS 54 HD1 HIS 54 6.782 2.701 5.782 360 HD2 HIS 54 HD2 HIS 54 10.583 4.316 6.491 361 HE1 HIS 54 HE1 HIS 54 6.521 4.403 7.588 362 HE2 HIS 54 HE2 HIS 54 8.855 5.365 8.025 363 H LYS 55 H LYS 55 10.520 0.120 3.828 364 HA LYS 55 HA LYS 55 11.252 -0.262 1.044 365 1HB LYS 55 1HB LYS 55 12.472 -2.166 1.892 366 2HB LYS 55 2HB LYS 55 12.774 -0.776 2.966 367 1HG LYS 55 1HG LYS 55 11.050 -1.710 4.597 368 2HG LYS 55 2HG LYS 55 10.902 -3.159 3.550 369 1HD LYS 55 1HD LYS 55 13.285 -3.672 3.861 370 2HD LYS 55 2HD LYS 55 13.553 -2.115 4.725 371 1HE LYS 55 1HE LYS 55 12.010 -2.852 6.572 372 2HE LYS 55 2HE LYS 55 11.770 -4.437 5.727 373 1HZ LYS 55 1HZ LYS 55 13.482 -4.574 7.401 374 2HZ LYS 55 2HZ LYS 55 14.364 -3.314 6.686 375 3HZ LYS 55 3HZ LYS 55 14.161 -4.781 5.862 376 H PHE 56 H PHE 56 8.450 -0.707 2.873 377 HA PHE 56 HA PHE 56 8.169 -3.499 2.362 378 1HB PHE 56 1HB PHE 56 7.126 -2.013 4.411 379 2HB PHE 56 2HB PHE 56 5.698 -2.018 3.326 380 HD1 PHE 56 HD1 PHE 56 4.307 -3.995 3.421 381 HD2 PHE 56 HD2 PHE 56 8.365 -4.201 4.855 382 HE1 PHE 56 HE1 PHE 56 3.853 -6.202 4.412 383 HE2 PHE 56 HE2 PHE 56 7.914 -6.415 5.808 384 HZ PHE 56 HZ PHE 56 5.652 -7.428 5.605 385 H CYS 57 H CYS 57 6.569 -4.662 1.225 386 HA CYS 57 HA CYS 57 5.188 -3.324 -0.939 387 1HB CYS 57 1HB CYS 57 7.715 -3.568 -1.488 388 2HB CYS 57 2HB CYS 57 7.483 -5.333 -1.393 389 H TYR 58 H TYR 58 3.374 -4.510 -1.404 390 HA TYR 58 HA TYR 58 3.455 -7.403 -0.857 391 1HB TYR 58 1HB TYR 58 2.136 -5.392 0.670 392 2HB TYR 58 2HB TYR 58 0.826 -6.098 -0.336 393 HD1 TYR 58 HD1 TYR 58 3.581 -6.896 2.039 394 HD2 TYR 58 HD2 TYR 58 -0.028 -8.335 0.185 395 HE1 TYR 58 HE1 TYR 58 3.504 -8.743 3.627 396 HE2 TYR 58 HE2 TYR 58 -0.078 -10.212 1.711 397 HH TYR 58 HH TYR 58 0.995 -11.314 3.396 398 H LYS 59 H LYS 59 1.940 -8.585 -1.805 399 HA LYS 59 HA LYS 59 0.678 -8.128 -4.279 400 1HB LYS 59 1HB LYS 59 0.126 -10.085 -2.003 401 2HB LYS 59 2HB LYS 59 -0.689 -10.150 -3.593 402 1HG LYS 59 1HG LYS 59 1.489 -10.470 -4.755 403 2HG LYS 59 2HG LYS 59 2.382 -10.320 -3.217 404 1HD LYS 59 1HD LYS 59 1.115 -12.310 -2.312 405 2HD LYS 59 2HD LYS 59 0.426 -12.564 -3.963 406 1HE LYS 59 1HE LYS 59 2.705 -12.866 -4.913 407 2HE LYS 59 2HE LYS 59 3.447 -12.373 -3.337 408 1HZ LYS 59 1HZ LYS 59 3.488 -14.723 -3.601 409 2HZ LYS 59 2HZ LYS 59 1.803 -14.797 -3.821 410 3HZ LYS 59 3HZ LYS 59 2.448 -14.306 -2.323 411 H ALA 60 H ALA 60 -1.735 -8.222 -4.620 412 HA ALA 60 HA ALA 60 -3.049 -6.238 -2.938 413 1HB ALA 60 1HB ALA 60 -4.798 -6.330 -4.712 414 2HB ALA 60 2HB ALA 60 -3.891 -7.693 -5.495 415 3HB ALA 60 3HB ALA 60 -3.148 -6.060 -5.414 416 H CYS 61 H CYS 61 -4.614 -6.684 -1.527 417 HA CYS 61 HA CYS 61 -4.807 -9.433 -0.723 418 1HB CYS 61 1HB CYS 61 -5.720 -8.531 1.383 419 2HB CYS 61 2HB CYS 61 -4.258 -7.631 0.881 420 H HIS 62 H HIS 62 -6.359 -8.717 -3.123 421 HA HIS 62 HA HIS 62 -9.137 -8.624 -2.276 422 1HB HIS 62 1HB HIS 62 -8.021 -9.292 -5.055 423 2HB HIS 62 2HB HIS 62 -9.734 -9.116 -4.652 424 HD1 HIS 62 HD1 HIS 62 -9.606 -7.384 -6.562 425 HD2 HIS 62 HD2 HIS 62 -7.721 -6.206 -3.007 426 HE1 HIS 62 HE1 HIS 62 -9.334 -4.881 -6.665 427 HE2 HIS 62 HE2 HIS 62 -8.189 -4.192 -4.508 428 H ASN 63 H ASN 63 -6.916 -11.270 -3.411 429 HA ASN 63 HA ASN 63 -8.150 -13.334 -2.292 430 1HB ASN 63 1HB ASN 63 -9.089 -14.471 -4.420 431 2HB ASN 63 2HB ASN 63 -10.043 -13.135 -3.776 432 1HD2 ASN 63 1HD2 ASN 63 -7.340 -13.493 -6.338 433 2HD2 ASN 63 2HD2 ASN 63 -8.154 -12.386 -7.376 434 H SER 64 H SER 64 -7.138 -15.341 -3.648 435 HA SER 64 HA SER 64 -4.346 -14.961 -3.704 436 1HB SER 64 1HB SER 64 -5.618 -17.164 -3.338 437 2HB SER 64 2HB SER 64 -5.805 -17.244 -5.125 438 HG SER 64 HG SER 64 -3.965 -18.371 -4.382 439 H GLU 65 H GLU 65 -3.033 -15.819 -5.800 440 HA GLU 65 HA GLU 65 -2.923 -13.402 -7.161 441 1HB GLU 65 1HB GLU 65 -1.461 -15.947 -8.043 442 2HB GLU 65 2HB GLU 65 -1.117 -14.277 -8.542 443 1HG GLU 65 1HG GLU 65 0.537 -14.755 -6.917 444 2HG GLU 65 2HG GLU 65 -0.646 -13.709 -6.054 445 HE2 GLU 65 HE2 GLU 65 -0.420 -16.088 -3.579 446 H ILE 66 H ILE 66 -3.904 -16.566 -8.527 447 HA ILE 66 HA ILE 66 -5.205 -15.135 -10.698 448 HB ILE 66 HB ILE 66 -4.019 -17.061 -11.290 449 1HG1 ILE 66 1HG1 ILE 66 -7.068 -17.150 -11.749 450 2HG1 ILE 66 2HG1 ILE 66 -5.887 -16.046 -12.532 451 1HG2 ILE 66 1HG2 ILE 66 -4.639 -19.299 -10.891 452 2HG2 ILE 66 2HG2 ILE 66 -6.152 -18.889 -10.044 453 3HG2 ILE 66 3HG2 ILE 66 -4.536 -18.554 -9.273 454 1HD1 ILE 66 1HD1 ILE 66 -6.385 -17.876 -14.092 455 2HD1 ILE 66 2HD1 ILE 66 -6.032 -19.116 -12.840 456 3HD1 ILE 66 3HD1 ILE 66 -4.700 -18.096 -13.489 457 H GLU 67 H GLU 67 -6.607 -17.613 -8.406 458 HA GLU 67 HA GLU 67 -8.727 -15.740 -7.774 459 1HB GLU 67 1HB GLU 67 -9.008 -18.680 -8.644 460 2HB GLU 67 2HB GLU 67 -10.308 -17.759 -7.799 461 1HG GLU 67 1HG GLU 67 -10.555 -16.209 -9.713 462 2HG GLU 67 2HG GLU 67 -9.135 -16.934 -10.552 463 HE2 GLU 67 HE2 GLU 67 -12.639 -18.886 -10.514
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