NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
596035 | 2n4u | 25681 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 428 HT1 GLY 428 -6.451 9.615 -1.521 2 H2 GLY 428 HT2 GLY 428 -7.267 10.736 -2.494 3 H3 GLY 428 HT3 GLY 428 -8.126 9.475 -1.758 4 HA2 GLY 428 HA1 GLY 428 -6.794 11.744 -0.379 5 HA3 GLY 428 HA2 GLY 428 -8.527 11.522 -0.576 6 H ALA 429 HN ALA 429 -6.788 11.717 1.841 7 HA ALA 429 HA ALA 429 -6.758 9.096 3.016 8 HB1 ALA 429 HB1 ALA 429 -5.954 10.211 5.020 9 HB2 ALA 429 HB2 ALA 429 -6.328 11.783 4.314 10 HB3 ALA 429 HB3 ALA 429 -5.073 10.772 3.599 11 H THR 430 HN THR 430 -9.056 8.689 2.613 12 HA THR 430 HA THR 430 -10.700 9.705 4.843 13 HB THR 430 HB THR 430 -11.848 8.582 2.283 14 HG1 THR 430 HG1 THR 430 -12.105 11.190 2.207 15 HG21 THR 430 HG21 THR 430 -13.809 9.897 2.936 16 HG22 THR 430 HG22 THR 430 -12.947 10.493 4.355 17 HG23 THR 430 HG23 THR 430 -13.349 8.781 4.221 18 H ALA 431 HN ALA 431 -8.789 7.419 4.576 19 HA ALA 431 HA ALA 431 -8.557 5.251 5.170 20 HB1 ALA 431 HB1 ALA 431 -9.811 5.925 7.156 21 HB2 ALA 431 HB2 ALA 431 -10.192 4.267 6.688 22 HB3 ALA 431 HB3 ALA 431 -11.325 5.569 6.324 23 H VAL 432 HN VAL 432 -8.414 4.334 3.178 24 HA VAL 432 HA VAL 432 -10.908 3.267 2.043 25 HB VAL 432 HB VAL 432 -9.713 3.277 -0.170 26 HG11 VAL 432 HG11 VAL 432 -10.154 5.936 1.184 27 HG12 VAL 432 HG12 VAL 432 -11.373 4.964 0.362 28 HG13 VAL 432 HG13 VAL 432 -10.053 5.684 -0.559 29 HG21 VAL 432 HG21 VAL 432 -7.788 4.774 -0.431 30 HG22 VAL 432 HG22 VAL 432 -7.416 3.431 0.651 31 HG23 VAL 432 HG23 VAL 432 -7.751 5.032 1.312 32 H SER 433 HN SER 433 -11.046 1.151 1.668 33 HA SER 433 HA SER 433 -8.860 -0.540 2.567 34 HB2 SER 433 HB2 SER 433 -11.139 -0.973 3.377 35 HB3 SER 433 HB1 SER 433 -11.692 -1.214 1.721 36 HG SER 433 HG SER 433 -10.581 -3.089 1.602 37 H GLU 434 HN GLU 434 -9.531 0.883 -0.268 38 HA GLU 434 HA GLU 434 -9.324 -1.254 -2.118 39 HB2 GLU 434 HB2 GLU 434 -8.712 0.513 -3.755 40 HB3 GLU 434 HB1 GLU 434 -10.185 0.824 -2.885 41 HG2 GLU 434 HG2 GLU 434 -8.901 2.331 -1.377 42 HG3 GLU 434 HG1 GLU 434 -7.531 2.123 -2.471 43 H TRP 435 HN TRP 435 -7.056 0.475 -0.233 44 HA TRP 435 HA TRP 435 -4.802 -0.294 -1.894 45 HB2 TRP 435 HB2 TRP 435 -5.198 1.489 0.484 46 HB3 TRP 435 HB1 TRP 435 -3.586 0.877 0.125 47 HD1 TRP 435 HD1 TRP 435 -6.330 3.114 -1.410 48 HE1 TRP 435 HE1 TRP 435 -5.205 4.640 -3.162 49 HE3 TRP 435 HE3 TRP 435 -1.639 1.094 -1.341 50 HZ2 TRP 435 HZ2 TRP 435 -2.646 4.941 -4.346 51 HZ3 TRP 435 HZ3 TRP 435 0.083 2.042 -2.811 52 HH2 TRP 435 HH2 TRP 435 -0.403 3.924 -4.276 53 H THR 436 HN THR 436 -3.241 -1.790 -1.239 54 HA THR 436 HA THR 436 -4.039 -3.231 1.067 55 HB THR 436 HB THR 436 -3.553 -4.374 -1.586 56 HG1 THR 436 HG1 THR 436 -5.298 -4.608 0.538 57 HG21 THR 436 HG21 THR 436 -2.839 -6.537 -0.684 58 HG22 THR 436 HG22 THR 436 -2.713 -5.828 0.927 59 HG23 THR 436 HG23 THR 436 -1.637 -5.289 -0.363 60 H GLU 437 HN GLU 437 -2.357 -3.805 2.491 61 HA GLU 437 HA GLU 437 0.314 -3.023 1.526 62 HB2 GLU 437 HB2 GLU 437 1.025 -2.693 3.779 63 HB3 GLU 437 HB1 GLU 437 -0.487 -1.831 3.552 64 HG2 GLU 437 HG2 GLU 437 -0.379 -4.552 4.745 65 HG3 GLU 437 HG1 GLU 437 -0.128 -3.116 5.720 66 H TYR 438 HN TYR 438 1.880 -4.456 1.294 67 HA TYR 438 HA TYR 438 1.510 -7.147 2.430 68 HB2 TYR 438 HB2 TYR 438 2.612 -6.385 -0.270 69 HB3 TYR 438 HB1 TYR 438 2.889 -7.958 0.451 70 HD1 TYR 438 HD1 TYR 438 0.390 -8.822 1.494 71 HD2 TYR 438 HD2 TYR 438 1.133 -6.539 -2.018 72 HE1 TYR 438 HE1 TYR 438 -1.695 -9.673 0.509 73 HE2 TYR 438 HE2 TYR 438 -0.954 -7.377 -3.011 74 HH TYR 438 HH TYR 438 -2.467 -9.286 -2.787 75 H LYS 439 HN LYS 439 3.370 -8.200 3.130 76 HA LYS 439 HA LYS 439 5.795 -6.522 3.273 77 HB2 LYS 439 HB2 LYS 439 4.458 -7.113 5.473 78 HB3 LYS 439 HB1 LYS 439 5.231 -8.646 5.283 79 HG2 LYS 439 HG2 LYS 439 7.409 -7.567 5.352 80 HG3 LYS 439 HG1 LYS 439 6.611 -6.005 5.568 81 HD2 LYS 439 HD2 LYS 439 5.496 -7.007 7.607 82 HD3 LYS 439 HD1 LYS 439 6.602 -8.370 7.432 83 HE2 LYS 439 HE2 LYS 439 7.580 -6.911 9.011 84 HE3 LYS 439 HE1 LYS 439 8.483 -6.704 7.511 85 HZ1 LYS 439 HZ1 LYS 439 6.423 -4.891 8.637 86 HZ2 LYS 439 HZ2 LYS 439 7.036 -4.737 7.066 87 HZ3 LYS 439 HZ3 LYS 439 8.072 -4.566 8.400 88 H THR 440 HN THR 440 7.680 -7.480 2.678 89 HA THR 440 HA THR 440 7.618 -10.379 2.207 90 HB THR 440 HB THR 440 10.034 -9.891 1.373 91 HG1 THR 440 HG1 THR 440 10.548 -7.864 1.649 92 HG21 THR 440 HG21 THR 440 9.138 -9.120 -0.870 93 HG22 THR 440 HG22 THR 440 7.551 -9.039 -0.104 94 HG23 THR 440 HG23 THR 440 8.403 -10.578 -0.204 95 H ALA 441 HN ALA 441 9.262 -11.653 3.375 96 HA ALA 441 HA ALA 441 8.998 -10.797 6.072 97 HB1 ALA 441 HB1 ALA 441 10.035 -12.932 6.674 98 HB2 ALA 441 HB2 ALA 441 10.508 -13.194 4.996 99 HB3 ALA 441 HB3 ALA 441 8.800 -13.156 5.435 100 H ASP 442 HN ASP 442 11.291 -9.905 3.849 101 HA ASP 442 HA ASP 442 13.500 -9.634 5.709 102 HB2 ASP 442 HB2 ASP 442 14.705 -8.633 3.948 103 HB3 ASP 442 HB1 ASP 442 13.704 -9.836 3.144 104 H GLY 443 HN GLY 443 10.572 -8.252 5.358 105 HA2 GLY 443 HA2 GLY 443 9.719 -6.704 6.889 106 HA3 GLY 443 HA1 GLY 443 11.337 -6.075 7.110 107 H LYS 444 HN LYS 444 10.072 -6.645 3.954 108 HA LYS 444 HA LYS 444 9.945 -3.766 3.530 109 HB2 LYS 444 HB2 LYS 444 10.112 -6.107 1.676 110 HB3 LYS 444 HB1 LYS 444 9.548 -4.540 1.098 111 HG2 LYS 444 HG2 LYS 444 11.614 -3.641 2.240 112 HG3 LYS 444 HG1 LYS 444 12.209 -5.294 2.193 113 HD2 LYS 444 HD2 LYS 444 11.233 -3.760 -0.207 114 HD3 LYS 444 HD1 LYS 444 12.921 -3.869 0.277 115 HE2 LYS 444 HE2 LYS 444 11.194 -6.266 -0.304 116 HE3 LYS 444 HE1 LYS 444 12.196 -5.478 -1.520 117 HZ1 LYS 444 HZ1 LYS 444 13.207 -6.669 1.010 118 HZ2 LYS 444 HZ2 LYS 444 14.147 -5.978 -0.225 119 HZ3 LYS 444 HZ3 LYS 444 13.279 -7.402 -0.519 120 H THR 445 HN THR 445 8.113 -2.923 4.093 121 HA THR 445 HA THR 445 5.646 -4.378 3.424 122 HB THR 445 HB THR 445 5.716 -1.782 4.951 123 HG1 THR 445 HG1 THR 445 7.110 -2.924 6.177 124 HG21 THR 445 HG21 THR 445 3.731 -2.743 6.030 125 HG22 THR 445 HG22 THR 445 3.930 -4.218 5.086 126 HG23 THR 445 HG23 THR 445 3.544 -2.700 4.277 127 H TYR 446 HN TYR 446 5.768 -3.961 1.204 128 HA TYR 446 HA TYR 446 5.471 -1.188 0.328 129 HB2 TYR 446 HB2 TYR 446 5.598 -2.178 -1.971 130 HB3 TYR 446 HB1 TYR 446 7.025 -2.448 -0.987 131 HD1 TYR 446 HD1 TYR 446 7.188 -4.719 0.211 132 HD2 TYR 446 HD2 TYR 446 4.557 -3.959 -3.039 133 HE1 TYR 446 HE1 TYR 446 7.067 -7.118 -0.233 134 HE2 TYR 446 HE2 TYR 446 4.419 -6.366 -3.502 135 HH TYR 446 HH TYR 446 5.575 -8.719 -1.306 136 H TYR 447 HN TYR 447 3.703 -0.510 -0.951 137 HA TYR 447 HA TYR 447 1.266 -1.881 -0.116 138 HB2 TYR 447 HB2 TYR 447 1.670 0.947 -1.112 139 HB3 TYR 447 HB1 TYR 447 0.129 0.253 -0.607 140 HD1 TYR 447 HD1 TYR 447 0.013 -0.716 1.780 141 HD2 TYR 447 HD2 TYR 447 3.035 1.986 0.484 142 HE1 TYR 447 HE1 TYR 447 0.484 -0.145 4.118 143 HE2 TYR 447 HE2 TYR 447 3.520 2.572 2.817 144 HH TYR 447 HH TYR 447 2.291 0.777 5.462 145 H TYR 448 HN TYR 448 0.369 -3.152 -1.445 146 HA TYR 448 HA TYR 448 0.284 -2.511 -4.307 147 HB2 TYR 448 HB2 TYR 448 1.388 -4.671 -3.733 148 HB3 TYR 448 HB1 TYR 448 -0.092 -5.191 -2.940 149 HD1 TYR 448 HD1 TYR 448 1.446 -4.394 -6.200 150 HD2 TYR 448 HD2 TYR 448 -1.915 -6.079 -4.207 151 HE1 TYR 448 HE1 TYR 448 0.689 -5.376 -8.321 152 HE2 TYR 448 HE2 TYR 448 -2.686 -7.062 -6.327 153 HH TYR 448 HH TYR 448 -2.432 -6.842 -8.676 154 H ASN 449 HN ASN 449 -1.616 -1.543 -4.757 155 HA ASN 449 HA ASN 449 -3.931 -2.092 -3.084 156 HB2 ASN 449 HB2 ASN 449 -3.641 0.098 -3.228 157 HB3 ASN 449 HB1 ASN 449 -3.211 0.058 -4.928 158 HD21 ASN 449 HD21 ASN 449 -5.171 1.752 -3.558 159 HD22 ASN 449 HD22 ASN 449 -6.684 1.476 -4.340 160 H ASN 450 HN ASN 450 -6.021 -2.582 -3.909 161 HA ASN 450 HA ASN 450 -5.384 -4.794 -5.736 162 HB2 ASN 450 HB2 ASN 450 -7.039 -6.082 -4.371 163 HB3 ASN 450 HB1 ASN 450 -5.582 -5.571 -3.529 164 HD21 ASN 450 HD21 ASN 450 -5.808 -4.196 -1.630 165 HD22 ASN 450 HD22 ASN 450 -7.383 -3.653 -1.127 166 H ARG 451 HN ARG 451 -7.172 -2.031 -5.720 167 HA ARG 451 HA ARG 451 -9.229 -3.259 -7.436 168 HB2 ARG 451 HB2 ARG 451 -10.428 -1.123 -7.320 169 HB3 ARG 451 HB1 ARG 451 -10.152 -1.792 -5.715 170 HG2 ARG 451 HG2 ARG 451 -8.566 -0.182 -5.188 171 HG3 ARG 451 HG1 ARG 451 -8.279 0.225 -6.880 172 HD2 ARG 451 HD2 ARG 451 -10.854 0.759 -5.410 173 HD3 ARG 451 HD1 ARG 451 -9.568 1.946 -5.630 174 HE ARG 451 HE ARG 451 -10.799 0.684 -7.984 175 HH11 ARG 451 HH11 ARG 451 -10.190 3.544 -6.042 176 HH12 ARG 451 HH12 ARG 451 -10.762 4.641 -7.265 177 HH21 ARG 451 HH21 ARG 451 -11.544 2.121 -9.575 178 HH22 ARG 451 HH22 ARG 451 -11.521 3.833 -9.277 179 H THR 452 HN THR 452 -6.470 -1.208 -7.425 180 HA THR 452 HA THR 452 -6.771 -0.788 -10.327 181 HB THR 452 HB THR 452 -5.298 1.099 -8.493 182 HG1 THR 452 HG1 THR 452 -7.233 2.363 -8.519 183 HG21 THR 452 HG21 THR 452 -4.829 1.259 -10.898 184 HG22 THR 452 HG22 THR 452 -5.664 2.693 -10.299 185 HG23 THR 452 HG23 THR 452 -6.551 1.474 -11.216 186 H LEU 453 HN LEU 453 -5.026 -2.077 -7.800 187 HA LEU 453 HA LEU 453 -3.082 -3.045 -7.488 188 HB2 LEU 453 HB2 LEU 453 -2.187 -4.411 -9.408 189 HB3 LEU 453 HB1 LEU 453 -3.800 -4.745 -8.787 190 HG LEU 453 HG LEU 453 -4.490 -3.148 -10.814 191 HD11 LEU 453 HD11 LEU 453 -2.201 -2.654 -11.496 192 HD12 LEU 453 HD12 LEU 453 -3.075 -3.518 -12.761 193 HD13 LEU 453 HD13 LEU 453 -1.903 -4.372 -11.758 194 HD21 LEU 453 HD21 LEU 453 -5.258 -5.425 -10.485 195 HD22 LEU 453 HD22 LEU 453 -3.730 -6.046 -11.109 196 HD23 LEU 453 HD23 LEU 453 -4.819 -5.155 -12.172 197 H TYR 454 HN TYR 454 -1.839 -1.702 -6.777 198 HA TYR 454 HA TYR 454 0.046 -0.223 -8.526 199 HB2 TYR 454 HB2 TYR 454 -0.714 0.327 -5.653 200 HB3 TYR 454 HB1 TYR 454 0.264 1.352 -6.644 201 HD1 TYR 454 HD2 TYR 454 -2.955 0.170 -5.875 202 HD2 TYR 454 HD1 TYR 454 -0.840 2.932 -8.250 203 HE1 TYR 454 HE2 TYR 454 -5.014 1.321 -6.212 204 HE2 TYR 454 HE1 TYR 454 -2.935 4.183 -8.664 205 HH TYR 454 HH TYR 454 -5.675 3.795 -6.827 206 H SER 455 HN SER 455 2.193 -0.924 -8.308 207 HA SER 455 HA SER 455 2.853 -2.073 -5.686 208 HB2 SER 455 HB2 SER 455 5.048 -2.712 -6.784 209 HB3 SER 455 HB1 SER 455 3.615 -3.576 -7.349 210 HG SER 455 HG SER 455 5.194 -1.667 -8.654 211 H THR 456 HN THR 456 3.223 -0.401 -4.377 212 HA THR 456 HA THR 456 5.339 1.423 -5.250 213 HB THR 456 HB THR 456 3.287 2.688 -5.452 214 HG1 THR 456 HG1 THR 456 4.263 4.362 -4.598 215 HG21 THR 456 HG21 THR 456 2.827 2.065 -2.531 216 HG22 THR 456 HG22 THR 456 1.879 1.443 -3.881 217 HG23 THR 456 HG23 THR 456 1.866 3.168 -3.515 218 H TRP 457 HN TRP 457 6.968 1.465 -3.997 219 HA TRP 457 HA TRP 457 6.912 0.371 -1.314 220 HB2 TRP 457 HB2 TRP 457 9.172 1.831 -2.709 221 HB3 TRP 457 HB1 TRP 457 9.302 0.753 -1.324 222 HD1 TRP 457 HD1 TRP 457 8.933 0.729 -5.119 223 HE1 TRP 457 HE1 TRP 457 9.341 -1.662 -5.988 224 HE3 TRP 457 HE3 TRP 457 9.129 -1.708 -0.643 225 HZ2 TRP 457 HZ2 TRP 457 9.704 -4.250 -4.890 226 HZ3 TRP 457 HZ3 TRP 457 9.511 -4.131 -0.637 227 HH2 TRP 457 HH2 TRP 457 9.796 -5.377 -2.703 228 H GLU 458 HN GLU 458 5.890 3.178 -2.544 229 HA GLU 458 HA GLU 458 6.933 4.879 -0.397 230 HB2 GLU 458 HB2 GLU 458 6.578 5.314 -3.127 231 HB3 GLU 458 HB1 GLU 458 5.254 6.191 -2.374 232 HG2 GLU 458 HG2 GLU 458 8.146 6.502 -1.618 233 HG3 GLU 458 HG1 GLU 458 7.285 7.550 -2.745 234 H LYS 459 HN LYS 459 5.547 6.008 0.944 235 HA LYS 459 HA LYS 459 3.003 4.665 1.406 236 HB2 LYS 459 HB2 LYS 459 4.883 5.250 3.090 237 HB3 LYS 459 HB1 LYS 459 4.165 6.842 3.110 238 HG2 LYS 459 HG2 LYS 459 2.213 6.045 4.138 239 HG3 LYS 459 HG1 LYS 459 2.582 4.359 3.738 240 HD2 LYS 459 HD2 LYS 459 4.694 4.657 5.139 241 HD3 LYS 459 HD1 LYS 459 3.984 6.159 5.716 242 HE2 LYS 459 HE2 LYS 459 2.511 3.559 5.941 243 HE3 LYS 459 HE1 LYS 459 3.723 4.025 7.131 244 HZ1 LYS 459 HZ1 LYS 459 2.398 6.164 7.341 245 HZ2 LYS 459 HZ2 LYS 459 1.701 4.760 7.989 246 HZ3 LYS 459 HZ3 LYS 459 1.169 5.361 6.500 247 HA PRO 460 HA PRO 460 1.125 7.921 -0.977 248 HB2 PRO 460 HB2 PRO 460 -1.431 6.980 -0.709 249 HB3 PRO 460 HB1 PRO 460 -0.263 6.340 -1.867 250 HG2 PRO 460 HG2 PRO 460 -1.131 5.239 0.760 251 HG3 PRO 460 HG1 PRO 460 -0.691 4.390 -0.731 252 HD2 PRO 460 HD2 PRO 460 0.997 4.625 1.438 253 HD3 PRO 460 HD1 PRO 460 1.539 4.406 -0.233 254 H GLN 461 HN GLN 461 -0.728 9.485 -0.649 255 HA GLN 461 HA GLN 461 -0.350 10.767 1.852 256 HB2 GLN 461 HB2 GLN 461 -0.777 12.011 -0.210 257 HB3 GLN 461 HB1 GLN 461 -2.379 11.304 -0.328 258 HG2 GLN 461 HG2 GLN 461 -2.504 13.576 0.492 259 HG3 GLN 461 HG1 GLN 461 -3.039 12.440 1.729 260 HE21 GLN 461 HE21 GLN 461 -1.837 12.184 3.585 261 HE22 GLN 461 HE22 GLN 461 -0.561 13.275 4.029 262 H GLU 462 HN GLU 462 -2.781 8.587 0.621 263 HA GLU 462 HA GLU 462 -4.586 9.055 2.830 264 HB2 GLU 462 HB2 GLU 462 -5.671 6.891 1.805 265 HB3 GLU 462 HB1 GLU 462 -5.844 8.450 1.018 266 HG2 GLU 462 HG2 GLU 462 -3.664 6.539 0.253 267 HG3 GLU 462 HG1 GLU 462 -5.287 6.424 -0.425 268 H LEU 463 HN LEU 463 -1.760 7.407 2.491 269 HA LEU 463 HA LEU 463 -2.390 5.686 4.797 270 HB2 LEU 463 HB2 LEU 463 -0.639 5.150 2.409 271 HB3 LEU 463 HB1 LEU 463 -0.381 4.312 3.924 272 HG LEU 463 HG LEU 463 -2.982 4.244 2.416 273 HD11 LEU 463 HD11 LEU 463 -1.240 3.229 1.053 274 HD12 LEU 463 HD12 LEU 463 -2.325 1.998 1.699 275 HD13 LEU 463 HD13 LEU 463 -0.735 2.239 2.423 276 HD21 LEU 463 HD21 LEU 463 -3.437 2.318 3.848 277 HD22 LEU 463 HD22 LEU 463 -3.152 3.772 4.804 278 HD23 LEU 463 HD23 LEU 463 -1.886 2.554 4.652 279 H LYS 464 HN LYS 464 -1.221 8.494 4.317 280 HA LYS 464 HA LYS 464 1.569 8.402 4.666 281 HB2 LYS 464 HB2 LYS 464 0.068 10.329 3.833 282 HB3 LYS 464 HB1 LYS 464 -0.148 10.714 5.535 283 HG2 LYS 464 HG2 LYS 464 1.589 12.099 4.722 284 HG3 LYS 464 HG1 LYS 464 2.348 10.859 5.722 285 HD2 LYS 464 HD2 LYS 464 3.648 11.156 3.717 286 HD3 LYS 464 HD1 LYS 464 2.865 9.579 3.656 287 HE2 LYS 464 HE2 LYS 464 1.129 10.501 2.203 288 HE3 LYS 464 HE1 LYS 464 1.903 12.083 2.277 289 HZ1 LYS 464 HZ1 LYS 464 2.505 10.973 0.249 290 HZ2 LYS 464 HZ2 LYS 464 3.052 9.607 1.093 291 HZ3 LYS 464 HZ3 LYS 464 3.878 11.080 1.238 Start of MODEL 2 1 H1 GLY 428 HT1 GLY 428 -4.363 -4.145 7.171 2 H2 GLY 428 HT2 GLY 428 -4.315 -2.879 8.295 3 H3 GLY 428 HT3 GLY 428 -3.577 -2.692 6.777 4 HA2 GLY 428 HA1 GLY 428 -5.768 -2.899 5.711 5 HA3 GLY 428 HA2 GLY 428 -6.482 -2.941 7.319 6 H ALA 429 HN ALA 429 -6.765 -1.003 5.090 7 HA ALA 429 HA ALA 429 -5.457 1.402 6.021 8 HB1 ALA 429 HB1 ALA 429 -5.777 1.044 3.629 9 HB2 ALA 429 HB2 ALA 429 -6.619 2.495 4.171 10 HB3 ALA 429 HB3 ALA 429 -7.525 1.014 3.863 11 H THR 430 HN THR 430 -6.634 3.317 6.633 12 HA THR 430 HA THR 430 -8.456 2.715 8.714 13 HB THR 430 HB THR 430 -6.853 4.477 9.025 14 HG1 THR 430 HG1 THR 430 -8.323 6.188 9.651 15 HG21 THR 430 HG21 THR 430 -6.643 5.224 6.696 16 HG22 THR 430 HG22 THR 430 -6.921 6.579 7.791 17 HG23 THR 430 HG23 THR 430 -8.241 5.969 6.795 18 H ALA 431 HN ALA 431 -8.878 4.321 5.551 19 HA ALA 431 HA ALA 431 -11.776 4.273 6.073 20 HB1 ALA 431 HB1 ALA 431 -11.042 6.556 6.137 21 HB2 ALA 431 HB2 ALA 431 -11.964 6.300 4.656 22 HB3 ALA 431 HB3 ALA 431 -10.203 6.380 4.599 23 H VAL 432 HN VAL 432 -9.692 4.831 3.224 24 HA VAL 432 HA VAL 432 -11.525 3.370 1.570 25 HB VAL 432 HB VAL 432 -9.860 3.798 -0.250 26 HG11 VAL 432 HG11 VAL 432 -10.271 6.210 -0.344 27 HG12 VAL 432 HG12 VAL 432 -10.721 6.200 1.360 28 HG13 VAL 432 HG13 VAL 432 -11.706 5.333 0.183 29 HG21 VAL 432 HG21 VAL 432 -8.400 5.339 1.900 30 HG22 VAL 432 HG22 VAL 432 -8.010 5.343 0.180 31 HG23 VAL 432 HG23 VAL 432 -7.829 3.863 1.124 32 H SER 433 HN SER 433 -11.534 1.255 1.295 33 HA SER 433 HA SER 433 -9.339 -0.299 2.415 34 HB2 SER 433 HB2 SER 433 -11.692 -0.802 3.024 35 HB3 SER 433 HB1 SER 433 -12.028 -1.197 1.342 36 HG SER 433 HG SER 433 -10.455 -2.866 1.518 37 H GLU 434 HN GLU 434 -9.568 1.112 -0.391 38 HA GLU 434 HA GLU 434 -9.309 -1.044 -2.246 39 HB2 GLU 434 HB2 GLU 434 -8.611 0.666 -3.857 40 HB3 GLU 434 HB1 GLU 434 -10.076 1.112 -3.018 41 HG2 GLU 434 HG2 GLU 434 -8.909 2.687 -1.661 42 HG3 GLU 434 HG1 GLU 434 -7.361 2.131 -2.299 43 H TRP 435 HN TRP 435 -7.139 0.722 -0.228 44 HA TRP 435 HA TRP 435 -4.818 -0.091 -1.770 45 HB2 TRP 435 HB2 TRP 435 -5.315 1.807 0.482 46 HB3 TRP 435 HB1 TRP 435 -3.688 1.161 0.270 47 HD1 TRP 435 HD1 TRP 435 -6.269 3.411 -1.457 48 HE1 TRP 435 HE1 TRP 435 -5.064 4.764 -3.295 49 HE3 TRP 435 HE3 TRP 435 -1.692 1.137 -1.256 50 HZ2 TRP 435 HZ2 TRP 435 -2.486 4.846 -4.493 51 HZ3 TRP 435 HZ3 TRP 435 0.080 1.897 -2.778 52 HH2 TRP 435 HH2 TRP 435 -0.305 3.709 -4.357 53 H THR 436 HN THR 436 -3.262 -1.532 -1.039 54 HA THR 436 HA THR 436 -4.015 -2.877 1.332 55 HB THR 436 HB THR 436 -3.644 -4.159 -1.272 56 HG1 THR 436 HG1 THR 436 -5.144 -4.584 1.104 57 HG21 THR 436 HG21 THR 436 -1.687 -5.045 -0.104 58 HG22 THR 436 HG22 THR 436 -2.922 -6.290 -0.287 59 HG23 THR 436 HG23 THR 436 -2.698 -5.495 1.272 60 H GLU 437 HN GLU 437 -2.306 -3.515 2.696 61 HA GLU 437 HA GLU 437 0.350 -2.765 1.669 62 HB2 GLU 437 HB2 GLU 437 1.095 -2.380 3.924 63 HB3 GLU 437 HB1 GLU 437 -0.373 -1.458 3.638 64 HG2 GLU 437 HG2 GLU 437 -0.383 -4.120 4.971 65 HG3 GLU 437 HG1 GLU 437 -0.130 -2.630 5.866 66 H TYR 438 HN TYR 438 1.906 -4.200 1.534 67 HA TYR 438 HA TYR 438 1.516 -6.870 2.691 68 HB2 TYR 438 HB2 TYR 438 2.191 -6.190 -0.152 69 HB3 TYR 438 HB1 TYR 438 2.716 -7.708 0.548 70 HD1 TYR 438 HD1 TYR 438 0.363 -8.410 2.199 71 HD2 TYR 438 HD2 TYR 438 0.598 -6.822 -1.741 72 HE1 TYR 438 HE1 TYR 438 -1.796 -9.453 1.658 73 HE2 TYR 438 HE2 TYR 438 -1.565 -7.854 -2.291 74 HH TYR 438 HH TYR 438 -2.945 -9.784 -1.479 75 H LYS 439 HN LYS 439 3.387 -8.018 3.117 76 HA LYS 439 HA LYS 439 5.868 -6.430 3.147 77 HB2 LYS 439 HB2 LYS 439 4.542 -6.966 5.401 78 HB3 LYS 439 HB1 LYS 439 5.352 -8.484 5.230 79 HG2 LYS 439 HG2 LYS 439 7.473 -7.513 5.441 80 HG3 LYS 439 HG1 LYS 439 6.823 -5.883 5.232 81 HD2 LYS 439 HD2 LYS 439 5.582 -6.106 7.328 82 HD3 LYS 439 HD1 LYS 439 6.208 -7.741 7.530 83 HE2 LYS 439 HE2 LYS 439 8.449 -6.909 7.764 84 HE3 LYS 439 HE1 LYS 439 7.919 -5.268 7.390 85 HZ1 LYS 439 HZ1 LYS 439 6.698 -5.164 9.403 86 HZ2 LYS 439 HZ2 LYS 439 8.242 -5.741 9.801 87 HZ3 LYS 439 HZ3 LYS 439 6.929 -6.813 9.722 88 H THR 440 HN THR 440 7.622 -7.477 2.320 89 HA THR 440 HA THR 440 7.416 -10.368 1.928 90 HB THR 440 HB THR 440 9.870 -10.007 1.115 91 HG1 THR 440 HG1 THR 440 10.497 -8.010 1.333 92 HG21 THR 440 HG21 THR 440 8.289 -10.630 -0.500 93 HG22 THR 440 HG22 THR 440 8.981 -9.134 -1.130 94 HG23 THR 440 HG23 THR 440 7.403 -9.117 -0.346 95 H ALA 441 HN ALA 441 9.026 -11.744 3.049 96 HA ALA 441 HA ALA 441 8.832 -10.960 5.771 97 HB1 ALA 441 HB1 ALA 441 9.825 -13.138 6.282 98 HB2 ALA 441 HB2 ALA 441 10.258 -13.352 4.585 99 HB3 ALA 441 HB3 ALA 441 8.560 -13.283 5.060 100 H ASP 442 HN ASP 442 11.133 -10.121 3.515 101 HA ASP 442 HA ASP 442 13.369 -9.965 5.356 102 HB2 ASP 442 HB2 ASP 442 14.629 -9.087 3.576 103 HB3 ASP 442 HB1 ASP 442 13.537 -10.221 2.791 104 H GLY 443 HN GLY 443 10.529 -8.388 4.912 105 HA2 GLY 443 HA2 GLY 443 9.739 -6.814 6.452 106 HA3 GLY 443 HA1 GLY 443 11.381 -6.287 6.723 107 H LYS 444 HN LYS 444 10.396 -6.690 3.472 108 HA LYS 444 HA LYS 444 10.258 -3.833 3.062 109 HB2 LYS 444 HB2 LYS 444 9.901 -6.186 1.220 110 HB3 LYS 444 HB1 LYS 444 9.631 -4.532 0.711 111 HG2 LYS 444 HG2 LYS 444 11.953 -4.081 1.536 112 HG3 LYS 444 HG1 LYS 444 12.178 -5.828 1.562 113 HD2 LYS 444 HD2 LYS 444 11.323 -5.764 -0.854 114 HD3 LYS 444 HD1 LYS 444 11.624 -4.030 -0.781 115 HE2 LYS 444 HE2 LYS 444 13.548 -4.998 -1.746 116 HE3 LYS 444 HE1 LYS 444 13.981 -4.591 -0.084 117 HZ1 LYS 444 HZ1 LYS 444 13.695 -6.876 0.555 118 HZ2 LYS 444 HZ2 LYS 444 14.744 -6.812 -0.777 119 HZ3 LYS 444 HZ3 LYS 444 13.135 -7.289 -0.993 120 H THR 445 HN THR 445 8.436 -2.938 3.932 121 HA THR 445 HA THR 445 5.904 -4.267 3.310 122 HB THR 445 HB THR 445 6.260 -1.685 4.850 123 HG1 THR 445 HG1 THR 445 7.318 -3.891 5.568 124 HG21 THR 445 HG21 THR 445 4.113 -2.319 5.846 125 HG22 THR 445 HG22 THR 445 4.092 -3.796 4.882 126 HG23 THR 445 HG23 THR 445 3.980 -2.223 4.091 127 H TYR 446 HN TYR 446 6.026 -3.895 1.059 128 HA TYR 446 HA TYR 446 5.692 -1.146 0.148 129 HB2 TYR 446 HB2 TYR 446 5.553 -2.183 -2.123 130 HB3 TYR 446 HB1 TYR 446 7.050 -2.539 -1.272 131 HD1 TYR 446 HD1 TYR 446 7.326 -4.794 -0.212 132 HD2 TYR 446 HD2 TYR 446 4.126 -3.907 -2.867 133 HE1 TYR 446 HE1 TYR 446 6.984 -7.184 -0.582 134 HE2 TYR 446 HE2 TYR 446 3.767 -6.308 -3.248 135 HH TYR 446 HH TYR 446 5.019 -8.401 -3.094 136 H TYR 447 HN TYR 447 3.825 -0.438 -0.987 137 HA TYR 447 HA TYR 447 1.449 -1.743 0.108 138 HB2 TYR 447 HB2 TYR 447 1.770 1.101 -0.882 139 HB3 TYR 447 HB1 TYR 447 0.335 0.415 -0.112 140 HD1 TYR 447 HD1 TYR 447 0.503 -0.443 2.236 141 HD2 TYR 447 HD2 TYR 447 3.569 1.898 0.458 142 HE1 TYR 447 HE1 TYR 447 1.430 -0.001 4.462 143 HE2 TYR 447 HE2 TYR 447 4.508 2.365 2.682 144 HH TYR 447 HH TYR 447 3.506 0.656 5.484 145 H TYR 448 HN TYR 448 0.568 -3.079 -1.171 146 HA TYR 448 HA TYR 448 0.360 -2.527 -4.039 147 HB2 TYR 448 HB2 TYR 448 1.368 -4.702 -3.215 148 HB3 TYR 448 HB1 TYR 448 -0.215 -5.108 -2.570 149 HD1 TYR 448 HD2 TYR 448 -2.099 -5.583 -4.127 150 HD2 TYR 448 HD1 TYR 448 1.852 -4.885 -5.544 151 HE1 TYR 448 HE2 TYR 448 -2.705 -6.576 -6.293 152 HE2 TYR 448 HE1 TYR 448 1.258 -5.875 -7.715 153 HH TYR 448 HH TYR 448 -0.469 -7.544 -8.576 154 H ASN 449 HN ASN 449 -1.515 -1.557 -4.580 155 HA ASN 449 HA ASN 449 -3.852 -1.957 -2.894 156 HB2 ASN 449 HB2 ASN 449 -3.562 0.211 -3.134 157 HB3 ASN 449 HB1 ASN 449 -3.093 0.093 -4.823 158 HD21 ASN 449 HD21 ASN 449 -5.032 1.873 -3.598 159 HD22 ASN 449 HD22 ASN 449 -6.549 1.586 -4.380 160 H ASN 450 HN ASN 450 -5.968 -2.443 -3.743 161 HA ASN 450 HA ASN 450 -5.307 -4.796 -5.373 162 HB2 ASN 450 HB2 ASN 450 -7.018 -5.973 -3.963 163 HB3 ASN 450 HB1 ASN 450 -5.555 -5.447 -3.143 164 HD21 ASN 450 HD21 ASN 450 -5.754 -3.946 -1.343 165 HD22 ASN 450 HD22 ASN 450 -7.318 -3.356 -0.870 166 H ARG 451 HN ARG 451 -7.165 -2.042 -5.542 167 HA ARG 451 HA ARG 451 -9.135 -3.412 -7.249 168 HB2 ARG 451 HB2 ARG 451 -10.292 -1.223 -7.402 169 HB3 ARG 451 HB1 ARG 451 -10.172 -1.821 -5.753 170 HG2 ARG 451 HG2 ARG 451 -8.449 -0.277 -5.233 171 HG3 ARG 451 HG1 ARG 451 -8.270 0.187 -6.926 172 HD2 ARG 451 HD2 ARG 451 -10.834 0.568 -5.406 173 HD3 ARG 451 HD1 ARG 451 -9.555 1.780 -5.419 174 HE ARG 451 HE ARG 451 -11.180 0.935 -7.722 175 HH11 ARG 451 HH11 ARG 451 -8.834 3.104 -6.258 176 HH12 ARG 451 HH12 ARG 451 -8.947 4.287 -7.534 177 HH21 ARG 451 HH21 ARG 451 -11.357 2.526 -9.377 178 HH22 ARG 451 HH22 ARG 451 -10.415 3.983 -9.272 179 H THR 452 HN THR 452 -6.473 -1.178 -7.305 180 HA THR 452 HA THR 452 -6.654 -1.078 -10.244 181 HB THR 452 HB THR 452 -5.281 0.934 -8.457 182 HG1 THR 452 HG1 THR 452 -7.902 1.035 -9.593 183 HG21 THR 452 HG21 THR 452 -5.420 2.386 -10.404 184 HG22 THR 452 HG22 THR 452 -6.233 1.111 -11.315 185 HG23 THR 452 HG23 THR 452 -4.559 0.900 -10.804 186 H LEU 453 HN LEU 453 -4.956 -2.176 -7.596 187 HA LEU 453 HA LEU 453 -3.022 -3.117 -7.177 188 HB2 LEU 453 HB2 LEU 453 -2.026 -4.581 -8.959 189 HB3 LEU 453 HB1 LEU 453 -3.660 -4.917 -8.397 190 HG LEU 453 HG LEU 453 -3.398 -3.257 -10.861 191 HD11 LEU 453 HD11 LEU 453 -3.072 -5.260 -12.245 192 HD12 LEU 453 HD12 LEU 453 -2.790 -6.210 -10.786 193 HD13 LEU 453 HD13 LEU 453 -1.671 -4.921 -11.230 194 HD21 LEU 453 HD21 LEU 453 -5.156 -5.584 -10.069 195 HD22 LEU 453 HD22 LEU 453 -5.320 -4.616 -11.534 196 HD23 LEU 453 HD23 LEU 453 -5.585 -3.878 -9.955 197 H TYR 454 HN TYR 454 -1.727 -1.798 -6.522 198 HA TYR 454 HA TYR 454 0.166 -0.407 -8.343 199 HB2 TYR 454 HB2 TYR 454 -0.582 0.288 -5.497 200 HB3 TYR 454 HB1 TYR 454 0.404 1.251 -6.543 201 HD1 TYR 454 HD1 TYR 454 -2.876 -0.015 -5.942 202 HD2 TYR 454 HD2 TYR 454 -0.639 2.909 -7.988 203 HE1 TYR 454 HE1 TYR 454 -4.919 1.137 -6.352 204 HE2 TYR 454 HE2 TYR 454 -2.714 4.151 -8.493 205 HH TYR 454 HH TYR 454 -5.694 3.416 -6.955 206 H SER 455 HN SER 455 2.367 -0.808 -7.930 207 HA SER 455 HA SER 455 2.934 -1.976 -5.289 208 HB2 SER 455 HB2 SER 455 5.149 -2.723 -6.402 209 HB3 SER 455 HB1 SER 455 3.682 -3.659 -6.715 210 HG SER 455 HG SER 455 3.893 -1.672 -8.516 211 H THR 456 HN THR 456 3.229 -0.135 -4.178 212 HA THR 456 HA THR 456 5.409 1.586 -5.126 213 HB THR 456 HB THR 456 3.429 2.911 -5.190 214 HG1 THR 456 HG1 THR 456 4.174 3.980 -2.807 215 HG21 THR 456 HG21 THR 456 2.900 2.057 -2.342 216 HG22 THR 456 HG22 THR 456 1.972 1.577 -3.765 217 HG23 THR 456 HG23 THR 456 1.979 3.261 -3.243 218 H TRP 457 HN TRP 457 7.131 1.637 -3.967 219 HA TRP 457 HA TRP 457 7.274 0.306 -1.406 220 HB2 TRP 457 HB2 TRP 457 9.440 1.800 -2.912 221 HB3 TRP 457 HB1 TRP 457 9.673 0.665 -1.584 222 HD1 TRP 457 HD1 TRP 457 9.109 0.800 -5.332 223 HE1 TRP 457 HE1 TRP 457 9.292 -1.579 -6.308 224 HE3 TRP 457 HE3 TRP 457 9.246 -1.858 -0.968 225 HZ2 TRP 457 HZ2 TRP 457 9.461 -4.227 -5.345 226 HZ3 TRP 457 HZ3 TRP 457 9.415 -4.305 -1.086 227 HH2 TRP 457 HH2 TRP 457 9.519 -5.465 -3.231 228 H GLU 458 HN GLU 458 6.520 3.376 -2.443 229 HA GLU 458 HA GLU 458 7.395 4.641 0.064 230 HB2 GLU 458 HB2 GLU 458 7.808 5.613 -2.355 231 HB3 GLU 458 HB1 GLU 458 6.136 6.124 -2.224 232 HG2 GLU 458 HG2 GLU 458 8.234 6.858 -0.199 233 HG3 GLU 458 HG1 GLU 458 7.889 7.827 -1.627 234 H LYS 459 HN LYS 459 5.903 5.219 1.543 235 HA LYS 459 HA LYS 459 3.362 4.074 1.576 236 HB2 LYS 459 HB2 LYS 459 4.757 4.972 3.531 237 HB3 LYS 459 HB1 LYS 459 4.127 6.558 3.112 238 HG2 LYS 459 HG2 LYS 459 1.830 5.638 3.419 239 HG3 LYS 459 HG1 LYS 459 2.570 4.158 4.031 240 HD2 LYS 459 HD2 LYS 459 2.837 6.929 5.203 241 HD3 LYS 459 HD1 LYS 459 1.918 5.585 5.879 242 HE2 LYS 459 HE2 LYS 459 4.914 5.665 5.500 243 HE3 LYS 459 HE1 LYS 459 4.066 5.890 7.027 244 HZ1 LYS 459 HZ1 LYS 459 3.103 3.595 6.592 245 HZ2 LYS 459 HZ2 LYS 459 4.737 3.679 7.034 246 HZ3 LYS 459 HZ3 LYS 459 4.314 3.421 5.415 247 HA PRO 460 HA PRO 460 1.422 6.728 -1.399 248 HB2 PRO 460 HB2 PRO 460 -1.172 5.976 -0.893 249 HB3 PRO 460 HB1 PRO 460 -0.059 5.070 -1.921 250 HG2 PRO 460 HG2 PRO 460 -0.865 4.583 0.901 251 HG3 PRO 460 HG1 PRO 460 -0.528 3.419 -0.392 252 HD2 PRO 460 HD2 PRO 460 1.231 3.968 1.600 253 HD3 PRO 460 HD1 PRO 460 1.736 3.482 -0.022 254 H GLN 461 HN GLN 461 -0.043 8.553 -1.448 255 HA GLN 461 HA GLN 461 0.522 10.146 0.821 256 HB2 GLN 461 HB2 GLN 461 -1.277 10.820 -1.501 257 HB3 GLN 461 HB1 GLN 461 -0.561 11.958 -0.375 258 HG2 GLN 461 HG2 GLN 461 0.690 10.477 -2.634 259 HG3 GLN 461 HG1 GLN 461 0.810 12.178 -2.197 260 HE21 GLN 461 HE21 GLN 461 2.202 9.076 -1.941 261 HE22 GLN 461 HE22 GLN 461 3.555 9.508 -0.954 262 H GLU 462 HN GLU 462 -2.179 8.182 -0.004 263 HA GLU 462 HA GLU 462 -3.944 9.548 1.849 264 HB2 GLU 462 HB2 GLU 462 -5.455 7.510 1.362 265 HB3 GLU 462 HB1 GLU 462 -5.193 8.701 0.098 266 HG2 GLU 462 HG2 GLU 462 -3.527 6.220 0.258 267 HG3 GLU 462 HG1 GLU 462 -5.112 6.214 -0.512 268 H LEU 463 HN LEU 463 -1.557 7.137 2.050 269 HA LEU 463 HA LEU 463 -2.618 6.120 4.573 270 HB2 LEU 463 HB2 LEU 463 -0.217 5.416 2.911 271 HB3 LEU 463 HB1 LEU 463 -0.314 4.917 4.588 272 HG LEU 463 HG LEU 463 -2.327 4.175 2.457 273 HD11 LEU 463 HD11 LEU 463 -1.371 1.947 2.595 274 HD12 LEU 463 HD12 LEU 463 -0.167 2.522 3.749 275 HD13 LEU 463 HD13 LEU 463 -0.149 3.115 2.088 276 HD21 LEU 463 HD21 LEU 463 -3.106 2.566 4.135 277 HD22 LEU 463 HD22 LEU 463 -3.312 4.235 4.668 278 HD23 LEU 463 HD23 LEU 463 -1.984 3.261 5.303 279 H LYS 464 HN LYS 464 -0.804 8.692 3.433 280 HA LYS 464 HA LYS 464 0.688 9.122 5.877 281 HB2 LYS 464 HB2 LYS 464 0.260 10.851 3.432 282 HB3 LYS 464 HB1 LYS 464 1.178 11.375 4.836 283 HG2 LYS 464 HG2 LYS 464 2.612 9.286 4.446 284 HG3 LYS 464 HG1 LYS 464 1.845 9.226 2.855 285 HD2 LYS 464 HD2 LYS 464 2.621 11.489 2.381 286 HD3 LYS 464 HD1 LYS 464 3.347 11.588 3.984 287 HE2 LYS 464 HE2 LYS 464 5.108 11.097 2.494 288 HE3 LYS 464 HE1 LYS 464 4.747 9.595 3.342 289 HZ1 LYS 464 HZ1 LYS 464 3.489 8.847 1.426 290 HZ2 LYS 464 HZ2 LYS 464 5.070 9.241 0.967 291 HZ3 LYS 464 HZ3 LYS 464 3.797 10.306 0.623 Start of MODEL 3 1 H1 GLY 428 HT1 GLY 428 -2.622 0.308 8.795 2 H2 GLY 428 HT2 GLY 428 -2.515 0.116 10.476 3 H3 GLY 428 HT3 GLY 428 -1.104 0.297 9.552 4 HA2 GLY 428 HA1 GLY 428 -1.618 2.345 10.704 5 HA3 GLY 428 HA2 GLY 428 -1.738 2.542 8.961 6 H ALA 429 HN ALA 429 -3.163 4.275 9.095 7 HA ALA 429 HA ALA 429 -5.593 4.142 10.595 8 HB1 ALA 429 HB1 ALA 429 -4.509 6.272 10.040 9 HB2 ALA 429 HB2 ALA 429 -6.175 6.218 9.463 10 HB3 ALA 429 HB3 ALA 429 -4.841 5.988 8.332 11 H THR 430 HN THR 430 -7.391 3.076 10.074 12 HA THR 430 HA THR 430 -7.615 1.919 7.418 13 HB THR 430 HB THR 430 -9.474 1.586 9.782 14 HG1 THR 430 HG1 THR 430 -7.247 0.826 10.072 15 HG21 THR 430 HG21 THR 430 -10.239 -0.419 8.588 16 HG22 THR 430 HG22 THR 430 -9.164 -0.032 7.245 17 HG23 THR 430 HG23 THR 430 -10.514 1.036 7.631 18 H ALA 431 HN ALA 431 -8.025 3.713 6.161 19 HA ALA 431 HA ALA 431 -10.720 4.866 6.496 20 HB1 ALA 431 HB1 ALA 431 -8.975 6.552 6.849 21 HB2 ALA 431 HB2 ALA 431 -9.917 6.888 5.396 22 HB3 ALA 431 HB3 ALA 431 -8.306 6.188 5.259 23 H VAL 432 HN VAL 432 -8.191 4.118 4.129 24 HA VAL 432 HA VAL 432 -10.160 3.844 2.018 25 HB VAL 432 HB VAL 432 -8.212 3.316 0.570 26 HG11 VAL 432 HG11 VAL 432 -7.233 5.556 0.607 27 HG12 VAL 432 HG12 VAL 432 -7.919 5.831 2.209 28 HG13 VAL 432 HG13 VAL 432 -8.982 5.614 0.818 29 HG21 VAL 432 HG21 VAL 432 -6.597 3.808 3.074 30 HG22 VAL 432 HG22 VAL 432 -5.940 3.625 1.447 31 HG23 VAL 432 HG23 VAL 432 -6.761 2.272 2.224 32 H SER 433 HN SER 433 -10.267 1.878 0.726 33 HA SER 433 HA SER 433 -9.623 -0.543 2.277 34 HB2 SER 433 HB2 SER 433 -11.985 -0.084 2.605 35 HB3 SER 433 HB1 SER 433 -12.227 0.091 0.870 36 HG SER 433 HG SER 433 -11.221 -2.232 1.008 37 H GLU 434 HN GLU 434 -9.470 1.141 -0.624 38 HA GLU 434 HA GLU 434 -9.385 -1.124 -2.388 39 HB2 GLU 434 HB2 GLU 434 -8.339 0.642 -3.962 40 HB3 GLU 434 HB1 GLU 434 -10.014 0.769 -3.530 41 HG2 GLU 434 HG2 GLU 434 -7.957 2.269 -1.988 42 HG3 GLU 434 HG1 GLU 434 -8.570 2.884 -3.524 43 H TRP 435 HN TRP 435 -7.143 0.547 -0.411 44 HA TRP 435 HA TRP 435 -4.848 -0.295 -1.979 45 HB2 TRP 435 HB2 TRP 435 -5.281 1.529 0.364 46 HB3 TRP 435 HB1 TRP 435 -3.665 0.914 0.025 47 HD1 TRP 435 HD1 TRP 435 -6.409 3.105 -1.585 48 HE1 TRP 435 HE1 TRP 435 -5.272 4.651 -3.321 49 HE3 TRP 435 HE3 TRP 435 -1.688 1.169 -1.399 50 HZ2 TRP 435 HZ2 TRP 435 -2.690 4.981 -4.453 51 HZ3 TRP 435 HZ3 TRP 435 0.052 2.135 -2.834 52 HH2 TRP 435 HH2 TRP 435 -0.433 4.000 -4.325 53 H THR 436 HN THR 436 -3.157 -1.610 -1.095 54 HA THR 436 HA THR 436 -3.920 -2.955 1.263 55 HB THR 436 HB THR 436 -3.580 -4.298 -1.308 56 HG1 THR 436 HG1 THR 436 -5.263 -4.238 0.814 57 HG21 THR 436 HG21 THR 436 -2.580 -5.547 1.257 58 HG22 THR 436 HG22 THR 436 -1.599 -5.148 -0.154 59 HG23 THR 436 HG23 THR 436 -2.835 -6.401 -0.264 60 H GLU 437 HN GLU 437 -2.191 -3.510 2.640 61 HA GLU 437 HA GLU 437 0.455 -2.890 1.501 62 HB2 GLU 437 HB2 GLU 437 1.324 -2.494 3.674 63 HB3 GLU 437 HB1 GLU 437 -0.151 -1.551 3.515 64 HG2 GLU 437 HG2 GLU 437 -0.060 -4.215 4.845 65 HG3 GLU 437 HG1 GLU 437 0.290 -2.733 5.718 66 H TYR 438 HN TYR 438 1.851 -4.431 1.188 67 HA TYR 438 HA TYR 438 1.406 -7.029 2.473 68 HB2 TYR 438 HB2 TYR 438 2.238 -6.425 -0.346 69 HB3 TYR 438 HB1 TYR 438 2.646 -7.955 0.399 70 HD1 TYR 438 HD1 TYR 438 0.222 -8.641 1.874 71 HD2 TYR 438 HD2 TYR 438 0.654 -6.875 -1.971 72 HE1 TYR 438 HE1 TYR 438 -1.946 -9.590 1.202 73 HE2 TYR 438 HE2 TYR 438 -1.516 -7.810 -2.653 74 HH TYR 438 HH TYR 438 -3.723 -9.152 -0.453 75 H LYS 439 HN LYS 439 3.245 -8.253 2.986 76 HA LYS 439 HA LYS 439 5.704 -6.641 3.139 77 HB2 LYS 439 HB2 LYS 439 4.430 -8.334 5.240 78 HB3 LYS 439 HB1 LYS 439 6.179 -8.232 5.167 79 HG2 LYS 439 HG2 LYS 439 5.462 -6.613 6.719 80 HG3 LYS 439 HG1 LYS 439 5.989 -5.773 5.253 81 HD2 LYS 439 HD2 LYS 439 3.890 -4.856 6.209 82 HD3 LYS 439 HD1 LYS 439 3.715 -5.462 4.564 83 HE2 LYS 439 HE2 LYS 439 2.778 -7.560 5.446 84 HE3 LYS 439 HE1 LYS 439 2.926 -6.923 7.083 85 HZ1 LYS 439 HZ1 LYS 439 1.266 -5.701 4.944 86 HZ2 LYS 439 HZ2 LYS 439 1.346 -5.210 6.565 87 HZ3 LYS 439 HZ3 LYS 439 0.672 -6.717 6.164 88 H THR 440 HN THR 440 7.556 -7.524 2.742 89 HA THR 440 HA THR 440 7.703 -10.256 1.719 90 HB THR 440 HB THR 440 10.045 -9.766 1.205 91 HG1 THR 440 HG1 THR 440 11.047 -8.155 2.120 92 HG21 THR 440 HG21 THR 440 9.750 -8.085 -0.495 93 HG22 THR 440 HG22 THR 440 8.321 -7.458 0.321 94 HG23 THR 440 HG23 THR 440 8.283 -9.064 -0.406 95 H ALA 441 HN ALA 441 9.073 -11.816 2.746 96 HA ALA 441 HA ALA 441 8.913 -12.063 5.468 97 HB1 ALA 441 HB1 ALA 441 11.152 -13.141 3.764 98 HB2 ALA 441 HB2 ALA 441 9.562 -13.879 3.965 99 HB3 ALA 441 HB3 ALA 441 10.653 -13.745 5.345 100 H ASP 442 HN ASP 442 11.294 -10.125 3.737 101 HA ASP 442 HA ASP 442 12.894 -9.749 6.139 102 HB2 ASP 442 HB2 ASP 442 14.331 -8.332 4.749 103 HB3 ASP 442 HB1 ASP 442 14.055 -9.895 3.992 104 H GLY 443 HN GLY 443 10.069 -8.456 4.973 105 HA2 GLY 443 HA2 GLY 443 8.750 -7.073 6.341 106 HA3 GLY 443 HA1 GLY 443 10.220 -6.444 7.085 107 H LYS 444 HN LYS 444 9.963 -6.668 3.635 108 HA LYS 444 HA LYS 444 9.934 -3.841 3.275 109 HB2 LYS 444 HB2 LYS 444 9.402 -6.131 1.385 110 HB3 LYS 444 HB1 LYS 444 9.321 -4.450 0.891 111 HG2 LYS 444 HG2 LYS 444 11.630 -4.176 1.622 112 HG3 LYS 444 HG1 LYS 444 11.720 -5.903 1.946 113 HD2 LYS 444 HD2 LYS 444 11.001 -6.221 -0.478 114 HD3 LYS 444 HD1 LYS 444 11.344 -4.509 -0.694 115 HE2 LYS 444 HE2 LYS 444 13.324 -6.566 0.270 116 HE3 LYS 444 HE1 LYS 444 13.225 -5.952 -1.376 117 HZ1 LYS 444 HZ1 LYS 444 13.681 -3.718 -0.482 118 HZ2 LYS 444 HZ2 LYS 444 14.946 -4.809 -0.203 119 HZ3 LYS 444 HZ3 LYS 444 13.897 -4.394 1.063 120 H THR 445 HN THR 445 8.180 -2.834 4.159 121 HA THR 445 HA THR 445 5.559 -3.911 3.529 122 HB THR 445 HB THR 445 6.194 -1.295 4.925 123 HG1 THR 445 HG1 THR 445 6.572 -3.854 5.759 124 HG21 THR 445 HG21 THR 445 3.761 -3.090 5.010 125 HG22 THR 445 HG22 THR 445 3.880 -1.561 4.138 126 HG23 THR 445 HG23 THR 445 3.968 -1.579 5.898 127 H TYR 446 HN TYR 446 5.712 -3.701 1.251 128 HA TYR 446 HA TYR 446 5.526 -0.953 0.256 129 HB2 TYR 446 HB2 TYR 446 5.658 -1.944 -1.995 130 HB3 TYR 446 HB1 TYR 446 7.034 -2.377 -0.993 131 HD1 TYR 446 HD1 TYR 446 6.786 -4.719 0.256 132 HD2 TYR 446 HD2 TYR 446 4.635 -3.585 -3.236 133 HE1 TYR 446 HE1 TYR 446 6.439 -7.092 -0.290 134 HE2 TYR 446 HE2 TYR 446 4.279 -5.950 -3.793 135 HH TYR 446 HH TYR 446 5.516 -8.156 -3.278 136 H TYR 447 HN TYR 447 3.735 -0.213 -0.875 137 HA TYR 447 HA TYR 447 1.314 -1.517 0.072 138 HB2 TYR 447 HB2 TYR 447 1.743 1.274 -1.010 139 HB3 TYR 447 HB1 TYR 447 0.202 0.635 -0.436 140 HD1 TYR 447 HD1 TYR 447 0.216 -0.369 1.963 141 HD2 TYR 447 HD2 TYR 447 3.132 2.371 0.526 142 HE1 TYR 447 HE1 TYR 447 0.799 0.199 4.277 143 HE2 TYR 447 HE2 TYR 447 3.724 2.959 2.838 144 HH TYR 447 HH TYR 447 2.861 1.140 5.476 145 H TYR 448 HN TYR 448 0.796 -3.060 -1.245 146 HA TYR 448 HA TYR 448 0.492 -2.544 -4.101 147 HB2 TYR 448 HB2 TYR 448 1.583 -4.660 -3.197 148 HB3 TYR 448 HB1 TYR 448 -0.002 -5.118 -2.591 149 HD1 TYR 448 HD2 TYR 448 1.973 -4.501 -5.638 150 HD2 TYR 448 HD1 TYR 448 -1.662 -6.036 -4.047 151 HE1 TYR 448 HE2 TYR 448 1.480 -5.558 -7.801 152 HE2 TYR 448 HE1 TYR 448 -2.165 -7.103 -6.204 153 HH TYR 448 HH TYR 448 -1.589 -6.903 -8.539 154 H ASN 449 HN ASN 449 -1.410 -1.625 -4.624 155 HA ASN 449 HA ASN 449 -3.738 -2.092 -2.940 156 HB2 ASN 449 HB2 ASN 449 -3.485 0.084 -3.233 157 HB3 ASN 449 HB1 ASN 449 -3.042 -0.060 -4.924 158 HD21 ASN 449 HD21 ASN 449 -4.969 1.740 -3.797 159 HD22 ASN 449 HD22 ASN 449 -6.490 1.383 -4.510 160 H ASN 450 HN ASN 450 -5.793 -2.706 -3.717 161 HA ASN 450 HA ASN 450 -5.132 -5.001 -5.425 162 HB2 ASN 450 HB2 ASN 450 -6.734 -6.257 -3.993 163 HB3 ASN 450 HB1 ASN 450 -5.324 -5.633 -3.147 164 HD21 ASN 450 HD21 ASN 450 -5.649 -4.094 -1.392 165 HD22 ASN 450 HD22 ASN 450 -7.262 -3.615 -0.947 166 H ARG 451 HN ARG 451 -7.047 -2.273 -5.450 167 HA ARG 451 HA ARG 451 -9.171 -3.540 -7.017 168 HB2 ARG 451 HB2 ARG 451 -10.140 -1.313 -7.234 169 HB3 ARG 451 HB1 ARG 451 -9.761 -1.627 -5.543 170 HG2 ARG 451 HG2 ARG 451 -7.991 -0.147 -5.529 171 HG3 ARG 451 HG1 ARG 451 -7.794 -0.208 -7.278 172 HD2 ARG 451 HD2 ARG 451 -10.010 0.975 -7.457 173 HD3 ARG 451 HD1 ARG 451 -9.932 1.214 -5.708 174 HE ARG 451 HE ARG 451 -7.670 2.114 -7.334 175 HH11 ARG 451 HH11 ARG 451 -10.531 2.955 -5.497 176 HH12 ARG 451 HH12 ARG 451 -10.046 4.611 -5.264 177 HH21 ARG 451 HH21 ARG 451 -7.027 4.275 -7.023 178 HH22 ARG 451 HH22 ARG 451 -8.058 5.359 -6.144 179 H THR 452 HN THR 452 -6.278 -1.675 -7.398 180 HA THR 452 HA THR 452 -6.600 -1.648 -10.327 181 HB THR 452 HB THR 452 -5.333 0.515 -8.628 182 HG1 THR 452 HG1 THR 452 -7.896 0.407 -9.888 183 HG21 THR 452 HG21 THR 452 -4.463 0.374 -10.920 184 HG22 THR 452 HG22 THR 452 -5.377 1.856 -10.636 185 HG23 THR 452 HG23 THR 452 -6.109 0.527 -11.537 186 H LEU 453 HN LEU 453 -4.776 -2.489 -7.631 187 HA LEU 453 HA LEU 453 -2.813 -3.373 -7.226 188 HB2 LEU 453 HB2 LEU 453 -1.751 -4.840 -8.968 189 HB3 LEU 453 HB1 LEU 453 -3.360 -5.245 -8.384 190 HG LEU 453 HG LEU 453 -3.201 -3.673 -10.914 191 HD11 LEU 453 HD11 LEU 453 -2.777 -5.687 -12.232 192 HD12 LEU 453 HD12 LEU 453 -2.489 -6.600 -10.751 193 HD13 LEU 453 HD13 LEU 453 -1.395 -5.294 -11.208 194 HD21 LEU 453 HD21 LEU 453 -5.054 -5.149 -11.512 195 HD22 LEU 453 HD22 LEU 453 -5.343 -4.372 -9.955 196 HD23 LEU 453 HD23 LEU 453 -4.822 -6.055 -10.016 197 H TYR 454 HN TYR 454 -1.663 -1.872 -6.636 198 HA TYR 454 HA TYR 454 0.117 -0.445 -8.530 199 HB2 TYR 454 HB2 TYR 454 -0.617 0.316 -5.696 200 HB3 TYR 454 HB1 TYR 454 0.255 1.305 -6.823 201 HD1 TYR 454 HD1 TYR 454 -2.904 -0.263 -6.163 202 HD2 TYR 454 HD2 TYR 454 -0.958 2.887 -8.182 203 HE1 TYR 454 HE1 TYR 454 -5.048 0.710 -6.551 204 HE2 TYR 454 HE2 TYR 454 -3.145 3.935 -8.658 205 HH TYR 454 HH TYR 454 -5.487 3.370 -8.774 206 H SER 455 HN SER 455 2.289 -0.904 -8.293 207 HA SER 455 HA SER 455 3.138 -2.000 -5.708 208 HB2 SER 455 HB2 SER 455 5.348 -2.361 -7.018 209 HB3 SER 455 HB1 SER 455 3.989 -3.445 -7.333 210 HG SER 455 HG SER 455 5.291 -1.969 -9.078 211 H THR 456 HN THR 456 3.376 -0.246 -4.428 212 HA THR 456 HA THR 456 5.375 1.705 -5.312 213 HB THR 456 HB THR 456 3.309 2.889 -5.497 214 HG1 THR 456 HG1 THR 456 3.937 3.955 -3.038 215 HG21 THR 456 HG21 THR 456 1.903 1.450 -4.111 216 HG22 THR 456 HG22 THR 456 1.728 3.144 -3.656 217 HG23 THR 456 HG23 THR 456 2.702 2.058 -2.663 218 H TRP 457 HN TRP 457 7.030 1.798 -4.066 219 HA TRP 457 HA TRP 457 6.973 0.703 -1.372 220 HB2 TRP 457 HB2 TRP 457 9.283 2.057 -2.785 221 HB3 TRP 457 HB1 TRP 457 9.368 0.948 -1.417 222 HD1 TRP 457 HD1 TRP 457 8.884 1.008 -5.207 223 HE1 TRP 457 HE1 TRP 457 9.148 -1.382 -6.131 224 HE3 TRP 457 HE3 TRP 457 9.187 -1.540 -0.781 225 HZ2 TRP 457 HZ2 TRP 457 9.452 -3.995 -5.108 226 HZ3 TRP 457 HZ3 TRP 457 9.462 -3.975 -0.847 227 HH2 TRP 457 HH2 TRP 457 9.594 -5.178 -2.964 228 H GLU 458 HN GLU 458 6.277 3.569 -2.838 229 HA GLU 458 HA GLU 458 7.064 5.278 -0.616 230 HB2 GLU 458 HB2 GLU 458 7.314 6.157 -2.884 231 HB3 GLU 458 HB1 GLU 458 5.615 5.856 -3.212 232 HG2 GLU 458 HG2 GLU 458 6.004 8.204 -2.796 233 HG3 GLU 458 HG1 GLU 458 4.992 7.511 -1.531 234 H LYS 459 HN LYS 459 5.657 6.056 0.873 235 HA LYS 459 HA LYS 459 3.151 4.664 1.185 236 HB2 LYS 459 HB2 LYS 459 4.790 5.314 3.038 237 HB3 LYS 459 HB1 LYS 459 4.183 6.952 2.861 238 HG2 LYS 459 HG2 LYS 459 1.946 6.188 3.447 239 HG3 LYS 459 HG1 LYS 459 2.543 4.535 3.604 240 HD2 LYS 459 HD2 LYS 459 4.219 5.556 5.295 241 HD3 LYS 459 HD1 LYS 459 3.109 6.927 5.326 242 HE2 LYS 459 HE2 LYS 459 1.280 5.224 5.816 243 HE3 LYS 459 HE1 LYS 459 2.584 4.079 6.128 244 HZ1 LYS 459 HZ1 LYS 459 2.084 6.638 7.551 245 HZ2 LYS 459 HZ2 LYS 459 3.443 5.651 7.804 246 HZ3 LYS 459 HZ3 LYS 459 1.893 5.077 8.179 247 HA PRO 460 HA PRO 460 1.115 7.705 -1.290 248 HB2 PRO 460 HB2 PRO 460 -1.443 6.789 -0.906 249 HB3 PRO 460 HB1 PRO 460 -0.301 6.097 -2.060 250 HG2 PRO 460 HG2 PRO 460 -1.158 5.094 0.588 251 HG3 PRO 460 HG1 PRO 460 -0.629 4.199 -0.843 252 HD2 PRO 460 HD2 PRO 460 0.924 4.661 1.407 253 HD3 PRO 460 HD1 PRO 460 1.546 4.231 -0.193 254 H GLN 461 HN GLN 461 -0.492 9.397 -1.093 255 HA GLN 461 HA GLN 461 -0.087 10.783 1.343 256 HB2 GLN 461 HB2 GLN 461 -2.078 11.512 -0.797 257 HB3 GLN 461 HB1 GLN 461 -1.290 12.589 0.348 258 HG2 GLN 461 HG2 GLN 461 -0.011 11.143 -1.963 259 HG3 GLN 461 HG1 GLN 461 -0.296 12.874 -1.814 260 HE21 GLN 461 HE21 GLN 461 2.182 11.405 -2.267 261 HE22 GLN 461 HE22 GLN 461 3.250 11.850 -0.981 262 H GLU 462 HN GLU 462 -2.487 8.571 0.358 263 HA GLU 462 HA GLU 462 -4.411 9.502 2.339 264 HB2 GLU 462 HB2 GLU 462 -5.762 7.521 1.499 265 HB3 GLU 462 HB1 GLU 462 -5.468 8.817 0.350 266 HG2 GLU 462 HG2 GLU 462 -3.589 6.513 0.389 267 HG3 GLU 462 HG1 GLU 462 -5.192 6.283 -0.307 268 H LEU 463 HN LEU 463 -1.684 7.673 2.432 269 HA LEU 463 HA LEU 463 -2.723 6.010 4.637 270 HB2 LEU 463 HB2 LEU 463 -0.778 5.424 2.466 271 HB3 LEU 463 HB1 LEU 463 -0.471 4.712 4.037 272 HG LEU 463 HG LEU 463 -3.070 4.355 2.548 273 HD11 LEU 463 HD11 LEU 463 -2.252 2.135 1.936 274 HD12 LEU 463 HD12 LEU 463 -0.681 2.516 2.644 275 HD13 LEU 463 HD13 LEU 463 -1.251 3.402 1.228 276 HD21 LEU 463 HD21 LEU 463 -3.393 2.512 4.096 277 HD22 LEU 463 HD22 LEU 463 -3.137 4.017 4.980 278 HD23 LEU 463 HD23 LEU 463 -1.828 2.844 4.838 279 H LYS 464 HN LYS 464 -1.142 8.745 4.163 280 HA LYS 464 HA LYS 464 1.383 8.658 5.213 281 HB2 LYS 464 HB2 LYS 464 -0.709 10.802 5.566 282 HB3 LYS 464 HB1 LYS 464 0.991 11.013 5.952 283 HG2 LYS 464 HG2 LYS 464 0.150 10.153 3.221 284 HG3 LYS 464 HG1 LYS 464 0.082 11.851 3.686 285 HD2 LYS 464 HD2 LYS 464 2.173 11.447 2.578 286 HD3 LYS 464 HD1 LYS 464 2.493 11.721 4.289 287 HE2 LYS 464 HE2 LYS 464 2.635 9.283 4.620 288 HE3 LYS 464 HE1 LYS 464 2.384 9.052 2.891 289 HZ1 LYS 464 HZ1 LYS 464 4.607 10.720 3.900 290 HZ2 LYS 464 HZ2 LYS 464 4.455 9.957 2.390 291 HZ3 LYS 464 HZ3 LYS 464 4.760 9.038 3.781 Start of MODEL 4 1 H1 GLY 428 HT1 GLY 428 -21.528 8.763 9.172 2 H2 GLY 428 HT2 GLY 428 -20.091 9.417 9.791 3 H3 GLY 428 HT3 GLY 428 -20.318 7.737 9.773 4 HA2 GLY 428 HA1 GLY 428 -20.284 7.697 7.381 5 HA3 GLY 428 HA2 GLY 428 -20.137 9.449 7.357 6 H ALA 429 HN ALA 429 -18.356 7.147 6.442 7 HA ALA 429 HA ALA 429 -15.914 8.156 7.722 8 HB1 ALA 429 HB1 ALA 429 -16.481 6.026 8.790 9 HB2 ALA 429 HB2 ALA 429 -14.990 5.907 7.856 10 HB3 ALA 429 HB3 ALA 429 -16.489 5.238 7.212 11 H THR 430 HN THR 430 -14.449 8.781 6.295 12 HA THR 430 HA THR 430 -14.764 8.140 3.486 13 HB THR 430 HB THR 430 -12.513 9.703 4.762 14 HG1 THR 430 HG1 THR 430 -15.031 10.688 3.819 15 HG21 THR 430 HG21 THR 430 -12.191 9.052 2.416 16 HG22 THR 430 HG22 THR 430 -12.407 10.795 2.568 17 HG23 THR 430 HG23 THR 430 -13.739 9.788 1.996 18 H ALA 431 HN ALA 431 -14.170 6.070 3.050 19 HA ALA 431 HA ALA 431 -11.727 5.058 4.352 20 HB1 ALA 431 HB1 ALA 431 -13.785 3.925 5.039 21 HB2 ALA 431 HB2 ALA 431 -12.688 2.836 4.191 22 HB3 ALA 431 HB3 ALA 431 -14.101 3.486 3.360 23 H VAL 432 HN VAL 432 -10.057 4.882 3.072 24 HA VAL 432 HA VAL 432 -10.474 4.135 0.265 25 HB VAL 432 HB VAL 432 -8.018 4.781 0.011 26 HG11 VAL 432 HG11 VAL 432 -10.004 6.921 0.775 27 HG12 VAL 432 HG12 VAL 432 -9.852 6.163 -0.811 28 HG13 VAL 432 HG13 VAL 432 -8.544 7.165 -0.185 29 HG21 VAL 432 HG21 VAL 432 -8.543 6.102 2.677 30 HG22 VAL 432 HG22 VAL 432 -7.119 6.351 1.665 31 HG23 VAL 432 HG23 VAL 432 -7.425 4.769 2.388 32 H SER 433 HN SER 433 -10.978 2.008 1.216 33 HA SER 433 HA SER 433 -8.757 0.574 2.443 34 HB2 SER 433 HB2 SER 433 -11.118 0.525 3.358 35 HB3 SER 433 HB1 SER 433 -11.579 -0.387 1.926 36 HG SER 433 HG SER 433 -9.836 -1.888 2.607 37 H GLU 434 HN GLU 434 -9.307 1.322 -0.555 38 HA GLU 434 HA GLU 434 -9.415 -1.137 -1.965 39 HB2 GLU 434 HB2 GLU 434 -8.487 0.239 -3.872 40 HB3 GLU 434 HB1 GLU 434 -9.983 0.806 -3.179 41 HG2 GLU 434 HG2 GLU 434 -8.857 2.557 -1.994 42 HG3 GLU 434 HG1 GLU 434 -7.289 1.926 -2.498 43 H TRP 435 HN TRP 435 -6.977 0.307 -0.154 44 HA TRP 435 HA TRP 435 -4.797 -0.581 -1.851 45 HB2 TRP 435 HB2 TRP 435 -5.019 1.122 0.614 46 HB3 TRP 435 HB1 TRP 435 -3.458 0.478 0.113 47 HD1 TRP 435 HD1 TRP 435 -6.238 2.844 -1.165 48 HE1 TRP 435 HE1 TRP 435 -5.168 4.444 -2.879 49 HE3 TRP 435 HE3 TRP 435 -1.578 0.764 -1.410 50 HZ2 TRP 435 HZ2 TRP 435 -2.659 4.777 -4.163 51 HZ3 TRP 435 HZ3 TRP 435 0.093 1.768 -2.904 52 HH2 TRP 435 HH2 TRP 435 -0.434 3.727 -4.245 53 H THR 436 HN THR 436 -3.171 -2.029 -1.144 54 HA THR 436 HA THR 436 -3.968 -3.572 1.100 55 HB THR 436 HB THR 436 -3.494 -4.642 -1.592 56 HG1 THR 436 HG1 THR 436 -5.331 -4.794 0.366 57 HG21 THR 436 HG21 THR 436 -2.751 -6.826 -0.745 58 HG22 THR 436 HG22 THR 436 -2.599 -6.143 0.874 59 HG23 THR 436 HG23 THR 436 -1.555 -5.568 -0.425 60 H GLU 437 HN GLU 437 -2.255 -4.211 2.460 61 HA GLU 437 HA GLU 437 0.369 -3.245 1.534 62 HB2 GLU 437 HB2 GLU 437 1.045 -2.889 3.797 63 HB3 GLU 437 HB1 GLU 437 -0.502 -2.093 3.555 64 HG2 GLU 437 HG2 GLU 437 -0.182 -4.781 4.825 65 HG3 GLU 437 HG1 GLU 437 -0.211 -3.275 5.731 66 H TYR 438 HN TYR 438 2.021 -4.575 1.348 67 HA TYR 438 HA TYR 438 1.760 -7.304 2.423 68 HB2 TYR 438 HB2 TYR 438 2.836 -6.432 -0.243 69 HB3 TYR 438 HB1 TYR 438 3.249 -7.979 0.459 70 HD1 TYR 438 HD1 TYR 438 0.997 -9.264 1.352 71 HD2 TYR 438 HD2 TYR 438 1.233 -6.510 -1.876 72 HE1 TYR 438 HE1 TYR 438 -0.986 -10.299 0.336 73 HE2 TYR 438 HE2 TYR 438 -0.758 -7.530 -2.902 74 HH TYR 438 HH TYR 438 -1.984 -9.577 -2.881 75 H LYS 439 HN LYS 439 3.606 -8.272 3.148 76 HA LYS 439 HA LYS 439 6.018 -6.593 3.230 77 HB2 LYS 439 HB2 LYS 439 4.797 -8.246 5.385 78 HB3 LYS 439 HB1 LYS 439 6.543 -8.210 5.258 79 HG2 LYS 439 HG2 LYS 439 5.899 -6.565 6.833 80 HG3 LYS 439 HG1 LYS 439 6.482 -5.762 5.371 81 HD2 LYS 439 HD2 LYS 439 4.488 -4.658 6.222 82 HD3 LYS 439 HD1 LYS 439 4.185 -5.406 4.655 83 HE2 LYS 439 HE2 LYS 439 2.322 -5.778 6.194 84 HE3 LYS 439 HE1 LYS 439 3.102 -7.293 5.746 85 HZ1 LYS 439 HZ1 LYS 439 4.246 -7.331 7.843 86 HZ2 LYS 439 HZ2 LYS 439 2.587 -7.140 8.132 87 HZ3 LYS 439 HZ3 LYS 439 3.628 -5.810 8.265 88 H THR 440 HN THR 440 7.888 -7.473 2.756 89 HA THR 440 HA THR 440 8.006 -10.231 1.817 90 HB THR 440 HB THR 440 10.324 -9.760 1.227 91 HG1 THR 440 HG1 THR 440 11.368 -8.092 2.030 92 HG21 THR 440 HG21 THR 440 8.574 -7.459 0.365 93 HG22 THR 440 HG22 THR 440 8.552 -9.066 -0.359 94 HG23 THR 440 HG23 THR 440 9.999 -8.063 -0.472 95 H ALA 441 HN ALA 441 9.378 -11.757 2.852 96 HA ALA 441 HA ALA 441 9.301 -11.963 5.566 97 HB1 ALA 441 HB1 ALA 441 9.967 -13.790 4.086 98 HB2 ALA 441 HB2 ALA 441 11.105 -13.595 5.418 99 HB3 ALA 441 HB3 ALA 441 11.522 -13.005 3.808 100 H ASP 442 HN ASP 442 11.724 -10.157 3.709 101 HA ASP 442 HA ASP 442 13.354 -9.654 6.039 102 HB2 ASP 442 HB2 ASP 442 14.776 -8.351 4.622 103 HB3 ASP 442 HB1 ASP 442 14.312 -9.799 3.738 104 H GLY 443 HN GLY 443 10.455 -8.414 5.026 105 HA2 GLY 443 HA2 GLY 443 9.197 -7.040 6.462 106 HA3 GLY 443 HA1 GLY 443 10.698 -6.380 7.111 107 H LYS 444 HN LYS 444 10.226 -6.634 3.687 108 HA LYS 444 HA LYS 444 10.161 -3.803 3.318 109 HB2 LYS 444 HB2 LYS 444 9.588 -6.111 1.460 110 HB3 LYS 444 HB1 LYS 444 9.523 -4.432 0.960 111 HG2 LYS 444 HG2 LYS 444 11.817 -4.153 1.567 112 HG3 LYS 444 HG1 LYS 444 11.924 -5.836 2.071 113 HD2 LYS 444 HD2 LYS 444 11.103 -6.328 -0.342 114 HD3 LYS 444 HD1 LYS 444 11.646 -4.686 -0.682 115 HE2 LYS 444 HE2 LYS 444 13.280 -7.008 0.310 116 HE3 LYS 444 HE1 LYS 444 13.441 -6.144 -1.217 117 HZ1 LYS 444 HZ1 LYS 444 15.152 -5.496 0.351 118 HZ2 LYS 444 HZ2 LYS 444 13.979 -5.018 1.475 119 HZ3 LYS 444 HZ3 LYS 444 14.138 -4.178 0.011 120 H THR 445 HN THR 445 8.410 -2.719 4.081 121 HA THR 445 HA THR 445 5.792 -3.913 3.602 122 HB THR 445 HB THR 445 6.407 -1.245 4.908 123 HG1 THR 445 HG1 THR 445 7.083 -3.594 5.801 124 HG21 THR 445 HG21 THR 445 3.986 -3.050 5.054 125 HG22 THR 445 HG22 THR 445 4.087 -1.530 4.165 126 HG23 THR 445 HG23 THR 445 4.194 -1.531 5.925 127 H TYR 446 HN TYR 446 5.888 -3.765 1.315 128 HA TYR 446 HA TYR 446 5.555 -1.050 0.259 129 HB2 TYR 446 HB2 TYR 446 5.754 -2.051 -1.958 130 HB3 TYR 446 HB1 TYR 446 7.126 -2.485 -0.953 131 HD1 TYR 446 HD1 TYR 446 7.097 -4.819 0.139 132 HD2 TYR 446 HD2 TYR 446 4.504 -3.680 -3.035 133 HE1 TYR 446 HE1 TYR 446 6.721 -7.189 -0.391 134 HE2 TYR 446 HE2 TYR 446 4.116 -6.043 -3.577 135 HH TYR 446 HH TYR 446 5.113 -8.598 -1.502 136 H TYR 447 HN TYR 447 3.719 -0.492 -0.959 137 HA TYR 447 HA TYR 447 1.380 -1.989 -0.037 138 HB2 TYR 447 HB2 TYR 447 1.595 0.899 -0.919 139 HB3 TYR 447 HB1 TYR 447 0.116 0.101 -0.380 140 HD1 TYR 447 HD1 TYR 447 0.042 -0.848 1.972 141 HD2 TYR 447 HD2 TYR 447 3.089 1.818 0.667 142 HE1 TYR 447 HE1 TYR 447 0.583 -0.341 4.315 143 HE2 TYR 447 HE2 TYR 447 3.641 2.339 3.004 144 HH TYR 447 HH TYR 447 2.514 0.522 5.630 145 H TYR 448 HN TYR 448 0.584 -3.304 -1.401 146 HA TYR 448 HA TYR 448 0.380 -2.571 -4.237 147 HB2 TYR 448 HB2 TYR 448 1.569 -4.701 -3.748 148 HB3 TYR 448 HB1 TYR 448 0.131 -5.291 -2.926 149 HD1 TYR 448 HD1 TYR 448 1.648 -4.546 -6.175 150 HD2 TYR 448 HD2 TYR 448 -1.815 -6.020 -4.190 151 HE1 TYR 448 HE1 TYR 448 0.825 -5.462 -8.301 152 HE2 TYR 448 HE2 TYR 448 -2.648 -6.938 -6.313 153 HH TYR 448 HH TYR 448 -0.705 -7.219 -9.084 154 H ASN 449 HN ASN 449 -1.556 -1.717 -4.678 155 HA ASN 449 HA ASN 449 -3.834 -2.342 -2.991 156 HB2 ASN 449 HB2 ASN 449 -3.562 -0.156 -3.118 157 HB3 ASN 449 HB1 ASN 449 -3.177 -0.179 -4.835 158 HD21 ASN 449 HD21 ASN 449 -5.023 1.505 -3.444 159 HD22 ASN 449 HD22 ASN 449 -6.578 1.259 -4.159 160 H ASN 450 HN ASN 450 -5.929 -2.822 -3.840 161 HA ASN 450 HA ASN 450 -5.352 -5.008 -5.721 162 HB2 ASN 450 HB2 ASN 450 -6.932 -6.354 -4.352 163 HB3 ASN 450 HB1 ASN 450 -5.495 -5.831 -3.485 164 HD21 ASN 450 HD21 ASN 450 -5.737 -4.445 -1.622 165 HD22 ASN 450 HD22 ASN 450 -7.320 -3.997 -1.065 166 H ARG 451 HN ARG 451 -7.173 -2.255 -5.368 167 HA ARG 451 HA ARG 451 -9.389 -3.286 -6.968 168 HB2 ARG 451 HB2 ARG 451 -10.072 -1.720 -5.284 169 HB3 ARG 451 HB1 ARG 451 -8.849 -0.564 -5.775 170 HG2 ARG 451 HG2 ARG 451 -10.044 0.146 -7.582 171 HG3 ARG 451 HG1 ARG 451 -10.884 -1.390 -7.769 172 HD2 ARG 451 HD2 ARG 451 -12.477 0.216 -7.029 173 HD3 ARG 451 HD1 ARG 451 -12.143 -0.864 -5.678 174 HE ARG 451 HE ARG 451 -10.481 1.426 -5.551 175 HH11 ARG 451 HH11 ARG 451 -13.752 0.327 -4.990 176 HH12 ARG 451 HH12 ARG 451 -14.141 1.623 -3.897 177 HH21 ARG 451 HH21 ARG 451 -10.960 3.107 -4.063 178 HH22 ARG 451 HH22 ARG 451 -12.554 3.190 -3.356 179 H THR 452 HN THR 452 -6.683 -1.087 -7.146 180 HA THR 452 HA THR 452 -7.072 -0.861 -10.053 181 HB THR 452 HB THR 452 -5.338 1.167 -9.012 182 HG1 THR 452 HG1 THR 452 -6.637 2.062 -7.447 183 HG21 THR 452 HG21 THR 452 -8.183 1.300 -10.021 184 HG22 THR 452 HG22 THR 452 -6.736 1.344 -11.034 185 HG23 THR 452 HG23 THR 452 -7.060 2.656 -9.898 186 H LEU 453 HN LEU 453 -5.215 -2.165 -7.669 187 HA LEU 453 HA LEU 453 -3.206 -3.009 -7.391 188 HB2 LEU 453 HB2 LEU 453 -2.255 -4.296 -9.331 189 HB3 LEU 453 HB1 LEU 453 -3.845 -4.731 -8.723 190 HG LEU 453 HG LEU 453 -4.568 -3.097 -10.745 191 HD11 LEU 453 HD11 LEU 453 -3.147 -3.543 -12.685 192 HD12 LEU 453 HD12 LEU 453 -1.981 -4.357 -11.641 193 HD13 LEU 453 HD13 LEU 453 -2.287 -2.631 -11.445 194 HD21 LEU 453 HD21 LEU 453 -3.838 -6.014 -10.983 195 HD22 LEU 453 HD22 LEU 453 -4.915 -5.132 -12.064 196 HD23 LEU 453 HD23 LEU 453 -5.362 -5.364 -10.373 197 H TYR 454 HN TYR 454 -1.857 -1.789 -6.686 198 HA TYR 454 HA TYR 454 -0.131 -0.158 -8.479 199 HB2 TYR 454 HB2 TYR 454 -0.752 0.356 -5.571 200 HB3 TYR 454 HB1 TYR 454 0.132 1.411 -6.621 201 HD1 TYR 454 HD2 TYR 454 -3.036 -0.045 -5.915 202 HD2 TYR 454 HD1 TYR 454 -1.081 3.157 -7.828 203 HE1 TYR 454 HE2 TYR 454 -5.150 1.042 -6.069 204 HE2 TYR 454 HE1 TYR 454 -3.236 4.351 -8.038 205 HH TYR 454 HH TYR 454 -5.991 3.444 -6.297 206 H SER 455 HN SER 455 2.112 -0.335 -8.056 207 HA SER 455 HA SER 455 2.824 -1.783 -5.596 208 HB2 SER 455 HB2 SER 455 4.974 -2.393 -6.804 209 HB3 SER 455 HB1 SER 455 3.514 -3.224 -7.355 210 HG SER 455 HG SER 455 4.532 -0.864 -8.569 211 H THR 456 HN THR 456 3.338 -0.202 -4.213 212 HA THR 456 HA THR 456 5.400 1.682 -5.091 213 HB THR 456 HB THR 456 3.371 2.953 -5.249 214 HG1 THR 456 HG1 THR 456 4.160 3.940 -2.781 215 HG21 THR 456 HG21 THR 456 2.790 2.131 -2.401 216 HG22 THR 456 HG22 THR 456 1.916 1.598 -3.837 217 HG23 THR 456 HG23 THR 456 1.858 3.291 -3.349 218 H TRP 457 HN TRP 457 7.086 1.554 -3.838 219 HA TRP 457 HA TRP 457 7.042 0.398 -1.224 220 HB2 TRP 457 HB2 TRP 457 9.254 2.045 -2.468 221 HB3 TRP 457 HB1 TRP 457 9.404 0.878 -1.158 222 HD1 TRP 457 HD1 TRP 457 9.198 1.135 -4.940 223 HE1 TRP 457 HE1 TRP 457 9.689 -1.171 -5.980 224 HE3 TRP 457 HE3 TRP 457 9.197 -1.691 -0.676 225 HZ2 TRP 457 HZ2 TRP 457 10.025 -3.828 -5.102 226 HZ3 TRP 457 HZ3 TRP 457 9.615 -4.105 -0.868 227 HH2 TRP 457 HH2 TRP 457 10.022 -5.152 -3.034 228 H GLU 458 HN GLU 458 6.475 3.492 -2.488 229 HA GLU 458 HA GLU 458 6.988 4.954 -0.046 230 HB2 GLU 458 HB2 GLU 458 7.353 6.167 -2.068 231 HB3 GLU 458 HB1 GLU 458 5.804 5.673 -2.730 232 HG2 GLU 458 HG2 GLU 458 5.662 7.965 -2.119 233 HG3 GLU 458 HG1 GLU 458 4.682 7.035 -0.989 234 H LYS 459 HN LYS 459 5.482 5.635 1.393 235 HA LYS 459 HA LYS 459 3.058 4.133 1.589 236 HB2 LYS 459 HB2 LYS 459 4.568 4.983 3.474 237 HB3 LYS 459 HB1 LYS 459 3.827 6.552 3.219 238 HG2 LYS 459 HG2 LYS 459 1.854 5.923 4.177 239 HG3 LYS 459 HG1 LYS 459 2.032 4.232 3.684 240 HD2 LYS 459 HD2 LYS 459 3.710 3.858 5.365 241 HD3 LYS 459 HD1 LYS 459 3.731 5.566 5.790 242 HE2 LYS 459 HE2 LYS 459 1.224 3.945 6.027 243 HE3 LYS 459 HE1 LYS 459 2.444 3.915 7.298 244 HZ1 LYS 459 HZ1 LYS 459 2.248 6.395 7.350 245 HZ2 LYS 459 HZ2 LYS 459 0.866 5.559 7.870 246 HZ3 LYS 459 HZ3 LYS 459 0.900 6.257 6.329 247 HA PRO 460 HA PRO 460 0.609 6.470 -1.262 248 HB2 PRO 460 HB2 PRO 460 -1.502 5.724 0.712 249 HB3 PRO 460 HB1 PRO 460 -1.497 5.558 -1.047 250 HG2 PRO 460 HG2 PRO 460 -1.060 3.468 0.562 251 HG3 PRO 460 HG1 PRO 460 -0.245 3.633 -0.996 252 HD2 PRO 460 HD2 PRO 460 0.841 3.931 1.735 253 HD3 PRO 460 HD1 PRO 460 1.674 3.526 0.224 254 H GLN 461 HN GLN 461 -0.302 8.455 -1.455 255 HA GLN 461 HA GLN 461 0.103 10.422 0.506 256 HB2 GLN 461 HB2 GLN 461 -0.038 10.959 -1.868 257 HB3 GLN 461 HB1 GLN 461 -1.712 10.429 -1.915 258 HG2 GLN 461 HG2 GLN 461 -1.916 12.719 -1.841 259 HG3 GLN 461 HG1 GLN 461 -2.108 12.269 -0.151 260 HE21 GLN 461 HE21 GLN 461 0.817 11.753 0.090 261 HE22 GLN 461 HE22 GLN 461 1.537 13.323 0.201 262 H GLU 462 HN GLU 462 -2.570 8.301 -0.139 263 HA GLU 462 HA GLU 462 -4.308 9.735 1.714 264 HB2 GLU 462 HB2 GLU 462 -5.948 7.859 1.035 265 HB3 GLU 462 HB1 GLU 462 -5.553 9.095 -0.147 266 HG2 GLU 462 HG2 GLU 462 -4.171 6.428 -0.059 267 HG3 GLU 462 HG1 GLU 462 -5.649 6.708 -0.970 268 H LEU 463 HN LEU 463 -1.876 7.646 2.059 269 HA LEU 463 HA LEU 463 -3.096 6.440 4.454 270 HB2 LEU 463 HB2 LEU 463 -1.319 5.214 2.393 271 HB3 LEU 463 HB1 LEU 463 -1.125 4.709 4.059 272 HG LEU 463 HG LEU 463 -3.648 4.220 4.012 273 HD11 LEU 463 HD11 LEU 463 -4.200 5.376 1.961 274 HD12 LEU 463 HD12 LEU 463 -4.552 3.655 1.808 275 HD13 LEU 463 HD13 LEU 463 -3.108 4.330 1.054 276 HD21 LEU 463 HD21 LEU 463 -1.976 2.484 4.132 277 HD22 LEU 463 HD22 LEU 463 -1.717 2.572 2.393 278 HD23 LEU 463 HD23 LEU 463 -3.260 2.004 3.022 279 H LYS 464 HN LYS 464 -1.329 8.892 3.730 280 HA LYS 464 HA LYS 464 1.195 8.544 4.910 281 HB2 LYS 464 HB2 LYS 464 -0.515 11.008 4.591 282 HB3 LYS 464 HB1 LYS 464 1.125 11.050 5.218 283 HG2 LYS 464 HG2 LYS 464 0.325 10.054 2.492 284 HG3 LYS 464 HG1 LYS 464 1.022 11.635 2.848 285 HD2 LYS 464 HD2 LYS 464 3.027 10.498 3.757 286 HD3 LYS 464 HD1 LYS 464 2.335 8.950 3.264 287 HE2 LYS 464 HE2 LYS 464 2.323 9.681 0.942 288 HE3 LYS 464 HE1 LYS 464 2.963 11.252 1.420 289 HZ1 LYS 464 HZ1 LYS 464 4.739 9.915 0.602 290 HZ2 LYS 464 HZ2 LYS 464 4.341 8.629 1.626 291 HZ3 LYS 464 HZ3 LYS 464 4.947 10.074 2.276 Start of MODEL 5 1 H1 GLY 428 HT1 GLY 428 -2.039 5.131 8.166 2 H2 GLY 428 HT2 GLY 428 -3.039 5.908 9.289 3 H3 GLY 428 HT3 GLY 428 -1.905 6.805 8.399 4 HA2 GLY 428 HA1 GLY 428 -4.090 7.169 7.493 5 HA3 GLY 428 HA2 GLY 428 -3.091 6.288 6.344 6 H ALA 429 HN ALA 429 -5.266 5.771 5.480 7 HA ALA 429 HA ALA 429 -6.921 4.298 5.031 8 HB1 ALA 429 HB1 ALA 429 -5.149 2.618 5.223 9 HB2 ALA 429 HB2 ALA 429 -6.712 1.996 5.753 10 HB3 ALA 429 HB3 ALA 429 -5.496 2.460 6.944 11 H THR 430 HN THR 430 -8.637 5.406 5.843 12 HA THR 430 HA THR 430 -9.593 4.493 8.472 13 HB THR 430 HB THR 430 -9.969 7.266 7.314 14 HG1 THR 430 HG1 THR 430 -7.922 6.188 8.644 15 HG21 THR 430 HG21 THR 430 -10.728 6.124 10.010 16 HG22 THR 430 HG22 THR 430 -11.849 6.554 8.718 17 HG23 THR 430 HG23 THR 430 -10.906 7.809 9.518 18 H ALA 431 HN ALA 431 -10.657 6.100 5.469 19 HA ALA 431 HA ALA 431 -13.135 4.518 5.595 20 HB1 ALA 431 HB1 ALA 431 -14.087 6.148 4.060 21 HB2 ALA 431 HB2 ALA 431 -12.544 6.995 3.979 22 HB3 ALA 431 HB3 ALA 431 -13.444 6.950 5.494 23 H VAL 432 HN VAL 432 -10.325 5.287 3.650 24 HA VAL 432 HA VAL 432 -11.188 3.833 1.344 25 HB VAL 432 HB VAL 432 -8.846 4.056 0.567 26 HG11 VAL 432 HG11 VAL 432 -10.443 5.827 0.106 27 HG12 VAL 432 HG12 VAL 432 -8.841 6.506 0.395 28 HG13 VAL 432 HG13 VAL 432 -10.072 6.588 1.653 29 HG21 VAL 432 HG21 VAL 432 -7.701 3.889 2.716 30 HG22 VAL 432 HG22 VAL 432 -8.398 5.429 3.217 31 HG23 VAL 432 HG23 VAL 432 -7.250 5.374 1.879 32 H SER 433 HN SER 433 -10.785 1.774 0.751 33 HA SER 433 HA SER 433 -9.181 0.080 2.540 34 HB2 SER 433 HB2 SER 433 -11.637 -0.043 3.132 35 HB3 SER 433 HB1 SER 433 -11.927 -0.702 1.522 36 HG SER 433 HG SER 433 -10.323 -2.355 2.143 37 H GLU 434 HN GLU 434 -9.349 1.283 -0.347 38 HA GLU 434 HA GLU 434 -9.376 -0.988 -2.086 39 HB2 GLU 434 HB2 GLU 434 -8.554 0.666 -3.770 40 HB3 GLU 434 HB1 GLU 434 -10.044 1.108 -2.973 41 HG2 GLU 434 HG2 GLU 434 -8.735 2.544 -1.426 42 HG3 GLU 434 HG1 GLU 434 -7.311 2.188 -2.403 43 H TRP 435 HN TRP 435 -6.970 0.587 -0.207 44 HA TRP 435 HA TRP 435 -4.787 -0.306 -1.904 45 HB2 TRP 435 HB2 TRP 435 -5.005 1.464 0.514 46 HB3 TRP 435 HB1 TRP 435 -3.450 0.799 0.035 47 HD1 TRP 435 HD1 TRP 435 -6.185 3.185 -1.267 48 HE1 TRP 435 HE1 TRP 435 -5.104 4.744 -3.016 49 HE3 TRP 435 HE3 TRP 435 -1.568 1.020 -1.531 50 HZ2 TRP 435 HZ2 TRP 435 -2.600 5.016 -4.322 51 HZ3 TRP 435 HZ3 TRP 435 0.111 1.981 -3.044 52 HH2 TRP 435 HH2 TRP 435 -0.391 3.934 -4.409 53 H THR 436 HN THR 436 -3.257 -1.851 -1.265 54 HA THR 436 HA THR 436 -4.094 -3.309 1.024 55 HB THR 436 HB THR 436 -3.602 -4.405 -1.661 56 HG1 THR 436 HG1 THR 436 -5.196 -5.153 0.594 57 HG21 THR 436 HG21 THR 436 -2.942 -6.604 -0.806 58 HG22 THR 436 HG22 THR 436 -2.847 -5.945 0.828 59 HG23 THR 436 HG23 THR 436 -1.727 -5.386 -0.414 60 H GLU 437 HN GLU 437 -2.410 -3.968 2.420 61 HA GLU 437 HA GLU 437 0.235 -3.025 1.524 62 HB2 GLU 437 HB2 GLU 437 0.872 -2.602 3.777 63 HB3 GLU 437 HB1 GLU 437 -0.688 -1.847 3.505 64 HG2 GLU 437 HG2 GLU 437 -0.230 -4.444 4.924 65 HG3 GLU 437 HG1 GLU 437 -0.488 -2.892 5.707 66 H TYR 438 HN TYR 438 1.934 -4.327 1.422 67 HA TYR 438 HA TYR 438 1.698 -7.040 2.540 68 HB2 TYR 438 HB2 TYR 438 2.761 -6.217 -0.143 69 HB3 TYR 438 HB1 TYR 438 3.227 -7.726 0.603 70 HD1 TYR 438 HD1 TYR 438 1.242 -9.262 1.344 71 HD2 TYR 438 HD2 TYR 438 0.947 -6.201 -1.587 72 HE1 TYR 438 HE1 TYR 438 -0.695 -10.406 0.358 73 HE2 TYR 438 HE2 TYR 438 -1.001 -7.329 -2.580 74 HH TYR 438 HH TYR 438 -1.923 -9.632 -2.689 75 H LYS 439 HN LYS 439 3.556 -7.959 3.300 76 HA LYS 439 HA LYS 439 5.975 -6.295 3.269 77 HB2 LYS 439 HB2 LYS 439 4.759 -7.778 5.542 78 HB3 LYS 439 HB1 LYS 439 6.503 -7.808 5.389 79 HG2 LYS 439 HG2 LYS 439 6.019 -6.048 6.845 80 HG3 LYS 439 HG1 LYS 439 6.452 -5.314 5.297 81 HD2 LYS 439 HD2 LYS 439 4.503 -4.233 6.338 82 HD3 LYS 439 HD1 LYS 439 4.131 -4.966 4.780 83 HE2 LYS 439 HE2 LYS 439 2.371 -5.387 6.453 84 HE3 LYS 439 HE1 LYS 439 3.120 -6.878 5.882 85 HZ1 LYS 439 HZ1 LYS 439 2.831 -6.927 8.267 86 HZ2 LYS 439 HZ2 LYS 439 3.711 -5.489 8.444 87 HZ3 LYS 439 HZ3 LYS 439 4.486 -6.894 7.898 88 H THR 440 HN THR 440 7.838 -7.248 2.832 89 HA THR 440 HA THR 440 7.892 -10.067 2.092 90 HB THR 440 HB THR 440 10.231 -9.655 1.460 91 HG1 THR 440 HG1 THR 440 11.249 -7.895 2.077 92 HG21 THR 440 HG21 THR 440 8.392 -9.139 -0.148 93 HG22 THR 440 HG22 THR 440 9.862 -8.201 -0.416 94 HG23 THR 440 HG23 THR 440 8.475 -7.456 0.378 95 H ALA 441 HN ALA 441 9.259 -11.565 3.245 96 HA ALA 441 HA ALA 441 9.241 -11.497 5.981 97 HB1 ALA 441 HB1 ALA 441 10.922 -13.241 5.944 98 HB2 ALA 441 HB2 ALA 441 11.353 -12.824 4.285 99 HB3 ALA 441 HB3 ALA 441 9.757 -13.487 4.645 100 H ASP 442 HN ASP 442 11.509 -9.798 3.911 101 HA ASP 442 HA ASP 442 13.300 -9.241 6.131 102 HB2 ASP 442 HB2 ASP 442 14.705 -8.088 4.582 103 HB3 ASP 442 HB1 ASP 442 14.160 -9.566 3.799 104 H GLY 443 HN GLY 443 10.386 -8.003 5.139 105 HA2 GLY 443 HA2 GLY 443 9.210 -6.494 6.508 106 HA3 GLY 443 HA1 GLY 443 10.749 -5.826 7.051 107 H LYS 444 HN LYS 444 10.154 -6.338 3.677 108 HA LYS 444 HA LYS 444 10.109 -3.533 3.104 109 HB2 LYS 444 HB2 LYS 444 9.538 -5.970 1.422 110 HB3 LYS 444 HB1 LYS 444 9.430 -4.331 0.800 111 HG2 LYS 444 HG2 LYS 444 11.748 -3.985 1.394 112 HG3 LYS 444 HG1 LYS 444 11.869 -5.652 1.929 113 HD2 LYS 444 HD2 LYS 444 11.311 -6.418 -0.324 114 HD3 LYS 444 HD1 LYS 444 11.179 -4.745 -0.868 115 HE2 LYS 444 HE2 LYS 444 13.318 -5.635 -1.526 116 HE3 LYS 444 HE1 LYS 444 13.553 -4.402 -0.291 117 HZ1 LYS 444 HZ1 LYS 444 13.572 -7.334 0.186 118 HZ2 LYS 444 HZ2 LYS 444 13.828 -6.145 1.359 119 HZ3 LYS 444 HZ3 LYS 444 14.942 -6.346 0.100 120 H THR 445 HN THR 445 8.357 -2.455 3.928 121 HA THR 445 HA THR 445 5.735 -3.627 3.472 122 HB THR 445 HB THR 445 6.373 -0.894 4.618 123 HG1 THR 445 HG1 THR 445 6.794 -3.321 5.684 124 HG21 THR 445 HG21 THR 445 4.129 -1.066 5.595 125 HG22 THR 445 HG22 THR 445 3.906 -2.631 4.808 126 HG23 THR 445 HG23 THR 445 4.067 -1.168 3.834 127 H TYR 446 HN TYR 446 5.818 -3.632 1.190 128 HA TYR 446 HA TYR 446 5.496 -0.994 -0.049 129 HB2 TYR 446 HB2 TYR 446 5.649 -2.156 -2.203 130 HB3 TYR 446 HB1 TYR 446 7.045 -2.496 -1.194 131 HD1 TYR 446 HD1 TYR 446 6.907 -4.717 0.203 132 HD2 TYR 446 HD2 TYR 446 4.560 -3.901 -3.249 133 HE1 TYR 446 HE1 TYR 446 6.555 -7.122 -0.115 134 HE2 TYR 446 HE2 TYR 446 4.198 -6.307 -3.580 135 HH TYR 446 HH TYR 446 5.305 -8.444 -2.962 136 H TYR 447 HN TYR 447 3.646 -0.487 -1.229 137 HA TYR 447 HA TYR 447 1.311 -1.908 -0.182 138 HB2 TYR 447 HB2 TYR 447 1.550 0.934 -1.188 139 HB3 TYR 447 HB1 TYR 447 0.086 0.194 -0.533 140 HD1 TYR 447 HD1 TYR 447 0.160 -0.693 1.858 141 HD2 TYR 447 HD2 TYR 447 3.125 1.913 0.267 142 HE1 TYR 447 HE1 TYR 447 0.859 -0.116 4.140 143 HE2 TYR 447 HE2 TYR 447 3.837 2.502 2.540 144 HH TYR 447 HH TYR 447 2.819 0.780 5.307 145 H TYR 448 HN TYR 448 0.412 -3.226 -1.468 146 HA TYR 448 HA TYR 448 0.272 -2.674 -4.345 147 HB2 TYR 448 HB2 TYR 448 1.338 -4.821 -3.596 148 HB3 TYR 448 HB1 TYR 448 -0.199 -5.277 -2.873 149 HD1 TYR 448 HD1 TYR 448 1.602 -4.758 -6.032 150 HD2 TYR 448 HD2 TYR 448 -2.027 -6.059 -4.235 151 HE1 TYR 448 HE1 TYR 448 0.935 -5.807 -8.153 152 HE2 TYR 448 HE2 TYR 448 -2.706 -7.108 -6.351 153 HH TYR 448 HH TYR 448 -2.244 -7.006 -8.696 154 H ASN 449 HN ASN 449 -1.615 -1.671 -4.824 155 HA ASN 449 HA ASN 449 -3.929 -2.135 -3.115 156 HB2 ASN 449 HB2 ASN 449 -3.601 0.031 -3.258 157 HB3 ASN 449 HB1 ASN 449 -3.184 -0.004 -4.959 158 HD21 ASN 449 HD21 ASN 449 -4.997 1.795 -3.680 159 HD22 ASN 449 HD22 ASN 449 -6.555 1.572 -4.382 160 H ASN 450 HN ASN 450 -6.059 -2.537 -3.893 161 HA ASN 450 HA ASN 450 -5.567 -4.780 -5.728 162 HB2 ASN 450 HB2 ASN 450 -7.247 -6.008 -4.356 163 HB3 ASN 450 HB1 ASN 450 -5.782 -5.543 -3.499 164 HD21 ASN 450 HD21 ASN 450 -5.975 -4.193 -1.614 165 HD22 ASN 450 HD22 ASN 450 -7.529 -3.603 -1.105 166 H ARG 451 HN ARG 451 -7.202 -1.922 -5.702 167 HA ARG 451 HA ARG 451 -9.361 -3.028 -7.366 168 HB2 ARG 451 HB2 ARG 451 -10.365 -0.819 -7.354 169 HB3 ARG 451 HB1 ARG 451 -10.038 -1.327 -5.703 170 HG2 ARG 451 HG2 ARG 451 -8.118 0.119 -5.591 171 HG3 ARG 451 HG1 ARG 451 -8.281 0.531 -7.299 172 HD2 ARG 451 HD2 ARG 451 -10.315 1.136 -5.154 173 HD3 ARG 451 HD1 ARG 451 -9.143 2.286 -5.792 174 HE ARG 451 HE ARG 451 -10.532 1.350 -7.986 175 HH11 ARG 451 HH11 ARG 451 -11.302 3.017 -5.002 176 HH12 ARG 451 HH12 ARG 451 -12.690 3.836 -5.652 177 HH21 ARG 451 HH21 ARG 451 -12.338 2.454 -8.866 178 HH22 ARG 451 HH22 ARG 451 -13.281 3.511 -7.850 179 H THR 452 HN THR 452 -6.442 -1.188 -7.461 180 HA THR 452 HA THR 452 -6.693 -0.907 -10.384 181 HB THR 452 HB THR 452 -5.144 0.970 -8.604 182 HG1 THR 452 HG1 THR 452 -6.929 2.222 -8.402 183 HG21 THR 452 HG21 THR 452 -5.392 2.509 -10.474 184 HG22 THR 452 HG22 THR 452 -6.286 1.281 -11.373 185 HG23 THR 452 HG23 THR 452 -4.587 1.020 -10.972 186 H LEU 453 HN LEU 453 -5.022 -2.206 -7.798 187 HA LEU 453 HA LEU 453 -3.127 -3.261 -7.459 188 HB2 LEU 453 HB2 LEU 453 -2.207 -4.635 -9.410 189 HB3 LEU 453 HB1 LEU 453 -3.772 -5.009 -8.704 190 HG LEU 453 HG LEU 453 -3.668 -3.287 -11.158 191 HD11 LEU 453 HD11 LEU 453 -3.676 -5.293 -12.563 192 HD12 LEU 453 HD12 LEU 453 -3.391 -6.293 -11.138 193 HD13 LEU 453 HD13 LEU 453 -2.164 -5.142 -11.668 194 HD21 LEU 453 HD21 LEU 453 -5.557 -5.427 -10.164 195 HD22 LEU 453 HD22 LEU 453 -5.778 -4.454 -11.619 196 HD23 LEU 453 HD23 LEU 453 -5.803 -3.685 -10.032 197 H TYR 454 HN TYR 454 -1.913 -1.813 -6.787 198 HA TYR 454 HA TYR 454 0.013 -0.449 -8.577 199 HB2 TYR 454 HB2 TYR 454 -0.687 0.143 -5.695 200 HB3 TYR 454 HB1 TYR 454 0.306 1.133 -6.713 201 HD1 TYR 454 HD2 TYR 454 -2.966 -0.066 -6.056 202 HD2 TYR 454 HD1 TYR 454 -0.729 2.815 -8.163 203 HE1 TYR 454 HE2 TYR 454 -5.000 1.121 -6.415 204 HE2 TYR 454 HE1 TYR 454 -2.792 4.101 -8.602 205 HH TYR 454 HH TYR 454 -5.140 3.839 -8.665 206 H SER 455 HN SER 455 2.163 -1.031 -8.338 207 HA SER 455 HA SER 455 2.886 -2.203 -5.738 208 HB2 SER 455 HB2 SER 455 5.053 -2.835 -7.001 209 HB3 SER 455 HB1 SER 455 3.596 -3.792 -7.303 210 HG SER 455 HG SER 455 4.949 -2.907 -9.167 211 H THR 456 HN THR 456 3.447 -0.566 -4.460 212 HA THR 456 HA THR 456 5.564 1.203 -5.428 213 HB THR 456 HB THR 456 3.537 2.512 -5.675 214 HG1 THR 456 HG1 THR 456 4.669 4.134 -4.962 215 HG21 THR 456 HG21 THR 456 2.124 3.086 -3.751 216 HG22 THR 456 HG22 THR 456 3.040 1.959 -2.750 217 HG23 THR 456 HG23 THR 456 2.083 1.359 -4.104 218 H TRP 457 HN TRP 457 7.219 1.154 -4.121 219 HA TRP 457 HA TRP 457 7.116 0.004 -1.506 220 HB2 TRP 457 HB2 TRP 457 9.367 1.680 -2.625 221 HB3 TRP 457 HB1 TRP 457 9.468 0.448 -1.376 222 HD1 TRP 457 HD1 TRP 457 9.638 0.930 -5.100 223 HE1 TRP 457 HE1 TRP 457 10.144 -1.319 -6.243 224 HE3 TRP 457 HE3 TRP 457 8.980 -2.182 -1.096 225 HZ2 TRP 457 HZ2 TRP 457 10.242 -4.050 -5.544 226 HZ3 TRP 457 HZ3 TRP 457 9.299 -4.601 -1.421 227 HH2 TRP 457 HH2 TRP 457 9.917 -5.515 -3.600 228 H GLU 458 HN GLU 458 6.161 2.982 -2.590 229 HA GLU 458 HA GLU 458 7.062 4.414 -0.195 230 HB2 GLU 458 HB2 GLU 458 7.532 5.449 -2.389 231 HB3 GLU 458 HB1 GLU 458 5.810 5.475 -2.737 232 HG2 GLU 458 HG2 GLU 458 6.660 7.657 -2.020 233 HG3 GLU 458 HG1 GLU 458 5.424 7.025 -0.932 234 H LYS 459 HN LYS 459 5.640 5.401 1.186 235 HA LYS 459 HA LYS 459 2.987 4.238 1.290 236 HB2 LYS 459 HB2 LYS 459 4.250 4.385 3.360 237 HB3 LYS 459 HB1 LYS 459 4.453 6.120 3.154 238 HG2 LYS 459 HG2 LYS 459 1.954 6.322 3.278 239 HG3 LYS 459 HG1 LYS 459 1.920 4.625 3.752 240 HD2 LYS 459 HD2 LYS 459 3.625 6.597 5.223 241 HD3 LYS 459 HD1 LYS 459 1.908 6.442 5.586 242 HE2 LYS 459 HE2 LYS 459 2.328 3.977 5.923 243 HE3 LYS 459 HE1 LYS 459 4.053 4.345 5.839 244 HZ1 LYS 459 HZ1 LYS 459 3.226 4.290 8.131 245 HZ2 LYS 459 HZ2 LYS 459 2.146 5.553 7.773 246 HZ3 LYS 459 HZ3 LYS 459 3.816 5.825 7.712 247 HA PRO 460 HA PRO 460 1.355 7.767 -0.919 248 HB2 PRO 460 HB2 PRO 460 -1.221 6.936 -0.987 249 HB3 PRO 460 HB1 PRO 460 0.034 6.257 -2.032 250 HG2 PRO 460 HG2 PRO 460 -1.126 5.170 0.495 251 HG3 PRO 460 HG1 PRO 460 -0.705 4.322 -1.004 252 HD2 PRO 460 HD2 PRO 460 0.872 4.318 1.221 253 HD3 PRO 460 HD1 PRO 460 1.503 4.145 -0.424 254 H GLN 461 HN GLN 461 -0.599 9.241 -0.627 255 HA GLN 461 HA GLN 461 -0.125 10.506 1.867 256 HB2 GLN 461 HB2 GLN 461 -2.122 11.179 -0.295 257 HB3 GLN 461 HB1 GLN 461 -1.673 12.228 1.039 258 HG2 GLN 461 HG2 GLN 461 0.366 11.188 -0.883 259 HG3 GLN 461 HG1 GLN 461 -0.585 12.624 -1.237 260 HE21 GLN 461 HE21 GLN 461 0.415 11.841 2.019 261 HE22 GLN 461 HE22 GLN 461 1.565 13.122 2.175 262 H GLU 462 HN GLU 462 -2.648 8.376 0.770 263 HA GLU 462 HA GLU 462 -4.319 9.110 3.056 264 HB2 GLU 462 HB2 GLU 462 -5.916 7.397 2.096 265 HB3 GLU 462 HB1 GLU 462 -5.624 8.821 1.115 266 HG2 GLU 462 HG2 GLU 462 -4.116 6.273 0.660 267 HG3 GLU 462 HG1 GLU 462 -5.707 6.552 -0.048 268 H LEU 463 HN LEU 463 -1.750 7.148 2.551 269 HA LEU 463 HA LEU 463 -2.668 5.220 4.579 270 HB2 LEU 463 HB2 LEU 463 -0.623 4.996 2.400 271 HB3 LEU 463 HB1 LEU 463 -0.540 3.956 3.810 272 HG LEU 463 HG LEU 463 -2.846 4.110 1.864 273 HD11 LEU 463 HD11 LEU 463 -0.974 2.999 0.866 274 HD12 LEU 463 HD12 LEU 463 -2.142 1.779 1.363 275 HD13 LEU 463 HD13 LEU 463 -0.698 2.051 2.326 276 HD21 LEU 463 HD21 LEU 463 -3.742 2.209 3.099 277 HD22 LEU 463 HD22 LEU 463 -3.598 3.629 4.137 278 HD23 LEU 463 HD23 LEU 463 -2.415 2.326 4.255 279 H LYS 464 HN LYS 464 -1.215 8.039 4.518 280 HA LYS 464 HA LYS 464 1.295 7.847 5.665 281 HB2 LYS 464 HB2 LYS 464 -0.885 9.888 6.108 282 HB3 LYS 464 HB1 LYS 464 0.748 10.071 6.725 283 HG2 LYS 464 HG2 LYS 464 0.275 9.630 3.805 284 HG3 LYS 464 HG1 LYS 464 0.080 11.231 4.515 285 HD2 LYS 464 HD2 LYS 464 2.288 11.225 3.767 286 HD3 LYS 464 HD1 LYS 464 2.433 10.867 5.486 287 HE2 LYS 464 HE2 LYS 464 2.589 8.461 4.929 288 HE3 LYS 464 HE1 LYS 464 2.548 8.880 3.216 289 HZ1 LYS 464 HZ1 LYS 464 4.810 8.603 3.810 290 HZ2 LYS 464 HZ2 LYS 464 4.649 9.566 5.196 291 HZ3 LYS 464 HZ3 LYS 464 4.567 10.278 3.662 Start of MODEL 6 1 H1 GLY 428 HT1 GLY 428 -14.988 9.904 -4.682 2 H2 GLY 428 HT2 GLY 428 -16.388 10.836 -4.855 3 H3 GLY 428 HT3 GLY 428 -16.516 9.178 -4.535 4 HA2 GLY 428 HA1 GLY 428 -15.455 11.264 -2.710 5 HA3 GLY 428 HA2 GLY 428 -16.978 10.399 -2.536 6 H ALA 429 HN ALA 429 -14.862 10.501 -0.609 7 HA ALA 429 HA ALA 429 -14.305 7.638 -0.403 8 HB1 ALA 429 HB1 ALA 429 -11.965 8.010 0.183 9 HB2 ALA 429 HB2 ALA 429 -12.154 9.736 -0.123 10 HB3 ALA 429 HB3 ALA 429 -12.306 8.584 -1.449 11 H THR 430 HN THR 430 -15.359 7.169 1.405 12 HA THR 430 HA THR 430 -15.005 8.928 3.744 13 HB THR 430 HB THR 430 -17.102 6.775 3.429 14 HG1 THR 430 HG1 THR 430 -17.097 9.494 2.598 15 HG21 THR 430 HG21 THR 430 -16.673 7.515 5.718 16 HG22 THR 430 HG22 THR 430 -18.259 8.063 5.175 17 HG23 THR 430 HG23 THR 430 -16.907 9.193 5.231 18 H ALA 431 HN ALA 431 -14.927 5.602 2.584 19 HA ALA 431 HA ALA 431 -13.253 4.899 4.901 20 HB1 ALA 431 HB1 ALA 431 -15.311 3.124 3.586 21 HB2 ALA 431 HB2 ALA 431 -15.470 3.889 5.167 22 HB3 ALA 431 HB3 ALA 431 -14.233 2.662 4.903 23 H VAL 432 HN VAL 432 -11.279 4.388 4.259 24 HA VAL 432 HA VAL 432 -10.827 3.633 1.485 25 HB VAL 432 HB VAL 432 -8.396 3.888 2.052 26 HG11 VAL 432 HG11 VAL 432 -8.463 6.337 2.147 27 HG12 VAL 432 HG12 VAL 432 -10.165 6.270 2.601 28 HG13 VAL 432 HG13 VAL 432 -9.653 5.697 1.015 29 HG21 VAL 432 HG21 VAL 432 -8.527 3.468 4.456 30 HG22 VAL 432 HG22 VAL 432 -9.473 4.940 4.671 31 HG23 VAL 432 HG23 VAL 432 -7.799 5.040 4.128 32 H SER 433 HN SER 433 -10.410 1.654 0.846 33 HA SER 433 HA SER 433 -9.280 -0.321 2.655 34 HB2 SER 433 HB2 SER 433 -11.979 -0.760 1.346 35 HB3 SER 433 HB1 SER 433 -11.083 -1.946 2.295 36 HG SER 433 HG SER 433 -11.281 0.262 3.749 37 H GLU 434 HN GLU 434 -9.225 1.134 -0.216 38 HA GLU 434 HA GLU 434 -9.246 -1.123 -2.005 39 HB2 GLU 434 HB2 GLU 434 -8.423 0.537 -3.696 40 HB3 GLU 434 HB1 GLU 434 -9.954 0.925 -2.952 41 HG2 GLU 434 HG2 GLU 434 -7.415 2.098 -1.920 42 HG3 GLU 434 HG1 GLU 434 -8.257 2.798 -3.302 43 H TRP 435 HN TRP 435 -6.894 0.481 -0.105 44 HA TRP 435 HA TRP 435 -4.689 -0.352 -1.804 45 HB2 TRP 435 HB2 TRP 435 -4.951 1.369 0.645 46 HB3 TRP 435 HB1 TRP 435 -3.372 0.760 0.154 47 HD1 TRP 435 HD1 TRP 435 -6.193 3.074 -1.105 48 HE1 TRP 435 HE1 TRP 435 -5.162 4.687 -2.840 49 HE3 TRP 435 HE3 TRP 435 -1.531 1.031 -1.434 50 HZ2 TRP 435 HZ2 TRP 435 -2.691 5.019 -4.188 51 HZ3 TRP 435 HZ3 TRP 435 0.102 2.036 -2.962 52 HH2 TRP 435 HH2 TRP 435 -0.461 3.987 -4.311 53 H THR 436 HN THR 436 -3.158 -1.906 -1.219 54 HA THR 436 HA THR 436 -3.990 -3.431 1.028 55 HB THR 436 HB THR 436 -3.429 -4.431 -1.680 56 HG1 THR 436 HG1 THR 436 -5.057 -5.265 0.513 57 HG21 THR 436 HG21 THR 436 -2.691 -6.015 0.783 58 HG22 THR 436 HG22 THR 436 -1.567 -5.421 -0.440 59 HG23 THR 436 HG23 THR 436 -2.765 -6.645 -0.862 60 H GLU 437 HN GLU 437 -2.318 -3.842 2.520 61 HA GLU 437 HA GLU 437 0.334 -3.033 1.537 62 HB2 GLU 437 HB2 GLU 437 1.061 -2.590 3.736 63 HB3 GLU 437 HB1 GLU 437 -0.514 -1.830 3.559 64 HG2 GLU 437 HG2 GLU 437 0.083 -4.395 4.990 65 HG3 GLU 437 HG1 GLU 437 -0.214 -2.840 5.746 66 H TYR 438 HN TYR 438 1.953 -4.382 1.318 67 HA TYR 438 HA TYR 438 1.677 -7.065 2.480 68 HB2 TYR 438 HB2 TYR 438 2.731 -6.298 -0.234 69 HB3 TYR 438 HB1 TYR 438 3.097 -7.842 0.509 70 HD1 TYR 438 HD1 TYR 438 0.645 -8.803 1.594 71 HD2 TYR 438 HD2 TYR 438 1.265 -6.579 -1.977 72 HE1 TYR 438 HE1 TYR 438 -1.393 -9.789 0.635 73 HE2 TYR 438 HE2 TYR 438 -0.774 -7.551 -2.948 74 HH TYR 438 HH TYR 438 -2.204 -9.491 -2.689 75 H LYS 439 HN LYS 439 3.529 -8.064 3.184 76 HA LYS 439 HA LYS 439 5.993 -6.468 3.132 77 HB2 LYS 439 HB2 LYS 439 4.702 -7.799 5.457 78 HB3 LYS 439 HB1 LYS 439 6.446 -7.918 5.323 79 HG2 LYS 439 HG2 LYS 439 6.058 -6.065 6.680 80 HG3 LYS 439 HG1 LYS 439 6.493 -5.424 5.094 81 HD2 LYS 439 HD2 LYS 439 4.678 -4.120 5.702 82 HD3 LYS 439 HD1 LYS 439 3.969 -5.359 4.676 83 HE2 LYS 439 HE2 LYS 439 4.022 -5.475 7.686 84 HE3 LYS 439 HE1 LYS 439 2.665 -4.861 6.748 85 HZ1 LYS 439 HZ1 LYS 439 2.448 -7.210 7.491 86 HZ2 LYS 439 HZ2 LYS 439 3.730 -7.621 6.468 87 HZ3 LYS 439 HZ3 LYS 439 2.295 -7.001 5.816 88 H THR 440 HN THR 440 7.827 -7.507 2.724 89 HA THR 440 HA THR 440 7.756 -10.349 2.077 90 HB THR 440 HB THR 440 10.145 -10.056 1.472 91 HG1 THR 440 HG1 THR 440 11.186 -8.329 2.074 92 HG21 THR 440 HG21 THR 440 8.480 -7.906 0.178 93 HG22 THR 440 HG22 THR 440 8.310 -9.621 -0.186 94 HG23 THR 440 HG23 THR 440 9.827 -8.792 -0.531 95 H ALA 441 HN ALA 441 9.092 -11.844 3.237 96 HA ALA 441 HA ALA 441 8.961 -11.760 5.969 97 HB1 ALA 441 HB1 ALA 441 9.473 -13.759 4.651 98 HB2 ALA 441 HB2 ALA 441 10.568 -13.560 6.020 99 HB3 ALA 441 HB3 ALA 441 11.110 -13.156 4.391 100 H ASP 442 HN ASP 442 11.386 -10.130 4.023 101 HA ASP 442 HA ASP 442 13.106 -9.641 6.309 102 HB2 ASP 442 HB2 ASP 442 14.502 -8.350 4.753 103 HB3 ASP 442 HB1 ASP 442 14.156 -9.961 4.134 104 H GLY 443 HN GLY 443 10.274 -8.326 5.188 105 HA2 GLY 443 HA2 GLY 443 9.042 -6.809 6.493 106 HA3 GLY 443 HA1 GLY 443 10.556 -6.175 7.142 107 H LYS 444 HN LYS 444 10.160 -6.628 3.722 108 HA LYS 444 HA LYS 444 10.240 -3.827 3.186 109 HB2 LYS 444 HB2 LYS 444 9.697 -6.239 1.471 110 HB3 LYS 444 HB1 LYS 444 9.571 -4.603 0.842 111 HG2 LYS 444 HG2 LYS 444 11.868 -4.229 1.626 112 HG3 LYS 444 HG1 LYS 444 11.995 -5.943 1.978 113 HD2 LYS 444 HD2 LYS 444 11.395 -6.375 -0.424 114 HD3 LYS 444 HD1 LYS 444 11.548 -4.641 -0.707 115 HE2 LYS 444 HE2 LYS 444 13.610 -5.617 -1.344 116 HE3 LYS 444 HE1 LYS 444 13.884 -4.805 0.196 117 HZ1 LYS 444 HZ1 LYS 444 13.477 -7.715 -0.224 118 HZ2 LYS 444 HZ2 LYS 444 13.601 -6.976 1.301 119 HZ3 LYS 444 HZ3 LYS 444 14.920 -6.951 0.233 120 H THR 445 HN THR 445 8.558 -2.599 3.825 121 HA THR 445 HA THR 445 5.881 -3.685 3.446 122 HB THR 445 HB THR 445 6.607 -0.954 4.537 123 HG1 THR 445 HG1 THR 445 7.339 -3.140 5.629 124 HG21 THR 445 HG21 THR 445 4.146 -2.680 4.843 125 HG22 THR 445 HG22 THR 445 4.278 -1.232 3.844 126 HG23 THR 445 HG23 THR 445 4.403 -1.105 5.598 127 H TYR 446 HN TYR 446 5.955 -3.712 1.165 128 HA TYR 446 HA TYR 446 5.655 -1.070 -0.072 129 HB2 TYR 446 HB2 TYR 446 5.773 -2.241 -2.225 130 HB3 TYR 446 HB1 TYR 446 7.180 -2.564 -1.227 131 HD1 TYR 446 HD1 TYR 446 6.962 -4.791 0.251 132 HD2 TYR 446 HD2 TYR 446 4.801 -3.992 -3.325 133 HE1 TYR 446 HE1 TYR 446 6.638 -7.205 -0.075 134 HE2 TYR 446 HE2 TYR 446 4.464 -6.398 -3.668 135 HH TYR 446 HH TYR 446 5.010 -8.705 -1.288 136 H TYR 447 HN TYR 447 3.819 -0.492 -1.185 137 HA TYR 447 HA TYR 447 1.445 -1.904 -0.216 138 HB2 TYR 447 HB2 TYR 447 1.690 0.904 -1.304 139 HB3 TYR 447 HB1 TYR 447 0.231 0.177 -0.640 140 HD1 TYR 447 HD1 TYR 447 0.529 -0.821 1.794 141 HD2 TYR 447 HD2 TYR 447 2.974 2.215 0.096 142 HE1 TYR 447 HE1 TYR 447 1.169 -0.097 4.053 143 HE2 TYR 447 HE2 TYR 447 3.626 2.957 2.345 144 HH TYR 447 HH TYR 447 2.996 1.148 5.156 145 H TYR 448 HN TYR 448 0.466 -3.174 -1.498 146 HA TYR 448 HA TYR 448 0.359 -2.609 -4.382 147 HB2 TYR 448 HB2 TYR 448 1.464 -4.765 -3.692 148 HB3 TYR 448 HB1 TYR 448 -0.061 -5.260 -2.973 149 HD1 TYR 448 HD1 TYR 448 -1.998 -5.792 -4.422 150 HD2 TYR 448 HD2 TYR 448 1.815 -4.853 -6.056 151 HE1 TYR 448 HE1 TYR 448 -2.685 -6.771 -6.574 152 HE2 TYR 448 HE2 TYR 448 1.140 -5.822 -8.211 153 HH TYR 448 HH TYR 448 -0.505 -7.508 -9.031 154 H ASN 449 HN ASN 449 -1.550 -1.619 -4.796 155 HA ASN 449 HA ASN 449 -3.828 -2.163 -3.070 156 HB2 ASN 449 HB2 ASN 449 -3.490 0.011 -3.170 157 HB3 ASN 449 HB1 ASN 449 -3.139 0.017 -4.888 158 HD21 ASN 449 HD21 ASN 449 -4.918 1.790 -3.536 159 HD22 ASN 449 HD22 ASN 449 -6.505 1.534 -4.157 160 H ASN 450 HN ASN 450 -5.901 -2.667 -3.733 161 HA ASN 450 HA ASN 450 -5.520 -4.738 -5.776 162 HB2 ASN 450 HB2 ASN 450 -7.138 -6.058 -4.446 163 HB3 ASN 450 HB1 ASN 450 -5.674 -5.629 -3.572 164 HD21 ASN 450 HD21 ASN 450 -5.859 -4.296 -1.633 165 HD22 ASN 450 HD22 ASN 450 -7.437 -3.827 -1.062 166 H ARG 451 HN ARG 451 -7.126 -1.872 -5.466 167 HA ARG 451 HA ARG 451 -9.463 -2.748 -7.005 168 HB2 ARG 451 HB2 ARG 451 -10.220 -0.449 -6.914 169 HB3 ARG 451 HB1 ARG 451 -9.720 -0.929 -5.295 170 HG2 ARG 451 HG2 ARG 451 -7.771 0.345 -5.393 171 HG3 ARG 451 HG1 ARG 451 -7.839 0.478 -7.147 172 HD2 ARG 451 HD2 ARG 451 -9.899 1.879 -6.866 173 HD3 ARG 451 HD1 ARG 451 -9.586 1.868 -5.126 174 HE ARG 451 HE ARG 451 -7.439 2.762 -6.901 175 HH11 ARG 451 HH11 ARG 451 -9.988 3.652 -4.678 176 HH12 ARG 451 HH12 ARG 451 -9.290 5.191 -4.287 177 HH21 ARG 451 HH21 ARG 451 -6.507 4.761 -6.402 178 HH22 ARG 451 HH22 ARG 451 -7.279 5.823 -5.255 179 H THR 452 HN THR 452 -6.328 -1.445 -7.400 180 HA THR 452 HA THR 452 -6.767 -0.967 -10.268 181 HB THR 452 HB THR 452 -5.206 0.885 -8.460 182 HG1 THR 452 HG1 THR 452 -7.847 1.224 -9.504 183 HG21 THR 452 HG21 THR 452 -6.214 1.267 -11.272 184 HG22 THR 452 HG22 THR 452 -4.546 0.920 -10.817 185 HG23 THR 452 HG23 THR 452 -5.299 2.435 -10.317 186 H LEU 453 HN LEU 453 -4.916 -2.196 -7.729 187 HA LEU 453 HA LEU 453 -3.008 -3.224 -7.471 188 HB2 LEU 453 HB2 LEU 453 -2.070 -4.578 -9.379 189 HB3 LEU 453 HB1 LEU 453 -3.670 -4.961 -8.764 190 HG LEU 453 HG LEU 453 -3.526 -3.191 -11.160 191 HD11 LEU 453 HD11 LEU 453 -1.827 -4.880 -11.652 192 HD12 LEU 453 HD12 LEU 453 -3.264 -5.109 -12.648 193 HD13 LEU 453 HD13 LEU 453 -2.979 -6.157 -11.258 194 HD21 LEU 453 HD21 LEU 453 -5.494 -4.506 -11.784 195 HD22 LEU 453 HD22 LEU 453 -5.668 -3.839 -10.160 196 HD23 LEU 453 HD23 LEU 453 -5.257 -5.540 -10.375 197 H TYR 454 HN TYR 454 -1.936 -1.635 -6.815 198 HA TYR 454 HA TYR 454 -0.016 -0.255 -8.593 199 HB2 TYR 454 HB2 TYR 454 -0.672 0.299 -5.694 200 HB3 TYR 454 HB1 TYR 454 0.244 1.330 -6.739 201 HD1 TYR 454 HD2 TYR 454 -2.977 -0.016 -6.026 202 HD2 TYR 454 HD1 TYR 454 -0.909 3.035 -8.069 203 HE1 TYR 454 HE2 TYR 454 -5.064 1.123 -6.271 204 HE2 TYR 454 HE1 TYR 454 -3.031 4.270 -8.382 205 HH TYR 454 HH TYR 454 -5.458 3.817 -8.412 206 H SER 455 HN SER 455 2.217 -0.568 -8.189 207 HA SER 455 HA SER 455 2.835 -1.915 -5.650 208 HB2 SER 455 HB2 SER 455 5.010 -2.629 -6.820 209 HB3 SER 455 HB1 SER 455 3.530 -3.501 -7.229 210 HG SER 455 HG SER 455 4.040 -1.284 -8.795 211 H THR 456 HN THR 456 3.216 -0.186 -4.407 212 HA THR 456 HA THR 456 5.356 1.620 -5.307 213 HB THR 456 HB THR 456 3.345 2.921 -5.364 214 HG1 THR 456 HG1 THR 456 4.048 3.953 -2.954 215 HG21 THR 456 HG21 THR 456 1.868 3.186 -3.444 216 HG22 THR 456 HG22 THR 456 2.834 2.027 -2.530 217 HG23 THR 456 HG23 THR 456 1.938 1.500 -3.956 218 H TRP 457 HN TRP 457 7.077 1.536 -4.129 219 HA TRP 457 HA TRP 457 7.091 0.344 -1.496 220 HB2 TRP 457 HB2 TRP 457 9.360 1.726 -2.949 221 HB3 TRP 457 HB1 TRP 457 9.496 0.620 -1.588 222 HD1 TRP 457 HD1 TRP 457 8.890 0.675 -5.355 223 HE1 TRP 457 HE1 TRP 457 9.166 -1.706 -6.285 224 HE3 TRP 457 HE3 TRP 457 9.332 -1.864 -0.944 225 HZ2 TRP 457 HZ2 TRP 457 9.538 -4.319 -5.280 226 HZ3 TRP 457 HZ3 TRP 457 9.643 -4.303 -1.018 227 HH2 TRP 457 HH2 TRP 457 9.746 -5.503 -3.137 228 H GLU 458 HN GLU 458 6.196 3.273 -2.576 229 HA GLU 458 HA GLU 458 7.235 4.722 -0.238 230 HB2 GLU 458 HB2 GLU 458 7.680 5.626 -2.573 231 HB3 GLU 458 HB1 GLU 458 5.950 5.912 -2.700 232 HG2 GLU 458 HG2 GLU 458 7.214 7.923 -2.067 233 HG3 GLU 458 HG1 GLU 458 6.019 7.454 -0.855 234 H LYS 459 HN LYS 459 5.805 5.748 1.149 235 HA LYS 459 HA LYS 459 3.189 4.583 1.334 236 HB2 LYS 459 HB2 LYS 459 4.648 5.170 3.294 237 HB3 LYS 459 HB1 LYS 459 4.344 6.867 2.946 238 HG2 LYS 459 HG2 LYS 459 1.924 6.455 3.273 239 HG3 LYS 459 HG1 LYS 459 2.307 4.796 3.736 240 HD2 LYS 459 HD2 LYS 459 3.244 7.302 5.132 241 HD3 LYS 459 HD1 LYS 459 2.001 6.192 5.707 242 HE2 LYS 459 HE2 LYS 459 4.875 5.432 5.213 243 HE3 LYS 459 HE1 LYS 459 4.225 5.887 6.786 244 HZ1 LYS 459 HZ1 LYS 459 2.788 3.997 6.764 245 HZ2 LYS 459 HZ2 LYS 459 4.359 3.460 6.406 246 HZ3 LYS 459 HZ3 LYS 459 3.214 3.607 5.169 247 HA PRO 460 HA PRO 460 1.297 7.804 -1.134 248 HB2 PRO 460 HB2 PRO 460 -1.166 6.746 -1.218 249 HB3 PRO 460 HB1 PRO 460 0.178 6.051 -2.131 250 HG2 PRO 460 HG2 PRO 460 -1.021 5.161 0.457 251 HG3 PRO 460 HG1 PRO 460 -0.475 4.187 -0.920 252 HD2 PRO 460 HD2 PRO 460 0.988 4.593 1.369 253 HD3 PRO 460 HD1 PRO 460 1.695 4.192 -0.207 254 H GLN 461 HN GLN 461 -0.617 9.197 -0.969 255 HA GLN 461 HA GLN 461 -0.437 10.598 1.450 256 HB2 GLN 461 HB2 GLN 461 -2.283 10.898 -0.907 257 HB3 GLN 461 HB1 GLN 461 -2.295 11.993 0.461 258 HG2 GLN 461 HG2 GLN 461 -1.011 12.998 -1.259 259 HG3 GLN 461 HG1 GLN 461 0.098 12.492 0.012 260 HE21 GLN 461 HE21 GLN 461 1.842 12.490 -1.392 261 HE22 GLN 461 HE22 GLN 461 2.052 11.271 -2.602 262 H GLU 462 HN GLU 462 -2.746 8.209 0.366 263 HA GLU 462 HA GLU 462 -4.662 8.925 2.414 264 HB2 GLU 462 HB2 GLU 462 -5.862 6.843 1.614 265 HB3 GLU 462 HB1 GLU 462 -5.658 8.125 0.430 266 HG2 GLU 462 HG2 GLU 462 -3.631 5.954 0.534 267 HG3 GLU 462 HG1 GLU 462 -5.211 5.610 -0.171 268 H LEU 463 HN LEU 463 -1.798 7.268 2.475 269 HA LEU 463 HA LEU 463 -2.717 5.546 4.682 270 HB2 LEU 463 HB2 LEU 463 -0.481 5.209 2.706 271 HB3 LEU 463 HB1 LEU 463 -0.481 4.343 4.230 272 HG LEU 463 HG LEU 463 -2.699 4.155 2.186 273 HD11 LEU 463 HD11 LEU 463 -0.415 2.261 2.735 274 HD12 LEU 463 HD12 LEU 463 -0.629 3.237 1.280 275 HD13 LEU 463 HD13 LEU 463 -1.777 1.954 1.659 276 HD21 LEU 463 HD21 LEU 463 -3.372 3.670 4.488 277 HD22 LEU 463 HD22 LEU 463 -2.055 2.501 4.620 278 HD23 LEU 463 HD23 LEU 463 -3.379 2.214 3.490 279 H LYS 464 HN LYS 464 -1.250 8.420 4.168 280 HA LYS 464 HA LYS 464 0.551 8.103 6.468 281 HB2 LYS 464 HB2 LYS 464 1.544 10.295 5.664 282 HB3 LYS 464 HB1 LYS 464 1.826 8.892 4.644 283 HG2 LYS 464 HG2 LYS 464 0.371 9.634 3.001 284 HG3 LYS 464 HG1 LYS 464 -0.465 10.732 4.100 285 HD2 LYS 464 HD2 LYS 464 2.365 11.052 3.102 286 HD3 LYS 464 HD1 LYS 464 0.959 11.947 2.520 287 HE2 LYS 464 HE2 LYS 464 2.152 12.020 5.288 288 HE3 LYS 464 HE1 LYS 464 2.153 13.318 4.095 289 HZ1 LYS 464 HZ1 LYS 464 -0.280 13.387 4.256 290 HZ2 LYS 464 HZ2 LYS 464 0.460 13.701 5.751 291 HZ3 LYS 464 HZ3 LYS 464 -0.239 12.181 5.454 Start of MODEL 7 1 H1 GLY 428 HT1 GLY 428 -18.072 8.928 3.569 2 H2 GLY 428 HT2 GLY 428 -18.353 7.261 3.677 3 H3 GLY 428 HT3 GLY 428 -16.772 7.844 3.505 4 HA2 GLY 428 HA1 GLY 428 -16.842 8.861 5.665 5 HA3 GLY 428 HA2 GLY 428 -18.523 8.375 5.841 6 H ALA 429 HN ALA 429 -16.082 6.341 4.367 7 HA ALA 429 HA ALA 429 -16.574 4.315 6.394 8 HB1 ALA 429 HB1 ALA 429 -16.563 3.657 4.039 9 HB2 ALA 429 HB2 ALA 429 -15.278 2.843 4.930 10 HB3 ALA 429 HB3 ALA 429 -14.896 4.212 3.885 11 H THR 430 HN THR 430 -14.893 3.332 7.607 12 HA THR 430 HA THR 430 -12.921 5.203 8.512 13 HB THR 430 HB THR 430 -12.194 3.211 9.956 14 HG1 THR 430 HG1 THR 430 -13.244 1.657 8.496 15 HG21 THR 430 HG21 THR 430 -15.039 4.208 10.124 16 HG22 THR 430 HG22 THR 430 -13.615 5.007 10.793 17 HG23 THR 430 HG23 THR 430 -14.139 3.449 11.437 18 H ALA 431 HN ALA 431 -11.318 5.616 7.135 19 HA ALA 431 HA ALA 431 -9.346 5.384 6.057 20 HB1 ALA 431 HB1 ALA 431 -8.656 4.004 7.958 21 HB2 ALA 431 HB2 ALA 431 -7.941 3.442 6.448 22 HB3 ALA 431 HB3 ALA 431 -9.305 2.575 7.153 23 H VAL 432 HN VAL 432 -8.199 3.852 4.376 24 HA VAL 432 HA VAL 432 -10.217 3.388 2.343 25 HB VAL 432 HB VAL 432 -8.313 3.174 0.779 26 HG11 VAL 432 HG11 VAL 432 -7.565 5.506 0.902 27 HG12 VAL 432 HG12 VAL 432 -8.206 5.621 2.542 28 HG13 VAL 432 HG13 VAL 432 -9.301 5.362 1.184 29 HG21 VAL 432 HG21 VAL 432 -6.613 3.726 3.213 30 HG22 VAL 432 HG22 VAL 432 -6.039 3.682 1.545 31 HG23 VAL 432 HG23 VAL 432 -6.666 2.218 2.302 32 H SER 433 HN SER 433 -10.227 1.487 1.023 33 HA SER 433 HA SER 433 -9.018 -0.887 2.273 34 HB2 SER 433 HB2 SER 433 -11.449 -0.733 2.847 35 HB3 SER 433 HB1 SER 433 -11.818 -0.806 1.124 36 HG SER 433 HG SER 433 -10.181 -2.785 2.268 37 H GLU 434 HN GLU 434 -9.541 1.014 -0.449 38 HA GLU 434 HA GLU 434 -9.304 -0.920 -2.500 39 HB2 GLU 434 HB2 GLU 434 -8.283 1.102 -3.786 40 HB3 GLU 434 HB1 GLU 434 -9.966 1.127 -3.340 41 HG2 GLU 434 HG2 GLU 434 -7.973 2.357 -1.517 42 HG3 GLU 434 HG1 GLU 434 -8.473 3.216 -2.972 43 H TRP 435 HN TRP 435 -7.022 0.694 -0.460 44 HA TRP 435 HA TRP 435 -4.757 -0.166 -2.063 45 HB2 TRP 435 HB2 TRP 435 -5.136 1.627 0.316 46 HB3 TRP 435 HB1 TRP 435 -3.534 0.994 -0.056 47 HD1 TRP 435 HD1 TRP 435 -6.232 3.329 -1.509 48 HE1 TRP 435 HE1 TRP 435 -5.105 4.855 -3.264 49 HE3 TRP 435 HE3 TRP 435 -1.619 1.149 -1.607 50 HZ2 TRP 435 HZ2 TRP 435 -2.576 5.081 -4.514 51 HZ3 TRP 435 HZ3 TRP 435 0.094 2.065 -3.107 52 HH2 TRP 435 HH2 TRP 435 -0.369 3.988 -4.524 53 H THR 436 HN THR 436 -3.262 -1.718 -1.379 54 HA THR 436 HA THR 436 -4.139 -3.123 0.922 55 HB THR 436 HB THR 436 -3.667 -4.295 -1.723 56 HG1 THR 436 HG1 THR 436 -5.339 -4.679 0.512 57 HG21 THR 436 HG21 THR 436 -2.904 -5.770 0.803 58 HG22 THR 436 HG22 THR 436 -1.796 -5.277 -0.477 59 HG23 THR 436 HG23 THR 436 -3.044 -6.480 -0.805 60 H GLU 437 HN GLU 437 -2.491 -3.761 2.354 61 HA GLU 437 HA GLU 437 0.212 -3.014 1.446 62 HB2 GLU 437 HB2 GLU 437 0.830 -2.653 3.762 63 HB3 GLU 437 HB1 GLU 437 -0.593 -1.701 3.366 64 HG2 GLU 437 HG2 GLU 437 -0.740 -4.356 4.702 65 HG3 GLU 437 HG1 GLU 437 -0.559 -2.858 5.608 66 H TYR 438 HN TYR 438 1.801 -4.438 1.444 67 HA TYR 438 HA TYR 438 1.344 -7.124 2.556 68 HB2 TYR 438 HB2 TYR 438 2.411 -6.422 -0.168 69 HB3 TYR 438 HB1 TYR 438 2.725 -7.971 0.581 70 HD1 TYR 438 HD1 TYR 438 0.218 -8.775 1.721 71 HD2 TYR 438 HD2 TYR 438 0.956 -6.726 -1.932 72 HE1 TYR 438 HE1 TYR 438 -1.853 -9.710 0.783 73 HE2 TYR 438 HE2 TYR 438 -1.120 -7.646 -2.874 74 HH TYR 438 HH TYR 438 -2.569 -9.666 -2.489 75 H LYS 439 HN LYS 439 3.185 -8.193 3.261 76 HA LYS 439 HA LYS 439 5.640 -6.584 3.259 77 HB2 LYS 439 HB2 LYS 439 4.390 -8.068 5.500 78 HB3 LYS 439 HB1 LYS 439 6.135 -8.127 5.351 79 HG2 LYS 439 HG2 LYS 439 6.212 -6.242 6.451 80 HG3 LYS 439 HG1 LYS 439 5.538 -5.483 5.003 81 HD2 LYS 439 HD2 LYS 439 3.296 -5.742 5.860 82 HD3 LYS 439 HD1 LYS 439 3.888 -6.732 7.195 83 HE2 LYS 439 HE2 LYS 439 5.135 -4.786 8.046 84 HE3 LYS 439 HE1 LYS 439 4.446 -3.805 6.754 85 HZ1 LYS 439 HZ1 LYS 439 3.178 -3.448 8.710 86 HZ2 LYS 439 HZ2 LYS 439 2.994 -5.110 8.990 87 HZ3 LYS 439 HZ3 LYS 439 2.216 -4.383 7.669 88 H THR 440 HN THR 440 7.497 -7.518 3.014 89 HA THR 440 HA THR 440 7.549 -10.397 2.370 90 HB THR 440 HB THR 440 9.970 -9.756 1.586 91 HG1 THR 440 HG1 THR 440 10.301 -7.687 1.864 92 HG21 THR 440 HG21 THR 440 8.297 -10.602 0.067 93 HG22 THR 440 HG22 THR 440 9.099 -9.220 -0.677 94 HG23 THR 440 HG23 THR 440 7.491 -9.036 0.021 95 H ALA 441 HN ALA 441 9.253 -11.671 3.381 96 HA ALA 441 HA ALA 441 9.208 -11.295 6.146 97 HB1 ALA 441 HB1 ALA 441 11.120 -13.019 4.591 98 HB2 ALA 441 HB2 ALA 441 9.482 -13.470 5.065 99 HB3 ALA 441 HB3 ALA 441 10.710 -13.182 6.298 100 H ASP 442 HN ASP 442 11.268 -9.762 3.918 101 HA ASP 442 HA ASP 442 13.405 -9.325 5.830 102 HB2 ASP 442 HB2 ASP 442 14.351 -7.850 4.018 103 HB3 ASP 442 HB1 ASP 442 14.149 -9.542 3.583 104 H GLY 443 HN GLY 443 10.392 -8.059 5.370 105 HA2 GLY 443 HA2 GLY 443 9.451 -6.595 6.953 106 HA3 GLY 443 HA1 GLY 443 11.055 -5.931 7.259 107 H LYS 444 HN LYS 444 9.854 -6.384 4.051 108 HA LYS 444 HA LYS 444 9.800 -3.512 3.605 109 HB2 LYS 444 HB2 LYS 444 9.464 -5.874 1.758 110 HB3 LYS 444 HB1 LYS 444 9.360 -4.197 1.234 111 HG2 LYS 444 HG2 LYS 444 11.595 -3.806 1.829 112 HG3 LYS 444 HG1 LYS 444 11.761 -5.383 2.582 113 HD2 LYS 444 HD2 LYS 444 11.329 -6.425 0.373 114 HD3 LYS 444 HD1 LYS 444 11.312 -4.817 -0.347 115 HE2 LYS 444 HE2 LYS 444 13.565 -4.553 -0.151 116 HE3 LYS 444 HE1 LYS 444 13.669 -5.568 1.289 117 HZ1 LYS 444 HZ1 LYS 444 14.664 -6.537 -0.775 118 HZ2 LYS 444 HZ2 LYS 444 13.094 -6.652 -1.415 119 HZ3 LYS 444 HZ3 LYS 444 13.506 -7.513 -0.007 120 H THR 445 HN THR 445 7.938 -2.503 4.164 121 HA THR 445 HA THR 445 5.434 -3.879 3.545 122 HB THR 445 HB THR 445 5.678 -1.103 4.715 123 HG1 THR 445 HG1 THR 445 6.826 -2.313 6.152 124 HG21 THR 445 HG21 THR 445 3.563 -3.254 4.930 125 HG22 THR 445 HG22 THR 445 3.464 -1.796 3.939 126 HG23 THR 445 HG23 THR 445 3.496 -1.666 5.698 127 H TYR 446 HN TYR 446 5.675 -3.787 1.259 128 HA TYR 446 HA TYR 446 5.421 -1.120 0.084 129 HB2 TYR 446 HB2 TYR 446 5.618 -2.268 -2.093 130 HB3 TYR 446 HB1 TYR 446 6.991 -2.577 -1.040 131 HD1 TYR 446 HD1 TYR 446 6.999 -4.799 0.249 132 HD2 TYR 446 HD2 TYR 446 4.462 -4.019 -3.073 133 HE1 TYR 446 HE1 TYR 446 6.732 -7.212 -0.100 134 HE2 TYR 446 HE2 TYR 446 4.177 -6.433 -3.431 135 HH TYR 446 HH TYR 446 5.130 -8.758 -1.142 136 H TYR 447 HN TYR 447 3.655 -0.508 -1.174 137 HA TYR 447 HA TYR 447 1.221 -1.838 -0.264 138 HB2 TYR 447 HB2 TYR 447 1.619 0.953 -1.358 139 HB3 TYR 447 HB1 TYR 447 0.092 0.286 -0.776 140 HD1 TYR 447 HD1 TYR 447 0.289 -0.822 1.649 141 HD2 TYR 447 HD2 TYR 447 2.810 2.247 0.136 142 HE1 TYR 447 HE1 TYR 447 0.848 -0.178 3.951 143 HE2 TYR 447 HE2 TYR 447 3.390 2.911 2.428 144 HH TYR 447 HH TYR 447 3.229 1.292 4.932 145 H TYR 448 HN TYR 448 0.354 -3.181 -1.552 146 HA TYR 448 HA TYR 448 0.265 -2.653 -4.437 147 HB2 TYR 448 HB2 TYR 448 1.282 -4.821 -3.715 148 HB3 TYR 448 HB1 TYR 448 -0.241 -5.244 -2.947 149 HD1 TYR 448 HD2 TYR 448 1.368 -4.566 -6.207 150 HD2 TYR 448 HD1 TYR 448 -2.007 -6.207 -4.207 151 HE1 TYR 448 HE2 TYR 448 0.628 -5.591 -8.314 152 HE2 TYR 448 HE1 TYR 448 -2.757 -7.238 -6.309 153 HH TYR 448 HH TYR 448 -2.495 -7.126 -8.619 154 H ASN 449 HN ASN 449 -1.595 -1.595 -4.911 155 HA ASN 449 HA ASN 449 -3.922 -2.028 -3.225 156 HB2 ASN 449 HB2 ASN 449 -3.552 0.152 -3.389 157 HB3 ASN 449 HB1 ASN 449 -3.124 0.092 -5.086 158 HD21 ASN 449 HD21 ASN 449 -4.919 1.963 -3.937 159 HD22 ASN 449 HD22 ASN 449 -6.479 1.711 -4.610 160 H ASN 450 HN ASN 450 -5.950 -2.538 -3.888 161 HA ASN 450 HA ASN 450 -5.581 -4.675 -5.857 162 HB2 ASN 450 HB2 ASN 450 -7.270 -5.883 -4.495 163 HB3 ASN 450 HB1 ASN 450 -5.797 -5.465 -3.626 164 HD21 ASN 450 HD21 ASN 450 -5.961 -4.067 -1.742 165 HD22 ASN 450 HD22 ASN 450 -7.515 -3.470 -1.237 166 H ARG 451 HN ARG 451 -7.159 -1.765 -5.661 167 HA ARG 451 HA ARG 451 -9.510 -2.683 -7.144 168 HB2 ARG 451 HB2 ARG 451 -10.275 -0.402 -7.139 169 HB3 ARG 451 HB1 ARG 451 -9.759 -0.807 -5.506 170 HG2 ARG 451 HG2 ARG 451 -7.756 0.465 -5.760 171 HG3 ARG 451 HG1 ARG 451 -8.045 0.675 -7.487 172 HD2 ARG 451 HD2 ARG 451 -10.151 1.904 -6.881 173 HD3 ARG 451 HD1 ARG 451 -9.619 1.849 -5.201 174 HE ARG 451 HE ARG 451 -7.675 2.975 -7.009 175 HH11 ARG 451 HH11 ARG 451 -10.435 3.640 -4.956 176 HH12 ARG 451 HH12 ARG 451 -10.111 5.339 -4.844 177 HH21 ARG 451 HH21 ARG 451 -7.233 5.220 -6.865 178 HH22 ARG 451 HH22 ARG 451 -8.277 6.232 -5.916 179 H THR 452 HN THR 452 -6.360 -1.611 -7.689 180 HA THR 452 HA THR 452 -6.823 -1.265 -10.542 181 HB THR 452 HB THR 452 -5.611 0.893 -8.804 182 HG1 THR 452 HG1 THR 452 -8.166 0.393 -9.727 183 HG21 THR 452 HG21 THR 452 -6.206 0.927 -11.751 184 HG22 THR 452 HG22 THR 452 -4.599 0.800 -11.031 185 HG23 THR 452 HG23 THR 452 -5.560 2.258 -10.791 186 H LEU 453 HN LEU 453 -4.938 -2.145 -7.907 187 HA LEU 453 HA LEU 453 -3.050 -3.178 -7.587 188 HB2 LEU 453 HB2 LEU 453 -2.132 -4.651 -9.380 189 HB3 LEU 453 HB1 LEU 453 -3.779 -4.934 -8.836 190 HG LEU 453 HG LEU 453 -4.315 -3.446 -11.000 191 HD11 LEU 453 HD11 LEU 453 -1.988 -3.055 -11.591 192 HD12 LEU 453 HD12 LEU 453 -2.797 -4.015 -12.829 193 HD13 LEU 453 HD13 LEU 453 -1.708 -4.794 -11.682 194 HD21 LEU 453 HD21 LEU 453 -5.167 -5.677 -10.561 195 HD22 LEU 453 HD22 LEU 453 -3.622 -6.378 -11.043 196 HD23 LEU 453 HD23 LEU 453 -4.619 -5.539 -12.232 197 H TYR 454 HN TYR 454 -1.787 -1.864 -6.920 198 HA TYR 454 HA TYR 454 0.104 -0.431 -8.705 199 HB2 TYR 454 HB2 TYR 454 -0.670 0.272 -5.868 200 HB3 TYR 454 HB1 TYR 454 0.260 1.260 -6.945 201 HD1 TYR 454 HD1 TYR 454 -2.981 -0.191 -6.383 202 HD2 TYR 454 HD2 TYR 454 -0.864 2.936 -8.268 203 HE1 TYR 454 HE1 TYR 454 -5.074 0.898 -6.772 204 HE2 TYR 454 HE2 TYR 454 -2.991 4.093 -8.742 205 HH TYR 454 HH TYR 454 -5.334 3.699 -8.867 206 H SER 455 HN SER 455 2.310 -0.712 -8.170 207 HA SER 455 HA SER 455 2.804 -1.985 -5.568 208 HB2 SER 455 HB2 SER 455 5.006 -2.793 -6.677 209 HB3 SER 455 HB1 SER 455 3.511 -3.674 -7.005 210 HG SER 455 HG SER 455 4.414 -1.574 -8.684 211 H THR 456 HN THR 456 3.131 -0.170 -4.433 212 HA THR 456 HA THR 456 5.426 1.464 -5.266 213 HB THR 456 HB THR 456 3.538 2.887 -5.506 214 HG1 THR 456 HG1 THR 456 4.167 3.827 -2.986 215 HG21 THR 456 HG21 THR 456 2.683 2.064 -2.731 216 HG22 THR 456 HG22 THR 456 1.895 1.607 -4.242 217 HG23 THR 456 HG23 THR 456 1.901 3.293 -3.727 218 H TRP 457 HN TRP 457 7.069 1.354 -3.962 219 HA TRP 457 HA TRP 457 6.857 0.165 -1.341 220 HB2 TRP 457 HB2 TRP 457 9.280 1.484 -2.596 221 HB3 TRP 457 HB1 TRP 457 9.266 0.333 -1.266 222 HD1 TRP 457 HD1 TRP 457 8.879 0.511 -5.074 223 HE1 TRP 457 HE1 TRP 457 9.218 -1.847 -6.050 224 HE3 TRP 457 HE3 TRP 457 9.110 -2.141 -0.712 225 HZ2 TRP 457 HZ2 TRP 457 9.541 -4.487 -5.092 226 HZ3 TRP 457 HZ3 TRP 457 9.429 -4.576 -0.829 227 HH2 TRP 457 HH2 TRP 457 9.645 -5.723 -2.971 228 H GLU 458 HN GLU 458 6.396 3.200 -2.599 229 HA GLU 458 HA GLU 458 7.270 4.621 -0.201 230 HB2 GLU 458 HB2 GLU 458 7.840 5.553 -2.428 231 HB3 GLU 458 HB1 GLU 458 6.126 5.696 -2.789 232 HG2 GLU 458 HG2 GLU 458 7.100 7.828 -2.120 233 HG3 GLU 458 HG1 GLU 458 5.852 7.299 -0.992 234 H LYS 459 HN LYS 459 5.889 5.675 1.131 235 HA LYS 459 HA LYS 459 3.269 4.554 1.411 236 HB2 LYS 459 HB2 LYS 459 4.936 5.302 3.215 237 HB3 LYS 459 HB1 LYS 459 4.364 6.931 2.900 238 HG2 LYS 459 HG2 LYS 459 2.096 6.225 3.514 239 HG3 LYS 459 HG1 LYS 459 2.713 4.607 3.875 240 HD2 LYS 459 HD2 LYS 459 4.410 5.945 5.375 241 HD3 LYS 459 HD1 LYS 459 3.157 7.184 5.317 242 HE2 LYS 459 HE2 LYS 459 1.548 5.337 6.035 243 HE3 LYS 459 HE1 LYS 459 2.991 4.400 6.422 244 HZ1 LYS 459 HZ1 LYS 459 2.220 7.031 7.574 245 HZ2 LYS 459 HZ2 LYS 459 3.686 6.235 7.886 246 HZ3 LYS 459 HZ3 LYS 459 2.227 5.536 8.374 247 HA PRO 460 HA PRO 460 1.393 7.630 -1.224 248 HB2 PRO 460 HB2 PRO 460 -1.130 6.676 -1.090 249 HB3 PRO 460 HB1 PRO 460 0.132 5.885 -2.040 250 HG2 PRO 460 HG2 PRO 460 -0.936 5.180 0.657 251 HG3 PRO 460 HG1 PRO 460 -0.484 4.114 -0.686 252 HD2 PRO 460 HD2 PRO 460 1.118 4.590 1.492 253 HD3 PRO 460 HD1 PRO 460 1.727 4.121 -0.105 254 H GLN 461 HN GLN 461 -0.519 9.132 -1.066 255 HA GLN 461 HA GLN 461 -0.094 10.656 1.282 256 HB2 GLN 461 HB2 GLN 461 -2.285 11.136 -0.728 257 HB3 GLN 461 HB1 GLN 461 -1.457 12.316 0.279 258 HG2 GLN 461 HG2 GLN 461 -0.151 10.740 -1.926 259 HG3 GLN 461 HG1 GLN 461 -0.792 12.368 -2.105 260 HE21 GLN 461 HE21 GLN 461 1.191 13.181 -2.685 261 HE22 GLN 461 HE22 GLN 461 2.471 13.414 -1.542 262 H GLU 462 HN GLU 462 -2.600 8.433 0.317 263 HA GLU 462 HA GLU 462 -4.370 9.269 2.461 264 HB2 GLU 462 HB2 GLU 462 -5.750 7.280 1.673 265 HB3 GLU 462 HB1 GLU 462 -5.546 8.604 0.537 266 HG2 GLU 462 HG2 GLU 462 -3.738 6.223 0.449 267 HG3 GLU 462 HG1 GLU 462 -5.332 6.180 -0.303 268 H LEU 463 HN LEU 463 -1.639 7.451 2.330 269 HA LEU 463 HA LEU 463 -2.472 5.887 4.686 270 HB2 LEU 463 HB2 LEU 463 -0.471 5.276 2.528 271 HB3 LEU 463 HB1 LEU 463 -0.361 4.512 4.102 272 HG LEU 463 HG LEU 463 -2.771 4.328 2.296 273 HD11 LEU 463 HD11 LEU 463 -0.844 3.207 1.301 274 HD12 LEU 463 HD12 LEU 463 -2.047 2.044 1.858 275 HD13 LEU 463 HD13 LEU 463 -0.585 2.320 2.803 276 HD21 LEU 463 HD21 LEU 463 -3.282 4.071 4.657 277 HD22 LEU 463 HD22 LEU 463 -2.006 2.865 4.810 278 HD23 LEU 463 HD23 LEU 463 -3.424 2.528 3.817 279 H LYS 464 HN LYS 464 -1.006 8.608 3.846 280 HA LYS 464 HA LYS 464 1.591 8.561 4.845 281 HB2 LYS 464 HB2 LYS 464 0.072 10.383 3.553 282 HB3 LYS 464 HB1 LYS 464 0.052 11.069 5.170 283 HG2 LYS 464 HG2 LYS 464 1.834 12.065 3.933 284 HG3 LYS 464 HG1 LYS 464 2.532 11.012 5.168 285 HD2 LYS 464 HD2 LYS 464 3.016 9.321 3.561 286 HD3 LYS 464 HD1 LYS 464 2.072 10.145 2.318 287 HE2 LYS 464 HE2 LYS 464 3.664 12.014 2.371 288 HE3 LYS 464 HE1 LYS 464 4.616 11.158 3.582 289 HZ1 LYS 464 HZ1 LYS 464 4.030 9.989 0.928 290 HZ2 LYS 464 HZ2 LYS 464 5.215 9.513 2.045 291 HZ3 LYS 464 HZ3 LYS 464 5.378 10.977 1.205 Start of MODEL 8 1 H1 GLY 428 HT1 GLY 428 -6.809 10.298 4.767 2 H2 GLY 428 HT2 GLY 428 -6.177 9.275 5.971 3 H3 GLY 428 HT3 GLY 428 -5.294 10.621 5.449 4 HA2 GLY 428 HA1 GLY 428 -6.370 10.955 7.625 5 HA3 GLY 428 HA2 GLY 428 -6.812 12.141 6.407 6 H ALA 429 HN ALA 429 -8.753 11.214 4.987 7 HA ALA 429 HA ALA 429 -10.945 11.324 6.800 8 HB1 ALA 429 HB1 ALA 429 -11.004 12.407 4.611 9 HB2 ALA 429 HB2 ALA 429 -12.342 11.275 4.807 10 HB3 ALA 429 HB3 ALA 429 -10.946 10.828 3.826 11 H THR 430 HN THR 430 -11.395 9.638 8.019 12 HA THR 430 HA THR 430 -11.985 7.588 8.709 13 HB THR 430 HB THR 430 -13.023 7.353 5.878 14 HG1 THR 430 HG1 THR 430 -13.842 9.068 7.272 15 HG21 THR 430 HG21 THR 430 -14.511 5.609 6.757 16 HG22 THR 430 HG22 THR 430 -13.701 5.699 8.321 17 HG23 THR 430 HG23 THR 430 -12.821 5.128 6.902 18 H ALA 431 HN ALA 431 -11.350 6.244 5.485 19 HA ALA 431 HA ALA 431 -8.760 5.349 5.780 20 HB1 ALA 431 HB1 ALA 431 -9.523 4.155 7.779 21 HB2 ALA 431 HB2 ALA 431 -9.056 3.023 6.509 22 HB3 ALA 431 HB3 ALA 431 -10.761 3.340 6.826 23 H VAL 432 HN VAL 432 -8.156 4.389 3.898 24 HA VAL 432 HA VAL 432 -10.278 3.742 1.996 25 HB VAL 432 HB VAL 432 -8.516 3.708 0.281 26 HG11 VAL 432 HG11 VAL 432 -7.982 6.095 0.306 27 HG12 VAL 432 HG12 VAL 432 -8.471 6.187 1.999 28 HG13 VAL 432 HG13 VAL 432 -9.660 5.799 0.755 29 HG21 VAL 432 HG21 VAL 432 -6.650 2.929 1.604 30 HG22 VAL 432 HG22 VAL 432 -6.668 4.417 2.554 31 HG23 VAL 432 HG23 VAL 432 -6.240 4.471 0.842 32 H SER 433 HN SER 433 -10.667 1.713 1.289 33 HA SER 433 HA SER 433 -9.054 -0.408 2.536 34 HB2 SER 433 HB2 SER 433 -11.861 -0.589 1.427 35 HB3 SER 433 HB1 SER 433 -11.001 -1.826 2.343 36 HG SER 433 HG SER 433 -10.920 -0.291 4.092 37 H GLU 434 HN GLU 434 -9.345 1.131 -0.340 38 HA GLU 434 HA GLU 434 -9.270 -1.100 -2.132 39 HB2 GLU 434 HB2 GLU 434 -8.541 0.578 -3.809 40 HB3 GLU 434 HB1 GLU 434 -10.017 0.998 -2.984 41 HG2 GLU 434 HG2 GLU 434 -8.906 2.605 -1.626 42 HG3 GLU 434 HG1 GLU 434 -7.341 2.091 -2.255 43 H TRP 435 HN TRP 435 -6.998 0.598 -0.225 44 HA TRP 435 HA TRP 435 -4.732 -0.214 -1.841 45 HB2 TRP 435 HB2 TRP 435 -5.141 1.583 0.526 46 HB3 TRP 435 HB1 TRP 435 -3.526 0.975 0.164 47 HD1 TRP 435 HD1 TRP 435 -6.253 3.274 -1.282 48 HE1 TRP 435 HE1 TRP 435 -5.164 4.765 -3.085 49 HE3 TRP 435 HE3 TRP 435 -1.635 1.109 -1.422 50 HZ2 TRP 435 HZ2 TRP 435 -2.649 4.989 -4.383 51 HZ3 TRP 435 HZ3 TRP 435 0.053 2.010 -2.955 52 HH2 TRP 435 HH2 TRP 435 -0.435 3.905 -4.404 53 H THR 436 HN THR 436 -3.174 -1.687 -1.139 54 HA THR 436 HA THR 436 -3.973 -3.091 1.181 55 HB THR 436 HB THR 436 -3.567 -4.285 -1.457 56 HG1 THR 436 HG1 THR 436 -5.172 -4.629 0.825 57 HG21 THR 436 HG21 THR 436 -2.683 -5.703 1.060 58 HG22 THR 436 HG22 THR 436 -1.642 -5.224 -0.280 59 HG23 THR 436 HG23 THR 436 -2.884 -6.454 -0.524 60 H GLU 437 HN GLU 437 -2.281 -3.734 2.562 61 HA GLU 437 HA GLU 437 0.392 -3.037 1.545 62 HB2 GLU 437 HB2 GLU 437 1.130 -2.548 3.737 63 HB3 GLU 437 HB1 GLU 437 -0.395 -1.710 3.509 64 HG2 GLU 437 HG2 GLU 437 0.013 -4.265 5.024 65 HG3 GLU 437 HG1 GLU 437 -0.169 -2.668 5.737 66 H TYR 438 HN TYR 438 1.898 -4.507 1.368 67 HA TYR 438 HA TYR 438 1.503 -7.099 2.688 68 HB2 TYR 438 HB2 TYR 438 2.454 -6.581 -0.124 69 HB3 TYR 438 HB1 TYR 438 2.740 -8.100 0.700 70 HD1 TYR 438 HD1 TYR 438 0.271 -8.760 1.984 71 HD2 TYR 438 HD2 TYR 438 0.884 -6.882 -1.784 72 HE1 TYR 438 HE1 TYR 438 -1.890 -9.631 1.203 73 HE2 TYR 438 HE2 TYR 438 -1.281 -7.741 -2.571 74 HH TYR 438 HH TYR 438 -2.839 -9.557 -2.065 75 H LYS 439 HN LYS 439 3.370 -8.167 3.352 76 HA LYS 439 HA LYS 439 5.822 -6.564 3.197 77 HB2 LYS 439 HB2 LYS 439 4.755 -8.141 5.500 78 HB3 LYS 439 HB1 LYS 439 6.487 -7.971 5.282 79 HG2 LYS 439 HG2 LYS 439 6.071 -6.214 6.651 80 HG3 LYS 439 HG1 LYS 439 5.942 -5.460 5.055 81 HD2 LYS 439 HD2 LYS 439 3.555 -5.528 5.140 82 HD3 LYS 439 HD1 LYS 439 3.589 -6.570 6.564 83 HE2 LYS 439 HE2 LYS 439 4.623 -4.727 7.843 84 HE3 LYS 439 HE1 LYS 439 4.464 -3.690 6.426 85 HZ1 LYS 439 HZ1 LYS 439 2.098 -3.853 6.557 86 HZ2 LYS 439 HZ2 LYS 439 2.667 -3.422 8.091 87 HZ3 LYS 439 HZ3 LYS 439 2.178 -5.017 7.784 88 H THR 440 HN THR 440 7.686 -7.517 2.908 89 HA THR 440 HA THR 440 7.710 -10.273 1.916 90 HB THR 440 HB THR 440 10.045 -9.868 1.308 91 HG1 THR 440 HG1 THR 440 11.134 -8.221 2.080 92 HG21 THR 440 HG21 THR 440 8.238 -9.145 -0.246 93 HG22 THR 440 HG22 THR 440 9.735 -8.232 -0.426 94 HG23 THR 440 HG23 THR 440 8.368 -7.522 0.430 95 H ALA 441 HN ALA 441 9.008 -11.883 2.947 96 HA ALA 441 HA ALA 441 9.079 -12.066 5.650 97 HB1 ALA 441 HB1 ALA 441 9.636 -13.894 4.110 98 HB2 ALA 441 HB2 ALA 441 10.813 -13.751 5.415 99 HB3 ALA 441 HB3 ALA 441 11.205 -13.151 3.804 100 H ASP 442 HN ASP 442 11.373 -10.245 3.687 101 HA ASP 442 HA ASP 442 13.158 -9.824 5.929 102 HB2 ASP 442 HB2 ASP 442 14.557 -8.578 4.409 103 HB3 ASP 442 HB1 ASP 442 14.061 -10.077 3.637 104 H GLY 443 HN GLY 443 10.271 -8.482 5.015 105 HA2 GLY 443 HA2 GLY 443 9.141 -7.040 6.492 106 HA3 GLY 443 HA1 GLY 443 10.697 -6.423 7.042 107 H LYS 444 HN LYS 444 9.993 -6.730 3.654 108 HA LYS 444 HA LYS 444 10.114 -3.893 3.256 109 HB2 LYS 444 HB2 LYS 444 9.510 -6.218 1.444 110 HB3 LYS 444 HB1 LYS 444 9.355 -4.557 0.895 111 HG2 LYS 444 HG2 LYS 444 11.679 -4.201 1.587 112 HG3 LYS 444 HG1 LYS 444 11.830 -5.924 1.884 113 HD2 LYS 444 HD2 LYS 444 11.194 -6.327 -0.484 114 HD3 LYS 444 HD1 LYS 444 11.192 -4.583 -0.741 115 HE2 LYS 444 HE2 LYS 444 13.283 -5.478 -1.502 116 HE3 LYS 444 HE1 LYS 444 13.558 -4.505 -0.059 117 HZ1 LYS 444 HZ1 LYS 444 14.816 -6.508 0.091 118 HZ2 LYS 444 HZ2 LYS 444 13.456 -7.466 -0.216 119 HZ3 LYS 444 HZ3 LYS 444 13.568 -6.594 1.237 120 H THR 445 HN THR 445 8.459 -2.684 3.993 121 HA THR 445 HA THR 445 5.753 -3.688 3.600 122 HB THR 445 HB THR 445 6.633 -1.044 4.796 123 HG1 THR 445 HG1 THR 445 7.357 -2.910 5.986 124 HG21 THR 445 HG21 THR 445 4.315 -1.047 4.005 125 HG22 THR 445 HG22 THR 445 4.381 -1.014 5.768 126 HG23 THR 445 HG23 THR 445 3.998 -2.517 4.928 127 H TYR 446 HN TYR 446 5.763 -3.670 1.324 128 HA TYR 446 HA TYR 446 5.617 -0.990 0.129 129 HB2 TYR 446 HB2 TYR 446 5.688 -2.114 -2.049 130 HB3 TYR 446 HB1 TYR 446 7.073 -2.543 -1.061 131 HD1 TYR 446 HD2 TYR 446 6.944 -4.801 0.202 132 HD2 TYR 446 HD1 TYR 446 4.392 -3.770 -3.043 133 HE1 TYR 446 HE2 TYR 446 6.474 -7.174 -0.175 134 HE2 TYR 446 HE1 TYR 446 3.921 -6.152 -3.435 135 HH TYR 446 HH TYR 446 4.930 -8.322 -2.992 136 H TYR 447 HN TYR 447 3.797 -0.344 -1.051 137 HA TYR 447 HA TYR 447 1.386 -1.650 -0.036 138 HB2 TYR 447 HB2 TYR 447 1.744 1.156 -1.108 139 HB3 TYR 447 HB1 TYR 447 0.249 0.489 -0.450 140 HD1 TYR 447 HD1 TYR 447 0.456 -0.541 1.951 141 HD2 TYR 447 HD2 TYR 447 3.157 2.317 0.334 142 HE1 TYR 447 HE1 TYR 447 1.165 0.045 4.227 143 HE2 TYR 447 HE2 TYR 447 3.877 2.927 2.607 144 HH TYR 447 HH TYR 447 3.088 1.067 5.347 145 H TYR 448 HN TYR 448 0.532 -3.002 -1.301 146 HA TYR 448 HA TYR 448 0.395 -2.508 -4.187 147 HB2 TYR 448 HB2 TYR 448 1.525 -4.609 -3.384 148 HB3 TYR 448 HB1 TYR 448 -0.007 -5.103 -2.676 149 HD1 TYR 448 HD2 TYR 448 1.786 -4.495 -5.836 150 HD2 TYR 448 HD1 TYR 448 -1.755 -6.016 -4.035 151 HE1 TYR 448 HE2 TYR 448 1.171 -5.560 -7.961 152 HE2 TYR 448 HE1 TYR 448 -2.379 -7.088 -6.157 153 HH TYR 448 HH TYR 448 -1.951 -6.996 -8.459 154 H ASN 449 HN ASN 449 -1.515 -1.592 -4.699 155 HA ASN 449 HA ASN 449 -3.823 -2.056 -2.987 156 HB2 ASN 449 HB2 ASN 449 -3.551 0.113 -3.207 157 HB3 ASN 449 HB1 ASN 449 -3.101 0.030 -4.898 158 HD21 ASN 449 HD21 ASN 449 -4.994 1.830 -3.727 159 HD22 ASN 449 HD22 ASN 449 -6.528 1.537 -4.449 160 H ASN 450 HN ASN 450 -5.927 -2.560 -3.777 161 HA ASN 450 HA ASN 450 -5.374 -4.831 -5.562 162 HB2 ASN 450 HB2 ASN 450 -6.943 -6.106 -4.128 163 HB3 ASN 450 HB1 ASN 450 -5.516 -5.521 -3.285 164 HD21 ASN 450 HD21 ASN 450 -5.793 -4.075 -1.468 165 HD22 ASN 450 HD22 ASN 450 -7.389 -3.586 -0.973 166 H ARG 451 HN ARG 451 -7.058 -2.031 -5.614 167 HA ARG 451 HA ARG 451 -9.278 -3.233 -7.125 168 HB2 ARG 451 HB2 ARG 451 -10.241 -0.989 -7.241 169 HB3 ARG 451 HB1 ARG 451 -9.909 -1.428 -5.568 170 HG2 ARG 451 HG2 ARG 451 -7.943 -0.036 -5.553 171 HG3 ARG 451 HG1 ARG 451 -8.128 0.302 -7.274 172 HD2 ARG 451 HD2 ARG 451 -10.157 1.038 -5.176 173 HD3 ARG 451 HD1 ARG 451 -8.902 2.127 -5.762 174 HE ARG 451 HE ARG 451 -10.570 1.005 -7.834 175 HH11 ARG 451 HH11 ARG 451 -10.184 3.614 -5.501 176 HH12 ARG 451 HH12 ARG 451 -11.168 4.727 -6.413 177 HH21 ARG 451 HH21 ARG 451 -11.874 2.475 -9.013 178 HH22 ARG 451 HH22 ARG 451 -12.111 4.087 -8.406 179 H THR 452 HN THR 452 -6.311 -1.576 -7.446 180 HA THR 452 HA THR 452 -6.638 -1.416 -10.357 181 HB THR 452 HB THR 452 -5.519 0.772 -8.592 182 HG1 THR 452 HG1 THR 452 -8.045 0.346 -9.785 183 HG21 THR 452 HG21 THR 452 -6.109 0.794 -11.546 184 HG22 THR 452 HG22 THR 452 -4.503 0.686 -10.824 185 HG23 THR 452 HG23 THR 452 -5.480 2.132 -10.582 186 H LEU 453 HN LEU 453 -4.866 -2.325 -7.679 187 HA LEU 453 HA LEU 453 -2.928 -3.273 -7.296 188 HB2 LEU 453 HB2 LEU 453 -1.931 -4.726 -9.088 189 HB3 LEU 453 HB1 LEU 453 -3.556 -5.080 -8.520 190 HG LEU 453 HG LEU 453 -3.293 -3.430 -10.999 191 HD11 LEU 453 HD11 LEU 453 -1.612 -5.177 -11.339 192 HD12 LEU 453 HD12 LEU 453 -3.015 -5.431 -12.377 193 HD13 LEU 453 HD13 LEU 453 -2.804 -6.410 -10.925 194 HD21 LEU 453 HD21 LEU 453 -5.258 -4.735 -11.641 195 HD22 LEU 453 HD22 LEU 453 -5.487 -3.988 -10.061 196 HD23 LEU 453 HD23 LEU 453 -5.103 -5.705 -10.177 197 H TYR 454 HN TYR 454 -1.746 -1.829 -6.665 198 HA TYR 454 HA TYR 454 0.113 -0.419 -8.501 199 HB2 TYR 454 HB2 TYR 454 -0.657 0.277 -5.661 200 HB3 TYR 454 HB1 TYR 454 0.275 1.274 -6.730 201 HD1 TYR 454 HD1 TYR 454 -2.931 -0.162 -6.103 202 HD2 TYR 454 HD2 TYR 454 -0.860 2.861 -8.191 203 HE1 TYR 454 HE1 TYR 454 -5.039 0.865 -6.541 204 HE2 TYR 454 HE2 TYR 454 -3.005 3.970 -8.721 205 HH TYR 454 HH TYR 454 -5.385 3.412 -8.871 206 H SER 455 HN SER 455 2.323 -0.720 -8.100 207 HA SER 455 HA SER 455 2.963 -1.952 -5.507 208 HB2 SER 455 HB2 SER 455 5.163 -2.622 -6.675 209 HB3 SER 455 HB1 SER 455 3.705 -3.558 -7.010 210 HG SER 455 HG SER 455 3.938 -1.459 -8.715 211 H THR 456 HN THR 456 3.152 -0.095 -4.402 212 HA THR 456 HA THR 456 5.311 1.690 -5.283 213 HB THR 456 HB THR 456 3.307 2.960 -5.408 214 HG1 THR 456 HG1 THR 456 3.872 4.086 -3.039 215 HG21 THR 456 HG21 THR 456 1.761 3.244 -3.538 216 HG22 THR 456 HG22 THR 456 2.703 2.099 -2.582 217 HG23 THR 456 HG23 THR 456 1.857 1.552 -4.031 218 H TRP 457 HN TRP 457 7.002 1.709 -4.085 219 HA TRP 457 HA TRP 457 7.063 0.423 -1.517 220 HB2 TRP 457 HB2 TRP 457 9.284 1.882 -2.952 221 HB3 TRP 457 HB1 TRP 457 9.463 0.728 -1.633 222 HD1 TRP 457 HD1 TRP 457 8.894 0.917 -5.391 223 HE1 TRP 457 HE1 TRP 457 9.109 -1.446 -6.398 224 HE3 TRP 457 HE3 TRP 457 9.129 -1.779 -1.059 225 HZ2 TRP 457 HZ2 TRP 457 9.345 -4.106 -5.462 226 HZ3 TRP 457 HZ3 TRP 457 9.329 -4.220 -1.200 227 HH2 TRP 457 HH2 TRP 457 9.444 -5.363 -3.350 228 H GLU 458 HN GLU 458 6.090 3.366 -2.399 229 HA GLU 458 HA GLU 458 6.989 4.558 0.131 230 HB2 GLU 458 HB2 GLU 458 6.709 6.748 -1.029 231 HB3 GLU 458 HB1 GLU 458 8.021 5.767 -1.641 232 HG2 GLU 458 HG2 GLU 458 6.446 5.012 -3.455 233 HG3 GLU 458 HG1 GLU 458 5.344 6.272 -2.902 234 H LYS 459 HN LYS 459 5.470 5.577 1.395 235 HA LYS 459 HA LYS 459 2.793 4.598 1.100 236 HB2 LYS 459 HB2 LYS 459 3.851 4.723 3.300 237 HB3 LYS 459 HB1 LYS 459 4.001 6.470 3.146 238 HG2 LYS 459 HG2 LYS 459 1.464 6.516 2.949 239 HG3 LYS 459 HG1 LYS 459 1.504 4.839 3.496 240 HD2 LYS 459 HD2 LYS 459 2.935 6.953 5.054 241 HD3 LYS 459 HD1 LYS 459 1.189 6.781 5.214 242 HE2 LYS 459 HE2 LYS 459 2.282 5.531 6.959 243 HE3 LYS 459 HE1 LYS 459 1.511 4.417 5.835 244 HZ1 LYS 459 HZ1 LYS 459 3.860 3.899 6.638 245 HZ2 LYS 459 HZ2 LYS 459 4.372 5.108 5.559 246 HZ3 LYS 459 HZ3 LYS 459 3.540 3.746 4.983 247 HA PRO 460 HA PRO 460 1.181 8.278 -0.958 248 HB2 PRO 460 HB2 PRO 460 -1.374 7.347 -1.064 249 HB3 PRO 460 HB1 PRO 460 -0.130 6.867 -2.224 250 HG2 PRO 460 HG2 PRO 460 -1.129 5.414 0.190 251 HG3 PRO 460 HG1 PRO 460 -0.759 4.781 -1.425 252 HD2 PRO 460 HD2 PRO 460 0.939 4.517 0.658 253 HD3 PRO 460 HD1 PRO 460 1.504 4.707 -1.014 254 H GLN 461 HN GLN 461 -0.331 9.932 -0.301 255 HA GLN 461 HA GLN 461 -0.240 10.267 2.549 256 HB2 GLN 461 HB2 GLN 461 -1.663 12.107 0.640 257 HB3 GLN 461 HB1 GLN 461 -0.918 12.499 2.182 258 HG2 GLN 461 HG2 GLN 461 0.594 11.658 -0.281 259 HG3 GLN 461 HG1 GLN 461 0.320 13.325 0.206 260 HE21 GLN 461 HE21 GLN 461 1.051 10.709 2.455 261 HE22 GLN 461 HE22 GLN 461 2.621 11.287 2.889 262 H GLU 462 HN GLU 462 -2.567 9.197 0.271 263 HA GLU 462 HA GLU 462 -4.850 9.676 1.977 264 HB2 GLU 462 HB2 GLU 462 -5.986 8.151 0.209 265 HB3 GLU 462 HB1 GLU 462 -5.488 9.776 -0.247 266 HG2 GLU 462 HG2 GLU 462 -3.714 7.409 -0.753 267 HG3 GLU 462 HG1 GLU 462 -5.020 7.835 -1.857 268 H LEU 463 HN LEU 463 -2.400 7.498 2.127 269 HA LEU 463 HA LEU 463 -4.071 5.259 2.987 270 HB2 LEU 463 HB2 LEU 463 -1.838 5.222 1.546 271 HB3 LEU 463 HB1 LEU 463 -1.089 5.203 3.128 272 HG LEU 463 HG LEU 463 -3.206 3.185 2.476 273 HD11 LEU 463 HD11 LEU 463 -0.299 2.988 1.703 274 HD12 LEU 463 HD12 LEU 463 -1.670 3.085 0.596 275 HD13 LEU 463 HD13 LEU 463 -1.473 1.674 1.635 276 HD21 LEU 463 HD21 LEU 463 -2.394 3.329 4.771 277 HD22 LEU 463 HD22 LEU 463 -0.737 3.119 4.205 278 HD23 LEU 463 HD23 LEU 463 -1.903 1.809 4.022 279 H LYS 464 HN LYS 464 -2.779 8.020 4.267 280 HA LYS 464 HA LYS 464 -2.763 6.854 6.965 281 HB2 LYS 464 HB2 LYS 464 -1.160 8.705 7.585 282 HB3 LYS 464 HB1 LYS 464 -0.502 7.460 6.530 283 HG2 LYS 464 HG2 LYS 464 -0.506 8.870 4.668 284 HG3 LYS 464 HG1 LYS 464 -1.615 10.015 5.427 285 HD2 LYS 464 HD2 LYS 464 1.256 9.503 6.204 286 HD3 LYS 464 HD1 LYS 464 0.626 10.936 5.388 287 HE2 LYS 464 HE2 LYS 464 0.040 10.016 8.197 288 HE3 LYS 464 HE1 LYS 464 0.909 11.465 7.704 289 HZ1 LYS 464 HZ1 LYS 464 -1.130 12.336 6.751 290 HZ2 LYS 464 HZ2 LYS 464 -1.362 11.957 8.388 291 HZ3 LYS 464 HZ3 LYS 464 -1.970 10.926 7.187 Start of MODEL 9 1 H1 GLY 428 HT1 GLY 428 -20.436 10.007 4.489 2 H2 GLY 428 HT2 GLY 428 -18.949 10.662 4.005 3 H3 GLY 428 HT3 GLY 428 -20.160 11.675 4.617 4 HA2 GLY 428 HA1 GLY 428 -18.512 11.356 6.303 5 HA3 GLY 428 HA2 GLY 428 -20.010 10.568 6.774 6 H ALA 429 HN ALA 429 -18.376 8.979 4.251 7 HA ALA 429 HA ALA 429 -17.120 7.134 6.167 8 HB1 ALA 429 HB1 ALA 429 -18.564 6.387 3.624 9 HB2 ALA 429 HB2 ALA 429 -19.146 6.118 5.265 10 HB3 ALA 429 HB3 ALA 429 -17.711 5.271 4.690 11 H THR 430 HN THR 430 -15.076 7.935 5.930 12 HA THR 430 HA THR 430 -13.940 7.837 3.214 13 HB THR 430 HB THR 430 -12.111 9.326 4.280 14 HG1 THR 430 HG1 THR 430 -13.612 8.976 6.406 15 HG21 THR 430 HG21 THR 430 -13.401 11.356 3.794 16 HG22 THR 430 HG22 THR 430 -14.891 10.414 3.825 17 HG23 THR 430 HG23 THR 430 -13.681 10.110 2.578 18 H ALA 431 HN ALA 431 -13.136 5.828 3.056 19 HA ALA 431 HA ALA 431 -10.904 5.138 4.779 20 HB1 ALA 431 HB1 ALA 431 -11.750 2.910 5.295 21 HB2 ALA 431 HB2 ALA 431 -13.258 3.278 4.458 22 HB3 ALA 431 HB3 ALA 431 -12.831 4.151 5.929 23 H VAL 432 HN VAL 432 -9.357 4.818 3.330 24 HA VAL 432 HA VAL 432 -9.973 3.728 0.720 25 HB VAL 432 HB VAL 432 -7.429 3.957 0.401 26 HG11 VAL 432 HG11 VAL 432 -9.056 5.489 -0.571 27 HG12 VAL 432 HG12 VAL 432 -7.627 6.364 -0.024 28 HG13 VAL 432 HG13 VAL 432 -9.106 6.408 0.933 29 HG21 VAL 432 HG21 VAL 432 -7.765 5.558 2.940 30 HG22 VAL 432 HG22 VAL 432 -6.335 5.567 1.908 31 HG23 VAL 432 HG23 VAL 432 -6.803 4.091 2.751 32 H SER 433 HN SER 433 -10.723 1.687 1.571 33 HA SER 433 HA SER 433 -8.727 -0.089 2.707 34 HB2 SER 433 HB2 SER 433 -10.774 -1.697 2.596 35 HB3 SER 433 HB1 SER 433 -10.800 -0.364 3.751 36 HG SER 433 HG SER 433 -12.617 -0.865 1.989 37 H GLU 434 HN GLU 434 -9.259 0.954 -0.266 38 HA GLU 434 HA GLU 434 -9.336 -1.441 -1.798 39 HB2 GLU 434 HB2 GLU 434 -8.572 0.075 -3.658 40 HB3 GLU 434 HB1 GLU 434 -10.050 0.538 -2.863 41 HG2 GLU 434 HG2 GLU 434 -8.941 2.264 -1.634 42 HG3 GLU 434 HG1 GLU 434 -7.379 1.739 -2.261 43 H TRP 435 HN TRP 435 -6.911 0.060 0.005 44 HA TRP 435 HA TRP 435 -4.749 -0.699 -1.784 45 HB2 TRP 435 HB2 TRP 435 -4.946 0.915 0.744 46 HB3 TRP 435 HB1 TRP 435 -3.381 0.349 0.164 47 HD1 TRP 435 HD1 TRP 435 -6.300 2.649 -0.920 48 HE1 TRP 435 HE1 TRP 435 -5.360 4.351 -2.622 49 HE3 TRP 435 HE3 TRP 435 -1.574 0.767 -1.423 50 HZ2 TRP 435 HZ2 TRP 435 -2.918 4.829 -3.979 51 HZ3 TRP 435 HZ3 TRP 435 -0.001 1.897 -2.934 52 HH2 TRP 435 HH2 TRP 435 -0.657 3.881 -4.184 53 H THR 436 HN THR 436 -3.078 -2.157 -1.180 54 HA THR 436 HA THR 436 -3.821 -3.773 1.023 55 HB THR 436 HB THR 436 -3.506 -4.727 -1.735 56 HG1 THR 436 HG1 THR 436 -4.948 -5.514 0.590 57 HG21 THR 436 HG21 THR 436 -2.791 -6.961 -1.027 58 HG22 THR 436 HG22 THR 436 -2.575 -6.376 0.622 59 HG23 THR 436 HG23 THR 436 -1.550 -5.759 -0.674 60 H GLU 437 HN GLU 437 -2.059 -3.966 2.449 61 HA GLU 437 HA GLU 437 0.528 -3.403 1.174 62 HB2 GLU 437 HB2 GLU 437 1.473 -2.962 3.333 63 HB3 GLU 437 HB1 GLU 437 0.032 -1.981 3.102 64 HG2 GLU 437 HG2 GLU 437 -0.014 -4.565 4.551 65 HG3 GLU 437 HG1 GLU 437 0.414 -3.068 5.367 66 H TYR 438 HN TYR 438 2.018 -4.804 0.946 67 HA TYR 438 HA TYR 438 1.650 -7.479 2.087 68 HB2 TYR 438 HB2 TYR 438 2.925 -6.632 -0.513 69 HB3 TYR 438 HB1 TYR 438 3.152 -8.229 0.168 70 HD1 TYR 438 HD1 TYR 438 0.749 -9.349 0.859 71 HD2 TYR 438 HD2 TYR 438 1.414 -6.496 -2.223 72 HE1 TYR 438 HE1 TYR 438 -1.246 -10.169 -0.322 73 HE2 TYR 438 HE2 TYR 438 -0.583 -7.300 -3.409 74 HH TYR 438 HH TYR 438 -1.920 -9.397 -3.528 75 H LYS 439 HN LYS 439 3.507 -8.554 2.862 76 HA LYS 439 HA LYS 439 5.806 -6.773 3.216 77 HB2 LYS 439 HB2 LYS 439 4.485 -8.532 5.208 78 HB3 LYS 439 HB1 LYS 439 6.234 -8.415 5.244 79 HG2 LYS 439 HG2 LYS 439 6.037 -6.580 6.415 80 HG3 LYS 439 HG1 LYS 439 5.423 -5.820 4.946 81 HD2 LYS 439 HD2 LYS 439 3.755 -7.188 7.083 82 HD3 LYS 439 HD1 LYS 439 3.940 -5.446 6.898 83 HE2 LYS 439 HE2 LYS 439 2.791 -5.475 4.810 84 HE3 LYS 439 HE1 LYS 439 2.806 -7.237 4.760 85 HZ1 LYS 439 HZ1 LYS 439 1.318 -5.558 6.716 86 HZ2 LYS 439 HZ2 LYS 439 1.369 -7.252 6.717 87 HZ3 LYS 439 HZ3 LYS 439 0.645 -6.431 5.426 88 H THR 440 HN THR 440 7.739 -7.463 2.972 89 HA THR 440 HA THR 440 8.144 -10.161 1.880 90 HB THR 440 HB THR 440 10.440 -9.521 1.416 91 HG1 THR 440 HG1 THR 440 11.345 -7.851 2.344 92 HG21 THR 440 HG21 THR 440 10.097 -7.841 -0.265 93 HG22 THR 440 HG22 THR 440 8.639 -7.270 0.539 94 HG23 THR 440 HG23 THR 440 8.661 -8.867 -0.207 95 H ALA 441 HN ALA 441 9.623 -11.594 2.883 96 HA ALA 441 HA ALA 441 9.338 -11.765 5.653 97 HB1 ALA 441 HB1 ALA 441 9.829 -13.685 4.218 98 HB2 ALA 441 HB2 ALA 441 10.956 -13.578 5.571 99 HB3 ALA 441 HB3 ALA 441 11.465 -13.074 3.958 100 H ASP 442 HN ASP 442 11.573 -9.818 3.878 101 HA ASP 442 HA ASP 442 13.343 -9.529 6.185 102 HB2 ASP 442 HB2 ASP 442 14.769 -8.184 4.792 103 HB3 ASP 442 HB1 ASP 442 14.324 -9.631 3.898 104 H GLY 443 HN GLY 443 10.436 -8.296 5.308 105 HA2 GLY 443 HA2 GLY 443 9.261 -6.944 6.831 106 HA3 GLY 443 HA1 GLY 443 10.783 -6.249 7.361 107 H LYS 444 HN LYS 444 10.088 -6.543 3.981 108 HA LYS 444 HA LYS 444 9.860 -3.685 3.662 109 HB2 LYS 444 HB2 LYS 444 9.598 -5.983 1.734 110 HB3 LYS 444 HB1 LYS 444 9.349 -4.318 1.270 111 HG2 LYS 444 HG2 LYS 444 11.615 -3.836 2.032 112 HG3 LYS 444 HG1 LYS 444 11.875 -5.555 2.291 113 HD2 LYS 444 HD2 LYS 444 11.239 -5.870 -0.136 114 HD3 LYS 444 HD1 LYS 444 11.320 -4.116 -0.296 115 HE2 LYS 444 HE2 LYS 444 13.401 -4.966 -1.038 116 HE3 LYS 444 HE1 LYS 444 13.678 -4.247 0.548 117 HZ1 LYS 444 HZ1 LYS 444 13.599 -6.448 1.533 118 HZ2 LYS 444 HZ2 LYS 444 14.786 -6.383 0.320 119 HZ3 LYS 444 HZ3 LYS 444 13.301 -7.142 0.015 120 H THR 445 HN THR 445 7.992 -2.755 4.311 121 HA THR 445 HA THR 445 5.512 -4.124 3.569 122 HB THR 445 HB THR 445 5.817 -1.565 5.169 123 HG1 THR 445 HG1 THR 445 6.680 -3.721 6.028 124 HG21 THR 445 HG21 THR 445 3.521 -2.069 5.900 125 HG22 THR 445 HG22 THR 445 3.492 -3.465 4.822 126 HG23 THR 445 HG23 THR 445 3.615 -1.838 4.154 127 H TYR 446 HN TYR 446 5.713 -3.794 1.343 128 HA TYR 446 HA TYR 446 5.455 -1.027 0.412 129 HB2 TYR 446 HB2 TYR 446 5.809 -1.939 -1.845 130 HB3 TYR 446 HB1 TYR 446 7.124 -2.357 -0.759 131 HD1 TYR 446 HD2 TYR 446 7.035 -4.718 0.309 132 HD2 TYR 446 HD1 TYR 446 4.774 -3.585 -3.113 133 HE1 TYR 446 HE2 TYR 446 6.805 -7.082 -0.305 134 HE2 TYR 446 HE1 TYR 446 4.538 -5.946 -3.749 135 HH TYR 446 HH TYR 446 5.641 -8.080 -3.370 136 H TYR 447 HN TYR 447 3.760 -0.444 -1.043 137 HA TYR 447 HA TYR 447 1.330 -1.852 -0.223 138 HB2 TYR 447 HB2 TYR 447 1.664 1.030 -1.077 139 HB3 TYR 447 HB1 TYR 447 0.167 0.277 -0.522 140 HD1 TYR 447 HD1 TYR 447 -0.016 -0.534 1.822 141 HD2 TYR 447 HD2 TYR 447 3.321 1.743 0.491 142 HE1 TYR 447 HE1 TYR 447 0.585 -0.079 4.157 143 HE2 TYR 447 HE2 TYR 447 3.931 2.221 2.821 144 HH TYR 447 HH TYR 447 2.412 0.617 5.491 145 H TYR 448 HN TYR 448 0.671 -3.174 -1.623 146 HA TYR 448 HA TYR 448 0.388 -2.384 -4.436 147 HB2 TYR 448 HB2 TYR 448 1.695 -4.482 -3.918 148 HB3 TYR 448 HB1 TYR 448 0.229 -5.157 -3.224 149 HD1 TYR 448 HD2 TYR 448 -1.734 -5.618 -4.726 150 HD2 TYR 448 HD1 TYR 448 2.075 -4.491 -6.251 151 HE1 TYR 448 HE2 TYR 448 -2.368 -6.481 -6.938 152 HE2 TYR 448 HE1 TYR 448 1.453 -5.356 -8.465 153 HH TYR 448 HH TYR 448 -1.726 -6.149 -9.304 154 H ASN 449 HN ASN 449 -1.606 -1.591 -4.778 155 HA ASN 449 HA ASN 449 -3.780 -2.358 -3.030 156 HB2 ASN 449 HB2 ASN 449 -3.627 -0.171 -3.055 157 HB3 ASN 449 HB1 ASN 449 -3.250 -0.090 -4.767 158 HD21 ASN 449 HD21 ASN 449 -5.170 1.459 -3.296 159 HD22 ASN 449 HD22 ASN 449 -6.710 1.181 -4.019 160 H ASN 450 HN ASN 450 -5.875 -2.896 -3.772 161 HA ASN 450 HA ASN 450 -5.331 -4.985 -5.774 162 HB2 ASN 450 HB2 ASN 450 -6.875 -6.389 -4.438 163 HB3 ASN 450 HB1 ASN 450 -5.455 -5.854 -3.549 164 HD21 ASN 450 HD21 ASN 450 -5.755 -4.588 -1.608 165 HD22 ASN 450 HD22 ASN 450 -7.356 -4.134 -1.096 166 H ARG 451 HN ARG 451 -7.106 -2.264 -5.240 167 HA ARG 451 HA ARG 451 -9.429 -3.066 -6.802 168 HB2 ARG 451 HB2 ARG 451 -9.771 -1.441 -5.020 169 HB3 ARG 451 HB1 ARG 451 -8.533 -0.394 -5.688 170 HG2 ARG 451 HG2 ARG 451 -9.922 -0.081 -7.691 171 HG3 ARG 451 HG1 ARG 451 -11.174 -1.067 -6.943 172 HD2 ARG 451 HD2 ARG 451 -11.291 0.532 -5.079 173 HD3 ARG 451 HD1 ARG 451 -10.083 1.532 -5.887 174 HE ARG 451 HE ARG 451 -12.391 0.950 -7.508 175 HH11 ARG 451 HH11 ARG 451 -11.047 3.128 -5.094 176 HH12 ARG 451 HH12 ARG 451 -12.105 4.436 -5.530 177 HH21 ARG 451 HH21 ARG 451 -13.766 2.686 -8.064 178 HH22 ARG 451 HH22 ARG 451 -13.639 4.191 -7.201 179 H THR 452 HN THR 452 -7.006 -0.518 -7.014 180 HA THR 452 HA THR 452 -7.279 -0.429 -9.918 181 HB THR 452 HB THR 452 -5.484 1.535 -8.847 182 HG1 THR 452 HG1 THR 452 -6.802 2.443 -7.275 183 HG21 THR 452 HG21 THR 452 -7.176 3.078 -9.701 184 HG22 THR 452 HG22 THR 452 -8.331 1.751 -9.828 185 HG23 THR 452 HG23 THR 452 -6.897 1.776 -10.858 186 H LEU 453 HN LEU 453 -5.434 -1.900 -7.660 187 HA LEU 453 HA LEU 453 -3.413 -2.753 -7.430 188 HB2 LEU 453 HB2 LEU 453 -2.489 -3.941 -9.470 189 HB3 LEU 453 HB1 LEU 453 -4.032 -4.443 -8.788 190 HG LEU 453 HG LEU 453 -4.057 -2.518 -11.084 191 HD11 LEU 453 HD11 LEU 453 -3.912 -4.366 -12.679 192 HD12 LEU 453 HD12 LEU 453 -3.542 -5.477 -11.360 193 HD13 LEU 453 HD13 LEU 453 -2.411 -4.188 -11.769 194 HD21 LEU 453 HD21 LEU 453 -6.144 -3.180 -10.012 195 HD22 LEU 453 HD22 LEU 453 -5.761 -4.879 -10.288 196 HD23 LEU 453 HD23 LEU 453 -6.065 -3.810 -11.658 197 H TYR 454 HN TYR 454 -2.003 -1.586 -6.734 198 HA TYR 454 HA TYR 454 -0.327 0.127 -8.494 199 HB2 TYR 454 HB2 TYR 454 -0.853 0.456 -5.540 200 HB3 TYR 454 HB1 TYR 454 0.016 1.570 -6.536 201 HD1 TYR 454 HD2 TYR 454 -3.138 0.104 -5.837 202 HD2 TYR 454 HD1 TYR 454 -1.213 3.407 -7.603 203 HE1 TYR 454 HE2 TYR 454 -5.242 1.207 -5.840 204 HE2 TYR 454 HE1 TYR 454 -3.361 4.629 -7.662 205 HH TYR 454 HH TYR 454 -6.105 3.577 -5.916 206 H SER 455 HN SER 455 1.950 -0.103 -8.159 207 HA SER 455 HA SER 455 2.673 -1.544 -5.704 208 HB2 SER 455 HB2 SER 455 4.845 -2.134 -6.885 209 HB3 SER 455 HB1 SER 455 3.399 -3.006 -7.420 210 HG SER 455 HG SER 455 4.893 -1.019 -8.736 211 H THR 456 HN THR 456 3.118 0.070 -4.341 212 HA THR 456 HA THR 456 5.251 1.884 -5.205 213 HB THR 456 HB THR 456 3.273 3.249 -5.161 214 HG1 THR 456 HG1 THR 456 3.942 4.572 -3.141 215 HG21 THR 456 HG21 THR 456 1.916 3.550 -3.141 216 HG22 THR 456 HG22 THR 456 2.850 2.295 -2.325 217 HG23 THR 456 HG23 THR 456 1.851 1.885 -3.720 218 H TRP 457 HN TRP 457 6.957 1.879 -3.996 219 HA TRP 457 HA TRP 457 7.071 0.293 -1.597 220 HB2 TRP 457 HB2 TRP 457 9.186 1.921 -3.008 221 HB3 TRP 457 HB1 TRP 457 9.489 0.868 -1.630 222 HD1 TRP 457 HD1 TRP 457 8.993 0.799 -5.377 223 HE1 TRP 457 HE1 TRP 457 9.328 -1.607 -6.241 224 HE3 TRP 457 HE3 TRP 457 9.149 -1.637 -0.892 225 HZ2 TRP 457 HZ2 TRP 457 9.628 -4.202 -5.138 226 HZ3 TRP 457 HZ3 TRP 457 9.452 -4.075 -0.880 227 HH2 TRP 457 HH2 TRP 457 9.693 -5.331 -2.949 228 H GLU 458 HN GLU 458 6.041 3.318 -2.102 229 HA GLU 458 HA GLU 458 6.937 4.137 0.567 230 HB2 GLU 458 HB2 GLU 458 6.581 6.458 -0.159 231 HB3 GLU 458 HB1 GLU 458 7.836 5.648 -1.065 232 HG2 GLU 458 HG2 GLU 458 6.759 6.734 -2.744 233 HG3 GLU 458 HG1 GLU 458 5.887 5.203 -2.757 234 H LYS 459 HN LYS 459 5.419 5.199 1.894 235 HA LYS 459 HA LYS 459 2.901 3.947 1.954 236 HB2 LYS 459 HB2 LYS 459 4.192 4.950 3.895 237 HB3 LYS 459 HB1 LYS 459 3.632 6.524 3.350 238 HG2 LYS 459 HG2 LYS 459 1.319 5.828 3.685 239 HG3 LYS 459 HG1 LYS 459 1.873 4.238 4.211 240 HD2 LYS 459 HD2 LYS 459 2.464 6.873 5.556 241 HD3 LYS 459 HD1 LYS 459 1.351 5.632 6.134 242 HE2 LYS 459 HE2 LYS 459 4.325 5.278 5.767 243 HE3 LYS 459 HE1 LYS 459 3.519 5.583 7.303 244 HZ1 LYS 459 HZ1 LYS 459 2.352 3.503 7.100 245 HZ2 LYS 459 HZ2 LYS 459 4.019 3.228 6.953 246 HZ3 LYS 459 HZ3 LYS 459 3.032 3.212 5.576 247 HA PRO 460 HA PRO 460 0.719 6.064 -1.253 248 HB2 PRO 460 HB2 PRO 460 -1.597 5.634 0.570 249 HB3 PRO 460 HB1 PRO 460 -1.418 5.228 -1.139 250 HG2 PRO 460 HG2 PRO 460 -1.271 3.364 0.767 251 HG3 PRO 460 HG1 PRO 460 -0.285 3.277 -0.695 252 HD2 PRO 460 HD2 PRO 460 0.500 3.963 2.078 253 HD3 PRO 460 HD1 PRO 460 1.460 3.231 0.779 254 H GLN 461 HN GLN 461 -0.025 8.084 -1.677 255 HA GLN 461 HA GLN 461 0.367 10.193 0.101 256 HB2 GLN 461 HB2 GLN 461 -1.469 10.126 -2.304 257 HB3 GLN 461 HB1 GLN 461 -0.837 11.574 -1.533 258 HG2 GLN 461 HG2 GLN 461 0.856 9.466 -2.850 259 HG3 GLN 461 HG1 GLN 461 0.325 10.958 -3.623 260 HE21 GLN 461 HE21 GLN 461 3.020 9.958 -3.006 261 HE22 GLN 461 HE22 GLN 461 3.773 11.200 -2.058 262 H GLU 462 HN GLU 462 -2.322 8.084 -0.323 263 HA GLU 462 HA GLU 462 -4.103 9.796 1.223 264 HB2 GLU 462 HB2 GLU 462 -5.735 7.838 0.767 265 HB3 GLU 462 HB1 GLU 462 -5.293 8.905 -0.555 266 HG2 GLU 462 HG2 GLU 462 -3.836 6.333 -0.094 267 HG3 GLU 462 HG1 GLU 462 -5.362 6.373 -0.969 268 H LEU 463 HN LEU 463 -1.767 7.571 1.956 269 HA LEU 463 HA LEU 463 -3.195 6.752 4.405 270 HB2 LEU 463 HB2 LEU 463 -1.191 5.298 2.733 271 HB3 LEU 463 HB1 LEU 463 -1.250 4.980 4.454 272 HG LEU 463 HG LEU 463 -3.712 4.430 4.140 273 HD11 LEU 463 HD11 LEU 463 -4.367 3.721 1.880 274 HD12 LEU 463 HD12 LEU 463 -2.892 4.457 1.252 275 HD13 LEU 463 HD13 LEU 463 -4.120 5.460 2.025 276 HD21 LEU 463 HD21 LEU 463 -1.644 2.721 2.779 277 HD22 LEU 463 HD22 LEU 463 -3.232 2.175 3.311 278 HD23 LEU 463 HD23 LEU 463 -2.042 2.718 4.494 279 H LYS 464 HN LYS 464 -0.783 8.750 3.250 280 HA LYS 464 HA LYS 464 1.195 8.526 5.258 281 HB2 LYS 464 HB2 LYS 464 0.429 10.928 3.585 282 HB3 LYS 464 HB1 LYS 464 1.881 10.810 4.566 283 HG2 LYS 464 HG2 LYS 464 2.630 8.918 3.164 284 HG3 LYS 464 HG1 LYS 464 1.200 9.142 2.153 285 HD2 LYS 464 HD2 LYS 464 1.938 11.483 1.739 286 HD3 LYS 464 HD1 LYS 464 3.427 11.124 2.612 287 HE2 LYS 464 HE2 LYS 464 2.466 9.682 0.149 288 HE3 LYS 464 HE1 LYS 464 3.668 10.967 0.157 289 HZ1 LYS 464 HZ1 LYS 464 3.943 8.363 1.551 290 HZ2 LYS 464 HZ2 LYS 464 5.121 9.581 1.471 291 HZ3 LYS 464 HZ3 LYS 464 4.654 8.751 0.063 Start of MODEL 10 1 H1 GLY 428 HT1 GLY 428 -6.669 7.746 6.436 2 H2 GLY 428 HT2 GLY 428 -5.307 8.581 5.880 3 H3 GLY 428 HT3 GLY 428 -6.077 7.448 4.877 4 HA2 GLY 428 HA1 GLY 428 -7.144 10.056 5.772 5 HA3 GLY 428 HA2 GLY 428 -6.690 9.610 4.132 6 H ALA 429 HN ALA 429 -9.240 10.541 5.288 7 HA ALA 429 HA ALA 429 -11.471 10.120 5.266 8 HB1 ALA 429 HB1 ALA 429 -10.705 8.403 2.909 9 HB2 ALA 429 HB2 ALA 429 -10.988 10.143 2.869 10 HB3 ALA 429 HB3 ALA 429 -12.312 9.042 3.251 11 H THR 430 HN THR 430 -11.032 8.938 7.329 12 HA THR 430 HA THR 430 -11.597 7.289 8.780 13 HB THR 430 HB THR 430 -12.866 5.873 6.424 14 HG1 THR 430 HG1 THR 430 -14.220 7.489 6.525 15 HG21 THR 430 HG21 THR 430 -13.342 5.606 9.396 16 HG22 THR 430 HG22 THR 430 -12.502 4.434 8.380 17 HG23 THR 430 HG23 THR 430 -14.219 4.752 8.126 18 H ALA 431 HN ALA 431 -10.946 5.517 5.770 19 HA ALA 431 HA ALA 431 -8.433 4.531 6.277 20 HB1 ALA 431 HB1 ALA 431 -8.827 2.271 7.131 21 HB2 ALA 431 HB2 ALA 431 -10.548 2.622 7.291 22 HB3 ALA 431 HB3 ALA 431 -9.377 3.476 8.296 23 H VAL 432 HN VAL 432 -8.126 4.461 4.100 24 HA VAL 432 HA VAL 432 -10.113 3.326 2.359 25 HB VAL 432 HB VAL 432 -8.428 3.674 0.543 26 HG11 VAL 432 HG11 VAL 432 -8.984 6.065 2.293 27 HG12 VAL 432 HG12 VAL 432 -10.077 5.382 1.089 28 HG13 VAL 432 HG13 VAL 432 -8.555 6.116 0.583 29 HG21 VAL 432 HG21 VAL 432 -6.388 3.424 1.834 30 HG22 VAL 432 HG22 VAL 432 -6.782 4.866 2.773 31 HG23 VAL 432 HG23 VAL 432 -6.427 5.006 1.049 32 H SER 433 HN SER 433 -10.399 1.256 2.142 33 HA SER 433 HA SER 433 -8.335 -0.618 2.950 34 HB2 SER 433 HB2 SER 433 -10.672 -0.829 3.774 35 HB3 SER 433 HB1 SER 433 -11.208 -1.080 2.117 36 HG SER 433 HG SER 433 -9.187 -2.747 3.132 37 H GLU 434 HN GLU 434 -8.981 0.961 0.200 38 HA GLU 434 HA GLU 434 -9.055 -1.123 -1.726 39 HB2 GLU 434 HB2 GLU 434 -8.499 0.660 -3.352 40 HB3 GLU 434 HB1 GLU 434 -9.857 1.037 -2.330 41 HG2 GLU 434 HG2 GLU 434 -8.594 2.567 -1.037 42 HG3 GLU 434 HG1 GLU 434 -7.099 2.068 -1.836 43 H TRP 435 HN TRP 435 -6.563 0.367 0.069 44 HA TRP 435 HA TRP 435 -4.485 -0.450 -1.787 45 HB2 TRP 435 HB2 TRP 435 -4.534 1.119 0.783 46 HB3 TRP 435 HB1 TRP 435 -3.019 0.500 0.133 47 HD1 TRP 435 HD1 TRP 435 -5.848 2.965 -0.754 48 HE1 TRP 435 HE1 TRP 435 -4.909 4.657 -2.474 49 HE3 TRP 435 HE3 TRP 435 -1.266 0.866 -1.522 50 HZ2 TRP 435 HZ2 TRP 435 -2.508 5.031 -3.951 51 HZ3 TRP 435 HZ3 TRP 435 0.295 1.928 -3.089 52 HH2 TRP 435 HH2 TRP 435 -0.309 3.964 -4.275 53 H THR 436 HN THR 436 -3.021 -2.117 -1.353 54 HA THR 436 HA THR 436 -3.919 -3.693 0.822 55 HB THR 436 HB THR 436 -3.553 -4.621 -1.926 56 HG1 THR 436 HG1 THR 436 -5.262 -4.866 0.234 57 HG21 THR 436 HG21 THR 436 -3.031 -6.911 -1.255 58 HG22 THR 436 HG22 THR 436 -2.875 -6.400 0.425 59 HG23 THR 436 HG23 THR 436 -1.721 -5.829 -0.779 60 H GLU 437 HN GLU 437 -2.288 -3.910 2.364 61 HA GLU 437 HA GLU 437 0.378 -3.200 1.431 62 HB2 GLU 437 HB2 GLU 437 0.998 -2.918 3.740 63 HB3 GLU 437 HB1 GLU 437 -0.520 -2.082 3.451 64 HG2 GLU 437 HG2 GLU 437 -0.414 -4.833 4.573 65 HG3 GLU 437 HG1 GLU 437 -0.259 -3.417 5.602 66 H TYR 438 HN TYR 438 2.001 -4.532 1.236 67 HA TYR 438 HA TYR 438 1.732 -7.286 2.233 68 HB2 TYR 438 HB2 TYR 438 2.949 -6.269 -0.323 69 HB3 TYR 438 HB1 TYR 438 3.380 -7.832 0.336 70 HD1 TYR 438 HD1 TYR 438 1.412 -9.457 0.799 71 HD2 TYR 438 HD2 TYR 438 1.153 -6.108 -1.807 72 HE1 TYR 438 HE1 TYR 438 -0.476 -10.516 -0.358 73 HE2 TYR 438 HE2 TYR 438 -0.746 -7.158 -2.972 74 HH TYR 438 HH TYR 438 -2.341 -9.962 -1.730 75 H LYS 439 HN LYS 439 3.563 -8.255 3.016 76 HA LYS 439 HA LYS 439 5.948 -6.583 3.321 77 HB2 LYS 439 HB2 LYS 439 4.878 -6.443 5.460 78 HB3 LYS 439 HB1 LYS 439 4.563 -8.144 5.495 79 HG2 LYS 439 HG2 LYS 439 6.796 -8.638 6.001 80 HG3 LYS 439 HG1 LYS 439 7.335 -7.023 5.522 81 HD2 LYS 439 HD2 LYS 439 6.182 -6.028 7.395 82 HD3 LYS 439 HD1 LYS 439 5.474 -7.581 7.832 83 HE2 LYS 439 HE2 LYS 439 8.445 -7.221 7.734 84 HE3 LYS 439 HE1 LYS 439 7.523 -6.713 9.147 85 HZ1 LYS 439 HZ1 LYS 439 7.516 -9.458 8.006 86 HZ2 LYS 439 HZ2 LYS 439 6.715 -8.955 9.412 87 HZ3 LYS 439 HZ3 LYS 439 8.412 -8.965 9.358 88 H THR 440 HN THR 440 7.689 -7.590 2.607 89 HA THR 440 HA THR 440 7.644 -10.506 2.433 90 HB THR 440 HB THR 440 10.031 -10.125 1.531 91 HG1 THR 440 HG1 THR 440 10.642 -8.119 1.823 92 HG21 THR 440 HG21 THR 440 8.343 -10.749 -0.011 93 HG22 THR 440 HG22 THR 440 9.156 -9.351 -0.720 94 HG23 THR 440 HG23 THR 440 7.587 -9.162 0.061 95 H ALA 441 HN ALA 441 9.210 -11.694 3.706 96 HA ALA 441 HA ALA 441 8.840 -10.702 6.324 97 HB1 ALA 441 HB1 ALA 441 8.709 -13.087 5.761 98 HB2 ALA 441 HB2 ALA 441 9.834 -12.794 7.087 99 HB3 ALA 441 HB3 ALA 441 10.447 -13.119 5.467 100 H ASP 442 HN ASP 442 11.324 -9.930 4.224 101 HA ASP 442 HA ASP 442 13.326 -9.478 6.263 102 HB2 ASP 442 HB2 ASP 442 14.607 -8.393 4.543 103 HB3 ASP 442 HB1 ASP 442 13.887 -9.833 3.832 104 H GLY 443 HN GLY 443 10.419 -8.207 5.522 105 HA2 GLY 443 HA2 GLY 443 9.322 -6.692 6.918 106 HA3 GLY 443 HA1 GLY 443 10.870 -5.976 7.321 107 H LYS 444 HN LYS 444 10.134 -6.602 4.024 108 HA LYS 444 HA LYS 444 10.004 -3.776 3.482 109 HB2 LYS 444 HB2 LYS 444 10.040 -6.232 1.772 110 HB3 LYS 444 HB1 LYS 444 9.576 -4.673 1.088 111 HG2 LYS 444 HG2 LYS 444 11.690 -3.820 2.169 112 HG3 LYS 444 HG1 LYS 444 12.175 -5.506 2.278 113 HD2 LYS 444 HD2 LYS 444 11.310 -4.167 -0.276 114 HD3 LYS 444 HD1 LYS 444 12.985 -4.297 0.242 115 HE2 LYS 444 HE2 LYS 444 11.157 -6.665 -0.131 116 HE3 LYS 444 HE1 LYS 444 12.232 -6.056 -1.390 117 HZ1 LYS 444 HZ1 LYS 444 14.120 -6.537 -0.025 118 HZ2 LYS 444 HZ2 LYS 444 13.161 -7.934 -0.105 119 HZ3 LYS 444 HZ3 LYS 444 13.136 -6.966 1.291 120 H THR 445 HN THR 445 8.212 -2.760 3.908 121 HA THR 445 HA THR 445 5.673 -4.147 3.370 122 HB THR 445 HB THR 445 6.000 -1.475 4.750 123 HG1 THR 445 HG1 THR 445 6.966 -3.703 5.641 124 HG21 THR 445 HG21 THR 445 3.818 -2.047 5.717 125 HG22 THR 445 HG22 THR 445 3.811 -3.559 4.810 126 HG23 THR 445 HG23 THR 445 3.747 -2.017 3.956 127 H TYR 446 HN TYR 446 5.830 -3.958 1.140 128 HA TYR 446 HA TYR 446 5.511 -1.267 0.030 129 HB2 TYR 446 HB2 TYR 446 5.747 -2.396 -2.176 130 HB3 TYR 446 HB1 TYR 446 7.139 -2.610 -1.131 131 HD1 TYR 446 HD1 TYR 446 7.117 -4.849 0.282 132 HD2 TYR 446 HD2 TYR 446 4.893 -4.210 -3.287 133 HE1 TYR 446 HE1 TYR 446 7.000 -7.278 -0.059 134 HE2 TYR 446 HE2 TYR 446 4.761 -6.630 -3.651 135 HH TYR 446 HH TYR 446 6.054 -8.661 -2.998 136 H TYR 447 HN TYR 447 3.711 -0.665 -1.157 137 HA TYR 447 HA TYR 447 1.329 -2.151 -0.352 138 HB2 TYR 447 HB2 TYR 447 1.606 0.721 -1.264 139 HB3 TYR 447 HB1 TYR 447 0.113 -0.056 -0.743 140 HD1 TYR 447 HD1 TYR 447 0.004 -0.989 1.622 141 HD2 TYR 447 HD2 TYR 447 3.039 1.701 0.331 142 HE1 TYR 447 HE1 TYR 447 0.488 -0.432 3.962 143 HE2 TYR 447 HE2 TYR 447 3.535 2.274 2.668 144 HH TYR 447 HH TYR 447 2.177 0.492 5.329 145 H TYR 448 HN TYR 448 0.538 -3.447 -1.751 146 HA TYR 448 HA TYR 448 0.347 -2.655 -4.568 147 HB2 TYR 448 HB2 TYR 448 1.427 -4.850 -4.137 148 HB3 TYR 448 HB1 TYR 448 -0.023 -5.386 -3.303 149 HD1 TYR 448 HD2 TYR 448 -2.053 -5.931 -4.563 150 HD2 TYR 448 HD1 TYR 448 1.510 -4.719 -6.545 151 HE1 TYR 448 HE2 TYR 448 -2.955 -6.775 -6.688 152 HE2 TYR 448 HE1 TYR 448 0.620 -5.562 -8.675 153 HH TYR 448 HH TYR 448 -2.649 -6.468 -9.081 154 H ASN 449 HN ASN 449 -1.531 -1.612 -4.904 155 HA ASN 449 HA ASN 449 -3.810 -2.172 -3.180 156 HB2 ASN 449 HB2 ASN 449 -3.417 0.003 -3.141 157 HB3 ASN 449 HB1 ASN 449 -3.042 0.099 -4.849 158 HD21 ASN 449 HD21 ASN 449 -4.847 1.744 -3.238 159 HD22 ASN 449 HD22 ASN 449 -6.398 1.662 -3.991 160 H ASN 450 HN ASN 450 -5.968 -2.446 -3.975 161 HA ASN 450 HA ASN 450 -5.552 -4.516 -6.015 162 HB2 ASN 450 HB2 ASN 450 -7.254 -5.819 -4.735 163 HB3 ASN 450 HB1 ASN 450 -5.751 -5.492 -3.882 164 HD21 ASN 450 HD21 ASN 450 -5.832 -4.273 -1.884 165 HD22 ASN 450 HD22 ASN 450 -7.359 -3.717 -1.267 166 H ARG 451 HN ARG 451 -7.185 -1.653 -5.625 167 HA ARG 451 HA ARG 451 -9.338 -2.570 -7.412 168 HB2 ARG 451 HB2 ARG 451 -10.400 -0.387 -7.043 169 HB3 ARG 451 HB1 ARG 451 -10.151 -1.257 -5.537 170 HG2 ARG 451 HG2 ARG 451 -8.408 0.157 -4.876 171 HG3 ARG 451 HG1 ARG 451 -8.215 0.816 -6.501 172 HD2 ARG 451 HD2 ARG 451 -10.706 1.175 -4.846 173 HD3 ARG 451 HD1 ARG 451 -9.366 2.319 -4.849 174 HE ARG 451 HE ARG 451 -10.759 1.631 -7.346 175 HH11 ARG 451 HH11 ARG 451 -9.713 3.993 -4.965 176 HH12 ARG 451 HH12 ARG 451 -10.177 5.352 -5.943 177 HH21 ARG 451 HH21 ARG 451 -11.325 3.419 -8.643 178 HH22 ARG 451 HH22 ARG 451 -11.104 5.035 -8.020 179 H THR 452 HN THR 452 -6.490 -0.625 -7.247 180 HA THR 452 HA THR 452 -6.826 0.038 -10.100 181 HB THR 452 HB THR 452 -5.176 1.671 -8.181 182 HG1 THR 452 HG1 THR 452 -6.923 2.783 -7.582 183 HG21 THR 452 HG21 THR 452 -4.781 2.025 -10.566 184 HG22 THR 452 HG22 THR 452 -5.534 3.438 -9.830 185 HG23 THR 452 HG23 THR 452 -6.500 2.335 -10.810 186 H LEU 453 HN LEU 453 -5.144 -1.646 -7.814 187 HA LEU 453 HA LEU 453 -3.242 -2.735 -7.641 188 HB2 LEU 453 HB2 LEU 453 -2.431 -3.915 -9.732 189 HB3 LEU 453 HB1 LEU 453 -4.023 -4.280 -9.079 190 HG LEU 453 HG LEU 453 -3.826 -2.265 -11.286 191 HD11 LEU 453 HD11 LEU 453 -2.378 -4.072 -12.057 192 HD12 LEU 453 HD12 LEU 453 -3.890 -4.047 -12.962 193 HD13 LEU 453 HD13 LEU 453 -3.641 -5.250 -11.698 194 HD21 LEU 453 HD21 LEU 453 -5.970 -2.775 -10.188 195 HD22 LEU 453 HD22 LEU 453 -5.793 -4.467 -10.651 196 HD23 LEU 453 HD23 LEU 453 -5.977 -3.229 -11.893 197 H TYR 454 HN TYR 454 -1.854 -1.567 -6.850 198 HA TYR 454 HA TYR 454 0.065 -0.057 -8.539 199 HB2 TYR 454 HB2 TYR 454 -0.512 0.248 -5.587 200 HB3 TYR 454 HB1 TYR 454 0.484 1.298 -6.534 201 HD1 TYR 454 HD2 TYR 454 -2.844 0.121 -6.013 202 HD2 TYR 454 HD1 TYR 454 -0.502 3.256 -7.567 203 HE1 TYR 454 HE2 TYR 454 -4.828 1.434 -6.118 204 HE2 TYR 454 HE1 TYR 454 -2.505 4.681 -7.735 205 HH TYR 454 HH TYR 454 -4.849 4.572 -7.780 206 H SER 455 HN SER 455 2.277 -0.606 -8.217 207 HA SER 455 HA SER 455 2.783 -2.075 -5.727 208 HB2 SER 455 HB2 SER 455 4.965 -2.795 -6.773 209 HB3 SER 455 HB1 SER 455 3.513 -3.504 -7.468 210 HG SER 455 HG SER 455 4.880 -1.252 -8.523 211 H THR 456 HN THR 456 2.953 -0.393 -4.447 212 HA THR 456 HA THR 456 4.815 1.772 -5.185 213 HB THR 456 HB THR 456 2.505 2.052 -3.260 214 HG1 THR 456 HG1 THR 456 2.186 3.046 -5.830 215 HG21 THR 456 HG21 THR 456 4.175 3.832 -3.193 216 HG22 THR 456 HG22 THR 456 2.675 4.427 -3.904 217 HG23 THR 456 HG23 THR 456 4.045 4.037 -4.942 218 H TRP 457 HN TRP 457 6.652 1.532 -4.094 219 HA TRP 457 HA TRP 457 6.788 0.129 -1.599 220 HB2 TRP 457 HB2 TRP 457 8.901 1.662 -3.119 221 HB3 TRP 457 HB1 TRP 457 9.213 0.665 -1.703 222 HD1 TRP 457 HD1 TRP 457 8.311 0.377 -5.425 223 HE1 TRP 457 HE1 TRP 457 8.777 -2.040 -6.198 224 HE3 TRP 457 HE3 TRP 457 9.388 -1.726 -0.892 225 HZ2 TRP 457 HZ2 TRP 457 9.504 -4.495 -5.038 226 HZ3 TRP 457 HZ3 TRP 457 9.956 -4.116 -0.815 227 HH2 TRP 457 HH2 TRP 457 10.014 -5.471 -2.844 228 H GLU 458 HN GLU 458 5.754 3.122 -2.208 229 HA GLU 458 HA GLU 458 6.798 4.143 0.339 230 HB2 GLU 458 HB2 GLU 458 6.635 6.387 -0.573 231 HB3 GLU 458 HB1 GLU 458 7.703 5.407 -1.552 232 HG2 GLU 458 HG2 GLU 458 6.010 5.144 -3.228 233 HG3 GLU 458 HG1 GLU 458 4.833 5.988 -2.224 234 H LYS 459 HN LYS 459 5.329 5.385 1.602 235 HA LYS 459 HA LYS 459 2.655 4.362 1.480 236 HB2 LYS 459 HB2 LYS 459 4.063 4.899 3.576 237 HB3 LYS 459 HB1 LYS 459 3.584 6.569 3.302 238 HG2 LYS 459 HG2 LYS 459 1.212 5.853 3.421 239 HG3 LYS 459 HG1 LYS 459 1.764 4.230 3.835 240 HD2 LYS 459 HD2 LYS 459 2.213 6.760 5.417 241 HD3 LYS 459 HD1 LYS 459 1.174 5.406 5.857 242 HE2 LYS 459 HE2 LYS 459 4.175 5.300 5.561 243 HE3 LYS 459 HE1 LYS 459 3.301 5.384 7.087 244 HZ1 LYS 459 HZ1 LYS 459 3.947 3.131 6.616 245 HZ2 LYS 459 HZ2 LYS 459 3.171 3.168 5.112 246 HZ3 LYS 459 HZ3 LYS 459 2.262 3.256 6.534 247 HA PRO 460 HA PRO 460 1.190 7.678 -1.163 248 HB2 PRO 460 HB2 PRO 460 -1.424 6.888 -1.101 249 HB3 PRO 460 HB1 PRO 460 -0.206 6.145 -2.144 250 HG2 PRO 460 HG2 PRO 460 -1.272 5.216 0.494 251 HG3 PRO 460 HG1 PRO 460 -0.930 4.277 -0.973 252 HD2 PRO 460 HD2 PRO 460 0.748 4.314 1.133 253 HD3 PRO 460 HD1 PRO 460 1.338 4.198 -0.538 254 H GLN 461 HN GLN 461 0.058 9.592 -0.884 255 HA GLN 461 HA GLN 461 -0.127 10.535 1.784 256 HB2 GLN 461 HB2 GLN 461 -1.096 11.777 -0.795 257 HB3 GLN 461 HB1 GLN 461 -1.024 12.608 0.752 258 HG2 GLN 461 HG2 GLN 461 1.326 11.475 -0.748 259 HG3 GLN 461 HG1 GLN 461 0.871 13.176 -0.667 260 HE21 GLN 461 HE21 GLN 461 1.212 14.326 1.232 261 HE22 GLN 461 HE22 GLN 461 2.235 13.729 2.496 262 H GLU 462 HN GLU 462 -2.424 9.112 -0.385 263 HA GLU 462 HA GLU 462 -4.748 10.034 1.037 264 HB2 GLU 462 HB2 GLU 462 -5.962 8.357 -0.377 265 HB3 GLU 462 HB1 GLU 462 -5.051 9.553 -1.284 266 HG2 GLU 462 HG2 GLU 462 -3.759 6.943 -0.675 267 HG3 GLU 462 HG1 GLU 462 -5.014 6.996 -1.910 268 H LEU 463 HN LEU 463 -2.423 7.700 1.627 269 HA LEU 463 HA LEU 463 -4.241 5.952 3.107 270 HB2 LEU 463 HB2 LEU 463 -2.289 5.191 1.554 271 HB3 LEU 463 HB1 LEU 463 -1.272 5.585 2.926 272 HG LEU 463 HG LEU 463 -2.793 3.999 4.260 273 HD11 LEU 463 HD11 LEU 463 -4.592 3.810 2.668 274 HD12 LEU 463 HD12 LEU 463 -3.848 2.234 2.937 275 HD13 LEU 463 HD13 LEU 463 -3.490 3.138 1.466 276 HD21 LEU 463 HD21 LEU 463 -1.481 2.057 3.565 277 HD22 LEU 463 HD22 LEU 463 -0.479 3.503 3.688 278 HD23 LEU 463 HD23 LEU 463 -0.988 2.917 2.105 279 H LYS 464 HN LYS 464 -2.490 8.717 3.573 280 HA LYS 464 HA LYS 464 -1.779 8.150 6.350 281 HB2 LYS 464 HB2 LYS 464 -1.246 10.571 4.613 282 HB3 LYS 464 HB1 LYS 464 -0.708 10.392 6.278 283 HG2 LYS 464 HG2 LYS 464 0.671 8.489 5.644 284 HG3 LYS 464 HG1 LYS 464 0.105 8.625 3.978 285 HD2 LYS 464 HD2 LYS 464 2.257 9.651 4.101 286 HD3 LYS 464 HD1 LYS 464 1.062 10.934 3.923 287 HE2 LYS 464 HE2 LYS 464 2.121 10.087 6.605 288 HE3 LYS 464 HE1 LYS 464 2.946 11.285 5.613 289 HZ1 LYS 464 HZ1 LYS 464 0.151 11.500 6.596 290 HZ2 LYS 464 HZ2 LYS 464 0.968 12.658 5.671 291 HZ3 LYS 464 HZ3 LYS 464 1.485 12.314 7.245 Start of MODEL 11 1 H1 GLY 428 HT1 GLY 428 -3.863 -0.492 5.694 2 H2 GLY 428 HT2 GLY 428 -2.989 -1.758 6.396 3 H3 GLY 428 HT3 GLY 428 -3.870 -0.681 7.375 4 HA2 GLY 428 HA1 GLY 428 -4.959 -2.675 5.474 5 HA3 GLY 428 HA2 GLY 428 -5.102 -2.694 7.227 6 H ALA 429 HN ALA 429 -7.398 -2.778 6.967 7 HA ALA 429 HA ALA 429 -8.681 -0.529 5.649 8 HB1 ALA 429 HB1 ALA 429 -9.565 -2.774 5.284 9 HB2 ALA 429 HB2 ALA 429 -10.763 -1.724 6.040 10 HB3 ALA 429 HB3 ALA 429 -9.905 -2.922 7.008 11 H THR 430 HN THR 430 -7.672 0.929 7.297 12 HA THR 430 HA THR 430 -8.954 1.019 9.883 13 HB THR 430 HB THR 430 -7.329 3.199 8.551 14 HG1 THR 430 HG1 THR 430 -6.144 1.465 10.405 15 HG21 THR 430 HG21 THR 430 -8.568 3.878 10.562 16 HG22 THR 430 HG22 THR 430 -6.828 3.874 10.850 17 HG23 THR 430 HG23 THR 430 -7.827 2.555 11.464 18 H ALA 431 HN ALA 431 -9.192 2.639 6.791 19 HA ALA 431 HA ALA 431 -11.912 3.456 7.370 20 HB1 ALA 431 HB1 ALA 431 -9.824 5.479 6.542 21 HB2 ALA 431 HB2 ALA 431 -10.605 5.397 8.121 22 HB3 ALA 431 HB3 ALA 431 -11.557 5.778 6.687 23 H VAL 432 HN VAL 432 -9.223 3.774 5.082 24 HA VAL 432 HA VAL 432 -10.981 3.098 2.861 25 HB VAL 432 HB VAL 432 -8.986 3.459 1.441 26 HG11 VAL 432 HG11 VAL 432 -10.463 5.326 1.898 27 HG12 VAL 432 HG12 VAL 432 -8.792 5.882 1.798 28 HG13 VAL 432 HG13 VAL 432 -9.570 5.701 3.370 29 HG21 VAL 432 HG21 VAL 432 -7.616 4.138 4.040 30 HG22 VAL 432 HG22 VAL 432 -6.946 4.422 2.434 31 HG23 VAL 432 HG23 VAL 432 -7.246 2.774 2.987 32 H SER 433 HN SER 433 -10.244 1.330 1.359 33 HA SER 433 HA SER 433 -8.767 -0.799 2.700 34 HB2 SER 433 HB2 SER 433 -11.123 -1.027 3.462 35 HB3 SER 433 HB1 SER 433 -11.625 -1.196 1.781 36 HG SER 433 HG SER 433 -10.375 -3.084 1.651 37 H GLU 434 HN GLU 434 -9.298 0.930 -0.012 38 HA GLU 434 HA GLU 434 -9.185 -1.096 -2.017 39 HB2 GLU 434 HB2 GLU 434 -8.242 0.838 -3.434 40 HB3 GLU 434 HB1 GLU 434 -9.884 0.942 -2.862 41 HG2 GLU 434 HG2 GLU 434 -7.738 2.186 -1.237 42 HG3 GLU 434 HG1 GLU 434 -8.280 2.989 -2.712 43 H TRP 435 HN TRP 435 -6.847 0.520 -0.065 44 HA TRP 435 HA TRP 435 -4.646 -0.288 -1.775 45 HB2 TRP 435 HB2 TRP 435 -4.940 1.495 0.613 46 HB3 TRP 435 HB1 TRP 435 -3.350 0.866 0.190 47 HD1 TRP 435 HD1 TRP 435 -6.100 3.192 -1.163 48 HE1 TRP 435 HE1 TRP 435 -5.028 4.718 -2.962 49 HE3 TRP 435 HE3 TRP 435 -1.498 0.982 -1.463 50 HZ2 TRP 435 HZ2 TRP 435 -2.554 4.922 -4.330 51 HZ3 TRP 435 HZ3 TRP 435 0.155 1.886 -3.036 52 HH2 TRP 435 HH2 TRP 435 -0.357 3.814 -4.438 53 H THR 436 HN THR 436 -2.984 -1.669 -1.093 54 HA THR 436 HA THR 436 -3.650 -3.128 1.232 55 HB THR 436 HB THR 436 -3.277 -4.286 -1.434 56 HG1 THR 436 HG1 THR 436 -4.652 -5.047 0.942 57 HG21 THR 436 HG21 THR 436 -2.458 -6.424 -0.561 58 HG22 THR 436 HG22 THR 436 -2.252 -5.697 1.033 59 HG23 THR 436 HG23 THR 436 -1.271 -5.142 -0.324 60 H GLU 437 HN GLU 437 -1.861 -3.713 2.530 61 HA GLU 437 HA GLU 437 0.732 -2.979 1.330 62 HB2 GLU 437 HB2 GLU 437 1.676 -2.674 3.495 63 HB3 GLU 437 HB1 GLU 437 0.194 -1.735 3.417 64 HG2 GLU 437 HG2 GLU 437 0.316 -4.454 4.625 65 HG3 GLU 437 HG1 GLU 437 0.691 -3.009 5.548 66 H TYR 438 HN TYR 438 2.168 -4.486 0.935 67 HA TYR 438 HA TYR 438 1.711 -7.145 2.091 68 HB2 TYR 438 HB2 TYR 438 2.697 -6.391 -0.644 69 HB3 TYR 438 HB1 TYR 438 3.043 -7.965 0.043 70 HD1 TYR 438 HD1 TYR 438 0.592 -8.798 1.291 71 HD2 TYR 438 HD2 TYR 438 1.135 -6.625 -2.325 72 HE1 TYR 438 HE1 TYR 438 -1.549 -9.669 0.452 73 HE2 TYR 438 HE2 TYR 438 -1.008 -7.483 -3.171 74 HH TYR 438 HH TYR 438 -2.491 -9.415 -2.793 75 H LYS 439 HN LYS 439 3.504 -8.355 2.663 76 HA LYS 439 HA LYS 439 5.989 -6.802 2.912 77 HB2 LYS 439 HB2 LYS 439 4.523 -8.363 4.973 78 HB3 LYS 439 HB1 LYS 439 6.272 -8.468 4.963 79 HG2 LYS 439 HG2 LYS 439 5.679 -6.776 6.486 80 HG3 LYS 439 HG1 LYS 439 6.391 -6.019 5.055 81 HD2 LYS 439 HD2 LYS 439 4.532 -4.692 5.543 82 HD3 LYS 439 HD1 LYS 439 4.007 -5.743 4.239 83 HE2 LYS 439 HE2 LYS 439 3.442 -6.216 7.161 84 HE3 LYS 439 HE1 LYS 439 2.317 -5.460 6.039 85 HZ1 LYS 439 HZ1 LYS 439 3.222 -8.271 6.128 86 HZ2 LYS 439 HZ2 LYS 439 2.564 -7.616 4.714 87 HZ3 LYS 439 HZ3 LYS 439 1.640 -7.660 6.129 88 H THR 440 HN THR 440 7.821 -7.752 2.457 89 HA THR 440 HA THR 440 7.864 -10.544 1.601 90 HB THR 440 HB THR 440 10.338 -10.082 1.250 91 HG1 THR 440 HG1 THR 440 11.081 -8.253 1.943 92 HG21 THR 440 HG21 THR 440 10.025 -8.866 -0.826 93 HG22 THR 440 HG22 THR 440 8.445 -8.310 -0.287 94 HG23 THR 440 HG23 THR 440 8.712 -10.022 -0.601 95 H ALA 441 HN ALA 441 9.258 -12.066 2.696 96 HA ALA 441 HA ALA 441 8.859 -12.231 5.406 97 HB1 ALA 441 HB1 ALA 441 11.191 -13.422 3.919 98 HB2 ALA 441 HB2 ALA 441 9.566 -14.102 3.992 99 HB3 ALA 441 HB3 ALA 441 10.535 -13.976 5.460 100 H ASP 442 HN ASP 442 11.422 -10.446 3.805 101 HA ASP 442 HA ASP 442 12.975 -10.087 6.204 102 HB2 ASP 442 HB2 ASP 442 14.376 -8.611 4.873 103 HB3 ASP 442 HB1 ASP 442 14.033 -10.086 3.977 104 H GLY 443 HN GLY 443 10.116 -8.731 5.139 105 HA2 GLY 443 HA2 GLY 443 8.776 -7.448 6.584 106 HA3 GLY 443 HA1 GLY 443 10.239 -6.869 7.387 107 H LYS 444 HN LYS 444 9.963 -6.872 3.937 108 HA LYS 444 HA LYS 444 10.006 -4.007 3.845 109 HB2 LYS 444 HB2 LYS 444 9.950 -6.169 1.774 110 HB3 LYS 444 HB1 LYS 444 9.618 -4.495 1.321 111 HG2 LYS 444 HG2 LYS 444 11.726 -3.946 2.565 112 HG3 LYS 444 HG1 LYS 444 12.103 -5.659 2.494 113 HD2 LYS 444 HD2 LYS 444 11.424 -4.055 0.045 114 HD3 LYS 444 HD1 LYS 444 13.071 -4.189 0.655 115 HE2 LYS 444 HE2 LYS 444 11.330 -6.548 -0.045 116 HE3 LYS 444 HE1 LYS 444 12.488 -5.816 -1.154 117 HZ1 LYS 444 HZ1 LYS 444 14.223 -6.273 0.540 118 HZ2 LYS 444 HZ2 LYS 444 13.527 -7.666 -0.133 119 HZ3 LYS 444 HZ3 LYS 444 13.080 -7.158 1.427 120 H THR 445 HN THR 445 8.252 -2.909 4.340 121 HA THR 445 HA THR 445 5.658 -4.036 3.615 122 HB THR 445 HB THR 445 6.246 -1.470 5.130 123 HG1 THR 445 HG1 THR 445 6.749 -3.906 5.907 124 HG21 THR 445 HG21 THR 445 3.749 -3.170 4.950 125 HG22 THR 445 HG22 THR 445 3.984 -1.594 4.195 126 HG23 THR 445 HG23 THR 445 3.945 -1.733 5.953 127 H TYR 446 HN TYR 446 5.906 -3.738 1.352 128 HA TYR 446 HA TYR 446 5.734 -0.962 0.420 129 HB2 TYR 446 HB2 TYR 446 5.946 -1.940 -1.859 130 HB3 TYR 446 HB1 TYR 446 7.312 -2.307 -0.815 131 HD1 TYR 446 HD1 TYR 446 7.241 -4.618 0.388 132 HD2 TYR 446 HD2 TYR 446 4.907 -3.643 -3.029 133 HE1 TYR 446 HE1 TYR 446 6.986 -7.007 -0.097 134 HE2 TYR 446 HE2 TYR 446 4.639 -6.029 -3.538 135 HH TYR 446 HH TYR 446 5.469 -8.485 -1.315 136 H TYR 447 HN TYR 447 3.996 -0.264 -0.920 137 HA TYR 447 HA TYR 447 1.537 -1.583 -0.069 138 HB2 TYR 447 HB2 TYR 447 1.959 1.227 -1.105 139 HB3 TYR 447 HB1 TYR 447 0.424 0.552 -0.548 140 HD1 TYR 447 HD1 TYR 447 0.524 -0.552 1.837 141 HD2 TYR 447 HD2 TYR 447 3.220 2.425 0.450 142 HE1 TYR 447 HE1 TYR 447 1.076 -0.001 4.164 143 HE2 TYR 447 HE2 TYR 447 3.778 3.010 2.768 144 HH TYR 447 HH TYR 447 2.916 1.073 5.416 145 H TYR 448 HN TYR 448 0.683 -2.897 -1.356 146 HA TYR 448 HA TYR 448 0.545 -2.349 -4.240 147 HB2 TYR 448 HB2 TYR 448 1.712 -4.465 -3.480 148 HB3 TYR 448 HB1 TYR 448 0.177 -4.992 -2.809 149 HD1 TYR 448 HD1 TYR 448 -1.656 -5.682 -4.287 150 HD2 TYR 448 HD2 TYR 448 2.116 -4.485 -5.848 151 HE1 TYR 448 HE1 TYR 448 -2.228 -6.713 -6.447 152 HE2 TYR 448 HE2 TYR 448 1.557 -5.508 -8.009 153 HH TYR 448 HH TYR 448 0.126 -7.211 -8.903 154 H ASN 449 HN ASN 449 -1.411 -1.465 -4.693 155 HA ASN 449 HA ASN 449 -3.660 -2.006 -2.935 156 HB2 ASN 449 HB2 ASN 449 -3.421 0.164 -3.107 157 HB3 ASN 449 HB1 ASN 449 -3.027 0.122 -4.821 158 HD21 ASN 449 HD21 ASN 449 -4.901 1.867 -3.541 159 HD22 ASN 449 HD22 ASN 449 -6.457 1.551 -4.209 160 H ASN 450 HN ASN 450 -5.743 -2.556 -3.631 161 HA ASN 450 HA ASN 450 -5.254 -4.735 -5.540 162 HB2 ASN 450 HB2 ASN 450 -6.775 -6.067 -4.094 163 HB3 ASN 450 HB1 ASN 450 -5.298 -5.528 -3.306 164 HD21 ASN 450 HD21 ASN 450 -5.470 -4.150 -1.405 165 HD22 ASN 450 HD22 ASN 450 -7.034 -3.670 -0.815 166 H ARG 451 HN ARG 451 -6.979 -1.961 -5.250 167 HA ARG 451 HA ARG 451 -9.282 -2.959 -6.754 168 HB2 ARG 451 HB2 ARG 451 -9.770 -1.215 -5.132 169 HB3 ARG 451 HB1 ARG 451 -8.554 -0.168 -5.834 170 HG2 ARG 451 HG2 ARG 451 -9.826 0.185 -7.775 171 HG3 ARG 451 HG1 ARG 451 -10.909 -1.147 -7.397 172 HD2 ARG 451 HD2 ARG 451 -12.114 0.817 -6.909 173 HD3 ARG 451 HD1 ARG 451 -11.607 0.168 -5.353 174 HE ARG 451 HE ARG 451 -10.036 2.293 -6.637 175 HH11 ARG 451 HH11 ARG 451 -12.092 1.188 -4.015 176 HH12 ARG 451 HH12 ARG 451 -11.731 2.555 -2.997 177 HH21 ARG 451 HH21 ARG 451 -9.617 4.126 -5.294 178 HH22 ARG 451 HH22 ARG 451 -10.336 4.204 -3.716 179 H THR 452 HN THR 452 -6.359 -1.131 -7.105 180 HA THR 452 HA THR 452 -6.823 -0.913 -10.000 181 HB THR 452 HB THR 452 -5.184 1.223 -8.934 182 HG1 THR 452 HG1 THR 452 -7.713 1.761 -8.077 183 HG21 THR 452 HG21 THR 452 -6.343 1.254 -11.102 184 HG22 THR 452 HG22 THR 452 -6.821 2.611 -10.079 185 HG23 THR 452 HG23 THR 452 -7.891 1.220 -10.256 186 H LEU 453 HN LEU 453 -4.967 -2.116 -7.578 187 HA LEU 453 HA LEU 453 -2.976 -3.013 -7.321 188 HB2 LEU 453 HB2 LEU 453 -2.057 -4.281 -9.331 189 HB3 LEU 453 HB1 LEU 453 -3.588 -4.751 -8.597 190 HG LEU 453 HG LEU 453 -3.720 -2.909 -10.937 191 HD11 LEU 453 HD11 LEU 453 -2.001 -4.484 -11.649 192 HD12 LEU 453 HD12 LEU 453 -3.511 -4.766 -12.515 193 HD13 LEU 453 HD13 LEU 453 -3.038 -5.836 -11.194 194 HD21 LEU 453 HD21 LEU 453 -5.272 -5.355 -10.094 195 HD22 LEU 453 HD22 LEU 453 -5.666 -4.301 -11.452 196 HD23 LEU 453 HD23 LEU 453 -5.740 -3.679 -9.803 197 H TYR 454 HN TYR 454 -1.735 -1.623 -6.648 198 HA TYR 454 HA TYR 454 0.071 -0.140 -8.481 199 HB2 TYR 454 HB2 TYR 454 -0.576 0.461 -5.587 200 HB3 TYR 454 HB1 TYR 454 0.327 1.480 -6.658 201 HD1 TYR 454 HD2 TYR 454 -2.878 0.069 -5.969 202 HD2 TYR 454 HD1 TYR 454 -0.837 3.163 -7.972 203 HE1 TYR 454 HE2 TYR 454 -4.986 1.150 -6.253 204 HE2 TYR 454 HE1 TYR 454 -2.976 4.347 -8.334 205 HH TYR 454 HH TYR 454 -5.851 3.435 -6.706 206 H SER 455 HN SER 455 2.312 -0.370 -8.058 207 HA SER 455 HA SER 455 2.956 -1.708 -5.520 208 HB2 SER 455 HB2 SER 455 5.158 -2.342 -6.792 209 HB3 SER 455 HB1 SER 455 3.701 -3.321 -7.003 210 HG SER 455 HG SER 455 5.080 -1.864 -8.834 211 H THR 456 HN THR 456 3.341 0.018 -4.286 212 HA THR 456 HA THR 456 5.500 1.801 -5.177 213 HB THR 456 HB THR 456 3.490 3.105 -5.360 214 HG1 THR 456 HG1 THR 456 4.107 4.281 -3.013 215 HG21 THR 456 HG21 THR 456 2.019 1.776 -3.930 216 HG22 THR 456 HG22 THR 456 1.970 3.481 -3.481 217 HG23 THR 456 HG23 THR 456 2.890 2.337 -2.502 218 H TRP 457 HN TRP 457 7.176 1.716 -3.905 219 HA TRP 457 HA TRP 457 7.095 0.535 -1.293 220 HB2 TRP 457 HB2 TRP 457 9.338 2.081 -2.616 221 HB3 TRP 457 HB1 TRP 457 9.487 1.044 -1.203 222 HD1 TRP 457 HD1 TRP 457 9.185 0.918 -4.997 223 HE1 TRP 457 HE1 TRP 457 9.710 -1.473 -5.806 224 HE3 TRP 457 HE3 TRP 457 9.391 -1.431 -0.466 225 HZ2 TRP 457 HZ2 TRP 457 10.151 -4.016 -4.661 226 HZ3 TRP 457 HZ3 TRP 457 9.870 -3.842 -0.409 227 HH2 TRP 457 HH2 TRP 457 10.240 -5.107 -2.464 228 H GLU 458 HN GLU 458 6.211 3.540 -2.372 229 HA GLU 458 HA GLU 458 6.940 4.816 0.179 230 HB2 GLU 458 HB2 GLU 458 7.773 5.805 -2.042 231 HB3 GLU 458 HB1 GLU 458 6.105 6.294 -2.308 232 HG2 GLU 458 HG2 GLU 458 6.122 7.734 -0.445 233 HG3 GLU 458 HG1 GLU 458 7.626 7.047 0.166 234 H LYS 459 HN LYS 459 5.385 5.904 1.338 235 HA LYS 459 HA LYS 459 2.895 4.640 1.449 236 HB2 LYS 459 HB2 LYS 459 4.038 5.628 3.385 237 HB3 LYS 459 HB1 LYS 459 3.781 7.234 2.723 238 HG2 LYS 459 HG2 LYS 459 1.414 7.053 3.024 239 HG3 LYS 459 HG1 LYS 459 1.554 5.354 3.472 240 HD2 LYS 459 HD2 LYS 459 2.829 7.606 5.017 241 HD3 LYS 459 HD1 LYS 459 1.244 6.930 5.398 242 HE2 LYS 459 HE2 LYS 459 2.244 4.741 5.751 243 HE3 LYS 459 HE1 LYS 459 3.827 5.375 5.311 244 HZ1 LYS 459 HZ1 LYS 459 3.859 6.735 7.235 245 HZ2 LYS 459 HZ2 LYS 459 3.400 5.183 7.750 246 HZ3 LYS 459 HZ3 LYS 459 2.234 6.404 7.593 247 HA PRO 460 HA PRO 460 0.440 6.869 -1.521 248 HB2 PRO 460 HB2 PRO 460 -1.834 5.916 0.080 249 HB3 PRO 460 HB1 PRO 460 -1.424 5.568 -1.601 250 HG2 PRO 460 HG2 PRO 460 -1.188 3.722 0.338 251 HG3 PRO 460 HG1 PRO 460 -0.084 3.788 -1.046 252 HD2 PRO 460 HD2 PRO 460 0.335 4.707 1.764 253 HD3 PRO 460 HD1 PRO 460 1.467 3.908 0.653 254 H GLN 461 HN GLN 461 -0.930 8.678 -1.607 255 HA GLN 461 HA GLN 461 -0.564 10.498 0.558 256 HB2 GLN 461 HB2 GLN 461 -2.185 10.785 -1.971 257 HB3 GLN 461 HB1 GLN 461 -1.813 12.093 -0.857 258 HG2 GLN 461 HG2 GLN 461 0.167 10.504 -2.474 259 HG3 GLN 461 HG1 GLN 461 -0.347 12.163 -2.776 260 HE21 GLN 461 HE21 GLN 461 0.358 13.806 -1.390 261 HE22 GLN 461 HE22 GLN 461 1.722 13.587 -0.346 262 H GLU 462 HN GLU 462 -3.113 8.360 -0.398 263 HA GLU 462 HA GLU 462 -5.082 9.679 1.264 264 HB2 GLU 462 HB2 GLU 462 -6.469 7.617 0.733 265 HB3 GLU 462 HB1 GLU 462 -6.029 8.643 -0.623 266 HG2 GLU 462 HG2 GLU 462 -4.294 6.325 0.030 267 HG3 GLU 462 HG1 GLU 462 -5.842 6.029 -0.753 268 H LEU 463 HN LEU 463 -2.491 7.713 1.884 269 HA LEU 463 HA LEU 463 -3.721 6.610 4.322 270 HB2 LEU 463 HB2 LEU 463 -1.363 5.822 2.669 271 HB3 LEU 463 HB1 LEU 463 -1.327 5.468 4.384 272 HG LEU 463 HG LEU 463 -3.476 4.201 4.086 273 HD11 LEU 463 HD11 LEU 463 -2.871 4.606 1.171 274 HD12 LEU 463 HD12 LEU 463 -4.276 5.209 2.054 275 HD13 LEU 463 HD13 LEU 463 -4.057 3.474 1.819 276 HD21 LEU 463 HD21 LEU 463 -1.096 3.265 2.495 277 HD22 LEU 463 HD22 LEU 463 -2.403 2.240 3.089 278 HD23 LEU 463 HD23 LEU 463 -1.337 3.059 4.230 279 H LYS 464 HN LYS 464 -2.487 9.367 3.492 280 HA LYS 464 HA LYS 464 -0.331 9.711 5.360 281 HB2 LYS 464 HB2 LYS 464 -1.882 11.623 3.619 282 HB3 LYS 464 HB1 LYS 464 -0.601 12.147 4.704 283 HG2 LYS 464 HG2 LYS 464 -0.194 10.084 2.559 284 HG3 LYS 464 HG1 LYS 464 0.061 11.812 2.305 285 HD2 LYS 464 HD2 LYS 464 1.444 10.156 4.413 286 HD3 LYS 464 HD1 LYS 464 2.146 10.594 2.852 287 HE2 LYS 464 HE2 LYS 464 1.848 12.981 3.445 288 HE3 LYS 464 HE1 LYS 464 1.272 12.483 5.034 289 HZ1 LYS 464 HZ1 LYS 464 3.953 11.849 3.932 290 HZ2 LYS 464 HZ2 LYS 464 3.397 11.494 5.496 291 HZ3 LYS 464 HZ3 LYS 464 3.624 13.103 5.022 Start of MODEL 12 1 H1 GLY 428 HT1 GLY 428 -3.154 -3.132 7.297 2 H2 GLY 428 HT2 GLY 428 -4.054 -1.794 7.814 3 H3 GLY 428 HT3 GLY 428 -3.200 -1.735 6.342 4 HA2 GLY 428 HA1 GLY 428 -4.620 -3.327 5.346 5 HA3 GLY 428 HA2 GLY 428 -5.418 -3.622 6.886 6 H ALA 429 HN ALA 429 -7.437 -3.104 6.008 7 HA ALA 429 HA ALA 429 -7.851 -0.430 4.958 8 HB1 ALA 429 HB1 ALA 429 -9.833 -2.649 5.461 9 HB2 ALA 429 HB2 ALA 429 -9.009 -2.334 3.935 10 HB3 ALA 429 HB3 ALA 429 -10.146 -1.152 4.581 11 H THR 430 HN THR 430 -9.233 1.099 5.900 12 HA THR 430 HA THR 430 -10.294 0.574 8.564 13 HB THR 430 HB THR 430 -8.605 3.021 7.992 14 HG1 THR 430 HG1 THR 430 -7.890 0.514 8.718 15 HG21 THR 430 HG21 THR 430 -10.391 3.379 9.636 16 HG22 THR 430 HG22 THR 430 -8.803 3.419 10.405 17 HG23 THR 430 HG23 THR 430 -9.824 1.988 10.560 18 H ALA 431 HN ALA 431 -9.820 3.223 6.222 19 HA ALA 431 HA ALA 431 -12.759 3.494 6.105 20 HB1 ALA 431 HB1 ALA 431 -12.378 5.809 5.339 21 HB2 ALA 431 HB2 ALA 431 -10.650 5.593 5.612 22 HB3 ALA 431 HB3 ALA 431 -11.773 5.526 6.970 23 H VAL 432 HN VAL 432 -9.889 4.269 4.133 24 HA VAL 432 HA VAL 432 -11.238 3.471 1.726 25 HB VAL 432 HB VAL 432 -9.112 3.855 0.587 26 HG11 VAL 432 HG11 VAL 432 -10.546 5.766 0.990 27 HG12 VAL 432 HG12 VAL 432 -8.852 6.245 1.082 28 HG13 VAL 432 HG13 VAL 432 -9.790 6.030 2.561 29 HG21 VAL 432 HG21 VAL 432 -7.968 4.386 3.328 30 HG22 VAL 432 HG22 VAL 432 -7.136 4.638 1.794 31 HG23 VAL 432 HG23 VAL 432 -7.592 3.008 2.294 32 H SER 433 HN SER 433 -11.150 1.528 0.762 33 HA SER 433 HA SER 433 -9.621 -0.545 2.190 34 HB2 SER 433 HB2 SER 433 -12.388 -0.549 1.014 35 HB3 SER 433 HB1 SER 433 -11.533 -2.052 1.382 36 HG SER 433 HG SER 433 -11.689 -0.065 3.349 37 H GLU 434 HN GLU 434 -9.493 1.189 -0.479 38 HA GLU 434 HA GLU 434 -9.283 -0.830 -2.497 39 HB2 GLU 434 HB2 GLU 434 -8.389 0.986 -3.906 40 HB3 GLU 434 HB1 GLU 434 -9.905 1.394 -3.148 41 HG2 GLU 434 HG2 GLU 434 -8.768 2.735 -1.493 42 HG3 GLU 434 HG1 GLU 434 -7.215 2.270 -2.185 43 H TRP 435 HN TRP 435 -7.080 0.744 -0.299 44 HA TRP 435 HA TRP 435 -4.772 -0.099 -1.853 45 HB2 TRP 435 HB2 TRP 435 -5.192 1.690 0.517 46 HB3 TRP 435 HB1 TRP 435 -3.588 1.040 0.196 47 HD1 TRP 435 HD1 TRP 435 -6.165 3.491 -1.215 48 HE1 TRP 435 HE1 TRP 435 -5.014 4.963 -2.988 49 HE3 TRP 435 HE3 TRP 435 -1.656 1.090 -1.458 50 HZ2 TRP 435 HZ2 TRP 435 -2.514 5.094 -4.303 51 HZ3 TRP 435 HZ3 TRP 435 0.057 1.952 -2.992 52 HH2 TRP 435 HH2 TRP 435 -0.360 3.911 -4.384 53 H THR 436 HN THR 436 -3.140 -1.470 -1.029 54 HA THR 436 HA THR 436 -3.828 -2.793 1.358 55 HB THR 436 HB THR 436 -3.722 -4.165 -1.221 56 HG1 THR 436 HG1 THR 436 -5.314 -3.957 0.915 57 HG21 THR 436 HG21 THR 436 -3.000 -6.296 -0.248 58 HG22 THR 436 HG22 THR 436 -2.643 -5.482 1.277 59 HG23 THR 436 HG23 THR 436 -1.709 -5.095 -0.168 60 H GLU 437 HN GLU 437 -2.041 -3.601 2.545 61 HA GLU 437 HA GLU 437 0.555 -3.011 1.265 62 HB2 GLU 437 HB2 GLU 437 1.542 -2.520 3.405 63 HB3 GLU 437 HB1 GLU 437 0.127 -1.515 3.171 64 HG2 GLU 437 HG2 GLU 437 0.117 -4.025 4.785 65 HG3 GLU 437 HG1 GLU 437 0.449 -2.440 5.464 66 H TYR 438 HN TYR 438 2.080 -4.521 1.194 67 HA TYR 438 HA TYR 438 1.613 -7.068 2.599 68 HB2 TYR 438 HB2 TYR 438 2.448 -6.658 -0.265 69 HB3 TYR 438 HB1 TYR 438 2.733 -8.160 0.585 70 HD1 TYR 438 HD1 TYR 438 0.413 -8.903 1.926 71 HD2 TYR 438 HD2 TYR 438 0.688 -6.769 -1.744 72 HE1 TYR 438 HE1 TYR 438 -1.811 -9.731 1.286 73 HE2 TYR 438 HE2 TYR 438 -1.539 -7.585 -2.391 74 HH TYR 438 HH TYR 438 -3.643 -9.168 -0.189 75 H LYS 439 HN LYS 439 3.478 -8.184 3.208 76 HA LYS 439 HA LYS 439 5.941 -6.597 3.046 77 HB2 LYS 439 HB2 LYS 439 4.888 -8.318 5.237 78 HB3 LYS 439 HB1 LYS 439 6.622 -8.239 4.990 79 HG2 LYS 439 HG2 LYS 439 6.330 -6.571 6.509 80 HG3 LYS 439 HG1 LYS 439 6.243 -5.687 4.978 81 HD2 LYS 439 HD2 LYS 439 4.463 -4.950 6.458 82 HD3 LYS 439 HD1 LYS 439 3.786 -5.826 5.088 83 HE2 LYS 439 HE2 LYS 439 3.561 -7.831 6.447 84 HE3 LYS 439 HE1 LYS 439 4.298 -7.003 7.816 85 HZ1 LYS 439 HZ1 LYS 439 1.892 -7.093 7.998 86 HZ2 LYS 439 HZ2 LYS 439 1.719 -6.257 6.534 87 HZ3 LYS 439 HZ3 LYS 439 2.423 -5.487 7.875 88 H THR 440 HN THR 440 7.769 -7.474 2.465 89 HA THR 440 HA THR 440 7.786 -10.308 1.680 90 HB THR 440 HB THR 440 10.192 -9.515 0.833 91 HG1 THR 440 HG1 THR 440 8.693 -7.181 0.325 92 HG21 THR 440 HG21 THR 440 7.587 -9.018 -0.605 93 HG22 THR 440 HG22 THR 440 8.514 -10.518 -0.590 94 HG23 THR 440 HG23 THR 440 9.169 -9.084 -1.380 95 H ALA 441 HN ALA 441 9.583 -11.608 2.442 96 HA ALA 441 HA ALA 441 9.450 -11.969 5.066 97 HB1 ALA 441 HB1 ALA 441 11.413 -13.355 4.965 98 HB2 ALA 441 HB2 ALA 441 11.958 -12.534 3.503 99 HB3 ALA 441 HB3 ALA 441 10.491 -13.512 3.470 100 H ASP 442 HN ASP 442 11.908 -9.755 3.698 101 HA ASP 442 HA ASP 442 13.241 -9.512 6.245 102 HB2 ASP 442 HB2 ASP 442 14.765 -8.043 5.164 103 HB3 ASP 442 HB1 ASP 442 14.391 -9.316 4.008 104 H GLY 443 HN GLY 443 10.378 -8.361 5.252 105 HA2 GLY 443 HA2 GLY 443 8.978 -7.093 6.660 106 HA3 GLY 443 HA1 GLY 443 10.410 -6.362 7.381 107 H LYS 444 HN LYS 444 10.069 -6.613 3.945 108 HA LYS 444 HA LYS 444 9.992 -3.759 3.630 109 HB2 LYS 444 HB2 LYS 444 9.864 -6.067 1.707 110 HB3 LYS 444 HB1 LYS 444 9.627 -4.406 1.177 111 HG2 LYS 444 HG2 LYS 444 11.793 -3.854 2.134 112 HG3 LYS 444 HG1 LYS 444 12.062 -5.554 2.490 113 HD2 LYS 444 HD2 LYS 444 11.866 -6.084 0.112 114 HD3 LYS 444 HD1 LYS 444 11.579 -4.382 -0.251 115 HE2 LYS 444 HE2 LYS 444 13.870 -4.892 -0.730 116 HE3 LYS 444 HE1 LYS 444 13.806 -3.854 0.694 117 HZ1 LYS 444 HZ1 LYS 444 14.309 -6.778 0.608 118 HZ2 LYS 444 HZ2 LYS 444 13.980 -5.935 2.045 119 HZ3 LYS 444 HZ3 LYS 444 15.358 -5.553 1.137 120 H THR 445 HN THR 445 8.163 -2.695 4.068 121 HA THR 445 HA THR 445 5.642 -3.996 3.340 122 HB THR 445 HB THR 445 5.999 -1.363 4.790 123 HG1 THR 445 HG1 THR 445 6.861 -3.488 5.756 124 HG21 THR 445 HG21 THR 445 3.711 -1.793 5.573 125 HG22 THR 445 HG22 THR 445 3.665 -3.280 4.624 126 HG23 THR 445 HG23 THR 445 3.780 -1.718 3.812 127 H TYR 446 HN TYR 446 5.937 -3.767 1.090 128 HA TYR 446 HA TYR 446 5.641 -1.059 0.040 129 HB2 TYR 446 HB2 TYR 446 5.655 -2.181 -2.191 130 HB3 TYR 446 HB1 TYR 446 7.103 -2.471 -1.242 131 HD1 TYR 446 HD1 TYR 446 7.365 -4.684 -0.078 132 HD2 TYR 446 HD2 TYR 446 4.324 -3.970 -2.965 133 HE1 TYR 446 HE1 TYR 446 7.110 -7.100 -0.387 134 HE2 TYR 446 HE2 TYR 446 4.052 -6.389 -3.286 135 HH TYR 446 HH TYR 446 5.219 -8.438 -2.957 136 H TYR 447 HN TYR 447 3.809 -0.318 -0.997 137 HA TYR 447 HA TYR 447 1.417 -1.642 -0.003 138 HB2 TYR 447 HB2 TYR 447 1.806 1.149 -1.098 139 HB3 TYR 447 HB1 TYR 447 0.284 0.506 -0.481 140 HD1 TYR 447 HD1 TYR 447 0.084 -0.126 1.892 141 HD2 TYR 447 HD2 TYR 447 3.518 1.893 0.415 142 HE1 TYR 447 HE1 TYR 447 0.726 0.434 4.196 143 HE2 TYR 447 HE2 TYR 447 4.170 2.480 2.713 144 HH TYR 447 HH TYR 447 2.655 1.072 5.461 145 H TYR 448 HN TYR 448 0.701 -3.119 -1.266 146 HA TYR 448 HA TYR 448 0.378 -2.637 -4.127 147 HB2 TYR 448 HB2 TYR 448 1.370 -4.798 -3.299 148 HB3 TYR 448 HB1 TYR 448 -0.171 -5.156 -2.535 149 HD1 TYR 448 HD2 TYR 448 -2.112 -5.777 -3.885 150 HD2 TYR 448 HD1 TYR 448 1.649 -4.956 -5.695 151 HE1 TYR 448 HE2 TYR 448 -2.885 -6.843 -5.962 152 HE2 TYR 448 HE1 TYR 448 0.888 -6.020 -7.775 153 HH TYR 448 HH TYR 448 -0.779 -7.676 -8.490 154 H ASN 449 HN ASN 449 -1.483 -1.614 -4.636 155 HA ASN 449 HA ASN 449 -3.774 -1.913 -2.869 156 HB2 ASN 449 HB2 ASN 449 -3.427 0.237 -3.154 157 HB3 ASN 449 HB1 ASN 449 -3.007 0.087 -4.854 158 HD21 ASN 449 HD21 ASN 449 -4.824 1.986 -3.686 159 HD22 ASN 449 HD22 ASN 449 -6.380 1.729 -4.381 160 H ASN 450 HN ASN 450 -5.917 -2.331 -3.603 161 HA ASN 450 HA ASN 450 -5.514 -4.688 -5.313 162 HB2 ASN 450 HB2 ASN 450 -7.087 -5.849 -3.779 163 HB3 ASN 450 HB1 ASN 450 -5.595 -5.315 -3.016 164 HD21 ASN 450 HD21 ASN 450 -5.721 -3.819 -1.227 165 HD22 ASN 450 HD22 ASN 450 -7.264 -3.229 -0.686 166 H ARG 451 HN ARG 451 -7.136 -1.814 -5.334 167 HA ARG 451 HA ARG 451 -9.425 -2.979 -6.764 168 HB2 ARG 451 HB2 ARG 451 -10.340 -0.738 -6.926 169 HB3 ARG 451 HB1 ARG 451 -9.936 -1.083 -5.252 170 HG2 ARG 451 HG2 ARG 451 -8.314 0.500 -5.186 171 HG3 ARG 451 HG1 ARG 451 -7.876 0.280 -6.879 172 HD2 ARG 451 HD2 ARG 451 -8.869 2.462 -6.566 173 HD3 ARG 451 HD1 ARG 451 -9.931 1.456 -7.546 174 HE ARG 451 HE ARG 451 -10.918 1.102 -5.057 175 HH11 ARG 451 HH11 ARG 451 -10.156 3.953 -6.953 176 HH12 ARG 451 HH12 ARG 451 -11.311 4.964 -6.138 177 HH21 ARG 451 HH21 ARG 451 -12.471 2.431 -4.005 178 HH22 ARG 451 HH22 ARG 451 -12.630 4.092 -4.477 179 H THR 452 HN THR 452 -6.428 -1.377 -7.228 180 HA THR 452 HA THR 452 -6.871 -1.288 -10.132 181 HB THR 452 HB THR 452 -5.505 0.856 -8.490 182 HG1 THR 452 HG1 THR 452 -7.997 1.108 -9.835 183 HG21 THR 452 HG21 THR 452 -5.585 2.182 -10.515 184 HG22 THR 452 HG22 THR 452 -6.344 0.847 -11.384 185 HG23 THR 452 HG23 THR 452 -4.689 0.690 -10.795 186 H LEU 453 HN LEU 453 -5.001 -2.221 -7.520 187 HA LEU 453 HA LEU 453 -3.107 -3.258 -7.199 188 HB2 LEU 453 HB2 LEU 453 -2.256 -4.754 -9.075 189 HB3 LEU 453 HB1 LEU 453 -3.814 -5.062 -8.324 190 HG LEU 453 HG LEU 453 -4.687 -3.662 -10.414 191 HD11 LEU 453 HD11 LEU 453 -3.400 -4.157 -12.423 192 HD12 LEU 453 HD12 LEU 453 -2.125 -4.873 -11.438 193 HD13 LEU 453 HD13 LEU 453 -2.479 -3.150 -11.305 194 HD21 LEU 453 HD21 LEU 453 -3.841 -6.551 -10.545 195 HD22 LEU 453 HD22 LEU 453 -5.042 -5.778 -11.578 196 HD23 LEU 453 HD23 LEU 453 -5.339 -5.934 -9.848 197 H TYR 454 HN TYR 454 -1.730 -2.004 -6.600 198 HA TYR 454 HA TYR 454 0.116 -0.651 -8.495 199 HB2 TYR 454 HB2 TYR 454 -0.573 0.157 -5.665 200 HB3 TYR 454 HB1 TYR 454 0.392 1.076 -6.774 201 HD1 TYR 454 HD1 TYR 454 -2.880 -0.174 -6.069 202 HD2 TYR 454 HD2 TYR 454 -0.679 2.704 -8.223 203 HE1 TYR 454 HE1 TYR 454 -4.929 0.974 -6.467 204 HE2 TYR 454 HE2 TYR 454 -2.766 3.933 -8.715 205 HH TYR 454 HH TYR 454 -5.125 3.616 -8.777 206 H SER 455 HN SER 455 2.322 -0.984 -8.066 207 HA SER 455 HA SER 455 2.942 -2.107 -5.423 208 HB2 SER 455 HB2 SER 455 5.147 -2.831 -6.570 209 HB3 SER 455 HB1 SER 455 3.687 -3.777 -6.875 210 HG SER 455 HG SER 455 5.103 -2.061 -8.582 211 H THR 456 HN THR 456 3.312 -0.290 -4.277 212 HA THR 456 HA THR 456 5.464 1.443 -5.287 213 HB THR 456 HB THR 456 3.515 2.794 -5.403 214 HG1 THR 456 HG1 THR 456 4.136 3.895 -3.014 215 HG21 THR 456 HG21 THR 456 1.989 3.148 -3.524 216 HG22 THR 456 HG22 THR 456 2.884 1.966 -2.571 217 HG23 THR 456 HG23 THR 456 2.017 1.454 -4.019 218 H TRP 457 HN TRP 457 7.188 1.473 -4.094 219 HA TRP 457 HA TRP 457 7.276 0.182 -1.528 220 HB2 TRP 457 HB2 TRP 457 9.422 1.670 -3.056 221 HB3 TRP 457 HB1 TRP 457 9.690 0.666 -1.635 222 HD1 TRP 457 HD1 TRP 457 9.151 0.472 -5.378 223 HE1 TRP 457 HE1 TRP 457 9.455 -1.965 -6.162 224 HE3 TRP 457 HE3 TRP 457 9.387 -1.810 -0.807 225 HZ2 TRP 457 HZ2 TRP 457 9.755 -4.512 -4.978 226 HZ3 TRP 457 HZ3 TRP 457 9.682 -4.246 -0.725 227 HH2 TRP 457 HH2 TRP 457 9.867 -5.570 -2.765 228 H GLU 458 HN GLU 458 6.276 3.168 -2.390 229 HA GLU 458 HA GLU 458 7.237 4.401 0.111 230 HB2 GLU 458 HB2 GLU 458 7.581 5.353 -2.457 231 HB3 GLU 458 HB1 GLU 458 6.145 6.215 -1.923 232 HG2 GLU 458 HG2 GLU 458 8.761 6.155 -0.433 233 HG3 GLU 458 HG1 GLU 458 8.250 7.442 -1.523 234 H LYS 459 HN LYS 459 5.723 5.458 1.383 235 HA LYS 459 HA LYS 459 3.057 4.381 1.226 236 HB2 LYS 459 HB2 LYS 459 4.248 4.655 3.369 237 HB3 LYS 459 HB1 LYS 459 4.255 6.396 3.140 238 HG2 LYS 459 HG2 LYS 459 1.878 6.504 3.343 239 HG3 LYS 459 HG1 LYS 459 1.749 4.743 3.341 240 HD2 LYS 459 HD2 LYS 459 1.532 5.662 5.601 241 HD3 LYS 459 HD1 LYS 459 2.956 4.635 5.454 242 HE2 LYS 459 HE2 LYS 459 4.377 6.595 5.249 243 HE3 LYS 459 HE1 LYS 459 2.964 7.648 5.296 244 HZ1 LYS 459 HZ1 LYS 459 3.961 5.912 7.489 245 HZ2 LYS 459 HZ2 LYS 459 2.493 6.760 7.538 246 HZ3 LYS 459 HZ3 LYS 459 3.955 7.609 7.449 247 HA PRO 460 HA PRO 460 1.550 7.817 -1.179 248 HB2 PRO 460 HB2 PRO 460 -0.985 6.945 -1.436 249 HB3 PRO 460 HB1 PRO 460 0.357 6.202 -2.314 250 HG2 PRO 460 HG2 PRO 460 -1.029 5.284 0.167 251 HG3 PRO 460 HG1 PRO 460 -0.486 4.338 -1.231 252 HD2 PRO 460 HD2 PRO 460 0.893 4.507 1.127 253 HD3 PRO 460 HD1 PRO 460 1.652 4.176 -0.440 254 H GLN 461 HN GLN 461 0.049 9.550 -0.958 255 HA GLN 461 HA GLN 461 -0.004 10.599 1.630 256 HB2 GLN 461 HB2 GLN 461 0.018 11.931 -0.463 257 HB3 GLN 461 HB1 GLN 461 -1.663 11.494 -0.729 258 HG2 GLN 461 HG2 GLN 461 -1.522 13.713 0.198 259 HG3 GLN 461 HG1 GLN 461 -2.278 12.623 1.357 260 HE21 GLN 461 HE21 GLN 461 -1.203 12.104 3.246 261 HE22 GLN 461 HE22 GLN 461 0.187 12.976 3.795 262 H GLU 462 HN GLU 462 -2.406 8.717 -0.074 263 HA GLU 462 HA GLU 462 -4.530 9.409 1.732 264 HB2 GLU 462 HB2 GLU 462 -5.601 7.286 0.608 265 HB3 GLU 462 HB1 GLU 462 -5.460 8.802 -0.265 266 HG2 GLU 462 HG2 GLU 462 -3.330 6.716 -0.490 267 HG3 GLU 462 HG1 GLU 462 -4.813 6.597 -1.437 268 H LEU 463 HN LEU 463 -1.880 7.362 2.007 269 HA LEU 463 HA LEU 463 -3.250 5.706 4.017 270 HB2 LEU 463 HB2 LEU 463 -0.744 5.316 2.419 271 HB3 LEU 463 HB1 LEU 463 -0.973 4.445 3.923 272 HG LEU 463 HG LEU 463 -2.920 4.311 1.617 273 HD11 LEU 463 HD11 LEU 463 -0.731 2.380 2.374 274 HD12 LEU 463 HD12 LEU 463 -0.747 3.409 0.942 275 HD13 LEU 463 HD13 LEU 463 -1.949 2.132 1.123 276 HD21 LEU 463 HD21 LEU 463 -2.546 2.585 4.056 277 HD22 LEU 463 HD22 LEU 463 -3.748 2.350 2.788 278 HD23 LEU 463 HD23 LEU 463 -3.829 3.773 3.829 279 H LYS 464 HN LYS 464 -1.420 8.457 3.782 280 HA LYS 464 HA LYS 464 -0.303 8.058 6.472 281 HB2 LYS 464 HB2 LYS 464 1.420 9.779 5.807 282 HB3 LYS 464 HB1 LYS 464 1.547 8.224 4.999 283 HG2 LYS 464 HG2 LYS 464 0.268 9.261 3.086 284 HG3 LYS 464 HG1 LYS 464 0.522 10.813 3.885 285 HD2 LYS 464 HD2 LYS 464 2.716 8.916 3.051 286 HD3 LYS 464 HD1 LYS 464 2.205 10.333 2.133 287 HE2 LYS 464 HE2 LYS 464 2.816 11.765 4.029 288 HE3 LYS 464 HE1 LYS 464 3.344 10.340 4.924 289 HZ1 LYS 464 HZ1 LYS 464 5.016 9.926 3.242 290 HZ2 LYS 464 HZ2 LYS 464 5.199 11.492 3.870 291 HZ3 LYS 464 HZ3 LYS 464 4.494 11.268 2.346 Start of MODEL 13 1 H1 GLY 428 HT1 GLY 428 -4.740 12.677 6.126 2 H2 GLY 428 HT2 GLY 428 -5.448 13.177 7.587 3 H3 GLY 428 HT3 GLY 428 -5.114 14.312 6.372 4 HA2 GLY 428 HA1 GLY 428 -7.471 13.791 6.448 5 HA3 GLY 428 HA2 GLY 428 -6.737 13.325 4.919 6 H ALA 429 HN ALA 429 -8.150 12.211 7.892 7 HA ALA 429 HA ALA 429 -7.597 9.457 7.592 8 HB1 ALA 429 HB1 ALA 429 -8.246 10.435 9.731 9 HB2 ALA 429 HB2 ALA 429 -9.328 9.119 9.278 10 HB3 ALA 429 HB3 ALA 429 -9.849 10.792 9.087 11 H THR 430 HN THR 430 -8.125 8.485 5.763 12 HA THR 430 HA THR 430 -10.954 8.529 4.953 13 HB THR 430 HB THR 430 -10.072 8.126 2.581 14 HG1 THR 430 HG1 THR 430 -7.709 8.884 3.940 15 HG21 THR 430 HG21 THR 430 -11.122 10.223 3.249 16 HG22 THR 430 HG22 THR 430 -9.776 10.526 2.150 17 HG23 THR 430 HG23 THR 430 -9.582 10.807 3.881 18 H ALA 431 HN ALA 431 -11.852 6.551 4.523 19 HA ALA 431 HA ALA 431 -10.313 4.268 5.408 20 HB1 ALA 431 HB1 ALA 431 -12.413 3.038 5.298 21 HB2 ALA 431 HB2 ALA 431 -13.193 4.414 4.521 22 HB3 ALA 431 HB3 ALA 431 -12.620 4.550 6.184 23 H VAL 432 HN VAL 432 -8.844 4.532 3.558 24 HA VAL 432 HA VAL 432 -9.799 3.751 0.956 25 HB VAL 432 HB VAL 432 -7.362 3.741 0.349 26 HG11 VAL 432 HG11 VAL 432 -8.390 6.236 1.702 27 HG12 VAL 432 HG12 VAL 432 -8.744 5.735 0.050 28 HG13 VAL 432 HG13 VAL 432 -7.097 6.170 0.502 29 HG21 VAL 432 HG21 VAL 432 -5.732 4.549 1.925 30 HG22 VAL 432 HG22 VAL 432 -6.563 3.151 2.625 31 HG23 VAL 432 HG23 VAL 432 -6.981 4.784 3.152 32 H SER 433 HN SER 433 -10.717 1.714 1.341 33 HA SER 433 HA SER 433 -8.977 -0.362 2.380 34 HB2 SER 433 HB2 SER 433 -11.782 -0.742 1.348 35 HB3 SER 433 HB1 SER 433 -10.882 -1.708 2.518 36 HG SER 433 HG SER 433 -10.946 0.089 3.944 37 H GLU 434 HN GLU 434 -9.419 1.086 -0.511 38 HA GLU 434 HA GLU 434 -9.268 -1.156 -2.267 39 HB2 GLU 434 HB2 GLU 434 -8.552 0.518 -3.955 40 HB3 GLU 434 HB1 GLU 434 -10.035 0.948 -3.135 41 HG2 GLU 434 HG2 GLU 434 -8.935 2.580 -1.815 42 HG3 GLU 434 HG1 GLU 434 -7.356 2.036 -2.387 43 H TRP 435 HN TRP 435 -7.059 0.583 -0.320 44 HA TRP 435 HA TRP 435 -4.738 -0.194 -1.882 45 HB2 TRP 435 HB2 TRP 435 -5.233 1.621 0.451 46 HB3 TRP 435 HB1 TRP 435 -3.600 1.034 0.142 47 HD1 TRP 435 HD1 TRP 435 -6.317 3.273 -1.417 48 HE1 TRP 435 HE1 TRP 435 -5.198 4.752 -3.210 49 HE3 TRP 435 HE3 TRP 435 -1.664 1.162 -1.404 50 HZ2 TRP 435 HZ2 TRP 435 -2.656 4.985 -4.447 51 HZ3 TRP 435 HZ3 TRP 435 0.049 2.057 -2.920 52 HH2 TRP 435 HH2 TRP 435 -0.433 3.927 -4.406 53 H THR 436 HN THR 436 -3.140 -1.615 -1.126 54 HA THR 436 HA THR 436 -3.910 -3.003 1.214 55 HB THR 436 HB THR 436 -3.569 -4.255 -1.415 56 HG1 THR 436 HG1 THR 436 -5.163 -4.494 0.885 57 HG21 THR 436 HG21 THR 436 -1.620 -5.169 -0.241 58 HG22 THR 436 HG22 THR 436 -2.860 -6.400 -0.472 59 HG23 THR 436 HG23 THR 436 -2.651 -5.645 1.107 60 H GLU 437 HN GLU 437 -2.184 -3.639 2.561 61 HA GLU 437 HA GLU 437 0.466 -2.961 1.463 62 HB2 GLU 437 HB2 GLU 437 1.280 -2.465 3.648 63 HB3 GLU 437 HB1 GLU 437 -0.204 -1.559 3.400 64 HG2 GLU 437 HG2 GLU 437 -0.062 -4.146 4.887 65 HG3 GLU 437 HG1 GLU 437 0.112 -2.580 5.666 66 H TYR 438 HN TYR 438 1.948 -4.445 1.294 67 HA TYR 438 HA TYR 438 1.550 -7.030 2.641 68 HB2 TYR 438 HB2 TYR 438 2.501 -6.511 -0.169 69 HB3 TYR 438 HB1 TYR 438 2.779 -8.031 0.650 70 HD1 TYR 438 HD1 TYR 438 0.279 -8.635 1.943 71 HD2 TYR 438 HD2 TYR 438 0.975 -6.851 -1.856 72 HE1 TYR 438 HE1 TYR 438 -1.873 -9.514 1.141 73 HE2 TYR 438 HE2 TYR 438 -1.181 -7.712 -2.663 74 HH TYR 438 HH TYR 438 -2.712 -9.628 -2.101 75 H LYS 439 HN LYS 439 3.393 -8.087 3.325 76 HA LYS 439 HA LYS 439 5.906 -6.598 3.005 77 HB2 LYS 439 HB2 LYS 439 4.794 -7.877 5.461 78 HB3 LYS 439 HB1 LYS 439 6.528 -7.908 5.199 79 HG2 LYS 439 HG2 LYS 439 6.221 -6.019 6.483 80 HG3 LYS 439 HG1 LYS 439 6.345 -5.407 4.825 81 HD2 LYS 439 HD2 LYS 439 4.514 -4.329 6.073 82 HD3 LYS 439 HD1 LYS 439 3.930 -5.255 4.693 83 HE2 LYS 439 HE2 LYS 439 3.307 -7.092 6.142 84 HE3 LYS 439 HE1 LYS 439 3.979 -6.249 7.535 85 HZ1 LYS 439 HZ1 LYS 439 1.643 -5.967 7.568 86 HZ2 LYS 439 HZ2 LYS 439 1.592 -5.480 5.950 87 HZ3 LYS 439 HZ3 LYS 439 2.304 -4.473 7.113 88 H THR 440 HN THR 440 7.690 -7.670 2.613 89 HA THR 440 HA THR 440 7.539 -10.550 2.100 90 HB THR 440 HB THR 440 9.944 -10.220 1.327 91 HG1 THR 440 HG1 THR 440 10.740 -8.326 1.820 92 HG21 THR 440 HG21 THR 440 8.118 -10.431 -0.268 93 HG22 THR 440 HG22 THR 440 9.286 -9.236 -0.833 94 HG23 THR 440 HG23 THR 440 7.766 -8.709 -0.117 95 H ALA 441 HN ALA 441 9.008 -11.969 3.209 96 HA ALA 441 HA ALA 441 8.998 -11.905 5.885 97 HB1 ALA 441 HB1 ALA 441 11.307 -13.021 4.312 98 HB2 ALA 441 HB2 ALA 441 9.741 -13.807 4.519 99 HB3 ALA 441 HB3 ALA 441 10.777 -13.525 5.918 100 H ASP 442 HN ASP 442 11.424 -10.145 3.981 101 HA ASP 442 HA ASP 442 13.091 -9.614 6.272 102 HB2 ASP 442 HB2 ASP 442 14.463 -8.305 4.799 103 HB3 ASP 442 HB1 ASP 442 13.992 -9.772 3.948 104 H GLY 443 HN GLY 443 10.177 -8.364 5.261 105 HA2 GLY 443 HA2 GLY 443 8.917 -6.886 6.583 106 HA3 GLY 443 HA1 GLY 443 10.416 -6.235 7.247 107 H LYS 444 HN LYS 444 10.002 -6.656 3.832 108 HA LYS 444 HA LYS 444 10.144 -3.857 3.293 109 HB2 LYS 444 HB2 LYS 444 9.468 -6.234 1.568 110 HB3 LYS 444 HB1 LYS 444 9.463 -4.588 0.961 111 HG2 LYS 444 HG2 LYS 444 11.784 -4.366 1.609 112 HG3 LYS 444 HG1 LYS 444 11.807 -6.054 2.116 113 HD2 LYS 444 HD2 LYS 444 10.913 -6.464 -0.316 114 HD3 LYS 444 HD1 LYS 444 11.637 -4.886 -0.631 115 HE2 LYS 444 HE2 LYS 444 12.968 -7.423 0.253 116 HE3 LYS 444 HE1 LYS 444 13.313 -6.433 -1.162 117 HZ1 LYS 444 HZ1 LYS 444 13.998 -4.658 0.489 118 HZ2 LYS 444 HZ2 LYS 444 15.026 -6.002 0.340 119 HZ3 LYS 444 HZ3 LYS 444 13.972 -5.885 1.667 120 H THR 445 HN THR 445 8.475 -2.552 3.844 121 HA THR 445 HA THR 445 5.783 -3.634 3.483 122 HB THR 445 HB THR 445 6.541 -0.891 4.530 123 HG1 THR 445 HG1 THR 445 7.228 -3.027 5.689 124 HG21 THR 445 HG21 THR 445 4.218 -1.108 3.799 125 HG22 THR 445 HG22 THR 445 4.305 -0.976 5.556 126 HG23 THR 445 HG23 THR 445 4.027 -2.547 4.800 127 H TYR 446 HN TYR 446 5.886 -3.719 1.193 128 HA TYR 446 HA TYR 446 5.687 -1.101 -0.114 129 HB2 TYR 446 HB2 TYR 446 5.676 -2.358 -2.237 130 HB3 TYR 446 HB1 TYR 446 7.105 -2.680 -1.274 131 HD1 TYR 446 HD2 TYR 446 6.883 -4.835 0.297 132 HD2 TYR 446 HD1 TYR 446 4.602 -4.129 -3.221 133 HE1 TYR 446 HE2 TYR 446 6.457 -7.247 0.102 134 HE2 TYR 446 HE1 TYR 446 4.171 -6.537 -3.436 135 HH TYR 446 HH TYR 446 5.408 -8.718 -2.628 136 H TYR 447 HN TYR 447 3.862 -0.423 -1.148 137 HA TYR 447 HA TYR 447 1.459 -1.707 -0.106 138 HB2 TYR 447 HB2 TYR 447 1.812 1.071 -1.247 139 HB3 TYR 447 HB1 TYR 447 0.318 0.416 -0.587 140 HD1 TYR 447 HD1 TYR 447 0.524 -0.557 1.850 141 HD2 TYR 447 HD2 TYR 447 3.182 2.305 0.169 142 HE1 TYR 447 HE1 TYR 447 1.180 0.138 4.112 143 HE2 TYR 447 HE2 TYR 447 3.847 3.017 2.428 144 HH TYR 447 HH TYR 447 3.077 1.248 5.220 145 H TYR 448 HN TYR 448 0.627 -3.120 -1.350 146 HA TYR 448 HA TYR 448 0.389 -2.624 -4.229 147 HB2 TYR 448 HB2 TYR 448 1.440 -4.774 -3.524 148 HB3 TYR 448 HB1 TYR 448 -0.031 -5.186 -2.657 149 HD1 TYR 448 HD2 TYR 448 -2.072 -5.800 -3.894 150 HD2 TYR 448 HD1 TYR 448 1.575 -4.970 -5.925 151 HE1 TYR 448 HE2 TYR 448 -2.963 -6.875 -5.920 152 HE2 TYR 448 HE1 TYR 448 0.695 -6.044 -7.953 153 HH TYR 448 HH TYR 448 -2.585 -6.858 -8.340 154 H ASN 449 HN ASN 449 -1.506 -1.662 -4.721 155 HA ASN 449 HA ASN 449 -3.780 -2.033 -2.962 156 HB2 ASN 449 HB2 ASN 449 -3.483 0.109 -3.240 157 HB3 ASN 449 HB1 ASN 449 -3.044 -0.037 -4.936 158 HD21 ASN 449 HD21 ASN 449 -4.984 1.754 -3.643 159 HD22 ASN 449 HD22 ASN 449 -6.491 1.487 -4.440 160 H ASN 450 HN ASN 450 -5.872 -2.571 -3.646 161 HA ASN 450 HA ASN 450 -5.473 -4.855 -5.457 162 HB2 ASN 450 HB2 ASN 450 -7.105 -6.031 -3.999 163 HB3 ASN 450 HB1 ASN 450 -5.631 -5.537 -3.176 164 HD21 ASN 450 HD21 ASN 450 -5.804 -4.071 -1.348 165 HD22 ASN 450 HD22 ASN 450 -7.361 -3.482 -0.844 166 H ARG 451 HN ARG 451 -7.066 -1.993 -5.170 167 HA ARG 451 HA ARG 451 -9.469 -2.782 -6.607 168 HB2 ARG 451 HB2 ARG 451 -9.772 -1.012 -5.036 169 HB3 ARG 451 HB1 ARG 451 -8.370 -0.143 -5.635 170 HG2 ARG 451 HG2 ARG 451 -9.571 0.228 -7.766 171 HG3 ARG 451 HG1 ARG 451 -10.989 -0.531 -7.050 172 HD2 ARG 451 HD2 ARG 451 -11.023 1.184 -5.303 173 HD3 ARG 451 HD1 ARG 451 -9.605 1.943 -6.026 174 HE ARG 451 HE ARG 451 -11.795 1.647 -7.859 175 HH11 ARG 451 HH11 ARG 451 -10.415 3.721 -5.363 176 HH12 ARG 451 HH12 ARG 451 -11.237 5.134 -5.949 177 HH21 ARG 451 HH21 ARG 451 -12.826 3.506 -8.609 178 HH22 ARG 451 HH22 ARG 451 -12.590 5.029 -7.792 179 H THR 452 HN THR 452 -6.540 -0.913 -7.100 180 HA THR 452 HA THR 452 -7.009 -0.946 -10.010 181 HB THR 452 HB THR 452 -5.170 1.103 -9.203 182 HG1 THR 452 HG1 THR 452 -6.458 2.243 -7.772 183 HG21 THR 452 HG21 THR 452 -8.004 1.257 -10.232 184 HG22 THR 452 HG22 THR 452 -6.555 1.135 -11.232 185 HG23 THR 452 HG23 THR 452 -6.825 2.568 -10.239 186 H LEU 453 HN LEU 453 -5.225 -2.213 -7.610 187 HA LEU 453 HA LEU 453 -3.253 -3.139 -7.287 188 HB2 LEU 453 HB2 LEU 453 -2.373 -4.539 -9.220 189 HB3 LEU 453 HB1 LEU 453 -3.928 -4.914 -8.484 190 HG LEU 453 HG LEU 453 -3.914 -3.202 -10.937 191 HD11 LEU 453 HD11 LEU 453 -2.327 -4.964 -11.503 192 HD12 LEU 453 HD12 LEU 453 -3.848 -5.193 -12.366 193 HD13 LEU 453 HD13 LEU 453 -3.473 -6.188 -10.958 194 HD21 LEU 453 HD21 LEU 453 -5.977 -4.439 -11.368 195 HD22 LEU 453 HD22 LEU 453 -6.000 -3.723 -9.756 196 HD23 LEU 453 HD23 LEU 453 -5.679 -5.447 -9.952 197 H TYR 454 HN TYR 454 -1.827 -1.926 -6.672 198 HA TYR 454 HA TYR 454 -0.010 -0.554 -8.582 199 HB2 TYR 454 HB2 TYR 454 -0.636 0.198 -5.722 200 HB3 TYR 454 HB1 TYR 454 0.359 1.112 -6.804 201 HD1 TYR 454 HD1 TYR 454 -2.847 0.159 -5.820 202 HD2 TYR 454 HD2 TYR 454 -0.746 2.600 -8.523 203 HE1 TYR 454 HE1 TYR 454 -4.873 1.344 -6.155 204 HE2 TYR 454 HE2 TYR 454 -2.809 3.897 -8.960 205 HH TYR 454 HH TYR 454 -5.443 3.856 -6.999 206 H SER 455 HN SER 455 2.222 -0.857 -8.161 207 HA SER 455 HA SER 455 2.841 -2.074 -5.557 208 HB2 SER 455 HB2 SER 455 4.988 -2.880 -6.669 209 HB3 SER 455 HB1 SER 455 3.498 -3.711 -7.112 210 HG SER 455 HG SER 455 5.025 -1.860 -8.603 211 H THR 456 HN THR 456 3.171 -0.268 -4.440 212 HA THR 456 HA THR 456 5.307 1.502 -5.420 213 HB THR 456 HB THR 456 3.282 2.774 -5.552 214 HG1 THR 456 HG1 THR 456 4.109 3.840 -3.134 215 HG21 THR 456 HG21 THR 456 1.917 1.402 -4.019 216 HG22 THR 456 HG22 THR 456 1.777 3.131 -3.695 217 HG23 THR 456 HG23 THR 456 2.778 2.118 -2.656 218 H TRP 457 HN TRP 457 7.038 1.451 -4.250 219 HA TRP 457 HA TRP 457 7.047 0.339 -1.585 220 HB2 TRP 457 HB2 TRP 457 9.312 1.649 -3.111 221 HB3 TRP 457 HB1 TRP 457 9.459 0.625 -1.686 222 HD1 TRP 457 HD1 TRP 457 8.769 0.448 -5.442 223 HE1 TRP 457 HE1 TRP 457 9.043 -1.984 -6.227 224 HE3 TRP 457 HE3 TRP 457 9.352 -1.805 -0.891 225 HZ2 TRP 457 HZ2 TRP 457 9.457 -4.524 -5.070 226 HZ3 TRP 457 HZ3 TRP 457 9.683 -4.243 -0.819 227 HH2 TRP 457 HH2 TRP 457 9.732 -5.573 -2.866 228 H GLU 458 HN GLU 458 6.299 3.278 -2.840 229 HA GLU 458 HA GLU 458 7.291 4.796 -0.532 230 HB2 GLU 458 HB2 GLU 458 7.707 5.617 -2.896 231 HB3 GLU 458 HB1 GLU 458 5.973 5.878 -3.027 232 HG2 GLU 458 HG2 GLU 458 7.053 7.950 -2.492 233 HG3 GLU 458 HG1 GLU 458 6.087 7.424 -1.114 234 H LYS 459 HN LYS 459 5.877 5.890 0.803 235 HA LYS 459 HA LYS 459 3.247 4.709 1.039 236 HB2 LYS 459 HB2 LYS 459 4.867 5.222 2.943 237 HB3 LYS 459 HB1 LYS 459 4.433 6.910 2.730 238 HG2 LYS 459 HG2 LYS 459 2.075 6.323 3.190 239 HG3 LYS 459 HG1 LYS 459 2.587 4.662 3.502 240 HD2 LYS 459 HD2 LYS 459 4.130 5.557 5.260 241 HD3 LYS 459 HD1 LYS 459 3.385 7.139 5.023 242 HE2 LYS 459 HE2 LYS 459 2.310 6.140 6.888 243 HE3 LYS 459 HE1 LYS 459 1.176 6.062 5.540 244 HZ1 LYS 459 HZ1 LYS 459 2.121 3.731 5.190 245 HZ2 LYS 459 HZ2 LYS 459 1.078 3.963 6.497 246 HZ3 LYS 459 HZ3 LYS 459 2.752 3.874 6.754 247 HA PRO 460 HA PRO 460 1.380 8.128 -1.183 248 HB2 PRO 460 HB2 PRO 460 -1.126 7.132 -1.222 249 HB3 PRO 460 HB1 PRO 460 0.152 6.518 -2.277 250 HG2 PRO 460 HG2 PRO 460 -0.933 5.367 0.254 251 HG3 PRO 460 HG1 PRO 460 -0.441 4.543 -1.236 252 HD2 PRO 460 HD2 PRO 460 1.115 4.706 1.028 253 HD3 PRO 460 HD1 PRO 460 1.755 4.467 -0.609 254 H GLN 461 HN GLN 461 -0.298 9.715 -0.733 255 HA GLN 461 HA GLN 461 -0.022 10.533 1.990 256 HB2 GLN 461 HB2 GLN 461 -1.580 11.848 -0.236 257 HB3 GLN 461 HB1 GLN 461 -1.085 12.601 1.276 258 HG2 GLN 461 HG2 GLN 461 0.838 11.505 -0.763 259 HG3 GLN 461 HG1 GLN 461 0.320 13.187 -0.701 260 HE21 GLN 461 HE21 GLN 461 2.972 11.931 -0.374 261 HE22 GLN 461 HE22 GLN 461 3.564 12.514 1.146 262 H GLU 462 HN GLU 462 -2.389 8.685 0.407 263 HA GLU 462 HA GLU 462 -4.488 9.394 2.282 264 HB2 GLU 462 HB2 GLU 462 -5.599 7.296 1.216 265 HB3 GLU 462 HB1 GLU 462 -5.469 8.779 0.289 266 HG2 GLU 462 HG2 GLU 462 -3.353 6.688 0.049 267 HG3 GLU 462 HG1 GLU 462 -4.887 6.502 -0.804 268 H LEU 463 HN LEU 463 -1.779 7.412 2.302 269 HA LEU 463 HA LEU 463 -2.893 5.698 4.409 270 HB2 LEU 463 HB2 LEU 463 -0.363 5.552 2.780 271 HB3 LEU 463 HB1 LEU 463 -0.591 4.581 4.221 272 HG LEU 463 HG LEU 463 -2.381 4.472 1.785 273 HD11 LEU 463 HD11 LEU 463 -0.225 2.583 2.716 274 HD12 LEU 463 HD12 LEU 463 -0.145 3.625 1.296 275 HD13 LEU 463 HD13 LEU 463 -1.322 2.314 1.362 276 HD21 LEU 463 HD21 LEU 463 -3.280 2.477 2.832 277 HD22 LEU 463 HD22 LEU 463 -3.489 3.874 3.889 278 HD23 LEU 463 HD23 LEU 463 -2.210 2.701 4.215 279 H LYS 464 HN LYS 464 -1.557 8.625 4.130 280 HA LYS 464 HA LYS 464 0.264 8.427 6.407 281 HB2 LYS 464 HB2 LYS 464 1.131 9.570 4.452 282 HB3 LYS 464 HB1 LYS 464 -0.257 10.648 4.422 283 HG2 LYS 464 HG2 LYS 464 0.449 11.689 6.470 284 HG3 LYS 464 HG1 LYS 464 1.765 10.529 6.647 285 HD2 LYS 464 HD2 LYS 464 2.841 11.376 4.658 286 HD3 LYS 464 HD1 LYS 464 1.479 12.450 4.338 287 HE2 LYS 464 HE2 LYS 464 3.459 13.569 5.367 288 HE3 LYS 464 HE1 LYS 464 1.962 13.758 6.276 289 HZ1 LYS 464 HZ1 LYS 464 3.947 13.225 7.647 290 HZ2 LYS 464 HZ2 LYS 464 4.008 11.700 6.905 291 HZ3 LYS 464 HZ3 LYS 464 2.663 12.139 7.837 Start of MODEL 14 1 H1 GLY 428 HT1 GLY 428 -15.756 9.907 -0.184 2 H2 GLY 428 HT2 GLY 428 -16.244 11.276 0.684 3 H3 GLY 428 HT3 GLY 428 -17.058 10.840 -0.740 4 HA2 GLY 428 HA1 GLY 428 -18.398 10.212 1.127 5 HA3 GLY 428 HA2 GLY 428 -17.794 8.773 0.317 6 H ALA 429 HN ALA 429 -15.354 8.358 1.208 7 HA ALA 429 HA ALA 429 -15.679 8.164 4.131 8 HB1 ALA 429 HB1 ALA 429 -14.125 6.349 2.287 9 HB2 ALA 429 HB2 ALA 429 -15.702 5.995 2.996 10 HB3 ALA 429 HB3 ALA 429 -14.284 6.164 4.032 11 H THR 430 HN THR 430 -13.867 8.525 5.450 12 HA THR 430 HA THR 430 -12.078 10.527 4.460 13 HB THR 430 HB THR 430 -11.969 9.078 7.114 14 HG1 THR 430 HG1 THR 430 -13.185 10.929 7.850 15 HG21 THR 430 HG21 THR 430 -9.933 10.331 6.581 16 HG22 THR 430 HG22 THR 430 -10.825 11.106 7.892 17 HG23 THR 430 HG23 THR 430 -10.897 11.773 6.260 18 H ALA 431 HN ALA 431 -11.618 7.208 5.687 19 HA ALA 431 HA ALA 431 -8.925 7.214 4.508 20 HB1 ALA 431 HB1 ALA 431 -10.151 5.300 6.492 21 HB2 ALA 431 HB2 ALA 431 -9.057 6.627 6.881 22 HB3 ALA 431 HB3 ALA 431 -8.485 5.267 5.914 23 H VAL 432 HN VAL 432 -8.379 5.856 2.890 24 HA VAL 432 HA VAL 432 -10.542 4.449 1.559 25 HB VAL 432 HB VAL 432 -8.873 4.067 -0.257 26 HG11 VAL 432 HG11 VAL 432 -10.365 5.982 -0.333 27 HG12 VAL 432 HG12 VAL 432 -8.785 6.412 -0.990 28 HG13 VAL 432 HG13 VAL 432 -9.233 6.926 0.637 29 HG21 VAL 432 HG21 VAL 432 -7.087 5.765 1.486 30 HG22 VAL 432 HG22 VAL 432 -6.748 5.301 -0.181 31 HG23 VAL 432 HG23 VAL 432 -6.838 4.068 1.077 32 H SER 433 HN SER 433 -10.568 2.260 1.103 33 HA SER 433 HA SER 433 -8.773 0.634 2.797 34 HB2 SER 433 HB2 SER 433 -11.190 0.630 3.461 35 HB3 SER 433 HB1 SER 433 -11.582 -0.063 1.888 36 HG SER 433 HG SER 433 -9.721 -1.605 2.801 37 H GLU 434 HN GLU 434 -9.143 1.556 -0.254 38 HA GLU 434 HA GLU 434 -9.211 -0.856 -1.734 39 HB2 GLU 434 HB2 GLU 434 -8.305 0.569 -3.577 40 HB3 GLU 434 HB1 GLU 434 -9.764 1.160 -2.833 41 HG2 GLU 434 HG2 GLU 434 -8.509 2.783 -1.550 42 HG3 GLU 434 HG1 GLU 434 -7.007 2.169 -2.242 43 H TRP 435 HN TRP 435 -6.760 0.589 0.094 44 HA TRP 435 HA TRP 435 -4.615 -0.361 -1.608 45 HB2 TRP 435 HB2 TRP 435 -4.780 1.392 0.819 46 HB3 TRP 435 HB1 TRP 435 -3.233 0.721 0.308 47 HD1 TRP 435 HD1 TRP 435 -5.967 3.155 -0.877 48 HE1 TRP 435 HE1 TRP 435 -4.949 4.657 -2.721 49 HE3 TRP 435 HE3 TRP 435 -1.462 0.829 -1.391 50 HZ2 TRP 435 HZ2 TRP 435 -2.525 4.809 -4.196 51 HZ3 TRP 435 HZ3 TRP 435 0.148 1.694 -3.027 52 HH2 TRP 435 HH2 TRP 435 -0.368 3.639 -4.397 53 H THR 436 HN THR 436 -3.106 -1.893 -0.994 54 HA THR 436 HA THR 436 -3.832 -3.316 1.336 55 HB THR 436 HB THR 436 -3.538 -4.473 -1.335 56 HG1 THR 436 HG1 THR 436 -5.045 -4.878 1.012 57 HG21 THR 436 HG21 THR 436 -1.576 -5.454 -0.235 58 HG22 THR 436 HG22 THR 436 -2.834 -6.662 -0.490 59 HG23 THR 436 HG23 THR 436 -2.588 -5.972 1.112 60 H GLU 437 HN GLU 437 -2.099 -4.061 2.620 61 HA GLU 437 HA GLU 437 0.529 -3.254 1.557 62 HB2 GLU 437 HB2 GLU 437 1.338 -2.928 3.798 63 HB3 GLU 437 HB1 GLU 437 -0.142 -2.011 3.581 64 HG2 GLU 437 HG2 GLU 437 -0.047 -4.692 4.872 65 HG3 GLU 437 HG1 GLU 437 0.143 -3.198 5.775 66 H TYR 438 HN TYR 438 2.101 -4.664 1.346 67 HA TYR 438 HA TYR 438 1.769 -7.380 2.430 68 HB2 TYR 438 HB2 TYR 438 2.537 -6.596 -0.364 69 HB3 TYR 438 HB1 TYR 438 2.999 -8.141 0.309 70 HD1 TYR 438 HD1 TYR 438 0.669 -9.096 1.693 71 HD2 TYR 438 HD2 TYR 438 0.901 -6.918 -1.951 72 HE1 TYR 438 HE1 TYR 438 -1.455 -10.102 0.963 73 HE2 TYR 438 HE2 TYR 438 -1.226 -7.905 -2.688 74 HH TYR 438 HH TYR 438 -2.575 -9.883 -2.252 75 H LYS 439 HN LYS 439 3.659 -8.475 2.907 76 HA LYS 439 HA LYS 439 6.103 -6.839 2.834 77 HB2 LYS 439 HB2 LYS 439 4.969 -8.444 5.062 78 HB3 LYS 439 HB1 LYS 439 6.709 -8.438 4.852 79 HG2 LYS 439 HG2 LYS 439 6.283 -6.753 6.390 80 HG3 LYS 439 HG1 LYS 439 6.584 -5.935 4.852 81 HD2 LYS 439 HD2 LYS 439 4.675 -4.959 6.048 82 HD3 LYS 439 HD1 LYS 439 4.203 -5.677 4.512 83 HE2 LYS 439 HE2 LYS 439 2.590 -6.216 6.266 84 HE3 LYS 439 HE1 LYS 439 3.397 -7.668 5.676 85 HZ1 LYS 439 HZ1 LYS 439 3.218 -7.656 8.087 86 HZ2 LYS 439 HZ2 LYS 439 4.084 -6.200 8.169 87 HZ3 LYS 439 HZ3 LYS 439 4.846 -7.611 7.610 88 H THR 440 HN THR 440 7.937 -7.734 2.263 89 HA THR 440 HA THR 440 8.052 -10.540 1.467 90 HB THR 440 HB THR 440 10.481 -9.950 0.953 91 HG1 THR 440 HG1 THR 440 11.135 -8.038 1.496 92 HG21 THR 440 HG21 THR 440 9.932 -8.798 -1.139 93 HG22 THR 440 HG22 THR 440 8.322 -8.448 -0.519 94 HG23 THR 440 HG23 THR 440 8.809 -10.116 -0.807 95 H ALA 441 HN ALA 441 9.536 -11.996 2.490 96 HA ALA 441 HA ALA 441 9.480 -12.143 5.208 97 HB1 ALA 441 HB1 ALA 441 10.150 -13.969 3.726 98 HB2 ALA 441 HB2 ALA 441 11.259 -13.772 5.083 99 HB3 ALA 441 HB3 ALA 441 11.712 -13.188 3.482 100 H ASP 442 HN ASP 442 11.716 -10.145 3.378 101 HA ASP 442 HA ASP 442 13.478 -9.767 5.646 102 HB2 ASP 442 HB2 ASP 442 14.769 -8.312 4.233 103 HB3 ASP 442 HB1 ASP 442 14.336 -9.746 3.311 104 H GLY 443 HN GLY 443 10.507 -8.540 4.795 105 HA2 GLY 443 HA2 GLY 443 9.243 -7.247 6.298 106 HA3 GLY 443 HA1 GLY 443 10.742 -6.593 6.961 107 H LYS 444 HN LYS 444 10.214 -6.720 3.536 108 HA LYS 444 HA LYS 444 10.123 -3.862 3.326 109 HB2 LYS 444 HB2 LYS 444 9.798 -6.090 1.329 110 HB3 LYS 444 HB1 LYS 444 9.556 -4.405 0.896 111 HG2 LYS 444 HG2 LYS 444 11.814 -3.953 1.745 112 HG3 LYS 444 HG1 LYS 444 12.064 -5.684 1.913 113 HD2 LYS 444 HD2 LYS 444 11.622 -5.953 -0.492 114 HD3 LYS 444 HD1 LYS 444 11.429 -4.207 -0.644 115 HE2 LYS 444 HE2 LYS 444 13.634 -4.747 -1.360 116 HE3 LYS 444 HE1 LYS 444 13.765 -3.955 0.208 117 HZ1 LYS 444 HZ1 LYS 444 13.930 -6.196 1.219 118 HZ2 LYS 444 HZ2 LYS 444 15.213 -5.835 0.165 119 HZ3 LYS 444 HZ3 LYS 444 13.969 -6.864 -0.340 120 H THR 445 HN THR 445 8.326 -2.880 4.096 121 HA THR 445 HA THR 445 5.750 -4.089 3.464 122 HB THR 445 HB THR 445 6.280 -1.485 4.931 123 HG1 THR 445 HG1 THR 445 6.964 -3.835 5.751 124 HG21 THR 445 HG21 THR 445 4.016 -1.827 5.817 125 HG22 THR 445 HG22 THR 445 3.856 -3.291 4.848 126 HG23 THR 445 HG23 THR 445 4.004 -1.722 4.058 127 H TYR 446 HN TYR 446 5.893 -3.828 1.198 128 HA TYR 446 HA TYR 446 5.575 -1.090 0.206 129 HB2 TYR 446 HB2 TYR 446 5.611 -2.145 -2.046 130 HB3 TYR 446 HB1 TYR 446 7.055 -2.494 -1.107 131 HD1 TYR 446 HD2 TYR 446 7.192 -4.754 0.064 132 HD2 TYR 446 HD1 TYR 446 4.328 -3.882 -2.957 133 HE1 TYR 446 HE2 TYR 446 6.864 -7.152 -0.303 134 HE2 TYR 446 HE1 TYR 446 3.994 -6.285 -3.343 135 HH TYR 446 HH TYR 446 5.025 -8.367 -3.004 136 H TYR 447 HN TYR 447 3.705 -0.417 -0.880 137 HA TYR 447 HA TYR 447 1.361 -1.871 0.065 138 HB2 TYR 447 HB2 TYR 447 1.615 0.979 -0.908 139 HB3 TYR 447 HB1 TYR 447 0.117 0.225 -0.355 140 HD1 TYR 447 HD1 TYR 447 0.083 -0.752 2.013 141 HD2 TYR 447 HD2 TYR 447 3.065 1.961 0.655 142 HE1 TYR 447 HE1 TYR 447 0.657 -0.243 4.342 143 HE2 TYR 447 HE2 TYR 447 3.653 2.486 2.979 144 HH TYR 447 HH TYR 447 2.302 0.683 5.679 145 H TYR 448 HN TYR 448 0.764 -3.330 -1.258 146 HA TYR 448 HA TYR 448 0.458 -2.773 -4.103 147 HB2 TYR 448 HB2 TYR 448 1.510 -4.916 -3.265 148 HB3 TYR 448 HB1 TYR 448 -0.056 -5.342 -2.591 149 HD1 TYR 448 HD2 TYR 448 1.817 -4.793 -5.711 150 HD2 TYR 448 HD1 TYR 448 -1.806 -6.193 -3.977 151 HE1 TYR 448 HE2 TYR 448 1.201 -5.831 -7.851 152 HE2 TYR 448 HE1 TYR 448 -2.430 -7.242 -6.112 153 HH TYR 448 HH TYR 448 -0.219 -7.643 -8.670 154 H ASN 449 HN ASN 449 -1.410 -1.736 -4.546 155 HA ASN 449 HA ASN 449 -3.738 -2.201 -2.857 156 HB2 ASN 449 HB2 ASN 449 -3.371 -0.032 -2.996 157 HB3 ASN 449 HB1 ASN 449 -2.979 -0.063 -4.707 158 HD21 ASN 449 HD21 ASN 449 -4.710 1.800 -3.534 159 HD22 ASN 449 HD22 ASN 449 -6.304 1.569 -4.160 160 H ASN 450 HN ASN 450 -5.863 -2.595 -3.692 161 HA ASN 450 HA ASN 450 -5.279 -4.898 -5.429 162 HB2 ASN 450 HB2 ASN 450 -6.978 -6.084 -4.011 163 HB3 ASN 450 HB1 ASN 450 -5.492 -5.609 -3.199 164 HD21 ASN 450 HD21 ASN 450 -5.632 -4.181 -1.363 165 HD22 ASN 450 HD22 ASN 450 -7.166 -3.548 -0.849 166 H ARG 451 HN ARG 451 -6.968 -2.090 -5.561 167 HA ARG 451 HA ARG 451 -9.071 -3.337 -7.204 168 HB2 ARG 451 HB2 ARG 451 -10.132 -1.113 -7.286 169 HB3 ARG 451 HB1 ARG 451 -9.958 -1.706 -5.642 170 HG2 ARG 451 HG2 ARG 451 -8.079 -0.248 -5.270 171 HG3 ARG 451 HG1 ARG 451 -8.098 0.261 -6.958 172 HD2 ARG 451 HD2 ARG 451 -10.438 0.648 -5.113 173 HD3 ARG 451 HD1 ARG 451 -9.150 1.839 -5.273 174 HE ARG 451 HE ARG 451 -10.914 0.992 -7.494 175 HH11 ARG 451 HH11 ARG 451 -8.914 3.375 -5.866 176 HH12 ARG 451 HH12 ARG 451 -9.404 4.678 -6.906 177 HH21 ARG 451 HH21 ARG 451 -11.572 2.734 -8.862 178 HH22 ARG 451 HH22 ARG 451 -10.890 4.317 -8.609 179 H THR 452 HN THR 452 -6.178 -1.530 -7.323 180 HA THR 452 HA THR 452 -6.461 -1.229 -10.235 181 HB THR 452 HB THR 452 -5.052 0.730 -8.419 182 HG1 THR 452 HG1 THR 452 -6.995 2.044 -8.970 183 HG21 THR 452 HG21 THR 452 -5.161 2.223 -10.333 184 HG22 THR 452 HG22 THR 452 -5.980 0.978 -11.277 185 HG23 THR 452 HG23 THR 452 -4.313 0.736 -10.754 186 H LEU 453 HN LEU 453 -4.678 -2.284 -7.566 187 HA LEU 453 HA LEU 453 -2.794 -3.306 -7.199 188 HB2 LEU 453 HB2 LEU 453 -1.829 -4.786 -8.996 189 HB3 LEU 453 HB1 LEU 453 -3.450 -5.098 -8.396 190 HG LEU 453 HG LEU 453 -4.149 -3.730 -10.552 191 HD11 LEU 453 HD11 LEU 453 -1.447 -4.816 -11.332 192 HD12 LEU 453 HD12 LEU 453 -1.891 -3.112 -11.229 193 HD13 LEU 453 HD13 LEU 453 -2.653 -4.149 -12.435 194 HD21 LEU 453 HD21 LEU 453 -3.152 -6.571 -10.660 195 HD22 LEU 453 HD22 LEU 453 -4.323 -5.835 -11.755 196 HD23 LEU 453 HD23 LEU 453 -4.725 -6.053 -10.052 197 H TYR 454 HN TYR 454 -1.669 -1.829 -6.540 198 HA TYR 454 HA TYR 454 0.266 -0.440 -8.308 199 HB2 TYR 454 HB2 TYR 454 -0.494 0.198 -5.453 200 HB3 TYR 454 HB1 TYR 454 0.439 1.208 -6.508 201 HD1 TYR 454 HD1 TYR 454 -2.794 -0.196 -5.888 202 HD2 TYR 454 HD2 TYR 454 -0.685 2.849 -7.903 203 HE1 TYR 454 HE1 TYR 454 -4.889 0.892 -6.273 204 HE2 TYR 454 HE2 TYR 454 -2.814 4.019 -8.368 205 HH TYR 454 HH TYR 454 -5.710 3.220 -6.786 206 H SER 455 HN SER 455 2.469 -0.796 -7.906 207 HA SER 455 HA SER 455 3.091 -2.001 -5.294 208 HB2 SER 455 HB2 SER 455 5.330 -2.620 -6.408 209 HB3 SER 455 HB1 SER 455 3.908 -3.590 -6.811 210 HG SER 455 HG SER 455 4.235 -1.418 -8.454 211 H THR 456 HN THR 456 3.386 -0.227 -4.081 212 HA THR 456 HA THR 456 5.509 1.595 -4.970 213 HB THR 456 HB THR 456 3.470 2.842 -5.151 214 HG1 THR 456 HG1 THR 456 4.107 4.008 -2.782 215 HG21 THR 456 HG21 THR 456 1.937 3.177 -3.282 216 HG22 THR 456 HG22 THR 456 2.901 2.088 -2.284 217 HG23 THR 456 HG23 THR 456 2.054 1.467 -3.701 218 H TRP 457 HN TRP 457 7.170 1.645 -3.708 219 HA TRP 457 HA TRP 457 7.155 0.404 -1.110 220 HB2 TRP 457 HB2 TRP 457 9.404 1.985 -2.372 221 HB3 TRP 457 HB1 TRP 457 9.528 0.752 -1.122 222 HD1 TRP 457 HD1 TRP 457 9.253 1.188 -4.883 223 HE1 TRP 457 HE1 TRP 457 9.616 -1.085 -6.034 224 HE3 TRP 457 HE3 TRP 457 9.206 -1.820 -0.751 225 HZ2 TRP 457 HZ2 TRP 457 9.856 -3.794 -5.284 226 HZ3 TRP 457 HZ3 TRP 457 9.510 -4.241 -1.057 227 HH2 TRP 457 HH2 TRP 457 9.829 -5.206 -3.272 228 H GLU 458 HN GLU 458 6.230 3.388 -2.165 229 HA GLU 458 HA GLU 458 6.874 4.659 0.417 230 HB2 GLU 458 HB2 GLU 458 7.417 5.657 -2.047 231 HB3 GLU 458 HB1 GLU 458 5.798 6.293 -1.818 232 HG2 GLU 458 HG2 GLU 458 8.110 6.721 0.062 233 HG3 GLU 458 HG1 GLU 458 7.557 7.871 -1.149 234 H LYS 459 HN LYS 459 5.183 5.447 1.642 235 HA LYS 459 HA LYS 459 2.648 4.203 1.271 236 HB2 LYS 459 HB2 LYS 459 3.592 4.677 3.501 237 HB3 LYS 459 HB1 LYS 459 3.467 6.403 3.183 238 HG2 LYS 459 HG2 LYS 459 1.040 6.215 3.051 239 HG3 LYS 459 HG1 LYS 459 1.153 4.478 3.338 240 HD2 LYS 459 HD2 LYS 459 2.091 6.619 5.245 241 HD3 LYS 459 HD1 LYS 459 0.561 5.751 5.370 242 HE2 LYS 459 HE2 LYS 459 1.802 3.639 5.570 243 HE3 LYS 459 HE1 LYS 459 3.317 4.538 5.500 244 HZ1 LYS 459 HZ1 LYS 459 1.230 4.809 7.597 245 HZ2 LYS 459 HZ2 LYS 459 2.676 5.692 7.531 246 HZ3 LYS 459 HZ3 LYS 459 2.718 4.016 7.771 247 HA PRO 460 HA PRO 460 0.865 7.178 -1.542 248 HB2 PRO 460 HB2 PRO 460 -1.750 6.460 -0.896 249 HB3 PRO 460 HB1 PRO 460 -0.759 5.719 -2.154 250 HG2 PRO 460 HG2 PRO 460 -1.295 4.797 0.628 251 HG3 PRO 460 HG1 PRO 460 -1.122 3.848 -0.858 252 HD2 PRO 460 HD2 PRO 460 0.842 3.978 0.952 253 HD3 PRO 460 HD1 PRO 460 1.191 3.936 -0.790 254 H GLN 461 HN GLN 461 -0.036 9.182 -1.375 255 HA GLN 461 HA GLN 461 0.061 10.464 1.143 256 HB2 GLN 461 HB2 GLN 461 0.611 11.632 -0.915 257 HB3 GLN 461 HB1 GLN 461 -1.021 11.403 -1.518 258 HG2 GLN 461 HG2 GLN 461 -0.695 13.671 -0.763 259 HG3 GLN 461 HG1 GLN 461 -1.882 12.850 0.245 260 HE21 GLN 461 HE21 GLN 461 -1.407 12.416 2.374 261 HE22 GLN 461 HE22 GLN 461 -0.066 13.141 3.199 262 H GLU 462 HN GLU 462 -2.469 8.875 -0.571 263 HA GLU 462 HA GLU 462 -4.548 10.116 1.044 264 HB2 GLU 462 HB2 GLU 462 -6.068 8.567 -0.254 265 HB3 GLU 462 HB1 GLU 462 -5.212 9.776 -1.196 266 HG2 GLU 462 HG2 GLU 462 -4.079 7.028 -0.922 267 HG3 GLU 462 HG1 GLU 462 -5.390 7.340 -2.058 268 H LEU 463 HN LEU 463 -2.357 7.758 1.616 269 HA LEU 463 HA LEU 463 -4.254 6.205 3.256 270 HB2 LEU 463 HB2 LEU 463 -2.825 5.081 1.390 271 HB3 LEU 463 HB1 LEU 463 -1.509 5.237 2.535 272 HG LEU 463 HG LEU 463 -2.908 3.943 4.176 273 HD11 LEU 463 HD11 LEU 463 -5.087 4.327 3.188 274 HD12 LEU 463 HD12 LEU 463 -4.740 2.600 3.280 275 HD13 LEU 463 HD13 LEU 463 -4.602 3.448 1.741 276 HD21 LEU 463 HD21 LEU 463 -2.196 2.573 1.590 277 HD22 LEU 463 HD22 LEU 463 -2.423 1.783 3.151 278 HD23 LEU 463 HD23 LEU 463 -1.089 2.914 2.921 279 H LYS 464 HN LYS 464 -1.789 8.478 3.368 280 HA LYS 464 HA LYS 464 -0.945 7.664 6.048 281 HB2 LYS 464 HB2 LYS 464 0.842 9.358 5.811 282 HB3 LYS 464 HB1 LYS 464 0.905 8.122 4.565 283 HG2 LYS 464 HG2 LYS 464 -0.151 9.677 2.987 284 HG3 LYS 464 HG1 LYS 464 -0.178 10.913 4.245 285 HD2 LYS 464 HD2 LYS 464 1.715 11.277 2.783 286 HD3 LYS 464 HD1 LYS 464 2.282 10.793 4.382 287 HE2 LYS 464 HE2 LYS 464 2.705 8.559 3.623 288 HE3 LYS 464 HE1 LYS 464 1.944 8.893 2.068 289 HZ1 LYS 464 HZ1 LYS 464 4.500 10.007 3.096 290 HZ2 LYS 464 HZ2 LYS 464 3.726 10.576 1.703 291 HZ3 LYS 464 HZ3 LYS 464 4.284 8.977 1.762 Start of MODEL 15 1 H1 GLY 428 HT1 GLY 428 -16.220 8.925 12.203 2 H2 GLY 428 HT2 GLY 428 -15.352 8.754 13.648 3 H3 GLY 428 HT3 GLY 428 -16.745 7.822 13.382 4 HA2 GLY 428 HA1 GLY 428 -14.795 6.472 13.067 5 HA3 GLY 428 HA2 GLY 428 -15.652 6.686 11.547 6 H ALA 429 HN ALA 429 -12.993 5.932 11.628 7 HA ALA 429 HA ALA 429 -11.489 8.364 10.962 8 HB1 ALA 429 HB1 ALA 429 -10.509 5.534 11.348 9 HB2 ALA 429 HB2 ALA 429 -10.433 6.824 12.548 10 HB3 ALA 429 HB3 ALA 429 -9.499 6.950 11.057 11 H THR 430 HN THR 430 -10.726 8.752 8.930 12 HA THR 430 HA THR 430 -11.955 7.328 6.768 13 HB THR 430 HB THR 430 -9.796 9.412 6.485 14 HG1 THR 430 HG1 THR 430 -11.477 10.961 6.598 15 HG21 THR 430 HG21 THR 430 -10.511 8.252 4.445 16 HG22 THR 430 HG22 THR 430 -11.008 9.943 4.419 17 HG23 THR 430 HG23 THR 430 -12.186 8.683 4.783 18 H ALA 431 HN ALA 431 -11.091 5.245 6.897 19 HA ALA 431 HA ALA 431 -8.241 5.018 6.199 20 HB1 ALA 431 HB1 ALA 431 -8.822 3.921 8.310 21 HB2 ALA 431 HB2 ALA 431 -8.327 2.747 7.092 22 HB3 ALA 431 HB3 ALA 431 -10.037 2.954 7.474 23 H VAL 432 HN VAL 432 -7.764 4.305 4.222 24 HA VAL 432 HA VAL 432 -9.910 3.537 2.451 25 HB VAL 432 HB VAL 432 -8.196 3.492 0.683 26 HG11 VAL 432 HG11 VAL 432 -8.129 5.954 2.420 27 HG12 VAL 432 HG12 VAL 432 -9.319 5.583 1.174 28 HG13 VAL 432 HG13 VAL 432 -7.640 5.887 0.726 29 HG21 VAL 432 HG21 VAL 432 -5.902 4.180 1.149 30 HG22 VAL 432 HG22 VAL 432 -6.306 2.706 2.032 31 HG23 VAL 432 HG23 VAL 432 -6.266 4.256 2.874 32 H SER 433 HN SER 433 -10.328 1.541 1.682 33 HA SER 433 HA SER 433 -8.662 -0.649 2.716 34 HB2 SER 433 HB2 SER 433 -11.551 -0.737 1.818 35 HB3 SER 433 HB1 SER 433 -10.643 -2.055 2.560 36 HG SER 433 HG SER 433 -10.348 -0.535 4.380 37 H GLU 434 HN GLU 434 -9.025 1.078 -0.003 38 HA GLU 434 HA GLU 434 -9.156 -1.030 -1.945 39 HB2 GLU 434 HB2 GLU 434 -8.535 0.733 -3.567 40 HB3 GLU 434 HB1 GLU 434 -9.921 1.149 -2.589 41 HG2 GLU 434 HG2 GLU 434 -8.586 2.602 -1.213 42 HG3 GLU 434 HG1 GLU 434 -7.134 2.114 -2.087 43 H TRP 435 HN TRP 435 -6.693 0.557 -0.143 44 HA TRP 435 HA TRP 435 -4.567 -0.341 -1.910 45 HB2 TRP 435 HB2 TRP 435 -4.697 1.384 0.554 46 HB3 TRP 435 HB1 TRP 435 -3.157 0.742 -0.009 47 HD1 TRP 435 HD1 TRP 435 -5.948 3.175 -1.082 48 HE1 TRP 435 HE1 TRP 435 -4.964 4.766 -2.859 49 HE3 TRP 435 HE3 TRP 435 -1.383 0.966 -1.714 50 HZ2 TRP 435 HZ2 TRP 435 -2.564 5.039 -4.333 51 HZ3 TRP 435 HZ3 TRP 435 0.198 1.949 -3.322 52 HH2 TRP 435 HH2 TRP 435 -0.379 3.939 -4.600 53 H THR 436 HN THR 436 -3.086 -1.963 -1.329 54 HA THR 436 HA THR 436 -3.987 -3.393 0.942 55 HB THR 436 HB THR 436 -3.714 -4.495 -1.754 56 HG1 THR 436 HG1 THR 436 -5.313 -4.793 0.545 57 HG21 THR 436 HG21 THR 436 -3.243 -6.757 -0.946 58 HG22 THR 436 HG22 THR 436 -3.008 -6.134 0.688 59 HG23 THR 436 HG23 THR 436 -1.890 -5.679 -0.598 60 H GLU 437 HN GLU 437 -2.311 -3.527 2.456 61 HA GLU 437 HA GLU 437 0.346 -3.040 1.355 62 HB2 GLU 437 HB2 GLU 437 1.123 -2.596 3.565 63 HB3 GLU 437 HB1 GLU 437 -0.370 -1.703 3.312 64 HG2 GLU 437 HG2 GLU 437 -0.134 -4.298 4.769 65 HG3 GLU 437 HG1 GLU 437 -0.145 -2.720 5.549 66 H TYR 438 HN TYR 438 1.875 -4.456 1.162 67 HA TYR 438 HA TYR 438 1.511 -7.111 2.363 68 HB2 TYR 438 HB2 TYR 438 2.629 -6.378 -0.338 69 HB3 TYR 438 HB1 TYR 438 2.931 -7.934 0.405 70 HD1 TYR 438 HD1 TYR 438 0.437 -8.828 1.449 71 HD2 TYR 438 HD2 TYR 438 1.174 -6.594 -2.100 72 HE1 TYR 438 HE1 TYR 438 -1.614 -9.746 0.450 73 HE2 TYR 438 HE2 TYR 438 -0.879 -7.500 -3.105 74 HH TYR 438 HH TYR 438 -2.326 -9.518 -2.844 75 H LYS 439 HN LYS 439 3.368 -8.174 3.077 76 HA LYS 439 HA LYS 439 5.771 -6.488 3.231 77 HB2 LYS 439 HB2 LYS 439 4.452 -8.088 5.372 78 HB3 LYS 439 HB1 LYS 439 6.202 -8.000 5.346 79 HG2 LYS 439 HG2 LYS 439 5.449 -6.315 6.806 80 HG3 LYS 439 HG1 LYS 439 6.031 -5.537 5.330 81 HD2 LYS 439 HD2 LYS 439 3.926 -4.550 6.156 82 HD3 LYS 439 HD1 LYS 439 3.771 -5.261 4.551 83 HE2 LYS 439 HE2 LYS 439 2.736 -7.244 5.497 84 HE3 LYS 439 HE1 LYS 439 2.964 -6.611 7.125 85 HZ1 LYS 439 HZ1 LYS 439 1.412 -4.877 6.698 86 HZ2 LYS 439 HZ2 LYS 439 0.685 -6.331 6.217 87 HZ3 LYS 439 HZ3 LYS 439 1.310 -5.278 5.055 88 H THR 440 HN THR 440 7.682 -7.391 2.962 89 HA THR 440 HA THR 440 7.863 -10.164 2.071 90 HB THR 440 HB THR 440 10.236 -9.695 1.661 91 HG1 THR 440 HG1 THR 440 11.183 -8.003 2.508 92 HG21 THR 440 HG21 THR 440 10.015 -8.079 -0.133 93 HG22 THR 440 HG22 THR 440 8.516 -7.470 0.565 94 HG23 THR 440 HG23 THR 440 8.582 -9.106 -0.087 95 H ALA 441 HN ALA 441 9.147 -11.700 3.230 96 HA ALA 441 HA ALA 441 8.904 -11.828 5.944 97 HB1 ALA 441 HB1 ALA 441 10.630 -13.531 5.935 98 HB2 ALA 441 HB2 ALA 441 11.203 -12.972 4.364 99 HB3 ALA 441 HB3 ALA 441 9.601 -13.695 4.511 100 H ASP 442 HN ASP 442 11.289 -9.904 4.232 101 HA ASP 442 HA ASP 442 12.841 -9.468 6.661 102 HB2 ASP 442 HB2 ASP 442 14.330 -8.108 5.289 103 HB3 ASP 442 HB1 ASP 442 14.051 -9.671 4.534 104 H GLY 443 HN GLY 443 10.046 -8.236 5.395 105 HA2 GLY 443 HA2 GLY 443 8.678 -6.828 6.691 106 HA3 GLY 443 HA1 GLY 443 10.126 -6.153 7.439 107 H LYS 444 HN LYS 444 9.922 -6.490 3.995 108 HA LYS 444 HA LYS 444 9.889 -3.666 3.566 109 HB2 LYS 444 HB2 LYS 444 9.557 -6.030 1.727 110 HB3 LYS 444 HB1 LYS 444 9.414 -4.373 1.162 111 HG2 LYS 444 HG2 LYS 444 11.647 -3.949 2.062 112 HG3 LYS 444 HG1 LYS 444 11.812 -5.664 2.407 113 HD2 LYS 444 HD2 LYS 444 11.449 -6.144 0.009 114 HD3 LYS 444 HD1 LYS 444 11.384 -4.410 -0.307 115 HE2 LYS 444 HE2 LYS 444 13.578 -5.203 -0.848 116 HE3 LYS 444 HE1 LYS 444 13.679 -4.207 0.602 117 HZ1 LYS 444 HZ1 LYS 444 13.702 -6.253 1.933 118 HZ2 LYS 444 HZ2 LYS 444 15.010 -6.181 0.850 119 HZ3 LYS 444 HZ3 LYS 444 13.680 -7.176 0.507 120 H THR 445 HN THR 445 8.103 -2.571 4.151 121 HA THR 445 HA THR 445 5.520 -3.767 3.515 122 HB THR 445 HB THR 445 6.063 -1.095 4.845 123 HG1 THR 445 HG1 THR 445 6.771 -3.277 5.862 124 HG21 THR 445 HG21 THR 445 3.601 -2.849 4.793 125 HG22 THR 445 HG22 THR 445 3.808 -1.338 3.909 126 HG23 THR 445 HG23 THR 445 3.767 -1.330 5.673 127 H TYR 446 HN TYR 446 5.759 -3.663 1.253 128 HA TYR 446 HA TYR 446 5.510 -0.984 0.085 129 HB2 TYR 446 HB2 TYR 446 5.738 -2.130 -2.095 130 HB3 TYR 446 HB1 TYR 446 7.102 -2.437 -1.031 131 HD1 TYR 446 HD2 TYR 446 6.910 -4.658 0.387 132 HD2 TYR 446 HD1 TYR 446 4.777 -3.900 -3.212 133 HE1 TYR 446 HE2 TYR 446 6.621 -7.072 0.062 134 HE2 TYR 446 HE1 TYR 446 4.483 -6.314 -3.556 135 HH TYR 446 HH TYR 446 5.770 -8.466 -2.782 136 H TYR 447 HN TYR 447 3.728 -0.400 -1.177 137 HA TYR 447 HA TYR 447 1.316 -1.784 -0.279 138 HB2 TYR 447 HB2 TYR 447 1.663 1.014 -1.371 139 HB3 TYR 447 HB1 TYR 447 0.141 0.315 -0.821 140 HD1 TYR 447 HD1 TYR 447 0.123 -0.606 1.615 141 HD2 TYR 447 HD2 TYR 447 2.973 2.194 0.157 142 HE1 TYR 447 HE1 TYR 447 0.593 0.095 3.920 143 HE2 TYR 447 HE2 TYR 447 3.458 2.906 2.457 144 HH TYR 447 HH TYR 447 2.152 1.223 5.231 145 H TYR 448 HN TYR 448 0.373 -3.089 -1.568 146 HA TYR 448 HA TYR 448 0.283 -2.531 -4.453 147 HB2 TYR 448 HB2 TYR 448 1.454 -4.655 -3.806 148 HB3 TYR 448 HB1 TYR 448 -0.043 -5.210 -3.069 149 HD1 TYR 448 HD2 TYR 448 -1.930 -5.917 -4.462 150 HD2 TYR 448 HD1 TYR 448 1.715 -4.583 -6.211 151 HE1 TYR 448 HE2 TYR 448 -2.622 -6.866 -6.622 152 HE2 TYR 448 HE1 TYR 448 1.033 -5.529 -8.372 153 HH TYR 448 HH TYR 448 -2.169 -6.677 -8.957 154 H ASN 449 HN ASN 449 -1.621 -1.596 -4.882 155 HA ASN 449 HA ASN 449 -3.908 -2.098 -3.142 156 HB2 ASN 449 HB2 ASN 449 -3.546 0.072 -3.243 157 HB3 ASN 449 HB1 ASN 449 -3.158 0.070 -4.953 158 HD21 ASN 449 HD21 ASN 449 -4.931 1.862 -3.595 159 HD22 ASN 449 HD22 ASN 449 -6.505 1.679 -4.284 160 H ASN 450 HN ASN 450 -6.045 -2.485 -3.919 161 HA ASN 450 HA ASN 450 -5.557 -4.690 -5.802 162 HB2 ASN 450 HB2 ASN 450 -7.204 -5.954 -4.437 163 HB3 ASN 450 HB1 ASN 450 -5.748 -5.474 -3.576 164 HD21 ASN 450 HD21 ASN 450 -5.961 -4.132 -1.678 165 HD22 ASN 450 HD22 ASN 450 -7.527 -3.566 -1.170 166 H ARG 451 HN ARG 451 -7.211 -1.846 -5.727 167 HA ARG 451 HA ARG 451 -9.368 -2.960 -7.392 168 HB2 ARG 451 HB2 ARG 451 -10.378 -0.714 -7.333 169 HB3 ARG 451 HB1 ARG 451 -10.154 -1.376 -5.718 170 HG2 ARG 451 HG2 ARG 451 -8.240 0.024 -5.353 171 HG3 ARG 451 HG1 ARG 451 -8.282 0.584 -7.024 172 HD2 ARG 451 HD2 ARG 451 -10.516 1.007 -5.054 173 HD3 ARG 451 HD1 ARG 451 -9.233 2.176 -5.340 174 HE ARG 451 HE ARG 451 -10.846 1.297 -7.624 175 HH11 ARG 451 HH11 ARG 451 -9.917 3.789 -5.347 176 HH12 ARG 451 HH12 ARG 451 -10.762 5.057 -6.182 177 HH21 ARG 451 HH21 ARG 451 -11.932 2.968 -8.757 178 HH22 ARG 451 HH22 ARG 451 -11.891 4.596 -8.137 179 H THR 452 HN THR 452 -6.475 -1.110 -7.469 180 HA THR 452 HA THR 452 -6.775 -0.740 -10.374 181 HB THR 452 HB THR 452 -5.358 1.162 -8.505 182 HG1 THR 452 HG1 THR 452 -7.197 2.303 -8.368 183 HG21 THR 452 HG21 THR 452 -4.627 1.236 -10.839 184 HG22 THR 452 HG22 THR 452 -5.474 2.709 -10.369 185 HG23 THR 452 HG23 THR 452 -6.295 1.494 -11.349 186 H LEU 453 HN LEU 453 -5.042 -2.024 -7.825 187 HA LEU 453 HA LEU 453 -3.135 -3.062 -7.529 188 HB2 LEU 453 HB2 LEU 453 -2.233 -4.405 -9.496 189 HB3 LEU 453 HB1 LEU 453 -3.801 -4.784 -8.793 190 HG LEU 453 HG LEU 453 -3.722 -3.010 -11.207 191 HD11 LEU 453 HD11 LEU 453 -3.371 -6.004 -11.284 192 HD12 LEU 453 HD12 LEU 453 -2.173 -4.809 -11.778 193 HD13 LEU 453 HD13 LEU 453 -3.685 -4.967 -12.674 194 HD21 LEU 453 HD21 LEU 453 -5.838 -3.512 -10.065 195 HD22 LEU 453 HD22 LEU 453 -5.554 -5.236 -10.308 196 HD23 LEU 453 HD23 LEU 453 -5.806 -4.180 -11.697 197 H TYR 454 HN TYR 454 -1.934 -1.635 -6.838 198 HA TYR 454 HA TYR 454 -0.006 -0.232 -8.605 199 HB2 TYR 454 HB2 TYR 454 -0.676 0.317 -5.707 200 HB3 TYR 454 HB1 TYR 454 0.271 1.333 -6.741 201 HD1 TYR 454 HD2 TYR 454 -2.982 0.012 -6.111 202 HD2 TYR 454 HD1 TYR 454 -0.824 3.070 -8.047 203 HE1 TYR 454 HE2 TYR 454 -5.048 1.163 -6.415 204 HE2 TYR 454 HE1 TYR 454 -2.923 4.317 -8.430 205 HH TYR 454 HH TYR 454 -5.266 4.006 -8.501 206 H SER 455 HN SER 455 2.206 -0.558 -8.176 207 HA SER 455 HA SER 455 2.821 -1.888 -5.629 208 HB2 SER 455 HB2 SER 455 4.980 -2.645 -6.833 209 HB3 SER 455 HB1 SER 455 3.484 -3.544 -7.140 210 HG SER 455 HG SER 455 3.574 -2.964 -9.157 211 H THR 456 HN THR 456 3.408 -0.225 -4.393 212 HA THR 456 HA THR 456 5.638 1.377 -5.384 213 HB THR 456 HB THR 456 3.713 2.779 -5.752 214 HG1 THR 456 HG1 THR 456 4.389 4.561 -4.512 215 HG21 THR 456 HG21 THR 456 2.136 1.789 -4.183 216 HG22 THR 456 HG22 THR 456 2.269 3.525 -3.904 217 HG23 THR 456 HG23 THR 456 3.084 2.394 -2.824 218 H TRP 457 HN TRP 457 7.250 1.378 -4.075 219 HA TRP 457 HA TRP 457 7.087 0.501 -1.344 220 HB2 TRP 457 HB2 TRP 457 9.425 1.919 -2.635 221 HB3 TRP 457 HB1 TRP 457 9.458 0.802 -1.277 222 HD1 TRP 457 HD1 TRP 457 9.355 0.901 -5.073 223 HE1 TRP 457 HE1 TRP 457 9.792 -1.459 -5.999 224 HE3 TRP 457 HE3 TRP 457 9.166 -1.725 -0.692 225 HZ2 TRP 457 HZ2 TRP 457 10.018 -4.087 -4.998 226 HZ3 TRP 457 HZ3 TRP 457 9.494 -4.160 -0.766 227 HH2 TRP 457 HH2 TRP 457 9.913 -5.317 -2.875 228 H GLU 458 HN GLU 458 6.154 3.298 -2.735 229 HA GLU 458 HA GLU 458 7.037 5.019 -0.524 230 HB2 GLU 458 HB2 GLU 458 7.509 5.839 -2.802 231 HB3 GLU 458 HB1 GLU 458 5.799 5.747 -3.190 232 HG2 GLU 458 HG2 GLU 458 5.314 7.454 -1.525 233 HG3 GLU 458 HG1 GLU 458 7.022 7.534 -1.097 234 H LYS 459 HN LYS 459 5.646 5.496 1.022 235 HA LYS 459 HA LYS 459 3.029 4.470 1.137 236 HB2 LYS 459 HB2 LYS 459 4.494 5.029 3.089 237 HB3 LYS 459 HB1 LYS 459 4.206 6.733 2.764 238 HG2 LYS 459 HG2 LYS 459 1.735 6.247 3.086 239 HG3 LYS 459 HG1 LYS 459 2.234 4.664 3.692 240 HD2 LYS 459 HD2 LYS 459 3.748 6.848 4.882 241 HD3 LYS 459 HD1 LYS 459 2.016 6.967 5.191 242 HE2 LYS 459 HE2 LYS 459 3.494 4.393 5.611 243 HE3 LYS 459 HE1 LYS 459 3.481 5.647 6.851 244 HZ1 LYS 459 HZ1 LYS 459 1.122 4.259 5.707 245 HZ2 LYS 459 HZ2 LYS 459 1.025 5.577 6.762 246 HZ3 LYS 459 HZ3 LYS 459 1.715 4.119 7.288 247 HA PRO 460 HA PRO 460 1.097 7.626 -1.424 248 HB2 PRO 460 HB2 PRO 460 -1.443 6.648 -1.097 249 HB3 PRO 460 HB1 PRO 460 -0.285 6.018 -2.272 250 HG2 PRO 460 HG2 PRO 460 -1.020 4.965 0.421 251 HG3 PRO 460 HG1 PRO 460 -0.708 4.081 -1.085 252 HD2 PRO 460 HD2 PRO 460 1.120 4.258 0.894 253 HD3 PRO 460 HD1 PRO 460 1.579 4.185 -0.819 254 H GLN 461 HN GLN 461 -0.508 9.292 -1.104 255 HA GLN 461 HA GLN 461 -0.128 10.538 1.401 256 HB2 GLN 461 HB2 GLN 461 -0.399 11.648 -0.856 257 HB3 GLN 461 HB1 GLN 461 -2.122 11.335 -0.717 258 HG2 GLN 461 HG2 GLN 461 -1.583 13.611 -0.077 259 HG3 GLN 461 HG1 GLN 461 -2.218 12.701 1.294 260 HE21 GLN 461 HE21 GLN 461 0.641 14.068 -0.154 261 HE22 GLN 461 HE22 GLN 461 1.616 14.059 1.282 262 H GLU 462 HN GLU 462 -2.759 8.661 0.062 263 HA GLU 462 HA GLU 462 -4.566 9.399 2.211 264 HB2 GLU 462 HB2 GLU 462 -6.060 7.640 1.140 265 HB3 GLU 462 HB1 GLU 462 -5.689 9.055 0.171 266 HG2 GLU 462 HG2 GLU 462 -4.093 6.538 -0.104 267 HG3 GLU 462 HG1 GLU 462 -5.634 6.742 -0.937 268 H LEU 463 HN LEU 463 -1.959 7.488 2.082 269 HA LEU 463 HA LEU 463 -3.053 5.609 4.077 270 HB2 LEU 463 HB2 LEU 463 -1.944 4.971 1.615 271 HB3 LEU 463 HB1 LEU 463 -0.612 4.747 2.732 272 HG LEU 463 HG LEU 463 -3.303 3.436 3.034 273 HD11 LEU 463 HD11 LEU 463 -0.742 2.324 1.916 274 HD12 LEU 463 HD12 LEU 463 -2.219 2.654 1.011 275 HD13 LEU 463 HD13 LEU 463 -2.206 1.400 2.250 276 HD21 LEU 463 HD21 LEU 463 -2.147 1.982 4.619 277 HD22 LEU 463 HD22 LEU 463 -2.095 3.669 5.131 278 HD23 LEU 463 HD23 LEU 463 -0.672 2.925 4.403 279 H LYS 464 HN LYS 464 -1.457 8.304 3.888 280 HA LYS 464 HA LYS 464 1.099 7.762 4.978 281 HB2 LYS 464 HB2 LYS 464 0.511 9.818 3.708 282 HB3 LYS 464 HB1 LYS 464 -0.476 10.339 5.068 283 HG2 LYS 464 HG2 LYS 464 1.471 10.458 6.485 284 HG3 LYS 464 HG1 LYS 464 2.488 9.833 5.188 285 HD2 LYS 464 HD2 LYS 464 1.972 11.806 3.837 286 HD3 LYS 464 HD1 LYS 464 0.951 12.427 5.139 287 HE2 LYS 464 HE2 LYS 464 3.146 13.485 5.168 288 HE3 LYS 464 HE1 LYS 464 2.890 12.519 6.621 289 HZ1 LYS 464 HZ1 LYS 464 4.437 11.648 4.236 290 HZ2 LYS 464 HZ2 LYS 464 4.223 10.760 5.669 291 HZ3 LYS 464 HZ3 LYS 464 5.107 12.204 5.691 Start of MODEL 16 1 H1 GLY 428 HT1 GLY 428 -10.054 10.508 -2.839 2 H2 GLY 428 HT2 GLY 428 -8.657 9.614 -2.482 3 H3 GLY 428 HT3 GLY 428 -9.646 10.178 -1.226 4 HA2 GLY 428 HA1 GLY 428 -10.397 8.153 -3.259 5 HA3 GLY 428 HA2 GLY 428 -9.983 7.817 -1.584 6 H ALA 429 HN ALA 429 -11.613 7.648 -0.214 7 HA ALA 429 HA ALA 429 -13.996 9.249 -0.397 8 HB1 ALA 429 HB1 ALA 429 -15.557 7.387 -0.661 9 HB2 ALA 429 HB2 ALA 429 -14.205 6.278 -0.886 10 HB3 ALA 429 HB3 ALA 429 -14.514 7.543 -2.073 11 H THR 430 HN THR 430 -15.557 8.546 1.330 12 HA THR 430 HA THR 430 -14.352 8.492 3.828 13 HB THR 430 HB THR 430 -17.131 7.474 3.190 14 HG1 THR 430 HG1 THR 430 -17.312 9.475 2.459 15 HG21 THR 430 HG21 THR 430 -15.969 8.704 5.695 16 HG22 THR 430 HG22 THR 430 -16.409 7.008 5.479 17 HG23 THR 430 HG23 THR 430 -17.658 8.254 5.458 18 H ALA 431 HN ALA 431 -13.136 6.949 4.664 19 HA ALA 431 HA ALA 431 -12.368 4.960 5.411 20 HB1 ALA 431 HB1 ALA 431 -15.122 3.898 4.810 21 HB2 ALA 431 HB2 ALA 431 -14.639 4.684 6.313 22 HB3 ALA 431 HB3 ALA 431 -13.907 3.149 5.845 23 H VAL 432 HN VAL 432 -10.899 4.848 3.682 24 HA VAL 432 HA VAL 432 -11.684 3.332 1.320 25 HB VAL 432 HB VAL 432 -9.343 3.726 0.547 26 HG11 VAL 432 HG11 VAL 432 -11.127 5.215 -0.128 27 HG12 VAL 432 HG12 VAL 432 -9.642 6.130 0.126 28 HG13 VAL 432 HG13 VAL 432 -10.922 6.168 1.341 29 HG21 VAL 432 HG21 VAL 432 -9.141 5.436 3.027 30 HG22 VAL 432 HG22 VAL 432 -7.948 5.337 1.730 31 HG23 VAL 432 HG23 VAL 432 -8.272 3.928 2.742 32 H SER 433 HN SER 433 -10.997 1.329 0.799 33 HA SER 433 HA SER 433 -9.172 -0.054 2.626 34 HB2 SER 433 HB2 SER 433 -11.634 -0.492 3.175 35 HB3 SER 433 HB1 SER 433 -11.730 -1.324 1.625 36 HG SER 433 HG SER 433 -9.591 -2.172 3.074 37 H GLU 434 HN GLU 434 -9.417 1.064 -0.264 38 HA GLU 434 HA GLU 434 -9.281 -1.228 -1.961 39 HB2 GLU 434 HB2 GLU 434 -8.607 0.382 -3.708 40 HB3 GLU 434 HB1 GLU 434 -10.073 0.838 -2.876 41 HG2 GLU 434 HG2 GLU 434 -8.948 2.528 -1.645 42 HG3 GLU 434 HG1 GLU 434 -7.385 1.957 -2.233 43 H TRP 435 HN TRP 435 -7.014 0.491 -0.070 44 HA TRP 435 HA TRP 435 -4.761 -0.301 -1.719 45 HB2 TRP 435 HB2 TRP 435 -5.145 1.513 0.632 46 HB3 TRP 435 HB1 TRP 435 -3.533 0.894 0.280 47 HD1 TRP 435 HD1 TRP 435 -6.277 3.112 -1.259 48 HE1 TRP 435 HE1 TRP 435 -5.188 4.582 -3.074 49 HE3 TRP 435 HE3 TRP 435 -1.595 1.082 -1.226 50 HZ2 TRP 435 HZ2 TRP 435 -2.643 4.854 -4.313 51 HZ3 TRP 435 HZ3 TRP 435 0.106 1.991 -2.743 52 HH2 TRP 435 HH2 TRP 435 -0.400 3.835 -4.251 53 H THR 436 HN THR 436 -3.315 -1.879 -1.167 54 HA THR 436 HA THR 436 -4.099 -3.329 1.135 55 HB THR 436 HB THR 436 -3.586 -4.421 -1.535 56 HG1 THR 436 HG1 THR 436 -5.059 -5.414 0.692 57 HG21 THR 436 HG21 THR 436 -1.689 -5.361 -0.296 58 HG22 THR 436 HG22 THR 436 -2.889 -6.599 -0.664 59 HG23 THR 436 HG23 THR 436 -2.790 -5.925 0.961 60 H GLU 437 HN GLU 437 -2.432 -3.923 2.559 61 HA GLU 437 HA GLU 437 0.233 -3.086 1.634 62 HB2 GLU 437 HB2 GLU 437 0.864 -2.654 3.918 63 HB3 GLU 437 HB1 GLU 437 -0.596 -1.755 3.530 64 HG2 GLU 437 HG2 GLU 437 -0.563 -4.362 4.970 65 HG3 GLU 437 HG1 GLU 437 -0.527 -2.808 5.790 66 H TYR 438 HN TYR 438 1.813 -4.460 1.585 67 HA TYR 438 HA TYR 438 1.464 -7.142 2.725 68 HB2 TYR 438 HB2 TYR 438 2.378 -6.436 -0.054 69 HB3 TYR 438 HB1 TYR 438 2.772 -7.971 0.685 70 HD1 TYR 438 HD1 TYR 438 0.248 -8.730 1.979 71 HD2 TYR 438 HD2 TYR 438 0.943 -6.899 -1.799 72 HE1 TYR 438 HE1 TYR 438 -1.832 -9.726 1.118 73 HE2 TYR 438 HE2 TYR 438 -1.140 -7.875 -2.664 74 HH TYR 438 HH TYR 438 -3.496 -9.262 -0.692 75 H LYS 439 HN LYS 439 3.355 -8.166 3.344 76 HA LYS 439 HA LYS 439 5.744 -6.464 3.267 77 HB2 LYS 439 HB2 LYS 439 4.753 -8.269 5.411 78 HB3 LYS 439 HB1 LYS 439 6.488 -8.080 5.191 79 HG2 LYS 439 HG2 LYS 439 6.191 -6.395 6.629 80 HG3 LYS 439 HG1 LYS 439 5.809 -5.540 5.124 81 HD2 LYS 439 HD2 LYS 439 3.413 -5.997 5.511 82 HD3 LYS 439 HD1 LYS 439 3.831 -6.829 7.012 83 HE2 LYS 439 HE2 LYS 439 4.838 -4.714 7.832 84 HE3 LYS 439 HE1 LYS 439 4.240 -3.912 6.382 85 HZ1 LYS 439 HZ1 LYS 439 2.639 -3.486 7.996 86 HZ2 LYS 439 HZ2 LYS 439 2.699 -5.059 8.626 87 HZ3 LYS 439 HZ3 LYS 439 1.969 -4.779 7.119 88 H THR 440 HN THR 440 7.592 -7.200 2.683 89 HA THR 440 HA THR 440 7.779 -9.876 1.505 90 HB THR 440 HB THR 440 10.175 -9.122 0.997 91 HG1 THR 440 HG1 THR 440 10.746 -7.241 1.702 92 HG21 THR 440 HG21 THR 440 9.525 -7.896 -0.978 93 HG22 THR 440 HG22 THR 440 7.955 -7.526 -0.274 94 HG23 THR 440 HG23 THR 440 8.364 -9.190 -0.688 95 H ALA 441 HN ALA 441 9.415 -11.369 2.243 96 HA ALA 441 HA ALA 441 9.388 -11.788 4.972 97 HB1 ALA 441 HB1 ALA 441 9.888 -13.516 3.324 98 HB2 ALA 441 HB2 ALA 441 11.097 -13.465 4.607 99 HB3 ALA 441 HB3 ALA 441 11.461 -12.775 3.026 100 H ASP 442 HN ASP 442 11.518 -9.676 3.192 101 HA ASP 442 HA ASP 442 13.454 -9.538 5.350 102 HB2 ASP 442 HB2 ASP 442 14.702 -8.040 3.962 103 HB3 ASP 442 HB1 ASP 442 14.126 -9.356 2.945 104 H GLY 443 HN GLY 443 10.437 -8.201 4.830 105 HA2 GLY 443 HA2 GLY 443 9.379 -7.078 6.613 106 HA3 GLY 443 HA1 GLY 443 10.951 -6.505 7.156 107 H LYS 444 HN LYS 444 10.048 -6.250 3.817 108 HA LYS 444 HA LYS 444 9.894 -3.367 3.972 109 HB2 LYS 444 HB2 LYS 444 9.383 -5.302 1.721 110 HB3 LYS 444 HB1 LYS 444 9.221 -3.573 1.573 111 HG2 LYS 444 HG2 LYS 444 11.677 -5.042 2.271 112 HG3 LYS 444 HG1 LYS 444 11.321 -4.362 0.697 113 HD2 LYS 444 HD2 LYS 444 11.298 -2.122 1.643 114 HD3 LYS 444 HD1 LYS 444 11.587 -2.778 3.255 115 HE2 LYS 444 HE2 LYS 444 13.474 -3.091 0.923 116 HE3 LYS 444 HE1 LYS 444 13.613 -1.837 2.153 117 HZ1 LYS 444 HZ1 LYS 444 13.833 -3.574 3.833 118 HZ2 LYS 444 HZ2 LYS 444 15.052 -3.687 2.661 119 HZ3 LYS 444 HZ3 LYS 444 13.747 -4.769 2.631 120 H THR 445 HN THR 445 8.049 -2.309 4.446 121 HA THR 445 HA THR 445 5.553 -3.706 3.877 122 HB THR 445 HB THR 445 5.880 -0.902 4.986 123 HG1 THR 445 HG1 THR 445 6.668 -2.012 6.643 124 HG21 THR 445 HG21 THR 445 3.592 -1.248 5.796 125 HG22 THR 445 HG22 THR 445 3.566 -2.843 5.041 126 HG23 THR 445 HG23 THR 445 3.680 -1.395 4.039 127 H TYR 446 HN TYR 446 5.889 -3.748 1.597 128 HA TYR 446 HA TYR 446 5.566 -1.162 0.273 129 HB2 TYR 446 HB2 TYR 446 5.724 -2.386 -1.828 130 HB3 TYR 446 HB1 TYR 446 7.070 -2.775 -0.773 131 HD1 TYR 446 HD1 TYR 446 6.625 -4.935 0.755 132 HD2 TYR 446 HD2 TYR 446 4.711 -4.108 -2.954 133 HE1 TYR 446 HE1 TYR 446 6.135 -7.319 0.489 134 HE2 TYR 446 HE2 TYR 446 4.206 -6.496 -3.235 135 HH TYR 446 HH TYR 446 4.464 -8.723 -0.711 136 H TYR 447 HN TYR 447 3.789 -0.578 -0.927 137 HA TYR 447 HA TYR 447 1.341 -1.884 0.013 138 HB2 TYR 447 HB2 TYR 447 1.741 0.912 -1.081 139 HB3 TYR 447 HB1 TYR 447 0.213 0.242 -0.508 140 HD1 TYR 447 HD1 TYR 447 0.317 -0.785 1.925 141 HD2 TYR 447 HD2 TYR 447 2.996 2.156 0.430 142 HE1 TYR 447 HE1 TYR 447 0.847 -0.120 4.230 143 HE2 TYR 447 HE2 TYR 447 3.537 2.842 2.725 144 HH TYR 447 HH TYR 447 2.742 1.023 5.439 145 H TYR 448 HN TYR 448 0.393 -3.169 -1.284 146 HA TYR 448 HA TYR 448 0.340 -2.595 -4.163 147 HB2 TYR 448 HB2 TYR 448 1.439 -4.742 -3.594 148 HB3 TYR 448 HB1 TYR 448 -0.017 -5.252 -2.749 149 HD1 TYR 448 HD2 TYR 448 1.400 -4.474 -6.072 150 HD2 TYR 448 HD1 TYR 448 -1.868 -6.162 -3.934 151 HE1 TYR 448 HE2 TYR 448 0.533 -5.423 -8.164 152 HE2 TYR 448 HE1 TYR 448 -2.743 -7.122 -6.023 153 HH TYR 448 HH TYR 448 -0.908 -7.162 -8.942 154 H ASN 449 HN ASN 449 -1.558 -1.630 -4.637 155 HA ASN 449 HA ASN 449 -3.901 -2.212 -3.030 156 HB2 ASN 449 HB2 ASN 449 -3.573 -0.010 -3.149 157 HB3 ASN 449 HB1 ASN 449 -3.164 -0.044 -4.854 158 HD21 ASN 449 HD21 ASN 449 -5.036 1.665 -3.477 159 HD22 ASN 449 HD22 ASN 449 -6.576 1.441 -4.225 160 H ASN 450 HN ASN 450 -5.982 -2.632 -3.965 161 HA ASN 450 HA ASN 450 -5.319 -4.873 -5.743 162 HB2 ASN 450 HB2 ASN 450 -6.928 -6.181 -4.368 163 HB3 ASN 450 HB1 ASN 450 -5.503 -5.612 -3.510 164 HD21 ASN 450 HD21 ASN 450 -5.809 -4.252 -1.614 165 HD22 ASN 450 HD22 ASN 450 -7.409 -3.748 -1.151 166 H ARG 451 HN ARG 451 -7.152 -2.126 -5.694 167 HA ARG 451 HA ARG 451 -9.163 -3.392 -7.436 168 HB2 ARG 451 HB2 ARG 451 -10.464 -1.325 -7.268 169 HB3 ARG 451 HB1 ARG 451 -10.181 -2.043 -5.686 170 HG2 ARG 451 HG2 ARG 451 -8.577 -0.395 -5.140 171 HG3 ARG 451 HG1 ARG 451 -8.518 0.192 -6.805 172 HD2 ARG 451 HD2 ARG 451 -10.965 0.298 -5.051 173 HD3 ARG 451 HD1 ARG 451 -9.831 1.633 -5.249 174 HE ARG 451 HE ARG 451 -11.350 0.486 -7.504 175 HH11 ARG 451 HH11 ARG 451 -10.179 3.224 -5.633 176 HH12 ARG 451 HH12 ARG 451 -10.817 4.401 -6.746 177 HH21 ARG 451 HH21 ARG 451 -12.174 2.063 -8.966 178 HH22 ARG 451 HH22 ARG 451 -11.902 3.750 -8.634 179 H THR 452 HN THR 452 -6.570 -1.101 -7.320 180 HA THR 452 HA THR 452 -6.840 -0.710 -10.227 181 HB THR 452 HB THR 452 -5.500 1.248 -8.367 182 HG1 THR 452 HG1 THR 452 -7.459 2.353 -8.264 183 HG21 THR 452 HG21 THR 452 -4.990 1.446 -10.753 184 HG22 THR 452 HG22 THR 452 -5.935 2.822 -10.181 185 HG23 THR 452 HG23 THR 452 -6.717 1.542 -11.111 186 H LEU 453 HN LEU 453 -5.121 -2.019 -7.743 187 HA LEU 453 HA LEU 453 -3.141 -2.913 -7.401 188 HB2 LEU 453 HB2 LEU 453 -2.147 -4.194 -9.334 189 HB3 LEU 453 HB1 LEU 453 -3.754 -4.615 -8.750 190 HG LEU 453 HG LEU 453 -3.558 -2.763 -11.097 191 HD11 LEU 453 HD11 LEU 453 -3.342 -4.655 -12.632 192 HD12 LEU 453 HD12 LEU 453 -3.095 -5.740 -11.265 193 HD13 LEU 453 HD13 LEU 453 -1.906 -4.487 -11.622 194 HD21 LEU 453 HD21 LEU 453 -5.365 -5.080 -10.397 195 HD22 LEU 453 HD22 LEU 453 -5.559 -3.994 -11.773 196 HD23 LEU 453 HD23 LEU 453 -5.728 -3.376 -10.129 197 H TYR 454 HN TYR 454 -1.723 -1.806 -6.667 198 HA TYR 454 HA TYR 454 0.124 -0.231 -8.377 199 HB2 TYR 454 HB2 TYR 454 -0.613 0.322 -5.495 200 HB3 TYR 454 HB1 TYR 454 0.334 1.350 -6.516 201 HD1 TYR 454 HD1 TYR 454 -2.912 0.008 -5.905 202 HD2 TYR 454 HD2 TYR 454 -0.779 3.073 -7.861 203 HE1 TYR 454 HE1 TYR 454 -4.990 1.140 -6.216 204 HE2 TYR 454 HE2 TYR 454 -2.896 4.297 -8.251 205 HH TYR 454 HH TYR 454 -5.777 3.515 -6.635 206 H SER 455 HN SER 455 2.341 -0.609 -7.895 207 HA SER 455 HA SER 455 2.826 -2.003 -5.361 208 HB2 SER 455 HB2 SER 455 4.962 -2.881 -6.526 209 HB3 SER 455 HB1 SER 455 3.420 -3.662 -6.886 210 HG SER 455 HG SER 455 3.319 -2.561 -8.825 211 H THR 456 HN THR 456 3.322 -0.322 -4.110 212 HA THR 456 HA THR 456 5.611 1.313 -4.954 213 HB THR 456 HB THR 456 3.729 2.749 -5.241 214 HG1 THR 456 HG1 THR 456 4.295 3.872 -2.841 215 HG21 THR 456 HG21 THR 456 2.071 1.547 -3.927 216 HG22 THR 456 HG22 THR 456 2.125 3.243 -3.449 217 HG23 THR 456 HG23 THR 456 2.888 2.016 -2.435 218 H TRP 457 HN TRP 457 7.245 1.034 -3.645 219 HA TRP 457 HA TRP 457 6.994 0.013 -0.979 220 HB2 TRP 457 HB2 TRP 457 9.428 1.397 -2.116 221 HB3 TRP 457 HB1 TRP 457 9.372 0.187 -0.840 222 HD1 TRP 457 HD1 TRP 457 9.149 0.525 -4.653 223 HE1 TRP 457 HE1 TRP 457 9.565 -1.778 -5.715 224 HE3 TRP 457 HE3 TRP 457 9.256 -2.314 -0.401 225 HZ2 TRP 457 HZ2 TRP 457 9.908 -4.449 -4.859 226 HZ3 TRP 457 HZ3 TRP 457 9.637 -4.735 -0.613 227 HH2 TRP 457 HH2 TRP 457 9.954 -5.777 -2.796 228 H GLU 458 HN GLU 458 6.473 3.000 -2.303 229 HA GLU 458 HA GLU 458 7.305 4.498 0.074 230 HB2 GLU 458 HB2 GLU 458 8.043 5.261 -2.185 231 HB3 GLU 458 HB1 GLU 458 6.357 5.502 -2.619 232 HG2 GLU 458 HG2 GLU 458 6.121 7.257 -1.036 233 HG3 GLU 458 HG1 GLU 458 7.698 6.909 -0.325 234 H LYS 459 HN LYS 459 5.844 5.374 1.421 235 HA LYS 459 HA LYS 459 3.161 4.456 1.372 236 HB2 LYS 459 HB2 LYS 459 4.345 4.852 3.462 237 HB3 LYS 459 HB1 LYS 459 4.514 6.558 3.079 238 HG2 LYS 459 HG2 LYS 459 2.066 6.796 3.171 239 HG3 LYS 459 HG1 LYS 459 1.943 5.098 3.637 240 HD2 LYS 459 HD2 LYS 459 3.611 7.056 5.192 241 HD3 LYS 459 HD1 LYS 459 1.890 6.843 5.503 242 HE2 LYS 459 HE2 LYS 459 3.948 4.644 5.603 243 HE3 LYS 459 HE1 LYS 459 3.325 5.506 7.006 244 HZ1 LYS 459 HZ1 LYS 459 2.035 3.607 6.934 245 HZ2 LYS 459 HZ2 LYS 459 1.937 3.593 5.249 246 HZ3 LYS 459 HZ3 LYS 459 1.048 4.732 6.133 247 HA PRO 460 HA PRO 460 1.606 7.735 -1.253 248 HB2 PRO 460 HB2 PRO 460 -0.887 6.801 -1.514 249 HB3 PRO 460 HB1 PRO 460 0.483 5.998 -2.289 250 HG2 PRO 460 HG2 PRO 460 -0.940 5.289 0.246 251 HG3 PRO 460 HG1 PRO 460 -0.403 4.227 -1.069 252 HD2 PRO 460 HD2 PRO 460 0.980 4.568 1.263 253 HD3 PRO 460 HD1 PRO 460 1.745 4.134 -0.275 254 H GLN 461 HN GLN 461 -0.455 9.089 -1.276 255 HA GLN 461 HA GLN 461 -0.232 10.678 1.040 256 HB2 GLN 461 HB2 GLN 461 -2.151 10.872 -1.275 257 HB3 GLN 461 HB1 GLN 461 -1.914 12.111 -0.055 258 HG2 GLN 461 HG2 GLN 461 0.209 11.100 -1.924 259 HG3 GLN 461 HG1 GLN 461 -0.719 12.581 -2.144 260 HE21 GLN 461 HE21 GLN 461 -0.364 14.323 -0.740 261 HE22 GLN 461 HE22 GLN 461 1.091 14.451 0.183 262 H GLU 462 HN GLU 462 -2.469 8.172 0.227 263 HA GLU 462 HA GLU 462 -4.335 9.129 2.278 264 HB2 GLU 462 HB2 GLU 462 -5.763 7.165 1.418 265 HB3 GLU 462 HB1 GLU 462 -5.594 8.588 0.407 266 HG2 GLU 462 HG2 GLU 462 -3.846 6.182 0.042 267 HG3 GLU 462 HG1 GLU 462 -5.439 6.305 -0.705 268 H LEU 463 HN LEU 463 -1.653 7.319 2.261 269 HA LEU 463 HA LEU 463 -2.672 5.617 4.443 270 HB2 LEU 463 HB2 LEU 463 -0.448 5.121 2.474 271 HB3 LEU 463 HB1 LEU 463 -0.582 4.225 3.975 272 HG LEU 463 HG LEU 463 -2.723 4.293 1.843 273 HD11 LEU 463 HD11 LEU 463 -1.998 1.997 1.350 274 HD12 LEU 463 HD12 LEU 463 -0.647 2.198 2.463 275 HD13 LEU 463 HD13 LEU 463 -0.739 3.181 1.002 276 HD21 LEU 463 HD21 LEU 463 -3.662 2.416 3.083 277 HD22 LEU 463 HD22 LEU 463 -3.557 3.853 4.102 278 HD23 LEU 463 HD23 LEU 463 -2.377 2.553 4.283 279 H LYS 464 HN LYS 464 -1.108 8.389 3.907 280 HA LYS 464 HA LYS 464 0.802 8.026 6.107 281 HB2 LYS 464 HB2 LYS 464 1.768 10.215 5.316 282 HB3 LYS 464 HB1 LYS 464 1.943 8.872 4.196 283 HG2 LYS 464 HG2 LYS 464 0.523 9.782 2.665 284 HG3 LYS 464 HG1 LYS 464 -0.415 10.648 3.883 285 HD2 LYS 464 HD2 LYS 464 2.381 11.368 3.000 286 HD3 LYS 464 HD1 LYS 464 0.900 12.164 2.451 287 HE2 LYS 464 HE2 LYS 464 1.990 12.071 5.265 288 HE3 LYS 464 HE1 LYS 464 1.891 13.480 4.208 289 HZ1 LYS 464 HZ1 LYS 464 0.111 13.453 5.856 290 HZ2 LYS 464 HZ2 LYS 464 -0.431 11.956 5.273 291 HZ3 LYS 464 HZ3 LYS 464 -0.515 13.333 4.281 Start of MODEL 17 1 H1 GLY 428 HT1 GLY 428 -3.230 9.287 7.000 2 H2 GLY 428 HT2 GLY 428 -3.267 7.847 7.897 3 H3 GLY 428 HT3 GLY 428 -4.381 9.082 8.226 4 HA2 GLY 428 HA1 GLY 428 -4.242 7.671 5.629 5 HA3 GLY 428 HA2 GLY 428 -5.288 7.158 6.943 6 H ALA 429 HN ALA 429 -5.316 8.736 4.132 7 HA ALA 429 HA ALA 429 -7.218 10.808 4.936 8 HB1 ALA 429 HB1 ALA 429 -5.500 11.426 3.305 9 HB2 ALA 429 HB2 ALA 429 -7.115 11.536 2.600 10 HB3 ALA 429 HB3 ALA 429 -6.074 10.163 2.216 11 H THR 430 HN THR 430 -9.086 9.804 5.457 12 HA THR 430 HA THR 430 -11.108 8.790 5.163 13 HB THR 430 HB THR 430 -10.271 8.230 2.306 14 HG1 THR 430 HG1 THR 430 -11.483 10.153 1.846 15 HG21 THR 430 HG21 THR 430 -13.004 8.359 3.586 16 HG22 THR 430 HG22 THR 430 -12.176 6.893 3.064 17 HG23 THR 430 HG23 THR 430 -12.678 8.093 1.873 18 H ALA 431 HN ALA 431 -11.887 6.674 5.477 19 HA ALA 431 HA ALA 431 -9.832 4.717 5.946 20 HB1 ALA 431 HB1 ALA 431 -11.624 3.314 6.817 21 HB2 ALA 431 HB2 ALA 431 -12.827 4.448 6.203 22 HB3 ALA 431 HB3 ALA 431 -11.722 4.943 7.485 23 H VAL 432 HN VAL 432 -9.084 4.529 3.764 24 HA VAL 432 HA VAL 432 -10.844 3.349 1.803 25 HB VAL 432 HB VAL 432 -8.847 3.336 0.327 26 HG11 VAL 432 HG11 VAL 432 -10.316 5.263 0.353 27 HG12 VAL 432 HG12 VAL 432 -8.644 5.776 0.131 28 HG13 VAL 432 HG13 VAL 432 -9.420 5.956 1.705 29 HG21 VAL 432 HG21 VAL 432 -7.469 4.588 2.704 30 HG22 VAL 432 HG22 VAL 432 -6.807 4.492 1.070 31 HG23 VAL 432 HG23 VAL 432 -7.106 3.017 1.989 32 H SER 433 HN SER 433 -10.760 1.295 1.001 33 HA SER 433 HA SER 433 -9.008 -0.595 2.435 34 HB2 SER 433 HB2 SER 433 -11.450 -0.807 3.003 35 HB3 SER 433 HB1 SER 433 -11.759 -1.195 1.310 36 HG SER 433 HG SER 433 -10.101 -2.911 1.691 37 H GLU 434 HN GLU 434 -9.621 0.917 -0.397 38 HA GLU 434 HA GLU 434 -9.263 -1.079 -2.348 39 HB2 GLU 434 HB2 GLU 434 -8.532 0.817 -3.799 40 HB3 GLU 434 HB1 GLU 434 -10.055 1.086 -2.992 41 HG2 GLU 434 HG2 GLU 434 -8.618 2.283 -1.202 42 HG3 GLU 434 HG1 GLU 434 -7.416 2.336 -2.489 43 H TRP 435 HN TRP 435 -7.058 0.674 -0.326 44 HA TRP 435 HA TRP 435 -4.750 -0.165 -1.881 45 HB2 TRP 435 HB2 TRP 435 -5.211 1.712 0.409 46 HB3 TRP 435 HB1 TRP 435 -3.591 1.083 0.124 47 HD1 TRP 435 HD1 TRP 435 -6.234 3.370 -1.463 48 HE1 TRP 435 HE1 TRP 435 -5.088 4.783 -3.295 49 HE3 TRP 435 HE3 TRP 435 -1.637 1.130 -1.464 50 HZ2 TRP 435 HZ2 TRP 435 -2.568 4.928 -4.554 51 HZ3 TRP 435 HZ3 TRP 435 0.084 1.967 -3.008 52 HH2 TRP 435 HH2 TRP 435 -0.374 3.827 -4.521 53 H THR 436 HN THR 436 -3.179 -1.588 -1.096 54 HA THR 436 HA THR 436 -3.991 -2.936 1.262 55 HB THR 436 HB THR 436 -3.563 -4.206 -1.350 56 HG1 THR 436 HG1 THR 436 -5.219 -4.442 0.896 57 HG21 THR 436 HG21 THR 436 -1.642 -5.075 -0.081 58 HG22 THR 436 HG22 THR 436 -2.847 -6.328 -0.385 59 HG23 THR 436 HG23 THR 436 -2.732 -5.580 1.210 60 H GLU 437 HN GLU 437 -2.286 -3.519 2.660 61 HA GLU 437 HA GLU 437 0.371 -2.841 1.585 62 HB2 GLU 437 HB2 GLU 437 1.174 -2.421 3.801 63 HB3 GLU 437 HB1 GLU 437 -0.292 -1.487 3.548 64 HG2 GLU 437 HG2 GLU 437 -0.253 -4.112 4.956 65 HG3 GLU 437 HG1 GLU 437 0.004 -2.592 5.793 66 H TYR 438 HN TYR 438 1.887 -4.309 1.431 67 HA TYR 438 HA TYR 438 1.467 -6.946 2.660 68 HB2 TYR 438 HB2 TYR 438 2.274 -6.338 -0.169 69 HB3 TYR 438 HB1 TYR 438 2.689 -7.858 0.590 70 HD1 TYR 438 HD1 TYR 438 0.287 -8.576 2.057 71 HD2 TYR 438 HD2 TYR 438 0.684 -6.791 -1.785 72 HE1 TYR 438 HE1 TYR 438 -1.867 -9.557 1.386 73 HE2 TYR 438 HE2 TYR 438 -1.471 -7.761 -2.464 74 HH TYR 438 HH TYR 438 -3.625 -9.216 -0.226 75 H LYS 439 HN LYS 439 3.308 -8.074 3.209 76 HA LYS 439 HA LYS 439 5.811 -6.534 3.058 77 HB2 LYS 439 HB2 LYS 439 4.639 -7.989 5.374 78 HB3 LYS 439 HB1 LYS 439 6.375 -8.049 5.149 79 HG2 LYS 439 HG2 LYS 439 5.965 -6.263 6.610 80 HG3 LYS 439 HG1 LYS 439 6.381 -5.581 5.028 81 HD2 LYS 439 HD2 LYS 439 4.501 -4.386 6.021 82 HD3 LYS 439 HD1 LYS 439 4.017 -5.243 4.560 83 HE2 LYS 439 HE2 LYS 439 2.289 -5.627 6.123 84 HE3 LYS 439 HE1 LYS 439 3.229 -7.116 6.071 85 HZ1 LYS 439 HZ1 LYS 439 2.860 -6.706 8.325 86 HZ2 LYS 439 HZ2 LYS 439 3.182 -5.047 8.183 87 HZ3 LYS 439 HZ3 LYS 439 4.453 -6.168 8.073 88 H THR 440 HN THR 440 7.554 -7.494 2.422 89 HA THR 440 HA THR 440 7.513 -10.335 1.738 90 HB THR 440 HB THR 440 9.949 -9.835 1.059 91 HG1 THR 440 HG1 THR 440 10.559 -7.890 1.611 92 HG21 THR 440 HG21 THR 440 8.268 -10.210 -0.606 93 HG22 THR 440 HG22 THR 440 9.207 -8.797 -1.096 94 HG23 THR 440 HG23 THR 440 7.610 -8.595 -0.379 95 H ALA 441 HN ALA 441 9.077 -11.784 2.683 96 HA ALA 441 HA ALA 441 8.999 -11.876 5.405 97 HB1 ALA 441 HB1 ALA 441 9.611 -13.758 3.961 98 HB2 ALA 441 HB2 ALA 441 10.720 -13.575 5.320 99 HB3 ALA 441 HB3 ALA 441 11.201 -13.037 3.712 100 H ASP 442 HN ASP 442 11.302 -9.970 3.575 101 HA ASP 442 HA ASP 442 13.090 -9.656 5.830 102 HB2 ASP 442 HB2 ASP 442 14.419 -8.263 4.406 103 HB3 ASP 442 HB1 ASP 442 13.895 -9.650 3.459 104 H GLY 443 HN GLY 443 10.157 -8.357 5.007 105 HA2 GLY 443 HA2 GLY 443 8.938 -7.012 6.493 106 HA3 GLY 443 HA1 GLY 443 10.455 -6.387 7.138 107 H LYS 444 HN LYS 444 9.913 -6.563 3.719 108 HA LYS 444 HA LYS 444 9.958 -3.711 3.454 109 HB2 LYS 444 HB2 LYS 444 9.549 -5.961 1.498 110 HB3 LYS 444 HB1 LYS 444 9.385 -4.272 1.023 111 HG2 LYS 444 HG2 LYS 444 11.629 -3.879 1.864 112 HG3 LYS 444 HG1 LYS 444 11.821 -5.596 2.170 113 HD2 LYS 444 HD2 LYS 444 11.510 -6.053 -0.207 114 HD3 LYS 444 HD1 LYS 444 11.284 -4.331 -0.519 115 HE2 LYS 444 HE2 LYS 444 13.557 -3.917 0.363 116 HE3 LYS 444 HE1 LYS 444 13.776 -5.657 0.534 117 HZ1 LYS 444 HZ1 LYS 444 13.563 -5.923 -1.827 118 HZ2 LYS 444 HZ2 LYS 444 14.744 -4.753 -1.512 119 HZ3 LYS 444 HZ3 LYS 444 13.205 -4.275 -2.033 120 H THR 445 HN THR 445 8.234 -2.631 4.207 121 HA THR 445 HA THR 445 5.594 -3.706 3.633 122 HB THR 445 HB THR 445 6.268 -1.072 4.980 123 HG1 THR 445 HG1 THR 445 6.952 -3.353 5.899 124 HG21 THR 445 HG21 THR 445 3.962 -1.261 4.195 125 HG22 THR 445 HG22 THR 445 4.022 -1.317 5.956 126 HG23 THR 445 HG23 THR 445 3.791 -2.804 5.033 127 H TYR 446 HN TYR 446 5.717 -3.535 1.368 128 HA TYR 446 HA TYR 446 5.490 -0.803 0.324 129 HB2 TYR 446 HB2 TYR 446 5.627 -1.824 -1.908 130 HB3 TYR 446 HB1 TYR 446 7.009 -2.257 -0.912 131 HD1 TYR 446 HD2 TYR 446 6.977 -4.540 0.222 132 HD2 TYR 446 HD1 TYR 446 4.345 -3.474 -2.939 133 HE1 TYR 446 HE2 TYR 446 6.591 -6.914 -0.237 134 HE2 TYR 446 HE1 TYR 446 3.945 -5.848 -3.421 135 HH TYR 446 HH TYR 446 4.946 -7.983 -3.094 136 H TYR 447 HN TYR 447 3.689 -0.226 -0.989 137 HA TYR 447 HA TYR 447 1.294 -1.545 0.051 138 HB2 TYR 447 HB2 TYR 447 1.652 1.281 -0.977 139 HB3 TYR 447 HB1 TYR 447 0.153 0.605 -0.331 140 HD1 TYR 447 HD1 TYR 447 0.155 -0.263 2.047 141 HD2 TYR 447 HD2 TYR 447 3.278 2.162 0.484 142 HE1 TYR 447 HE1 TYR 447 0.892 0.232 4.336 143 HE2 TYR 447 HE2 TYR 447 4.026 2.684 2.766 144 HH TYR 447 HH TYR 447 2.896 0.970 5.502 145 H TYR 448 HN TYR 448 0.634 -2.996 -1.263 146 HA TYR 448 HA TYR 448 0.380 -2.443 -4.127 147 HB2 TYR 448 HB2 TYR 448 1.502 -4.553 -3.326 148 HB3 TYR 448 HB1 TYR 448 -0.032 -5.043 -2.623 149 HD1 TYR 448 HD2 TYR 448 1.793 -4.466 -5.763 150 HD2 TYR 448 HD1 TYR 448 -1.797 -5.928 -4.007 151 HE1 TYR 448 HE2 TYR 448 1.193 -5.535 -7.894 152 HE2 TYR 448 HE1 TYR 448 -2.405 -7.002 -6.134 153 HH TYR 448 HH TYR 448 -1.928 -6.836 -8.481 154 H ASN 449 HN ASN 449 -1.531 -1.531 -4.632 155 HA ASN 449 HA ASN 449 -3.850 -1.980 -2.929 156 HB2 ASN 449 HB2 ASN 449 -3.568 0.182 -3.183 157 HB3 ASN 449 HB1 ASN 449 -3.117 0.062 -4.873 158 HD21 ASN 449 HD21 ASN 449 -5.038 1.842 -3.644 159 HD22 ASN 449 HD22 ASN 449 -6.568 1.536 -4.384 160 H ASN 450 HN ASN 450 -5.961 -2.480 -3.746 161 HA ASN 450 HA ASN 450 -5.353 -4.803 -5.450 162 HB2 ASN 450 HB2 ASN 450 -6.965 -6.039 -4.011 163 HB3 ASN 450 HB1 ASN 450 -5.527 -5.459 -3.184 164 HD21 ASN 450 HD21 ASN 450 -5.789 -3.986 -1.379 165 HD22 ASN 450 HD22 ASN 450 -7.374 -3.450 -0.900 166 H ARG 451 HN ARG 451 -7.088 -2.029 -5.560 167 HA ARG 451 HA ARG 451 -9.235 -3.264 -7.148 168 HB2 ARG 451 HB2 ARG 451 -10.208 -1.017 -7.304 169 HB3 ARG 451 HB1 ARG 451 -9.929 -1.451 -5.621 170 HG2 ARG 451 HG2 ARG 451 -8.261 0.077 -5.358 171 HG3 ARG 451 HG1 ARG 451 -7.804 0.039 -7.059 172 HD2 ARG 451 HD2 ARG 451 -10.089 1.167 -7.463 173 HD3 ARG 451 HD1 ARG 451 -10.039 1.532 -5.734 174 HE ARG 451 HE ARG 451 -7.685 2.240 -7.296 175 HH11 ARG 451 HH11 ARG 451 -10.690 3.348 -5.883 176 HH12 ARG 451 HH12 ARG 451 -10.174 5.001 -5.780 177 HH21 ARG 451 HH21 ARG 451 -7.010 4.395 -7.192 178 HH22 ARG 451 HH22 ARG 451 -8.073 5.607 -6.542 179 H THR 452 HN THR 452 -6.342 -1.368 -7.356 180 HA THR 452 HA THR 452 -6.580 -1.221 -10.293 181 HB THR 452 HB THR 452 -5.147 0.765 -8.522 182 HG1 THR 452 HG1 THR 452 -7.779 0.918 -9.632 183 HG21 THR 452 HG21 THR 452 -6.085 0.962 -11.381 184 HG22 THR 452 HG22 THR 452 -4.418 0.725 -10.856 185 HG23 THR 452 HG23 THR 452 -5.261 2.223 -10.463 186 H LEU 453 HN LEU 453 -4.873 -2.311 -7.623 187 HA LEU 453 HA LEU 453 -2.932 -3.238 -7.197 188 HB2 LEU 453 HB2 LEU 453 -1.915 -4.719 -8.922 189 HB3 LEU 453 HB1 LEU 453 -3.572 -5.045 -8.431 190 HG LEU 453 HG LEU 453 -3.191 -3.402 -10.892 191 HD11 LEU 453 HD11 LEU 453 -2.643 -6.370 -10.818 192 HD12 LEU 453 HD12 LEU 453 -1.453 -5.109 -11.133 193 HD13 LEU 453 HD13 LEU 453 -2.775 -5.375 -12.269 194 HD21 LEU 453 HD21 LEU 453 -5.092 -4.749 -11.642 195 HD22 LEU 453 HD22 LEU 453 -5.419 -4.005 -10.077 196 HD23 LEU 453 HD23 LEU 453 -4.997 -5.716 -10.170 197 H TYR 454 HN TYR 454 -1.885 -1.605 -6.602 198 HA TYR 454 HA TYR 454 0.027 -0.287 -8.437 199 HB2 TYR 454 HB2 TYR 454 -0.669 0.426 -5.582 200 HB3 TYR 454 HB1 TYR 454 0.268 1.395 -6.673 201 HD1 TYR 454 HD2 TYR 454 -2.945 0.084 -5.926 202 HD2 TYR 454 HD1 TYR 454 -0.867 2.975 -8.172 203 HE1 TYR 454 HE2 TYR 454 -5.031 1.152 -6.315 204 HE2 TYR 454 HE1 TYR 454 -2.988 4.139 -8.647 205 HH TYR 454 HH TYR 454 -5.420 3.582 -8.726 206 H SER 455 HN SER 455 2.215 -0.550 -8.072 207 HA SER 455 HA SER 455 2.947 -1.879 -5.556 208 HB2 SER 455 HB2 SER 455 5.097 -2.495 -6.872 209 HB3 SER 455 HB1 SER 455 3.627 -3.433 -7.157 210 HG SER 455 HG SER 455 3.254 -2.188 -9.024 211 H THR 456 HN THR 456 3.300 -0.120 -4.334 212 HA THR 456 HA THR 456 5.522 1.579 -5.201 213 HB THR 456 HB THR 456 3.630 2.995 -5.418 214 HG1 THR 456 HG1 THR 456 4.210 4.033 -2.973 215 HG21 THR 456 HG21 THR 456 2.799 2.170 -2.636 216 HG22 THR 456 HG22 THR 456 1.992 1.722 -4.141 217 HG23 THR 456 HG23 THR 456 2.016 3.407 -3.620 218 H TRP 457 HN TRP 457 7.172 1.487 -3.931 219 HA TRP 457 HA TRP 457 7.039 0.084 -1.418 220 HB2 TRP 457 HB2 TRP 457 9.377 1.475 -2.746 221 HB3 TRP 457 HB1 TRP 457 9.476 0.359 -1.387 222 HD1 TRP 457 HD1 TRP 457 8.986 0.435 -5.172 223 HE1 TRP 457 HE1 TRP 457 9.198 -1.966 -6.083 224 HE3 TRP 457 HE3 TRP 457 9.142 -2.098 -0.743 225 HZ2 TRP 457 HZ2 TRP 457 9.411 -4.588 -5.051 226 HZ3 TRP 457 HZ3 TRP 457 9.351 -4.544 -0.787 227 HH2 TRP 457 HH2 TRP 457 9.485 -5.766 -2.889 228 H GLU 458 HN GLU 458 6.462 3.236 -2.269 229 HA GLU 458 HA GLU 458 7.245 4.180 0.405 230 HB2 GLU 458 HB2 GLU 458 8.415 5.274 -1.555 231 HB3 GLU 458 HB1 GLU 458 6.852 5.924 -2.030 232 HG2 GLU 458 HG2 GLU 458 6.713 7.285 -0.140 233 HG3 GLU 458 HG1 GLU 458 7.980 6.395 0.705 234 H LYS 459 HN LYS 459 5.765 5.325 1.592 235 HA LYS 459 HA LYS 459 3.096 4.452 1.286 236 HB2 LYS 459 HB2 LYS 459 4.268 4.888 3.453 237 HB3 LYS 459 HB1 LYS 459 4.155 6.611 3.118 238 HG2 LYS 459 HG2 LYS 459 1.750 6.507 3.178 239 HG3 LYS 459 HG1 LYS 459 1.802 4.756 3.392 240 HD2 LYS 459 HD2 LYS 459 1.400 5.864 5.520 241 HD3 LYS 459 HD1 LYS 459 2.972 5.062 5.528 242 HE2 LYS 459 HE2 LYS 459 4.098 7.156 5.155 243 HE3 LYS 459 HE1 LYS 459 2.561 7.994 4.948 244 HZ1 LYS 459 HZ1 LYS 459 3.548 8.335 7.146 245 HZ2 LYS 459 HZ2 LYS 459 3.449 6.670 7.456 246 HZ3 LYS 459 HZ3 LYS 459 2.033 7.580 7.244 247 HA PRO 460 HA PRO 460 1.760 7.777 -1.379 248 HB2 PRO 460 HB2 PRO 460 -0.740 6.897 -1.780 249 HB3 PRO 460 HB1 PRO 460 0.656 6.075 -2.488 250 HG2 PRO 460 HG2 PRO 460 -0.939 5.358 -0.061 251 HG3 PRO 460 HG1 PRO 460 -0.306 4.303 -1.338 252 HD2 PRO 460 HD2 PRO 460 0.892 4.652 1.107 253 HD3 PRO 460 HD1 PRO 460 1.757 4.162 -0.361 254 H GLN 461 HN GLN 461 -0.084 9.283 -1.488 255 HA GLN 461 HA GLN 461 -0.067 10.774 0.875 256 HB2 GLN 461 HB2 GLN 461 -1.715 11.067 -1.629 257 HB3 GLN 461 HB1 GLN 461 -1.701 12.242 -0.327 258 HG2 GLN 461 HG2 GLN 461 -0.232 13.045 -1.982 259 HG3 GLN 461 HG1 GLN 461 0.769 12.457 -0.658 260 HE21 GLN 461 HE21 GLN 461 -0.842 10.420 -3.036 261 HE22 GLN 461 HE22 GLN 461 0.612 9.848 -3.791 262 H GLU 462 HN GLU 462 -2.390 8.442 -0.287 263 HA GLU 462 HA GLU 462 -4.443 9.346 1.538 264 HB2 GLU 462 HB2 GLU 462 -5.593 7.185 0.801 265 HB3 GLU 462 HB1 GLU 462 -5.338 8.428 -0.413 266 HG2 GLU 462 HG2 GLU 462 -3.286 6.299 -0.122 267 HG3 GLU 462 HG1 GLU 462 -4.819 5.895 -0.893 268 H LEU 463 HN LEU 463 -1.701 7.409 1.824 269 HA LEU 463 HA LEU 463 -2.841 5.993 4.144 270 HB2 LEU 463 HB2 LEU 463 -0.566 5.314 2.300 271 HB3 LEU 463 HB1 LEU 463 -0.718 4.561 3.874 272 HG LEU 463 HG LEU 463 -2.924 4.446 1.824 273 HD11 LEU 463 HD11 LEU 463 -2.112 2.218 1.248 274 HD12 LEU 463 HD12 LEU 463 -0.716 2.444 2.302 275 HD13 LEU 463 HD13 LEU 463 -0.904 3.446 0.862 276 HD21 LEU 463 HD21 LEU 463 -2.274 2.753 4.236 277 HD22 LEU 463 HD22 LEU 463 -3.649 2.536 3.152 278 HD23 LEU 463 HD23 LEU 463 -3.536 3.983 4.155 279 H LYS 464 HN LYS 464 -1.199 8.696 3.487 280 HA LYS 464 HA LYS 464 1.108 8.623 5.066 281 HB2 LYS 464 HB2 LYS 464 -0.689 10.922 4.297 282 HB3 LYS 464 HB1 LYS 464 0.831 11.134 5.154 283 HG2 LYS 464 HG2 LYS 464 0.585 9.781 2.478 284 HG3 LYS 464 HG1 LYS 464 0.964 11.491 2.692 285 HD2 LYS 464 HD2 LYS 464 2.587 9.251 3.893 286 HD3 LYS 464 HD1 LYS 464 2.949 9.993 2.333 287 HE2 LYS 464 HE2 LYS 464 2.780 11.482 4.950 288 HE3 LYS 464 HE1 LYS 464 4.279 10.927 4.206 289 HZ1 LYS 464 HZ1 LYS 464 3.802 13.265 3.729 290 HZ2 LYS 464 HZ2 LYS 464 2.364 12.824 2.953 291 HZ3 LYS 464 HZ3 LYS 464 3.857 12.333 2.315 Start of MODEL 18 1 H1 GLY 428 HT1 GLY 428 -12.113 16.154 1.929 2 H2 GLY 428 HT2 GLY 428 -10.880 17.213 2.413 3 H3 GLY 428 HT3 GLY 428 -12.493 17.561 2.801 4 HA2 GLY 428 HA1 GLY 428 -11.370 16.736 4.742 5 HA3 GLY 428 HA2 GLY 428 -12.599 15.596 4.209 6 H ALA 429 HN ALA 429 -11.331 14.056 5.482 7 HA ALA 429 HA ALA 429 -8.941 13.116 4.029 8 HB1 ALA 429 HB1 ALA 429 -9.724 12.619 6.903 9 HB2 ALA 429 HB2 ALA 429 -8.483 13.741 6.345 10 HB3 ALA 429 HB3 ALA 429 -8.274 12.006 6.108 11 H THR 430 HN THR 430 -9.469 11.521 2.675 12 HA THR 430 HA THR 430 -11.698 9.759 3.308 13 HB THR 430 HB THR 430 -11.282 8.892 0.964 14 HG1 THR 430 HG1 THR 430 -9.327 9.482 0.315 15 HG21 THR 430 HG21 THR 430 -12.283 10.846 -0.121 16 HG22 THR 430 HG22 THR 430 -11.850 11.842 1.268 17 HG23 THR 430 HG23 THR 430 -13.027 10.540 1.450 18 H ALA 431 HN ALA 431 -11.143 8.150 4.643 19 HA ALA 431 HA ALA 431 -8.591 6.806 4.416 20 HB1 ALA 431 HB1 ALA 431 -9.395 5.409 6.251 21 HB2 ALA 431 HB2 ALA 431 -10.995 6.137 6.112 22 HB3 ALA 431 HB3 ALA 431 -9.621 7.121 6.613 23 H VAL 432 HN VAL 432 -8.471 5.778 2.480 24 HA VAL 432 HA VAL 432 -10.699 4.171 1.547 25 HB VAL 432 HB VAL 432 -9.239 3.741 -0.442 26 HG11 VAL 432 HG11 VAL 432 -10.891 5.525 -0.449 27 HG12 VAL 432 HG12 VAL 432 -9.454 6.010 -1.350 28 HG13 VAL 432 HG13 VAL 432 -9.727 6.629 0.280 29 HG21 VAL 432 HG21 VAL 432 -7.065 4.020 0.614 30 HG22 VAL 432 HG22 VAL 432 -7.414 5.722 0.921 31 HG23 VAL 432 HG23 VAL 432 -7.245 5.138 -0.736 32 H SER 433 HN SER 433 -10.679 1.984 1.238 33 HA SER 433 HA SER 433 -8.602 0.537 2.751 34 HB2 SER 433 HB2 SER 433 -10.949 0.452 3.655 35 HB3 SER 433 HB1 SER 433 -11.443 -0.356 2.169 36 HG SER 433 HG SER 433 -9.273 -1.535 3.362 37 H GLU 434 HN GLU 434 -9.422 1.304 -0.286 38 HA GLU 434 HA GLU 434 -9.349 -1.138 -1.697 39 HB2 GLU 434 HB2 GLU 434 -8.595 0.320 -3.625 40 HB3 GLU 434 HB1 GLU 434 -10.111 0.740 -2.886 41 HG2 GLU 434 HG2 GLU 434 -8.973 2.503 -1.591 42 HG3 GLU 434 HG1 GLU 434 -7.491 2.109 -2.463 43 H TRP 435 HN TRP 435 -6.967 0.557 -0.032 44 HA TRP 435 HA TRP 435 -4.792 -0.352 -1.718 45 HB2 TRP 435 HB2 TRP 435 -5.056 1.508 0.617 46 HB3 TRP 435 HB1 TRP 435 -3.475 0.849 0.201 47 HD1 TRP 435 HD1 TRP 435 -6.278 3.030 -1.360 48 HE1 TRP 435 HE1 TRP 435 -5.179 4.511 -3.171 49 HE3 TRP 435 HE3 TRP 435 -1.565 1.068 -1.250 50 HZ2 TRP 435 HZ2 TRP 435 -2.619 4.790 -4.392 51 HZ3 TRP 435 HZ3 TRP 435 0.144 1.974 -2.761 52 HH2 TRP 435 HH2 TRP 435 -0.366 3.792 -4.293 53 H THR 436 HN THR 436 -3.306 -1.895 -1.097 54 HA THR 436 HA THR 436 -4.197 -3.418 1.132 55 HB THR 436 HB THR 436 -3.671 -4.384 -1.586 56 HG1 THR 436 HG1 THR 436 -5.189 -5.616 0.459 57 HG21 THR 436 HG21 THR 436 -2.993 -6.060 0.832 58 HG22 THR 436 HG22 THR 436 -1.843 -5.471 -0.368 59 HG23 THR 436 HG23 THR 436 -3.084 -6.635 -0.831 60 H GLU 437 HN GLU 437 -2.540 -4.270 2.464 61 HA GLU 437 HA GLU 437 0.115 -3.532 1.491 62 HB2 GLU 437 HB2 GLU 437 1.010 -3.262 3.696 63 HB3 GLU 437 HB1 GLU 437 -0.303 -2.158 3.371 64 HG2 GLU 437 HG2 GLU 437 0.064 -3.398 5.624 65 HG3 GLU 437 HG1 GLU 437 -1.537 -2.927 5.075 66 H TYR 438 HN TYR 438 1.903 -4.694 2.118 67 HA TYR 438 HA TYR 438 1.565 -7.528 2.606 68 HB2 TYR 438 HB2 TYR 438 2.403 -6.475 -0.092 69 HB3 TYR 438 HB1 TYR 438 2.864 -8.066 0.469 70 HD1 TYR 438 HD1 TYR 438 0.483 -9.174 1.643 71 HD2 TYR 438 HD2 TYR 438 0.871 -6.690 -1.785 72 HE1 TYR 438 HE1 TYR 438 -1.581 -10.142 0.713 73 HE2 TYR 438 HE2 TYR 438 -1.193 -7.639 -2.717 74 HH TYR 438 HH TYR 438 -2.549 -9.641 -2.525 75 H LYS 439 HN LYS 439 3.518 -8.537 3.066 76 HA LYS 439 HA LYS 439 5.838 -6.733 3.156 77 HB2 LYS 439 HB2 LYS 439 4.863 -8.644 5.207 78 HB3 LYS 439 HB1 LYS 439 6.591 -8.545 4.951 79 HG2 LYS 439 HG2 LYS 439 6.609 -6.842 6.328 80 HG3 LYS 439 HG1 LYS 439 5.855 -5.932 5.019 81 HD2 LYS 439 HD2 LYS 439 4.391 -7.426 7.207 82 HD3 LYS 439 HD1 LYS 439 4.661 -5.687 7.176 83 HE2 LYS 439 HE2 LYS 439 3.341 -5.518 5.129 84 HE3 LYS 439 HE1 LYS 439 3.093 -7.262 5.137 85 HZ1 LYS 439 HZ1 LYS 439 2.153 -5.380 7.242 86 HZ2 LYS 439 HZ2 LYS 439 1.906 -7.059 7.223 87 HZ3 LYS 439 HZ3 LYS 439 1.182 -6.084 6.040 88 H THR 440 HN THR 440 7.713 -7.389 2.505 89 HA THR 440 HA THR 440 7.938 -10.082 1.336 90 HB THR 440 HB THR 440 10.264 -9.097 0.614 91 HG1 THR 440 HG1 THR 440 10.461 -7.107 1.269 92 HG21 THR 440 HG21 THR 440 8.485 -9.755 -0.936 93 HG22 THR 440 HG22 THR 440 9.286 -8.277 -1.464 94 HG23 THR 440 HG23 THR 440 7.700 -8.195 -0.700 95 H ALA 441 HN ALA 441 9.791 -11.394 1.942 96 HA ALA 441 HA ALA 441 9.892 -11.590 4.735 97 HB1 ALA 441 HB1 ALA 441 11.710 -12.906 2.722 98 HB2 ALA 441 HB2 ALA 441 10.125 -13.497 3.222 99 HB3 ALA 441 HB3 ALA 441 11.447 -13.422 4.387 100 H ASP 442 HN ASP 442 11.677 -9.488 2.792 101 HA ASP 442 HA ASP 442 13.978 -9.393 4.567 102 HB2 ASP 442 HB2 ASP 442 14.904 -7.773 3.077 103 HB3 ASP 442 HB1 ASP 442 14.171 -9.022 2.075 104 H GLY 443 HN GLY 443 10.864 -8.243 4.589 105 HA2 GLY 443 HA2 GLY 443 9.973 -7.192 6.498 106 HA3 GLY 443 HA1 GLY 443 11.564 -6.524 6.848 107 H LYS 444 HN LYS 444 10.256 -6.332 3.653 108 HA LYS 444 HA LYS 444 9.882 -3.465 3.861 109 HB2 LYS 444 HB2 LYS 444 9.293 -5.404 1.629 110 HB3 LYS 444 HB1 LYS 444 9.034 -3.685 1.534 111 HG2 LYS 444 HG2 LYS 444 11.631 -5.052 1.895 112 HG3 LYS 444 HG1 LYS 444 11.043 -4.359 0.400 113 HD2 LYS 444 HD2 LYS 444 12.424 -2.675 1.141 114 HD3 LYS 444 HD1 LYS 444 10.881 -2.172 1.826 115 HE2 LYS 444 HE2 LYS 444 11.495 -3.181 3.961 116 HE3 LYS 444 HE1 LYS 444 13.031 -3.711 3.277 117 HZ1 LYS 444 HZ1 LYS 444 12.143 -0.901 3.640 118 HZ2 LYS 444 HZ2 LYS 444 13.586 -1.369 2.881 119 HZ3 LYS 444 HZ3 LYS 444 13.342 -1.706 4.527 120 H THR 445 HN THR 445 7.997 -2.559 4.459 121 HA THR 445 HA THR 445 5.579 -4.122 3.868 122 HB THR 445 HB THR 445 5.833 -1.519 5.411 123 HG1 THR 445 HG1 THR 445 6.283 -4.087 6.125 124 HG21 THR 445 HG21 THR 445 3.524 -1.991 6.128 125 HG22 THR 445 HG22 THR 445 3.487 -3.399 5.067 126 HG23 THR 445 HG23 THR 445 3.633 -1.782 4.381 127 H TYR 446 HN TYR 446 5.794 -3.865 1.623 128 HA TYR 446 HA TYR 446 5.490 -1.153 0.578 129 HB2 TYR 446 HB2 TYR 446 5.690 -2.160 -1.635 130 HB3 TYR 446 HB1 TYR 446 7.004 -2.693 -0.594 131 HD1 TYR 446 HD1 TYR 446 6.639 -4.991 0.597 132 HD2 TYR 446 HD2 TYR 446 4.499 -3.716 -2.851 133 HE1 TYR 446 HE1 TYR 446 6.107 -7.328 0.077 134 HE2 TYR 446 HE2 TYR 446 3.955 -6.050 -3.386 135 HH TYR 446 HH TYR 446 4.388 -8.588 -1.180 136 H TYR 447 HN TYR 447 3.732 -0.496 -0.698 137 HA TYR 447 HA TYR 447 1.258 -1.778 0.197 138 HB2 TYR 447 HB2 TYR 447 1.657 1.009 -0.925 139 HB3 TYR 447 HB1 TYR 447 0.180 0.363 -0.213 140 HD1 TYR 447 HD1 TYR 447 -0.036 0.076 2.202 141 HD2 TYR 447 HD2 TYR 447 3.561 1.581 0.487 142 HE1 TYR 447 HE1 TYR 447 0.720 0.799 4.427 143 HE2 TYR 447 HE2 TYR 447 4.324 2.302 2.707 144 HH TYR 447 HH TYR 447 2.801 1.309 5.598 145 H TYR 448 HN TYR 448 0.283 -3.020 -1.124 146 HA TYR 448 HA TYR 448 0.354 -2.491 -4.016 147 HB2 TYR 448 HB2 TYR 448 1.522 -4.590 -3.272 148 HB3 TYR 448 HB1 TYR 448 -0.008 -5.156 -2.621 149 HD1 TYR 448 HD1 TYR 448 -1.837 -5.815 -4.146 150 HD2 TYR 448 HD2 TYR 448 1.984 -4.661 -5.621 151 HE1 TYR 448 HE1 TYR 448 -2.364 -6.855 -6.312 152 HE2 TYR 448 HE2 TYR 448 1.462 -5.691 -7.791 153 HH TYR 448 HH TYR 448 -0.033 -7.505 -8.648 154 H ASN 449 HN ASN 449 -1.584 -1.652 -4.592 155 HA ASN 449 HA ASN 449 -3.922 -2.239 -2.953 156 HB2 ASN 449 HB2 ASN 449 -3.678 -0.051 -3.119 157 HB3 ASN 449 HB1 ASN 449 -3.242 -0.089 -4.818 158 HD21 ASN 449 HD21 ASN 449 -5.119 1.677 -3.668 159 HD22 ASN 449 HD22 ASN 449 -6.672 1.348 -4.336 160 H ASN 450 HN ASN 450 -6.013 -2.777 -3.825 161 HA ASN 450 HA ASN 450 -5.264 -5.052 -5.530 162 HB2 ASN 450 HB2 ASN 450 -6.996 -6.310 -4.268 163 HB3 ASN 450 HB1 ASN 450 -5.645 -5.732 -3.303 164 HD21 ASN 450 HD21 ASN 450 -6.080 -4.326 -1.504 165 HD22 ASN 450 HD22 ASN 450 -7.710 -3.802 -1.168 166 H ARG 451 HN ARG 451 -7.222 -2.321 -5.604 167 HA ARG 451 HA ARG 451 -9.145 -3.662 -7.378 168 HB2 ARG 451 HB2 ARG 451 -10.397 -1.567 -7.383 169 HB3 ARG 451 HB1 ARG 451 -10.125 -2.134 -5.741 170 HG2 ARG 451 HG2 ARG 451 -8.459 -0.484 -5.369 171 HG3 ARG 451 HG1 ARG 451 -8.430 -0.042 -7.078 172 HD2 ARG 451 HD2 ARG 451 -10.818 0.266 -5.268 173 HD3 ARG 451 HD1 ARG 451 -9.675 1.556 -5.636 174 HE ARG 451 HE ARG 451 -11.026 0.256 -7.881 175 HH11 ARG 451 HH11 ARG 451 -10.724 3.007 -5.730 176 HH12 ARG 451 HH12 ARG 451 -11.624 4.083 -6.767 177 HH21 ARG 451 HH21 ARG 451 -12.225 1.666 -9.252 178 HH22 ARG 451 HH22 ARG 451 -12.471 3.314 -8.763 179 H THR 452 HN THR 452 -6.361 -1.724 -7.420 180 HA THR 452 HA THR 452 -6.609 -1.392 -10.331 181 HB THR 452 HB THR 452 -5.295 0.659 -8.556 182 HG1 THR 452 HG1 THR 452 -7.253 1.814 -8.651 183 HG21 THR 452 HG21 THR 452 -4.726 0.694 -10.943 184 HG22 THR 452 HG22 THR 452 -5.633 2.126 -10.457 185 HG23 THR 452 HG23 THR 452 -6.440 0.829 -11.339 186 H LEU 453 HN LEU 453 -4.876 -2.415 -7.656 187 HA LEU 453 HA LEU 453 -2.933 -3.334 -7.251 188 HB2 LEU 453 HB2 LEU 453 -1.933 -4.765 -9.073 189 HB3 LEU 453 HB1 LEU 453 -3.553 -5.123 -8.478 190 HG LEU 453 HG LEU 453 -4.126 -3.556 -10.633 191 HD11 LEU 453 HD11 LEU 453 -1.660 -5.125 -11.378 192 HD12 LEU 453 HD12 LEU 453 -1.793 -3.367 -11.316 193 HD13 LEU 453 HD13 LEU 453 -2.728 -4.280 -12.500 194 HD21 LEU 453 HD21 LEU 453 -3.680 -6.537 -10.604 195 HD22 LEU 453 HD22 LEU 453 -4.640 -5.654 -11.790 196 HD23 LEU 453 HD23 LEU 453 -5.145 -5.691 -10.101 197 H TYR 454 HN TYR 454 -1.750 -1.922 -6.571 198 HA TYR 454 HA TYR 454 0.102 -0.422 -8.338 199 HB2 TYR 454 HB2 TYR 454 -0.720 0.195 -5.494 200 HB3 TYR 454 HB1 TYR 454 0.212 1.229 -6.525 201 HD1 TYR 454 HD1 TYR 454 -2.991 -0.265 -5.995 202 HD2 TYR 454 HD2 TYR 454 -0.907 2.842 -7.935 203 HE1 TYR 454 HE1 TYR 454 -5.100 0.766 -6.440 204 HE2 TYR 454 HE2 TYR 454 -3.042 3.954 -8.464 205 HH TYR 454 HH TYR 454 -5.391 3.449 -8.668 206 H SER 455 HN SER 455 2.272 -0.868 -8.011 207 HA SER 455 HA SER 455 2.968 -2.061 -5.418 208 HB2 SER 455 HB2 SER 455 5.203 -2.535 -6.633 209 HB3 SER 455 HB1 SER 455 3.806 -3.550 -7.021 210 HG SER 455 HG SER 455 4.963 -1.461 -8.539 211 H THR 456 HN THR 456 3.299 -0.345 -4.104 212 HA THR 456 HA THR 456 5.471 1.427 -4.928 213 HB THR 456 HB THR 456 3.507 2.748 -5.324 214 HG1 THR 456 HG1 THR 456 5.406 3.662 -4.178 215 HG21 THR 456 HG21 THR 456 2.716 2.189 -2.468 216 HG22 THR 456 HG22 THR 456 1.903 1.575 -3.908 217 HG23 THR 456 HG23 THR 456 1.898 3.305 -3.563 218 H TRP 457 HN TRP 457 7.028 1.474 -3.555 219 HA TRP 457 HA TRP 457 6.845 0.215 -0.980 220 HB2 TRP 457 HB2 TRP 457 9.160 1.842 -2.040 221 HB3 TRP 457 HB1 TRP 457 9.204 0.575 -0.821 222 HD1 TRP 457 HD1 TRP 457 9.078 1.102 -4.594 223 HE1 TRP 457 HE1 TRP 457 9.588 -1.129 -5.777 224 HE3 TRP 457 HE3 TRP 457 9.042 -1.991 -0.520 225 HZ2 TRP 457 HZ2 TRP 457 9.936 -3.837 -5.064 226 HZ3 TRP 457 HZ3 TRP 457 9.475 -4.388 -0.860 227 HH2 TRP 457 HH2 TRP 457 9.914 -5.293 -3.085 228 H GLU 458 HN GLU 458 6.068 3.264 -2.052 229 HA GLU 458 HA GLU 458 6.695 4.556 0.508 230 HB2 GLU 458 HB2 GLU 458 7.458 5.822 -1.401 231 HB3 GLU 458 HB1 GLU 458 5.886 5.699 -2.173 232 HG2 GLU 458 HG2 GLU 458 6.193 7.911 -1.280 233 HG3 GLU 458 HG1 GLU 458 4.914 7.081 -0.395 234 H LYS 459 HN LYS 459 5.115 5.305 1.824 235 HA LYS 459 HA LYS 459 2.568 4.034 1.641 236 HB2 LYS 459 HB2 LYS 459 3.836 4.558 3.765 237 HB3 LYS 459 HB1 LYS 459 3.400 6.242 3.529 238 HG2 LYS 459 HG2 LYS 459 1.043 5.681 3.704 239 HG3 LYS 459 HG1 LYS 459 1.446 3.973 3.894 240 HD2 LYS 459 HD2 LYS 459 2.832 4.681 5.906 241 HD3 LYS 459 HD1 LYS 459 2.041 6.251 5.769 242 HE2 LYS 459 HE2 LYS 459 -0.155 4.927 5.822 243 HE3 LYS 459 HE1 LYS 459 0.824 3.585 6.404 244 HZ1 LYS 459 HZ1 LYS 459 1.568 5.010 8.242 245 HZ2 LYS 459 HZ2 LYS 459 -0.114 4.787 8.248 246 HZ3 LYS 459 HZ3 LYS 459 0.545 6.247 7.694 247 HA PRO 460 HA PRO 460 0.565 7.112 -0.952 248 HB2 PRO 460 HB2 PRO 460 -1.976 6.261 -0.176 249 HB3 PRO 460 HB1 PRO 460 -1.057 5.615 -1.536 250 HG2 PRO 460 HG2 PRO 460 -1.338 4.549 1.238 251 HG3 PRO 460 HG1 PRO 460 -1.288 3.671 -0.306 252 HD2 PRO 460 HD2 PRO 460 0.843 3.741 1.292 253 HD3 PRO 460 HD1 PRO 460 1.029 3.860 -0.471 254 H GLN 461 HN GLN 461 -0.407 9.092 -0.546 255 HA GLN 461 HA GLN 461 0.012 10.118 2.059 256 HB2 GLN 461 HB2 GLN 461 0.250 11.414 -0.081 257 HB3 GLN 461 HB1 GLN 461 -1.506 11.445 -0.193 258 HG2 GLN 461 HG2 GLN 461 -0.675 13.522 0.718 259 HG3 GLN 461 HG1 GLN 461 -1.619 12.655 1.928 260 HE21 GLN 461 HE21 GLN 461 -0.650 13.694 3.647 261 HE22 GLN 461 HE22 GLN 461 0.990 13.389 4.119 262 H GLU 462 HN GLU 462 -2.725 8.713 0.511 263 HA GLU 462 HA GLU 462 -4.664 9.805 2.328 264 HB2 GLU 462 HB2 GLU 462 -6.049 7.782 1.370 265 HB3 GLU 462 HB1 GLU 462 -5.732 9.202 0.387 266 HG2 GLU 462 HG2 GLU 462 -3.963 6.783 0.274 267 HG3 GLU 462 HG1 GLU 462 -5.443 6.898 -0.677 268 H LEU 463 HN LEU 463 -2.312 7.417 2.584 269 HA LEU 463 HA LEU 463 -3.705 6.223 4.891 270 HB2 LEU 463 HB2 LEU 463 -1.695 5.074 2.984 271 HB3 LEU 463 HB1 LEU 463 -1.843 4.425 4.603 272 HG LEU 463 HG LEU 463 -4.266 3.976 4.103 273 HD11 LEU 463 HD11 LEU 463 -4.939 3.865 1.761 274 HD12 LEU 463 HD12 LEU 463 -3.401 4.582 1.284 275 HD13 LEU 463 HD13 LEU 463 -4.551 5.518 2.240 276 HD21 LEU 463 HD21 LEU 463 -2.570 2.229 4.058 277 HD22 LEU 463 HD22 LEU 463 -2.218 2.607 2.372 278 HD23 LEU 463 HD23 LEU 463 -3.796 1.959 2.820 279 H LYS 464 HN LYS 464 -0.969 8.015 3.831 280 HA LYS 464 HA LYS 464 1.001 7.225 5.606 281 HB2 LYS 464 HB2 LYS 464 1.361 8.670 3.625 282 HB3 LYS 464 HB1 LYS 464 0.607 10.004 4.488 283 HG2 LYS 464 HG2 LYS 464 2.372 10.023 6.115 284 HG3 LYS 464 HG1 LYS 464 3.085 8.569 5.416 285 HD2 LYS 464 HD2 LYS 464 2.749 11.156 3.906 286 HD3 LYS 464 HD1 LYS 464 4.213 10.728 4.791 287 HE2 LYS 464 HE2 LYS 464 3.018 9.043 2.595 288 HE3 LYS 464 HE1 LYS 464 4.287 10.237 2.337 289 HZ1 LYS 464 HZ1 LYS 464 4.514 7.899 4.164 290 HZ2 LYS 464 HZ2 LYS 464 5.737 9.010 3.795 291 HZ3 LYS 464 HZ3 LYS 464 5.154 7.965 2.595 Start of MODEL 19 1 H1 GLY 428 HT1 GLY 428 -4.140 10.169 7.581 2 H2 GLY 428 HT2 GLY 428 -4.153 11.852 7.785 3 H3 GLY 428 HT3 GLY 428 -2.867 11.106 6.966 4 HA2 GLY 428 HA1 GLY 428 -4.446 12.214 5.458 5 HA3 GLY 428 HA2 GLY 428 -4.256 10.493 5.153 6 H ALA 429 HN ALA 429 -6.472 11.769 4.208 7 HA ALA 429 HA ALA 429 -8.623 11.051 6.072 8 HB1 ALA 429 HB1 ALA 429 -10.115 12.201 4.521 9 HB2 ALA 429 HB2 ALA 429 -8.771 12.476 3.416 10 HB3 ALA 429 HB3 ALA 429 -8.781 13.249 4.999 11 H THR 430 HN THR 430 -10.462 9.835 5.172 12 HA THR 430 HA THR 430 -11.266 7.849 4.471 13 HB THR 430 HB THR 430 -11.016 7.353 2.025 14 HG1 THR 430 HG1 THR 430 -8.873 8.797 2.183 15 HG21 THR 430 HG21 THR 430 -12.266 9.338 1.297 16 HG22 THR 430 HG22 THR 430 -11.793 10.169 2.780 17 HG23 THR 430 HG23 THR 430 -12.829 8.743 2.858 18 H ALA 431 HN ALA 431 -10.445 6.203 5.575 19 HA ALA 431 HA ALA 431 -7.768 5.272 5.313 20 HB1 ALA 431 HB1 ALA 431 -8.467 3.449 6.774 21 HB2 ALA 431 HB2 ALA 431 -10.156 3.903 6.545 22 HB3 ALA 431 HB3 ALA 431 -9.054 5.000 7.376 23 H VAL 432 HN VAL 432 -10.773 4.522 3.785 24 HA VAL 432 HA VAL 432 -11.471 3.110 2.180 25 HB VAL 432 HB VAL 432 -10.181 2.969 0.172 26 HG11 VAL 432 HG11 VAL 432 -11.172 5.114 0.669 27 HG12 VAL 432 HG12 VAL 432 -9.647 5.330 -0.192 28 HG13 VAL 432 HG13 VAL 432 -9.725 5.606 1.549 29 HG21 VAL 432 HG21 VAL 432 -7.846 3.714 0.019 30 HG22 VAL 432 HG22 VAL 432 -8.018 2.289 1.043 31 HG23 VAL 432 HG23 VAL 432 -7.791 3.878 1.774 32 H SER 433 HN SER 433 -10.768 1.127 0.714 33 HA SER 433 HA SER 433 -9.246 -0.793 2.335 34 HB2 SER 433 HB2 SER 433 -11.716 -1.096 2.702 35 HB3 SER 433 HB1 SER 433 -11.878 -1.445 0.982 36 HG SER 433 HG SER 433 -9.953 -2.905 2.365 37 H GLU 434 HN GLU 434 -9.645 0.772 -0.535 38 HA GLU 434 HA GLU 434 -9.235 -1.291 -2.418 39 HB2 GLU 434 HB2 GLU 434 -8.597 0.499 -3.976 40 HB3 GLU 434 HB1 GLU 434 -10.078 0.857 -3.121 41 HG2 GLU 434 HG2 GLU 434 -9.006 2.445 -1.734 42 HG3 GLU 434 HG1 GLU 434 -7.418 1.965 -2.340 43 H TRP 435 HN TRP 435 -7.103 0.462 -0.344 44 HA TRP 435 HA TRP 435 -4.763 -0.254 -1.913 45 HB2 TRP 435 HB2 TRP 435 -5.270 1.500 0.466 46 HB3 TRP 435 HB1 TRP 435 -3.635 0.929 0.144 47 HD1 TRP 435 HD1 TRP 435 -6.367 3.176 -1.353 48 HE1 TRP 435 HE1 TRP 435 -5.267 4.721 -3.094 49 HE3 TRP 435 HE3 TRP 435 -1.687 1.127 -1.398 50 HZ2 TRP 435 HZ2 TRP 435 -2.727 5.021 -4.331 51 HZ3 TRP 435 HZ3 TRP 435 0.013 2.085 -2.889 52 HH2 TRP 435 HH2 TRP 435 -0.490 3.990 -4.319 53 H THR 436 HN THR 436 -3.205 -1.721 -1.249 54 HA THR 436 HA THR 436 -3.987 -3.202 1.032 55 HB THR 436 HB THR 436 -3.538 -4.313 -1.647 56 HG1 THR 436 HG1 THR 436 -4.965 -5.288 0.628 57 HG21 THR 436 HG21 THR 436 -2.808 -6.486 -0.786 58 HG22 THR 436 HG22 THR 436 -2.670 -5.804 0.834 59 HG23 THR 436 HG23 THR 436 -1.606 -5.240 -0.453 60 H GLU 437 HN GLU 437 -2.279 -3.699 2.445 61 HA GLU 437 HA GLU 437 0.372 -2.972 1.391 62 HB2 GLU 437 HB2 GLU 437 1.118 -2.519 3.629 63 HB3 GLU 437 HB1 GLU 437 -0.370 -1.633 3.340 64 HG2 GLU 437 HG2 GLU 437 -0.425 -4.289 4.656 65 HG3 GLU 437 HG1 GLU 437 -0.003 -2.853 5.581 66 H TYR 438 HN TYR 438 1.889 -4.419 1.235 67 HA TYR 438 HA TYR 438 1.525 -7.042 2.510 68 HB2 TYR 438 HB2 TYR 438 2.441 -6.410 -0.279 69 HB3 TYR 438 HB1 TYR 438 2.896 -7.909 0.502 70 HD1 TYR 438 HD1 TYR 438 0.559 -8.830 1.841 71 HD2 TYR 438 HD2 TYR 438 0.841 -6.834 -1.906 72 HE1 TYR 438 HE1 TYR 438 -1.539 -9.888 1.128 73 HE2 TYR 438 HE2 TYR 438 -1.265 -7.884 -2.629 74 HH TYR 438 HH TYR 438 -3.342 -9.523 -0.448 75 H LYS 439 HN LYS 439 3.395 -8.101 3.141 76 HA LYS 439 HA LYS 439 5.826 -6.446 3.228 77 HB2 LYS 439 HB2 LYS 439 4.768 -6.329 5.418 78 HB3 LYS 439 HB1 LYS 439 4.633 -8.062 5.485 79 HG2 LYS 439 HG2 LYS 439 7.045 -8.251 5.621 80 HG3 LYS 439 HG1 LYS 439 7.202 -6.498 5.473 81 HD2 LYS 439 HD2 LYS 439 7.383 -7.183 7.804 82 HD3 LYS 439 HD1 LYS 439 5.925 -6.222 7.552 83 HE2 LYS 439 HE2 LYS 439 4.642 -8.349 7.354 84 HE3 LYS 439 HE1 LYS 439 6.109 -9.219 7.796 85 HZ1 LYS 439 HZ1 LYS 439 4.600 -7.286 9.466 86 HZ2 LYS 439 HZ2 LYS 439 6.123 -7.892 9.888 87 HZ3 LYS 439 HZ3 LYS 439 4.805 -8.946 9.743 88 H THR 440 HN THR 440 7.623 -7.492 2.582 89 HA THR 440 HA THR 440 7.551 -10.416 2.478 90 HB THR 440 HB THR 440 9.971 -10.110 1.673 91 HG1 THR 440 HG1 THR 440 10.679 -8.135 1.806 92 HG21 THR 440 HG21 THR 440 9.289 -9.511 -0.625 93 HG22 THR 440 HG22 THR 440 7.722 -8.996 -0.004 94 HG23 THR 440 HG23 THR 440 8.204 -10.684 0.118 95 H ALA 441 HN ALA 441 9.069 -11.598 3.803 96 HA ALA 441 HA ALA 441 8.704 -10.575 6.410 97 HB1 ALA 441 HB1 ALA 441 8.597 -12.974 5.859 98 HB2 ALA 441 HB2 ALA 441 9.690 -12.647 7.203 99 HB3 ALA 441 HB3 ALA 441 10.342 -12.986 5.599 100 H ASP 442 HN ASP 442 11.183 -9.832 4.285 101 HA ASP 442 HA ASP 442 13.175 -9.349 6.341 102 HB2 ASP 442 HB2 ASP 442 14.556 -8.450 4.618 103 HB3 ASP 442 HB1 ASP 442 13.764 -9.861 3.929 104 H GLY 443 HN GLY 443 10.313 -8.017 5.506 105 HA2 GLY 443 HA2 GLY 443 9.321 -6.365 6.839 106 HA3 GLY 443 HA1 GLY 443 10.905 -5.710 7.168 107 H LYS 444 HN LYS 444 9.975 -6.490 3.942 108 HA LYS 444 HA LYS 444 9.933 -3.685 3.231 109 HB2 LYS 444 HB2 LYS 444 9.604 -6.205 1.611 110 HB3 LYS 444 HB1 LYS 444 9.448 -4.600 0.932 111 HG2 LYS 444 HG2 LYS 444 11.717 -4.111 1.675 112 HG3 LYS 444 HG1 LYS 444 11.884 -5.782 2.208 113 HD2 LYS 444 HD2 LYS 444 11.175 -6.345 -0.229 114 HD3 LYS 444 HD1 LYS 444 11.656 -4.683 -0.568 115 HE2 LYS 444 HE2 LYS 444 13.350 -6.922 0.508 116 HE3 LYS 444 HE1 LYS 444 13.541 -6.056 -1.014 117 HZ1 LYS 444 HZ1 LYS 444 14.162 -4.084 0.176 118 HZ2 LYS 444 HZ2 LYS 444 15.133 -5.366 0.713 119 HZ3 LYS 444 HZ3 LYS 444 13.850 -4.826 1.668 120 H THR 445 HN THR 445 8.067 -2.766 4.068 121 HA THR 445 HA THR 445 5.554 -4.041 3.322 122 HB THR 445 HB THR 445 5.904 -1.375 4.714 123 HG1 THR 445 HG1 THR 445 6.294 -3.932 5.626 124 HG21 THR 445 HG21 THR 445 3.690 -1.775 3.749 125 HG22 THR 445 HG22 THR 445 3.621 -1.824 5.511 126 HG23 THR 445 HG23 THR 445 3.596 -3.325 4.586 127 H TYR 446 HN TYR 446 5.808 -3.886 1.094 128 HA TYR 446 HA TYR 446 5.627 -1.223 -0.081 129 HB2 TYR 446 HB2 TYR 446 5.673 -2.448 -2.251 130 HB3 TYR 446 HB1 TYR 446 7.081 -2.746 -1.247 131 HD1 TYR 446 HD2 TYR 446 7.027 -4.923 0.185 132 HD2 TYR 446 HD1 TYR 446 4.498 -4.213 -3.160 133 HE1 TYR 446 HE2 TYR 446 6.651 -7.344 -0.020 134 HE2 TYR 446 HE1 TYR 446 4.109 -6.623 -3.392 135 HH TYR 446 HH TYR 446 5.068 -8.726 -2.781 136 H TYR 447 HN TYR 447 3.839 -0.485 -1.187 137 HA TYR 447 HA TYR 447 1.393 -1.765 -0.232 138 HB2 TYR 447 HB2 TYR 447 1.792 1.047 -1.264 139 HB3 TYR 447 HB1 TYR 447 0.303 0.391 -0.586 140 HD1 TYR 447 HD1 TYR 447 0.565 -0.702 1.791 141 HD2 TYR 447 HD2 TYR 447 3.218 2.205 0.181 142 HE1 TYR 447 HE1 TYR 447 1.307 -0.147 4.063 143 HE2 TYR 447 HE2 TYR 447 3.971 2.778 2.452 144 HH TYR 447 HH TYR 447 3.404 0.885 5.123 145 H TYR 448 HN TYR 448 0.554 -3.111 -1.531 146 HA TYR 448 HA TYR 448 0.342 -2.495 -4.393 147 HB2 TYR 448 HB2 TYR 448 1.432 -4.667 -3.727 148 HB3 TYR 448 HB1 TYR 448 -0.086 -5.145 -2.979 149 HD1 TYR 448 HD2 TYR 448 -2.080 -5.584 -4.408 150 HD2 TYR 448 HD1 TYR 448 1.759 -4.815 -6.075 151 HE1 TYR 448 HE2 TYR 448 -2.827 -6.530 -6.550 152 HE2 TYR 448 HE1 TYR 448 1.023 -5.761 -8.220 153 HH TYR 448 HH TYR 448 -0.674 -7.321 -9.057 154 H ASN 449 HN ASN 449 -1.584 -1.547 -4.828 155 HA ASN 449 HA ASN 449 -3.848 -2.053 -3.098 156 HB2 ASN 449 HB2 ASN 449 -3.541 0.114 -3.270 157 HB3 ASN 449 HB1 ASN 449 -3.139 0.047 -4.980 158 HD21 ASN 449 HD21 ASN 449 -5.040 1.770 -3.563 159 HD22 ASN 449 HD22 ASN 449 -6.568 1.541 -4.335 160 H ASN 450 HN ASN 450 -5.899 -2.617 -3.778 161 HA ASN 450 HA ASN 450 -5.478 -4.788 -5.717 162 HB2 ASN 450 HB2 ASN 450 -7.114 -6.037 -4.327 163 HB3 ASN 450 HB1 ASN 450 -5.654 -5.566 -3.467 164 HD21 ASN 450 HD21 ASN 450 -5.853 -4.193 -1.583 165 HD22 ASN 450 HD22 ASN 450 -7.417 -3.628 -1.073 166 H ARG 451 HN ARG 451 -6.980 -1.942 -5.446 167 HA ARG 451 HA ARG 451 -9.405 -2.678 -6.907 168 HB2 ARG 451 HB2 ARG 451 -9.638 -0.970 -5.197 169 HB3 ARG 451 HB1 ARG 451 -8.325 -0.038 -5.888 170 HG2 ARG 451 HG2 ARG 451 -9.691 0.317 -7.906 171 HG3 ARG 451 HG1 ARG 451 -11.017 -0.540 -7.122 172 HD2 ARG 451 HD2 ARG 451 -10.929 1.123 -5.282 173 HD3 ARG 451 HD1 ARG 451 -9.717 2.017 -6.199 174 HE ARG 451 HE ARG 451 -11.918 1.636 -7.866 175 HH11 ARG 451 HH11 ARG 451 -11.081 3.381 -4.932 176 HH12 ARG 451 HH12 ARG 451 -12.319 4.586 -5.156 177 HH21 ARG 451 HH21 ARG 451 -13.519 3.197 -8.158 178 HH22 ARG 451 HH22 ARG 451 -13.721 4.477 -6.998 179 H THR 452 HN THR 452 -6.838 -0.287 -7.240 180 HA THR 452 HA THR 452 -7.100 -0.332 -10.149 181 HB THR 452 HB THR 452 -5.206 1.585 -9.176 182 HG1 THR 452 HG1 THR 452 -6.496 2.640 -7.652 183 HG21 THR 452 HG21 THR 452 -6.599 1.849 -11.183 184 HG22 THR 452 HG22 THR 452 -6.850 3.183 -10.055 185 HG23 THR 452 HG23 THR 452 -8.045 1.891 -10.170 186 H LEU 453 HN LEU 453 -5.367 -1.781 -7.802 187 HA LEU 453 HA LEU 453 -3.418 -2.759 -7.510 188 HB2 LEU 453 HB2 LEU 453 -2.612 -4.148 -9.468 189 HB3 LEU 453 HB1 LEU 453 -4.199 -4.456 -8.772 190 HG LEU 453 HG LEU 453 -4.973 -2.866 -10.761 191 HD11 LEU 453 HD11 LEU 453 -2.429 -4.076 -11.831 192 HD12 LEU 453 HD12 LEU 453 -2.723 -2.359 -11.558 193 HD13 LEU 453 HD13 LEU 453 -3.653 -3.230 -12.778 194 HD21 LEU 453 HD21 LEU 453 -5.707 -5.157 -10.399 195 HD22 LEU 453 HD22 LEU 453 -4.214 -5.760 -11.119 196 HD23 LEU 453 HD23 LEU 453 -5.370 -4.864 -12.105 197 H TYR 454 HN TYR 454 -1.977 -1.625 -6.849 198 HA TYR 454 HA TYR 454 -0.117 -0.183 -8.654 199 HB2 TYR 454 HB2 TYR 454 -0.695 0.381 -5.746 200 HB3 TYR 454 HB1 TYR 454 0.270 1.364 -6.787 201 HD1 TYR 454 HD1 TYR 454 -2.972 0.243 -5.951 202 HD2 TYR 454 HD2 TYR 454 -0.830 3.140 -8.128 203 HE1 TYR 454 HE1 TYR 454 -4.986 1.496 -6.071 204 HE2 TYR 454 HE2 TYR 454 -2.889 4.505 -8.338 205 HH TYR 454 HH TYR 454 -5.665 3.885 -6.435 206 H SER 455 HN SER 455 2.134 -0.610 -8.206 207 HA SER 455 HA SER 455 2.589 -1.898 -5.611 208 HB2 SER 455 HB2 SER 455 4.694 -2.898 -6.611 209 HB3 SER 455 HB1 SER 455 3.164 -3.600 -7.141 210 HG SER 455 HG SER 455 3.728 -3.116 -9.097 211 H THR 456 HN THR 456 3.037 -0.150 -4.466 212 HA THR 456 HA THR 456 5.252 1.520 -5.431 213 HB THR 456 HB THR 456 3.266 2.874 -5.457 214 HG1 THR 456 HG1 THR 456 4.140 4.020 -3.178 215 HG21 THR 456 HG21 THR 456 2.896 2.152 -2.550 216 HG22 THR 456 HG22 THR 456 1.891 1.587 -3.883 217 HG23 THR 456 HG23 THR 456 1.920 3.299 -3.462 218 H TRP 457 HN TRP 457 6.992 1.377 -4.310 219 HA TRP 457 HA TRP 457 7.059 0.173 -1.701 220 HB2 TRP 457 HB2 TRP 457 9.282 1.464 -3.304 221 HB3 TRP 457 HB1 TRP 457 9.487 0.431 -1.891 222 HD1 TRP 457 HD1 TRP 457 8.521 0.266 -5.602 223 HE1 TRP 457 HE1 TRP 457 8.708 -2.177 -6.397 224 HE3 TRP 457 HE3 TRP 457 9.454 -1.974 -1.102 225 HZ2 TRP 457 HZ2 TRP 457 9.199 -4.709 -5.261 226 HZ3 TRP 457 HZ3 TRP 457 9.771 -4.411 -1.045 227 HH2 TRP 457 HH2 TRP 457 9.644 -5.747 -3.081 228 H GLU 458 HN GLU 458 6.230 3.159 -2.692 229 HA GLU 458 HA GLU 458 7.294 4.449 -0.271 230 HB2 GLU 458 HB2 GLU 458 7.983 5.459 -2.468 231 HB3 GLU 458 HB1 GLU 458 6.289 5.827 -2.765 232 HG2 GLU 458 HG2 GLU 458 6.221 7.263 -0.825 233 HG3 GLU 458 HG1 GLU 458 7.886 6.842 -0.427 234 H LYS 459 HN LYS 459 5.910 5.253 1.163 235 HA LYS 459 HA LYS 459 3.257 4.341 1.283 236 HB2 LYS 459 HB2 LYS 459 4.909 5.039 3.130 237 HB3 LYS 459 HB1 LYS 459 4.338 6.673 2.848 238 HG2 LYS 459 HG2 LYS 459 2.063 5.959 3.401 239 HG3 LYS 459 HG1 LYS 459 2.664 4.325 3.711 240 HD2 LYS 459 HD2 LYS 459 4.267 5.412 5.372 241 HD3 LYS 459 HD1 LYS 459 3.268 6.858 5.220 242 HE2 LYS 459 HE2 LYS 459 2.487 5.682 7.120 243 HE3 LYS 459 HE1 LYS 459 1.296 5.436 5.845 244 HZ1 LYS 459 HZ1 LYS 459 3.402 3.510 6.678 245 HZ2 LYS 459 HZ2 LYS 459 2.317 3.263 5.405 246 HZ3 LYS 459 HZ3 LYS 459 1.742 3.377 6.997 247 HA PRO 460 HA PRO 460 1.391 7.574 -1.210 248 HB2 PRO 460 HB2 PRO 460 -1.133 6.621 -1.099 249 HB3 PRO 460 HB1 PRO 460 0.111 5.891 -2.118 250 HG2 PRO 460 HG2 PRO 460 -0.946 4.998 0.524 251 HG3 PRO 460 HG1 PRO 460 -0.472 4.033 -0.883 252 HD2 PRO 460 HD2 PRO 460 1.107 4.402 1.348 253 HD3 PRO 460 HD1 PRO 460 1.720 3.985 -0.261 254 H GLN 461 HN GLN 461 -0.288 9.220 -0.912 255 HA GLN 461 HA GLN 461 0.035 10.436 1.602 256 HB2 GLN 461 HB2 GLN 461 -0.329 11.606 -0.590 257 HB3 GLN 461 HB1 GLN 461 -2.028 11.168 -0.473 258 HG2 GLN 461 HG2 GLN 461 -1.772 13.414 0.281 259 HG3 GLN 461 HG1 GLN 461 -2.148 12.397 1.672 260 HE21 GLN 461 HE21 GLN 461 -1.248 13.809 3.151 261 HE22 GLN 461 HE22 GLN 461 0.456 14.068 3.276 262 H GLU 462 HN GLU 462 -2.491 8.368 0.370 263 HA GLU 462 HA GLU 462 -4.406 9.095 2.377 264 HB2 GLU 462 HB2 GLU 462 -5.562 6.950 1.618 265 HB3 GLU 462 HB1 GLU 462 -5.387 8.231 0.431 266 HG2 GLU 462 HG2 GLU 462 -3.299 6.119 0.547 267 HG3 GLU 462 HG1 GLU 462 -4.871 5.719 -0.147 268 H LEU 463 HN LEU 463 -1.573 7.355 2.541 269 HA LEU 463 HA LEU 463 -2.560 5.798 4.835 270 HB2 LEU 463 HB2 LEU 463 -0.174 5.391 3.044 271 HB3 LEU 463 HB1 LEU 463 -0.354 4.555 4.573 272 HG LEU 463 HG LEU 463 -2.278 4.349 2.253 273 HD11 LEU 463 HD11 LEU 463 -1.397 2.081 2.011 274 HD12 LEU 463 HD12 LEU 463 -0.210 2.409 3.274 275 HD13 LEU 463 HD13 LEU 463 -0.144 3.294 1.751 276 HD21 LEU 463 HD21 LEU 463 -2.134 2.847 4.859 277 HD22 LEU 463 HD22 LEU 463 -3.248 2.514 3.533 278 HD23 LEU 463 HD23 LEU 463 -3.358 4.038 4.415 279 H LYS 464 HN LYS 464 -1.011 8.627 4.134 280 HA LYS 464 HA LYS 464 0.372 8.595 6.718 281 HB2 LYS 464 HB2 LYS 464 2.202 9.972 5.700 282 HB3 LYS 464 HB1 LYS 464 2.138 8.311 5.129 283 HG2 LYS 464 HG2 LYS 464 0.958 9.103 3.100 284 HG3 LYS 464 HG1 LYS 464 1.167 10.760 3.669 285 HD2 LYS 464 HD2 LYS 464 3.622 10.394 3.676 286 HD3 LYS 464 HD1 LYS 464 3.351 8.793 2.979 287 HE2 LYS 464 HE2 LYS 464 2.178 9.896 1.080 288 HE3 LYS 464 HE1 LYS 464 2.638 11.458 1.759 289 HZ1 LYS 464 HZ1 LYS 464 4.210 10.915 0.099 290 HZ2 LYS 464 HZ2 LYS 464 4.435 9.349 0.707 291 HZ3 LYS 464 HZ3 LYS 464 4.993 10.687 1.586 Start of MODEL 20 1 H1 GLY 428 HT1 GLY 428 -14.341 6.770 12.732 2 H2 GLY 428 HT2 GLY 428 -14.588 5.943 11.274 3 H3 GLY 428 HT3 GLY 428 -15.792 6.975 11.876 4 HA2 GLY 428 HA1 GLY 428 -14.294 8.877 11.613 5 HA3 GLY 428 HA2 GLY 428 -13.104 7.786 10.914 6 H ALA 429 HN ALA 429 -14.281 10.090 9.677 7 HA ALA 429 HA ALA 429 -16.241 9.190 7.774 8 HB1 ALA 429 HB1 ALA 429 -15.990 11.416 6.799 9 HB2 ALA 429 HB2 ALA 429 -14.598 11.720 7.839 10 HB3 ALA 429 HB3 ALA 429 -16.198 11.508 8.547 11 H THR 430 HN THR 430 -15.946 8.460 5.780 12 HA THR 430 HA THR 430 -14.984 7.718 3.872 13 HB THR 430 HB THR 430 -12.686 9.564 4.557 14 HG1 THR 430 HG1 THR 430 -14.566 10.187 2.584 15 HG21 THR 430 HG21 THR 430 -12.184 9.458 2.158 16 HG22 THR 430 HG22 THR 430 -13.497 8.304 1.931 17 HG23 THR 430 HG23 THR 430 -12.089 7.857 2.894 18 H ALA 431 HN ALA 431 -14.721 5.617 4.387 19 HA ALA 431 HA ALA 431 -12.337 4.783 5.856 20 HB1 ALA 431 HB1 ALA 431 -14.688 3.157 4.894 21 HB2 ALA 431 HB2 ALA 431 -14.485 3.820 6.515 22 HB3 ALA 431 HB3 ALA 431 -13.380 2.580 5.925 23 H VAL 432 HN VAL 432 -10.572 4.600 4.650 24 HA VAL 432 HA VAL 432 -10.677 3.900 1.868 25 HB VAL 432 HB VAL 432 -8.186 3.895 1.998 26 HG11 VAL 432 HG11 VAL 432 -7.961 6.302 2.411 27 HG12 VAL 432 HG12 VAL 432 -9.553 6.315 3.168 28 HG13 VAL 432 HG13 VAL 432 -9.395 5.935 1.453 29 HG21 VAL 432 HG21 VAL 432 -7.914 3.146 4.299 30 HG22 VAL 432 HG22 VAL 432 -8.662 4.631 4.884 31 HG23 VAL 432 HG23 VAL 432 -7.108 4.696 4.055 32 H SER 433 HN SER 433 -10.209 1.973 0.912 33 HA SER 433 HA SER 433 -9.341 -0.282 2.534 34 HB2 SER 433 HB2 SER 433 -12.023 -0.315 1.129 35 HB3 SER 433 HB1 SER 433 -11.279 -1.677 1.966 36 HG SER 433 HG SER 433 -11.335 0.423 3.616 37 H GLU 434 HN GLU 434 -9.195 1.405 -0.270 38 HA GLU 434 HA GLU 434 -9.235 -0.747 -2.167 39 HB2 GLU 434 HB2 GLU 434 -8.214 0.970 -3.724 40 HB3 GLU 434 HB1 GLU 434 -9.789 1.339 -3.071 41 HG2 GLU 434 HG2 GLU 434 -7.334 2.414 -1.769 42 HG3 GLU 434 HG1 GLU 434 -8.033 3.199 -3.186 43 H TRP 435 HN TRP 435 -6.844 0.659 -0.136 44 HA TRP 435 HA TRP 435 -4.662 -0.269 -1.817 45 HB2 TRP 435 HB2 TRP 435 -4.861 1.414 0.661 46 HB3 TRP 435 HB1 TRP 435 -3.313 0.737 0.163 47 HD1 TRP 435 HD1 TRP 435 -5.995 3.236 -1.015 48 HE1 TRP 435 HE1 TRP 435 -4.900 4.818 -2.744 49 HE3 TRP 435 HE3 TRP 435 -1.463 0.922 -1.468 50 HZ2 TRP 435 HZ2 TRP 435 -2.433 5.028 -4.119 51 HZ3 TRP 435 HZ3 TRP 435 0.203 1.869 -3.003 52 HH2 TRP 435 HH2 TRP 435 -0.265 3.873 -4.294 53 H THR 436 HN THR 436 -3.131 -1.816 -1.167 54 HA THR 436 HA THR 436 -3.958 -3.294 1.097 55 HB THR 436 HB THR 436 -3.615 -4.410 -1.583 56 HG1 THR 436 HG1 THR 436 -5.128 -4.936 0.762 57 HG21 THR 436 HG21 THR 436 -2.961 -6.619 -0.758 58 HG22 THR 436 HG22 THR 436 -2.754 -5.962 0.866 59 HG23 THR 436 HG23 THR 436 -1.694 -5.434 -0.442 60 H GLU 437 HN GLU 437 -2.290 -4.158 2.389 61 HA GLU 437 HA GLU 437 0.382 -3.270 1.527 62 HB2 GLU 437 HB2 GLU 437 1.033 -2.957 3.794 63 HB3 GLU 437 HB1 GLU 437 -0.496 -2.129 3.559 64 HG2 GLU 437 HG2 GLU 437 -0.198 -4.831 4.821 65 HG3 GLU 437 HG1 GLU 437 -0.279 -3.320 5.719 66 H TYR 438 HN TYR 438 1.967 -4.673 1.319 67 HA TYR 438 HA TYR 438 1.634 -7.386 2.419 68 HB2 TYR 438 HB2 TYR 438 2.686 -6.599 -0.295 69 HB3 TYR 438 HB1 TYR 438 2.985 -8.171 0.416 70 HD1 TYR 438 HD1 TYR 438 0.660 -9.280 1.349 71 HD2 TYR 438 HD2 TYR 438 1.035 -6.545 -1.887 72 HE1 TYR 438 HE1 TYR 438 -1.425 -10.146 0.381 73 HE2 TYR 438 HE2 TYR 438 -1.054 -7.403 -2.861 74 HH TYR 438 HH TYR 438 -2.416 -9.446 -2.791 75 H LYS 439 HN LYS 439 3.530 -8.405 3.090 76 HA LYS 439 HA LYS 439 5.914 -6.688 3.105 77 HB2 LYS 439 HB2 LYS 439 4.795 -8.320 5.334 78 HB3 LYS 439 HB1 LYS 439 6.533 -8.143 5.184 79 HG2 LYS 439 HG2 LYS 439 6.210 -6.349 6.460 80 HG3 LYS 439 HG1 LYS 439 5.822 -5.603 4.905 81 HD2 LYS 439 HD2 LYS 439 3.464 -5.918 5.294 82 HD3 LYS 439 HD1 LYS 439 3.795 -6.872 6.743 83 HE2 LYS 439 HE2 LYS 439 4.998 -4.766 7.596 84 HE3 LYS 439 HE1 LYS 439 4.123 -3.922 6.318 85 HZ1 LYS 439 HZ1 LYS 439 2.964 -5.451 8.580 86 HZ2 LYS 439 HZ2 LYS 439 2.049 -4.844 7.292 87 HZ3 LYS 439 HZ3 LYS 439 2.871 -3.779 8.323 88 H THR 440 HN THR 440 7.827 -7.541 2.885 89 HA THR 440 HA THR 440 8.034 -10.289 1.873 90 HB THR 440 HB THR 440 10.339 -9.753 1.297 91 HG1 THR 440 HG1 THR 440 11.335 -8.022 2.054 92 HG21 THR 440 HG21 THR 440 8.567 -7.475 0.432 93 HG22 THR 440 HG22 THR 440 8.530 -9.088 -0.276 94 HG23 THR 440 HG23 THR 440 9.984 -8.098 -0.413 95 H ALA 441 HN ALA 441 9.438 -11.797 2.903 96 HA ALA 441 HA ALA 441 9.389 -11.911 5.653 97 HB1 ALA 441 HB1 ALA 441 11.070 -13.660 5.496 98 HB2 ALA 441 HB2 ALA 441 11.478 -13.141 3.861 99 HB3 ALA 441 HB3 ALA 441 9.886 -13.820 4.199 100 H ASP 442 HN ASP 442 11.603 -10.031 3.697 101 HA ASP 442 HA ASP 442 13.445 -9.658 5.915 102 HB2 ASP 442 HB2 ASP 442 14.819 -8.379 4.438 103 HB3 ASP 442 HB1 ASP 442 14.259 -9.782 3.540 104 H GLY 443 HN GLY 443 10.508 -8.405 5.090 105 HA2 GLY 443 HA2 GLY 443 9.352 -7.017 6.593 106 HA3 GLY 443 HA1 GLY 443 10.886 -6.349 7.127 107 H LYS 444 HN LYS 444 10.170 -6.660 3.746 108 HA LYS 444 HA LYS 444 10.134 -3.814 3.366 109 HB2 LYS 444 HB2 LYS 444 9.650 -6.154 1.534 110 HB3 LYS 444 HB1 LYS 444 9.446 -4.490 1.001 111 HG2 LYS 444 HG2 LYS 444 11.732 -4.049 1.683 112 HG3 LYS 444 HG1 LYS 444 11.952 -5.753 2.051 113 HD2 LYS 444 HD2 LYS 444 11.463 -6.317 -0.282 114 HD3 LYS 444 HD1 LYS 444 11.239 -4.605 -0.652 115 HE2 LYS 444 HE2 LYS 444 13.439 -5.262 -1.352 116 HE3 LYS 444 HE1 LYS 444 13.581 -4.197 0.045 117 HZ1 LYS 444 HZ1 LYS 444 13.781 -6.255 1.426 118 HZ2 LYS 444 HZ2 LYS 444 15.071 -5.981 0.363 119 HZ3 LYS 444 HZ3 LYS 444 13.901 -7.142 -0.014 120 H THR 445 HN THR 445 8.426 -2.614 3.867 121 HA THR 445 HA THR 445 5.781 -3.841 3.557 122 HB THR 445 HB THR 445 6.441 -1.149 4.779 123 HG1 THR 445 HG1 THR 445 7.316 -3.260 5.762 124 HG21 THR 445 HG21 THR 445 4.013 -2.936 5.027 125 HG22 THR 445 HG22 THR 445 4.104 -1.445 4.089 126 HG23 THR 445 HG23 THR 445 4.247 -1.393 5.847 127 H TYR 446 HN TYR 446 5.804 -3.768 1.284 128 HA TYR 446 HA TYR 446 5.527 -1.085 0.128 129 HB2 TYR 446 HB2 TYR 446 5.611 -2.211 -2.060 130 HB3 TYR 446 HB1 TYR 446 7.028 -2.562 -1.086 131 HD1 TYR 446 HD2 TYR 446 7.017 -4.797 0.210 132 HD2 TYR 446 HD1 TYR 446 4.399 -3.936 -3.025 133 HE1 TYR 446 HE2 TYR 446 6.649 -7.195 -0.118 134 HE2 TYR 446 HE1 TYR 446 4.022 -6.338 -3.373 135 HH TYR 446 HH TYR 446 4.964 -8.693 -1.095 136 H TYR 447 HN TYR 447 3.680 -0.478 -1.001 137 HA TYR 447 HA TYR 447 1.321 -1.924 -0.043 138 HB2 TYR 447 HB2 TYR 447 1.584 0.957 -0.936 139 HB3 TYR 447 HB1 TYR 447 0.106 0.195 -0.344 140 HD1 TYR 447 HD1 TYR 447 0.224 -0.904 1.997 141 HD2 TYR 447 HD2 TYR 447 3.029 1.970 0.604 142 HE1 TYR 447 HE1 TYR 447 0.895 -0.459 4.319 143 HE2 TYR 447 HE2 TYR 447 3.710 2.438 2.916 144 HH TYR 447 HH TYR 447 2.976 2.210 5.145 145 H TYR 448 HN TYR 448 0.588 -3.283 -1.414 146 HA TYR 448 HA TYR 448 0.379 -2.605 -4.257 147 HB2 TYR 448 HB2 TYR 448 1.441 -4.786 -3.542 148 HB3 TYR 448 HB1 TYR 448 -0.121 -5.262 -2.893 149 HD1 TYR 448 HD2 TYR 448 -2.026 -5.677 -4.451 150 HD2 TYR 448 HD1 TYR 448 1.913 -4.913 -5.867 151 HE1 TYR 448 HE2 TYR 448 -2.640 -6.605 -6.645 152 HE2 TYR 448 HE1 TYR 448 1.314 -5.838 -8.063 153 HH TYR 448 HH TYR 448 -0.348 -7.424 -8.998 154 H ASN 449 HN ASN 449 -1.502 -1.626 -4.722 155 HA ASN 449 HA ASN 449 -3.818 -2.083 -3.017 156 HB2 ASN 449 HB2 ASN 449 -3.425 0.082 -3.151 157 HB3 ASN 449 HB1 ASN 449 -3.032 0.048 -4.858 158 HD21 ASN 449 HD21 ASN 449 -4.762 1.902 -3.586 159 HD22 ASN 449 HD22 ASN 449 -6.344 1.701 -4.242 160 H ASN 450 HN ASN 450 -5.932 -2.472 -3.804 161 HA ASN 450 HA ASN 450 -5.479 -4.677 -5.691 162 HB2 ASN 450 HB2 ASN 450 -7.190 -5.888 -4.328 163 HB3 ASN 450 HB1 ASN 450 -5.694 -5.500 -3.495 164 HD21 ASN 450 HD21 ASN 450 -5.787 -4.130 -1.594 165 HD22 ASN 450 HD22 ASN 450 -7.315 -3.523 -1.030 166 H ARG 451 HN ARG 451 -7.144 -1.803 -5.514 167 HA ARG 451 HA ARG 451 -9.363 -2.817 -7.142 168 HB2 ARG 451 HB2 ARG 451 -10.258 -0.580 -7.132 169 HB3 ARG 451 HB1 ARG 451 -9.848 -1.024 -5.478 170 HG2 ARG 451 HG2 ARG 451 -7.959 0.387 -5.480 171 HG3 ARG 451 HG1 ARG 451 -8.016 0.582 -7.232 172 HD2 ARG 451 HD2 ARG 451 -10.348 1.612 -6.798 173 HD3 ARG 451 HD1 ARG 451 -9.779 1.788 -5.137 174 HE ARG 451 HE ARG 451 -8.005 2.826 -7.184 175 HH11 ARG 451 HH11 ARG 451 -10.546 3.539 -4.867 176 HH12 ARG 451 HH12 ARG 451 -10.272 5.251 -4.916 177 HH21 ARG 451 HH21 ARG 451 -7.654 5.074 -7.252 178 HH22 ARG 451 HH22 ARG 451 -8.622 6.129 -6.268 179 H THR 452 HN THR 452 -6.356 -1.161 -7.377 180 HA THR 452 HA THR 452 -6.693 -0.873 -10.284 181 HB THR 452 HB THR 452 -5.299 1.110 -8.474 182 HG1 THR 452 HG1 THR 452 -7.591 1.952 -9.735 183 HG21 THR 452 HG21 THR 452 -4.506 1.085 -10.791 184 HG22 THR 452 HG22 THR 452 -5.356 2.578 -10.390 185 HG23 THR 452 HG23 THR 452 -6.164 1.333 -11.346 186 H LEU 453 HN LEU 453 -4.946 -2.070 -7.703 187 HA LEU 453 HA LEU 453 -3.046 -3.115 -7.397 188 HB2 LEU 453 HB2 LEU 453 -2.125 -4.487 -9.296 189 HB3 LEU 453 HB1 LEU 453 -3.750 -4.820 -8.712 190 HG LEU 453 HG LEU 453 -3.502 -3.023 -11.079 191 HD11 LEU 453 HD11 LEU 453 -3.265 -4.917 -12.600 192 HD12 LEU 453 HD12 LEU 453 -3.051 -6.001 -11.226 193 HD13 LEU 453 HD13 LEU 453 -1.845 -4.759 -11.565 194 HD21 LEU 453 HD21 LEU 453 -5.677 -3.626 -10.128 195 HD22 LEU 453 HD22 LEU 453 -5.314 -5.334 -10.380 196 HD23 LEU 453 HD23 LEU 453 -5.493 -4.257 -11.765 197 H TYR 454 HN TYR 454 -1.808 -1.707 -6.700 198 HA TYR 454 HA TYR 454 0.103 -0.325 -8.491 199 HB2 TYR 454 HB2 TYR 454 -0.562 0.308 -5.609 200 HB3 TYR 454 HB1 TYR 454 0.373 1.299 -6.684 201 HD1 TYR 454 HD2 TYR 454 -2.886 -0.081 -6.101 202 HD2 TYR 454 HD1 TYR 454 -0.731 3.072 -7.893 203 HE1 TYR 454 HE2 TYR 454 -4.959 1.065 -6.393 204 HE2 TYR 454 HE1 TYR 454 -2.842 4.313 -8.251 205 HH TYR 454 HH TYR 454 -5.157 4.052 -8.290 206 H SER 455 HN SER 455 2.321 -0.569 -7.981 207 HA SER 455 HA SER 455 2.879 -1.985 -5.468 208 HB2 SER 455 HB2 SER 455 5.036 -2.763 -6.648 209 HB3 SER 455 HB1 SER 455 3.530 -3.594 -7.046 210 HG SER 455 HG SER 455 5.144 -2.002 -8.615 211 H THR 456 HN THR 456 3.304 -0.261 -4.237 212 HA THR 456 HA THR 456 5.543 1.419 -5.112 213 HB THR 456 HB THR 456 3.605 2.813 -5.296 214 HG1 THR 456 HG1 THR 456 4.265 3.926 -2.932 215 HG21 THR 456 HG21 THR 456 2.940 2.058 -2.448 216 HG22 THR 456 HG22 THR 456 2.062 1.539 -3.886 217 HG23 THR 456 HG23 THR 456 2.082 3.243 -3.430 218 H TRP 457 HN TRP 457 7.212 1.271 -3.849 219 HA TRP 457 HA TRP 457 7.091 0.180 -1.193 220 HB2 TRP 457 HB2 TRP 457 9.417 1.668 -2.428 221 HB3 TRP 457 HB1 TRP 457 9.469 0.449 -1.160 222 HD1 TRP 457 HD1 TRP 457 9.296 0.844 -4.929 223 HE1 TRP 457 HE1 TRP 457 9.628 -1.451 -6.044 224 HE3 TRP 457 HE3 TRP 457 9.070 -2.113 -0.770 225 HZ2 TRP 457 HZ2 TRP 457 9.784 -4.163 -5.256 226 HZ3 TRP 457 HZ3 TRP 457 9.316 -4.540 -1.034 227 HH2 TRP 457 HH2 TRP 457 9.665 -5.547 -3.232 228 H GLU 458 HN GLU 458 6.335 3.139 -2.459 229 HA GLU 458 HA GLU 458 7.154 4.668 -0.083 230 HB2 GLU 458 HB2 GLU 458 7.479 5.296 -2.687 231 HB3 GLU 458 HB1 GLU 458 5.883 5.984 -2.432 232 HG2 GLU 458 HG2 GLU 458 8.275 6.634 -0.735 233 HG3 GLU 458 HG1 GLU 458 7.786 7.568 -2.146 234 H LYS 459 HN LYS 459 5.593 5.740 1.160 235 HA LYS 459 HA LYS 459 3.103 4.315 1.271 236 HB2 LYS 459 HB2 LYS 459 4.364 4.935 3.301 237 HB3 LYS 459 HB1 LYS 459 4.083 6.635 2.943 238 HG2 LYS 459 HG2 LYS 459 1.653 6.234 3.140 239 HG3 LYS 459 HG1 LYS 459 1.996 4.569 3.614 240 HD2 LYS 459 HD2 LYS 459 1.588 5.990 5.563 241 HD3 LYS 459 HD1 LYS 459 3.241 5.371 5.556 242 HE2 LYS 459 HE2 LYS 459 4.062 7.480 4.703 243 HE3 LYS 459 HE1 LYS 459 2.417 8.099 4.572 244 HZ1 LYS 459 HZ1 LYS 459 3.742 8.812 6.575 245 HZ2 LYS 459 HZ2 LYS 459 3.570 7.229 7.161 246 HZ3 LYS 459 HZ3 LYS 459 2.196 8.191 6.887 247 HA PRO 460 HA PRO 460 0.762 7.118 -1.323 248 HB2 PRO 460 HB2 PRO 460 -1.682 6.161 -0.465 249 HB3 PRO 460 HB1 PRO 460 -0.719 5.447 -1.759 250 HG2 PRO 460 HG2 PRO 460 -0.932 4.636 1.112 251 HG3 PRO 460 HG1 PRO 460 -0.855 3.621 -0.342 252 HD2 PRO 460 HD2 PRO 460 1.289 3.971 1.214 253 HD3 PRO 460 HD1 PRO 460 1.438 3.874 -0.553 254 H GLN 461 HN GLN 461 -0.767 8.818 -1.060 255 HA GLN 461 HA GLN 461 -0.302 10.317 1.334 256 HB2 GLN 461 HB2 GLN 461 -0.816 10.948 -1.273 257 HB3 GLN 461 HB1 GLN 461 -2.381 11.259 -0.543 258 HG2 GLN 461 HG2 GLN 461 0.185 12.437 0.482 259 HG3 GLN 461 HG1 GLN 461 -0.839 13.222 -0.716 260 HE21 GLN 461 HE21 GLN 461 -2.855 14.011 -0.093 261 HE22 GLN 461 HE22 GLN 461 -3.254 14.285 1.566 262 H GLU 462 HN GLU 462 -2.818 8.236 0.201 263 HA GLU 462 HA GLU 462 -4.815 9.189 2.038 264 HB2 GLU 462 HB2 GLU 462 -5.899 6.904 1.397 265 HB3 GLU 462 HB1 GLU 462 -5.824 8.201 0.214 266 HG2 GLU 462 HG2 GLU 462 -3.621 6.203 0.290 267 HG3 GLU 462 HG1 GLU 462 -5.169 5.740 -0.413 268 H LEU 463 HN LEU 463 -2.083 7.271 2.326 269 HA LEU 463 HA LEU 463 -3.050 6.145 4.869 270 HB2 LEU 463 HB2 LEU 463 -0.948 5.207 2.932 271 HB3 LEU 463 HB1 LEU 463 -0.914 4.695 4.605 272 HG LEU 463 HG LEU 463 -3.265 3.791 4.252 273 HD11 LEU 463 HD11 LEU 463 -3.902 3.263 1.951 274 HD12 LEU 463 HD12 LEU 463 -2.556 4.243 1.369 275 HD13 LEU 463 HD13 LEU 463 -3.874 4.998 2.266 276 HD21 LEU 463 HD21 LEU 463 -2.465 1.751 3.175 277 HD22 LEU 463 HD22 LEU 463 -1.309 2.353 4.363 278 HD23 LEU 463 HD23 LEU 463 -1.017 2.601 2.642 279 H LYS 464 HN LYS 464 -1.972 8.830 4.065 280 HA LYS 464 HA LYS 464 0.576 9.430 4.813 281 HB2 LYS 464 HB2 LYS 464 -0.913 11.096 3.914 282 HB3 LYS 464 HB1 LYS 464 -1.960 10.983 5.320 283 HG2 LYS 464 HG2 LYS 464 -0.705 12.982 5.518 284 HG3 LYS 464 HG1 LYS 464 -0.070 11.841 6.702 285 HD2 LYS 464 HD2 LYS 464 1.756 11.284 5.132 286 HD3 LYS 464 HD1 LYS 464 1.135 12.505 4.019 287 HE2 LYS 464 HE2 LYS 464 2.952 13.457 5.287 288 HE3 LYS 464 HE1 LYS 464 1.441 14.218 5.780 289 HZ1 LYS 464 HZ1 LYS 464 1.452 12.475 7.641 290 HZ2 LYS 464 HZ2 LYS 464 2.526 13.773 7.767 291 HZ3 LYS 464 HZ3 LYS 464 3.091 12.261 7.257
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