NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
596012 | 2n4r | 25678 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 428 HT1 GLY 428 1.621 14.709 -3.590 2 H2 GLY 428 HT2 GLY 428 0.009 14.450 -4.043 3 H3 GLY 428 HT3 GLY 428 1.254 14.237 -5.176 4 HA2 GLY 428 HA1 GLY 428 0.538 12.092 -4.463 5 HA3 GLY 428 HA2 GLY 428 2.144 12.403 -3.815 6 H ALA 429 HN ALA 429 -1.094 11.661 -3.101 7 HA ALA 429 HA ALA 429 -0.979 12.530 -0.338 8 HB1 ALA 429 HB1 ALA 429 -3.076 12.707 -1.581 9 HB2 ALA 429 HB2 ALA 429 -3.247 11.658 -0.173 10 HB3 ALA 429 HB3 ALA 429 -3.103 10.955 -1.784 11 H THR 430 HN THR 430 -1.747 10.921 1.339 12 HA THR 430 HA THR 430 -0.628 8.242 0.908 13 HB THR 430 HB THR 430 0.173 8.397 3.354 14 HG1 THR 430 HG1 THR 430 -0.575 10.288 4.111 15 HG21 THR 430 HG21 THR 430 2.318 9.395 2.691 16 HG22 THR 430 HG22 THR 430 1.563 10.027 1.227 17 HG23 THR 430 HG23 THR 430 1.712 8.285 1.461 18 H ALA 431 HN ALA 431 -1.642 6.594 1.968 19 HA ALA 431 HA ALA 431 -3.329 5.430 2.910 20 HB1 ALA 431 HB1 ALA 431 -3.482 7.732 4.844 21 HB2 ALA 431 HB2 ALA 431 -2.318 6.411 4.926 22 HB3 ALA 431 HB3 ALA 431 -4.041 6.080 5.113 23 H VAL 432 HN VAL 432 -4.736 5.605 1.108 24 HA VAL 432 HA VAL 432 -7.064 7.338 1.580 25 HB VAL 432 HB VAL 432 -6.323 5.719 -0.875 26 HG11 VAL 432 HG11 VAL 432 -8.330 6.652 -1.925 27 HG12 VAL 432 HG12 VAL 432 -8.784 7.401 -0.395 28 HG13 VAL 432 HG13 VAL 432 -8.739 5.643 -0.538 29 HG21 VAL 432 HG21 VAL 432 -6.624 8.695 -0.499 30 HG22 VAL 432 HG22 VAL 432 -6.216 7.865 -2.004 31 HG23 VAL 432 HG23 VAL 432 -5.097 7.822 -0.640 32 H SER 433 HN SER 433 -8.114 6.246 3.219 33 HA SER 433 HA SER 433 -9.429 4.648 4.185 34 HB2 SER 433 HB2 SER 433 -11.177 3.750 2.799 35 HB3 SER 433 HB1 SER 433 -10.838 5.408 2.323 36 HG SER 433 HG SER 433 -9.262 4.065 0.810 37 H GLU 434 HN GLU 434 -9.887 2.423 2.133 38 HA GLU 434 HA GLU 434 -8.874 0.230 3.358 39 HB2 GLU 434 HB2 GLU 434 -9.035 -0.918 1.145 40 HB3 GLU 434 HB1 GLU 434 -10.466 0.009 1.585 41 HG2 GLU 434 HG2 GLU 434 -9.713 1.836 0.138 42 HG3 GLU 434 HG1 GLU 434 -8.295 0.891 -0.311 43 H TRP 435 HN TRP 435 -7.063 2.405 1.301 44 HA TRP 435 HA TRP 435 -4.771 0.570 1.283 45 HB2 TRP 435 HB2 TRP 435 -5.391 3.087 -0.255 46 HB3 TRP 435 HB1 TRP 435 -3.786 2.369 -0.240 47 HD1 TRP 435 HD1 TRP 435 -7.212 1.994 -1.786 48 HE1 TRP 435 HE1 TRP 435 -7.124 0.160 -3.590 49 HE3 TRP 435 HE3 TRP 435 -2.586 0.083 -0.759 50 HZ2 TRP 435 HZ2 TRP 435 -5.324 -1.839 -4.458 51 HZ3 TRP 435 HZ3 TRP 435 -1.749 -1.787 -2.123 52 HH2 TRP 435 HH2 TRP 435 -3.092 -2.730 -3.936 53 H THR 436 HN THR 436 -3.141 0.855 2.650 54 HA THR 436 HA THR 436 -2.407 3.580 3.425 55 HB THR 436 HB THR 436 -2.428 1.401 5.499 56 HG1 THR 436 HG1 THR 436 -4.564 2.843 4.520 57 HG21 THR 436 HG21 THR 436 -2.369 4.411 5.693 58 HG22 THR 436 HG22 THR 436 -1.000 3.326 5.940 59 HG23 THR 436 HG23 THR 436 -2.363 3.294 7.059 60 H GLU 437 HN GLU 437 -0.189 3.811 3.780 61 HA GLU 437 HA GLU 437 1.417 1.412 3.224 62 HB2 GLU 437 HB2 GLU 437 2.990 2.761 1.973 63 HB3 GLU 437 HB1 GLU 437 1.390 2.890 1.276 64 HG2 GLU 437 HG2 GLU 437 2.266 4.968 3.208 65 HG3 GLU 437 HG1 GLU 437 2.936 4.988 1.582 66 H TYR 438 HN TYR 438 3.286 1.125 4.317 67 HA TYR 438 HA TYR 438 3.978 3.107 6.391 68 HB2 TYR 438 HB2 TYR 438 4.236 0.099 6.638 69 HB3 TYR 438 HB1 TYR 438 4.568 1.293 7.887 70 HD1 TYR 438 HD1 TYR 438 2.675 2.515 8.956 71 HD2 TYR 438 HD2 TYR 438 2.024 -0.678 6.219 72 HE1 TYR 438 HE1 TYR 438 0.363 2.291 9.773 73 HE2 TYR 438 HE2 TYR 438 -0.286 -0.908 7.024 74 HH TYR 438 HH TYR 438 -1.842 1.399 8.904 75 H LYS 439 HN LYS 439 6.186 3.515 6.625 76 HA LYS 439 HA LYS 439 7.857 2.520 4.456 77 HB2 LYS 439 HB2 LYS 439 7.802 4.968 5.020 78 HB3 LYS 439 HB1 LYS 439 8.555 4.582 6.558 79 HG2 LYS 439 HG2 LYS 439 10.343 5.258 5.253 80 HG3 LYS 439 HG1 LYS 439 10.414 3.500 5.142 81 HD2 LYS 439 HD2 LYS 439 10.764 4.315 2.929 82 HD3 LYS 439 HD1 LYS 439 9.130 3.680 2.952 83 HE2 LYS 439 HE2 LYS 439 9.118 5.797 1.807 84 HE3 LYS 439 HE1 LYS 439 8.293 6.008 3.351 85 HZ1 LYS 439 HZ1 LYS 439 10.237 7.056 4.261 86 HZ2 LYS 439 HZ2 LYS 439 9.854 7.830 2.798 87 HZ3 LYS 439 HZ3 LYS 439 11.139 6.724 2.862 88 H THR 440 HN THR 440 9.345 1.034 4.677 89 HA THR 440 HA THR 440 9.777 -0.193 7.272 90 HB THR 440 HB THR 440 11.072 -1.886 5.916 91 HG1 THR 440 HG1 THR 440 11.511 -1.375 3.920 92 HG21 THR 440 HG21 THR 440 8.746 -2.274 6.539 93 HG22 THR 440 HG22 THR 440 9.074 -2.915 4.929 94 HG23 THR 440 HG23 THR 440 8.203 -1.393 5.110 95 H ALA 441 HN ALA 441 11.864 -0.574 8.121 96 HA ALA 441 HA ALA 441 13.473 1.583 8.444 97 HB1 ALA 441 HB1 ALA 441 14.392 -1.277 8.578 98 HB2 ALA 441 HB2 ALA 441 13.514 -0.422 9.847 99 HB3 ALA 441 HB3 ALA 441 15.133 0.105 9.385 100 H ASP 442 HN ASP 442 13.707 -0.707 5.770 101 HA ASP 442 HA ASP 442 16.326 0.132 4.964 102 HB2 ASP 442 HB2 ASP 442 15.935 -1.173 2.935 103 HB3 ASP 442 HB1 ASP 442 15.472 -2.089 4.363 104 H GLY 443 HN GLY 443 13.449 1.706 4.923 105 HA2 GLY 443 HA2 GLY 443 13.300 3.956 4.340 106 HA3 GLY 443 HA1 GLY 443 14.629 3.744 3.216 107 H LYS 444 HN LYS 444 11.656 1.788 3.319 108 HA LYS 444 HA LYS 444 10.612 3.287 1.033 109 HB2 LYS 444 HB2 LYS 444 10.815 0.350 0.921 110 HB3 LYS 444 HB1 LYS 444 10.297 1.464 -0.314 111 HG2 LYS 444 HG2 LYS 444 12.519 2.235 -0.681 112 HG3 LYS 444 HG1 LYS 444 13.106 1.369 0.740 113 HD2 LYS 444 HD2 LYS 444 12.372 -0.755 -0.425 114 HD3 LYS 444 HD1 LYS 444 12.156 0.227 -1.877 115 HE2 LYS 444 HE2 LYS 444 14.352 -0.900 -1.792 116 HE3 LYS 444 HE1 LYS 444 14.482 0.858 -1.852 117 HZ1 LYS 444 HZ1 LYS 444 15.908 -0.478 -0.174 118 HZ2 LYS 444 HZ2 LYS 444 14.486 -0.517 0.755 119 HZ3 LYS 444 HZ3 LYS 444 15.179 0.968 0.321 120 H THR 445 HN THR 445 8.424 2.975 0.584 121 HA THR 445 HA THR 445 6.885 1.991 2.852 122 HB THR 445 HB THR 445 4.981 3.025 1.389 123 HG1 THR 445 HG1 THR 445 6.632 3.356 -0.384 124 HG21 THR 445 HG21 THR 445 7.037 4.740 2.772 125 HG22 THR 445 HG22 THR 445 5.694 3.904 3.549 126 HG23 THR 445 HG23 THR 445 5.379 5.214 2.410 127 H TYR 446 HN TYR 446 5.472 0.329 2.793 128 HA TYR 446 HA TYR 446 4.988 -0.927 0.178 129 HB2 TYR 446 HB2 TYR 446 4.545 -3.031 1.296 130 HB3 TYR 446 HB1 TYR 446 6.137 -2.448 1.742 131 HD1 TYR 446 HD1 TYR 446 6.487 -1.495 4.036 132 HD2 TYR 446 HD2 TYR 446 2.868 -3.420 2.910 133 HE1 TYR 446 HE1 TYR 446 5.916 -1.795 6.408 134 HE2 TYR 446 HE2 TYR 446 2.284 -3.725 5.276 135 HH TYR 446 HH TYR 446 3.952 -2.155 7.807 136 H TYR 447 HN TYR 447 2.961 -1.182 -0.491 137 HA TYR 447 HA TYR 447 0.984 0.404 0.964 138 HB2 TYR 447 HB2 TYR 447 0.964 -0.500 -1.925 139 HB3 TYR 447 HB1 TYR 447 -0.110 0.689 -1.186 140 HD1 TYR 447 HD1 TYR 447 0.758 2.896 -0.532 141 HD2 TYR 447 HD2 TYR 447 3.213 0.084 -2.560 142 HE1 TYR 447 HE1 TYR 447 2.391 4.671 -0.993 143 HE2 TYR 447 HE2 TYR 447 4.851 1.851 -3.042 144 HH TYR 447 HH TYR 447 4.858 4.823 -1.493 145 H TYR 448 HN TYR 448 -0.527 -0.569 2.039 146 HA TYR 448 HA TYR 448 -1.089 -3.404 1.470 147 HB2 TYR 448 HB2 TYR 448 0.005 -2.693 3.648 148 HB3 TYR 448 HB1 TYR 448 -1.509 -1.915 4.066 149 HD1 TYR 448 HD2 TYR 448 -3.614 -3.469 4.139 150 HD2 TYR 448 HD1 TYR 448 0.397 -4.887 4.212 151 HE1 TYR 448 HE2 TYR 448 -4.382 -5.576 5.160 152 HE2 TYR 448 HE1 TYR 448 -0.354 -6.993 5.234 153 HH TYR 448 HH TYR 448 -3.558 -7.982 5.339 154 H ASN 449 HN ASN 449 -3.029 -3.805 0.668 155 HA ASN 449 HA ASN 449 -5.226 -1.938 1.247 156 HB2 ASN 449 HB2 ASN 449 -4.919 -2.641 -1.140 157 HB3 ASN 449 HB1 ASN 449 -5.259 -4.296 -0.645 158 HD21 ASN 449 HD21 ASN 449 -6.608 -1.183 -1.288 159 HD22 ASN 449 HD22 ASN 449 -8.276 -1.637 -1.132 160 H ASN 450 HN ASN 450 -6.731 -2.468 2.686 161 HA ASN 450 HA ASN 450 -6.149 -4.734 4.317 162 HB2 ASN 450 HB2 ASN 450 -8.251 -2.583 4.513 163 HB3 ASN 450 HB1 ASN 450 -8.112 -3.892 5.683 164 HD21 ASN 450 HD21 ASN 450 -6.660 -0.985 4.437 165 HD22 ASN 450 HD22 ASN 450 -5.520 -0.779 5.717 166 H ARG 451 HN ARG 451 -8.937 -3.971 2.152 167 HA ARG 451 HA ARG 451 -10.161 -6.438 3.128 168 HB2 ARG 451 HB2 ARG 451 -11.223 -4.580 1.003 169 HB3 ARG 451 HB1 ARG 451 -12.118 -5.794 1.903 170 HG2 ARG 451 HG2 ARG 451 -11.924 -4.519 3.925 171 HG3 ARG 451 HG1 ARG 451 -10.859 -3.352 3.135 172 HD2 ARG 451 HD2 ARG 451 -13.770 -3.870 2.570 173 HD3 ARG 451 HD1 ARG 451 -13.044 -2.403 3.227 174 HE ARG 451 HE ARG 451 -12.347 -3.310 0.511 175 HH11 ARG 451 HH11 ARG 451 -13.661 -0.868 2.663 176 HH12 ARG 451 HH12 ARG 451 -13.881 0.299 1.386 177 HH21 ARG 451 HH21 ARG 451 -12.562 -1.771 -1.118 178 HH22 ARG 451 HH22 ARG 451 -13.220 -0.208 -0.758 179 H THR 452 HN THR 452 -8.073 -5.597 0.534 180 HA THR 452 HA THR 452 -8.677 -8.153 -0.717 181 HB THR 452 HB THR 452 -6.702 -7.751 -2.130 182 HG1 THR 452 HG1 THR 452 -5.655 -5.715 -1.953 183 HG21 THR 452 HG21 THR 452 -8.875 -6.894 -2.849 184 HG22 THR 452 HG22 THR 452 -7.574 -5.817 -3.359 185 HG23 THR 452 HG23 THR 452 -8.580 -5.391 -1.975 186 H ASP 453 HN ASP 453 -6.520 -6.650 1.507 187 HA ASP 453 HA ASP 453 -5.120 -7.415 3.111 188 HB2 ASP 453 HB2 ASP 453 -6.642 -9.357 3.376 189 HB3 ASP 453 HB1 ASP 453 -5.756 -10.198 2.116 190 H GLU 454 HN GLU 454 -4.522 -6.815 0.249 191 HA GLU 454 HA GLU 454 -2.215 -8.550 -0.273 192 HB2 GLU 454 HB2 GLU 454 -2.244 -7.770 -2.495 193 HB3 GLU 454 HB1 GLU 454 -3.934 -7.974 -2.061 194 HG2 GLU 454 HG2 GLU 454 -4.057 -5.543 -1.605 195 HG3 GLU 454 HG1 GLU 454 -2.399 -5.390 -2.186 196 H SER 455 HN SER 455 -0.130 -7.743 -0.584 197 HA SER 455 HA SER 455 0.306 -4.953 0.249 198 HB2 SER 455 HB2 SER 455 2.174 -7.260 0.816 199 HB3 SER 455 HB1 SER 455 2.300 -5.608 1.420 200 HG SER 455 HG SER 455 -0.103 -6.609 2.048 201 H THR 456 HN THR 456 1.091 -3.805 -1.383 202 HA THR 456 HA THR 456 2.883 -5.133 -3.300 203 HB THR 456 HB THR 456 0.658 -4.873 -4.330 204 HG1 THR 456 HG1 THR 456 1.537 -4.274 -6.188 205 HG21 THR 456 HG21 THR 456 -0.221 -2.633 -4.818 206 HG22 THR 456 HG22 THR 456 1.080 -1.919 -3.866 207 HG23 THR 456 HG23 THR 456 -0.132 -2.932 -3.082 208 H TRP 457 HN TRP 457 4.468 -3.766 -4.262 209 HA TRP 457 HA TRP 457 5.175 -1.543 -2.504 210 HB2 TRP 457 HB2 TRP 457 6.827 -2.980 -4.595 211 HB3 TRP 457 HB1 TRP 457 7.422 -1.726 -3.510 212 HD1 TRP 457 HD1 TRP 457 6.431 -5.408 -3.576 213 HE1 TRP 457 HE1 TRP 457 7.201 -6.528 -1.385 214 HE3 TRP 457 HE3 TRP 457 7.897 -1.235 -1.011 215 HZ2 TRP 457 HZ2 TRP 457 8.288 -5.730 1.101 216 HZ3 TRP 457 HZ3 TRP 457 8.788 -1.499 1.263 217 HH2 TRP 457 HH2 TRP 457 8.980 -3.698 2.298 218 H GLU 458 HN GLU 458 3.360 -1.807 -5.114 219 HA GLU 458 HA GLU 458 4.376 0.613 -6.430 220 HB2 GLU 458 HB2 GLU 458 3.902 -1.287 -7.910 221 HB3 GLU 458 HB1 GLU 458 2.253 -1.360 -7.306 222 HG2 GLU 458 HG2 GLU 458 2.461 -0.291 -9.522 223 HG3 GLU 458 HG1 GLU 458 1.719 0.741 -8.302 224 H LYS 459 HN LYS 459 3.172 2.448 -6.531 225 HA LYS 459 HA LYS 459 1.382 2.947 -4.367 226 HB2 LYS 459 HB2 LYS 459 3.015 4.587 -5.351 227 HB3 LYS 459 HB1 LYS 459 1.995 4.677 -6.776 228 HG2 LYS 459 HG2 LYS 459 1.387 6.554 -5.584 229 HG3 LYS 459 HG1 LYS 459 0.142 5.393 -5.125 230 HD2 LYS 459 HD2 LYS 459 1.214 4.966 -3.030 231 HD3 LYS 459 HD1 LYS 459 2.637 5.898 -3.509 232 HE2 LYS 459 HE2 LYS 459 1.234 7.920 -3.621 233 HE3 LYS 459 HE1 LYS 459 -0.146 6.973 -3.074 234 HZ1 LYS 459 HZ1 LYS 459 2.354 7.456 -1.534 235 HZ2 LYS 459 HZ2 LYS 459 1.038 6.525 -0.997 236 HZ3 LYS 459 HZ3 LYS 459 0.852 8.190 -1.257 237 HA PRO 460 HA PRO 460 -2.399 1.492 -6.402 238 HB2 PRO 460 HB2 PRO 460 -3.957 3.003 -4.601 239 HB3 PRO 460 HB1 PRO 460 -3.549 1.297 -4.459 240 HG2 PRO 460 HG2 PRO 460 -2.323 3.655 -3.144 241 HG3 PRO 460 HG1 PRO 460 -2.479 1.991 -2.558 242 HD2 PRO 460 HD2 PRO 460 -0.133 2.987 -3.409 243 HD3 PRO 460 HD1 PRO 460 -0.582 1.288 -3.674 244 H GLN 461 HN GLN 461 -3.844 2.419 -7.854 245 HA GLN 461 HA GLN 461 -3.106 5.026 -8.766 246 HB2 GLN 461 HB2 GLN 461 -5.004 4.602 -10.446 247 HB3 GLN 461 HB1 GLN 461 -3.555 3.619 -10.534 248 HG2 GLN 461 HG2 GLN 461 -5.147 2.018 -10.780 249 HG3 GLN 461 HG1 GLN 461 -4.961 1.992 -9.028 250 HE21 GLN 461 HE21 GLN 461 -6.659 2.569 -7.748 251 HE22 GLN 461 HE22 GLN 461 -8.232 2.954 -8.375 252 H GLU 462 HN GLU 462 -5.373 3.937 -6.522 253 HA GLU 462 HA GLU 462 -7.038 6.308 -6.710 254 HB2 GLU 462 HB2 GLU 462 -7.899 5.446 -4.444 255 HB3 GLU 462 HB1 GLU 462 -8.250 4.484 -5.875 256 HG2 GLU 462 HG2 GLU 462 -5.843 3.860 -4.233 257 HG3 GLU 462 HG1 GLU 462 -7.439 3.351 -3.681 258 H LEU 463 HN LEU 463 -4.022 5.587 -5.546 259 HA LEU 463 HA LEU 463 -4.128 7.730 -3.530 260 HB2 LEU 463 HB2 LEU 463 -3.840 5.465 -2.590 261 HB3 LEU 463 HB1 LEU 463 -2.407 5.249 -3.570 262 HG LEU 463 HG LEU 463 -1.218 6.926 -2.305 263 HD11 LEU 463 HD11 LEU 463 -2.245 7.997 -0.350 264 HD12 LEU 463 HD12 LEU 463 -3.799 7.284 -0.789 265 HD13 LEU 463 HD13 LEU 463 -3.037 8.466 -1.853 266 HD21 LEU 463 HD21 LEU 463 -2.694 4.997 -0.517 267 HD22 LEU 463 HD22 LEU 463 -1.175 5.808 -0.134 268 HD23 LEU 463 HD23 LEU 463 -1.242 4.642 -1.454 269 H LYS 464 HN LYS 464 -3.155 7.050 -6.536 270 HA LYS 464 HA LYS 464 -0.592 8.470 -6.339 271 HB2 LYS 464 HB2 LYS 464 -0.461 6.228 -7.359 272 HB3 LYS 464 HB1 LYS 464 -1.654 6.705 -8.559 273 HG2 LYS 464 HG2 LYS 464 -0.103 8.379 -9.435 274 HG3 LYS 464 HG1 LYS 464 1.097 7.893 -8.235 275 HD2 LYS 464 HD2 LYS 464 -0.079 6.089 -10.353 276 HD3 LYS 464 HD1 LYS 464 1.497 6.876 -10.452 277 HE2 LYS 464 HE2 LYS 464 2.243 5.676 -8.473 278 HE3 LYS 464 HE1 LYS 464 0.658 4.926 -8.308 279 HZ1 LYS 464 HZ1 LYS 464 2.277 3.448 -9.356 280 HZ2 LYS 464 HZ2 LYS 464 2.494 4.564 -10.615 281 HZ3 LYS 464 HZ3 LYS 464 0.990 3.801 -10.407 Start of MODEL 2 1 H1 GLY 428 HT1 GLY 428 -12.148 0.648 9.612 2 H2 GLY 428 HT2 GLY 428 -12.677 -0.791 10.333 3 H3 GLY 428 HT3 GLY 428 -13.807 0.316 9.717 4 HA2 GLY 428 HA1 GLY 428 -11.823 -1.201 8.116 5 HA3 GLY 428 HA2 GLY 428 -13.535 -1.585 8.241 6 H ALA 429 HN ALA 429 -11.393 -0.330 6.206 7 HA ALA 429 HA ALA 429 -13.140 1.778 5.177 8 HB1 ALA 429 HB1 ALA 429 -10.448 0.838 4.191 9 HB2 ALA 429 HB2 ALA 429 -10.732 2.225 5.244 10 HB3 ALA 429 HB3 ALA 429 -11.343 2.233 3.588 11 H THR 430 HN THR 430 -14.747 1.186 3.897 12 HA THR 430 HA THR 430 -14.764 -1.418 2.671 13 HB THR 430 HB THR 430 -16.893 0.703 2.414 14 HG1 THR 430 HG1 THR 430 -17.338 0.413 4.456 15 HG21 THR 430 HG21 THR 430 -17.153 -1.268 0.967 16 HG22 THR 430 HG22 THR 430 -18.395 -1.221 2.218 17 HG23 THR 430 HG23 THR 430 -17.024 -2.318 2.380 18 H ALA 431 HN ALA 431 -13.987 1.726 1.742 19 HA ALA 431 HA ALA 431 -13.214 1.045 -0.875 20 HB1 ALA 431 HB1 ALA 431 -15.757 2.664 -0.715 21 HB2 ALA 431 HB2 ALA 431 -15.627 1.008 -1.306 22 HB3 ALA 431 HB3 ALA 431 -14.836 2.321 -2.179 23 H VAL 432 HN VAL 432 -11.558 2.321 -1.220 24 HA VAL 432 HA VAL 432 -10.261 4.181 -1.455 25 HB VAL 432 HB VAL 432 -12.710 5.738 -0.602 26 HG11 VAL 432 HG11 VAL 432 -10.145 6.706 -1.854 27 HG12 VAL 432 HG12 VAL 432 -10.677 7.015 -0.201 28 HG13 VAL 432 HG13 VAL 432 -11.581 7.687 -1.558 29 HG21 VAL 432 HG21 VAL 432 -12.947 6.248 -2.984 30 HG22 VAL 432 HG22 VAL 432 -13.056 4.513 -2.679 31 HG23 VAL 432 HG23 VAL 432 -11.574 5.200 -3.343 32 H SER 433 HN SER 433 -8.724 5.020 -0.205 33 HA SER 433 HA SER 433 -7.542 5.637 1.624 34 HB2 SER 433 HB2 SER 433 -10.174 5.739 3.125 35 HB3 SER 433 HB1 SER 433 -8.641 6.441 3.652 36 HG SER 433 HG SER 433 -9.323 7.275 1.164 37 H GLU 434 HN GLU 434 -8.646 2.960 0.912 38 HA GLU 434 HA GLU 434 -8.453 1.487 3.411 39 HB2 GLU 434 HB2 GLU 434 -8.901 -0.488 1.890 40 HB3 GLU 434 HB1 GLU 434 -10.188 0.705 2.004 41 HG2 GLU 434 HG2 GLU 434 -9.442 1.685 -0.115 42 HG3 GLU 434 HG1 GLU 434 -8.186 0.452 -0.231 43 H TRP 435 HN TRP 435 -6.465 2.568 0.940 44 HA TRP 435 HA TRP 435 -4.450 0.497 1.348 45 HB2 TRP 435 HB2 TRP 435 -4.504 2.912 -0.480 46 HB3 TRP 435 HB1 TRP 435 -3.170 1.766 -0.383 47 HD1 TRP 435 HD1 TRP 435 -6.897 1.872 -1.404 48 HE1 TRP 435 HE1 TRP 435 -7.301 0.037 -3.163 49 HE3 TRP 435 HE3 TRP 435 -2.280 -0.314 -1.332 50 HZ2 TRP 435 HZ2 TRP 435 -5.832 -2.070 -4.360 51 HZ3 TRP 435 HZ3 TRP 435 -1.859 -2.235 -2.813 52 HH2 TRP 435 HH2 TRP 435 -3.596 -3.092 -4.293 53 H THR 436 HN THR 436 -3.020 0.713 2.921 54 HA THR 436 HA THR 436 -2.506 3.422 3.966 55 HB THR 436 HB THR 436 -2.138 0.906 5.565 56 HG1 THR 436 HG1 THR 436 -4.429 1.610 4.564 57 HG21 THR 436 HG21 THR 436 -2.767 3.760 6.336 58 HG22 THR 436 HG22 THR 436 -1.183 2.989 6.448 59 HG23 THR 436 HG23 THR 436 -2.513 2.421 7.456 60 H GLU 437 HN GLU 437 -0.392 3.982 4.462 61 HA GLU 437 HA GLU 437 1.640 2.374 3.102 62 HB2 GLU 437 HB2 GLU 437 1.678 5.224 4.103 63 HB3 GLU 437 HB1 GLU 437 3.074 4.415 3.405 64 HG2 GLU 437 HG2 GLU 437 1.819 4.099 1.325 65 HG3 GLU 437 HG1 GLU 437 0.477 5.012 2.022 66 H TYR 438 HN TYR 438 3.153 1.308 4.142 67 HA TYR 438 HA TYR 438 3.804 2.077 6.910 68 HB2 TYR 438 HB2 TYR 438 3.522 -0.733 5.833 69 HB3 TYR 438 HB1 TYR 438 4.234 -0.343 7.391 70 HD1 TYR 438 HD1 TYR 438 2.804 0.760 9.134 71 HD2 TYR 438 HD2 TYR 438 1.171 -0.914 5.582 72 HE1 TYR 438 HE1 TYR 438 0.588 0.707 10.187 73 HE2 TYR 438 HE2 TYR 438 -1.055 -0.971 6.626 74 HH TYR 438 HH TYR 438 -1.978 -1.050 9.020 75 H LYS 439 HN LYS 439 5.945 2.280 7.301 76 HA LYS 439 HA LYS 439 7.662 2.083 4.955 77 HB2 LYS 439 HB2 LYS 439 7.481 4.210 6.309 78 HB3 LYS 439 HB1 LYS 439 8.308 3.365 7.612 79 HG2 LYS 439 HG2 LYS 439 10.028 4.512 6.592 80 HG3 LYS 439 HG1 LYS 439 10.144 2.925 5.838 81 HD2 LYS 439 HD2 LYS 439 10.376 4.471 4.057 82 HD3 LYS 439 HD1 LYS 439 8.740 3.857 3.922 83 HE2 LYS 439 HE2 LYS 439 8.804 6.284 3.628 84 HE3 LYS 439 HE1 LYS 439 7.858 5.842 5.046 85 HZ1 LYS 439 HZ1 LYS 439 9.631 6.496 6.469 86 HZ2 LYS 439 HZ2 LYS 439 9.377 7.761 5.367 87 HZ3 LYS 439 HZ3 LYS 439 10.695 6.712 5.162 88 H THR 440 HN THR 440 9.200 0.662 4.721 89 HA THR 440 HA THR 440 9.706 -1.325 6.775 90 HB THR 440 HB THR 440 11.170 -2.307 4.895 91 HG1 THR 440 HG1 THR 440 11.353 -1.074 3.185 92 HG21 THR 440 HG21 THR 440 8.997 -3.236 5.472 93 HG22 THR 440 HG22 THR 440 9.214 -3.238 3.723 94 HG23 THR 440 HG23 THR 440 8.194 -2.017 4.483 95 H ALA 441 HN ALA 441 11.843 -1.856 7.472 96 HA ALA 441 HA ALA 441 13.278 0.222 8.517 97 HB1 ALA 441 HB1 ALA 441 15.040 -1.355 9.010 98 HB2 ALA 441 HB2 ALA 441 14.409 -2.474 7.802 99 HB3 ALA 441 HB3 ALA 441 13.462 -2.108 9.244 100 H ASP 442 HN ASP 442 13.629 -1.010 5.243 101 HA ASP 442 HA ASP 442 16.203 0.190 4.807 102 HB2 ASP 442 HB2 ASP 442 16.046 -0.525 2.579 103 HB3 ASP 442 HB1 ASP 442 15.161 -1.754 3.475 104 H GLY 443 HN GLY 443 13.166 1.434 5.199 105 HA2 GLY 443 HA2 GLY 443 12.753 3.717 5.398 106 HA3 GLY 443 HA1 GLY 443 14.124 4.042 4.357 107 H LYS 444 HN LYS 444 11.360 1.891 3.617 108 HA LYS 444 HA LYS 444 10.236 4.027 1.923 109 HB2 LYS 444 HB2 LYS 444 10.240 1.253 0.962 110 HB3 LYS 444 HB1 LYS 444 9.922 2.737 0.116 111 HG2 LYS 444 HG2 LYS 444 12.632 1.899 1.091 112 HG3 LYS 444 HG1 LYS 444 12.037 1.569 -0.532 113 HD2 LYS 444 HD2 LYS 444 11.867 3.949 -0.975 114 HD3 LYS 444 HD1 LYS 444 12.384 4.310 0.677 115 HE2 LYS 444 HE2 LYS 444 13.990 2.923 -1.465 116 HE3 LYS 444 HE1 LYS 444 14.270 4.534 -0.810 117 HZ1 LYS 444 HZ1 LYS 444 14.878 3.619 1.282 118 HZ2 LYS 444 HZ2 LYS 444 15.744 2.764 0.102 119 HZ3 LYS 444 HZ3 LYS 444 14.387 2.058 0.831 120 H THR 445 HN THR 445 7.993 3.877 1.518 121 HA THR 445 HA THR 445 6.566 2.108 3.342 122 HB THR 445 HB THR 445 4.531 3.394 2.589 123 HG1 THR 445 HG1 THR 445 4.780 5.195 1.363 124 HG21 THR 445 HG21 THR 445 5.634 3.885 4.702 125 HG22 THR 445 HG22 THR 445 5.048 5.369 3.947 126 HG23 THR 445 HG23 THR 445 6.762 4.963 3.879 127 H TYR 446 HN TYR 446 5.379 0.437 2.761 128 HA TYR 446 HA TYR 446 4.982 -0.057 -0.108 129 HB2 TYR 446 HB2 TYR 446 4.548 -2.389 0.471 130 HB3 TYR 446 HB1 TYR 446 6.105 -1.891 1.100 131 HD1 TYR 446 HD1 TYR 446 6.474 -1.698 3.492 132 HD2 TYR 446 HD2 TYR 446 2.714 -2.949 1.960 133 HE1 TYR 446 HE1 TYR 446 5.858 -2.544 5.717 134 HE2 TYR 446 HE2 TYR 446 2.081 -3.791 4.179 135 HH TYR 446 HH TYR 446 3.252 -4.601 6.229 136 H TYR 447 HN TYR 447 2.895 -0.635 -0.852 137 HA TYR 447 HA TYR 447 0.863 0.782 0.691 138 HB2 TYR 447 HB2 TYR 447 0.789 -0.112 -2.199 139 HB3 TYR 447 HB1 TYR 447 -0.347 0.980 -1.405 140 HD1 TYR 447 HD2 TYR 447 1.085 2.920 -0.035 141 HD2 TYR 447 HD1 TYR 447 2.224 0.983 -3.644 142 HE1 TYR 447 HE2 TYR 447 2.529 4.827 -0.586 143 HE2 TYR 447 HE1 TYR 447 3.679 2.882 -4.212 144 HH TYR 447 HH TYR 447 4.539 5.279 -1.990 145 H TYR 448 HN TYR 448 -0.368 -0.357 1.933 146 HA TYR 448 HA TYR 448 -0.931 -3.155 1.245 147 HB2 TYR 448 HB2 TYR 448 0.210 -3.045 3.324 148 HB3 TYR 448 HB1 TYR 448 -0.754 -1.683 3.871 149 HD1 TYR 448 HD1 TYR 448 -0.992 -5.304 3.039 150 HD2 TYR 448 HD2 TYR 448 -2.637 -2.027 5.195 151 HE1 TYR 448 HE1 TYR 448 -2.510 -6.841 4.212 152 HE2 TYR 448 HE2 TYR 448 -4.163 -3.554 6.368 153 HH TYR 448 HH TYR 448 -3.913 -7.046 6.003 154 H ASN 449 HN ASN 449 -2.901 -3.587 0.537 155 HA ASN 449 HA ASN 449 -5.133 -1.806 1.181 156 HB2 ASN 449 HB2 ASN 449 -4.945 -2.636 -1.144 157 HB3 ASN 449 HB1 ASN 449 -5.084 -4.286 -0.555 158 HD21 ASN 449 HD21 ASN 449 -6.788 -1.319 -1.167 159 HD22 ASN 449 HD22 ASN 449 -8.387 -1.950 -0.919 160 H ASN 450 HN ASN 450 -6.811 -2.389 2.482 161 HA ASN 450 HA ASN 450 -6.133 -4.380 4.420 162 HB2 ASN 450 HB2 ASN 450 -8.276 -2.306 4.201 163 HB3 ASN 450 HB1 ASN 450 -8.444 -3.601 5.382 164 HD21 ASN 450 HD21 ASN 450 -6.596 -0.799 4.442 165 HD22 ASN 450 HD22 ASN 450 -5.754 -0.613 5.941 166 H ARG 451 HN ARG 451 -8.800 -4.142 1.985 167 HA ARG 451 HA ARG 451 -9.889 -6.595 3.161 168 HB2 ARG 451 HB2 ARG 451 -10.884 -5.055 0.764 169 HB3 ARG 451 HB1 ARG 451 -11.755 -6.290 1.656 170 HG2 ARG 451 HG2 ARG 451 -12.018 -4.876 3.536 171 HG3 ARG 451 HG1 ARG 451 -10.884 -3.690 2.880 172 HD2 ARG 451 HD2 ARG 451 -13.523 -4.452 1.629 173 HD3 ARG 451 HD1 ARG 451 -13.240 -3.008 2.603 174 HE ARG 451 HE ARG 451 -11.661 -2.282 0.860 175 HH11 ARG 451 HH11 ARG 451 -13.977 -4.786 -0.002 176 HH12 ARG 451 HH12 ARG 451 -13.923 -4.398 -1.696 177 HH21 ARG 451 HH21 ARG 451 -11.614 -1.787 -1.348 178 HH22 ARG 451 HH22 ARG 451 -12.599 -2.705 -2.458 179 H THR 452 HN THR 452 -7.691 -5.827 0.642 180 HA THR 452 HA THR 452 -7.944 -8.538 -0.368 181 HB THR 452 HB THR 452 -5.871 -8.037 -1.653 182 HG1 THR 452 HG1 THR 452 -5.336 -5.732 -1.723 183 HG21 THR 452 HG21 THR 452 -6.941 -6.462 -3.211 184 HG22 THR 452 HG22 THR 452 -8.144 -6.073 -1.980 185 HG23 THR 452 HG23 THR 452 -8.068 -7.699 -2.657 186 H ASP 453 HN ASP 453 -6.077 -6.637 1.833 187 HA ASP 453 HA ASP 453 -4.439 -7.034 3.330 188 HB2 ASP 453 HB2 ASP 453 -5.836 -8.949 4.059 189 HB3 ASP 453 HB1 ASP 453 -5.023 -9.971 2.889 190 H GLU 454 HN GLU 454 -3.888 -6.527 0.669 191 HA GLU 454 HA GLU 454 -1.703 -8.372 -0.036 192 HB2 GLU 454 HB2 GLU 454 -1.838 -7.577 -2.259 193 HB3 GLU 454 HB1 GLU 454 -3.502 -7.767 -1.726 194 HG2 GLU 454 HG2 GLU 454 -3.574 -5.336 -1.256 195 HG3 GLU 454 HG1 GLU 454 -1.957 -5.196 -1.941 196 H SER 455 HN SER 455 0.379 -7.661 -0.405 197 HA SER 455 HA SER 455 0.968 -4.893 0.417 198 HB2 SER 455 HB2 SER 455 1.825 -6.431 2.088 199 HB3 SER 455 HB1 SER 455 2.612 -7.405 0.846 200 HG SER 455 HG SER 455 4.260 -6.163 1.197 201 H THR 456 HN THR 456 1.442 -3.752 -1.335 202 HA THR 456 HA THR 456 3.316 -4.895 -3.272 203 HB THR 456 HB THR 456 1.007 -5.183 -4.173 204 HG1 THR 456 HG1 THR 456 1.953 -4.929 -6.028 205 HG21 THR 456 HG21 THR 456 -0.243 -3.210 -4.920 206 HG22 THR 456 HG22 THR 456 0.950 -2.163 -4.151 207 HG23 THR 456 HG23 THR 456 -0.054 -3.228 -3.166 208 H TRP 457 HN TRP 457 4.566 -3.348 -4.380 209 HA TRP 457 HA TRP 457 4.733 -0.789 -2.957 210 HB2 TRP 457 HB2 TRP 457 6.698 -2.079 -4.868 211 HB3 TRP 457 HB1 TRP 457 6.980 -0.625 -3.918 212 HD1 TRP 457 HD1 TRP 457 6.673 -4.434 -3.529 213 HE1 TRP 457 HE1 TRP 457 7.723 -5.117 -1.276 214 HE3 TRP 457 HE3 TRP 457 7.569 0.221 -1.613 215 HZ2 TRP 457 HZ2 TRP 457 8.792 -3.844 0.995 216 HZ3 TRP 457 HZ3 TRP 457 8.606 0.394 0.606 217 HH2 TRP 457 HH2 TRP 457 9.209 -1.597 1.884 218 H GLU 458 HN GLU 458 2.983 -1.776 -5.363 219 HA GLU 458 HA GLU 458 3.695 0.310 -7.304 220 HB2 GLU 458 HB2 GLU 458 3.187 -2.270 -7.773 221 HB3 GLU 458 HB1 GLU 458 1.525 -1.703 -7.768 222 HG2 GLU 458 HG2 GLU 458 3.748 -0.846 -9.599 223 HG3 GLU 458 HG1 GLU 458 2.324 -1.793 -10.011 224 H LYS 459 HN LYS 459 2.536 2.145 -7.281 225 HA LYS 459 HA LYS 459 0.712 2.722 -5.253 226 HB2 LYS 459 HB2 LYS 459 1.773 4.120 -7.614 227 HB3 LYS 459 HB1 LYS 459 0.224 4.710 -7.029 228 HG2 LYS 459 HG2 LYS 459 1.140 5.174 -4.874 229 HG3 LYS 459 HG1 LYS 459 2.659 4.381 -5.297 230 HD2 LYS 459 HD2 LYS 459 3.196 6.082 -6.876 231 HD3 LYS 459 HD1 LYS 459 1.583 6.787 -6.755 232 HE2 LYS 459 HE2 LYS 459 3.422 6.601 -4.387 233 HE3 LYS 459 HE1 LYS 459 3.478 7.964 -5.505 234 HZ1 LYS 459 HZ1 LYS 459 2.082 8.380 -3.551 235 HZ2 LYS 459 HZ2 LYS 459 1.071 7.097 -3.998 236 HZ3 LYS 459 HZ3 LYS 459 1.190 8.459 -4.994 237 HA PRO 460 HA PRO 460 -3.211 1.191 -6.892 238 HB2 PRO 460 HB2 PRO 460 -4.611 2.473 -4.881 239 HB3 PRO 460 HB1 PRO 460 -3.945 0.839 -4.755 240 HG2 PRO 460 HG2 PRO 460 -2.828 3.426 -3.759 241 HG3 PRO 460 HG1 PRO 460 -2.841 1.833 -2.980 242 HD2 PRO 460 HD2 PRO 460 -0.636 2.784 -4.158 243 HD3 PRO 460 HD1 PRO 460 -1.058 1.060 -4.250 244 H GLN 461 HN GLN 461 -4.918 2.216 -7.945 245 HA GLN 461 HA GLN 461 -4.301 4.672 -9.151 246 HB2 GLN 461 HB2 GLN 461 -6.922 3.182 -9.052 247 HB3 GLN 461 HB1 GLN 461 -6.595 4.551 -10.107 248 HG2 GLN 461 HG2 GLN 461 -4.672 3.218 -11.037 249 HG3 GLN 461 HG1 GLN 461 -5.317 1.834 -10.154 250 HE21 GLN 461 HE21 GLN 461 -5.791 4.033 -12.788 251 HE22 GLN 461 HE22 GLN 461 -7.060 3.155 -13.569 252 H GLU 462 HN GLU 462 -5.702 4.131 -6.109 253 HA GLU 462 HA GLU 462 -7.040 6.733 -6.105 254 HB2 GLU 462 HB2 GLU 462 -7.959 6.111 -3.950 255 HB3 GLU 462 HB1 GLU 462 -8.222 4.809 -5.099 256 HG2 GLU 462 HG2 GLU 462 -6.473 3.507 -4.141 257 HG3 GLU 462 HG1 GLU 462 -5.980 4.845 -3.104 258 H LEU 463 HN LEU 463 -4.103 5.273 -5.158 259 HA LEU 463 HA LEU 463 -3.455 7.545 -3.389 260 HB2 LEU 463 HB2 LEU 463 -3.710 5.338 -2.240 261 HB3 LEU 463 HB1 LEU 463 -2.400 4.718 -3.224 262 HG LEU 463 HG LEU 463 -0.860 6.360 -2.193 263 HD11 LEU 463 HD11 LEU 463 -2.492 8.088 -1.639 264 HD12 LEU 463 HD12 LEU 463 -1.578 7.598 -0.213 265 HD13 LEU 463 HD13 LEU 463 -3.230 7.021 -0.442 266 HD21 LEU 463 HD21 LEU 463 -2.364 4.634 -0.224 267 HD22 LEU 463 HD22 LEU 463 -0.742 5.291 0.002 268 HD23 LEU 463 HD23 LEU 463 -1.046 4.108 -1.271 269 H LYS 464 HN LYS 464 -3.065 7.068 -6.340 270 HA LYS 464 HA LYS 464 -0.229 6.632 -6.640 271 HB2 LYS 464 HB2 LYS 464 -0.729 7.132 -9.078 272 HB3 LYS 464 HB1 LYS 464 -1.515 5.722 -8.383 273 HG2 LYS 464 HG2 LYS 464 -3.606 6.760 -8.348 274 HG3 LYS 464 HG1 LYS 464 -2.912 8.373 -8.517 275 HD2 LYS 464 HD2 LYS 464 -2.467 6.373 -10.683 276 HD3 LYS 464 HD1 LYS 464 -4.039 7.162 -10.560 277 HE2 LYS 464 HE2 LYS 464 -2.443 8.304 -12.102 278 HE3 LYS 464 HE1 LYS 464 -3.052 9.328 -10.804 279 HZ1 LYS 464 HZ1 LYS 464 -0.629 9.539 -11.225 280 HZ2 LYS 464 HZ2 LYS 464 -0.428 7.934 -10.714 281 HZ3 LYS 464 HZ3 LYS 464 -1.010 9.104 -9.629 Start of MODEL 3 1 H1 GLY 428 HT1 GLY 428 -21.704 0.271 5.550 2 H2 GLY 428 HT2 GLY 428 -21.017 -0.255 4.095 3 H3 GLY 428 HT3 GLY 428 -22.023 1.110 4.116 4 HA2 GLY 428 HA1 GLY 428 -20.443 2.349 5.393 5 HA3 GLY 428 HA2 GLY 428 -19.425 0.924 5.537 6 H ALA 429 HN ALA 429 -17.809 2.428 4.644 7 HA ALA 429 HA ALA 429 -18.051 3.060 1.814 8 HB1 ALA 429 HB1 ALA 429 -16.994 4.671 3.328 9 HB2 ALA 429 HB2 ALA 429 -15.869 4.126 2.084 10 HB3 ALA 429 HB3 ALA 429 -15.748 3.485 3.722 11 H THR 430 HN THR 430 -17.032 2.006 0.177 12 HA THR 430 HA THR 430 -15.319 -0.274 0.896 13 HB THR 430 HB THR 430 -17.599 -1.134 0.545 14 HG1 THR 430 HG1 THR 430 -15.993 -1.823 -1.711 15 HG21 THR 430 HG21 THR 430 -18.435 0.605 -0.958 16 HG22 THR 430 HG22 THR 430 -18.671 -1.001 -1.648 17 HG23 THR 430 HG23 THR 430 -17.361 0.025 -2.231 18 H ALA 431 HN ALA 431 -14.815 2.433 -0.234 19 HA ALA 431 HA ALA 431 -13.152 1.629 -2.422 20 HB1 ALA 431 HB1 ALA 431 -15.377 3.592 -2.964 21 HB2 ALA 431 HB2 ALA 431 -15.288 1.942 -3.579 22 HB3 ALA 431 HB3 ALA 431 -14.091 3.135 -4.081 23 H VAL 432 HN VAL 432 -11.344 2.577 -1.981 24 HA VAL 432 HA VAL 432 -9.811 4.275 -1.935 25 HB VAL 432 HB VAL 432 -12.153 6.145 -1.518 26 HG11 VAL 432 HG11 VAL 432 -9.245 6.790 -2.000 27 HG12 VAL 432 HG12 VAL 432 -10.145 7.079 -0.512 28 HG13 VAL 432 HG13 VAL 432 -10.567 7.956 -1.982 29 HG21 VAL 432 HG21 VAL 432 -12.126 5.123 -3.730 30 HG22 VAL 432 HG22 VAL 432 -10.444 5.606 -3.948 31 HG23 VAL 432 HG23 VAL 432 -11.705 6.833 -3.833 32 H SER 433 HN SER 433 -8.501 4.922 -0.370 33 HA SER 433 HA SER 433 -7.649 5.345 1.675 34 HB2 SER 433 HB2 SER 433 -9.530 6.870 2.133 35 HB3 SER 433 HB1 SER 433 -10.506 5.502 2.665 36 HG SER 433 HG SER 433 -8.607 5.179 4.190 37 H GLU 434 HN GLU 434 -8.783 2.793 0.596 38 HA GLU 434 HA GLU 434 -8.846 1.115 2.976 39 HB2 GLU 434 HB2 GLU 434 -9.148 -0.729 1.266 40 HB3 GLU 434 HB1 GLU 434 -10.436 0.465 1.345 41 HG2 GLU 434 HG2 GLU 434 -9.446 1.600 -0.608 42 HG3 GLU 434 HG1 GLU 434 -8.237 0.319 -0.701 43 H TRP 435 HN TRP 435 -6.653 2.373 0.787 44 HA TRP 435 HA TRP 435 -4.654 0.281 1.220 45 HB2 TRP 435 HB2 TRP 435 -4.732 2.690 -0.604 46 HB3 TRP 435 HB1 TRP 435 -3.325 1.648 -0.429 47 HD1 TRP 435 HD1 TRP 435 -6.896 1.637 -1.867 48 HE1 TRP 435 HE1 TRP 435 -7.058 -0.288 -3.581 49 HE3 TRP 435 HE3 TRP 435 -2.363 -0.580 -1.034 50 HZ2 TRP 435 HZ2 TRP 435 -5.475 -2.457 -4.447 51 HZ3 TRP 435 HZ3 TRP 435 -1.772 -2.579 -2.336 52 HH2 TRP 435 HH2 TRP 435 -3.294 -3.496 -4.009 53 H THR 436 HN THR 436 -2.844 0.647 2.426 54 HA THR 436 HA THR 436 -2.474 3.352 3.527 55 HB THR 436 HB THR 436 -1.842 0.881 5.116 56 HG1 THR 436 HG1 THR 436 -4.321 1.961 4.522 57 HG21 THR 436 HG21 THR 436 -2.509 3.720 5.900 58 HG22 THR 436 HG22 THR 436 -0.897 3.005 5.882 59 HG23 THR 436 HG23 THR 436 -2.113 2.412 7.014 60 H GLU 437 HN GLU 437 -0.333 4.003 3.807 61 HA GLU 437 HA GLU 437 1.627 2.356 2.353 62 HB2 GLU 437 HB2 GLU 437 1.113 4.673 1.537 63 HB3 GLU 437 HB1 GLU 437 1.797 5.288 3.026 64 HG2 GLU 437 HG2 GLU 437 3.934 4.185 2.400 65 HG3 GLU 437 HG1 GLU 437 3.211 3.797 0.844 66 H TYR 438 HN TYR 438 3.047 1.339 3.527 67 HA TYR 438 HA TYR 438 3.696 2.404 6.200 68 HB2 TYR 438 HB2 TYR 438 3.662 -0.465 5.240 69 HB3 TYR 438 HB1 TYR 438 4.280 0.048 6.804 70 HD1 TYR 438 HD1 TYR 438 2.546 1.517 8.209 71 HD2 TYR 438 HD2 TYR 438 1.500 -1.245 5.147 72 HE1 TYR 438 HE1 TYR 438 0.297 1.302 9.179 73 HE2 TYR 438 HE2 TYR 438 -0.748 -1.463 6.109 74 HH TYR 438 HH TYR 438 -1.800 -1.161 8.417 75 H LYS 439 HN LYS 439 5.810 2.640 6.769 76 HA LYS 439 HA LYS 439 7.779 2.154 4.645 77 HB2 LYS 439 HB2 LYS 439 7.619 4.455 5.583 78 HB3 LYS 439 HB1 LYS 439 8.058 3.813 7.161 79 HG2 LYS 439 HG2 LYS 439 10.013 4.754 6.192 80 HG3 LYS 439 HG1 LYS 439 10.192 2.999 6.161 81 HD2 LYS 439 HD2 LYS 439 10.860 3.510 3.999 82 HD3 LYS 439 HD1 LYS 439 9.150 3.219 3.759 83 HE2 LYS 439 HE2 LYS 439 9.758 5.244 2.608 84 HE3 LYS 439 HE1 LYS 439 8.714 5.655 3.967 85 HZ1 LYS 439 HZ1 LYS 439 11.679 5.920 3.913 86 HZ2 LYS 439 HZ2 LYS 439 10.677 6.314 5.228 87 HZ3 LYS 439 HZ3 LYS 439 10.563 7.189 3.779 88 H THR 440 HN THR 440 9.317 0.664 4.864 89 HA THR 440 HA THR 440 9.443 -0.896 7.314 90 HB THR 440 HB THR 440 11.099 -2.280 5.980 91 HG1 THR 440 HG1 THR 440 11.799 -1.385 4.198 92 HG21 THR 440 HG21 THR 440 8.744 -2.918 6.163 93 HG22 THR 440 HG22 THR 440 9.377 -3.303 4.561 94 HG23 THR 440 HG23 THR 440 8.350 -1.887 4.788 95 H ALA 441 HN ALA 441 11.384 -1.253 8.454 96 HA ALA 441 HA ALA 441 12.695 1.019 9.256 97 HB1 ALA 441 HB1 ALA 441 12.582 -1.052 10.553 98 HB2 ALA 441 HB2 ALA 441 14.229 -0.428 10.452 99 HB3 ALA 441 HB3 ALA 441 13.742 -1.799 9.454 100 H ASP 442 HN ASP 442 13.565 -1.025 6.544 101 HA ASP 442 HA ASP 442 16.272 -0.010 6.442 102 HB2 ASP 442 HB2 ASP 442 16.618 -1.453 4.576 103 HB3 ASP 442 HB1 ASP 442 15.673 -2.347 5.758 104 H GLY 443 HN GLY 443 13.429 1.369 5.729 105 HA2 GLY 443 HA2 GLY 443 13.277 3.562 4.908 106 HA3 GLY 443 HA1 GLY 443 14.795 3.332 4.055 107 H LYS 444 HN LYS 444 11.482 2.048 4.062 108 HA LYS 444 HA LYS 444 11.266 2.477 1.182 109 HB2 LYS 444 HB2 LYS 444 11.455 -0.102 2.538 110 HB3 LYS 444 HB1 LYS 444 10.299 0.124 1.272 111 HG2 LYS 444 HG2 LYS 444 11.952 0.427 -0.359 112 HG3 LYS 444 HG1 LYS 444 13.162 0.854 0.854 113 HD2 LYS 444 HD2 LYS 444 13.044 -1.498 1.684 114 HD3 LYS 444 HD1 LYS 444 12.000 -1.871 0.310 115 HE2 LYS 444 HE2 LYS 444 13.705 -1.522 -1.235 116 HE3 LYS 444 HE1 LYS 444 14.679 -0.597 -0.092 117 HZ1 LYS 444 HZ1 LYS 444 14.129 -3.513 0.059 118 HZ2 LYS 444 HZ2 LYS 444 15.044 -2.623 1.175 119 HZ3 LYS 444 HZ3 LYS 444 15.592 -2.798 -0.424 120 H THR 445 HN THR 445 9.224 3.008 0.648 121 HA THR 445 HA THR 445 7.068 2.438 2.543 122 HB THR 445 HB THR 445 5.876 3.933 0.620 123 HG1 THR 445 HG1 THR 445 7.288 5.387 -0.223 124 HG21 THR 445 HG21 THR 445 6.256 5.865 2.120 125 HG22 THR 445 HG22 THR 445 7.465 4.916 2.990 126 HG23 THR 445 HG23 THR 445 5.774 4.406 2.984 127 H TYR 446 HN TYR 446 5.197 1.333 1.967 128 HA TYR 446 HA TYR 446 4.989 0.232 -0.711 129 HB2 TYR 446 HB2 TYR 446 4.982 -2.059 -0.110 130 HB3 TYR 446 HB1 TYR 446 6.409 -1.381 0.658 131 HD1 TYR 446 HD1 TYR 446 6.535 -1.193 3.096 132 HD2 TYR 446 HD2 TYR 446 3.100 -2.834 1.194 133 HE1 TYR 446 HE1 TYR 446 5.787 -2.119 5.251 134 HE2 TYR 446 HE2 TYR 446 2.346 -3.764 3.338 135 HH TYR 446 HH TYR 446 3.217 -4.401 5.478 136 H TYR 447 HN TYR 447 2.877 -0.623 -1.148 137 HA TYR 447 HA TYR 447 0.927 0.700 0.597 138 HB2 TYR 447 HB2 TYR 447 0.691 -0.035 -2.324 139 HB3 TYR 447 HB1 TYR 447 -0.483 0.887 -1.379 140 HD1 TYR 447 HD1 TYR 447 0.207 3.110 -0.427 141 HD2 TYR 447 HD2 TYR 447 2.566 1.030 -3.289 142 HE1 TYR 447 HE1 TYR 447 1.441 5.180 -0.903 143 HE2 TYR 447 HE2 TYR 447 3.795 3.099 -3.784 144 HH TYR 447 HH TYR 447 3.602 5.853 -1.799 145 H TYR 448 HN TYR 448 -0.335 -0.465 1.756 146 HA TYR 448 HA TYR 448 -0.810 -3.277 1.032 147 HB2 TYR 448 HB2 TYR 448 0.406 -3.210 3.068 148 HB3 TYR 448 HB1 TYR 448 -0.544 -1.865 3.683 149 HD1 TYR 448 HD2 TYR 448 -0.796 -5.467 2.776 150 HD2 TYR 448 HD1 TYR 448 -2.361 -2.259 5.085 151 HE1 TYR 448 HE2 TYR 448 -2.248 -7.044 3.977 152 HE2 TYR 448 HE1 TYR 448 -3.814 -3.824 6.296 153 HH TYR 448 HH TYR 448 -3.581 -7.313 5.809 154 H ASN 449 HN ASN 449 -2.828 -3.733 0.419 155 HA ASN 449 HA ASN 449 -5.011 -1.936 1.152 156 HB2 ASN 449 HB2 ASN 449 -4.906 -2.902 -1.163 157 HB3 ASN 449 HB1 ASN 449 -5.146 -4.493 -0.459 158 HD21 ASN 449 HD21 ASN 449 -6.657 -1.528 -1.363 159 HD22 ASN 449 HD22 ASN 449 -8.286 -2.006 -1.000 160 H ASN 450 HN ASN 450 -6.350 -2.332 2.768 161 HA ASN 450 HA ASN 450 -5.626 -4.390 4.594 162 HB2 ASN 450 HB2 ASN 450 -7.839 -2.328 4.635 163 HB3 ASN 450 HB1 ASN 450 -7.573 -3.477 5.944 164 HD21 ASN 450 HD21 ASN 450 -6.339 -0.679 4.281 165 HD22 ASN 450 HD22 ASN 450 -5.161 -0.241 5.472 166 H ARG 451 HN ARG 451 -8.456 -3.990 2.413 167 HA ARG 451 HA ARG 451 -9.636 -6.330 3.711 168 HB2 ARG 451 HB2 ARG 451 -10.725 -4.786 1.363 169 HB3 ARG 451 HB1 ARG 451 -11.608 -5.845 2.455 170 HG2 ARG 451 HG2 ARG 451 -11.368 -4.281 4.255 171 HG3 ARG 451 HG1 ARG 451 -10.303 -3.263 3.282 172 HD2 ARG 451 HD2 ARG 451 -13.203 -3.862 2.707 173 HD3 ARG 451 HD1 ARG 451 -12.570 -2.356 3.368 174 HE ARG 451 HE ARG 451 -11.218 -2.462 1.098 175 HH11 ARG 451 HH11 ARG 451 -14.577 -3.209 1.700 176 HH12 ARG 451 HH12 ARG 451 -15.113 -2.683 0.128 177 HH21 ARG 451 HH21 ARG 451 -11.892 -1.763 -0.978 178 HH22 ARG 451 HH22 ARG 451 -13.583 -1.849 -1.391 179 H THR 452 HN THR 452 -7.583 -5.789 1.025 180 HA THR 452 HA THR 452 -8.140 -8.470 0.051 181 HB THR 452 HB THR 452 -6.118 -8.152 -1.363 182 HG1 THR 452 HG1 THR 452 -5.346 -5.940 -1.459 183 HG21 THR 452 HG21 THR 452 -8.338 -7.603 -2.225 184 HG22 THR 452 HG22 THR 452 -7.120 -6.500 -2.866 185 HG23 THR 452 HG23 THR 452 -8.195 -5.971 -1.572 186 H ASP 453 HN ASP 453 -5.965 -6.700 2.062 187 HA ASP 453 HA ASP 453 -4.289 -7.201 3.470 188 HB2 ASP 453 HB2 ASP 453 -5.716 -9.006 4.318 189 HB3 ASP 453 HB1 ASP 453 -5.123 -10.076 3.069 190 H GLU 454 HN GLU 454 -3.949 -6.802 0.687 191 HA GLU 454 HA GLU 454 -1.609 -8.535 0.168 192 HB2 GLU 454 HB2 GLU 454 -1.896 -8.288 -2.161 193 HB3 GLU 454 HB1 GLU 454 -3.503 -8.594 -1.523 194 HG2 GLU 454 HG2 GLU 454 -4.033 -6.229 -1.679 195 HG3 GLU 454 HG1 GLU 454 -2.410 -5.894 -2.279 196 H SER 455 HN SER 455 0.354 -7.660 -0.121 197 HA SER 455 HA SER 455 0.579 -4.746 0.145 198 HB2 SER 455 HB2 SER 455 2.964 -5.302 0.863 199 HB3 SER 455 HB1 SER 455 1.687 -5.806 1.967 200 HG SER 455 HG SER 455 3.138 -7.498 1.706 201 H THR 456 HN THR 456 1.357 -3.589 -1.508 202 HA THR 456 HA THR 456 2.913 -4.974 -3.576 203 HB THR 456 HB THR 456 0.553 -4.840 -4.345 204 HG1 THR 456 HG1 THR 456 2.151 -4.773 -5.940 205 HG21 THR 456 HG21 THR 456 0.033 -2.713 -3.133 206 HG22 THR 456 HG22 THR 456 -0.498 -2.744 -4.814 207 HG23 THR 456 HG23 THR 456 0.957 -1.855 -4.365 208 H TRP 457 HN TRP 457 4.355 -3.661 -4.745 209 HA TRP 457 HA TRP 457 5.099 -1.208 -3.363 210 HB2 TRP 457 HB2 TRP 457 6.487 -2.655 -5.630 211 HB3 TRP 457 HB1 TRP 457 7.144 -1.303 -4.712 212 HD1 TRP 457 HD1 TRP 457 6.480 -5.048 -4.473 213 HE1 TRP 457 HE1 TRP 457 7.680 -5.990 -2.399 214 HE3 TRP 457 HE3 TRP 457 7.993 -0.643 -2.364 215 HZ2 TRP 457 HZ2 TRP 457 9.081 -4.986 -0.162 216 HZ3 TRP 457 HZ3 TRP 457 9.257 -0.721 -0.254 217 HH2 TRP 457 HH2 TRP 457 9.788 -2.848 0.823 218 H GLU 458 HN GLU 458 3.068 -2.047 -5.782 219 HA GLU 458 HA GLU 458 3.431 0.294 -7.457 220 HB2 GLU 458 HB2 GLU 458 2.595 -1.692 -8.537 221 HB3 GLU 458 HB1 GLU 458 1.323 -1.873 -7.338 222 HG2 GLU 458 HG2 GLU 458 0.353 -1.052 -9.356 223 HG3 GLU 458 HG1 GLU 458 0.312 0.234 -8.155 224 H LYS 459 HN LYS 459 2.142 2.117 -7.410 225 HA LYS 459 HA LYS 459 0.884 2.634 -4.843 226 HB2 LYS 459 HB2 LYS 459 2.475 4.226 -6.049 227 HB3 LYS 459 HB1 LYS 459 1.153 4.545 -7.162 228 HG2 LYS 459 HG2 LYS 459 -0.218 5.332 -5.290 229 HG3 LYS 459 HG1 LYS 459 1.130 5.030 -4.192 230 HD2 LYS 459 HD2 LYS 459 2.495 6.595 -5.602 231 HD3 LYS 459 HD1 LYS 459 1.010 7.017 -6.452 232 HE2 LYS 459 HE2 LYS 459 0.031 7.638 -4.228 233 HE3 LYS 459 HE1 LYS 459 1.637 7.422 -3.536 234 HZ1 LYS 459 HZ1 LYS 459 0.795 9.404 -5.572 235 HZ2 LYS 459 HZ2 LYS 459 2.424 9.079 -5.217 236 HZ3 LYS 459 HZ3 LYS 459 1.405 9.704 -4.017 237 HA PRO 460 HA PRO 460 -3.182 1.511 -6.420 238 HB2 PRO 460 HB2 PRO 460 -4.500 2.916 -4.402 239 HB3 PRO 460 HB1 PRO 460 -4.001 1.225 -4.314 240 HG2 PRO 460 HG2 PRO 460 -2.656 3.660 -3.235 241 HG3 PRO 460 HG1 PRO 460 -2.777 2.038 -2.527 242 HD2 PRO 460 HD2 PRO 460 -0.520 2.878 -3.679 243 HD3 PRO 460 HD1 PRO 460 -1.068 1.198 -3.861 244 H GLN 461 HN GLN 461 -4.673 2.559 -7.684 245 HA GLN 461 HA GLN 461 -3.917 5.133 -8.635 246 HB2 GLN 461 HB2 GLN 461 -6.423 3.544 -9.193 247 HB3 GLN 461 HB1 GLN 461 -5.891 4.957 -10.094 248 HG2 GLN 461 HG2 GLN 461 -3.862 3.741 -10.755 249 HG3 GLN 461 HG1 GLN 461 -4.460 2.317 -9.903 250 HE21 GLN 461 HE21 GLN 461 -4.542 1.068 -11.772 251 HE22 GLN 461 HE22 GLN 461 -5.740 1.332 -13.001 252 H GLU 462 HN GLU 462 -5.924 4.127 -6.090 253 HA GLU 462 HA GLU 462 -7.555 6.508 -6.115 254 HB2 GLU 462 HB2 GLU 462 -8.460 5.580 -3.957 255 HB3 GLU 462 HB1 GLU 462 -8.683 4.565 -5.369 256 HG2 GLU 462 HG2 GLU 462 -8.057 3.033 -3.801 257 HG3 GLU 462 HG1 GLU 462 -6.513 3.404 -4.559 258 H LEU 463 HN LEU 463 -4.531 5.587 -4.901 259 HA LEU 463 HA LEU 463 -4.449 8.008 -3.215 260 HB2 LEU 463 HB2 LEU 463 -4.154 5.737 -2.081 261 HB3 LEU 463 HB1 LEU 463 -2.635 5.614 -2.945 262 HG LEU 463 HG LEU 463 -1.895 7.720 -1.811 263 HD11 LEU 463 HD11 LEU 463 -3.131 8.436 0.180 264 HD12 LEU 463 HD12 LEU 463 -4.414 7.290 -0.213 265 HD13 LEU 463 HD13 LEU 463 -4.082 8.644 -1.290 266 HD21 LEU 463 HD21 LEU 463 -1.454 6.648 0.340 267 HD22 LEU 463 HD22 LEU 463 -1.212 5.522 -0.996 268 HD23 LEU 463 HD23 LEU 463 -2.676 5.427 -0.013 269 H LYS 464 HN LYS 464 -3.608 6.895 -6.135 270 HA LYS 464 HA LYS 464 -0.840 7.337 -6.348 271 HB2 LYS 464 HB2 LYS 464 -2.942 6.545 -8.076 272 HB3 LYS 464 HB1 LYS 464 -2.126 7.898 -8.846 273 HG2 LYS 464 HG2 LYS 464 0.037 6.687 -8.495 274 HG3 LYS 464 HG1 LYS 464 -0.905 5.298 -7.950 275 HD2 LYS 464 HD2 LYS 464 -2.015 5.162 -10.096 276 HD3 LYS 464 HD1 LYS 464 -1.187 6.619 -10.648 277 HE2 LYS 464 HE2 LYS 464 0.023 4.847 -11.603 278 HE3 LYS 464 HE1 LYS 464 0.985 5.351 -10.215 279 HZ1 LYS 464 HZ1 LYS 464 0.945 3.035 -10.095 280 HZ2 LYS 464 HZ2 LYS 464 -0.693 2.935 -10.515 281 HZ3 LYS 464 HZ3 LYS 464 -0.247 3.503 -8.983 Start of MODEL 4 1 H1 GLY 428 HT1 GLY 428 4.942 15.043 0.908 2 H2 GLY 428 HT2 GLY 428 4.433 13.632 1.697 3 H3 GLY 428 HT3 GLY 428 3.769 15.129 2.125 4 HA2 GLY 428 HA1 GLY 428 2.702 15.342 0.007 5 HA3 GLY 428 HA2 GLY 428 3.481 13.863 -0.538 6 H ALA 429 HN ALA 429 0.874 13.877 -0.839 7 HA ALA 429 HA ALA 429 -0.615 12.931 1.383 8 HB1 ALA 429 HB1 ALA 429 -1.127 12.542 -1.567 9 HB2 ALA 429 HB2 ALA 429 -1.690 13.897 -0.589 10 HB3 ALA 429 HB3 ALA 429 -2.291 12.270 -0.270 11 H THR 430 HN THR 430 -0.493 11.031 2.355 12 HA THR 430 HA THR 430 0.336 8.676 0.831 13 HB THR 430 HB THR 430 2.413 9.527 1.753 14 HG1 THR 430 HG1 THR 430 2.096 7.241 1.769 15 HG21 THR 430 HG21 THR 430 2.774 9.704 4.176 16 HG22 THR 430 HG22 THR 430 1.062 9.374 4.444 17 HG23 THR 430 HG23 THR 430 1.555 10.844 3.604 18 H ALA 431 HN ALA 431 -0.675 6.873 1.381 19 HA ALA 431 HA ALA 431 -2.090 5.404 2.371 20 HB1 ALA 431 HB1 ALA 431 -1.629 6.977 4.900 21 HB2 ALA 431 HB2 ALA 431 -0.621 5.652 4.318 22 HB3 ALA 431 HB3 ALA 431 -2.296 5.349 4.780 23 H VAL 432 HN VAL 432 -4.070 5.593 1.522 24 HA VAL 432 HA VAL 432 -5.971 7.302 2.919 25 HB VAL 432 HB VAL 432 -7.055 8.047 0.848 26 HG11 VAL 432 HG11 VAL 432 -5.485 9.548 1.908 27 HG12 VAL 432 HG12 VAL 432 -5.398 9.720 0.156 28 HG13 VAL 432 HG13 VAL 432 -4.149 8.820 1.015 29 HG21 VAL 432 HG21 VAL 432 -6.372 6.288 -0.678 30 HG22 VAL 432 HG22 VAL 432 -4.690 6.817 -0.574 31 HG23 VAL 432 HG23 VAL 432 -5.902 7.861 -1.319 32 H SER 433 HN SER 433 -7.615 6.119 3.538 33 HA SER 433 HA SER 433 -9.365 4.668 3.519 34 HB2 SER 433 HB2 SER 433 -9.652 5.737 1.233 35 HB3 SER 433 HB1 SER 433 -8.865 4.308 0.572 36 HG SER 433 HG SER 433 -10.826 3.568 0.538 37 H GLU 434 HN GLU 434 -9.481 2.418 1.552 38 HA GLU 434 HA GLU 434 -8.506 0.410 3.195 39 HB2 GLU 434 HB2 GLU 434 -8.761 -1.131 1.224 40 HB3 GLU 434 HB1 GLU 434 -10.190 -0.225 1.662 41 HG2 GLU 434 HG2 GLU 434 -8.347 0.650 -0.537 42 HG3 GLU 434 HG1 GLU 434 -9.670 -0.481 -0.802 43 H TRP 435 HN TRP 435 -6.817 2.199 0.759 44 HA TRP 435 HA TRP 435 -4.594 0.306 0.836 45 HB2 TRP 435 HB2 TRP 435 -5.106 2.737 -0.882 46 HB3 TRP 435 HB1 TRP 435 -3.594 1.835 -0.904 47 HD1 TRP 435 HD1 TRP 435 -7.230 1.601 -2.032 48 HE1 TRP 435 HE1 TRP 435 -7.460 -0.376 -3.665 49 HE3 TRP 435 HE3 TRP 435 -2.585 -0.471 -1.456 50 HZ2 TRP 435 HZ2 TRP 435 -5.879 -2.524 -4.579 51 HZ3 TRP 435 HZ3 TRP 435 -2.030 -2.488 -2.748 52 HH2 TRP 435 HH2 TRP 435 -3.645 -3.493 -4.275 53 H THR 436 HN THR 436 -3.461 0.535 2.627 54 HA THR 436 HA THR 436 -2.871 3.247 3.599 55 HB THR 436 HB THR 436 -2.448 0.697 5.141 56 HG1 THR 436 HG1 THR 436 -4.791 1.700 4.304 57 HG21 THR 436 HG21 THR 436 -1.401 2.724 6.036 58 HG22 THR 436 HG22 THR 436 -2.712 2.177 7.080 59 HG23 THR 436 HG23 THR 436 -2.959 3.550 6.000 60 H GLU 437 HN GLU 437 -0.757 3.824 4.113 61 HA GLU 437 HA GLU 437 1.301 2.174 2.828 62 HB2 GLU 437 HB2 GLU 437 1.145 5.159 3.242 63 HB3 GLU 437 HB1 GLU 437 2.607 4.333 2.716 64 HG2 GLU 437 HG2 GLU 437 1.432 3.479 0.780 65 HG3 GLU 437 HG1 GLU 437 -0.021 4.349 1.272 66 H TYR 438 HN TYR 438 2.683 1.230 4.078 67 HA TYR 438 HA TYR 438 3.302 2.429 6.703 68 HB2 TYR 438 HB2 TYR 438 3.279 -0.490 5.893 69 HB3 TYR 438 HB1 TYR 438 3.896 0.105 7.430 70 HD1 TYR 438 HD1 TYR 438 2.325 1.157 9.052 71 HD2 TYR 438 HD2 TYR 438 0.954 -0.808 5.538 72 HE1 TYR 438 HE1 TYR 438 0.076 0.993 10.031 73 HE2 TYR 438 HE2 TYR 438 -1.302 -0.978 6.504 74 HH TYR 438 HH TYR 438 -2.368 -0.990 8.700 75 H LYS 439 HN LYS 439 5.438 2.787 7.163 76 HA LYS 439 HA LYS 439 7.230 2.553 4.876 77 HB2 LYS 439 HB2 LYS 439 6.991 4.695 6.160 78 HB3 LYS 439 HB1 LYS 439 7.737 3.892 7.534 79 HG2 LYS 439 HG2 LYS 439 9.530 4.989 6.614 80 HG3 LYS 439 HG1 LYS 439 9.672 3.407 5.857 81 HD2 LYS 439 HD2 LYS 439 10.008 4.888 4.088 82 HD3 LYS 439 HD1 LYS 439 8.330 4.416 3.882 83 HE2 LYS 439 HE2 LYS 439 9.478 7.013 4.924 84 HE3 LYS 439 HE1 LYS 439 8.358 6.762 3.592 85 HZ1 LYS 439 HZ1 LYS 439 6.687 6.080 5.296 86 HZ2 LYS 439 HZ2 LYS 439 7.157 7.703 5.392 87 HZ3 LYS 439 HZ3 LYS 439 7.775 6.575 6.499 88 H THR 440 HN THR 440 8.737 1.095 4.698 89 HA THR 440 HA THR 440 9.278 -0.738 6.883 90 HB THR 440 HB THR 440 10.697 -1.891 5.111 91 HG1 THR 440 HG1 THR 440 11.003 -0.805 3.330 92 HG21 THR 440 HG21 THR 440 7.763 -1.487 4.520 93 HG22 THR 440 HG22 THR 440 8.439 -2.652 5.658 94 HG23 THR 440 HG23 THR 440 8.755 -2.818 3.931 95 H ALA 441 HN ALA 441 11.403 -1.159 7.619 96 HA ALA 441 HA ALA 441 12.812 1.063 8.404 97 HB1 ALA 441 HB1 ALA 441 14.522 -0.452 9.191 98 HB2 ALA 441 HB2 ALA 441 13.897 -1.729 8.148 99 HB3 ALA 441 HB3 ALA 441 12.918 -1.126 9.486 100 H ASP 442 HN ASP 442 13.064 -0.486 5.298 101 HA ASP 442 HA ASP 442 15.700 0.614 4.788 102 HB2 ASP 442 HB2 ASP 442 15.508 -0.339 2.559 103 HB3 ASP 442 HB1 ASP 442 15.075 -1.537 3.770 104 H GLY 443 HN GLY 443 12.753 1.958 5.035 105 HA2 GLY 443 HA2 GLY 443 12.598 4.271 5.050 106 HA3 GLY 443 HA1 GLY 443 13.928 4.371 3.918 107 H LYS 444 HN LYS 444 10.973 2.480 3.418 108 HA LYS 444 HA LYS 444 9.706 4.697 2.022 109 HB2 LYS 444 HB2 LYS 444 9.817 2.153 0.582 110 HB3 LYS 444 HB1 LYS 444 9.351 3.714 -0.019 111 HG2 LYS 444 HG2 LYS 444 11.349 3.652 -1.038 112 HG3 LYS 444 HG1 LYS 444 11.952 4.161 0.541 113 HD2 LYS 444 HD2 LYS 444 12.339 1.805 1.127 114 HD3 LYS 444 HD1 LYS 444 11.773 1.326 -0.475 115 HE2 LYS 444 HE2 LYS 444 13.586 2.661 -1.476 116 HE3 LYS 444 HE1 LYS 444 14.175 3.040 0.141 117 HZ1 LYS 444 HZ1 LYS 444 15.465 1.251 -0.563 118 HZ2 LYS 444 HZ2 LYS 444 14.147 0.426 -1.237 119 HZ3 LYS 444 HZ3 LYS 444 14.301 0.531 0.447 120 H THR 445 HN THR 445 7.506 4.075 1.211 121 HA THR 445 HA THR 445 6.224 2.388 3.210 122 HB THR 445 HB THR 445 4.106 3.423 2.224 123 HG1 THR 445 HG1 THR 445 4.323 5.101 0.833 124 HG21 THR 445 HG21 THR 445 6.153 5.233 3.514 125 HG22 THR 445 HG22 THR 445 5.037 4.156 4.355 126 HG23 THR 445 HG23 THR 445 4.419 5.538 3.448 127 H TYR 446 HN TYR 446 5.115 0.565 2.741 128 HA TYR 446 HA TYR 446 4.963 -0.214 -0.091 129 HB2 TYR 446 HB2 TYR 446 4.883 -2.506 0.580 130 HB3 TYR 446 HB1 TYR 446 6.200 -1.758 1.468 131 HD1 TYR 446 HD1 TYR 446 5.876 -1.216 3.893 132 HD2 TYR 446 HD2 TYR 446 3.084 -3.551 1.703 133 HE1 TYR 446 HE1 TYR 446 4.968 -2.096 6.002 134 HE2 TYR 446 HE2 TYR 446 2.165 -4.430 3.804 135 HH TYR 446 HH TYR 446 2.984 -4.782 6.159 136 H TYR 447 HN TYR 447 2.998 -0.954 -0.929 137 HA TYR 447 HA TYR 447 0.811 0.500 0.325 138 HB2 TYR 447 HB2 TYR 447 0.981 -0.649 -2.472 139 HB3 TYR 447 HB1 TYR 447 -0.160 0.568 -1.882 140 HD1 TYR 447 HD2 TYR 447 0.871 2.707 -0.897 141 HD2 TYR 447 HD1 TYR 447 2.989 0.079 -3.475 142 HE1 TYR 447 HE2 TYR 447 2.499 4.483 -1.340 143 HE2 TYR 447 HE1 TYR 447 4.631 1.856 -3.941 144 HH TYR 447 HH TYR 447 4.851 4.671 -2.089 145 H TYR 448 HN TYR 448 -0.684 -0.498 1.417 146 HA TYR 448 HA TYR 448 -1.107 -3.378 0.950 147 HB2 TYR 448 HB2 TYR 448 0.273 -2.709 2.979 148 HB3 TYR 448 HB1 TYR 448 -1.196 -2.009 3.635 149 HD1 TYR 448 HD2 TYR 448 0.503 -5.128 2.703 150 HD2 TYR 448 HD1 TYR 448 -2.929 -3.436 4.562 151 HE1 TYR 448 HE2 TYR 448 -0.024 -7.310 3.692 152 HE2 TYR 448 HE1 TYR 448 -3.461 -5.619 5.571 153 HH TYR 448 HH TYR 448 -2.985 -8.046 5.136 154 H ASN 449 HN ASN 449 -3.116 -3.784 0.395 155 HA ASN 449 HA ASN 449 -5.268 -1.974 1.215 156 HB2 ASN 449 HB2 ASN 449 -5.202 -2.817 -1.152 157 HB3 ASN 449 HB1 ASN 449 -5.437 -4.437 -0.536 158 HD21 ASN 449 HD21 ASN 449 -7.089 -2.585 -2.261 159 HD22 ASN 449 HD22 ASN 449 -8.657 -2.632 -1.552 160 H ASN 450 HN ASN 450 -6.519 -2.439 2.921 161 HA ASN 450 HA ASN 450 -5.680 -4.646 4.521 162 HB2 ASN 450 HB2 ASN 450 -7.788 -2.540 4.991 163 HB3 ASN 450 HB1 ASN 450 -7.374 -3.787 6.165 164 HD21 ASN 450 HD21 ASN 450 -6.397 -0.851 4.641 165 HD22 ASN 450 HD22 ASN 450 -5.014 -0.549 5.632 166 H ARG 451 HN ARG 451 -8.708 -3.989 2.681 167 HA ARG 451 HA ARG 451 -9.793 -6.413 3.916 168 HB2 ARG 451 HB2 ARG 451 -11.064 -4.621 1.845 169 HB3 ARG 451 HB1 ARG 451 -11.869 -5.875 2.774 170 HG2 ARG 451 HG2 ARG 451 -11.554 -4.617 4.810 171 HG3 ARG 451 HG1 ARG 451 -10.639 -3.384 3.937 172 HD2 ARG 451 HD2 ARG 451 -13.554 -4.088 3.601 173 HD3 ARG 451 HD1 ARG 451 -12.884 -2.586 4.237 174 HE ARG 451 HE ARG 451 -12.749 -3.462 1.424 175 HH11 ARG 451 HH11 ARG 451 -12.604 -0.944 3.856 176 HH12 ARG 451 HH12 ARG 451 -12.527 0.345 2.688 177 HH21 ARG 451 HH21 ARG 451 -12.602 -1.796 -0.101 178 HH22 ARG 451 HH22 ARG 451 -12.472 -0.138 0.430 179 H THR 452 HN THR 452 -7.989 -5.692 1.093 180 HA THR 452 HA THR 452 -8.698 -8.299 0.015 181 HB THR 452 HB THR 452 -6.882 -7.947 -1.614 182 HG1 THR 452 HG1 THR 452 -5.833 -5.937 -1.655 183 HG21 THR 452 HG21 THR 452 -8.814 -5.636 -1.383 184 HG22 THR 452 HG22 THR 452 -9.143 -7.192 -2.144 185 HG23 THR 452 HG23 THR 452 -7.943 -6.105 -2.843 186 H ASP 453 HN ASP 453 -6.310 -6.687 1.904 187 HA ASP 453 HA ASP 453 -4.725 -7.372 3.367 188 HB2 ASP 453 HB2 ASP 453 -6.254 -9.320 3.831 189 HB3 ASP 453 HB1 ASP 453 -5.373 -10.221 2.610 190 H GLU 454 HN GLU 454 -4.415 -6.864 0.459 191 HA GLU 454 HA GLU 454 -2.153 -8.623 -0.208 192 HB2 GLU 454 HB2 GLU 454 -2.399 -7.951 -2.464 193 HB3 GLU 454 HB1 GLU 454 -4.027 -8.213 -1.860 194 HG2 GLU 454 HG2 GLU 454 -4.189 -5.744 -1.479 195 HG3 GLU 454 HG1 GLU 454 -2.649 -5.582 -2.324 196 H SER 455 HN SER 455 -0.128 -7.825 -0.737 197 HA SER 455 HA SER 455 0.382 -5.021 -0.006 198 HB2 SER 455 HB2 SER 455 2.668 -5.905 0.762 199 HB3 SER 455 HB1 SER 455 1.283 -6.266 1.791 200 HG SER 455 HG SER 455 1.227 -8.345 0.954 201 H THR 456 HN THR 456 1.226 -3.863 -1.594 202 HA THR 456 HA THR 456 2.893 -5.190 -3.614 203 HB THR 456 HB THR 456 0.657 -5.028 -4.589 204 HG1 THR 456 HG1 THR 456 1.221 -3.726 -6.433 205 HG21 THR 456 HG21 THR 456 -0.229 -3.190 -3.246 206 HG22 THR 456 HG22 THR 456 -0.416 -2.856 -4.968 207 HG23 THR 456 HG23 THR 456 0.864 -2.064 -4.052 208 H TRP 457 HN TRP 457 4.447 -3.841 -4.595 209 HA TRP 457 HA TRP 457 5.015 -1.391 -3.096 210 HB2 TRP 457 HB2 TRP 457 6.705 -3.036 -4.990 211 HB3 TRP 457 HB1 TRP 457 7.236 -1.514 -4.284 212 HD1 TRP 457 HD1 TRP 457 6.520 -5.159 -3.346 213 HE1 TRP 457 HE1 TRP 457 7.591 -5.650 -1.053 214 HE3 TRP 457 HE3 TRP 457 7.971 -0.414 -2.106 215 HZ2 TRP 457 HZ2 TRP 457 8.874 -4.206 1.003 216 HZ3 TRP 457 HZ3 TRP 457 9.109 -0.054 0.043 217 HH2 TRP 457 HH2 TRP 457 9.552 -1.913 1.565 218 H GLU 458 HN GLU 458 3.286 -2.224 -5.662 219 HA GLU 458 HA GLU 458 4.009 0.015 -7.385 220 HB2 GLU 458 HB2 GLU 458 3.509 -2.168 -8.395 221 HB3 GLU 458 HB1 GLU 458 1.916 -2.155 -7.658 222 HG2 GLU 458 HG2 GLU 458 1.321 -0.200 -9.003 223 HG3 GLU 458 HG1 GLU 458 2.913 -0.252 -9.764 224 H LYS 459 HN LYS 459 3.036 1.936 -7.166 225 HA LYS 459 HA LYS 459 1.216 2.367 -5.024 226 HB2 LYS 459 HB2 LYS 459 3.011 3.926 -6.330 227 HB3 LYS 459 HB1 LYS 459 1.516 4.502 -7.053 228 HG2 LYS 459 HG2 LYS 459 0.649 5.164 -4.934 229 HG3 LYS 459 HG1 LYS 459 1.964 4.349 -4.080 230 HD2 LYS 459 HD2 LYS 459 3.526 5.926 -5.364 231 HD3 LYS 459 HD1 LYS 459 2.075 6.850 -5.755 232 HE2 LYS 459 HE2 LYS 459 2.901 6.159 -2.941 233 HE3 LYS 459 HE1 LYS 459 3.376 7.651 -3.747 234 HZ1 LYS 459 HZ1 LYS 459 0.584 6.789 -3.213 235 HZ2 LYS 459 HZ2 LYS 459 1.039 8.227 -3.982 236 HZ3 LYS 459 HZ3 LYS 459 1.432 7.973 -2.351 237 HA PRO 460 HA PRO 460 -2.568 1.194 -7.185 238 HB2 PRO 460 HB2 PRO 460 -4.048 2.553 -5.181 239 HB3 PRO 460 HB1 PRO 460 -3.754 0.823 -5.302 240 HG2 PRO 460 HG2 PRO 460 -2.421 2.855 -3.631 241 HG3 PRO 460 HG1 PRO 460 -2.584 1.111 -3.366 242 HD2 PRO 460 HD2 PRO 460 -0.249 2.267 -4.077 243 HD3 PRO 460 HD1 PRO 460 -0.694 0.626 -4.582 244 H GLN 461 HN GLN 461 -4.142 2.233 -8.378 245 HA GLN 461 HA GLN 461 -3.561 4.789 -9.389 246 HB2 GLN 461 HB2 GLN 461 -6.149 3.230 -9.530 247 HB3 GLN 461 HB1 GLN 461 -5.764 4.638 -10.509 248 HG2 GLN 461 HG2 GLN 461 -4.215 2.062 -10.525 249 HG3 GLN 461 HG1 GLN 461 -5.465 2.495 -11.690 250 HE21 GLN 461 HE21 GLN 461 -5.035 4.069 -13.229 251 HE22 GLN 461 HE22 GLN 461 -3.430 4.626 -13.555 252 H GLU 462 HN GLU 462 -5.651 3.740 -6.790 253 HA GLU 462 HA GLU 462 -6.918 6.318 -6.491 254 HB2 GLU 462 HB2 GLU 462 -7.809 5.284 -4.345 255 HB3 GLU 462 HB1 GLU 462 -8.279 4.495 -5.846 256 HG2 GLU 462 HG2 GLU 462 -5.900 3.505 -4.354 257 HG3 GLU 462 HG1 GLU 462 -7.519 3.098 -3.787 258 H LEU 463 HN LEU 463 -4.005 4.926 -5.506 259 HA LEU 463 HA LEU 463 -3.685 6.921 -3.365 260 HB2 LEU 463 HB2 LEU 463 -3.837 4.633 -2.500 261 HB3 LEU 463 HB1 LEU 463 -2.521 4.137 -3.543 262 HG LEU 463 HG LEU 463 -0.966 5.554 -2.287 263 HD11 LEU 463 HD11 LEU 463 -3.345 6.196 -0.552 264 HD12 LEU 463 HD12 LEU 463 -2.515 7.316 -1.632 265 HD13 LEU 463 HD13 LEU 463 -1.673 6.659 -0.230 266 HD21 LEU 463 HD21 LEU 463 -2.615 3.762 -0.513 267 HD22 LEU 463 HD22 LEU 463 -0.960 4.287 -0.205 268 HD23 LEU 463 HD23 LEU 463 -1.313 3.243 -1.582 269 H LYS 464 HN LYS 464 -3.100 7.091 -6.254 270 HA LYS 464 HA LYS 464 -0.281 6.952 -6.612 271 HB2 LYS 464 HB2 LYS 464 -2.564 8.093 -8.141 272 HB3 LYS 464 HB1 LYS 464 -0.963 8.722 -8.494 273 HG2 LYS 464 HG2 LYS 464 -1.796 5.831 -8.649 274 HG3 LYS 464 HG1 LYS 464 -1.554 6.922 -10.016 275 HD2 LYS 464 HD2 LYS 464 0.820 7.238 -9.113 276 HD3 LYS 464 HD1 LYS 464 0.493 5.826 -8.108 277 HE2 LYS 464 HE2 LYS 464 0.454 5.961 -11.120 278 HE3 LYS 464 HE1 LYS 464 1.639 5.135 -10.113 279 HZ1 LYS 464 HZ1 LYS 464 0.187 3.482 -10.875 280 HZ2 LYS 464 HZ2 LYS 464 -1.193 4.408 -10.563 281 HZ3 LYS 464 HZ3 LYS 464 -0.297 3.770 -9.275 Start of MODEL 5 1 H1 GLY 428 HT1 GLY 428 -19.299 11.516 -5.924 2 H2 GLY 428 HT2 GLY 428 -19.349 9.996 -6.678 3 H3 GLY 428 HT3 GLY 428 -18.139 11.108 -7.093 4 HA2 GLY 428 HA1 GLY 428 -17.222 10.974 -4.856 5 HA3 GLY 428 HA2 GLY 428 -18.462 9.795 -4.453 6 H ALA 429 HN ALA 429 -15.320 10.081 -5.227 7 HA ALA 429 HA ALA 429 -14.937 7.985 -7.096 8 HB1 ALA 429 HB1 ALA 429 -13.019 9.062 -5.031 9 HB2 ALA 429 HB2 ALA 429 -13.240 9.695 -6.662 10 HB3 ALA 429 HB3 ALA 429 -12.594 8.072 -6.426 11 H THR 430 HN THR 430 -14.854 5.847 -6.843 12 HA THR 430 HA THR 430 -15.397 4.767 -4.184 13 HB THR 430 HB THR 430 -16.949 4.118 -5.962 14 HG1 THR 430 HG1 THR 430 -15.489 1.758 -5.515 15 HG21 THR 430 HG21 THR 430 -16.214 2.677 -7.814 16 HG22 THR 430 HG22 THR 430 -14.540 2.883 -7.299 17 HG23 THR 430 HG23 THR 430 -15.459 4.269 -7.883 18 H ALA 431 HN ALA 431 -14.232 2.988 -3.362 19 HA ALA 431 HA ALA 431 -12.352 1.884 -2.749 20 HB1 ALA 431 HB1 ALA 431 -12.731 0.696 -4.862 21 HB2 ALA 431 HB2 ALA 431 -11.014 0.830 -4.482 22 HB3 ALA 431 HB3 ALA 431 -11.728 1.882 -5.702 23 H VAL 432 HN VAL 432 -11.787 3.991 -1.753 24 HA VAL 432 HA VAL 432 -9.229 4.960 -2.758 25 HB VAL 432 HB VAL 432 -11.488 6.809 -1.944 26 HG11 VAL 432 HG11 VAL 432 -9.949 8.623 -2.528 27 HG12 VAL 432 HG12 VAL 432 -8.677 7.441 -2.836 28 HG13 VAL 432 HG13 VAL 432 -9.322 7.639 -1.207 29 HG21 VAL 432 HG21 VAL 432 -11.822 5.934 -4.192 30 HG22 VAL 432 HG22 VAL 432 -10.184 6.417 -4.635 31 HG23 VAL 432 HG23 VAL 432 -11.390 7.643 -4.243 32 H SER 433 HN SER 433 -7.817 4.941 -1.204 33 HA SER 433 HA SER 433 -6.804 5.374 0.772 34 HB2 SER 433 HB2 SER 433 -9.520 6.243 1.778 35 HB3 SER 433 HB1 SER 433 -7.990 6.472 2.627 36 HG SER 433 HG SER 433 -7.692 7.425 0.175 37 H GLU 434 HN GLU 434 -8.338 2.943 -0.033 38 HA GLU 434 HA GLU 434 -8.617 1.607 2.551 39 HB2 GLU 434 HB2 GLU 434 -9.166 -0.410 1.151 40 HB3 GLU 434 HB1 GLU 434 -10.292 0.927 1.015 41 HG2 GLU 434 HG2 GLU 434 -9.333 1.547 -1.116 42 HG3 GLU 434 HG1 GLU 434 -8.126 0.268 -0.965 43 H TRP 435 HN TRP 435 -6.219 2.450 0.491 44 HA TRP 435 HA TRP 435 -4.513 0.161 1.162 45 HB2 TRP 435 HB2 TRP 435 -4.060 2.466 -0.750 46 HB3 TRP 435 HB1 TRP 435 -2.935 1.143 -0.477 47 HD1 TRP 435 HD1 TRP 435 -6.521 1.697 -1.856 48 HE1 TRP 435 HE1 TRP 435 -6.969 -0.102 -3.637 49 HE3 TRP 435 HE3 TRP 435 -2.209 -1.013 -1.378 50 HZ2 TRP 435 HZ2 TRP 435 -5.668 -2.372 -4.701 51 HZ3 TRP 435 HZ3 TRP 435 -1.891 -2.985 -2.813 52 HH2 TRP 435 HH2 TRP 435 -3.586 -3.651 -4.439 53 H THR 436 HN THR 436 -3.291 0.357 2.918 54 HA THR 436 HA THR 436 -2.673 3.035 3.950 55 HB THR 436 HB THR 436 -2.271 0.409 5.380 56 HG1 THR 436 HG1 THR 436 -4.488 2.129 5.824 57 HG21 THR 436 HG21 THR 436 -2.559 3.242 6.388 58 HG22 THR 436 HG22 THR 436 -1.058 2.319 6.306 59 HG23 THR 436 HG23 THR 436 -2.348 1.808 7.393 60 H GLU 437 HN GLU 437 -0.550 3.578 4.508 61 HA GLU 437 HA GLU 437 1.496 2.085 3.034 62 HB2 GLU 437 HB2 GLU 437 1.418 4.945 3.994 63 HB3 GLU 437 HB1 GLU 437 2.854 4.191 3.315 64 HG2 GLU 437 HG2 GLU 437 1.599 3.751 1.248 65 HG3 GLU 437 HG1 GLU 437 0.235 4.646 1.925 66 H TYR 438 HN TYR 438 2.982 0.989 4.068 67 HA TYR 438 HA TYR 438 3.664 1.783 6.825 68 HB2 TYR 438 HB2 TYR 438 3.698 -1.016 5.693 69 HB3 TYR 438 HB1 TYR 438 4.173 -0.562 7.321 70 HD1 TYR 438 HD1 TYR 438 2.386 0.442 8.844 71 HD2 TYR 438 HD2 TYR 438 1.463 -1.566 5.210 72 HE1 TYR 438 HE1 TYR 438 0.085 0.088 9.630 73 HE2 TYR 438 HE2 TYR 438 -0.842 -1.919 5.986 74 HH TYR 438 HH TYR 438 -2.154 -0.322 8.682 75 H LYS 439 HN LYS 439 5.715 2.321 7.093 76 HA LYS 439 HA LYS 439 7.485 2.122 4.791 77 HB2 LYS 439 HB2 LYS 439 7.119 4.281 6.067 78 HB3 LYS 439 HB1 LYS 439 8.021 3.559 7.392 79 HG2 LYS 439 HG2 LYS 439 9.613 4.829 6.274 80 HG3 LYS 439 HG1 LYS 439 9.888 3.197 5.664 81 HD2 LYS 439 HD2 LYS 439 9.963 4.644 3.758 82 HD3 LYS 439 HD1 LYS 439 8.436 3.785 3.679 83 HE2 LYS 439 HE2 LYS 439 8.178 6.186 3.183 84 HE3 LYS 439 HE1 LYS 439 7.249 5.702 4.600 85 HZ1 LYS 439 HZ1 LYS 439 9.886 7.069 4.650 86 HZ2 LYS 439 HZ2 LYS 439 8.972 6.632 6.007 87 HZ3 LYS 439 HZ3 LYS 439 8.387 7.810 4.937 88 H THR 440 HN THR 440 9.162 0.839 4.645 89 HA THR 440 HA THR 440 9.835 -0.952 6.830 90 HB THR 440 HB THR 440 11.394 -1.946 5.084 91 HG1 THR 440 HG1 THR 440 11.613 -0.883 3.279 92 HG21 THR 440 HG21 THR 440 8.440 -1.818 4.478 93 HG22 THR 440 HG22 THR 440 9.243 -2.958 5.558 94 HG23 THR 440 HG23 THR 440 9.557 -3.016 3.823 95 H ALA 441 HN ALA 441 11.975 -1.181 7.620 96 HA ALA 441 HA ALA 441 13.212 1.084 8.496 97 HB1 ALA 441 HB1 ALA 441 14.567 -1.554 7.976 98 HB2 ALA 441 HB2 ALA 441 13.613 -1.145 9.403 99 HB3 ALA 441 HB3 ALA 441 15.122 -0.292 9.077 100 H ASP 442 HN ASP 442 13.776 -0.478 5.386 101 HA ASP 442 HA ASP 442 16.194 0.998 4.872 102 HB2 ASP 442 HB2 ASP 442 16.204 -0.047 2.698 103 HB3 ASP 442 HB1 ASP 442 15.799 -1.255 3.911 104 H GLY 443 HN GLY 443 13.071 1.945 4.991 105 HA2 GLY 443 HA2 GLY 443 12.601 4.231 4.920 106 HA3 GLY 443 HA1 GLY 443 13.941 4.464 3.822 107 H LYS 444 HN LYS 444 11.204 2.206 3.376 108 HA LYS 444 HA LYS 444 9.869 4.180 1.681 109 HB2 LYS 444 HB2 LYS 444 10.328 1.451 0.668 110 HB3 LYS 444 HB1 LYS 444 9.548 2.777 -0.138 111 HG2 LYS 444 HG2 LYS 444 11.570 2.696 -1.239 112 HG3 LYS 444 HG1 LYS 444 11.885 3.903 0.009 113 HD2 LYS 444 HD2 LYS 444 12.986 2.263 1.385 114 HD3 LYS 444 HD1 LYS 444 12.556 0.975 0.259 115 HE2 LYS 444 HE2 LYS 444 13.964 1.926 -1.440 116 HE3 LYS 444 HE1 LYS 444 14.299 3.333 -0.430 117 HZ1 LYS 444 HZ1 LYS 444 15.524 2.021 1.072 118 HZ2 LYS 444 HZ2 LYS 444 16.061 1.572 -0.470 119 HZ3 LYS 444 HZ3 LYS 444 14.985 0.569 0.382 120 H THR 445 HN THR 445 7.681 3.630 1.144 121 HA THR 445 HA THR 445 6.488 1.872 3.132 122 HB THR 445 HB THR 445 4.322 2.891 2.195 123 HG1 THR 445 HG1 THR 445 4.546 4.818 1.073 124 HG21 THR 445 HG21 THR 445 4.569 4.901 3.590 125 HG22 THR 445 HG22 THR 445 6.313 4.635 3.644 126 HG23 THR 445 HG23 THR 445 5.220 3.464 4.379 127 H TYR 446 HN TYR 446 5.443 0.059 2.672 128 HA TYR 446 HA TYR 446 5.086 -0.648 -0.151 129 HB2 TYR 446 HB2 TYR 446 4.789 -2.965 0.584 130 HB3 TYR 446 HB1 TYR 446 6.321 -2.327 1.156 131 HD1 TYR 446 HD1 TYR 446 6.656 -1.873 3.551 132 HD2 TYR 446 HD2 TYR 446 3.064 -3.639 2.113 133 HE1 TYR 446 HE1 TYR 446 6.120 -2.622 5.831 134 HE2 TYR 446 HE2 TYR 446 2.512 -4.387 4.389 135 HH TYR 446 HH TYR 446 3.803 -4.935 6.503 136 H TYR 447 HN TYR 447 3.053 -1.106 -0.941 137 HA TYR 447 HA TYR 447 1.018 0.292 0.591 138 HB2 TYR 447 HB2 TYR 447 1.080 -0.571 -2.306 139 HB3 TYR 447 HB1 TYR 447 -0.212 0.371 -1.557 140 HD1 TYR 447 HD2 TYR 447 0.663 2.495 -0.224 141 HD2 TYR 447 HD1 TYR 447 2.735 0.623 -3.434 142 HE1 TYR 447 HE2 TYR 447 1.921 4.567 -0.609 143 HE2 TYR 447 HE1 TYR 447 4.004 2.695 -3.827 144 HH TYR 447 HH TYR 447 4.133 5.219 -1.636 145 H TYR 448 HN TYR 448 -0.272 -0.763 1.801 146 HA TYR 448 HA TYR 448 -0.898 -3.561 1.180 147 HB2 TYR 448 HB2 TYR 448 0.219 -3.445 3.267 148 HB3 TYR 448 HB1 TYR 448 -0.702 -2.035 3.772 149 HD1 TYR 448 HD2 TYR 448 -1.028 -5.662 3.036 150 HD2 TYR 448 HD1 TYR 448 -2.651 -2.279 5.040 151 HE1 TYR 448 HE2 TYR 448 -2.623 -7.122 4.205 152 HE2 TYR 448 HE1 TYR 448 -4.249 -3.728 6.212 153 HH TYR 448 HH TYR 448 -4.058 -7.217 6.001 154 H ASN 449 HN ASN 449 -2.915 -3.982 0.518 155 HA ASN 449 HA ASN 449 -5.012 -2.008 0.992 156 HB2 ASN 449 HB2 ASN 449 -4.847 -3.129 -1.232 157 HB3 ASN 449 HB1 ASN 449 -5.207 -4.662 -0.447 158 HD21 ASN 449 HD21 ASN 449 -6.486 -1.638 -1.522 159 HD22 ASN 449 HD22 ASN 449 -8.158 -2.009 -1.256 160 H ASN 450 HN ASN 450 -6.611 -2.262 2.429 161 HA ASN 450 HA ASN 450 -6.051 -4.139 4.512 162 HB2 ASN 450 HB2 ASN 450 -8.110 -1.963 4.187 163 HB3 ASN 450 HB1 ASN 450 -8.108 -3.040 5.582 164 HD21 ASN 450 HD21 ASN 450 -6.458 -0.472 3.932 165 HD22 ASN 450 HD22 ASN 450 -5.375 -0.058 5.222 166 H ARG 451 HN ARG 451 -8.841 -3.780 2.250 167 HA ARG 451 HA ARG 451 -10.084 -5.980 3.713 168 HB2 ARG 451 HB2 ARG 451 -11.172 -4.441 1.354 169 HB3 ARG 451 HB1 ARG 451 -12.079 -5.457 2.469 170 HG2 ARG 451 HG2 ARG 451 -11.665 -3.908 4.277 171 HG3 ARG 451 HG1 ARG 451 -10.643 -2.922 3.232 172 HD2 ARG 451 HD2 ARG 451 -13.574 -3.458 2.793 173 HD3 ARG 451 HD1 ARG 451 -12.910 -1.994 3.513 174 HE ARG 451 HE ARG 451 -11.646 -1.992 1.187 175 HH11 ARG 451 HH11 ARG 451 -15.005 -2.704 1.882 176 HH12 ARG 451 HH12 ARG 451 -15.578 -2.068 0.363 177 HH21 ARG 451 HH21 ARG 451 -12.411 -1.126 -0.816 178 HH22 ARG 451 HH22 ARG 451 -14.122 -1.194 -1.146 179 H THR 452 HN THR 452 -8.105 -5.707 0.916 180 HA THR 452 HA THR 452 -8.822 -8.429 0.184 181 HB THR 452 HB THR 452 -6.846 -8.334 -1.325 182 HG1 THR 452 HG1 THR 452 -5.875 -6.270 -1.626 183 HG21 THR 452 HG21 THR 452 -8.842 -6.086 -1.622 184 HG22 THR 452 HG22 THR 452 -9.063 -7.755 -2.150 185 HG23 THR 452 HG23 THR 452 -7.838 -6.744 -2.916 186 H ASP 453 HN ASP 453 -6.539 -6.642 2.050 187 HA ASP 453 HA ASP 453 -4.742 -7.096 3.307 188 HB2 ASP 453 HB2 ASP 453 -6.131 -8.681 4.535 189 HB3 ASP 453 HB1 ASP 453 -5.797 -9.925 3.348 190 H GLU 454 HN GLU 454 -3.651 -6.505 1.353 191 HA GLU 454 HA GLU 454 -1.864 -8.634 0.433 192 HB2 GLU 454 HB2 GLU 454 -2.165 -8.133 -1.886 193 HB3 GLU 454 HB1 GLU 454 -3.766 -8.402 -1.211 194 HG2 GLU 454 HG2 GLU 454 -4.110 -5.985 -1.072 195 HG3 GLU 454 HG1 GLU 454 -2.509 -5.724 -1.761 196 H SER 455 HN SER 455 0.161 -7.846 -0.311 197 HA SER 455 HA SER 455 0.611 -4.978 0.203 198 HB2 SER 455 HB2 SER 455 2.489 -7.263 0.855 199 HB3 SER 455 HB1 SER 455 2.828 -5.550 1.101 200 HG SER 455 HG SER 455 0.472 -6.213 2.224 201 H THR 456 HN THR 456 1.260 -3.930 -1.538 202 HA THR 456 HA THR 456 2.939 -5.347 -3.497 203 HB THR 456 HB THR 456 0.613 -5.116 -4.367 204 HG1 THR 456 HG1 THR 456 1.261 -4.340 -6.370 205 HG21 THR 456 HG21 THR 456 -0.283 -2.938 -4.926 206 HG22 THR 456 HG22 THR 456 1.157 -2.146 -4.289 207 HG23 THR 456 HG23 THR 456 0.067 -3.002 -3.199 208 H TRP 457 HN TRP 457 4.478 -4.048 -4.582 209 HA TRP 457 HA TRP 457 5.196 -1.633 -3.088 210 HB2 TRP 457 HB2 TRP 457 6.771 -3.322 -5.045 211 HB3 TRP 457 HB1 TRP 457 7.390 -1.869 -4.264 212 HD1 TRP 457 HD1 TRP 457 6.548 -5.524 -3.548 213 HE1 TRP 457 HE1 TRP 457 7.544 -6.179 -1.263 214 HE3 TRP 457 HE3 TRP 457 8.053 -0.897 -1.969 215 HZ2 TRP 457 HZ2 TRP 457 8.796 -4.896 0.920 216 HZ3 TRP 457 HZ3 TRP 457 9.138 -0.696 0.233 217 HH2 TRP 457 HH2 TRP 457 9.503 -2.656 1.647 218 H GLU 458 HN GLU 458 3.300 -2.255 -5.599 219 HA GLU 458 HA GLU 458 4.190 -0.012 -7.256 220 HB2 GLU 458 HB2 GLU 458 3.427 -2.191 -8.289 221 HB3 GLU 458 HB1 GLU 458 1.814 -1.833 -7.690 222 HG2 GLU 458 HG2 GLU 458 2.135 -1.241 -10.061 223 HG3 GLU 458 HG1 GLU 458 1.675 0.130 -9.052 224 H LYS 459 HN LYS 459 2.913 1.842 -7.527 225 HA LYS 459 HA LYS 459 1.484 2.482 -5.092 226 HB2 LYS 459 HB2 LYS 459 3.237 3.958 -6.166 227 HB3 LYS 459 HB1 LYS 459 2.057 4.313 -7.421 228 HG2 LYS 459 HG2 LYS 459 0.592 5.349 -5.842 229 HG3 LYS 459 HG1 LYS 459 1.603 4.832 -4.491 230 HD2 LYS 459 HD2 LYS 459 3.457 6.192 -5.467 231 HD3 LYS 459 HD1 LYS 459 2.309 6.813 -6.653 232 HE2 LYS 459 HE2 LYS 459 2.586 8.358 -4.782 233 HE3 LYS 459 HE1 LYS 459 0.940 7.735 -4.867 234 HZ1 LYS 459 HZ1 LYS 459 1.338 6.307 -3.054 235 HZ2 LYS 459 HZ2 LYS 459 1.960 7.811 -2.588 236 HZ3 LYS 459 HZ3 LYS 459 3.007 6.574 -3.085 237 HA PRO 460 HA PRO 460 -2.538 1.666 -6.915 238 HB2 PRO 460 HB2 PRO 460 -3.890 2.864 -4.815 239 HB3 PRO 460 HB1 PRO 460 -3.395 1.171 -4.865 240 HG2 PRO 460 HG2 PRO 460 -2.096 3.490 -3.513 241 HG3 PRO 460 HG1 PRO 460 -2.241 1.809 -2.970 242 HD2 PRO 460 HD2 PRO 460 0.053 2.782 -3.979 243 HD3 PRO 460 HD1 PRO 460 -0.460 1.106 -4.257 244 H GLN 461 HN GLN 461 -3.960 2.868 -8.056 245 HA GLN 461 HA GLN 461 -3.227 5.461 -8.858 246 HB2 GLN 461 HB2 GLN 461 -5.763 3.881 -9.255 247 HB3 GLN 461 HB1 GLN 461 -5.511 5.465 -9.966 248 HG2 GLN 461 HG2 GLN 461 -5.096 3.671 -11.539 249 HG3 GLN 461 HG1 GLN 461 -3.648 4.629 -11.257 250 HE21 GLN 461 HE21 GLN 461 -1.891 3.677 -10.250 251 HE22 GLN 461 HE22 GLN 461 -1.769 1.975 -9.990 252 H GLU 462 HN GLU 462 -5.446 4.292 -6.462 253 HA GLU 462 HA GLU 462 -6.855 6.724 -6.082 254 HB2 GLU 462 HB2 GLU 462 -7.590 5.635 -3.913 255 HB3 GLU 462 HB1 GLU 462 -7.976 4.770 -5.387 256 HG2 GLU 462 HG2 GLU 462 -7.260 3.082 -4.032 257 HG3 GLU 462 HG1 GLU 462 -5.786 3.477 -4.909 258 H LEU 463 HN LEU 463 -3.737 5.764 -5.189 259 HA LEU 463 HA LEU 463 -3.559 7.991 -3.262 260 HB2 LEU 463 HB2 LEU 463 -3.156 5.614 -2.418 261 HB3 LEU 463 HB1 LEU 463 -1.703 5.623 -3.398 262 HG LEU 463 HG LEU 463 -0.894 7.588 -2.094 263 HD11 LEU 463 HD11 LEU 463 -1.997 8.111 0.024 264 HD12 LEU 463 HD12 LEU 463 -3.302 6.995 -0.381 265 HD13 LEU 463 HD13 LEU 463 -3.047 8.444 -1.353 266 HD21 LEU 463 HD21 LEU 463 -1.567 5.128 -0.484 267 HD22 LEU 463 HD22 LEU 463 -0.313 6.308 -0.097 268 HD23 LEU 463 HD23 LEU 463 -0.176 5.319 -1.551 269 H LYS 464 HN LYS 464 -3.110 7.498 -6.325 270 HA LYS 464 HA LYS 464 -0.305 7.879 -6.736 271 HB2 LYS 464 HB2 LYS 464 -1.854 6.740 -8.349 272 HB3 LYS 464 HB1 LYS 464 -2.547 8.316 -8.711 273 HG2 LYS 464 HG2 LYS 464 -0.084 8.974 -9.236 274 HG3 LYS 464 HG1 LYS 464 0.149 7.232 -9.383 275 HD2 LYS 464 HD2 LYS 464 -0.411 7.704 -11.540 276 HD3 LYS 464 HD1 LYS 464 -2.028 7.446 -10.885 277 HE2 LYS 464 HE2 LYS 464 -0.651 10.103 -11.270 278 HE3 LYS 464 HE1 LYS 464 -1.958 9.457 -12.256 279 HZ1 LYS 464 HZ1 LYS 464 -3.380 9.503 -10.253 280 HZ2 LYS 464 HZ2 LYS 464 -2.833 11.039 -10.712 281 HZ3 LYS 464 HZ3 LYS 464 -2.122 10.246 -9.391 Start of MODEL 6 1 H1 GLY 428 HT1 GLY 428 -25.658 2.372 0.820 2 H2 GLY 428 HT2 GLY 428 -24.837 0.888 0.864 3 H3 GLY 428 HT3 GLY 428 -24.860 1.802 -0.564 4 HA2 GLY 428 HA1 GLY 428 -23.539 3.515 0.422 5 HA3 GLY 428 HA2 GLY 428 -23.602 2.683 1.970 6 H ALA 429 HN ALA 429 -22.284 2.631 -1.277 7 HA ALA 429 HA ALA 429 -20.643 0.303 -0.606 8 HB1 ALA 429 HB1 ALA 429 -20.026 0.285 -2.966 9 HB2 ALA 429 HB2 ALA 429 -20.922 1.782 -3.221 10 HB3 ALA 429 HB3 ALA 429 -21.778 0.306 -2.775 11 H THR 430 HN THR 430 -19.085 1.061 0.771 12 HA THR 430 HA THR 430 -17.569 3.429 -0.024 13 HB THR 430 HB THR 430 -16.435 2.839 2.300 14 HG1 THR 430 HG1 THR 430 -17.519 0.937 2.757 15 HG21 THR 430 HG21 THR 430 -17.653 4.894 1.822 16 HG22 THR 430 HG22 THR 430 -18.096 4.266 3.408 17 HG23 THR 430 HG23 THR 430 -19.186 4.051 2.038 18 H ALA 431 HN ALA 431 -16.170 2.838 -1.591 19 HA ALA 431 HA ALA 431 -14.089 0.918 -0.811 20 HB1 ALA 431 HB1 ALA 431 -15.304 1.118 -3.569 21 HB2 ALA 431 HB2 ALA 431 -15.560 -0.198 -2.423 22 HB3 ALA 431 HB3 ALA 431 -13.956 0.081 -3.102 23 H VAL 432 HN VAL 432 -12.725 2.602 -0.237 24 HA VAL 432 HA VAL 432 -11.055 3.679 -2.180 25 HB VAL 432 HB VAL 432 -12.996 5.119 -2.739 26 HG11 VAL 432 HG11 VAL 432 -13.707 6.872 -1.173 27 HG12 VAL 432 HG12 VAL 432 -12.690 6.153 0.076 28 HG13 VAL 432 HG13 VAL 432 -14.063 5.254 -0.572 29 HG21 VAL 432 HG21 VAL 432 -10.672 6.589 -1.504 30 HG22 VAL 432 HG22 VAL 432 -11.810 7.266 -2.670 31 HG23 VAL 432 HG23 VAL 432 -10.746 5.939 -3.140 32 H SER 433 HN SER 433 -9.241 4.546 -1.236 33 HA SER 433 HA SER 433 -7.754 5.159 0.351 34 HB2 SER 433 HB2 SER 433 -10.206 5.867 1.977 35 HB3 SER 433 HB1 SER 433 -8.553 6.362 2.351 36 HG SER 433 HG SER 433 -9.131 6.954 -0.210 37 H GLU 434 HN GLU 434 -9.024 2.484 0.188 38 HA GLU 434 HA GLU 434 -8.806 1.422 2.878 39 HB2 GLU 434 HB2 GLU 434 -9.052 -0.782 1.542 40 HB3 GLU 434 HB1 GLU 434 -10.441 0.286 1.697 41 HG2 GLU 434 HG2 GLU 434 -9.998 1.156 -0.541 42 HG3 GLU 434 HG1 GLU 434 -8.598 0.086 -0.678 43 H TRP 435 HN TRP 435 -6.622 2.451 0.752 44 HA TRP 435 HA TRP 435 -4.704 0.278 1.166 45 HB2 TRP 435 HB2 TRP 435 -4.654 2.707 -0.632 46 HB3 TRP 435 HB1 TRP 435 -3.310 1.582 -0.468 47 HD1 TRP 435 HD1 TRP 435 -6.988 1.623 -1.699 48 HE1 TRP 435 HE1 TRP 435 -7.241 -0.212 -3.482 49 HE3 TRP 435 HE3 TRP 435 -2.334 -0.475 -1.373 50 HZ2 TRP 435 HZ2 TRP 435 -5.673 -2.289 -4.598 51 HZ3 TRP 435 HZ3 TRP 435 -1.796 -2.377 -2.828 52 HH2 TRP 435 HH2 TRP 435 -3.429 -3.269 -4.407 53 H THR 436 HN THR 436 -3.370 0.421 2.821 54 HA THR 436 HA THR 436 -2.630 3.098 3.833 55 HB THR 436 HB THR 436 -2.448 0.556 5.440 56 HG1 THR 436 HG1 THR 436 -4.703 2.052 4.760 57 HG21 THR 436 HG21 THR 436 -1.270 2.508 6.316 58 HG22 THR 436 HG22 THR 436 -2.647 2.100 7.341 59 HG23 THR 436 HG23 THR 436 -2.752 3.459 6.221 60 H GLU 437 HN GLU 437 -0.393 3.429 4.329 61 HA GLU 437 HA GLU 437 1.368 1.368 3.184 62 HB2 GLU 437 HB2 GLU 437 2.682 2.954 2.091 63 HB3 GLU 437 HB1 GLU 437 1.038 3.499 1.795 64 HG2 GLU 437 HG2 GLU 437 1.457 4.921 3.930 65 HG3 GLU 437 HG1 GLU 437 3.146 4.667 3.525 66 H TYR 438 HN TYR 438 3.409 1.203 4.029 67 HA TYR 438 HA TYR 438 3.917 2.458 6.629 68 HB2 TYR 438 HB2 TYR 438 4.183 -0.515 6.085 69 HB3 TYR 438 HB1 TYR 438 4.581 0.301 7.591 70 HD1 TYR 438 HD1 TYR 438 2.752 1.254 8.991 71 HD2 TYR 438 HD2 TYR 438 1.953 -1.153 5.575 72 HE1 TYR 438 HE1 TYR 438 0.457 0.884 9.795 73 HE2 TYR 438 HE2 TYR 438 -0.341 -1.530 6.368 74 HH TYR 438 HH TYR 438 -1.585 -1.501 8.479 75 H LYS 439 HN LYS 439 6.077 2.934 6.963 76 HA LYS 439 HA LYS 439 7.810 2.500 4.654 77 HB2 LYS 439 HB2 LYS 439 7.636 4.768 5.649 78 HB3 LYS 439 HB1 LYS 439 8.311 4.145 7.147 79 HG2 LYS 439 HG2 LYS 439 10.179 5.042 6.198 80 HG3 LYS 439 HG1 LYS 439 10.280 3.394 5.590 81 HD2 LYS 439 HD2 LYS 439 10.744 4.701 3.708 82 HD3 LYS 439 HD1 LYS 439 9.056 4.281 3.477 83 HE2 LYS 439 HE2 LYS 439 10.062 6.869 4.719 84 HE3 LYS 439 HE1 LYS 439 9.603 6.684 3.030 85 HZ1 LYS 439 HZ1 LYS 439 7.658 6.001 5.121 86 HZ2 LYS 439 HZ2 LYS 439 7.393 6.586 3.552 87 HZ3 LYS 439 HZ3 LYS 439 7.944 7.626 4.767 88 H THR 440 HN THR 440 9.338 1.071 4.579 89 HA THR 440 HA THR 440 9.808 -0.697 6.830 90 HB THR 440 HB THR 440 11.151 -1.967 5.065 91 HG1 THR 440 HG1 THR 440 11.435 -0.955 3.236 92 HG21 THR 440 HG21 THR 440 8.893 -2.629 5.710 93 HG22 THR 440 HG22 THR 440 9.134 -2.854 3.977 94 HG23 THR 440 HG23 THR 440 8.214 -1.468 4.569 95 H ALA 441 HN ALA 441 11.923 -1.231 7.549 96 HA ALA 441 HA ALA 441 13.455 0.905 8.325 97 HB1 ALA 441 HB1 ALA 441 14.421 -1.926 8.010 98 HB2 ALA 441 HB2 ALA 441 13.483 -1.307 9.370 99 HB3 ALA 441 HB3 ALA 441 15.107 -0.690 9.064 100 H ASP 442 HN ASP 442 13.647 -0.667 5.219 101 HA ASP 442 HA ASP 442 16.316 0.290 4.667 102 HB2 ASP 442 HB2 ASP 442 16.011 -0.569 2.431 103 HB3 ASP 442 HB1 ASP 442 15.411 -1.761 3.578 104 H GLY 443 HN GLY 443 13.407 1.770 4.967 105 HA2 GLY 443 HA2 GLY 443 13.210 4.085 4.938 106 HA3 GLY 443 HA1 GLY 443 14.551 4.182 3.816 107 H LYS 444 HN LYS 444 11.606 2.209 3.402 108 HA LYS 444 HA LYS 444 10.498 4.239 1.602 109 HB2 LYS 444 HB2 LYS 444 10.619 1.449 0.693 110 HB3 LYS 444 HB1 LYS 444 10.227 2.890 -0.201 111 HG2 LYS 444 HG2 LYS 444 12.507 3.576 -0.276 112 HG3 LYS 444 HG1 LYS 444 12.980 2.289 0.837 113 HD2 LYS 444 HD2 LYS 444 12.275 0.624 -0.852 114 HD3 LYS 444 HD1 LYS 444 11.922 1.946 -1.967 115 HE2 LYS 444 HE2 LYS 444 14.139 0.875 -2.331 116 HE3 LYS 444 HE1 LYS 444 14.225 2.607 -2.014 117 HZ1 LYS 444 HZ1 LYS 444 14.534 0.644 0.175 118 HZ2 LYS 444 HZ2 LYS 444 15.069 2.255 0.101 119 HZ3 LYS 444 HZ3 LYS 444 15.848 1.063 -0.812 120 H THR 445 HN THR 445 8.286 3.851 0.966 121 HA THR 445 HA THR 445 6.823 2.300 2.981 122 HB THR 445 HB THR 445 4.844 3.571 1.781 123 HG1 THR 445 HG1 THR 445 6.202 4.481 0.156 124 HG21 THR 445 HG21 THR 445 5.488 3.856 4.122 125 HG22 THR 445 HG22 THR 445 5.092 5.403 3.372 126 HG23 THR 445 HG23 THR 445 6.778 4.956 3.635 127 H TYR 446 HN TYR 446 5.463 0.654 2.503 128 HA TYR 446 HA TYR 446 5.060 0.005 -0.344 129 HB2 TYR 446 HB2 TYR 446 5.012 -2.324 0.163 130 HB3 TYR 446 HB1 TYR 446 6.434 -1.680 0.966 131 HD1 TYR 446 HD1 TYR 446 6.427 -1.408 3.443 132 HD2 TYR 446 HD2 TYR 446 3.236 -3.319 1.378 133 HE1 TYR 446 HE1 TYR 446 5.682 -2.435 5.551 134 HE2 TYR 446 HE2 TYR 446 2.480 -4.344 3.478 135 HH TYR 446 HH TYR 446 3.696 -3.397 6.539 136 H TYR 447 HN TYR 447 2.949 -0.839 -0.886 137 HA TYR 447 HA TYR 447 0.964 0.455 0.834 138 HB2 TYR 447 HB2 TYR 447 0.991 -0.048 -2.138 139 HB3 TYR 447 HB1 TYR 447 -0.411 0.580 -1.266 140 HD1 TYR 447 HD2 TYR 447 -0.264 2.770 -0.114 141 HD2 TYR 447 HD1 TYR 447 2.859 1.359 -2.631 142 HE1 TYR 447 HE2 TYR 447 0.673 5.036 -0.209 143 HE2 TYR 447 HE1 TYR 447 3.813 3.624 -2.724 144 HH TYR 447 HH TYR 447 3.046 6.004 -0.593 145 H TYR 448 HN TYR 448 -0.643 -0.559 1.666 146 HA TYR 448 HA TYR 448 -0.981 -3.427 1.100 147 HB2 TYR 448 HB2 TYR 448 0.278 -2.845 3.186 148 HB3 TYR 448 HB1 TYR 448 -1.149 -2.011 3.767 149 HD1 TYR 448 HD1 TYR 448 -3.202 -3.360 4.340 150 HD2 TYR 448 HD2 TYR 448 0.528 -5.168 3.378 151 HE1 TYR 448 HE1 TYR 448 -3.929 -5.438 5.437 152 HE2 TYR 448 HE2 TYR 448 -0.195 -7.249 4.462 153 HH TYR 448 HH TYR 448 -3.400 -7.852 5.387 154 H ASN 449 HN ASN 449 -2.973 -3.854 0.407 155 HA ASN 449 HA ASN 449 -5.142 -1.989 1.009 156 HB2 ASN 449 HB2 ASN 449 -5.011 -2.855 -1.298 157 HB3 ASN 449 HB1 ASN 449 -5.188 -4.495 -0.688 158 HD21 ASN 449 HD21 ASN 449 -6.837 -1.534 -1.422 159 HD22 ASN 449 HD22 ASN 449 -8.442 -2.116 -1.108 160 H ASN 450 HN ASN 450 -6.746 -2.415 2.403 161 HA ASN 450 HA ASN 450 -6.149 -4.455 4.316 162 HB2 ASN 450 HB2 ASN 450 -8.217 -2.269 4.181 163 HB3 ASN 450 HB1 ASN 450 -8.246 -3.486 5.458 164 HD21 ASN 450 HD21 ASN 450 -6.540 -0.759 4.120 165 HD22 ASN 450 HD22 ASN 450 -5.506 -0.494 5.484 166 H ARG 451 HN ARG 451 -8.922 -3.973 2.040 167 HA ARG 451 HA ARG 451 -10.117 -6.322 3.302 168 HB2 ARG 451 HB2 ARG 451 -11.216 -4.634 1.059 169 HB3 ARG 451 HB1 ARG 451 -12.098 -5.809 2.024 170 HG2 ARG 451 HG2 ARG 451 -11.808 -4.434 4.004 171 HG3 ARG 451 HG1 ARG 451 -10.872 -3.266 3.072 172 HD2 ARG 451 HD2 ARG 451 -13.758 -4.006 2.625 173 HD3 ARG 451 HD1 ARG 451 -13.163 -2.513 3.351 174 HE ARG 451 HE ARG 451 -11.963 -2.391 0.991 175 HH11 ARG 451 HH11 ARG 451 -15.233 -3.358 1.744 176 HH12 ARG 451 HH12 ARG 451 -15.904 -2.723 0.269 177 HH21 ARG 451 HH21 ARG 451 -12.807 -1.560 -0.964 178 HH22 ARG 451 HH22 ARG 451 -14.514 -1.735 -1.285 179 H THR 452 HN THR 452 -8.107 -5.759 0.582 180 HA THR 452 HA THR 452 -8.682 -8.451 -0.350 181 HB THR 452 HB THR 452 -6.717 -8.180 -1.818 182 HG1 THR 452 HG1 THR 452 -5.784 -6.047 -1.920 183 HG21 THR 452 HG21 THR 452 -8.676 -5.889 -1.935 184 HG22 THR 452 HG22 THR 452 -8.927 -7.501 -2.605 185 HG23 THR 452 HG23 THR 452 -7.674 -6.454 -3.271 186 H ASP 453 HN ASP 453 -6.540 -6.673 1.672 187 HA ASP 453 HA ASP 453 -5.093 -7.224 3.320 188 HB2 ASP 453 HB2 ASP 453 -6.650 -9.137 3.786 189 HB3 ASP 453 HB1 ASP 453 -5.688 -10.118 2.702 190 H GLU 454 HN GLU 454 -4.472 -6.860 0.487 191 HA GLU 454 HA GLU 454 -2.183 -8.647 0.071 192 HB2 GLU 454 HB2 GLU 454 -2.200 -7.997 -2.218 193 HB3 GLU 454 HB1 GLU 454 -3.874 -8.272 -1.768 194 HG2 GLU 454 HG2 GLU 454 -4.209 -5.860 -1.554 195 HG3 GLU 454 HG1 GLU 454 -2.526 -5.590 -2.001 196 H SER 455 HN SER 455 -0.112 -7.969 0.127 197 HA SER 455 HA SER 455 0.387 -5.096 0.530 198 HB2 SER 455 HB2 SER 455 2.628 -5.934 1.429 199 HB3 SER 455 HB1 SER 455 1.208 -6.296 2.409 200 HG SER 455 HG SER 455 2.370 -8.086 0.532 201 H THR 456 HN THR 456 1.290 -4.024 -1.104 202 HA THR 456 HA THR 456 3.042 -5.459 -2.963 203 HB THR 456 HB THR 456 0.854 -5.448 -4.049 204 HG1 THR 456 HG1 THR 456 1.711 -4.879 -5.919 205 HG21 THR 456 HG21 THR 456 -0.259 -3.359 -4.651 206 HG22 THR 456 HG22 THR 456 0.970 -2.443 -3.777 207 HG23 THR 456 HG23 THR 456 -0.119 -3.518 -2.900 208 H TRP 457 HN TRP 457 4.564 -4.118 -4.036 209 HA TRP 457 HA TRP 457 5.135 -1.675 -2.551 210 HB2 TRP 457 HB2 TRP 457 6.774 -3.254 -4.547 211 HB3 TRP 457 HB1 TRP 457 7.324 -1.772 -3.766 212 HD1 TRP 457 HD1 TRP 457 6.451 -5.428 -2.939 213 HE1 TRP 457 HE1 TRP 457 7.578 -6.055 -0.709 214 HE3 TRP 457 HE3 TRP 457 8.286 -0.833 -1.656 215 HZ2 TRP 457 HZ2 TRP 457 9.059 -4.758 1.321 216 HZ3 TRP 457 HZ3 TRP 457 9.544 -0.611 0.447 217 HH2 TRP 457 HH2 TRP 457 9.921 -2.533 1.903 218 H GLU 458 HN GLU 458 3.231 -2.312 -5.028 219 HA GLU 458 HA GLU 458 4.007 -0.050 -6.702 220 HB2 GLU 458 HB2 GLU 458 3.214 -2.129 -7.778 221 HB3 GLU 458 HB1 GLU 458 1.672 -1.958 -6.951 222 HG2 GLU 458 HG2 GLU 458 1.543 -1.218 -9.269 223 HG3 GLU 458 HG1 GLU 458 1.226 0.102 -8.144 224 H LYS 459 HN LYS 459 2.780 1.815 -6.906 225 HA LYS 459 HA LYS 459 1.267 2.482 -4.520 226 HB2 LYS 459 HB2 LYS 459 3.035 3.978 -5.603 227 HB3 LYS 459 HB1 LYS 459 1.846 4.301 -6.857 228 HG2 LYS 459 HG2 LYS 459 0.324 5.229 -5.217 229 HG3 LYS 459 HG1 LYS 459 1.461 4.845 -3.923 230 HD2 LYS 459 HD2 LYS 459 3.134 6.305 -5.148 231 HD3 LYS 459 HD1 LYS 459 1.779 6.849 -6.144 232 HE2 LYS 459 HE2 LYS 459 0.598 7.527 -4.068 233 HE3 LYS 459 HE1 LYS 459 2.040 7.101 -3.149 234 HZ1 LYS 459 HZ1 LYS 459 2.052 9.431 -3.539 235 HZ2 LYS 459 HZ2 LYS 459 1.777 9.232 -5.195 236 HZ3 LYS 459 HZ3 LYS 459 3.264 8.755 -4.519 237 HA PRO 460 HA PRO 460 -2.660 1.513 -6.389 238 HB2 PRO 460 HB2 PRO 460 -4.144 3.044 -4.619 239 HB3 PRO 460 HB1 PRO 460 -3.626 1.381 -4.331 240 HG2 PRO 460 HG2 PRO 460 -2.402 3.938 -3.396 241 HG3 PRO 460 HG1 PRO 460 -2.609 2.409 -2.522 242 HD2 PRO 460 HD2 PRO 460 -0.244 3.115 -3.536 243 HD3 PRO 460 HD1 PRO 460 -0.788 1.424 -3.568 244 H GLN 461 HN GLN 461 -3.923 2.428 -7.886 245 HA GLN 461 HA GLN 461 -3.200 4.925 -8.987 246 HB2 GLN 461 HB2 GLN 461 -5.531 3.096 -9.535 247 HB3 GLN 461 HB1 GLN 461 -5.192 4.545 -10.475 248 HG2 GLN 461 HG2 GLN 461 -2.963 3.635 -10.983 249 HG3 GLN 461 HG1 GLN 461 -3.408 2.149 -10.157 250 HE21 GLN 461 HE21 GLN 461 -3.076 0.986 -12.075 251 HE22 GLN 461 HE22 GLN 461 -4.225 1.029 -13.369 252 H GLU 462 HN GLU 462 -5.201 4.233 -6.409 253 HA GLU 462 HA GLU 462 -6.926 6.547 -6.763 254 HB2 GLU 462 HB2 GLU 462 -8.051 5.877 -4.771 255 HB3 GLU 462 HB1 GLU 462 -7.735 4.403 -5.675 256 HG2 GLU 462 HG2 GLU 462 -6.235 3.615 -4.162 257 HG3 GLU 462 HG1 GLU 462 -5.746 5.226 -3.640 258 H LEU 463 HN LEU 463 -3.878 5.833 -5.434 259 HA LEU 463 HA LEU 463 -4.025 8.146 -3.610 260 HB2 LEU 463 HB2 LEU 463 -3.916 5.813 -2.597 261 HB3 LEU 463 HB1 LEU 463 -2.291 5.707 -3.244 262 HG LEU 463 HG LEU 463 -1.654 7.682 -1.873 263 HD11 LEU 463 HD11 LEU 463 -3.165 8.393 -0.080 264 HD12 LEU 463 HD12 LEU 463 -4.426 7.350 -0.733 265 HD13 LEU 463 HD13 LEU 463 -3.839 8.720 -1.674 266 HD21 LEU 463 HD21 LEU 463 -1.620 6.495 0.262 267 HD22 LEU 463 HD22 LEU 463 -1.247 5.406 -1.076 268 HD23 LEU 463 HD23 LEU 463 -2.846 5.375 -0.333 269 H LYS 464 HN LYS 464 -3.041 7.705 -6.480 270 HA LYS 464 HA LYS 464 -0.286 7.840 -6.714 271 HB2 LYS 464 HB2 LYS 464 -2.166 9.524 -8.366 272 HB3 LYS 464 HB1 LYS 464 -0.607 8.866 -8.842 273 HG2 LYS 464 HG2 LYS 464 -1.511 6.625 -8.813 274 HG3 LYS 464 HG1 LYS 464 -3.066 7.238 -8.250 275 HD2 LYS 464 HD2 LYS 464 -1.737 7.786 -10.898 276 HD3 LYS 464 HD1 LYS 464 -3.199 6.843 -10.613 277 HE2 LYS 464 HE2 LYS 464 -2.835 9.815 -10.248 278 HE3 LYS 464 HE1 LYS 464 -3.827 9.003 -11.458 279 HZ1 LYS 464 HZ1 LYS 464 -5.051 8.042 -9.440 280 HZ2 LYS 464 HZ2 LYS 464 -5.335 9.658 -9.847 281 HZ3 LYS 464 HZ3 LYS 464 -4.308 9.285 -8.558 Start of MODEL 7 1 H1 GLY 428 HT1 GLY 428 -5.072 12.386 -8.029 2 H2 GLY 428 HT2 GLY 428 -4.956 13.972 -8.618 3 H3 GLY 428 HT3 GLY 428 -6.472 13.329 -8.211 4 HA2 GLY 428 HA1 GLY 428 -4.257 13.843 -6.305 5 HA3 GLY 428 HA2 GLY 428 -5.664 14.874 -6.522 6 H ALA 429 HN ALA 429 -5.314 11.333 -6.337 7 HA ALA 429 HA ALA 429 -7.343 11.367 -4.202 8 HB1 ALA 429 HB1 ALA 429 -8.013 10.157 -6.215 9 HB2 ALA 429 HB2 ALA 429 -7.841 9.061 -4.844 10 HB3 ALA 429 HB3 ALA 429 -6.587 9.129 -6.080 11 H THR 430 HN THR 430 -7.003 10.131 -2.321 12 HA THR 430 HA THR 430 -4.196 9.342 -1.895 13 HB THR 430 HB THR 430 -5.902 10.546 0.278 14 HG1 THR 430 HG1 THR 430 -4.328 12.439 -0.510 15 HG21 THR 430 HG21 THR 430 -3.834 9.428 0.964 16 HG22 THR 430 HG22 THR 430 -3.710 11.170 1.208 17 HG23 THR 430 HG23 THR 430 -2.914 10.416 -0.172 18 H ALA 431 HN ALA 431 -6.473 7.617 -2.583 19 HA ALA 431 HA ALA 431 -7.101 5.510 -2.111 20 HB1 ALA 431 HB1 ALA 431 -4.846 5.135 -1.250 21 HB2 ALA 431 HB2 ALA 431 -6.053 4.242 -0.324 22 HB3 ALA 431 HB3 ALA 431 -5.353 5.720 0.335 23 H VAL 432 HN VAL 432 -8.946 4.839 -1.425 24 HA VAL 432 HA VAL 432 -10.411 6.480 0.460 25 HB VAL 432 HB VAL 432 -12.363 5.011 -0.168 26 HG11 VAL 432 HG11 VAL 432 -12.606 5.998 -2.403 27 HG12 VAL 432 HG12 VAL 432 -10.888 6.402 -2.404 28 HG13 VAL 432 HG13 VAL 432 -11.971 7.162 -1.238 29 HG21 VAL 432 HG21 VAL 432 -10.384 3.894 -2.160 30 HG22 VAL 432 HG22 VAL 432 -12.124 3.601 -2.166 31 HG23 VAL 432 HG23 VAL 432 -11.136 3.011 -0.829 32 H SER 433 HN SER 433 -8.619 5.503 1.962 33 HA SER 433 HA SER 433 -8.210 4.444 3.912 34 HB2 SER 433 HB2 SER 433 -10.597 5.147 4.370 35 HB3 SER 433 HB1 SER 433 -11.092 3.532 3.868 36 HG SER 433 HG SER 433 -9.619 2.751 5.549 37 H GLU 434 HN GLU 434 -8.273 3.080 1.254 38 HA GLU 434 HA GLU 434 -8.493 0.270 1.982 39 HB2 GLU 434 HB2 GLU 434 -7.951 1.727 -0.598 40 HB3 GLU 434 HB1 GLU 434 -7.767 -0.017 -0.461 41 HG2 GLU 434 HG2 GLU 434 -10.313 1.451 0.170 42 HG3 GLU 434 HG1 GLU 434 -9.943 0.740 -1.402 43 H TRP 435 HN TRP 435 -6.031 2.017 0.128 44 HA TRP 435 HA TRP 435 -3.990 0.231 1.182 45 HB2 TRP 435 HB2 TRP 435 -3.756 2.388 -0.929 46 HB3 TRP 435 HB1 TRP 435 -2.566 1.141 -0.572 47 HD1 TRP 435 HD1 TRP 435 -6.046 1.579 -2.142 48 HE1 TRP 435 HE1 TRP 435 -6.513 -0.423 -3.690 49 HE3 TRP 435 HE3 TRP 435 -1.927 -1.245 -1.059 50 HZ2 TRP 435 HZ2 TRP 435 -5.280 -2.871 -4.372 51 HZ3 TRP 435 HZ3 TRP 435 -1.646 -3.405 -2.204 52 HH2 TRP 435 HH2 TRP 435 -3.288 -4.200 -3.824 53 H THR 436 HN THR 436 -2.745 0.772 2.821 54 HA THR 436 HA THR 436 -2.383 3.634 3.478 55 HB THR 436 HB THR 436 -1.925 1.367 5.402 56 HG1 THR 436 HG1 THR 436 -4.248 1.965 4.272 57 HG21 THR 436 HG21 THR 436 -1.105 3.593 6.032 58 HG22 THR 436 HG22 THR 436 -2.434 3.090 7.076 59 HG23 THR 436 HG23 THR 436 -2.719 4.259 5.786 60 H GLU 437 HN GLU 437 -0.248 4.340 3.978 61 HA GLU 437 HA GLU 437 1.795 2.669 2.744 62 HB2 GLU 437 HB2 GLU 437 1.642 5.013 2.043 63 HB3 GLU 437 HB1 GLU 437 1.926 5.536 3.690 64 HG2 GLU 437 HG2 GLU 437 3.951 3.812 2.384 65 HG3 GLU 437 HG1 GLU 437 3.833 5.498 1.894 66 H TYR 438 HN TYR 438 2.809 1.310 3.941 67 HA TYR 438 HA TYR 438 3.524 2.038 6.704 68 HB2 TYR 438 HB2 TYR 438 3.136 -0.660 5.393 69 HB3 TYR 438 HB1 TYR 438 3.900 -0.464 6.968 70 HD1 TYR 438 HD1 TYR 438 2.560 0.538 8.844 71 HD2 TYR 438 HD2 TYR 438 0.783 -0.651 5.168 72 HE1 TYR 438 HE1 TYR 438 0.357 0.509 9.930 73 HE2 TYR 438 HE2 TYR 438 -1.432 -0.685 6.242 74 HH TYR 438 HH TYR 438 -2.388 -0.917 8.511 75 H LYS 439 HN LYS 439 5.692 1.671 7.366 76 HA LYS 439 HA LYS 439 7.533 1.741 5.084 77 HB2 LYS 439 HB2 LYS 439 7.452 3.700 6.660 78 HB3 LYS 439 HB1 LYS 439 8.079 2.636 7.912 79 HG2 LYS 439 HG2 LYS 439 9.884 3.909 6.977 80 HG3 LYS 439 HG1 LYS 439 10.071 2.216 6.517 81 HD2 LYS 439 HD2 LYS 439 10.519 3.333 4.511 82 HD3 LYS 439 HD1 LYS 439 8.837 2.878 4.330 83 HE2 LYS 439 HE2 LYS 439 9.833 5.592 5.256 84 HE3 LYS 439 HE1 LYS 439 9.256 5.202 3.641 85 HZ1 LYS 439 HZ1 LYS 439 7.551 6.305 4.925 86 HZ2 LYS 439 HZ2 LYS 439 7.637 5.129 6.136 87 HZ3 LYS 439 HZ3 LYS 439 7.065 4.714 4.594 88 H THR 440 HN THR 440 9.133 0.323 4.863 89 HA THR 440 HA THR 440 9.369 -1.877 6.742 90 HB THR 440 HB THR 440 11.056 -2.718 5.065 91 HG1 THR 440 HG1 THR 440 11.665 -1.408 3.538 92 HG21 THR 440 HG21 THR 440 8.725 -3.468 4.990 93 HG22 THR 440 HG22 THR 440 9.393 -3.314 3.365 94 HG23 THR 440 HG23 THR 440 8.304 -2.076 3.992 95 H ALA 441 HN ALA 441 11.385 -2.428 7.729 96 HA ALA 441 HA ALA 441 12.581 -0.339 9.097 97 HB1 ALA 441 HB1 ALA 441 12.547 -2.672 9.859 98 HB2 ALA 441 HB2 ALA 441 14.160 -1.965 9.940 99 HB3 ALA 441 HB3 ALA 441 13.749 -3.078 8.635 100 H ASP 442 HN ASP 442 13.404 -1.585 5.966 101 HA ASP 442 HA ASP 442 16.083 -0.510 5.973 102 HB2 ASP 442 HB2 ASP 442 16.193 -1.234 3.651 103 HB3 ASP 442 HB1 ASP 442 15.539 -2.521 4.656 104 H GLY 443 HN GLY 443 13.128 0.919 5.802 105 HA2 GLY 443 HA2 GLY 443 12.834 3.241 5.643 106 HA3 GLY 443 HA1 GLY 443 14.362 3.355 4.783 107 H LYS 444 HN LYS 444 11.270 1.661 4.249 108 HA LYS 444 HA LYS 444 11.094 2.962 1.622 109 HB2 LYS 444 HB2 LYS 444 11.252 0.115 2.242 110 HB3 LYS 444 HB1 LYS 444 10.113 0.676 1.055 111 HG2 LYS 444 HG2 LYS 444 13.103 0.968 1.033 112 HG3 LYS 444 HG1 LYS 444 12.114 0.068 -0.122 113 HD2 LYS 444 HD2 LYS 444 11.024 2.271 -0.714 114 HD3 LYS 444 HD1 LYS 444 12.284 3.053 0.240 115 HE2 LYS 444 HE2 LYS 444 13.006 3.127 -2.001 116 HE3 LYS 444 HE1 LYS 444 13.958 1.867 -1.218 117 HZ1 LYS 444 HZ1 LYS 444 12.685 0.188 -2.252 118 HZ2 LYS 444 HZ2 LYS 444 13.040 1.316 -3.471 119 HZ3 LYS 444 HZ3 LYS 444 11.500 1.288 -2.765 120 H THR 445 HN THR 445 9.140 3.329 0.781 121 HA THR 445 HA THR 445 6.821 2.963 2.492 122 HB THR 445 HB THR 445 5.694 4.311 0.654 123 HG1 THR 445 HG1 THR 445 6.946 4.128 -1.116 124 HG21 THR 445 HG21 THR 445 6.422 5.427 2.660 125 HG22 THR 445 HG22 THR 445 6.820 6.440 1.273 126 HG23 THR 445 HG23 THR 445 8.084 5.499 2.067 127 H TYR 446 HN TYR 446 5.124 1.625 2.041 128 HA TYR 446 HA TYR 446 4.767 0.625 -0.649 129 HB2 TYR 446 HB2 TYR 446 4.693 -1.716 -0.106 130 HB3 TYR 446 HB1 TYR 446 6.250 -1.083 0.396 131 HD1 TYR 446 HD1 TYR 446 6.826 -0.953 2.771 132 HD2 TYR 446 HD2 TYR 446 3.079 -2.513 1.500 133 HE1 TYR 446 HE1 TYR 446 6.491 -1.951 4.995 134 HE2 TYR 446 HE2 TYR 446 2.734 -3.507 3.720 135 HH TYR 446 HH TYR 446 4.672 -2.730 6.422 136 H TYR 447 HN TYR 447 2.657 -0.071 -1.056 137 HA TYR 447 HA TYR 447 0.815 1.137 0.867 138 HB2 TYR 447 HB2 TYR 447 0.422 0.534 -2.070 139 HB3 TYR 447 HB1 TYR 447 -0.707 1.407 -1.031 140 HD1 TYR 447 HD2 TYR 447 0.251 3.517 0.160 141 HD2 TYR 447 HD1 TYR 447 2.011 1.734 -3.278 142 HE1 TYR 447 HE2 TYR 447 1.438 5.617 -0.310 143 HE2 TYR 447 HE1 TYR 447 3.208 3.830 -3.759 144 HH TYR 447 HH TYR 447 3.342 6.440 -1.496 145 H TYR 448 HN TYR 448 -0.264 -0.121 2.109 146 HA TYR 448 HA TYR 448 -0.671 -2.939 1.379 147 HB2 TYR 448 HB2 TYR 448 0.689 -2.373 3.387 148 HB3 TYR 448 HB1 TYR 448 -0.715 -1.587 4.087 149 HD1 TYR 448 HD1 TYR 448 -2.680 -2.999 4.777 150 HD2 TYR 448 HD2 TYR 448 1.005 -4.700 3.512 151 HE1 TYR 448 HE1 TYR 448 -3.282 -5.119 5.877 152 HE2 TYR 448 HE2 TYR 448 0.412 -6.818 4.597 153 HH TYR 448 HH TYR 448 -2.666 -7.576 5.665 154 H ASN 449 HN ASN 449 -2.676 -3.452 0.780 155 HA ASN 449 HA ASN 449 -4.918 -1.756 1.582 156 HB2 ASN 449 HB2 ASN 449 -4.783 -2.610 -0.769 157 HB3 ASN 449 HB1 ASN 449 -4.961 -4.246 -0.142 158 HD21 ASN 449 HD21 ASN 449 -6.580 -1.488 -1.195 159 HD22 ASN 449 HD22 ASN 449 -8.183 -1.948 -0.725 160 H ASN 450 HN ASN 450 -6.458 -2.377 2.989 161 HA ASN 450 HA ASN 450 -5.574 -4.321 4.895 162 HB2 ASN 450 HB2 ASN 450 -7.916 -2.421 4.826 163 HB3 ASN 450 HB1 ASN 450 -7.655 -3.557 6.147 164 HD21 ASN 450 HD21 ASN 450 -6.517 -0.665 4.574 165 HD22 ASN 450 HD22 ASN 450 -5.445 -0.169 5.839 166 H ARG 451 HN ARG 451 -8.591 -4.101 2.875 167 HA ARG 451 HA ARG 451 -9.360 -6.635 4.115 168 HB2 ARG 451 HB2 ARG 451 -10.725 -4.590 2.438 169 HB3 ARG 451 HB1 ARG 451 -11.352 -6.233 2.405 170 HG2 ARG 451 HG2 ARG 451 -12.575 -5.049 4.034 171 HG3 ARG 451 HG1 ARG 451 -11.469 -6.140 4.860 172 HD2 ARG 451 HD2 ARG 451 -11.573 -3.917 5.928 173 HD3 ARG 451 HD1 ARG 451 -9.958 -4.321 5.351 174 HE ARG 451 HE ARG 451 -11.323 -2.900 3.343 175 HH11 ARG 451 HH11 ARG 451 -10.033 -2.337 6.561 176 HH12 ARG 451 HH12 ARG 451 -9.624 -0.679 6.233 177 HH21 ARG 451 HH21 ARG 451 -10.725 -0.758 2.896 178 HH22 ARG 451 HH22 ARG 451 -9.989 0.211 4.145 179 H THR 452 HN THR 452 -7.694 -5.697 1.328 180 HA THR 452 HA THR 452 -8.081 -8.332 0.186 181 HB THR 452 HB THR 452 -6.635 -7.634 -1.576 182 HG1 THR 452 HG1 THR 452 -5.230 -6.027 -1.369 183 HG21 THR 452 HG21 THR 452 -7.776 -5.380 -2.117 184 HG22 THR 452 HG22 THR 452 -8.614 -5.605 -0.567 185 HG23 THR 452 HG23 THR 452 -8.804 -6.790 -1.862 186 H ASP 453 HN ASP 453 -5.953 -6.504 2.171 187 HA ASP 453 HA ASP 453 -4.368 -7.042 3.682 188 HB2 ASP 453 HB2 ASP 453 -5.897 -8.928 4.214 189 HB3 ASP 453 HB1 ASP 453 -5.037 -9.910 3.049 190 H GLU 454 HN GLU 454 -3.789 -6.561 0.927 191 HA GLU 454 HA GLU 454 -1.305 -8.129 0.636 192 HB2 GLU 454 HB2 GLU 454 -1.528 -8.091 -1.754 193 HB3 GLU 454 HB1 GLU 454 -3.031 -8.703 -1.078 194 HG2 GLU 454 HG2 GLU 454 -3.995 -6.421 -1.343 195 HG3 GLU 454 HG1 GLU 454 -2.518 -5.952 -2.184 196 H SER 455 HN SER 455 0.515 -7.017 -0.162 197 HA SER 455 HA SER 455 0.317 -4.092 0.064 198 HB2 SER 455 HB2 SER 455 2.784 -4.320 0.791 199 HB3 SER 455 HB1 SER 455 1.538 -4.800 1.944 200 HG SER 455 HG SER 455 1.953 -6.923 1.534 201 H THR 456 HN THR 456 1.015 -2.912 -1.600 202 HA THR 456 HA THR 456 2.605 -4.248 -3.691 203 HB THR 456 HB THR 456 0.323 -3.791 -4.486 204 HG1 THR 456 HG1 THR 456 1.459 -3.547 -6.257 205 HG21 THR 456 HG21 THR 456 -0.224 -1.881 -3.072 206 HG22 THR 456 HG22 THR 456 -0.459 -1.486 -4.775 207 HG23 THR 456 HG23 THR 456 0.967 -0.894 -3.921 208 H TRP 457 HN TRP 457 4.185 -3.006 -4.742 209 HA TRP 457 HA TRP 457 5.161 -0.742 -3.164 210 HB2 TRP 457 HB2 TRP 457 6.518 -2.343 -5.349 211 HB3 TRP 457 HB1 TRP 457 7.274 -1.064 -4.405 212 HD1 TRP 457 HD1 TRP 457 6.154 -4.705 -4.161 213 HE1 TRP 457 HE1 TRP 457 7.155 -5.746 -2.030 214 HE3 TRP 457 HE3 TRP 457 8.090 -0.480 -2.019 215 HZ2 TRP 457 HZ2 TRP 457 8.570 -4.891 0.252 216 HZ3 TRP 457 HZ3 TRP 457 9.247 -0.681 0.139 217 HH2 TRP 457 HH2 TRP 457 9.481 -2.843 1.252 218 H GLU 458 HN GLU 458 3.118 -1.142 -5.617 219 HA GLU 458 HA GLU 458 4.070 1.179 -7.160 220 HB2 GLU 458 HB2 GLU 458 3.719 -0.948 -8.424 221 HB3 GLU 458 HB1 GLU 458 2.029 -0.916 -7.942 222 HG2 GLU 458 HG2 GLU 458 2.402 -0.110 -10.238 223 HG3 GLU 458 HG1 GLU 458 1.647 1.094 -9.194 224 H LYS 459 HN LYS 459 2.504 2.819 -7.702 225 HA LYS 459 HA LYS 459 0.779 3.388 -5.493 226 HB2 LYS 459 HB2 LYS 459 1.222 4.836 -8.102 227 HB3 LYS 459 HB1 LYS 459 0.162 5.424 -6.827 228 HG2 LYS 459 HG2 LYS 459 2.029 5.539 -5.289 229 HG3 LYS 459 HG1 LYS 459 3.103 4.886 -6.522 230 HD2 LYS 459 HD2 LYS 459 3.469 7.221 -6.527 231 HD3 LYS 459 HD1 LYS 459 2.464 6.899 -7.939 232 HE2 LYS 459 HE2 LYS 459 1.329 7.765 -5.289 233 HE3 LYS 459 HE1 LYS 459 1.834 8.910 -6.527 234 HZ1 LYS 459 HZ1 LYS 459 -0.211 6.797 -6.918 235 HZ2 LYS 459 HZ2 LYS 459 0.229 7.986 -8.040 236 HZ3 LYS 459 HZ3 LYS 459 -0.555 8.423 -6.598 237 HA PRO 460 HA PRO 460 -2.807 1.180 -6.978 238 HB2 PRO 460 HB2 PRO 460 -4.461 2.414 -5.114 239 HB3 PRO 460 HB1 PRO 460 -3.570 0.913 -4.865 240 HG2 PRO 460 HG2 PRO 460 -2.911 3.675 -3.987 241 HG3 PRO 460 HG1 PRO 460 -2.603 2.130 -3.177 242 HD2 PRO 460 HD2 PRO 460 -0.664 3.513 -4.437 243 HD3 PRO 460 HD1 PRO 460 -0.675 1.739 -4.382 244 H GLN 461 HN GLN 461 -4.650 1.679 -8.139 245 HA GLN 461 HA GLN 461 -4.655 3.992 -9.685 246 HB2 GLN 461 HB2 GLN 461 -6.759 3.291 -10.538 247 HB3 GLN 461 HB1 GLN 461 -5.791 1.854 -10.280 248 HG2 GLN 461 HG2 GLN 461 -7.999 2.854 -8.485 249 HG3 GLN 461 HG1 GLN 461 -8.137 1.543 -9.651 250 HE21 GLN 461 HE21 GLN 461 -8.573 1.551 -6.777 251 HE22 GLN 461 HE22 GLN 461 -7.519 0.346 -6.129 252 H GLU 462 HN GLU 462 -6.055 3.425 -6.592 253 HA GLU 462 HA GLU 462 -7.715 5.803 -6.686 254 HB2 GLU 462 HB2 GLU 462 -8.372 5.142 -4.407 255 HB3 GLU 462 HB1 GLU 462 -8.581 3.837 -5.570 256 HG2 GLU 462 HG2 GLU 462 -6.526 2.797 -4.802 257 HG3 GLU 462 HG1 GLU 462 -6.273 4.118 -3.660 258 H LEU 463 HN LEU 463 -4.534 5.495 -6.437 259 HA LEU 463 HA LEU 463 -4.287 7.592 -4.378 260 HB2 LEU 463 HB2 LEU 463 -3.153 5.421 -3.872 261 HB3 LEU 463 HB1 LEU 463 -2.153 5.665 -5.291 262 HG LEU 463 HG LEU 463 -1.300 7.774 -4.251 263 HD11 LEU 463 HD11 LEU 463 -3.144 8.212 -2.738 264 HD12 LEU 463 HD12 LEU 463 -1.624 8.088 -1.853 265 HD13 LEU 463 HD13 LEU 463 -2.768 6.747 -1.832 266 HD21 LEU 463 HD21 LEU 463 -0.890 5.222 -2.706 267 HD22 LEU 463 HD22 LEU 463 0.163 6.636 -2.650 268 HD23 LEU 463 HD23 LEU 463 -0.013 5.725 -4.151 269 H LYS 464 HN LYS 464 -4.555 7.358 -7.550 270 HA LYS 464 HA LYS 464 -2.387 9.235 -8.137 271 HB2 LYS 464 HB2 LYS 464 -3.080 8.930 -10.538 272 HB3 LYS 464 HB1 LYS 464 -2.436 7.497 -9.757 273 HG2 LYS 464 HG2 LYS 464 -4.675 6.603 -9.484 274 HG3 LYS 464 HG1 LYS 464 -5.361 8.070 -10.187 275 HD2 LYS 464 HD2 LYS 464 -4.283 7.611 -12.297 276 HD3 LYS 464 HD1 LYS 464 -3.457 6.212 -11.609 277 HE2 LYS 464 HE2 LYS 464 -5.355 5.486 -12.924 278 HE3 LYS 464 HE1 LYS 464 -5.639 5.143 -11.220 279 HZ1 LYS 464 HZ1 LYS 464 -7.033 7.110 -11.089 280 HZ2 LYS 464 HZ2 LYS 464 -7.602 6.058 -12.290 281 HZ3 LYS 464 HZ3 LYS 464 -6.745 7.456 -12.724 Start of MODEL 8 1 H1 GLY 428 HT1 GLY 428 -12.866 9.265 -5.677 2 H2 GLY 428 HT2 GLY 428 -14.111 9.317 -6.822 3 H3 GLY 428 HT3 GLY 428 -12.567 8.766 -7.268 4 HA2 GLY 428 HA1 GLY 428 -14.120 6.926 -7.002 5 HA3 GLY 428 HA2 GLY 428 -12.776 6.844 -5.873 6 H ALA 429 HN ALA 429 -15.437 5.656 -5.673 7 HA ALA 429 HA ALA 429 -16.186 6.855 -3.086 8 HB1 ALA 429 HB1 ALA 429 -17.882 7.452 -4.747 9 HB2 ALA 429 HB2 ALA 429 -18.533 6.350 -3.535 10 HB3 ALA 429 HB3 ALA 429 -18.106 5.745 -5.135 11 H THR 430 HN THR 430 -16.197 5.467 -1.456 12 HA THR 430 HA THR 430 -16.328 3.558 -0.264 13 HB THR 430 HB THR 430 -17.043 2.123 -2.805 14 HG1 THR 430 HG1 THR 430 -18.461 3.770 -1.130 15 HG21 THR 430 HG21 THR 430 -17.376 1.300 0.084 16 HG22 THR 430 HG22 THR 430 -16.242 0.598 -1.070 17 HG23 THR 430 HG23 THR 430 -17.978 0.407 -1.314 18 H ALA 431 HN ALA 431 -14.800 3.184 -3.286 19 HA ALA 431 HA ALA 431 -12.665 1.570 -2.109 20 HB1 ALA 431 HB1 ALA 431 -13.176 2.248 -5.006 21 HB2 ALA 431 HB2 ALA 431 -13.629 0.746 -4.200 22 HB3 ALA 431 HB3 ALA 431 -11.925 1.159 -4.403 23 H VAL 432 HN VAL 432 -11.768 3.281 -0.882 24 HA VAL 432 HA VAL 432 -9.709 4.701 -2.190 25 HB VAL 432 HB VAL 432 -11.603 6.200 -2.766 26 HG11 VAL 432 HG11 VAL 432 -13.046 5.789 -0.857 27 HG12 VAL 432 HG12 VAL 432 -12.706 7.513 -1.018 28 HG13 VAL 432 HG13 VAL 432 -11.877 6.560 0.214 29 HG21 VAL 432 HG21 VAL 432 -9.360 7.106 -2.521 30 HG22 VAL 432 HG22 VAL 432 -9.644 7.373 -0.800 31 HG23 VAL 432 HG23 VAL 432 -10.572 8.278 -1.997 32 H SER 433 HN SER 433 -8.180 5.307 -0.753 33 HA SER 433 HA SER 433 -6.973 5.392 1.163 34 HB2 SER 433 HB2 SER 433 -8.908 6.850 1.949 35 HB3 SER 433 HB1 SER 433 -9.577 5.406 2.707 36 HG SER 433 HG SER 433 -6.939 5.789 3.332 37 H GLU 434 HN GLU 434 -8.275 2.992 -0.036 38 HA GLU 434 HA GLU 434 -8.553 0.976 1.950 39 HB2 GLU 434 HB2 GLU 434 -8.119 0.980 -1.025 40 HB3 GLU 434 HB1 GLU 434 -8.116 -0.522 -0.115 41 HG2 GLU 434 HG2 GLU 434 -10.403 1.355 0.191 42 HG3 GLU 434 HG1 GLU 434 -10.285 0.344 -1.253 43 H TRP 435 HN TRP 435 -5.893 2.549 0.571 44 HA TRP 435 HA TRP 435 -4.072 0.360 1.284 45 HB2 TRP 435 HB2 TRP 435 -3.700 2.590 -0.730 46 HB3 TRP 435 HB1 TRP 435 -2.497 1.364 -0.341 47 HD1 TRP 435 HD1 TRP 435 -5.971 1.689 -2.027 48 HE1 TRP 435 HE1 TRP 435 -6.260 -0.280 -3.658 49 HE3 TRP 435 HE3 TRP 435 -1.711 -0.921 -0.914 50 HZ2 TRP 435 HZ2 TRP 435 -4.871 -2.616 -4.380 51 HZ3 TRP 435 HZ3 TRP 435 -1.268 -3.013 -2.131 52 HH2 TRP 435 HH2 TRP 435 -2.818 -3.844 -3.827 53 H THR 436 HN THR 436 -2.961 0.697 3.067 54 HA THR 436 HA THR 436 -2.441 3.431 4.002 55 HB THR 436 HB THR 436 -1.747 0.921 5.509 56 HG1 THR 436 HG1 THR 436 -4.317 2.168 5.310 57 HG21 THR 436 HG21 THR 436 -2.606 3.679 6.396 58 HG22 THR 436 HG22 THR 436 -0.958 3.052 6.411 59 HG23 THR 436 HG23 THR 436 -2.182 2.339 7.463 60 H GLU 437 HN GLU 437 -0.289 4.145 4.404 61 HA GLU 437 HA GLU 437 1.725 2.596 2.909 62 HB2 GLU 437 HB2 GLU 437 1.099 5.012 2.293 63 HB3 GLU 437 HB1 GLU 437 2.009 5.470 3.717 64 HG2 GLU 437 HG2 GLU 437 3.959 4.250 2.735 65 HG3 GLU 437 HG1 GLU 437 3.023 4.107 1.252 66 H TYR 438 HN TYR 438 3.274 1.649 3.955 67 HA TYR 438 HA TYR 438 4.013 2.566 6.668 68 HB2 TYR 438 HB2 TYR 438 3.795 -0.259 5.615 69 HB3 TYR 438 HB1 TYR 438 4.573 0.151 7.137 70 HD1 TYR 438 HD1 TYR 438 3.188 1.146 8.978 71 HD2 TYR 438 HD2 TYR 438 1.451 -0.495 5.456 72 HE1 TYR 438 HE1 TYR 438 1.034 0.940 10.143 73 HE2 TYR 438 HE2 TYR 438 -0.712 -0.696 6.611 74 HH TYR 438 HH TYR 438 -1.375 0.815 9.562 75 H LYS 439 HN LYS 439 6.200 2.739 7.099 76 HA LYS 439 HA LYS 439 7.995 2.238 4.838 77 HB2 LYS 439 HB2 LYS 439 8.041 4.452 6.043 78 HB3 LYS 439 HB1 LYS 439 8.643 3.607 7.461 79 HG2 LYS 439 HG2 LYS 439 10.569 4.464 6.491 80 HG3 LYS 439 HG1 LYS 439 10.542 2.798 5.918 81 HD2 LYS 439 HD2 LYS 439 11.115 4.126 4.028 82 HD3 LYS 439 HD1 LYS 439 9.444 3.651 3.785 83 HE2 LYS 439 HE2 LYS 439 8.791 5.889 4.825 84 HE3 LYS 439 HE1 LYS 439 10.495 6.323 4.759 85 HZ1 LYS 439 HZ1 LYS 439 9.513 7.207 2.835 86 HZ2 LYS 439 HZ2 LYS 439 8.675 5.775 2.486 87 HZ3 LYS 439 HZ3 LYS 439 10.358 5.833 2.305 88 H THR 440 HN THR 440 9.458 0.693 4.813 89 HA THR 440 HA THR 440 9.464 -1.311 6.910 90 HB THR 440 HB THR 440 10.977 -2.508 5.208 91 HG1 THR 440 HG1 THR 440 11.387 -1.506 3.393 92 HG21 THR 440 HG21 THR 440 8.634 -3.104 5.543 93 HG22 THR 440 HG22 THR 440 9.066 -3.196 3.836 94 HG23 THR 440 HG23 THR 440 8.140 -1.821 4.436 95 H ALA 441 HN ALA 441 11.397 -2.104 7.861 96 HA ALA 441 HA ALA 441 13.119 -0.230 8.915 97 HB1 ALA 441 HB1 ALA 441 12.753 -2.465 9.847 98 HB2 ALA 441 HB2 ALA 441 14.467 -2.082 9.695 99 HB3 ALA 441 HB3 ALA 441 13.699 -3.162 8.531 100 H ASP 442 HN ASP 442 13.358 -1.745 5.788 101 HA ASP 442 HA ASP 442 16.137 -1.099 5.396 102 HB2 ASP 442 HB2 ASP 442 15.680 -1.636 3.000 103 HB3 ASP 442 HB1 ASP 442 15.242 -2.927 4.114 104 H GLY 443 HN GLY 443 13.382 0.725 5.560 105 HA2 GLY 443 HA2 GLY 443 13.426 3.057 5.606 106 HA3 GLY 443 HA1 GLY 443 14.867 3.038 4.608 107 H LYS 444 HN LYS 444 11.779 1.398 3.882 108 HA LYS 444 HA LYS 444 11.160 3.529 1.959 109 HB2 LYS 444 HB2 LYS 444 11.118 0.673 1.233 110 HB3 LYS 444 HB1 LYS 444 10.721 2.040 0.232 111 HG2 LYS 444 HG2 LYS 444 12.994 2.744 0.124 112 HG3 LYS 444 HG1 LYS 444 13.469 1.549 1.335 113 HD2 LYS 444 HD2 LYS 444 14.073 0.849 -0.943 114 HD3 LYS 444 HD1 LYS 444 12.921 -0.256 -0.192 115 HE2 LYS 444 HE2 LYS 444 11.093 0.897 -1.400 116 HE3 LYS 444 HE1 LYS 444 12.300 1.899 -2.208 117 HZ1 LYS 444 HZ1 LYS 444 11.609 0.021 -3.574 118 HZ2 LYS 444 HZ2 LYS 444 12.134 -1.061 -2.376 119 HZ3 LYS 444 HZ3 LYS 444 13.260 -0.081 -3.183 120 H THR 445 HN THR 445 9.010 3.530 1.159 121 HA THR 445 HA THR 445 7.145 2.343 3.071 122 HB THR 445 HB THR 445 5.679 4.118 1.576 123 HG1 THR 445 HG1 THR 445 6.944 5.680 0.872 124 HG21 THR 445 HG21 THR 445 7.226 4.507 4.133 125 HG22 THR 445 HG22 THR 445 5.553 3.984 3.961 126 HG23 THR 445 HG23 THR 445 6.008 5.637 3.547 127 H TYR 446 HN TYR 446 5.194 1.410 2.421 128 HA TYR 446 HA TYR 446 4.932 0.603 -0.371 129 HB2 TYR 446 HB2 TYR 446 4.738 -1.762 0.155 130 HB3 TYR 446 HB1 TYR 446 6.298 -1.175 0.713 131 HD1 TYR 446 HD1 TYR 446 6.701 -0.873 3.149 132 HD2 TYR 446 HD2 TYR 446 3.118 -2.637 1.679 133 HE1 TYR 446 HE1 TYR 446 6.241 -1.793 5.382 134 HE2 TYR 446 HE2 TYR 446 2.654 -3.551 3.911 135 HH TYR 446 HH TYR 446 3.986 -4.187 5.963 136 H TYR 447 HN TYR 447 2.812 -0.140 -0.883 137 HA TYR 447 HA TYR 447 0.854 1.072 0.921 138 HB2 TYR 447 HB2 TYR 447 0.662 0.374 -2.015 139 HB3 TYR 447 HB1 TYR 447 -0.593 1.184 -1.072 140 HD1 TYR 447 HD2 TYR 447 0.091 3.357 0.127 141 HD2 TYR 447 HD1 TYR 447 2.303 1.654 -3.081 142 HE1 TYR 447 HE2 TYR 447 1.194 5.516 -0.245 143 HE2 TYR 447 HE1 TYR 447 3.417 3.815 -3.464 144 HH TYR 447 HH TYR 447 3.220 6.385 -1.209 145 H TYR 448 HN TYR 448 -0.593 -0.056 1.942 146 HA TYR 448 HA TYR 448 -0.771 -2.945 1.385 147 HB2 TYR 448 HB2 TYR 448 0.416 -2.230 3.461 148 HB3 TYR 448 HB1 TYR 448 -1.074 -1.493 4.018 149 HD1 TYR 448 HD2 TYR 448 -3.011 -2.958 4.625 150 HD2 TYR 448 HD1 TYR 448 0.813 -4.541 3.654 151 HE1 TYR 448 HE2 TYR 448 -3.612 -5.071 5.734 152 HE2 TYR 448 HE1 TYR 448 0.243 -6.645 4.771 153 HH TYR 448 HH TYR 448 -2.899 -7.473 5.688 154 H ASN 449 HN ASN 449 -2.726 -3.558 0.692 155 HA ASN 449 HA ASN 449 -5.031 -1.822 1.192 156 HB2 ASN 449 HB2 ASN 449 -4.711 -2.804 -1.089 157 HB3 ASN 449 HB1 ASN 449 -4.948 -4.403 -0.391 158 HD21 ASN 449 HD21 ASN 449 -6.486 -1.558 -1.544 159 HD22 ASN 449 HD22 ASN 449 -8.113 -2.070 -1.273 160 H ASN 450 HN ASN 450 -6.697 -2.358 2.486 161 HA ASN 450 HA ASN 450 -5.925 -4.251 4.514 162 HB2 ASN 450 HB2 ASN 450 -8.029 -2.117 4.367 163 HB3 ASN 450 HB1 ASN 450 -7.976 -3.266 5.706 164 HD21 ASN 450 HD21 ASN 450 -6.401 -0.581 4.151 165 HD22 ASN 450 HD22 ASN 450 -5.295 -0.225 5.433 166 H ARG 451 HN ARG 451 -8.859 -3.883 2.407 167 HA ARG 451 HA ARG 451 -9.858 -6.314 3.691 168 HB2 ARG 451 HB2 ARG 451 -11.115 -4.642 1.513 169 HB3 ARG 451 HB1 ARG 451 -11.899 -5.935 2.408 170 HG2 ARG 451 HG2 ARG 451 -11.816 -4.658 4.437 171 HG3 ARG 451 HG1 ARG 451 -10.856 -3.400 3.648 172 HD2 ARG 451 HD2 ARG 451 -13.685 -4.193 2.965 173 HD3 ARG 451 HD1 ARG 451 -13.182 -2.714 3.785 174 HE ARG 451 HE ARG 451 -11.854 -2.335 1.605 175 HH11 ARG 451 HH11 ARG 451 -15.040 -3.797 1.822 176 HH12 ARG 451 HH12 ARG 451 -15.473 -3.383 0.186 177 HH21 ARG 451 HH21 ARG 451 -12.385 -1.833 -0.523 178 HH22 ARG 451 HH22 ARG 451 -13.961 -2.251 -1.149 179 H THR 452 HN THR 452 -7.967 -5.647 0.905 180 HA THR 452 HA THR 452 -8.545 -8.325 -0.081 181 HB THR 452 HB THR 452 -6.735 -7.991 -1.685 182 HG1 THR 452 HG1 THR 452 -5.540 -6.142 -1.711 183 HG21 THR 452 HG21 THR 452 -8.641 -5.656 -1.545 184 HG22 THR 452 HG22 THR 452 -8.972 -7.228 -2.276 185 HG23 THR 452 HG23 THR 452 -7.748 -6.168 -2.976 186 H ASP 453 HN ASP 453 -6.323 -6.565 1.858 187 HA ASP 453 HA ASP 453 -4.611 -7.056 3.216 188 HB2 ASP 453 HB2 ASP 453 -6.119 -8.781 4.137 189 HB3 ASP 453 HB1 ASP 453 -5.502 -9.929 2.964 190 H GLU 454 HN GLU 454 -3.485 -6.315 1.284 191 HA GLU 454 HA GLU 454 -1.453 -8.240 0.502 192 HB2 GLU 454 HB2 GLU 454 -1.700 -7.961 -1.855 193 HB3 GLU 454 HB1 GLU 454 -3.276 -8.408 -1.218 194 HG2 GLU 454 HG2 GLU 454 -3.930 -6.027 -1.276 195 HG3 GLU 454 HG1 GLU 454 -2.377 -5.653 -2.025 196 H SER 455 HN SER 455 0.465 -7.292 -0.256 197 HA SER 455 HA SER 455 0.675 -4.397 0.261 198 HB2 SER 455 HB2 SER 455 3.139 -4.982 0.673 199 HB3 SER 455 HB1 SER 455 1.975 -5.519 1.887 200 HG SER 455 HG SER 455 2.494 -7.277 -0.203 201 H THR 456 HN THR 456 1.332 -3.108 -1.331 202 HA THR 456 HA THR 456 2.643 -4.260 -3.706 203 HB THR 456 HB THR 456 0.444 -2.178 -3.792 204 HG1 THR 456 HG1 THR 456 -0.319 -4.278 -3.154 205 HG21 THR 456 HG21 THR 456 1.912 -2.008 -5.690 206 HG22 THR 456 HG22 THR 456 0.411 -2.766 -6.213 207 HG23 THR 456 HG23 THR 456 1.853 -3.750 -5.952 208 H TRP 457 HN TRP 457 4.261 -2.968 -4.589 209 HA TRP 457 HA TRP 457 5.069 -0.703 -2.946 210 HB2 TRP 457 HB2 TRP 457 6.483 -2.096 -5.221 211 HB3 TRP 457 HB1 TRP 457 7.162 -0.766 -4.289 212 HD1 TRP 457 HD1 TRP 457 6.385 -4.497 -4.064 213 HE1 TRP 457 HE1 TRP 457 7.555 -5.465 -1.985 214 HE3 TRP 457 HE3 TRP 457 7.989 -0.135 -1.924 215 HZ2 TRP 457 HZ2 TRP 457 8.958 -4.509 0.263 216 HZ3 TRP 457 HZ3 TRP 457 9.239 -0.254 0.191 217 HH2 TRP 457 HH2 TRP 457 9.712 -2.397 1.263 218 H GLU 458 HN GLU 458 3.755 -1.309 -6.090 219 HA GLU 458 HA GLU 458 4.184 1.325 -7.127 220 HB2 GLU 458 HB2 GLU 458 3.850 -0.481 -8.681 221 HB3 GLU 458 HB1 GLU 458 2.331 -0.927 -7.923 222 HG2 GLU 458 HG2 GLU 458 1.906 0.179 -10.008 223 HG3 GLU 458 HG1 GLU 458 1.347 1.192 -8.681 224 H LYS 459 HN LYS 459 2.875 3.081 -7.016 225 HA LYS 459 HA LYS 459 1.036 3.265 -4.858 226 HB2 LYS 459 HB2 LYS 459 2.532 5.077 -5.999 227 HB3 LYS 459 HB1 LYS 459 1.183 5.255 -7.106 228 HG2 LYS 459 HG2 LYS 459 -0.244 6.044 -5.413 229 HG3 LYS 459 HG1 LYS 459 0.846 5.497 -4.133 230 HD2 LYS 459 HD2 LYS 459 2.552 7.113 -5.073 231 HD3 LYS 459 HD1 LYS 459 1.255 7.772 -6.068 232 HE2 LYS 459 HE2 LYS 459 0.908 7.540 -3.105 233 HE3 LYS 459 HE1 LYS 459 1.836 8.874 -3.782 234 HZ1 LYS 459 HZ1 LYS 459 -0.070 9.574 -5.033 235 HZ2 LYS 459 HZ2 LYS 459 -0.516 9.417 -3.407 236 HZ3 LYS 459 HZ3 LYS 459 -0.970 8.231 -4.525 237 HA PRO 460 HA PRO 460 -2.363 1.226 -6.936 238 HB2 PRO 460 HB2 PRO 460 -4.227 2.169 -5.083 239 HB3 PRO 460 HB1 PRO 460 -3.309 0.671 -4.950 240 HG2 PRO 460 HG2 PRO 460 -2.786 3.338 -3.717 241 HG3 PRO 460 HG1 PRO 460 -2.553 1.718 -3.033 242 HD2 PRO 460 HD2 PRO 460 -0.484 3.147 -3.902 243 HD3 PRO 460 HD1 PRO 460 -0.556 1.392 -4.174 244 H GLN 461 HN GLN 461 -4.046 1.802 -8.285 245 HA GLN 461 HA GLN 461 -4.015 4.423 -9.328 246 HB2 GLN 461 HB2 GLN 461 -5.951 2.148 -9.748 247 HB3 GLN 461 HB1 GLN 461 -6.030 3.663 -10.634 248 HG2 GLN 461 HG2 GLN 461 -3.692 1.763 -10.631 249 HG3 GLN 461 HG1 GLN 461 -4.907 1.900 -11.902 250 HE21 GLN 461 HE21 GLN 461 -5.080 4.798 -11.667 251 HE22 GLN 461 HE22 GLN 461 -3.640 5.434 -12.388 252 H GLU 462 HN GLU 462 -5.878 2.981 -6.794 253 HA GLU 462 HA GLU 462 -7.895 5.045 -6.793 254 HB2 GLU 462 HB2 GLU 462 -8.570 4.007 -4.601 255 HB3 GLU 462 HB1 GLU 462 -8.609 2.924 -5.980 256 HG2 GLU 462 HG2 GLU 462 -6.156 2.981 -4.323 257 HG3 GLU 462 HG1 GLU 462 -7.594 2.187 -3.683 258 H LEU 463 HN LEU 463 -4.725 4.772 -5.644 259 HA LEU 463 HA LEU 463 -5.167 7.014 -3.782 260 HB2 LEU 463 HB2 LEU 463 -4.483 4.841 -2.721 261 HB3 LEU 463 HB1 LEU 463 -2.979 4.941 -3.614 262 HG LEU 463 HG LEU 463 -2.448 7.054 -2.430 263 HD11 LEU 463 HD11 LEU 463 -4.925 6.411 -0.836 264 HD12 LEU 463 HD12 LEU 463 -4.721 7.777 -1.932 265 HD13 LEU 463 HD13 LEU 463 -3.754 7.675 -0.460 266 HD21 LEU 463 HD21 LEU 463 -1.949 6.014 -0.265 267 HD22 LEU 463 HD22 LEU 463 -1.567 4.943 -1.613 268 HD23 LEU 463 HD23 LEU 463 -3.030 4.680 -0.664 269 H LYS 464 HN LYS 464 -4.099 6.353 -6.749 270 HA LYS 464 HA LYS 464 -1.536 7.562 -6.832 271 HB2 LYS 464 HB2 LYS 464 -3.501 6.565 -8.783 272 HB3 LYS 464 HB1 LYS 464 -2.509 7.893 -9.368 273 HG2 LYS 464 HG2 LYS 464 -1.255 5.515 -8.052 274 HG3 LYS 464 HG1 LYS 464 -1.716 5.471 -9.754 275 HD2 LYS 464 HD2 LYS 464 -0.251 7.264 -10.287 276 HD3 LYS 464 HD1 LYS 464 0.016 7.639 -8.586 277 HE2 LYS 464 HE2 LYS 464 1.912 6.454 -9.687 278 HE3 LYS 464 HE1 LYS 464 1.278 5.639 -8.262 279 HZ1 LYS 464 HZ1 LYS 464 0.680 4.922 -11.085 280 HZ2 LYS 464 HZ2 LYS 464 0.049 4.145 -9.719 281 HZ3 LYS 464 HZ3 LYS 464 1.711 4.074 -10.032 Start of MODEL 9 1 H1 GLY 428 HT1 GLY 428 -13.387 -4.558 -2.221 2 H2 GLY 428 HT2 GLY 428 -14.347 -5.298 -3.409 3 H3 GLY 428 HT3 GLY 428 -13.904 -6.160 -2.016 4 HA2 GLY 428 HA1 GLY 428 -16.180 -5.481 -1.811 5 HA3 GLY 428 HA2 GLY 428 -15.182 -4.629 -0.640 6 H ALA 429 HN ALA 429 -17.641 -3.649 -1.316 7 HA ALA 429 HA ALA 429 -17.811 -1.872 -3.435 8 HB1 ALA 429 HB1 ALA 429 -19.711 -2.499 -2.021 9 HB2 ALA 429 HB2 ALA 429 -19.560 -0.747 -2.177 10 HB3 ALA 429 HB3 ALA 429 -19.033 -1.548 -0.698 11 H THR 430 HN THR 430 -17.261 0.214 -3.786 12 HA THR 430 HA THR 430 -16.023 2.103 -3.714 13 HB THR 430 HB THR 430 -16.151 1.810 -0.705 14 HG1 THR 430 HG1 THR 430 -18.149 2.107 -2.387 15 HG21 THR 430 HG21 THR 430 -15.854 4.235 -0.680 16 HG22 THR 430 HG22 THR 430 -15.753 4.255 -2.441 17 HG23 THR 430 HG23 THR 430 -14.498 3.456 -1.493 18 H ALA 431 HN ALA 431 -14.226 1.068 -4.663 19 HA ALA 431 HA ALA 431 -12.139 0.033 -2.945 20 HB1 ALA 431 HB1 ALA 431 -10.902 -0.347 -5.028 21 HB2 ALA 431 HB2 ALA 431 -12.164 0.491 -5.928 22 HB3 ALA 431 HB3 ALA 431 -12.527 -1.027 -5.106 23 H VAL 432 HN VAL 432 -12.080 2.093 -1.770 24 HA VAL 432 HA VAL 432 -10.075 3.890 -2.822 25 HB VAL 432 HB VAL 432 -12.814 4.864 -1.947 26 HG11 VAL 432 HG11 VAL 432 -11.073 6.253 -0.957 27 HG12 VAL 432 HG12 VAL 432 -11.939 7.131 -2.218 28 HG13 VAL 432 HG13 VAL 432 -10.335 6.474 -2.542 29 HG21 VAL 432 HG21 VAL 432 -11.317 5.243 -4.538 30 HG22 VAL 432 HG22 VAL 432 -12.880 5.953 -4.137 31 HG23 VAL 432 HG23 VAL 432 -12.722 4.204 -4.292 32 H SER 433 HN SER 433 -8.785 4.517 -1.254 33 HA SER 433 HA SER 433 -7.782 4.847 0.715 34 HB2 SER 433 HB2 SER 433 -9.072 5.522 2.693 35 HB3 SER 433 HB1 SER 433 -9.616 6.379 1.256 36 HG SER 433 HG SER 433 -11.078 4.193 1.444 37 H GLU 434 HN GLU 434 -8.629 2.169 -0.250 38 HA GLU 434 HA GLU 434 -8.742 0.648 2.232 39 HB2 GLU 434 HB2 GLU 434 -8.642 -1.336 0.607 40 HB3 GLU 434 HB1 GLU 434 -10.098 -0.356 0.612 41 HG2 GLU 434 HG2 GLU 434 -9.393 0.774 -1.395 42 HG3 GLU 434 HG1 GLU 434 -7.851 -0.080 -1.368 43 H TRP 435 HN TRP 435 -6.422 2.018 0.250 44 HA TRP 435 HA TRP 435 -4.373 0.042 0.980 45 HB2 TRP 435 HB2 TRP 435 -4.331 2.320 -1.005 46 HB3 TRP 435 HB1 TRP 435 -2.938 1.311 -0.632 47 HD1 TRP 435 HD1 TRP 435 -6.348 1.173 -2.374 48 HE1 TRP 435 HE1 TRP 435 -6.386 -0.883 -3.927 49 HE3 TRP 435 HE3 TRP 435 -1.922 -0.969 -0.990 50 HZ2 TRP 435 HZ2 TRP 435 -4.754 -3.102 -4.490 51 HZ3 TRP 435 HZ3 TRP 435 -1.235 -3.068 -2.076 52 HH2 TRP 435 HH2 TRP 435 -2.627 -4.118 -3.788 53 H THR 436 HN THR 436 -3.073 0.449 2.633 54 HA THR 436 HA THR 436 -2.750 3.247 3.501 55 HB THR 436 HB THR 436 -2.120 0.857 5.206 56 HG1 THR 436 HG1 THR 436 -4.625 1.978 4.555 57 HG21 THR 436 HG21 THR 436 -2.958 3.692 5.842 58 HG22 THR 436 HG22 THR 436 -1.325 3.040 5.968 59 HG23 THR 436 HG23 THR 436 -2.596 2.437 7.031 60 H GLU 437 HN GLU 437 -0.695 4.020 3.903 61 HA GLU 437 HA GLU 437 1.439 2.537 2.536 62 HB2 GLU 437 HB2 GLU 437 0.762 4.886 1.851 63 HB3 GLU 437 HB1 GLU 437 1.455 5.419 3.363 64 HG2 GLU 437 HG2 GLU 437 3.625 4.563 2.687 65 HG3 GLU 437 HG1 GLU 437 2.932 4.056 1.145 66 H TYR 438 HN TYR 438 2.940 1.611 3.669 67 HA TYR 438 HA TYR 438 3.571 2.601 6.376 68 HB2 TYR 438 HB2 TYR 438 3.434 -0.279 5.439 69 HB3 TYR 438 HB1 TYR 438 4.069 0.230 6.999 70 HD1 TYR 438 HD1 TYR 438 2.479 1.462 8.578 71 HD2 TYR 438 HD2 TYR 438 1.151 -0.699 5.164 72 HE1 TYR 438 HE1 TYR 438 0.225 1.330 9.546 73 HE2 TYR 438 HE2 TYR 438 -1.112 -0.835 6.121 74 HH TYR 438 HH TYR 438 -2.205 -0.722 8.316 75 H LYS 439 HN LYS 439 5.783 2.415 7.016 76 HA LYS 439 HA LYS 439 7.600 2.192 4.709 77 HB2 LYS 439 HB2 LYS 439 7.623 4.355 5.904 78 HB3 LYS 439 HB1 LYS 439 8.066 3.521 7.389 79 HG2 LYS 439 HG2 LYS 439 10.061 4.436 6.510 80 HG3 LYS 439 HG1 LYS 439 10.123 2.701 6.187 81 HD2 LYS 439 HD2 LYS 439 10.798 3.582 4.137 82 HD3 LYS 439 HD1 LYS 439 9.083 3.332 3.876 83 HE2 LYS 439 HE2 LYS 439 8.707 5.730 4.578 84 HE3 LYS 439 HE1 LYS 439 10.454 5.934 4.601 85 HZ1 LYS 439 HZ1 LYS 439 8.864 5.139 2.219 86 HZ2 LYS 439 HZ2 LYS 439 10.534 5.396 2.257 87 HZ3 LYS 439 HZ3 LYS 439 9.474 6.689 2.518 88 H THR 440 HN THR 440 9.191 0.723 4.653 89 HA THR 440 HA THR 440 9.481 -1.162 6.849 90 HB THR 440 HB THR 440 11.242 -2.159 5.233 91 HG1 THR 440 HG1 THR 440 11.571 -1.031 3.487 92 HG21 THR 440 HG21 THR 440 9.001 -3.121 5.605 93 HG22 THR 440 HG22 THR 440 9.550 -3.316 3.941 94 HG23 THR 440 HG23 THR 440 8.363 -2.075 4.337 95 H ALA 441 HN ALA 441 11.507 -1.578 7.850 96 HA ALA 441 HA ALA 441 12.762 0.776 8.746 97 HB1 ALA 441 HB1 ALA 441 12.499 -1.217 10.123 98 HB2 ALA 441 HB2 ALA 441 14.182 -0.690 10.060 99 HB3 ALA 441 HB3 ALA 441 13.653 -2.076 9.106 100 H ASP 442 HN ASP 442 13.286 -0.606 5.805 101 HA ASP 442 HA ASP 442 16.164 -0.027 5.813 102 HB2 ASP 442 HB2 ASP 442 16.378 -1.280 3.835 103 HB3 ASP 442 HB1 ASP 442 15.219 -2.192 4.794 104 H GLY 443 HN GLY 443 13.403 1.628 5.431 105 HA2 GLY 443 HA2 GLY 443 13.287 3.889 4.811 106 HA3 GLY 443 HA1 GLY 443 14.748 3.686 3.856 107 H LYS 444 HN LYS 444 11.523 2.190 3.888 108 HA LYS 444 HA LYS 444 11.092 2.996 1.104 109 HB2 LYS 444 HB2 LYS 444 11.461 0.293 2.148 110 HB3 LYS 444 HB1 LYS 444 10.217 0.603 0.980 111 HG2 LYS 444 HG2 LYS 444 11.890 1.459 -0.595 112 HG3 LYS 444 HG1 LYS 444 13.141 1.212 0.624 113 HD2 LYS 444 HD2 LYS 444 12.550 -1.219 0.611 114 HD3 LYS 444 HD1 LYS 444 11.500 -0.894 -0.770 115 HE2 LYS 444 HE2 LYS 444 13.707 -1.733 -1.448 116 HE3 LYS 444 HE1 LYS 444 13.394 -0.109 -2.059 117 HZ1 LYS 444 HZ1 LYS 444 14.838 0.833 -0.495 118 HZ2 LYS 444 HZ2 LYS 444 15.665 -0.542 -1.052 119 HZ3 LYS 444 HZ3 LYS 444 14.884 -0.572 0.457 120 H THR 445 HN THR 445 8.994 3.445 0.687 121 HA THR 445 HA THR 445 6.995 2.698 2.683 122 HB THR 445 HB THR 445 5.692 4.205 0.756 123 HG1 THR 445 HG1 THR 445 7.197 5.297 -0.253 124 HG21 THR 445 HG21 THR 445 7.079 5.146 3.266 125 HG22 THR 445 HG22 THR 445 5.471 4.434 3.183 126 HG23 THR 445 HG23 THR 445 5.784 5.999 2.429 127 H TYR 446 HN TYR 446 5.014 1.661 2.096 128 HA TYR 446 HA TYR 446 4.866 0.412 -0.517 129 HB2 TYR 446 HB2 TYR 446 4.834 -1.887 0.291 130 HB3 TYR 446 HB1 TYR 446 6.370 -1.129 0.676 131 HD1 TYR 446 HD1 TYR 446 6.967 -0.639 3.004 132 HD2 TYR 446 HD2 TYR 446 3.302 -2.579 2.037 133 HE1 TYR 446 HE1 TYR 446 6.732 -1.352 5.345 134 HE2 TYR 446 HE2 TYR 446 3.060 -3.290 4.378 135 HH TYR 446 HH TYR 446 4.896 -2.006 6.890 136 H TYR 447 HN TYR 447 2.836 -0.599 -0.898 137 HA TYR 447 HA TYR 447 0.798 0.706 0.754 138 HB2 TYR 447 HB2 TYR 447 0.700 -0.106 -2.158 139 HB3 TYR 447 HB1 TYR 447 -0.577 0.750 -1.280 140 HD1 TYR 447 HD2 TYR 447 0.008 2.990 -0.234 141 HD2 TYR 447 HD1 TYR 447 2.461 1.108 -3.155 142 HE1 TYR 447 HE2 TYR 447 1.142 5.121 -0.651 143 HE2 TYR 447 HE1 TYR 447 3.603 3.248 -3.576 144 HH TYR 447 HH TYR 447 3.212 5.950 -1.497 145 H TYR 448 HN TYR 448 -0.458 -0.449 1.905 146 HA TYR 448 HA TYR 448 -0.728 -3.332 1.352 147 HB2 TYR 448 HB2 TYR 448 0.506 -2.617 3.415 148 HB3 TYR 448 HB1 TYR 448 -0.975 -1.884 3.998 149 HD1 TYR 448 HD2 TYR 448 -2.936 -3.398 4.536 150 HD2 TYR 448 HD1 TYR 448 0.948 -4.899 3.670 151 HE1 TYR 448 HE2 TYR 448 -3.521 -5.529 5.619 152 HE2 TYR 448 HE1 TYR 448 0.376 -7.023 4.753 153 HH TYR 448 HH TYR 448 -2.821 -7.859 5.658 154 H ASN 449 HN ASN 449 -2.694 -3.889 0.682 155 HA ASN 449 HA ASN 449 -4.956 -2.119 1.210 156 HB2 ASN 449 HB2 ASN 449 -4.616 -3.096 -1.074 157 HB3 ASN 449 HB1 ASN 449 -4.916 -4.683 -0.389 158 HD21 ASN 449 HD21 ASN 449 -6.354 -3.065 -2.412 159 HD22 ASN 449 HD22 ASN 449 -7.988 -2.990 -1.880 160 H ASN 450 HN ASN 450 -6.444 -2.510 2.676 161 HA ASN 450 HA ASN 450 -5.797 -4.557 4.586 162 HB2 ASN 450 HB2 ASN 450 -7.890 -2.380 4.626 163 HB3 ASN 450 HB1 ASN 450 -7.585 -3.483 5.963 164 HD21 ASN 450 HD21 ASN 450 -6.406 -0.765 4.156 165 HD22 ASN 450 HD22 ASN 450 -5.138 -0.327 5.252 166 H ARG 451 HN ARG 451 -8.559 -3.954 2.362 167 HA ARG 451 HA ARG 451 -9.958 -6.176 3.656 168 HB2 ARG 451 HB2 ARG 451 -10.836 -4.503 1.298 169 HB3 ARG 451 HB1 ARG 451 -11.835 -5.621 2.211 170 HG2 ARG 451 HG2 ARG 451 -11.679 -4.206 4.169 171 HG3 ARG 451 HG1 ARG 451 -10.598 -3.106 3.308 172 HD2 ARG 451 HD2 ARG 451 -13.466 -3.722 2.601 173 HD3 ARG 451 HD1 ARG 451 -12.866 -2.228 3.321 174 HE ARG 451 HE ARG 451 -11.470 -2.650 0.944 175 HH11 ARG 451 HH11 ARG 451 -14.769 -2.002 1.934 176 HH12 ARG 451 HH12 ARG 451 -15.158 -1.134 0.478 177 HH21 ARG 451 HH21 ARG 451 -11.967 -1.540 -0.963 178 HH22 ARG 451 HH22 ARG 451 -13.564 -0.846 -1.154 179 H THR 452 HN THR 452 -7.782 -5.806 1.087 180 HA THR 452 HA THR 452 -8.461 -8.434 0.039 181 HB THR 452 HB THR 452 -6.329 -8.203 -1.241 182 HG1 THR 452 HG1 THR 452 -5.332 -6.115 -1.197 183 HG21 THR 452 HG21 THR 452 -8.446 -7.500 -2.236 184 HG22 THR 452 HG22 THR 452 -7.131 -6.445 -2.753 185 HG23 THR 452 HG23 THR 452 -8.265 -5.900 -1.516 186 H ASP 453 HN ASP 453 -6.081 -6.787 1.949 187 HA ASP 453 HA ASP 453 -4.657 -7.383 3.593 188 HB2 ASP 453 HB2 ASP 453 -6.294 -9.186 4.238 189 HB3 ASP 453 HB1 ASP 453 -5.398 -10.277 3.194 190 H GLU 454 HN GLU 454 -4.056 -7.039 0.847 191 HA GLU 454 HA GLU 454 -1.554 -8.582 0.828 192 HB2 GLU 454 HB2 GLU 454 -1.642 -8.430 -1.735 193 HB3 GLU 454 HB1 GLU 454 -2.611 -9.649 -0.936 194 HG2 GLU 454 HG2 GLU 454 -4.044 -8.849 -2.523 195 HG3 GLU 454 HG1 GLU 454 -4.509 -7.912 -1.106 196 H SER 455 HN SER 455 0.271 -7.558 0.096 197 HA SER 455 HA SER 455 0.036 -4.628 -0.038 198 HB2 SER 455 HB2 SER 455 2.381 -4.683 0.975 199 HB3 SER 455 HB1 SER 455 1.062 -5.171 2.039 200 HG SER 455 HG SER 455 1.588 -7.368 1.507 201 H THR 456 HN THR 456 0.998 -3.594 -1.668 202 HA THR 456 HA THR 456 2.952 -5.059 -3.288 203 HB THR 456 HB THR 456 0.737 -5.112 -4.450 204 HG1 THR 456 HG1 THR 456 2.352 -5.242 -5.879 205 HG21 THR 456 HG21 THR 456 -0.112 -3.043 -5.461 206 HG22 THR 456 HG22 THR 456 1.115 -2.118 -4.594 207 HG23 THR 456 HG23 THR 456 -0.150 -2.961 -3.699 208 H TRP 457 HN TRP 457 4.491 -3.736 -4.326 209 HA TRP 457 HA TRP 457 4.975 -1.251 -2.916 210 HB2 TRP 457 HB2 TRP 457 6.654 -2.727 -4.962 211 HB3 TRP 457 HB1 TRP 457 7.176 -1.320 -4.038 212 HD1 TRP 457 HD1 TRP 457 6.308 -5.040 -3.574 213 HE1 TRP 457 HE1 TRP 457 7.378 -5.871 -1.380 214 HE3 TRP 457 HE3 TRP 457 8.075 -0.578 -1.811 215 HZ2 TRP 457 HZ2 TRP 457 8.797 -4.769 0.797 216 HZ3 TRP 457 HZ3 TRP 457 9.275 -0.552 0.339 217 HH2 TRP 457 HH2 TRP 457 9.625 -2.606 1.614 218 H GLU 458 HN GLU 458 3.293 -2.138 -5.588 219 HA GLU 458 HA GLU 458 3.896 0.151 -7.249 220 HB2 GLU 458 HB2 GLU 458 3.223 -1.953 -8.298 221 HB3 GLU 458 HB1 GLU 458 1.705 -1.933 -7.410 222 HG2 GLU 458 HG2 GLU 458 0.907 -0.079 -8.642 223 HG3 GLU 458 HG1 GLU 458 2.496 0.225 -9.346 224 H LYS 459 HN LYS 459 2.724 2.024 -7.363 225 HA LYS 459 HA LYS 459 1.196 2.661 -5.017 226 HB2 LYS 459 HB2 LYS 459 2.870 4.162 -6.246 227 HB3 LYS 459 HB1 LYS 459 1.586 4.436 -7.414 228 HG2 LYS 459 HG2 LYS 459 0.163 5.343 -5.667 229 HG3 LYS 459 HG1 LYS 459 1.416 5.025 -4.467 230 HD2 LYS 459 HD2 LYS 459 2.927 6.514 -5.861 231 HD3 LYS 459 HD1 LYS 459 1.472 6.995 -6.740 232 HE2 LYS 459 HE2 LYS 459 0.460 7.625 -4.548 233 HE3 LYS 459 HE1 LYS 459 2.029 7.328 -3.801 234 HZ1 LYS 459 HZ1 LYS 459 1.788 9.644 -4.257 235 HZ2 LYS 459 HZ2 LYS 459 1.408 9.357 -5.881 236 HZ3 LYS 459 HZ3 LYS 459 2.967 9.024 -5.296 237 HA PRO 460 HA PRO 460 -2.706 1.560 -6.866 238 HB2 PRO 460 HB2 PRO 460 -4.277 2.452 -4.844 239 HB3 PRO 460 HB1 PRO 460 -3.352 0.953 -4.744 240 HG2 PRO 460 HG2 PRO 460 -2.679 3.661 -3.654 241 HG3 PRO 460 HG1 PRO 460 -2.544 2.076 -2.868 242 HD2 PRO 460 HD2 PRO 460 -0.417 3.321 -3.956 243 HD3 PRO 460 HD1 PRO 460 -0.590 1.554 -3.977 244 H GLN 461 HN GLN 461 -4.406 2.582 -7.886 245 HA GLN 461 HA GLN 461 -3.910 5.092 -8.976 246 HB2 GLN 461 HB2 GLN 461 -5.313 3.270 -9.953 247 HB3 GLN 461 HB1 GLN 461 -6.579 3.688 -8.814 248 HG2 GLN 461 HG2 GLN 461 -7.124 4.685 -10.890 249 HG3 GLN 461 HG1 GLN 461 -6.613 5.973 -9.801 250 HE21 GLN 461 HE21 GLN 461 -5.792 4.090 -12.594 251 HE22 GLN 461 HE22 GLN 461 -4.517 5.115 -13.161 252 H GLU 462 HN GLU 462 -5.654 4.232 -6.093 253 HA GLU 462 HA GLU 462 -7.211 6.611 -5.911 254 HB2 GLU 462 HB2 GLU 462 -7.678 5.873 -3.606 255 HB3 GLU 462 HB1 GLU 462 -7.925 4.588 -4.782 256 HG2 GLU 462 HG2 GLU 462 -5.855 3.549 -4.179 257 HG3 GLU 462 HG1 GLU 462 -5.428 4.901 -3.134 258 H LEU 463 HN LEU 463 -3.927 5.912 -5.166 259 HA LEU 463 HA LEU 463 -3.810 8.303 -3.443 260 HB2 LEU 463 HB2 LEU 463 -3.318 5.803 -2.595 261 HB3 LEU 463 HB1 LEU 463 -1.722 6.215 -3.189 262 HG LEU 463 HG LEU 463 -1.760 8.235 -1.708 263 HD11 LEU 463 HD11 LEU 463 -3.415 8.270 0.111 264 HD12 LEU 463 HD12 LEU 463 -4.266 6.927 -0.653 265 HD13 LEU 463 HD13 LEU 463 -4.158 8.482 -1.475 266 HD21 LEU 463 HD21 LEU 463 -2.104 5.560 -0.352 267 HD22 LEU 463 HD22 LEU 463 -1.327 6.981 0.347 268 HD23 LEU 463 HD23 LEU 463 -0.615 6.186 -1.055 269 H LYS 464 HN LYS 464 -3.147 7.360 -6.427 270 HA LYS 464 HA LYS 464 -0.413 7.610 -6.860 271 HB2 LYS 464 HB2 LYS 464 -2.027 6.729 -8.515 272 HB3 LYS 464 HB1 LYS 464 -2.633 8.360 -8.763 273 HG2 LYS 464 HG2 LYS 464 -0.431 9.062 -9.558 274 HG3 LYS 464 HG1 LYS 464 0.168 7.421 -9.322 275 HD2 LYS 464 HD2 LYS 464 -1.472 6.603 -10.958 276 HD3 LYS 464 HD1 LYS 464 -2.034 8.261 -11.205 277 HE2 LYS 464 HE2 LYS 464 0.770 7.267 -11.703 278 HE3 LYS 464 HE1 LYS 464 -0.450 7.547 -12.944 279 HZ1 LYS 464 HZ1 LYS 464 1.210 9.377 -12.601 280 HZ2 LYS 464 HZ2 LYS 464 0.470 9.684 -11.105 281 HZ3 LYS 464 HZ3 LYS 464 -0.419 9.849 -12.543 Start of MODEL 10 1 H1 GLY 428 HT1 GLY 428 -14.691 6.429 -9.088 2 H2 GLY 428 HT2 GLY 428 -13.333 7.141 -9.815 3 H3 GLY 428 HT3 GLY 428 -14.854 7.273 -10.547 4 HA2 GLY 428 HA1 GLY 428 -14.214 9.334 -9.441 5 HA3 GLY 428 HA2 GLY 428 -15.666 8.626 -8.743 6 H ALA 429 HN ALA 429 -13.960 10.467 -7.446 7 HA ALA 429 HA ALA 429 -13.212 10.851 -5.350 8 HB1 ALA 429 HB1 ALA 429 -13.432 9.187 -3.600 9 HB2 ALA 429 HB2 ALA 429 -13.740 7.935 -4.805 10 HB3 ALA 429 HB3 ALA 429 -14.893 9.252 -4.585 11 H THR 430 HN THR 430 -11.303 10.851 -4.207 12 HA THR 430 HA THR 430 -9.161 9.156 -5.321 13 HB THR 430 HB THR 430 -8.854 11.884 -4.047 14 HG1 THR 430 HG1 THR 430 -9.953 11.745 -6.191 15 HG21 THR 430 HG21 THR 430 -6.594 11.803 -4.990 16 HG22 THR 430 HG22 THR 430 -6.908 10.184 -5.615 17 HG23 THR 430 HG23 THR 430 -6.863 10.463 -3.874 18 H ALA 431 HN ALA 431 -8.686 7.591 -3.949 19 HA ALA 431 HA ALA 431 -7.965 6.481 -2.123 20 HB1 ALA 431 HB1 ALA 431 -6.444 8.392 -1.840 21 HB2 ALA 431 HB2 ALA 431 -6.919 7.664 -0.304 22 HB3 ALA 431 HB3 ALA 431 -7.654 9.181 -0.828 23 H VAL 432 HN VAL 432 -9.391 5.251 -1.132 24 HA VAL 432 HA VAL 432 -11.433 6.585 0.498 25 HB VAL 432 HB VAL 432 -12.835 4.520 0.218 26 HG11 VAL 432 HG11 VAL 432 -13.254 6.503 -1.134 27 HG12 VAL 432 HG12 VAL 432 -13.562 5.035 -2.061 28 HG13 VAL 432 HG13 VAL 432 -12.078 5.950 -2.327 29 HG21 VAL 432 HG21 VAL 432 -10.740 3.824 -1.844 30 HG22 VAL 432 HG22 VAL 432 -12.280 2.990 -1.624 31 HG23 VAL 432 HG23 VAL 432 -11.066 2.948 -0.347 32 H SER 433 HN SER 433 -9.020 6.231 1.333 33 HA SER 433 HA SER 433 -7.657 5.452 2.993 34 HB2 SER 433 HB2 SER 433 -9.726 6.495 4.115 35 HB3 SER 433 HB1 SER 433 -10.208 4.837 4.469 36 HG SER 433 HG SER 433 -8.473 4.585 5.773 37 H GLU 434 HN GLU 434 -8.571 3.386 1.059 38 HA GLU 434 HA GLU 434 -8.906 1.003 2.691 39 HB2 GLU 434 HB2 GLU 434 -10.147 1.406 0.525 40 HB3 GLU 434 HB1 GLU 434 -8.622 1.165 -0.310 41 HG2 GLU 434 HG2 GLU 434 -9.994 -0.838 -0.322 42 HG3 GLU 434 HG1 GLU 434 -8.476 -1.093 0.532 43 H TRP 435 HN TRP 435 -6.436 2.724 1.076 44 HA TRP 435 HA TRP 435 -4.522 0.526 1.479 45 HB2 TRP 435 HB2 TRP 435 -4.361 3.014 -0.234 46 HB3 TRP 435 HB1 TRP 435 -3.021 1.901 0.013 47 HD1 TRP 435 HD1 TRP 435 -6.448 2.108 -1.694 48 HE1 TRP 435 HE1 TRP 435 -6.560 0.300 -3.516 49 HE3 TRP 435 HE3 TRP 435 -2.081 -0.323 -0.662 50 HZ2 TRP 435 HZ2 TRP 435 -4.988 -1.885 -4.398 51 HZ3 TRP 435 HZ3 TRP 435 -1.467 -2.267 -2.030 52 HH2 TRP 435 HH2 TRP 435 -2.886 -3.032 -3.864 53 H THR 436 HN THR 436 -2.944 0.745 2.958 54 HA THR 436 HA THR 436 -2.405 3.438 4.036 55 HB THR 436 HB THR 436 -2.061 0.943 5.684 56 HG1 THR 436 HG1 THR 436 -4.412 2.296 5.021 57 HG21 THR 436 HG21 THR 436 -0.963 2.983 6.460 58 HG22 THR 436 HG22 THR 436 -2.284 2.541 7.544 59 HG23 THR 436 HG23 THR 436 -2.496 3.851 6.382 60 H GLU 437 HN GLU 437 -0.213 3.904 4.453 61 HA GLU 437 HA GLU 437 1.617 2.002 3.153 62 HB2 GLU 437 HB2 GLU 437 2.970 3.860 2.447 63 HB3 GLU 437 HB1 GLU 437 1.309 4.154 1.962 64 HG2 GLU 437 HG2 GLU 437 2.539 5.337 4.411 65 HG3 GLU 437 HG1 GLU 437 2.580 6.123 2.847 66 H TYR 438 HN TYR 438 3.271 1.224 4.228 67 HA TYR 438 HA TYR 438 4.067 2.481 6.771 68 HB2 TYR 438 HB2 TYR 438 3.803 -0.486 6.195 69 HB3 TYR 438 HB1 TYR 438 4.478 0.196 7.672 70 HD1 TYR 438 HD1 TYR 438 3.017 1.367 9.279 71 HD2 TYR 438 HD2 TYR 438 1.431 -0.551 5.826 72 HE1 TYR 438 HE1 TYR 438 0.769 1.455 10.269 73 HE2 TYR 438 HE2 TYR 438 -0.821 -0.470 6.809 74 HH TYR 438 HH TYR 438 -1.515 1.371 9.653 75 H LYS 439 HN LYS 439 6.288 2.516 7.191 76 HA LYS 439 HA LYS 439 7.928 2.037 4.820 77 HB2 LYS 439 HB2 LYS 439 7.961 4.257 6.035 78 HB3 LYS 439 HB1 LYS 439 8.733 3.429 7.378 79 HG2 LYS 439 HG2 LYS 439 10.538 4.334 6.276 80 HG3 LYS 439 HG1 LYS 439 10.482 2.707 5.600 81 HD2 LYS 439 HD2 LYS 439 10.850 4.232 3.783 82 HD3 LYS 439 HD1 LYS 439 9.214 3.617 3.633 83 HE2 LYS 439 HE2 LYS 439 8.402 5.675 4.840 84 HE3 LYS 439 HE1 LYS 439 10.049 6.299 4.785 85 HZ1 LYS 439 HZ1 LYS 439 8.369 5.635 2.425 86 HZ2 LYS 439 HZ2 LYS 439 9.954 6.238 2.370 87 HZ3 LYS 439 HZ3 LYS 439 8.703 7.192 3.004 88 H THR 440 HN THR 440 9.674 0.748 4.784 89 HA THR 440 HA THR 440 9.855 -1.338 6.789 90 HB THR 440 HB THR 440 11.520 -2.309 5.147 91 HG1 THR 440 HG1 THR 440 12.071 -1.169 3.445 92 HG21 THR 440 HG21 THR 440 9.811 -2.970 3.516 93 HG22 THR 440 HG22 THR 440 8.758 -1.679 4.097 94 HG23 THR 440 HG23 THR 440 9.181 -3.018 5.164 95 H ALA 441 HN ALA 441 11.803 -1.883 7.842 96 HA ALA 441 HA ALA 441 13.226 0.150 9.019 97 HB1 ALA 441 HB1 ALA 441 14.802 -1.535 9.770 98 HB2 ALA 441 HB2 ALA 441 14.201 -2.660 8.550 99 HB3 ALA 441 HB3 ALA 441 13.146 -2.135 9.864 100 H ASP 442 HN ASP 442 13.853 -1.256 5.870 101 HA ASP 442 HA ASP 442 16.523 -0.168 5.696 102 HB2 ASP 442 HB2 ASP 442 16.635 -1.052 3.507 103 HB3 ASP 442 HB1 ASP 442 15.703 -2.224 4.430 104 H GLY 443 HN GLY 443 13.491 1.147 5.548 105 HA2 GLY 443 HA2 GLY 443 13.086 3.439 5.380 106 HA3 GLY 443 HA1 GLY 443 14.595 3.626 4.510 107 H LYS 444 HN LYS 444 11.734 1.558 3.788 108 HA LYS 444 HA LYS 444 10.983 3.499 1.713 109 HB2 LYS 444 HB2 LYS 444 10.956 0.601 1.207 110 HB3 LYS 444 HB1 LYS 444 10.543 1.900 0.129 111 HG2 LYS 444 HG2 LYS 444 12.963 2.593 0.205 112 HG3 LYS 444 HG1 LYS 444 13.278 1.072 1.050 113 HD2 LYS 444 HD2 LYS 444 12.106 -0.073 -0.898 114 HD3 LYS 444 HD1 LYS 444 12.231 1.468 -1.744 115 HE2 LYS 444 HE2 LYS 444 14.086 0.186 -2.433 116 HE3 LYS 444 HE1 LYS 444 14.707 1.378 -1.291 117 HZ1 LYS 444 HZ1 LYS 444 14.077 -1.457 -0.657 118 HZ2 LYS 444 HZ2 LYS 444 14.688 -0.312 0.438 119 HZ3 LYS 444 HZ3 LYS 444 15.630 -0.814 -0.881 120 H THR 445 HN THR 445 8.805 3.432 1.089 121 HA THR 445 HA THR 445 7.073 2.153 3.066 122 HB THR 445 HB THR 445 5.475 3.722 1.439 123 HG1 THR 445 HG1 THR 445 6.798 5.134 0.559 124 HG21 THR 445 HG21 THR 445 5.432 5.255 3.385 125 HG22 THR 445 HG22 THR 445 6.812 4.388 4.061 126 HG23 THR 445 HG23 THR 445 5.270 3.559 3.845 127 H TYR 446 HN TYR 446 5.411 0.845 2.551 128 HA TYR 446 HA TYR 446 5.007 0.143 -0.271 129 HB2 TYR 446 HB2 TYR 446 4.746 -2.207 0.297 130 HB3 TYR 446 HB1 TYR 446 6.324 -1.658 0.833 131 HD1 TYR 446 HD1 TYR 446 6.847 -1.490 3.206 132 HD2 TYR 446 HD2 TYR 446 3.030 -2.854 1.904 133 HE1 TYR 446 HE1 TYR 446 6.399 -2.375 5.456 134 HE2 TYR 446 HE2 TYR 446 2.572 -3.736 4.153 135 HH TYR 446 HH TYR 446 3.797 -4.483 6.118 136 H TYR 447 HN TYR 447 2.850 -0.440 -0.789 137 HA TYR 447 HA TYR 447 0.978 0.792 1.098 138 HB2 TYR 447 HB2 TYR 447 0.743 0.321 -1.880 139 HB3 TYR 447 HB1 TYR 447 -0.490 1.083 -0.879 140 HD1 TYR 447 HD2 TYR 447 0.459 3.099 0.609 141 HD2 TYR 447 HD1 TYR 447 2.177 1.731 -3.037 142 HE1 TYR 447 HE2 TYR 447 1.557 5.279 0.319 143 HE2 TYR 447 HE1 TYR 447 3.282 3.907 -3.339 144 HH TYR 447 HH TYR 447 3.415 6.265 -0.835 145 H TYR 448 HN TYR 448 -0.423 -0.363 2.144 146 HA TYR 448 HA TYR 448 -0.914 -3.135 1.305 147 HB2 TYR 448 HB2 TYR 448 0.136 -3.096 3.452 148 HB3 TYR 448 HB1 TYR 448 -0.912 -1.800 4.013 149 HD1 TYR 448 HD1 TYR 448 -1.062 -5.342 2.846 150 HD2 TYR 448 HD2 TYR 448 -2.757 -2.315 5.308 151 HE1 TYR 448 HE1 TYR 448 -2.598 -6.999 3.814 152 HE2 TYR 448 HE2 TYR 448 -4.298 -3.961 6.283 153 HH TYR 448 HH TYR 448 -4.025 -7.393 5.580 154 H ASN 449 HN ASN 449 -2.880 -3.566 0.535 155 HA ASN 449 HA ASN 449 -5.128 -1.801 1.192 156 HB2 ASN 449 HB2 ASN 449 -4.790 -2.530 -1.180 157 HB3 ASN 449 HB1 ASN 449 -5.069 -4.190 -0.666 158 HD21 ASN 449 HD21 ASN 449 -6.511 -1.132 -1.355 159 HD22 ASN 449 HD22 ASN 449 -8.156 -1.639 -1.229 160 H ASN 450 HN ASN 450 -6.846 -2.477 2.421 161 HA ASN 450 HA ASN 450 -6.084 -4.500 4.303 162 HB2 ASN 450 HB2 ASN 450 -8.453 -2.636 4.172 163 HB3 ASN 450 HB1 ASN 450 -8.222 -3.810 5.466 164 HD21 ASN 450 HD21 ASN 450 -7.069 -0.864 4.024 165 HD22 ASN 450 HD22 ASN 450 -6.055 -0.392 5.342 166 H ARG 451 HN ARG 451 -8.945 -4.192 2.110 167 HA ARG 451 HA ARG 451 -9.790 -6.790 3.134 168 HB2 ARG 451 HB2 ARG 451 -11.077 -4.964 1.106 169 HB3 ARG 451 HB1 ARG 451 -11.801 -6.429 1.757 170 HG2 ARG 451 HG2 ARG 451 -11.918 -5.484 3.943 171 HG3 ARG 451 HG1 ARG 451 -10.966 -4.086 3.430 172 HD2 ARG 451 HD2 ARG 451 -13.632 -4.799 2.239 173 HD3 ARG 451 HD1 ARG 451 -13.449 -3.704 3.611 174 HE ARG 451 HE ARG 451 -11.969 -2.367 2.051 175 HH11 ARG 451 HH11 ARG 451 -14.579 -4.381 0.868 176 HH12 ARG 451 HH12 ARG 451 -14.861 -3.396 -0.544 177 HH21 ARG 451 HH21 ARG 451 -12.299 -1.106 0.189 178 HH22 ARG 451 HH22 ARG 451 -13.562 -1.542 -0.927 179 H THR 452 HN THR 452 -7.861 -5.744 0.521 180 HA THR 452 HA THR 452 -8.142 -8.371 -0.692 181 HB THR 452 HB THR 452 -6.284 -7.731 -2.151 182 HG1 THR 452 HG1 THR 452 -5.460 -5.586 -1.981 183 HG21 THR 452 HG21 THR 452 -8.536 -7.127 -2.824 184 HG22 THR 452 HG22 THR 452 -7.415 -5.851 -3.304 185 HG23 THR 452 HG23 THR 452 -8.445 -5.637 -1.883 186 H ASP 453 HN ASP 453 -6.285 -6.654 1.628 187 HA ASP 453 HA ASP 453 -4.677 -7.173 3.120 188 HB2 ASP 453 HB2 ASP 453 -6.113 -9.113 3.631 189 HB3 ASP 453 HB1 ASP 453 -5.308 -10.031 2.379 190 H GLU 454 HN GLU 454 -4.097 -6.599 0.379 191 HA GLU 454 HA GLU 454 -1.724 -8.249 -0.167 192 HB2 GLU 454 HB2 GLU 454 -1.827 -7.521 -2.416 193 HB3 GLU 454 HB1 GLU 454 -3.491 -7.853 -1.959 194 HG2 GLU 454 HG2 GLU 454 -3.753 -5.402 -1.508 195 HG3 GLU 454 HG1 GLU 454 -2.161 -5.173 -2.232 196 H SER 455 HN SER 455 0.307 -7.381 -0.210 197 HA SER 455 HA SER 455 0.547 -4.507 0.386 198 HB2 SER 455 HB2 SER 455 2.530 -6.680 1.118 199 HB3 SER 455 HB1 SER 455 2.592 -4.983 1.602 200 HG SER 455 HG SER 455 0.233 -5.881 2.334 201 H THR 456 HN THR 456 1.306 -3.397 -1.303 202 HA THR 456 HA THR 456 3.162 -4.754 -3.131 203 HB THR 456 HB THR 456 0.864 -4.768 -4.103 204 HG1 THR 456 HG1 THR 456 1.785 -4.535 -5.997 205 HG21 THR 456 HG21 THR 456 0.105 -2.623 -3.135 206 HG22 THR 456 HG22 THR 456 -0.138 -2.703 -4.878 207 HG23 THR 456 HG23 THR 456 1.205 -1.770 -4.213 208 H TRP 457 HN TRP 457 4.606 -3.428 -4.226 209 HA TRP 457 HA TRP 457 5.176 -0.915 -2.872 210 HB2 TRP 457 HB2 TRP 457 6.757 -2.391 -4.995 211 HB3 TRP 457 HB1 TRP 457 7.324 -1.014 -4.053 212 HD1 TRP 457 HD1 TRP 457 6.590 -4.755 -3.747 213 HE1 TRP 457 HE1 TRP 457 7.696 -5.654 -1.602 214 HE3 TRP 457 HE3 TRP 457 8.114 -0.321 -1.730 215 HZ2 TRP 457 HZ2 TRP 457 9.041 -4.598 0.649 216 HZ3 TRP 457 HZ3 TRP 457 9.297 -0.345 0.424 217 HH2 TRP 457 HH2 TRP 457 9.750 -2.441 1.587 218 H GLU 458 HN GLU 458 3.286 -1.818 -5.354 219 HA GLU 458 HA GLU 458 3.858 0.396 -7.147 220 HB2 GLU 458 HB2 GLU 458 3.133 -1.789 -8.061 221 HB3 GLU 458 HB1 GLU 458 1.616 -1.645 -7.186 222 HG2 GLU 458 HG2 GLU 458 1.393 -1.090 -9.563 223 HG3 GLU 458 HG1 GLU 458 0.983 0.268 -8.515 224 H LYS 459 HN LYS 459 2.245 2.027 -7.624 225 HA LYS 459 HA LYS 459 1.126 3.035 -5.154 226 HB2 LYS 459 HB2 LYS 459 2.382 4.335 -7.030 227 HB3 LYS 459 HB1 LYS 459 0.817 4.351 -7.832 228 HG2 LYS 459 HG2 LYS 459 -0.157 5.446 -5.849 229 HG3 LYS 459 HG1 LYS 459 1.452 5.502 -5.127 230 HD2 LYS 459 HD2 LYS 459 2.190 6.753 -7.200 231 HD3 LYS 459 HD1 LYS 459 0.478 6.899 -7.604 232 HE2 LYS 459 HE2 LYS 459 0.125 7.958 -5.368 233 HE3 LYS 459 HE1 LYS 459 1.875 7.964 -5.155 234 HZ1 LYS 459 HZ1 LYS 459 1.334 10.071 -5.977 235 HZ2 LYS 459 HZ2 LYS 459 0.261 9.460 -7.138 236 HZ3 LYS 459 HZ3 LYS 459 1.932 9.241 -7.327 237 HA PRO 460 HA PRO 460 -2.952 1.284 -5.726 238 HB2 PRO 460 HB2 PRO 460 -4.141 3.312 -4.174 239 HB3 PRO 460 HB1 PRO 460 -3.603 1.730 -3.608 240 HG2 PRO 460 HG2 PRO 460 -2.251 4.366 -3.436 241 HG3 PRO 460 HG1 PRO 460 -2.176 2.984 -2.327 242 HD2 PRO 460 HD2 PRO 460 -0.148 3.597 -3.976 243 HD3 PRO 460 HD1 PRO 460 -0.553 1.913 -3.574 244 H GLN 461 HN GLN 461 -4.635 1.672 -7.071 245 HA GLN 461 HA GLN 461 -4.374 3.826 -8.917 246 HB2 GLN 461 HB2 GLN 461 -6.545 1.751 -8.613 247 HB3 GLN 461 HB1 GLN 461 -6.405 2.864 -9.967 248 HG2 GLN 461 HG2 GLN 461 -4.390 0.762 -9.195 249 HG3 GLN 461 HG1 GLN 461 -5.538 0.664 -10.530 250 HE21 GLN 461 HE21 GLN 461 -2.601 2.111 -9.368 251 HE22 GLN 461 HE22 GLN 461 -2.101 2.785 -10.877 252 H GLU 462 HN GLU 462 -5.703 3.793 -5.884 253 HA GLU 462 HA GLU 462 -7.655 5.873 -6.571 254 HB2 GLU 462 HB2 GLU 462 -8.443 5.658 -4.245 255 HB3 GLU 462 HB1 GLU 462 -8.513 4.129 -5.107 256 HG2 GLU 462 HG2 GLU 462 -6.448 3.416 -4.008 257 HG3 GLU 462 HG1 GLU 462 -6.386 4.951 -3.141 258 H LEU 463 HN LEU 463 -4.472 5.600 -5.829 259 HA LEU 463 HA LEU 463 -4.400 8.174 -4.383 260 HB2 LEU 463 HB2 LEU 463 -3.673 6.108 -3.105 261 HB3 LEU 463 HB1 LEU 463 -2.339 5.969 -4.230 262 HG LEU 463 HG LEU 463 -1.570 8.235 -3.491 263 HD11 LEU 463 HD11 LEU 463 -2.464 9.120 -1.394 264 HD12 LEU 463 HD12 LEU 463 -3.690 7.851 -1.381 265 HD13 LEU 463 HD13 LEU 463 -3.698 9.075 -2.653 266 HD21 LEU 463 HD21 LEU 463 -1.800 6.132 -1.340 267 HD22 LEU 463 HD22 LEU 463 -0.636 7.456 -1.366 268 HD23 LEU 463 HD23 LEU 463 -0.565 6.195 -2.599 269 H LYS 464 HN LYS 464 -4.356 7.453 -7.286 270 HA LYS 464 HA LYS 464 -1.855 7.479 -8.471 271 HB2 LYS 464 HB2 LYS 464 -4.175 8.973 -9.664 272 HB3 LYS 464 HB1 LYS 464 -2.928 8.047 -10.484 273 HG2 LYS 464 HG2 LYS 464 -3.870 5.981 -9.674 274 HG3 LYS 464 HG1 LYS 464 -5.072 6.867 -8.735 275 HD2 LYS 464 HD2 LYS 464 -4.819 6.737 -11.739 276 HD3 LYS 464 HD1 LYS 464 -6.115 6.074 -10.743 277 HE2 LYS 464 HE2 LYS 464 -5.461 8.990 -11.163 278 HE3 LYS 464 HE1 LYS 464 -6.854 8.121 -11.803 279 HZ1 LYS 464 HZ1 LYS 464 -7.555 7.745 -9.468 280 HZ2 LYS 464 HZ2 LYS 464 -7.529 9.378 -9.911 281 HZ3 LYS 464 HZ3 LYS 464 -6.287 8.744 -8.954 Start of MODEL 11 1 H1 GLY 428 HT1 GLY 428 -11.952 7.023 -7.014 2 H2 GLY 428 HT2 GLY 428 -10.651 6.869 -5.932 3 H3 GLY 428 HT3 GLY 428 -12.220 7.114 -5.346 4 HA2 GLY 428 HA1 GLY 428 -11.469 4.730 -6.931 5 HA3 GLY 428 HA2 GLY 428 -11.355 4.781 -5.175 6 H ALA 429 HN ALA 429 -13.127 3.322 -7.229 7 HA ALA 429 HA ALA 429 -15.774 4.185 -6.377 8 HB1 ALA 429 HB1 ALA 429 -15.442 3.427 -8.682 9 HB2 ALA 429 HB2 ALA 429 -16.599 2.406 -7.827 10 HB3 ALA 429 HB3 ALA 429 -14.949 1.840 -8.090 11 H THR 430 HN THR 430 -16.388 3.663 -4.411 12 HA THR 430 HA THR 430 -16.759 2.611 -2.461 13 HB THR 430 HB THR 430 -17.845 0.974 -4.184 14 HG1 THR 430 HG1 THR 430 -18.459 -0.342 -2.380 15 HG21 THR 430 HG21 THR 430 -17.030 -1.334 -3.999 16 HG22 THR 430 HG22 THR 430 -15.637 -0.771 -3.076 17 HG23 THR 430 HG23 THR 430 -15.827 -0.295 -4.763 18 H ALA 431 HN ALA 431 -13.883 2.739 -3.695 19 HA ALA 431 HA ALA 431 -12.619 1.373 -1.435 20 HB1 ALA 431 HB1 ALA 431 -10.822 0.540 -2.870 21 HB2 ALA 431 HB2 ALA 431 -11.635 1.209 -4.287 22 HB3 ALA 431 HB3 ALA 431 -12.382 -0.104 -3.378 23 H VAL 432 HN VAL 432 -12.029 3.143 -0.341 24 HA VAL 432 HA VAL 432 -10.100 4.945 -1.567 25 HB VAL 432 HB VAL 432 -12.528 5.947 -0.046 26 HG11 VAL 432 HG11 VAL 432 -11.626 8.186 -0.460 27 HG12 VAL 432 HG12 VAL 432 -10.189 7.470 -1.189 28 HG13 VAL 432 HG13 VAL 432 -10.531 7.216 0.523 29 HG21 VAL 432 HG21 VAL 432 -13.074 7.147 -2.119 30 HG22 VAL 432 HG22 VAL 432 -13.081 5.400 -2.350 31 HG23 VAL 432 HG23 VAL 432 -11.717 6.359 -2.925 32 H SER 433 HN SER 433 -8.423 5.123 -0.272 33 HA SER 433 HA SER 433 -7.098 5.206 1.582 34 HB2 SER 433 HB2 SER 433 -9.674 5.170 3.177 35 HB3 SER 433 HB1 SER 433 -8.068 5.521 3.815 36 HG SER 433 HG SER 433 -8.820 7.035 1.630 37 H GLU 434 HN GLU 434 -8.218 2.792 0.277 38 HA GLU 434 HA GLU 434 -8.539 0.732 2.224 39 HB2 GLU 434 HB2 GLU 434 -7.849 0.673 -0.715 40 HB3 GLU 434 HB1 GLU 434 -8.120 -0.773 0.244 41 HG2 GLU 434 HG2 GLU 434 -10.173 1.392 -0.001 42 HG3 GLU 434 HG1 GLU 434 -10.053 0.060 -1.148 43 H TRP 435 HN TRP 435 -5.843 2.266 0.745 44 HA TRP 435 HA TRP 435 -4.037 0.089 1.506 45 HB2 TRP 435 HB2 TRP 435 -3.455 2.468 -0.266 46 HB3 TRP 435 HB1 TRP 435 -2.455 1.035 -0.056 47 HD1 TRP 435 HD1 TRP 435 -5.840 2.079 -1.601 48 HE1 TRP 435 HE1 TRP 435 -6.402 0.443 -3.497 49 HE3 TRP 435 HE3 TRP 435 -1.984 -1.220 -0.999 50 HZ2 TRP 435 HZ2 TRP 435 -5.355 -1.921 -4.598 51 HZ3 TRP 435 HZ3 TRP 435 -1.839 -3.148 -2.517 52 HH2 TRP 435 HH2 TRP 435 -3.496 -3.493 -4.281 53 H THR 436 HN THR 436 -3.129 0.306 3.412 54 HA THR 436 HA THR 436 -2.641 2.947 4.540 55 HB THR 436 HB THR 436 -1.962 0.301 5.813 56 HG1 THR 436 HG1 THR 436 -4.470 1.631 5.604 57 HG21 THR 436 HG21 THR 436 -2.323 1.538 7.893 58 HG22 THR 436 HG22 THR 436 -2.730 2.985 6.968 59 HG23 THR 436 HG23 THR 436 -1.097 2.323 6.897 60 H GLU 437 HN GLU 437 -0.558 3.663 5.124 61 HA GLU 437 HA GLU 437 1.520 2.562 3.394 62 HB2 GLU 437 HB2 GLU 437 1.281 5.219 4.801 63 HB3 GLU 437 HB1 GLU 437 2.702 4.723 3.892 64 HG2 GLU 437 HG2 GLU 437 1.300 4.469 1.896 65 HG3 GLU 437 HG1 GLU 437 -0.076 5.085 2.813 66 H TYR 438 HN TYR 438 3.138 1.451 4.145 67 HA TYR 438 HA TYR 438 4.036 1.887 6.919 68 HB2 TYR 438 HB2 TYR 438 3.936 -0.792 5.519 69 HB3 TYR 438 HB1 TYR 438 4.538 -0.495 7.141 70 HD1 TYR 438 HD1 TYR 438 2.863 0.401 8.872 71 HD2 TYR 438 HD2 TYR 438 1.693 -1.355 5.177 72 HE1 TYR 438 HE1 TYR 438 0.626 -0.043 9.795 73 HE2 TYR 438 HE2 TYR 438 -0.542 -1.799 6.090 74 HH TYR 438 HH TYR 438 -1.650 -0.442 9.008 75 H LYS 439 HN LYS 439 6.137 2.369 7.030 76 HA LYS 439 HA LYS 439 7.761 1.985 4.611 77 HB2 LYS 439 HB2 LYS 439 7.578 4.297 5.567 78 HB3 LYS 439 HB1 LYS 439 8.376 3.716 7.020 79 HG2 LYS 439 HG2 LYS 439 10.115 4.688 5.866 80 HG3 LYS 439 HG1 LYS 439 10.272 2.995 5.402 81 HD2 LYS 439 HD2 LYS 439 10.548 4.245 3.395 82 HD3 LYS 439 HD1 LYS 439 8.938 3.556 3.302 83 HE2 LYS 439 HE2 LYS 439 8.019 5.720 4.187 84 HE3 LYS 439 HE1 LYS 439 9.643 6.391 4.125 85 HZ1 LYS 439 HZ1 LYS 439 9.679 6.053 1.745 86 HZ2 LYS 439 HZ2 LYS 439 8.317 6.976 2.172 87 HZ3 LYS 439 HZ3 LYS 439 8.143 5.337 1.786 88 H THR 440 HN THR 440 9.648 0.901 4.658 89 HA THR 440 HA THR 440 9.978 -1.027 6.797 90 HB THR 440 HB THR 440 11.718 -1.972 5.219 91 HG1 THR 440 HG1 THR 440 12.155 -0.947 3.407 92 HG21 THR 440 HG21 THR 440 9.431 -2.849 5.288 93 HG22 THR 440 HG22 THR 440 10.078 -2.886 3.648 94 HG23 THR 440 HG23 THR 440 8.926 -1.634 4.113 95 H ALA 441 HN ALA 441 11.975 -1.367 7.863 96 HA ALA 441 HA ALA 441 13.228 0.833 8.929 97 HB1 ALA 441 HB1 ALA 441 13.323 -1.417 9.888 98 HB2 ALA 441 HB2 ALA 441 14.923 -0.686 9.769 99 HB3 ALA 441 HB3 ALA 441 14.425 -1.913 8.603 100 H ASP 442 HN ASP 442 14.009 -0.812 5.922 101 HA ASP 442 HA ASP 442 16.547 0.526 5.598 102 HB2 ASP 442 HB2 ASP 442 16.708 -0.567 3.489 103 HB3 ASP 442 HB1 ASP 442 15.965 -1.725 4.586 104 H GLY 443 HN GLY 443 13.413 1.530 5.359 105 HA2 GLY 443 HA2 GLY 443 12.821 3.759 5.010 106 HA3 GLY 443 HA1 GLY 443 14.290 3.986 4.083 107 H LYS 444 HN LYS 444 11.545 1.679 3.642 108 HA LYS 444 HA LYS 444 10.659 3.343 1.388 109 HB2 LYS 444 HB2 LYS 444 10.799 0.414 1.141 110 HB3 LYS 444 HB1 LYS 444 10.355 1.604 -0.049 111 HG2 LYS 444 HG2 LYS 444 12.726 2.415 0.005 112 HG3 LYS 444 HG1 LYS 444 13.098 1.017 1.016 113 HD2 LYS 444 HD2 LYS 444 11.707 -0.077 -1.100 114 HD3 LYS 444 HD1 LYS 444 12.683 1.179 -1.862 115 HE2 LYS 444 HE2 LYS 444 13.609 -1.165 -0.218 116 HE3 LYS 444 HE1 LYS 444 13.986 -0.798 -1.901 117 HZ1 LYS 444 HZ1 LYS 444 14.986 0.523 0.545 118 HZ2 LYS 444 HZ2 LYS 444 15.080 1.284 -0.974 119 HZ3 LYS 444 HZ3 LYS 444 15.878 -0.190 -0.712 120 H THR 445 HN THR 445 8.506 3.208 0.866 121 HA THR 445 HA THR 445 6.837 1.932 2.896 122 HB THR 445 HB THR 445 5.143 3.342 1.235 123 HG1 THR 445 HG1 THR 445 6.560 4.570 0.160 124 HG21 THR 445 HG21 THR 445 5.118 5.015 3.090 125 HG22 THR 445 HG22 THR 445 6.503 4.180 3.798 126 HG23 THR 445 HG23 THR 445 4.962 3.347 3.630 127 H TYR 446 HN TYR 446 5.256 0.526 2.484 128 HA TYR 446 HA TYR 446 4.717 -0.218 -0.298 129 HB2 TYR 446 HB2 TYR 446 4.365 -2.568 0.443 130 HB3 TYR 446 HB1 TYR 446 6.035 -2.039 0.585 131 HD1 TYR 446 HD1 TYR 446 7.019 -1.648 2.814 132 HD2 TYR 446 HD2 TYR 446 3.081 -3.200 2.378 133 HE1 TYR 446 HE1 TYR 446 7.069 -2.408 5.152 134 HE2 TYR 446 HE2 TYR 446 3.116 -3.960 4.718 135 HH TYR 446 HH TYR 446 5.448 -2.958 6.955 136 H TYR 447 HN TYR 447 2.586 -0.450 -0.790 137 HA TYR 447 HA TYR 447 0.799 0.675 1.219 138 HB2 TYR 447 HB2 TYR 447 0.358 0.236 -1.743 139 HB3 TYR 447 HB1 TYR 447 -0.693 1.143 -0.657 140 HD1 TYR 447 HD2 TYR 447 0.274 3.214 0.478 141 HD2 TYR 447 HD1 TYR 447 2.153 1.308 -2.829 142 HE1 TYR 447 HE2 TYR 447 1.570 5.254 0.044 143 HE2 TYR 447 HE1 TYR 447 3.452 3.347 -3.270 144 HH TYR 447 HH TYR 447 3.569 5.965 -1.041 145 H TYR 448 HN TYR 448 -0.289 -0.683 2.430 146 HA TYR 448 HA TYR 448 -0.948 -3.338 1.378 147 HB2 TYR 448 HB2 TYR 448 0.202 -3.556 3.412 148 HB3 TYR 448 HB1 TYR 448 -0.647 -2.205 4.144 149 HD1 TYR 448 HD1 TYR 448 -1.287 -5.640 2.819 150 HD2 TYR 448 HD2 TYR 448 -2.381 -2.630 5.620 151 HE1 TYR 448 HE1 TYR 448 -2.867 -7.199 3.875 152 HE2 TYR 448 HE2 TYR 448 -3.958 -4.182 6.685 153 HH TYR 448 HH TYR 448 -4.135 -7.570 5.735 154 H ASN 449 HN ASN 449 -2.952 -3.700 0.671 155 HA ASN 449 HA ASN 449 -5.103 -1.893 1.469 156 HB2 ASN 449 HB2 ASN 449 -4.897 -2.538 -0.921 157 HB3 ASN 449 HB1 ASN 449 -5.158 -4.210 -0.477 158 HD21 ASN 449 HD21 ASN 449 -6.691 -2.100 -2.098 159 HD22 ASN 449 HD22 ASN 449 -8.310 -2.251 -1.522 160 H ASN 450 HN ASN 450 -6.653 -2.411 2.839 161 HA ASN 450 HA ASN 450 -6.040 -4.535 4.632 162 HB2 ASN 450 HB2 ASN 450 -8.178 -2.409 4.595 163 HB3 ASN 450 HB1 ASN 450 -8.100 -3.638 5.856 164 HD21 ASN 450 HD21 ASN 450 -6.542 -0.837 4.477 165 HD22 ASN 450 HD22 ASN 450 -5.460 -0.549 5.799 166 H ARG 451 HN ARG 451 -8.912 -3.981 2.479 167 HA ARG 451 HA ARG 451 -9.962 -6.488 3.563 168 HB2 ARG 451 HB2 ARG 451 -11.184 -4.715 1.453 169 HB3 ARG 451 HB1 ARG 451 -11.985 -5.995 2.350 170 HG2 ARG 451 HG2 ARG 451 -11.861 -4.722 4.382 171 HG3 ARG 451 HG1 ARG 451 -10.886 -3.480 3.586 172 HD2 ARG 451 HD2 ARG 451 -13.752 -4.212 2.989 173 HD3 ARG 451 HD1 ARG 451 -13.163 -2.709 3.704 174 HE ARG 451 HE ARG 451 -11.963 -2.386 1.499 175 HH11 ARG 451 HH11 ARG 451 -14.971 -4.184 1.749 176 HH12 ARG 451 HH12 ARG 451 -15.403 -3.920 0.085 177 HH21 ARG 451 HH21 ARG 451 -12.507 -2.077 -0.668 178 HH22 ARG 451 HH22 ARG 451 -13.998 -2.731 -1.297 179 H THR 452 HN THR 452 -8.009 -5.607 0.923 180 HA THR 452 HA THR 452 -8.563 -8.158 -0.366 181 HB THR 452 HB THR 452 -6.620 -7.647 -1.809 182 HG1 THR 452 HG1 THR 452 -5.568 -5.692 -1.592 183 HG21 THR 452 HG21 THR 452 -8.857 -6.913 -2.478 184 HG22 THR 452 HG22 THR 452 -7.623 -5.774 -3.018 185 HG23 THR 452 HG23 THR 452 -8.620 -5.393 -1.612 186 H ASP 453 HN ASP 453 -6.402 -6.600 1.814 187 HA ASP 453 HA ASP 453 -4.800 -7.263 3.240 188 HB2 ASP 453 HB2 ASP 453 -6.368 -9.072 3.843 189 HB3 ASP 453 HB1 ASP 453 -5.698 -10.063 2.568 190 H GLU 454 HN GLU 454 -4.305 -6.683 0.501 191 HA GLU 454 HA GLU 454 -1.948 -8.400 -0.001 192 HB2 GLU 454 HB2 GLU 454 -2.184 -8.087 -2.351 193 HB3 GLU 454 HB1 GLU 454 -3.771 -8.539 -1.746 194 HG2 GLU 454 HG2 GLU 454 -4.491 -6.229 -1.838 195 HG3 GLU 454 HG1 GLU 454 -2.885 -5.731 -2.365 196 H SER 455 HN SER 455 -0.017 -7.393 -0.557 197 HA SER 455 HA SER 455 0.056 -4.510 0.013 198 HB2 SER 455 HB2 SER 455 2.262 -6.563 0.313 199 HB3 SER 455 HB1 SER 455 2.366 -4.857 0.750 200 HG SER 455 HG SER 455 0.516 -6.715 1.866 201 H THR 456 HN THR 456 0.371 -3.266 -1.667 202 HA THR 456 HA THR 456 1.930 -4.273 -3.957 203 HB THR 456 HB THR 456 -0.200 -2.121 -3.820 204 HG1 THR 456 HG1 THR 456 -0.340 -4.739 -4.211 205 HG21 THR 456 HG21 THR 456 1.452 -3.008 -6.190 206 HG22 THR 456 HG22 THR 456 1.526 -1.433 -5.397 207 HG23 THR 456 HG23 THR 456 0.066 -1.920 -6.258 208 H TRP 457 HN TRP 457 3.758 -3.197 -4.547 209 HA TRP 457 HA TRP 457 4.674 -1.088 -2.755 210 HB2 TRP 457 HB2 TRP 457 6.133 -2.562 -4.961 211 HB3 TRP 457 HB1 TRP 457 6.862 -1.398 -3.858 212 HD1 TRP 457 HD1 TRP 457 5.266 -4.912 -3.824 213 HE1 TRP 457 HE1 TRP 457 6.185 -6.196 -1.791 214 HE3 TRP 457 HE3 TRP 457 7.976 -1.159 -1.648 215 HZ2 TRP 457 HZ2 TRP 457 7.842 -5.685 0.436 216 HZ3 TRP 457 HZ3 TRP 457 9.195 -1.640 0.431 217 HH2 TRP 457 HH2 TRP 457 9.130 -3.860 1.450 218 H GLU 458 HN GLU 458 3.529 -1.565 -5.964 219 HA GLU 458 HA GLU 458 4.313 0.960 -7.037 220 HB2 GLU 458 HB2 GLU 458 3.710 -0.972 -8.450 221 HB3 GLU 458 HB1 GLU 458 2.071 -0.921 -7.820 222 HG2 GLU 458 HG2 GLU 458 2.172 0.056 -10.027 223 HG3 GLU 458 HG1 GLU 458 1.747 1.277 -8.828 224 H LYS 459 HN LYS 459 2.924 2.792 -7.390 225 HA LYS 459 HA LYS 459 1.403 3.522 -5.120 226 HB2 LYS 459 HB2 LYS 459 2.636 5.018 -6.844 227 HB3 LYS 459 HB1 LYS 459 1.160 4.887 -7.787 228 HG2 LYS 459 HG2 LYS 459 0.942 6.884 -6.593 229 HG3 LYS 459 HG1 LYS 459 -0.046 5.725 -5.702 230 HD2 LYS 459 HD2 LYS 459 1.843 5.366 -4.153 231 HD3 LYS 459 HD1 LYS 459 2.758 6.602 -5.016 232 HE2 LYS 459 HE2 LYS 459 0.145 7.013 -3.571 233 HE3 LYS 459 HE1 LYS 459 1.735 7.484 -2.980 234 HZ1 LYS 459 HZ1 LYS 459 0.714 9.397 -3.882 235 HZ2 LYS 459 HZ2 LYS 459 0.269 8.598 -5.306 236 HZ3 LYS 459 HZ3 LYS 459 1.903 8.931 -5.002 237 HA PRO 460 HA PRO 460 -2.385 1.344 -6.120 238 HB2 PRO 460 HB2 PRO 460 -3.458 3.311 -4.169 239 HB3 PRO 460 HB1 PRO 460 -3.608 1.555 -4.186 240 HG2 PRO 460 HG2 PRO 460 -1.971 2.751 -2.468 241 HG3 PRO 460 HG1 PRO 460 -1.506 1.231 -3.261 242 HD2 PRO 460 HD2 PRO 460 -0.620 4.023 -3.847 243 HD3 PRO 460 HD1 PRO 460 0.310 2.514 -3.870 244 H GLN 461 HN GLN 461 -4.167 1.757 -7.387 245 HA GLN 461 HA GLN 461 -4.011 4.085 -8.992 246 HB2 GLN 461 HB2 GLN 461 -6.152 1.966 -8.845 247 HB3 GLN 461 HB1 GLN 461 -6.055 3.207 -10.089 248 HG2 GLN 461 HG2 GLN 461 -4.051 1.024 -9.554 249 HG3 GLN 461 HG1 GLN 461 -5.147 1.148 -10.929 250 HE21 GLN 461 HE21 GLN 461 -2.215 2.320 -9.479 251 HE22 GLN 461 HE22 GLN 461 -1.648 3.190 -10.860 252 H GLU 462 HN GLU 462 -5.486 3.653 -5.988 253 HA GLU 462 HA GLU 462 -7.400 5.810 -6.484 254 HB2 GLU 462 HB2 GLU 462 -8.320 5.324 -4.295 255 HB3 GLU 462 HB1 GLU 462 -8.178 3.829 -5.212 256 HG2 GLU 462 HG2 GLU 462 -6.649 2.951 -3.808 257 HG3 GLU 462 HG1 GLU 462 -5.874 4.508 -3.508 258 H LEU 463 HN LEU 463 -4.242 5.349 -5.422 259 HA LEU 463 HA LEU 463 -4.303 7.839 -3.842 260 HB2 LEU 463 HB2 LEU 463 -3.874 5.740 -2.536 261 HB3 LEU 463 HB1 LEU 463 -2.416 5.513 -3.477 262 HG LEU 463 HG LEU 463 -1.528 7.642 -2.583 263 HD11 LEU 463 HD11 LEU 463 -2.637 8.689 -0.675 264 HD12 LEU 463 HD12 LEU 463 -4.006 7.592 -0.869 265 HD13 LEU 463 HD13 LEU 463 -3.631 8.769 -2.130 266 HD21 LEU 463 HD21 LEU 463 -2.386 5.630 -0.508 267 HD22 LEU 463 HD22 LEU 463 -1.090 6.813 -0.319 268 HD23 LEU 463 HD23 LEU 463 -0.948 5.531 -1.524 269 H LYS 464 HN LYS 464 -3.413 6.655 -6.717 270 HA LYS 464 HA LYS 464 -0.713 7.219 -7.036 271 HB2 LYS 464 HB2 LYS 464 -1.327 7.515 -9.492 272 HB3 LYS 464 HB1 LYS 464 -1.734 5.977 -8.744 273 HG2 LYS 464 HG2 LYS 464 -4.044 6.681 -8.502 274 HG3 LYS 464 HG1 LYS 464 -3.650 8.257 -9.195 275 HD2 LYS 464 HD2 LYS 464 -2.980 7.141 -11.285 276 HD3 LYS 464 HD1 LYS 464 -3.429 5.585 -10.585 277 HE2 LYS 464 HE2 LYS 464 -5.204 6.412 -12.019 278 HE3 LYS 464 HE1 LYS 464 -5.738 6.373 -10.339 279 HZ1 LYS 464 HZ1 LYS 464 -5.330 8.746 -10.183 280 HZ2 LYS 464 HZ2 LYS 464 -6.409 8.413 -11.451 281 HZ3 LYS 464 HZ3 LYS 464 -4.789 8.784 -11.791 Start of MODEL 12 1 H1 GLY 428 HT1 GLY 428 -9.661 4.284 -6.517 2 H2 GLY 428 HT2 GLY 428 -10.585 4.103 -5.105 3 H3 GLY 428 HT3 GLY 428 -10.676 5.537 -6.002 4 HA2 GLY 428 HA1 GLY 428 -11.677 4.387 -7.849 5 HA3 GLY 428 HA2 GLY 428 -11.552 2.872 -6.962 6 H ALA 429 HN ALA 429 -13.968 3.146 -7.620 7 HA ALA 429 HA ALA 429 -15.462 4.699 -5.664 8 HB1 ALA 429 HB1 ALA 429 -16.427 2.793 -7.801 9 HB2 ALA 429 HB2 ALA 429 -16.315 4.546 -7.958 10 HB3 ALA 429 HB3 ALA 429 -17.447 3.834 -6.807 11 H THR 430 HN THR 430 -16.815 3.735 -4.103 12 HA THR 430 HA THR 430 -17.236 2.380 -2.355 13 HB THR 430 HB THR 430 -17.774 0.043 -2.806 14 HG1 THR 430 HG1 THR 430 -16.827 -0.987 -4.369 15 HG21 THR 430 HG21 THR 430 -19.466 0.389 -4.543 16 HG22 THR 430 HG22 THR 430 -18.664 1.883 -5.026 17 HG23 THR 430 HG23 THR 430 -19.399 1.754 -3.428 18 H ALA 431 HN ALA 431 -14.330 2.832 -3.235 19 HA ALA 431 HA ALA 431 -13.150 1.279 -1.122 20 HB1 ALA 431 HB1 ALA 431 -12.188 0.883 -3.959 21 HB2 ALA 431 HB2 ALA 431 -13.033 -0.316 -2.979 22 HB3 ALA 431 HB3 ALA 431 -11.425 0.236 -2.505 23 H VAL 432 HN VAL 432 -12.319 2.981 -0.100 24 HA VAL 432 HA VAL 432 -10.285 4.581 -1.396 25 HB VAL 432 HB VAL 432 -12.713 5.804 -0.047 26 HG11 VAL 432 HG11 VAL 432 -11.590 7.971 -0.298 27 HG12 VAL 432 HG12 VAL 432 -10.138 7.149 -0.868 28 HG13 VAL 432 HG13 VAL 432 -10.702 6.899 0.784 29 HG21 VAL 432 HG21 VAL 432 -12.922 7.075 -2.137 30 HG22 VAL 432 HG22 VAL 432 -13.014 5.336 -2.421 31 HG23 VAL 432 HG23 VAL 432 -11.528 6.213 -2.795 32 H SER 433 HN SER 433 -8.653 4.871 -0.077 33 HA SER 433 HA SER 433 -7.378 5.124 1.804 34 HB2 SER 433 HB2 SER 433 -9.923 4.768 3.412 35 HB3 SER 433 HB1 SER 433 -8.368 5.331 4.026 36 HG SER 433 HG SER 433 -10.327 6.764 2.967 37 H GLU 434 HN GLU 434 -8.360 2.673 0.447 38 HA GLU 434 HA GLU 434 -8.448 0.523 2.302 39 HB2 GLU 434 HB2 GLU 434 -7.708 0.563 -0.631 40 HB3 GLU 434 HB1 GLU 434 -8.031 -0.887 0.306 41 HG2 GLU 434 HG2 GLU 434 -10.002 1.325 -0.194 42 HG3 GLU 434 HG1 GLU 434 -9.932 -0.201 -1.077 43 H TRP 435 HN TRP 435 -5.904 2.354 0.881 44 HA TRP 435 HA TRP 435 -3.916 0.306 1.555 45 HB2 TRP 435 HB2 TRP 435 -3.625 2.754 -0.199 46 HB3 TRP 435 HB1 TRP 435 -2.422 1.489 0.031 47 HD1 TRP 435 HD1 TRP 435 -5.730 2.190 -1.758 48 HE1 TRP 435 HE1 TRP 435 -6.121 0.359 -3.522 49 HE3 TRP 435 HE3 TRP 435 -1.885 -0.951 -0.534 50 HZ2 TRP 435 HZ2 TRP 435 -4.950 -2.084 -4.295 51 HZ3 TRP 435 HZ3 TRP 435 -1.592 -3.018 -1.835 52 HH2 TRP 435 HH2 TRP 435 -3.094 -3.580 -3.670 53 H THR 436 HN THR 436 -2.778 0.561 3.322 54 HA THR 436 HA THR 436 -2.457 3.254 4.465 55 HB THR 436 HB THR 436 -1.881 0.638 5.852 56 HG1 THR 436 HG1 THR 436 -4.265 1.657 5.075 57 HG21 THR 436 HG21 THR 436 -0.963 2.653 6.898 58 HG22 THR 436 HG22 THR 436 -2.252 1.960 7.881 59 HG23 THR 436 HG23 THR 436 -2.565 3.389 6.895 60 H GLU 437 HN GLU 437 -0.361 3.939 5.131 61 HA GLU 437 HA GLU 437 1.773 2.626 3.609 62 HB2 GLU 437 HB2 GLU 437 1.537 5.435 4.679 63 HB3 GLU 437 HB1 GLU 437 3.021 4.785 3.993 64 HG2 GLU 437 HG2 GLU 437 1.711 4.286 1.918 65 HG3 GLU 437 HG1 GLU 437 0.407 5.257 2.608 66 H TYR 438 HN TYR 438 3.153 1.429 4.614 67 HA TYR 438 HA TYR 438 3.990 2.172 7.348 68 HB2 TYR 438 HB2 TYR 438 3.878 -0.628 6.207 69 HB3 TYR 438 HB1 TYR 438 4.402 -0.187 7.823 70 HD1 TYR 438 HD1 TYR 438 2.643 0.945 9.348 71 HD2 TYR 438 HD2 TYR 438 1.670 -1.224 5.819 72 HE1 TYR 438 HE1 TYR 438 0.359 0.604 10.192 73 HE2 TYR 438 HE2 TYR 438 -0.616 -1.568 6.651 74 HH TYR 438 HH TYR 438 -1.757 -1.649 8.894 75 H LYS 439 HN LYS 439 6.142 2.560 7.533 76 HA LYS 439 HA LYS 439 7.747 2.199 5.128 77 HB2 LYS 439 HB2 LYS 439 7.702 4.374 6.417 78 HB3 LYS 439 HB1 LYS 439 8.582 3.548 7.695 79 HG2 LYS 439 HG2 LYS 439 10.306 4.537 6.559 80 HG3 LYS 439 HG1 LYS 439 10.252 2.965 5.764 81 HD2 LYS 439 HD2 LYS 439 10.452 4.583 4.026 82 HD3 LYS 439 HD1 LYS 439 8.790 4.020 3.977 83 HE2 LYS 439 HE2 LYS 439 8.093 5.993 5.296 84 HE3 LYS 439 HE1 LYS 439 9.759 6.557 5.324 85 HZ1 LYS 439 HZ1 LYS 439 8.336 7.619 3.618 86 HZ2 LYS 439 HZ2 LYS 439 8.224 6.127 2.821 87 HZ3 LYS 439 HZ3 LYS 439 9.730 6.886 2.990 88 H THR 440 HN THR 440 9.075 0.609 4.848 89 HA THR 440 HA THR 440 9.802 -1.154 7.034 90 HB THR 440 HB THR 440 11.038 -2.296 4.981 91 HG1 THR 440 HG1 THR 440 10.678 -1.020 3.289 92 HG21 THR 440 HG21 THR 440 9.218 -3.305 6.261 93 HG22 THR 440 HG22 THR 440 9.002 -3.583 4.531 94 HG23 THR 440 HG23 THR 440 8.043 -2.354 5.354 95 H ALA 441 HN ALA 441 11.968 -1.699 7.508 96 HA ALA 441 HA ALA 441 13.644 0.379 8.078 97 HB1 ALA 441 HB1 ALA 441 15.353 -1.260 8.553 98 HB2 ALA 441 HB2 ALA 441 14.500 -2.463 7.585 99 HB3 ALA 441 HB3 ALA 441 13.774 -1.852 9.072 100 H ASP 442 HN ASP 442 13.302 -0.983 4.934 101 HA ASP 442 HA ASP 442 15.931 -0.208 4.019 102 HB2 ASP 442 HB2 ASP 442 15.262 -0.974 1.866 103 HB3 ASP 442 HB1 ASP 442 14.594 -2.111 3.031 104 H GLY 443 HN GLY 443 13.181 1.428 4.808 105 HA2 GLY 443 HA2 GLY 443 13.145 3.751 4.962 106 HA3 GLY 443 HA1 GLY 443 14.342 3.851 3.685 107 H LYS 444 HN LYS 444 11.325 2.025 3.486 108 HA LYS 444 HA LYS 444 10.052 4.188 1.981 109 HB2 LYS 444 HB2 LYS 444 10.104 1.490 0.829 110 HB3 LYS 444 HB1 LYS 444 9.630 2.993 0.086 111 HG2 LYS 444 HG2 LYS 444 11.900 3.685 -0.138 112 HG3 LYS 444 HG1 LYS 444 12.462 2.331 0.847 113 HD2 LYS 444 HD2 LYS 444 11.477 0.814 -0.924 114 HD3 LYS 444 HD1 LYS 444 11.301 2.256 -1.928 115 HE2 LYS 444 HE2 LYS 444 13.378 1.037 -2.417 116 HE3 LYS 444 HE1 LYS 444 13.686 2.664 -1.811 117 HZ1 LYS 444 HZ1 LYS 444 13.710 0.266 -0.063 118 HZ2 LYS 444 HZ2 LYS 444 14.300 1.816 0.288 119 HZ3 LYS 444 HZ3 LYS 444 15.101 0.846 -0.846 120 H THR 445 HN THR 445 7.777 3.827 1.582 121 HA THR 445 HA THR 445 6.591 2.051 3.566 122 HB THR 445 HB THR 445 4.448 3.210 2.978 123 HG1 THR 445 HG1 THR 445 4.520 5.032 1.681 124 HG21 THR 445 HG21 THR 445 5.775 3.899 4.914 125 HG22 THR 445 HG22 THR 445 4.987 5.284 4.158 126 HG23 THR 445 HG23 THR 445 6.705 4.993 3.889 127 H TYR 446 HN TYR 446 5.460 0.304 3.117 128 HA TYR 446 HA TYR 446 4.914 -0.325 0.310 129 HB2 TYR 446 HB2 TYR 446 4.469 -2.623 1.080 130 HB3 TYR 446 HB1 TYR 446 6.077 -2.090 1.538 131 HD1 TYR 446 HD1 TYR 446 6.655 -1.749 3.883 132 HD2 TYR 446 HD2 TYR 446 2.759 -3.024 2.754 133 HE1 TYR 446 HE1 TYR 446 6.197 -2.405 6.210 134 HE2 TYR 446 HE2 TYR 446 2.292 -3.681 5.073 135 HH TYR 446 HH TYR 446 3.326 -4.195 7.084 136 H TYR 447 HN TYR 447 2.850 -0.548 -0.427 137 HA TYR 447 HA TYR 447 0.843 0.675 1.295 138 HB2 TYR 447 HB2 TYR 447 0.643 -0.008 -1.646 139 HB3 TYR 447 HB1 TYR 447 -0.417 1.061 -0.728 140 HD1 TYR 447 HD2 TYR 447 0.929 3.016 0.538 141 HD2 TYR 447 HD1 TYR 447 2.235 1.006 -2.978 142 HE1 TYR 447 HE2 TYR 447 2.382 4.922 -0.001 143 HE2 TYR 447 HE1 TYR 447 3.692 2.908 -3.531 144 HH TYR 447 HH TYR 447 4.393 5.407 -1.313 145 H TYR 448 HN TYR 448 -0.433 -0.583 2.440 146 HA TYR 448 HA TYR 448 -0.982 -3.307 1.469 147 HB2 TYR 448 HB2 TYR 448 0.185 -3.412 3.545 148 HB3 TYR 448 HB1 TYR 448 -0.824 -2.158 4.256 149 HD1 TYR 448 HD2 TYR 448 -1.095 -5.597 2.812 150 HD2 TYR 448 HD1 TYR 448 -2.567 -2.776 5.638 151 HE1 TYR 448 HE2 TYR 448 -2.593 -7.311 3.740 152 HE2 TYR 448 HE1 TYR 448 -4.068 -4.482 6.570 153 HH TYR 448 HH TYR 448 -3.844 -7.820 5.681 154 H ASN 449 HN ASN 449 -2.976 -3.766 0.845 155 HA ASN 449 HA ASN 449 -5.182 -1.991 1.605 156 HB2 ASN 449 HB2 ASN 449 -4.843 -2.678 -0.800 157 HB3 ASN 449 HB1 ASN 449 -5.215 -4.316 -0.322 158 HD21 ASN 449 HD21 ASN 449 -6.592 -2.333 -2.122 159 HD22 ASN 449 HD22 ASN 449 -8.224 -2.325 -1.577 160 H ASN 450 HN ASN 450 -6.821 -2.633 2.875 161 HA ASN 450 HA ASN 450 -6.213 -4.801 4.636 162 HB2 ASN 450 HB2 ASN 450 -8.380 -2.715 4.578 163 HB3 ASN 450 HB1 ASN 450 -8.390 -4.022 5.762 164 HD21 ASN 450 HD21 ASN 450 -6.847 -1.090 4.734 165 HD22 ASN 450 HD22 ASN 450 -5.868 -0.878 6.143 166 H ARG 451 HN ARG 451 -8.990 -4.213 2.382 167 HA ARG 451 HA ARG 451 -10.057 -6.784 3.282 168 HB2 ARG 451 HB2 ARG 451 -11.172 -4.837 1.261 169 HB3 ARG 451 HB1 ARG 451 -12.001 -6.248 1.896 170 HG2 ARG 451 HG2 ARG 451 -12.114 -5.273 4.080 171 HG3 ARG 451 HG1 ARG 451 -11.108 -3.912 3.568 172 HD2 ARG 451 HD2 ARG 451 -13.856 -4.609 2.532 173 HD3 ARG 451 HD1 ARG 451 -13.443 -3.256 3.589 174 HE ARG 451 HE ARG 451 -11.916 -2.610 1.592 175 HH11 ARG 451 HH11 ARG 451 -15.118 -4.039 1.343 176 HH12 ARG 451 HH12 ARG 451 -15.443 -3.313 -0.205 177 HH21 ARG 451 HH21 ARG 451 -12.308 -1.729 -0.427 178 HH22 ARG 451 HH22 ARG 451 -13.831 -2.015 -1.229 179 H THR 452 HN THR 452 -7.982 -5.732 0.831 180 HA THR 452 HA THR 452 -8.417 -8.182 -0.679 181 HB THR 452 HB THR 452 -6.406 -7.530 -1.940 182 HG1 THR 452 HG1 THR 452 -5.312 -5.657 -1.411 183 HG21 THR 452 HG21 THR 452 -8.382 -5.265 -1.615 184 HG22 THR 452 HG22 THR 452 -8.583 -6.665 -2.669 185 HG23 THR 452 HG23 THR 452 -7.299 -5.498 -2.985 186 H ASP 453 HN ASP 453 -6.406 -6.758 1.750 187 HA ASP 453 HA ASP 453 -4.953 -7.554 3.276 188 HB2 ASP 453 HB2 ASP 453 -6.593 -9.300 3.678 189 HB3 ASP 453 HB1 ASP 453 -5.981 -10.231 2.331 190 H GLU 454 HN GLU 454 -4.176 -6.809 0.661 191 HA GLU 454 HA GLU 454 -1.684 -8.353 0.536 192 HB2 GLU 454 HB2 GLU 454 -1.719 -8.112 -1.993 193 HB3 GLU 454 HB1 GLU 454 -2.767 -9.323 -1.292 194 HG2 GLU 454 HG2 GLU 454 -4.066 -8.362 -2.930 195 HG3 GLU 454 HG1 GLU 454 -4.607 -7.559 -1.460 196 H SER 455 HN SER 455 0.118 -7.240 -0.270 197 HA SER 455 HA SER 455 -0.186 -4.321 -0.142 198 HB2 SER 455 HB2 SER 455 0.855 -5.246 1.899 199 HB3 SER 455 HB1 SER 455 2.108 -5.996 0.911 200 HG SER 455 HG SER 455 1.671 -3.250 0.627 201 H THR 456 HN THR 456 0.721 -3.173 -1.722 202 HA THR 456 HA THR 456 2.569 -4.555 -3.546 203 HB THR 456 HB THR 456 0.423 -4.141 -4.659 204 HG1 THR 456 HG1 THR 456 1.366 -2.608 -6.332 205 HG21 THR 456 HG21 THR 456 -0.340 -2.221 -3.362 206 HG22 THR 456 HG22 THR 456 -0.350 -1.851 -5.086 207 HG23 THR 456 HG23 THR 456 0.941 -1.227 -4.058 208 H TRP 457 HN TRP 457 4.293 -3.343 -4.372 209 HA TRP 457 HA TRP 457 5.054 -1.072 -2.700 210 HB2 TRP 457 HB2 TRP 457 6.648 -2.616 -4.764 211 HB3 TRP 457 HB1 TRP 457 7.286 -1.353 -3.714 212 HD1 TRP 457 HD1 TRP 457 6.033 -4.976 -3.611 213 HE1 TRP 457 HE1 TRP 457 6.848 -6.068 -1.429 214 HE3 TRP 457 HE3 TRP 457 8.031 -0.852 -1.347 215 HZ2 TRP 457 HZ2 TRP 457 8.175 -5.279 0.942 216 HZ3 TRP 457 HZ3 TRP 457 9.056 -1.105 0.876 217 HH2 TRP 457 HH2 TRP 457 9.124 -3.275 1.996 218 H GLU 458 HN GLU 458 3.422 -1.591 -5.467 219 HA GLU 458 HA GLU 458 4.393 0.752 -6.912 220 HB2 GLU 458 HB2 GLU 458 3.836 -1.347 -8.133 221 HB3 GLU 458 HB1 GLU 458 2.175 -1.200 -7.583 222 HG2 GLU 458 HG2 GLU 458 1.968 0.912 -8.808 223 HG3 GLU 458 HG1 GLU 458 3.624 0.725 -9.386 224 H LYS 459 HN LYS 459 3.207 2.625 -7.117 225 HA LYS 459 HA LYS 459 1.516 3.417 -5.058 226 HB2 LYS 459 HB2 LYS 459 2.673 5.066 -6.344 227 HB3 LYS 459 HB1 LYS 459 1.911 4.526 -7.834 228 HG2 LYS 459 HG2 LYS 459 -0.255 5.307 -6.997 229 HG3 LYS 459 HG1 LYS 459 0.528 5.866 -5.520 230 HD2 LYS 459 HD2 LYS 459 1.468 6.815 -8.199 231 HD3 LYS 459 HD1 LYS 459 0.069 7.557 -7.424 232 HE2 LYS 459 HE2 LYS 459 1.480 7.993 -5.428 233 HE3 LYS 459 HE1 LYS 459 2.869 7.377 -6.323 234 HZ1 LYS 459 HZ1 LYS 459 2.765 9.150 -7.828 235 HZ2 LYS 459 HZ2 LYS 459 2.528 9.869 -6.309 236 HZ3 LYS 459 HZ3 LYS 459 1.207 9.606 -7.340 237 HA PRO 460 HA PRO 460 -2.300 1.368 -6.108 238 HB2 PRO 460 HB2 PRO 460 -3.469 3.301 -4.211 239 HB3 PRO 460 HB1 PRO 460 -3.460 1.538 -4.157 240 HG2 PRO 460 HG2 PRO 460 -1.958 2.999 -2.487 241 HG3 PRO 460 HG1 PRO 460 -1.395 1.446 -3.132 242 HD2 PRO 460 HD2 PRO 460 -0.664 4.223 -3.966 243 HD3 PRO 460 HD1 PRO 460 0.369 2.787 -3.797 244 H GLN 461 HN GLN 461 -4.211 1.825 -7.208 245 HA GLN 461 HA GLN 461 -3.966 3.971 -9.034 246 HB2 GLN 461 HB2 GLN 461 -6.149 1.944 -8.592 247 HB3 GLN 461 HB1 GLN 461 -6.194 3.137 -9.881 248 HG2 GLN 461 HG2 GLN 461 -4.099 1.007 -9.504 249 HG3 GLN 461 HG1 GLN 461 -5.388 1.005 -10.706 250 HE21 GLN 461 HE21 GLN 461 -2.309 2.286 -9.811 251 HE22 GLN 461 HE22 GLN 461 -1.991 3.139 -11.288 252 H GLU 462 HN GLU 462 -5.389 3.886 -5.949 253 HA GLU 462 HA GLU 462 -7.158 6.133 -6.600 254 HB2 GLU 462 HB2 GLU 462 -8.089 5.858 -4.363 255 HB3 GLU 462 HB1 GLU 462 -8.100 4.325 -5.222 256 HG2 GLU 462 HG2 GLU 462 -5.981 3.742 -4.014 257 HG3 GLU 462 HG1 GLU 462 -6.231 5.189 -3.037 258 H LEU 463 HN LEU 463 -4.029 5.662 -5.821 259 HA LEU 463 HA LEU 463 -3.837 8.187 -4.308 260 HB2 LEU 463 HB2 LEU 463 -3.199 6.110 -3.046 261 HB3 LEU 463 HB1 LEU 463 -1.922 5.850 -4.218 262 HG LEU 463 HG LEU 463 -0.918 8.026 -3.534 263 HD11 LEU 463 HD11 LEU 463 -3.008 7.916 -1.364 264 HD12 LEU 463 HD12 LEU 463 -2.927 9.094 -2.674 265 HD13 LEU 463 HD13 LEU 463 -1.661 9.053 -1.445 266 HD21 LEU 463 HD21 LEU 463 -0.020 7.207 -1.412 267 HD22 LEU 463 HD22 LEU 463 -0.104 5.921 -2.616 268 HD23 LEU 463 HD23 LEU 463 -1.308 6.004 -1.330 269 H LYS 464 HN LYS 464 -3.633 7.165 -7.281 270 HA LYS 464 HA LYS 464 -0.976 7.499 -8.105 271 HB2 LYS 464 HB2 LYS 464 -1.905 7.737 -10.396 272 HB3 LYS 464 HB1 LYS 464 -2.493 6.326 -9.534 273 HG2 LYS 464 HG2 LYS 464 -4.611 7.340 -9.158 274 HG3 LYS 464 HG1 LYS 464 -4.029 8.901 -9.746 275 HD2 LYS 464 HD2 LYS 464 -5.346 7.862 -11.474 276 HD3 LYS 464 HD1 LYS 464 -3.656 7.868 -11.972 277 HE2 LYS 464 HE2 LYS 464 -3.469 5.526 -11.192 278 HE3 LYS 464 HE1 LYS 464 -5.195 5.540 -10.836 279 HZ1 LYS 464 HZ1 LYS 464 -3.876 5.744 -13.481 280 HZ2 LYS 464 HZ2 LYS 464 -5.501 6.166 -13.251 281 HZ3 LYS 464 HZ3 LYS 464 -4.987 4.579 -12.950 Start of MODEL 13 1 H1 GLY 428 HT1 GLY 428 -20.941 6.552 -6.569 2 H2 GLY 428 HT2 GLY 428 -20.808 8.043 -5.773 3 H3 GLY 428 HT3 GLY 428 -20.808 6.602 -4.880 4 HA2 GLY 428 HA1 GLY 428 -18.723 7.416 -6.821 5 HA3 GLY 428 HA2 GLY 428 -18.575 7.529 -5.072 6 H ALA 429 HN ALA 429 -16.954 5.997 -6.968 7 HA ALA 429 HA ALA 429 -17.619 3.245 -6.762 8 HB1 ALA 429 HB1 ALA 429 -15.354 2.839 -7.575 9 HB2 ALA 429 HB2 ALA 429 -14.942 4.529 -7.293 10 HB3 ALA 429 HB3 ALA 429 -16.142 4.107 -8.515 11 H THR 430 HN THR 430 -16.670 1.649 -5.463 12 HA THR 430 HA THR 430 -16.104 2.546 -2.776 13 HB THR 430 HB THR 430 -16.012 -0.013 -2.395 14 HG1 THR 430 HG1 THR 430 -16.042 -1.067 -4.244 15 HG21 THR 430 HG21 THR 430 -18.564 1.293 -3.359 16 HG22 THR 430 HG22 THR 430 -17.898 1.412 -1.730 17 HG23 THR 430 HG23 THR 430 -18.458 -0.145 -2.341 18 H ALA 431 HN ALA 431 -14.064 3.238 -4.569 19 HA ALA 431 HA ALA 431 -11.852 1.622 -3.502 20 HB1 ALA 431 HB1 ALA 431 -12.005 2.747 -6.300 21 HB2 ALA 431 HB2 ALA 431 -12.149 1.046 -5.862 22 HB3 ALA 431 HB3 ALA 431 -10.627 1.897 -5.602 23 H VAL 432 HN VAL 432 -11.413 3.080 -1.893 24 HA VAL 432 HA VAL 432 -9.771 5.278 -2.560 25 HB VAL 432 HB VAL 432 -11.909 6.381 -3.047 26 HG11 VAL 432 HG11 VAL 432 -13.385 5.105 -1.604 27 HG12 VAL 432 HG12 VAL 432 -13.537 6.829 -1.270 28 HG13 VAL 432 HG13 VAL 432 -12.620 5.796 -0.174 29 HG21 VAL 432 HG21 VAL 432 -10.105 7.748 -2.197 30 HG22 VAL 432 HG22 VAL 432 -10.572 7.385 -0.536 31 HG23 VAL 432 HG23 VAL 432 -11.642 8.338 -1.566 32 H SER 433 HN SER 433 -8.429 5.675 -0.924 33 HA SER 433 HA SER 433 -7.367 5.511 1.053 34 HB2 SER 433 HB2 SER 433 -8.741 6.007 3.105 35 HB3 SER 433 HB1 SER 433 -8.889 7.185 1.810 36 HG SER 433 HG SER 433 -10.747 5.222 2.639 37 H GLU 434 HN GLU 434 -8.243 3.048 -0.193 38 HA GLU 434 HA GLU 434 -8.832 1.274 2.054 39 HB2 GLU 434 HB2 GLU 434 -8.246 0.544 -0.816 40 HB3 GLU 434 HB1 GLU 434 -8.913 -0.510 0.419 41 HG2 GLU 434 HG2 GLU 434 -10.871 1.086 0.514 42 HG3 GLU 434 HG1 GLU 434 -10.221 1.802 -0.964 43 H TRP 435 HN TRP 435 -6.179 2.502 0.323 44 HA TRP 435 HA TRP 435 -4.427 0.301 1.155 45 HB2 TRP 435 HB2 TRP 435 -3.954 2.531 -0.840 46 HB3 TRP 435 HB1 TRP 435 -2.814 1.246 -0.460 47 HD1 TRP 435 HD1 TRP 435 -6.355 1.653 -1.970 48 HE1 TRP 435 HE1 TRP 435 -6.720 -0.228 -3.685 49 HE3 TRP 435 HE3 TRP 435 -1.992 -0.917 -1.273 50 HZ2 TRP 435 HZ2 TRP 435 -5.330 -2.502 -4.623 51 HZ3 TRP 435 HZ3 TRP 435 -1.587 -2.934 -2.623 52 HH2 TRP 435 HH2 TRP 435 -3.221 -3.710 -4.260 53 H THR 436 HN THR 436 -3.075 0.576 2.788 54 HA THR 436 HA THR 436 -2.350 3.327 3.582 55 HB THR 436 HB THR 436 -2.198 0.940 5.403 56 HG1 THR 436 HG1 THR 436 -4.440 2.274 4.490 57 HG21 THR 436 HG21 THR 436 -2.380 2.652 7.158 58 HG22 THR 436 HG22 THR 436 -2.499 3.906 5.924 59 HG23 THR 436 HG23 THR 436 -1.012 2.973 6.094 60 H GLU 437 HN GLU 437 -0.161 3.720 4.015 61 HA GLU 437 HA GLU 437 1.636 1.558 3.153 62 HB2 GLU 437 HB2 GLU 437 3.052 3.166 2.046 63 HB3 GLU 437 HB1 GLU 437 1.418 3.284 1.415 64 HG2 GLU 437 HG2 GLU 437 2.499 5.128 3.513 65 HG3 GLU 437 HG1 GLU 437 2.647 5.449 1.791 66 H TYR 438 HN TYR 438 3.337 1.120 4.346 67 HA TYR 438 HA TYR 438 4.052 2.956 6.539 68 HB2 TYR 438 HB2 TYR 438 4.118 -0.073 6.536 69 HB3 TYR 438 HB1 TYR 438 4.719 0.947 7.837 70 HD1 TYR 438 HD1 TYR 438 3.082 2.372 9.117 71 HD2 TYR 438 HD2 TYR 438 1.828 -0.642 6.389 72 HE1 TYR 438 HE1 TYR 438 0.854 2.364 10.160 73 HE2 TYR 438 HE2 TYR 438 -0.404 -0.660 7.424 74 HH TYR 438 HH TYR 438 -1.469 1.753 9.556 75 H LYS 439 HN LYS 439 6.233 3.377 6.780 76 HA LYS 439 HA LYS 439 7.901 2.503 4.552 77 HB2 LYS 439 HB2 LYS 439 7.759 4.929 5.258 78 HB3 LYS 439 HB1 LYS 439 8.598 4.478 6.735 79 HG2 LYS 439 HG2 LYS 439 10.245 5.362 5.310 80 HG3 LYS 439 HG1 LYS 439 10.469 3.616 5.259 81 HD2 LYS 439 HD2 LYS 439 10.660 4.402 2.999 82 HD3 LYS 439 HD1 LYS 439 9.123 3.575 3.135 83 HE2 LYS 439 HE2 LYS 439 8.808 5.613 1.892 84 HE3 LYS 439 HE1 LYS 439 7.990 5.762 3.443 85 HZ1 LYS 439 HZ1 LYS 439 9.719 7.154 4.255 86 HZ2 LYS 439 HZ2 LYS 439 9.259 7.755 2.736 87 HZ3 LYS 439 HZ3 LYS 439 10.692 6.861 2.895 88 H THR 440 HN THR 440 9.397 1.025 4.717 89 HA THR 440 HA THR 440 9.748 -0.351 7.250 90 HB THR 440 HB THR 440 11.007 -2.002 5.807 91 HG1 THR 440 HG1 THR 440 11.413 -1.454 3.810 92 HG21 THR 440 HG21 THR 440 8.654 -2.342 6.389 93 HG22 THR 440 HG22 THR 440 8.987 -2.908 4.751 94 HG23 THR 440 HG23 THR 440 8.164 -1.368 5.001 95 H ALA 441 HN ALA 441 11.819 -0.855 8.106 96 HA ALA 441 HA ALA 441 13.505 1.278 8.485 97 HB1 ALA 441 HB1 ALA 441 15.100 -0.301 9.434 98 HB2 ALA 441 HB2 ALA 441 14.232 -1.638 8.680 99 HB3 ALA 441 HB3 ALA 441 13.450 -0.674 9.933 100 H ASP 442 HN ASP 442 13.534 -0.867 5.751 101 HA ASP 442 HA ASP 442 16.222 -0.213 4.942 102 HB2 ASP 442 HB2 ASP 442 15.686 -1.403 2.858 103 HB3 ASP 442 HB1 ASP 442 15.274 -2.360 4.277 104 H GLY 443 HN GLY 443 13.397 1.495 4.958 105 HA2 GLY 443 HA2 GLY 443 13.353 3.767 4.475 106 HA3 GLY 443 HA1 GLY 443 14.699 3.556 3.372 107 H LYS 444 HN LYS 444 11.649 1.727 3.299 108 HA LYS 444 HA LYS 444 10.622 3.439 1.166 109 HB2 LYS 444 HB2 LYS 444 10.954 0.535 0.793 110 HB3 LYS 444 HB1 LYS 444 10.201 1.642 -0.315 111 HG2 LYS 444 HG2 LYS 444 12.424 2.784 -0.537 112 HG3 LYS 444 HG1 LYS 444 13.116 1.439 0.370 113 HD2 LYS 444 HD2 LYS 444 11.625 1.233 -2.244 114 HD3 LYS 444 HD1 LYS 444 13.375 1.129 -2.040 115 HE2 LYS 444 HE2 LYS 444 11.338 -0.765 -0.868 116 HE3 LYS 444 HE1 LYS 444 12.360 -1.083 -2.269 117 HZ1 LYS 444 HZ1 LYS 444 14.290 -0.649 -0.708 118 HZ2 LYS 444 HZ2 LYS 444 13.445 -2.098 -0.500 119 HZ3 LYS 444 HZ3 LYS 444 13.174 -0.806 0.566 120 H THR 445 HN THR 445 8.418 3.027 0.598 121 HA THR 445 HA THR 445 6.920 1.921 2.859 122 HB THR 445 HB THR 445 5.034 3.097 1.353 123 HG1 THR 445 HG1 THR 445 6.305 3.907 -0.253 124 HG21 THR 445 HG21 THR 445 5.474 3.587 3.705 125 HG22 THR 445 HG22 THR 445 5.259 5.076 2.782 126 HG23 THR 445 HG23 THR 445 6.877 4.553 3.247 127 H TYR 446 HN TYR 446 5.432 0.331 2.641 128 HA TYR 446 HA TYR 446 4.967 -0.703 -0.074 129 HB2 TYR 446 HB2 TYR 446 4.560 -2.896 0.847 130 HB3 TYR 446 HB1 TYR 446 6.118 -2.325 1.414 131 HD1 TYR 446 HD1 TYR 446 6.370 -1.600 3.797 132 HD2 TYR 446 HD2 TYR 446 2.801 -3.412 2.359 133 HE1 TYR 446 HE1 TYR 446 5.697 -2.098 6.107 134 HE2 TYR 446 HE2 TYR 446 2.115 -3.910 4.666 135 HH TYR 446 HH TYR 446 3.606 -2.533 7.367 136 H TYR 447 HN TYR 447 2.891 -0.993 -0.723 137 HA TYR 447 HA TYR 447 0.956 0.456 0.931 138 HB2 TYR 447 HB2 TYR 447 0.952 -0.132 -2.035 139 HB3 TYR 447 HB1 TYR 447 -0.314 0.752 -1.185 140 HD1 TYR 447 HD1 TYR 447 0.159 2.997 -0.247 141 HD2 TYR 447 HD2 TYR 447 3.056 0.908 -2.556 142 HE1 TYR 447 HE1 TYR 447 1.408 5.085 -0.559 143 HE2 TYR 447 HE2 TYR 447 4.321 2.994 -2.862 144 HH TYR 447 HH TYR 447 3.593 5.861 -1.087 145 H TYR 448 HN TYR 448 -0.612 -0.542 1.888 146 HA TYR 448 HA TYR 448 -1.151 -3.354 1.207 147 HB2 TYR 448 HB2 TYR 448 -0.113 -3.255 3.339 148 HB3 TYR 448 HB1 TYR 448 -1.060 -1.861 3.825 149 HD1 TYR 448 HD2 TYR 448 -1.456 -5.462 2.923 150 HD2 TYR 448 HD1 TYR 448 -2.914 -2.159 5.175 151 HE1 TYR 448 HE2 TYR 448 -3.072 -6.938 4.039 152 HE2 TYR 448 HE1 TYR 448 -4.533 -3.630 6.294 153 HH TYR 448 HH TYR 448 -4.476 -7.111 5.829 154 H ASN 449 HN ASN 449 -3.135 -3.750 0.416 155 HA ASN 449 HA ASN 449 -5.323 -1.889 0.960 156 HB2 ASN 449 HB2 ASN 449 -5.075 -2.887 -1.320 157 HB3 ASN 449 HB1 ASN 449 -5.397 -4.470 -0.620 158 HD21 ASN 449 HD21 ASN 449 -6.769 -1.480 -1.661 159 HD22 ASN 449 HD22 ASN 449 -8.423 -1.912 -1.414 160 H ASN 450 HN ASN 450 -7.092 -2.397 2.211 161 HA ASN 450 HA ASN 450 -6.456 -4.212 4.323 162 HB2 ASN 450 HB2 ASN 450 -8.673 -2.253 3.838 163 HB3 ASN 450 HB1 ASN 450 -8.791 -3.410 5.160 164 HD21 ASN 450 HD21 ASN 450 -7.097 -0.635 3.916 165 HD22 ASN 450 HD22 ASN 450 -6.288 -0.232 5.393 166 H ARG 451 HN ARG 451 -9.380 -4.152 2.130 167 HA ARG 451 HA ARG 451 -10.125 -6.626 3.495 168 HB2 ARG 451 HB2 ARG 451 -11.489 -4.833 1.515 169 HB3 ARG 451 HB1 ARG 451 -12.127 -6.432 1.865 170 HG2 ARG 451 HG2 ARG 451 -13.299 -4.970 3.256 171 HG3 ARG 451 HG1 ARG 451 -12.102 -5.776 4.262 172 HD2 ARG 451 HD2 ARG 451 -12.235 -3.398 4.798 173 HD3 ARG 451 HD1 ARG 451 -10.655 -3.825 4.147 174 HE ARG 451 HE ARG 451 -12.221 -2.979 2.002 175 HH11 ARG 451 HH11 ARG 451 -10.971 -1.619 4.988 176 HH12 ARG 451 HH12 ARG 451 -10.810 -0.012 4.334 177 HH21 ARG 451 HH21 ARG 451 -12.020 -0.860 1.142 178 HH22 ARG 451 HH22 ARG 451 -11.454 0.430 2.170 179 H THR 452 HN THR 452 -8.383 -5.867 0.717 180 HA THR 452 HA THR 452 -8.781 -8.543 -0.329 181 HB THR 452 HB THR 452 -7.309 -7.921 -2.097 182 HG1 THR 452 HG1 THR 452 -5.884 -6.327 -1.930 183 HG21 THR 452 HG21 THR 452 -9.476 -7.063 -2.418 184 HG22 THR 452 HG22 THR 452 -8.420 -5.685 -2.745 185 HG23 THR 452 HG23 THR 452 -9.259 -5.816 -1.185 186 H ASP 453 HN ASP 453 -6.788 -6.726 1.744 187 HA ASP 453 HA ASP 453 -4.921 -7.039 2.931 188 HB2 ASP 453 HB2 ASP 453 -6.360 -8.693 4.043 189 HB3 ASP 453 HB1 ASP 453 -5.786 -9.923 2.938 190 H GLU 454 HN GLU 454 -3.792 -6.415 1.009 191 HA GLU 454 HA GLU 454 -1.790 -8.424 0.332 192 HB2 GLU 454 HB2 GLU 454 -1.871 -7.858 -2.053 193 HB3 GLU 454 HB1 GLU 454 -3.392 -8.548 -1.507 194 HG2 GLU 454 HG2 GLU 454 -4.289 -6.227 -1.320 195 HG3 GLU 454 HG1 GLU 454 -2.803 -5.656 -2.078 196 H SER 455 HN SER 455 0.221 -7.580 -0.048 197 HA SER 455 HA SER 455 0.480 -4.665 0.346 198 HB2 SER 455 HB2 SER 455 2.384 -6.799 1.350 199 HB3 SER 455 HB1 SER 455 2.454 -5.068 1.694 200 HG SER 455 HG SER 455 0.035 -6.165 2.312 201 H THR 456 HN THR 456 1.407 -3.679 -1.334 202 HA THR 456 HA THR 456 3.335 -5.196 -2.952 203 HB THR 456 HB THR 456 1.136 -5.241 -4.091 204 HG1 THR 456 HG1 THR 456 2.126 -5.018 -5.960 205 HG21 THR 456 HG21 THR 456 0.263 -3.097 -3.271 206 HG22 THR 456 HG22 THR 456 0.199 -3.192 -5.028 207 HG23 THR 456 HG23 THR 456 1.456 -2.243 -4.243 208 H TRP 457 HN TRP 457 4.912 -3.956 -4.006 209 HA TRP 457 HA TRP 457 5.376 -1.339 -2.822 210 HB2 TRP 457 HB2 TRP 457 7.150 -2.865 -4.740 211 HB3 TRP 457 HB1 TRP 457 7.603 -1.484 -3.747 212 HD1 TRP 457 HD1 TRP 457 7.018 -5.240 -3.562 213 HE1 TRP 457 HE1 TRP 457 7.943 -6.127 -1.331 214 HE3 TRP 457 HE3 TRP 457 8.052 -0.777 -1.296 215 HZ2 TRP 457 HZ2 TRP 457 8.973 -5.063 1.078 216 HZ3 TRP 457 HZ3 TRP 457 9.000 -0.797 0.973 217 HH2 TRP 457 HH2 TRP 457 9.446 -2.893 2.136 218 H GLU 458 HN GLU 458 3.365 -0.720 -4.076 219 HA GLU 458 HA GLU 458 4.156 0.771 -6.405 220 HB2 GLU 458 HB2 GLU 458 3.618 -1.410 -7.415 221 HB3 GLU 458 HB1 GLU 458 2.039 -1.383 -6.645 222 HG2 GLU 458 HG2 GLU 458 1.942 -0.783 -9.017 223 HG3 GLU 458 HG1 GLU 458 1.376 0.517 -7.970 224 H LYS 459 HN LYS 459 3.084 2.639 -6.405 225 HA LYS 459 HA LYS 459 1.267 3.218 -4.285 226 HB2 LYS 459 HB2 LYS 459 3.020 4.717 -5.619 227 HB3 LYS 459 HB1 LYS 459 1.610 5.068 -6.604 228 HG2 LYS 459 HG2 LYS 459 0.450 6.014 -4.752 229 HG3 LYS 459 HG1 LYS 459 1.680 5.443 -3.617 230 HD2 LYS 459 HD2 LYS 459 3.332 6.866 -4.936 231 HD3 LYS 459 HD1 LYS 459 1.926 7.598 -5.709 232 HE2 LYS 459 HE2 LYS 459 2.402 7.532 -2.732 233 HE3 LYS 459 HE1 LYS 459 2.813 8.890 -3.774 234 HZ1 LYS 459 HZ1 LYS 459 0.697 9.255 -2.705 235 HZ2 LYS 459 HZ2 LYS 459 0.090 7.801 -3.319 236 HZ3 LYS 459 HZ3 LYS 459 0.467 9.068 -4.375 237 HA PRO 460 HA PRO 460 -2.370 1.616 -6.354 238 HB2 PRO 460 HB2 PRO 460 -4.109 2.945 -4.632 239 HB3 PRO 460 HB1 PRO 460 -3.434 1.338 -4.368 240 HG2 PRO 460 HG2 PRO 460 -2.542 3.970 -3.287 241 HG3 PRO 460 HG1 PRO 460 -2.591 2.385 -2.491 242 HD2 PRO 460 HD2 PRO 460 -0.292 3.411 -3.369 243 HD3 PRO 460 HD1 PRO 460 -0.632 1.674 -3.521 244 H GLN 461 HN GLN 461 -3.989 2.391 -7.709 245 HA GLN 461 HA GLN 461 -3.467 4.956 -8.851 246 HB2 GLN 461 HB2 GLN 461 -5.682 2.976 -9.397 247 HB3 GLN 461 HB1 GLN 461 -5.358 4.407 -10.363 248 HG2 GLN 461 HG2 GLN 461 -3.465 2.106 -9.949 249 HG3 GLN 461 HG1 GLN 461 -4.438 2.401 -11.390 250 HE21 GLN 461 HE21 GLN 461 -3.902 4.080 -12.759 251 HE22 GLN 461 HE22 GLN 461 -2.345 4.845 -12.716 252 H GLU 462 HN GLU 462 -5.614 3.837 -6.398 253 HA GLU 462 HA GLU 462 -7.384 6.114 -6.594 254 HB2 GLU 462 HB2 GLU 462 -8.413 5.237 -4.546 255 HB3 GLU 462 HB1 GLU 462 -8.250 3.977 -5.762 256 HG2 GLU 462 HG2 GLU 462 -7.274 2.718 -4.231 257 HG3 GLU 462 HG1 GLU 462 -5.912 3.836 -4.248 258 H LEU 463 HN LEU 463 -4.411 5.331 -5.158 259 HA LEU 463 HA LEU 463 -4.454 7.785 -3.531 260 HB2 LEU 463 HB2 LEU 463 -4.356 5.606 -2.268 261 HB3 LEU 463 HB1 LEU 463 -2.820 5.284 -3.050 262 HG LEU 463 HG LEU 463 -1.854 7.269 -1.961 263 HD11 LEU 463 HD11 LEU 463 -3.895 8.599 -1.762 264 HD12 LEU 463 HD12 LEU 463 -3.084 8.423 -0.205 265 HD13 LEU 463 HD13 LEU 463 -4.519 7.462 -0.565 266 HD21 LEU 463 HD21 LEU 463 -3.201 5.345 -0.072 267 HD22 LEU 463 HD22 LEU 463 -1.808 6.358 0.307 268 HD23 LEU 463 HD23 LEU 463 -1.667 5.083 -0.904 269 H LYS 464 HN LYS 464 -3.814 7.500 -6.319 270 HA LYS 464 HA LYS 464 -1.078 7.247 -6.879 271 HB2 LYS 464 HB2 LYS 464 -2.736 7.155 -8.643 272 HB3 LYS 464 HB1 LYS 464 -3.258 8.796 -8.296 273 HG2 LYS 464 HG2 LYS 464 -1.941 9.307 -10.033 274 HG3 LYS 464 HG1 LYS 464 -0.654 9.225 -8.838 275 HD2 LYS 464 HD2 LYS 464 -1.507 6.915 -10.574 276 HD3 LYS 464 HD1 LYS 464 -0.176 7.999 -10.958 277 HE2 LYS 464 HE2 LYS 464 0.990 6.327 -9.945 278 HE3 LYS 464 HE1 LYS 464 0.611 7.303 -8.528 279 HZ1 LYS 464 HZ1 LYS 464 0.192 4.909 -8.219 280 HZ2 LYS 464 HZ2 LYS 464 -0.980 4.966 -9.439 281 HZ3 LYS 464 HZ3 LYS 464 -1.205 5.843 -8.008 Start of MODEL 14 1 H1 GLY 428 HT1 GLY 428 1.606 7.702 -1.000 2 H2 GLY 428 HT2 GLY 428 2.735 8.958 -1.150 3 H3 GLY 428 HT3 GLY 428 2.479 7.898 -2.440 4 HA2 GLY 428 HA1 GLY 428 1.405 9.996 -2.883 5 HA3 GLY 428 HA2 GLY 428 0.221 8.707 -2.706 6 H ALA 429 HN ALA 429 -1.499 9.863 -1.952 7 HA ALA 429 HA ALA 429 -1.330 11.721 0.198 8 HB1 ALA 429 HB1 ALA 429 -3.705 10.139 -0.797 9 HB2 ALA 429 HB2 ALA 429 -3.216 11.737 -1.366 10 HB3 ALA 429 HB3 ALA 429 -3.774 11.523 0.294 11 H THR 430 HN THR 430 -0.627 11.124 2.135 12 HA THR 430 HA THR 430 0.035 8.596 2.879 13 HB THR 430 HB THR 430 -0.088 9.590 5.303 14 HG1 THR 430 HG1 THR 430 -1.393 11.364 4.888 15 HG21 THR 430 HG21 THR 430 1.966 9.226 4.019 16 HG22 THR 430 HG22 THR 430 2.022 10.759 4.889 17 HG23 THR 430 HG23 THR 430 1.699 10.740 3.156 18 H ALA 431 HN ALA 431 -1.392 7.002 2.723 19 HA ALA 431 HA ALA 431 -2.899 5.473 3.424 20 HB1 ALA 431 HB1 ALA 431 -3.585 5.445 5.744 21 HB2 ALA 431 HB2 ALA 431 -3.054 7.114 5.945 22 HB3 ALA 431 HB3 ALA 431 -1.873 5.846 5.619 23 H VAL 432 HN VAL 432 -4.534 5.751 1.988 24 HA VAL 432 HA VAL 432 -6.832 7.272 2.991 25 HB VAL 432 HB VAL 432 -7.467 7.807 0.624 26 HG11 VAL 432 HG11 VAL 432 -5.949 9.722 0.423 27 HG12 VAL 432 HG12 VAL 432 -4.881 8.994 1.623 28 HG13 VAL 432 HG13 VAL 432 -6.507 9.499 2.081 29 HG21 VAL 432 HG21 VAL 432 -5.732 7.799 -1.099 30 HG22 VAL 432 HG22 VAL 432 -6.068 6.165 -0.525 31 HG23 VAL 432 HG23 VAL 432 -4.618 7.011 0.020 32 H SER 433 HN SER 433 -8.367 5.890 3.454 33 HA SER 433 HA SER 433 -9.896 4.198 3.275 34 HB2 SER 433 HB2 SER 433 -9.277 4.135 0.338 35 HB3 SER 433 HB1 SER 433 -10.807 3.786 1.146 36 HG SER 433 HG SER 433 -10.854 6.007 1.789 37 H GLU 434 HN GLU 434 -9.531 2.275 0.987 38 HA GLU 434 HA GLU 434 -8.705 0.016 2.165 39 HB2 GLU 434 HB2 GLU 434 -8.098 0.743 -0.703 40 HB3 GLU 434 HB1 GLU 434 -8.195 -0.886 -0.048 41 HG2 GLU 434 HG2 GLU 434 -10.458 1.088 -0.208 42 HG3 GLU 434 HG1 GLU 434 -10.201 -0.289 -1.281 43 H TRP 435 HN TRP 435 -6.544 2.362 0.627 44 HA TRP 435 HA TRP 435 -4.304 0.533 0.985 45 HB2 TRP 435 HB2 TRP 435 -4.441 3.161 -0.501 46 HB3 TRP 435 HB1 TRP 435 -3.085 2.036 -0.509 47 HD1 TRP 435 HD1 TRP 435 -6.385 2.714 -2.177 48 HE1 TRP 435 HE1 TRP 435 -6.825 0.937 -3.985 49 HE3 TRP 435 HE3 TRP 435 -2.639 -0.565 -1.008 50 HZ2 TRP 435 HZ2 TRP 435 -5.722 -1.533 -4.804 51 HZ3 TRP 435 HZ3 TRP 435 -2.399 -2.610 -2.355 52 HH2 TRP 435 HH2 TRP 435 -3.910 -3.082 -4.212 53 H THR 436 HN THR 436 -3.177 0.653 2.764 54 HA THR 436 HA THR 436 -2.786 3.276 4.045 55 HB THR 436 HB THR 436 -2.081 0.634 5.297 56 HG1 THR 436 HG1 THR 436 -4.531 1.393 4.569 57 HG21 THR 436 HG21 THR 436 -2.919 3.301 6.444 58 HG22 THR 436 HG22 THR 436 -1.271 2.676 6.385 59 HG23 THR 436 HG23 THR 436 -2.484 1.870 7.378 60 H GLU 437 HN GLU 437 -0.682 3.971 4.503 61 HA GLU 437 HA GLU 437 1.394 2.606 2.930 62 HB2 GLU 437 HB2 GLU 437 1.009 5.524 3.577 63 HB3 GLU 437 HB1 GLU 437 2.496 4.881 2.890 64 HG2 GLU 437 HG2 GLU 437 1.299 4.102 0.950 65 HG3 GLU 437 HG1 GLU 437 -0.224 4.670 1.633 66 H TYR 438 HN TYR 438 3.014 1.752 3.960 67 HA TYR 438 HA TYR 438 3.858 2.923 6.533 68 HB2 TYR 438 HB2 TYR 438 3.613 -0.004 5.861 69 HB3 TYR 438 HB1 TYR 438 4.511 0.596 7.242 70 HD1 TYR 438 HD1 TYR 438 3.216 2.019 8.950 71 HD2 TYR 438 HD2 TYR 438 1.330 -0.474 6.062 72 HE1 TYR 438 HE1 TYR 438 1.180 1.973 10.326 73 HE2 TYR 438 HE2 TYR 438 -0.712 -0.518 7.429 74 HH TYR 438 HH TYR 438 -1.250 1.592 10.011 75 H LYS 439 HN LYS 439 5.976 3.291 6.706 76 HA LYS 439 HA LYS 439 7.675 2.627 4.434 77 HB2 LYS 439 HB2 LYS 439 7.614 4.955 5.399 78 HB3 LYS 439 HB1 LYS 439 8.352 4.308 6.858 79 HG2 LYS 439 HG2 LYS 439 10.126 5.230 5.648 80 HG3 LYS 439 HG1 LYS 439 10.242 3.497 5.356 81 HD2 LYS 439 HD2 LYS 439 10.593 4.582 3.244 82 HD3 LYS 439 HD1 LYS 439 8.998 3.850 3.188 83 HE2 LYS 439 HE2 LYS 439 8.827 6.050 2.276 84 HE3 LYS 439 HE1 LYS 439 8.027 6.066 3.846 85 HZ1 LYS 439 HZ1 LYS 439 10.678 7.190 3.143 86 HZ2 LYS 439 HZ2 LYS 439 10.187 6.961 4.749 87 HZ3 LYS 439 HZ3 LYS 439 9.316 8.010 3.738 88 H THR 440 HN THR 440 9.391 1.301 4.532 89 HA THR 440 HA THR 440 9.605 -0.477 6.814 90 HB THR 440 HB THR 440 11.184 -1.730 5.334 91 HG1 THR 440 HG1 THR 440 11.848 -0.864 3.520 92 HG21 THR 440 HG21 THR 440 9.481 -2.505 3.745 93 HG22 THR 440 HG22 THR 440 8.495 -1.094 4.116 94 HG23 THR 440 HG23 THR 440 8.807 -2.301 5.361 95 H ALA 441 HN ALA 441 11.605 -0.873 7.892 96 HA ALA 441 HA ALA 441 13.013 1.355 8.705 97 HB1 ALA 441 HB1 ALA 441 14.575 -0.164 9.763 98 HB2 ALA 441 HB2 ALA 441 13.990 -1.493 8.762 99 HB3 ALA 441 HB3 ALA 441 12.920 -0.746 9.950 100 H ASP 442 HN ASP 442 13.523 -0.468 5.798 101 HA ASP 442 HA ASP 442 16.217 0.586 5.459 102 HB2 ASP 442 HB2 ASP 442 16.300 -0.689 3.397 103 HB3 ASP 442 HB1 ASP 442 15.717 -1.713 4.706 104 H GLY 443 HN GLY 443 13.201 1.777 5.134 105 HA2 GLY 443 HA2 GLY 443 12.902 4.046 4.750 106 HA3 GLY 443 HA1 GLY 443 14.363 4.073 3.789 107 H LYS 444 HN LYS 444 11.513 1.957 3.282 108 HA LYS 444 HA LYS 444 10.521 3.850 1.282 109 HB2 LYS 444 HB2 LYS 444 10.813 0.993 0.611 110 HB3 LYS 444 HB1 LYS 444 10.200 2.269 -0.401 111 HG2 LYS 444 HG2 LYS 444 12.256 2.227 -1.311 112 HG3 LYS 444 HG1 LYS 444 12.695 3.181 0.109 113 HD2 LYS 444 HD2 LYS 444 13.248 1.071 1.288 114 HD3 LYS 444 HD1 LYS 444 12.936 0.195 -0.213 115 HE2 LYS 444 HE2 LYS 444 14.691 1.580 -1.305 116 HE3 LYS 444 HE1 LYS 444 15.055 2.285 0.270 117 HZ1 LYS 444 HZ1 LYS 444 16.584 0.544 -0.045 118 HZ2 LYS 444 HZ2 LYS 444 15.389 -0.527 -0.588 119 HZ3 LYS 444 HZ3 LYS 444 15.431 -0.071 1.043 120 H THR 445 HN THR 445 8.348 3.493 0.612 121 HA THR 445 HA THR 445 6.768 2.286 2.738 122 HB THR 445 HB THR 445 4.886 3.420 1.273 123 HG1 THR 445 HG1 THR 445 5.602 5.031 -0.021 124 HG21 THR 445 HG21 THR 445 5.199 5.501 2.544 125 HG22 THR 445 HG22 THR 445 6.829 4.982 2.975 126 HG23 THR 445 HG23 THR 445 5.433 4.074 3.554 127 H TYR 446 HN TYR 446 5.370 0.644 2.503 128 HA TYR 446 HA TYR 446 5.027 -0.484 -0.195 129 HB2 TYR 446 HB2 TYR 446 4.619 -2.659 0.831 130 HB3 TYR 446 HB1 TYR 446 6.180 -2.040 1.341 131 HD1 TYR 446 HD1 TYR 446 6.531 -1.331 3.668 132 HD2 TYR 446 HD2 TYR 446 2.822 -2.986 2.401 133 HE1 TYR 446 HE1 TYR 446 5.914 -1.728 6.014 134 HE2 TYR 446 HE2 TYR 446 2.191 -3.383 4.744 135 HH TYR 446 HH TYR 446 3.842 -2.005 7.348 136 H TYR 447 HN TYR 447 2.953 -0.967 -0.875 137 HA TYR 447 HA TYR 447 0.907 0.557 0.558 138 HB2 TYR 447 HB2 TYR 447 0.888 -0.501 -2.279 139 HB3 TYR 447 HB1 TYR 447 -0.261 0.636 -1.574 140 HD1 TYR 447 HD2 TYR 447 0.879 2.780 -0.504 141 HD2 TYR 447 HD1 TYR 447 2.614 0.383 -3.557 142 HE1 TYR 447 HE2 TYR 447 2.327 4.656 -1.142 143 HE2 TYR 447 HE1 TYR 447 4.079 2.252 -4.199 144 HH TYR 447 HH TYR 447 4.415 5.071 -2.263 145 H TYR 448 HN TYR 448 -0.693 -0.428 1.598 146 HA TYR 448 HA TYR 448 -1.119 -3.298 1.071 147 HB2 TYR 448 HB2 TYR 448 0.210 -2.631 3.169 148 HB3 TYR 448 HB1 TYR 448 -1.319 -2.038 3.796 149 HD1 TYR 448 HD1 TYR 448 -3.116 -3.629 4.381 150 HD2 TYR 448 HD2 TYR 448 0.667 -4.961 2.973 151 HE1 TYR 448 HE1 TYR 448 -3.608 -5.894 5.209 152 HE2 TYR 448 HE2 TYR 448 0.186 -7.223 3.790 153 HH TYR 448 HH TYR 448 -2.935 -8.180 4.885 154 H ASN 449 HN ASN 449 -3.141 -3.766 0.570 155 HA ASN 449 HA ASN 449 -5.304 -1.942 1.373 156 HB2 ASN 449 HB2 ASN 449 -5.232 -2.730 -1.011 157 HB3 ASN 449 HB1 ASN 449 -5.470 -4.368 -0.437 158 HD21 ASN 449 HD21 ASN 449 -7.168 -2.656 -2.175 159 HD22 ASN 449 HD22 ASN 449 -8.714 -2.634 -1.413 160 H ASN 450 HN ASN 450 -6.687 -2.489 2.948 161 HA ASN 450 HA ASN 450 -5.848 -4.684 4.589 162 HB2 ASN 450 HB2 ASN 450 -7.961 -2.573 5.010 163 HB3 ASN 450 HB1 ASN 450 -7.553 -3.805 6.197 164 HD21 ASN 450 HD21 ASN 450 -6.536 -0.882 4.633 165 HD22 ASN 450 HD22 ASN 450 -5.182 -0.559 5.659 166 H ARG 451 HN ARG 451 -8.915 -3.940 2.807 167 HA ARG 451 HA ARG 451 -9.998 -6.400 3.966 168 HB2 ARG 451 HB2 ARG 451 -11.311 -4.559 1.973 169 HB3 ARG 451 HB1 ARG 451 -12.092 -5.787 2.951 170 HG2 ARG 451 HG2 ARG 451 -11.707 -4.515 4.953 171 HG3 ARG 451 HG1 ARG 451 -10.759 -3.325 4.053 172 HD2 ARG 451 HD2 ARG 451 -13.703 -3.919 3.777 173 HD3 ARG 451 HD1 ARG 451 -12.957 -2.427 4.358 174 HE ARG 451 HE ARG 451 -11.935 -2.479 1.945 175 HH11 ARG 451 HH11 ARG 451 -15.244 -3.171 2.908 176 HH12 ARG 451 HH12 ARG 451 -15.896 -2.821 1.333 177 HH21 ARG 451 HH21 ARG 451 -12.756 -2.047 -0.087 178 HH22 ARG 451 HH22 ARG 451 -14.480 -2.153 -0.378 179 H THR 452 HN THR 452 -8.271 -5.607 1.114 180 HA THR 452 HA THR 452 -9.084 -8.141 -0.071 181 HB THR 452 HB THR 452 -7.288 -7.747 -1.726 182 HG1 THR 452 HG1 THR 452 -6.158 -5.807 -1.688 183 HG21 THR 452 HG21 THR 452 -9.180 -5.425 -1.341 184 HG22 THR 452 HG22 THR 452 -9.541 -6.936 -2.176 185 HG23 THR 452 HG23 THR 452 -8.341 -5.828 -2.838 186 H ASP 453 HN ASP 453 -6.681 -6.705 1.903 187 HA ASP 453 HA ASP 453 -4.962 -7.430 3.148 188 HB2 ASP 453 HB2 ASP 453 -6.590 -9.196 3.831 189 HB3 ASP 453 HB1 ASP 453 -5.919 -10.234 2.589 190 H GLU 454 HN GLU 454 -4.183 -6.573 0.910 191 HA GLU 454 HA GLU 454 -2.258 -8.556 -0.127 192 HB2 GLU 454 HB2 GLU 454 -2.499 -7.685 -2.349 193 HB3 GLU 454 HB1 GLU 454 -4.106 -8.065 -1.751 194 HG2 GLU 454 HG2 GLU 454 -4.404 -5.665 -1.194 195 HG3 GLU 454 HG1 GLU 454 -2.849 -5.338 -1.955 196 H SER 455 HN SER 455 -0.193 -7.804 -0.557 197 HA SER 455 HA SER 455 0.353 -5.009 0.201 198 HB2 SER 455 HB2 SER 455 2.619 -5.894 0.955 199 HB3 SER 455 HB1 SER 455 1.243 -6.349 1.959 200 HG SER 455 HG SER 455 1.984 -8.299 1.662 201 H THR 456 HN THR 456 1.182 -3.838 -1.403 202 HA THR 456 HA THR 456 2.739 -5.220 -3.470 203 HB THR 456 HB THR 456 0.439 -4.946 -4.309 204 HG1 THR 456 HG1 THR 456 1.288 -4.596 -6.200 205 HG21 THR 456 HG21 THR 456 -0.207 -2.940 -3.073 206 HG22 THR 456 HG22 THR 456 -0.436 -2.709 -4.808 207 HG23 THR 456 HG23 THR 456 0.954 -1.986 -3.997 208 H TRP 457 HN TRP 457 4.279 -3.960 -4.541 209 HA TRP 457 HA TRP 457 5.033 -1.517 -3.109 210 HB2 TRP 457 HB2 TRP 457 6.627 -3.272 -4.990 211 HB3 TRP 457 HB1 TRP 457 7.243 -1.823 -4.203 212 HD1 TRP 457 HD1 TRP 457 6.272 -5.445 -3.468 213 HE1 TRP 457 HE1 TRP 457 7.238 -6.116 -1.179 214 HE3 TRP 457 HE3 TRP 457 7.975 -0.873 -1.948 215 HZ2 TRP 457 HZ2 TRP 457 8.547 -4.864 0.985 216 HZ3 TRP 457 HZ3 TRP 457 9.071 -0.693 0.248 217 HH2 TRP 457 HH2 TRP 457 9.352 -2.650 1.683 218 H GLU 458 HN GLU 458 3.238 -2.310 -5.678 219 HA GLU 458 HA GLU 458 4.156 -0.081 -7.350 220 HB2 GLU 458 HB2 GLU 458 3.713 -2.363 -8.364 221 HB3 GLU 458 HB1 GLU 458 2.011 -2.105 -8.008 222 HG2 GLU 458 HG2 GLU 458 1.809 -0.402 -9.569 223 HG3 GLU 458 HG1 GLU 458 3.545 -0.099 -9.604 224 H LYS 459 HN LYS 459 2.920 1.715 -7.637 225 HA LYS 459 HA LYS 459 1.254 2.293 -5.382 226 HB2 LYS 459 HB2 LYS 459 2.985 3.813 -6.394 227 HB3 LYS 459 HB1 LYS 459 1.876 4.078 -7.730 228 HG2 LYS 459 HG2 LYS 459 0.251 5.053 -6.232 229 HG3 LYS 459 HG1 LYS 459 1.287 4.703 -4.846 230 HD2 LYS 459 HD2 LYS 459 1.914 6.565 -7.134 231 HD3 LYS 459 HD1 LYS 459 1.523 7.027 -5.476 232 HE2 LYS 459 HE2 LYS 459 3.529 5.899 -4.675 233 HE3 LYS 459 HE1 LYS 459 3.917 5.399 -6.321 234 HZ1 LYS 459 HZ1 LYS 459 5.207 7.311 -5.769 235 HZ2 LYS 459 HZ2 LYS 459 3.835 8.174 -5.271 236 HZ3 LYS 459 HZ3 LYS 459 4.040 7.785 -6.908 237 HA PRO 460 HA PRO 460 -2.804 1.332 -7.147 238 HB2 PRO 460 HB2 PRO 460 -3.837 3.094 -5.150 239 HB3 PRO 460 HB1 PRO 460 -3.879 1.333 -5.159 240 HG2 PRO 460 HG2 PRO 460 -2.053 3.166 -3.755 241 HG3 PRO 460 HG1 PRO 460 -2.467 1.486 -3.383 242 HD2 PRO 460 HD2 PRO 460 -0.061 2.214 -4.367 243 HD3 PRO 460 HD1 PRO 460 -0.811 0.648 -4.741 244 H GLN 461 HN GLN 461 -4.352 2.509 -8.279 245 HA GLN 461 HA GLN 461 -3.454 4.837 -9.599 246 HB2 GLN 461 HB2 GLN 461 -6.318 3.900 -9.448 247 HB3 GLN 461 HB1 GLN 461 -5.562 4.838 -10.728 248 HG2 GLN 461 HG2 GLN 461 -4.149 2.894 -11.277 249 HG3 GLN 461 HG1 GLN 461 -5.000 1.963 -10.045 250 HE21 GLN 461 HE21 GLN 461 -7.174 1.424 -10.372 251 HE22 GLN 461 HE22 GLN 461 -7.881 1.448 -11.949 252 H GLU 462 HN GLU 462 -5.566 4.310 -6.861 253 HA GLU 462 HA GLU 462 -6.518 7.026 -6.750 254 HB2 GLU 462 HB2 GLU 462 -7.459 6.262 -4.519 255 HB3 GLU 462 HB1 GLU 462 -8.024 5.391 -5.938 256 HG2 GLU 462 HG2 GLU 462 -5.701 4.307 -4.437 257 HG3 GLU 462 HG1 GLU 462 -7.315 4.132 -3.751 258 H LEU 463 HN LEU 463 -3.673 5.530 -5.831 259 HA LEU 463 HA LEU 463 -3.214 7.481 -3.674 260 HB2 LEU 463 HB2 LEU 463 -3.246 5.033 -3.067 261 HB3 LEU 463 HB1 LEU 463 -1.824 4.833 -4.069 262 HG LEU 463 HG LEU 463 -0.545 6.297 -2.609 263 HD11 LEU 463 HD11 LEU 463 -1.498 7.145 -0.530 264 HD12 LEU 463 HD12 LEU 463 -3.076 6.498 -0.982 265 HD13 LEU 463 HD13 LEU 463 -2.350 7.795 -1.931 266 HD21 LEU 463 HD21 LEU 463 -0.626 3.918 -2.104 267 HD22 LEU 463 HD22 LEU 463 -2.060 4.165 -1.107 268 HD23 LEU 463 HD23 LEU 463 -0.517 4.868 -0.622 269 H LYS 464 HN LYS 464 -2.662 7.077 -6.790 270 HA LYS 464 HA LYS 464 0.179 7.731 -6.804 271 HB2 LYS 464 HB2 LYS 464 -0.632 6.066 -8.431 272 HB3 LYS 464 HB1 LYS 464 -1.729 7.263 -9.107 273 HG2 LYS 464 HG2 LYS 464 0.199 8.640 -9.757 274 HG3 LYS 464 HG1 LYS 464 1.279 7.401 -9.121 275 HD2 LYS 464 HD2 LYS 464 -0.743 6.906 -11.302 276 HD3 LYS 464 HD1 LYS 464 0.936 7.348 -11.607 277 HE2 LYS 464 HE2 LYS 464 0.926 5.023 -11.784 278 HE3 LYS 464 HE1 LYS 464 1.538 5.323 -10.160 279 HZ1 LYS 464 HZ1 LYS 464 -1.271 4.606 -10.829 280 HZ2 LYS 464 HZ2 LYS 464 -0.643 4.833 -9.271 281 HZ3 LYS 464 HZ3 LYS 464 -0.102 3.537 -10.219 Start of MODEL 15 1 H1 GLY 428 HT1 GLY 428 -18.264 1.215 -10.920 2 H2 GLY 428 HT2 GLY 428 -19.023 2.036 -9.646 3 H3 GLY 428 HT3 GLY 428 -19.923 1.559 -11.007 4 HA2 GLY 428 HA1 GLY 428 -20.309 0.115 -9.076 5 HA3 GLY 428 HA2 GLY 428 -19.671 -0.738 -10.475 6 H ALA 429 HN ALA 429 -18.170 1.252 -7.934 7 HA ALA 429 HA ALA 429 -16.846 -0.932 -6.691 8 HB1 ALA 429 HB1 ALA 429 -15.137 0.840 -8.447 9 HB2 ALA 429 HB2 ALA 429 -15.489 -0.866 -8.728 10 HB3 ALA 429 HB3 ALA 429 -14.545 -0.382 -7.319 11 H THR 430 HN THR 430 -15.851 -0.313 -4.780 12 HA THR 430 HA THR 430 -15.909 2.575 -4.165 13 HB THR 430 HB THR 430 -16.489 0.427 -2.121 14 HG1 THR 430 HG1 THR 430 -18.054 1.113 -4.145 15 HG21 THR 430 HG21 THR 430 -15.784 2.622 -1.270 16 HG22 THR 430 HG22 THR 430 -17.471 2.297 -0.877 17 HG23 THR 430 HG23 THR 430 -17.070 3.394 -2.197 18 H ALA 431 HN ALA 431 -13.681 1.453 -5.173 19 HA ALA 431 HA ALA 431 -11.921 0.604 -3.055 20 HB1 ALA 431 HB1 ALA 431 -11.323 1.194 -5.956 21 HB2 ALA 431 HB2 ALA 431 -11.694 -0.392 -5.279 22 HB3 ALA 431 HB3 ALA 431 -10.221 0.449 -4.799 23 H VAL 432 HN VAL 432 -12.106 2.438 -1.750 24 HA VAL 432 HA VAL 432 -10.422 4.682 -2.616 25 HB VAL 432 HB VAL 432 -13.044 5.041 -1.145 26 HG11 VAL 432 HG11 VAL 432 -11.361 6.677 -0.505 27 HG12 VAL 432 HG12 VAL 432 -12.638 7.433 -1.462 28 HG13 VAL 432 HG13 VAL 432 -11.078 7.068 -2.201 29 HG21 VAL 432 HG21 VAL 432 -12.336 5.743 -3.991 30 HG22 VAL 432 HG22 VAL 432 -13.844 6.155 -3.173 31 HG23 VAL 432 HG23 VAL 432 -13.439 4.465 -3.481 32 H SER 433 HN SER 433 -8.794 4.820 -1.248 33 HA SER 433 HA SER 433 -7.624 5.205 0.648 34 HB2 SER 433 HB2 SER 433 -10.353 5.554 1.897 35 HB3 SER 433 HB1 SER 433 -8.824 6.080 2.601 36 HG SER 433 HG SER 433 -9.401 7.863 1.567 37 H GLU 434 HN GLU 434 -8.611 2.466 0.013 38 HA GLU 434 HA GLU 434 -8.647 1.205 2.633 39 HB2 GLU 434 HB2 GLU 434 -8.681 -0.914 1.215 40 HB3 GLU 434 HB1 GLU 434 -10.082 0.139 1.108 41 HG2 GLU 434 HG2 GLU 434 -8.912 1.136 -0.950 42 HG3 GLU 434 HG1 GLU 434 -7.908 -0.314 -0.893 43 H TRP 435 HN TRP 435 -6.354 2.509 0.769 44 HA TRP 435 HA TRP 435 -4.307 0.478 1.327 45 HB2 TRP 435 HB2 TRP 435 -4.266 2.863 -0.535 46 HB3 TRP 435 HB1 TRP 435 -2.925 1.749 -0.295 47 HD1 TRP 435 HD1 TRP 435 -6.528 1.775 -1.713 48 HE1 TRP 435 HE1 TRP 435 -6.687 -0.061 -3.504 49 HE3 TRP 435 HE3 TRP 435 -1.903 -0.320 -1.126 50 HZ2 TRP 435 HZ2 TRP 435 -5.059 -2.134 -4.528 51 HZ3 TRP 435 HZ3 TRP 435 -1.283 -2.221 -2.548 52 HH2 TRP 435 HH2 TRP 435 -2.828 -3.112 -4.216 53 H THR 436 HN THR 436 -2.926 0.832 2.931 54 HA THR 436 HA THR 436 -2.482 3.613 3.828 55 HB THR 436 HB THR 436 -2.003 1.199 5.554 56 HG1 THR 436 HG1 THR 436 -4.350 1.913 4.600 57 HG21 THR 436 HG21 THR 436 -2.344 2.816 7.367 58 HG22 THR 436 HG22 THR 436 -2.648 4.084 6.180 59 HG23 THR 436 HG23 THR 436 -1.055 3.337 6.284 60 H GLU 437 HN GLU 437 -0.334 4.235 4.238 61 HA GLU 437 HA GLU 437 1.629 2.547 2.860 62 HB2 GLU 437 HB2 GLU 437 1.204 4.953 2.152 63 HB3 GLU 437 HB1 GLU 437 1.975 5.427 3.652 64 HG2 GLU 437 HG2 GLU 437 4.022 4.357 2.976 65 HG3 GLU 437 HG1 GLU 437 3.258 3.783 1.496 66 H TYR 438 HN TYR 438 3.121 1.527 3.960 67 HA TYR 438 HA TYR 438 3.827 2.493 6.658 68 HB2 TYR 438 HB2 TYR 438 3.707 -0.374 5.694 69 HB3 TYR 438 HB1 TYR 438 4.219 0.146 7.295 70 HD1 TYR 438 HD1 TYR 438 2.459 1.487 8.673 71 HD2 TYR 438 HD2 TYR 438 1.498 -0.963 5.330 72 HE1 TYR 438 HE1 TYR 438 0.141 1.321 9.470 73 HE2 TYR 438 HE2 TYR 438 -0.827 -1.132 6.115 74 HH TYR 438 HH TYR 438 -2.065 -0.926 8.264 75 H LYS 439 HN LYS 439 6.031 2.290 7.250 76 HA LYS 439 HA LYS 439 7.818 2.043 4.930 77 HB2 LYS 439 HB2 LYS 439 7.875 4.183 6.178 78 HB3 LYS 439 HB1 LYS 439 8.350 3.308 7.629 79 HG2 LYS 439 HG2 LYS 439 10.301 4.280 6.664 80 HG3 LYS 439 HG1 LYS 439 10.382 2.533 6.417 81 HD2 LYS 439 HD2 LYS 439 10.972 3.303 4.302 82 HD3 LYS 439 HD1 LYS 439 9.251 3.060 4.124 83 HE2 LYS 439 HE2 LYS 439 10.056 5.227 3.207 84 HE3 LYS 439 HE1 LYS 439 8.794 5.404 4.424 85 HZ1 LYS 439 HZ1 LYS 439 11.640 5.589 5.191 86 HZ2 LYS 439 HZ2 LYS 439 10.282 6.257 5.959 87 HZ3 LYS 439 HZ3 LYS 439 10.853 6.924 4.510 88 H THR 440 HN THR 440 9.340 0.506 4.821 89 HA THR 440 HA THR 440 9.594 -1.421 6.988 90 HB THR 440 HB THR 440 11.180 -2.556 5.357 91 HG1 THR 440 HG1 THR 440 11.662 -1.540 3.575 92 HG21 THR 440 HG21 THR 440 9.378 -3.402 3.929 93 HG22 THR 440 HG22 THR 440 8.353 -2.053 4.419 94 HG23 THR 440 HG23 THR 440 8.846 -3.262 5.606 95 H ALA 441 HN ALA 441 11.618 -1.953 7.936 96 HA ALA 441 HA ALA 441 13.026 0.323 8.801 97 HB1 ALA 441 HB1 ALA 441 12.689 -1.655 10.176 98 HB2 ALA 441 HB2 ALA 441 14.396 -1.224 10.069 99 HB3 ALA 441 HB3 ALA 441 13.767 -2.574 9.125 100 H ASP 442 HN ASP 442 13.430 -1.181 5.864 101 HA ASP 442 HA ASP 442 16.299 -0.610 5.758 102 HB2 ASP 442 HB2 ASP 442 16.364 -1.727 3.663 103 HB3 ASP 442 HB1 ASP 442 15.342 -2.710 4.704 104 H GLY 443 HN GLY 443 13.550 1.098 5.552 105 HA2 GLY 443 HA2 GLY 443 13.456 3.383 5.040 106 HA3 GLY 443 HA1 GLY 443 14.889 3.200 4.040 107 H LYS 444 HN LYS 444 11.629 1.754 4.069 108 HA LYS 444 HA LYS 444 11.203 2.720 1.331 109 HB2 LYS 444 HB2 LYS 444 11.433 -0.038 2.251 110 HB3 LYS 444 HB1 LYS 444 10.194 0.391 1.115 111 HG2 LYS 444 HG2 LYS 444 11.918 1.266 -0.421 112 HG3 LYS 444 HG1 LYS 444 13.150 0.803 0.755 113 HD2 LYS 444 HD2 LYS 444 12.361 -1.555 0.551 114 HD3 LYS 444 HD1 LYS 444 11.289 -1.039 -0.752 115 HE2 LYS 444 HE2 LYS 444 13.349 -1.991 -1.636 116 HE3 LYS 444 HE1 LYS 444 13.228 -0.275 -2.038 117 HZ1 LYS 444 HZ1 LYS 444 14.777 -1.352 0.257 118 HZ2 LYS 444 HZ2 LYS 444 14.757 0.249 -0.298 119 HZ3 LYS 444 HZ3 LYS 444 15.454 -0.964 -1.252 120 H THR 445 HN THR 445 9.170 3.344 0.973 121 HA THR 445 HA THR 445 7.084 2.652 2.876 122 HB THR 445 HB THR 445 5.791 4.163 1.077 123 HG1 THR 445 HG1 THR 445 7.308 4.712 -0.346 124 HG21 THR 445 HG21 THR 445 6.375 6.124 2.482 125 HG22 THR 445 HG22 THR 445 7.622 5.148 3.263 126 HG23 THR 445 HG23 THR 445 5.921 4.699 3.413 127 H TYR 446 HN TYR 446 5.269 1.447 2.409 128 HA TYR 446 HA TYR 446 4.941 0.441 -0.315 129 HB2 TYR 446 HB2 TYR 446 4.713 -1.877 0.376 130 HB3 TYR 446 HB1 TYR 446 6.293 -1.275 0.845 131 HD1 TYR 446 HD1 TYR 446 6.866 -0.995 3.202 132 HD2 TYR 446 HD2 TYR 446 3.056 -2.483 2.031 133 HE1 TYR 446 HE1 TYR 446 6.488 -1.811 5.492 134 HE2 TYR 446 HE2 TYR 446 2.663 -3.292 4.316 135 HH TYR 446 HH TYR 446 4.631 -2.406 6.965 136 H TYR 447 HN TYR 447 2.827 -0.272 -0.784 137 HA TYR 447 HA TYR 447 0.881 0.982 1.003 138 HB2 TYR 447 HB2 TYR 447 0.713 0.280 -1.932 139 HB3 TYR 447 HB1 TYR 447 -0.599 0.997 -1.001 140 HD1 TYR 447 HD2 TYR 447 0.234 3.135 0.417 141 HD2 TYR 447 HD1 TYR 447 1.960 1.751 -3.214 142 HE1 TYR 447 HE2 TYR 447 1.164 5.370 0.019 143 HE2 TYR 447 HE1 TYR 447 2.895 3.988 -3.629 144 HH TYR 447 HH TYR 447 2.992 6.402 -1.228 145 H TYR 448 HN TYR 448 -0.339 -0.185 2.194 146 HA TYR 448 HA TYR 448 -0.792 -3.016 1.533 147 HB2 TYR 448 HB2 TYR 448 0.374 -2.423 3.667 148 HB3 TYR 448 HB1 TYR 448 -1.078 -1.595 4.192 149 HD1 TYR 448 HD1 TYR 448 -3.243 -3.093 4.345 150 HD2 TYR 448 HD2 TYR 448 0.722 -4.621 4.199 151 HE1 TYR 448 HE1 TYR 448 -4.016 -5.191 5.381 152 HE2 TYR 448 HE2 TYR 448 -0.038 -6.715 5.225 153 HH TYR 448 HH TYR 448 -3.244 -7.623 5.476 154 H ASN 449 HN ASN 449 -2.708 -3.386 0.680 155 HA ASN 449 HA ASN 449 -4.967 -1.644 1.317 156 HB2 ASN 449 HB2 ASN 449 -4.659 -2.349 -1.049 157 HB3 ASN 449 HB1 ASN 449 -4.860 -4.018 -0.558 158 HD21 ASN 449 HD21 ASN 449 -6.486 -2.211 -2.363 159 HD22 ASN 449 HD22 ASN 449 -8.103 -2.343 -1.774 160 H ASN 450 HN ASN 450 -6.484 -2.178 2.715 161 HA ASN 450 HA ASN 450 -5.995 -4.389 4.438 162 HB2 ASN 450 HB2 ASN 450 -8.216 -2.340 4.343 163 HB3 ASN 450 HB1 ASN 450 -8.093 -3.581 5.591 164 HD21 ASN 450 HD21 ASN 450 -6.732 -0.643 4.315 165 HD22 ASN 450 HD22 ASN 450 -5.713 -0.295 5.667 166 H ARG 451 HN ARG 451 -8.607 -3.731 2.029 167 HA ARG 451 HA ARG 451 -9.827 -6.246 2.884 168 HB2 ARG 451 HB2 ARG 451 -10.746 -4.317 0.752 169 HB3 ARG 451 HB1 ARG 451 -11.674 -5.646 1.431 170 HG2 ARG 451 HG2 ARG 451 -11.696 -4.538 3.598 171 HG3 ARG 451 HG1 ARG 451 -10.736 -3.213 2.933 172 HD2 ARG 451 HD2 ARG 451 -13.504 -4.039 2.065 173 HD3 ARG 451 HD1 ARG 451 -13.085 -2.602 2.996 174 HE ARG 451 HE ARG 451 -11.634 -2.524 0.613 175 HH11 ARG 451 HH11 ARG 451 -14.965 -2.337 1.689 176 HH12 ARG 451 HH12 ARG 451 -15.475 -1.367 0.339 177 HH21 ARG 451 HH21 ARG 451 -12.285 -1.246 -1.163 178 HH22 ARG 451 HH22 ARG 451 -13.951 -0.749 -1.278 179 H THR 452 HN THR 452 -7.562 -5.321 0.477 180 HA THR 452 HA THR 452 -8.018 -7.858 -0.879 181 HB THR 452 HB THR 452 -5.962 -7.414 -2.137 182 HG1 THR 452 HG1 THR 452 -4.916 -5.380 -1.823 183 HG21 THR 452 HG21 THR 452 -6.729 -5.453 -3.387 184 HG22 THR 452 HG22 THR 452 -7.822 -5.033 -2.066 185 HG23 THR 452 HG23 THR 452 -8.075 -6.519 -2.983 186 H ASP 453 HN ASP 453 -5.996 -6.318 1.458 187 HA ASP 453 HA ASP 453 -4.670 -7.045 3.131 188 HB2 ASP 453 HB2 ASP 453 -6.342 -8.885 3.392 189 HB3 ASP 453 HB1 ASP 453 -5.387 -9.854 2.289 190 H GLU 454 HN GLU 454 -3.738 -6.364 0.561 191 HA GLU 454 HA GLU 454 -1.446 -8.203 0.247 192 HB2 GLU 454 HB2 GLU 454 -1.334 -7.673 -2.059 193 HB3 GLU 454 HB1 GLU 454 -3.027 -7.983 -1.717 194 HG2 GLU 454 HG2 GLU 454 -3.501 -5.621 -1.688 195 HG3 GLU 454 HG1 GLU 454 -1.790 -5.248 -1.904 196 H SER 455 HN SER 455 0.612 -7.341 -0.044 197 HA SER 455 HA SER 455 0.902 -4.472 0.585 198 HB2 SER 455 HB2 SER 455 2.941 -6.612 1.217 199 HB3 SER 455 HB1 SER 455 2.878 -4.959 1.828 200 HG SER 455 HG SER 455 0.586 -6.192 2.415 201 H THR 456 HN THR 456 1.596 -3.391 -1.176 202 HA THR 456 HA THR 456 3.654 -4.636 -2.833 203 HB THR 456 HB THR 456 1.638 -5.201 -4.015 204 HG1 THR 456 HG1 THR 456 2.289 -4.443 -5.953 205 HG21 THR 456 HG21 THR 456 0.121 -3.547 -3.107 206 HG22 THR 456 HG22 THR 456 0.106 -3.467 -4.868 207 HG23 THR 456 HG23 THR 456 0.988 -2.256 -3.938 208 H TRP 457 HN TRP 457 4.923 -3.220 -4.019 209 HA TRP 457 HA TRP 457 5.121 -0.558 -2.894 210 HB2 TRP 457 HB2 TRP 457 6.886 -1.688 -5.061 211 HB3 TRP 457 HB1 TRP 457 7.283 -0.481 -3.843 212 HD1 TRP 457 HD1 TRP 457 7.028 -4.258 -4.349 213 HE1 TRP 457 HE1 TRP 457 8.117 -5.445 -2.344 214 HE3 TRP 457 HE3 TRP 457 7.797 -0.211 -1.317 215 HZ2 TRP 457 HZ2 TRP 457 9.168 -4.764 0.180 216 HZ3 TRP 457 HZ3 TRP 457 8.847 -0.569 0.879 217 HH2 TRP 457 HH2 TRP 457 9.516 -2.800 1.608 218 H GLU 458 HN GLU 458 3.397 -1.935 -5.310 219 HA GLU 458 HA GLU 458 3.747 0.044 -7.387 220 HB2 GLU 458 HB2 GLU 458 2.995 -2.515 -7.473 221 HB3 GLU 458 HB1 GLU 458 1.400 -1.814 -7.265 222 HG2 GLU 458 HG2 GLU 458 3.296 -1.034 -9.465 223 HG3 GLU 458 HG1 GLU 458 2.078 -2.291 -9.624 224 H LYS 459 HN LYS 459 2.233 1.689 -7.888 225 HA LYS 459 HA LYS 459 1.071 2.753 -5.453 226 HB2 LYS 459 HB2 LYS 459 2.566 3.984 -7.192 227 HB3 LYS 459 HB1 LYS 459 1.070 4.163 -8.099 228 HG2 LYS 459 HG2 LYS 459 0.059 5.374 -6.270 229 HG3 LYS 459 HG1 LYS 459 1.492 5.112 -5.272 230 HD2 LYS 459 HD2 LYS 459 2.771 6.288 -7.174 231 HD3 LYS 459 HD1 LYS 459 1.181 6.843 -7.704 232 HE2 LYS 459 HE2 LYS 459 2.342 7.281 -4.957 233 HE3 LYS 459 HE1 LYS 459 2.358 8.469 -6.259 234 HZ1 LYS 459 HZ1 LYS 459 -0.012 8.573 -6.218 235 HZ2 LYS 459 HZ2 LYS 459 0.551 8.770 -4.631 236 HZ3 LYS 459 HZ3 LYS 459 -0.112 7.293 -5.112 237 HA PRO 460 HA PRO 460 -3.055 1.275 -6.455 238 HB2 PRO 460 HB2 PRO 460 -4.174 3.049 -4.595 239 HB3 PRO 460 HB1 PRO 460 -3.716 1.377 -4.289 240 HG2 PRO 460 HG2 PRO 460 -2.242 3.889 -3.694 241 HG3 PRO 460 HG1 PRO 460 -2.295 2.370 -2.779 242 HD2 PRO 460 HD2 PRO 460 -0.166 3.040 -4.248 243 HD3 PRO 460 HD1 PRO 460 -0.720 1.354 -4.144 244 H GLN 461 HN GLN 461 -4.750 2.056 -7.649 245 HA GLN 461 HA GLN 461 -4.298 4.544 -9.026 246 HB2 GLN 461 HB2 GLN 461 -6.471 2.469 -9.276 247 HB3 GLN 461 HB1 GLN 461 -6.367 3.901 -10.289 248 HG2 GLN 461 HG2 GLN 461 -4.322 1.699 -10.106 249 HG3 GLN 461 HG1 GLN 461 -5.464 1.958 -11.424 250 HE21 GLN 461 HE21 GLN 461 -2.521 2.997 -9.931 251 HE22 GLN 461 HE22 GLN 461 -2.014 4.064 -11.195 252 H GLU 462 HN GLU 462 -6.116 3.562 -6.301 253 HA GLU 462 HA GLU 462 -7.911 5.851 -6.436 254 HB2 GLU 462 HB2 GLU 462 -8.677 5.054 -4.186 255 HB3 GLU 462 HB1 GLU 462 -8.871 3.880 -5.475 256 HG2 GLU 462 HG2 GLU 462 -6.440 3.798 -3.758 257 HG3 GLU 462 HG1 GLU 462 -7.964 3.134 -3.169 258 H LEU 463 HN LEU 463 -4.825 5.101 -5.319 259 HA LEU 463 HA LEU 463 -4.707 7.616 -3.787 260 HB2 LEU 463 HB2 LEU 463 -4.357 5.516 -2.441 261 HB3 LEU 463 HB1 LEU 463 -2.956 5.173 -3.435 262 HG LEU 463 HG LEU 463 -1.861 7.212 -2.611 263 HD11 LEU 463 HD11 LEU 463 -3.853 8.561 -2.208 264 HD12 LEU 463 HD12 LEU 463 -2.847 8.472 -0.762 265 HD13 LEU 463 HD13 LEU 463 -4.315 7.500 -0.876 266 HD21 LEU 463 HD21 LEU 463 -1.481 5.118 -1.439 267 HD22 LEU 463 HD22 LEU 463 -2.903 5.400 -0.433 268 HD23 LEU 463 HD23 LEU 463 -1.503 6.466 -0.302 269 H LYS 464 HN LYS 464 -4.546 7.375 -6.558 270 HA LYS 464 HA LYS 464 -1.839 7.109 -7.455 271 HB2 LYS 464 HB2 LYS 464 -3.880 6.498 -8.776 272 HB3 LYS 464 HB1 LYS 464 -4.239 8.209 -8.923 273 HG2 LYS 464 HG2 LYS 464 -2.214 8.563 -10.185 274 HG3 LYS 464 HG1 LYS 464 -1.752 6.871 -9.964 275 HD2 LYS 464 HD2 LYS 464 -3.782 6.177 -11.156 276 HD3 LYS 464 HD1 LYS 464 -4.210 7.870 -11.397 277 HE2 LYS 464 HE2 LYS 464 -2.194 8.208 -12.711 278 HE3 LYS 464 HE1 LYS 464 -1.719 6.531 -12.438 279 HZ1 LYS 464 HZ1 LYS 464 -4.219 7.356 -13.813 280 HZ2 LYS 464 HZ2 LYS 464 -3.612 5.783 -13.664 281 HZ3 LYS 464 HZ3 LYS 464 -2.789 6.919 -14.612 Start of MODEL 16 1 H1 GLY 428 HT1 GLY 428 1.404 8.788 3.561 2 H2 GLY 428 HT2 GLY 428 0.099 7.974 2.869 3 H3 GLY 428 HT3 GLY 428 -0.148 8.988 4.207 4 HA2 GLY 428 HA1 GLY 428 0.573 10.906 2.864 5 HA3 GLY 428 HA2 GLY 428 0.673 9.825 1.478 6 H ALA 429 HN ALA 429 -1.406 8.491 1.160 7 HA ALA 429 HA ALA 429 -3.750 10.188 1.717 8 HB1 ALA 429 HB1 ALA 429 -3.279 8.419 -0.684 9 HB2 ALA 429 HB2 ALA 429 -3.195 10.182 -0.670 10 HB3 ALA 429 HB3 ALA 429 -4.732 9.369 -0.368 11 H THR 430 HN THR 430 -5.745 9.031 2.104 12 HA THR 430 HA THR 430 -5.212 6.487 3.429 13 HB THR 430 HB THR 430 -7.802 8.024 3.546 14 HG1 THR 430 HG1 THR 430 -5.797 8.290 5.522 15 HG21 THR 430 HG21 THR 430 -8.008 6.914 5.727 16 HG22 THR 430 HG22 THR 430 -6.452 6.121 5.470 17 HG23 THR 430 HG23 THR 430 -7.823 5.732 4.430 18 H ALA 431 HN ALA 431 -6.563 7.684 0.595 19 HA ALA 431 HA ALA 431 -7.833 6.825 -1.100 20 HB1 ALA 431 HB1 ALA 431 -5.707 5.637 -1.342 21 HB2 ALA 431 HB2 ALA 431 -7.073 4.669 -1.898 22 HB3 ALA 431 HB3 ALA 431 -6.328 4.331 -0.334 23 H VAL 432 HN VAL 432 -9.798 7.106 0.158 24 HA VAL 432 HA VAL 432 -11.675 6.492 1.255 25 HB VAL 432 HB VAL 432 -13.050 4.793 0.119 26 HG11 VAL 432 HG11 VAL 432 -12.938 7.027 -0.805 27 HG12 VAL 432 HG12 VAL 432 -13.071 5.838 -2.099 28 HG13 VAL 432 HG13 VAL 432 -11.514 6.590 -1.750 29 HG21 VAL 432 HG21 VAL 432 -12.191 3.594 -1.836 30 HG22 VAL 432 HG22 VAL 432 -11.355 3.114 -0.359 31 HG23 VAL 432 HG23 VAL 432 -10.572 4.209 -1.498 32 H SER 433 HN SER 433 -9.651 5.790 2.659 33 HA SER 433 HA SER 433 -8.864 4.569 4.379 34 HB2 SER 433 HB2 SER 433 -11.714 3.602 4.593 35 HB3 SER 433 HB1 SER 433 -10.524 3.626 5.892 36 HG SER 433 HG SER 433 -12.213 5.478 5.430 37 H GLU 434 HN GLU 434 -9.171 3.185 1.723 38 HA GLU 434 HA GLU 434 -9.328 0.394 2.563 39 HB2 GLU 434 HB2 GLU 434 -10.421 1.362 0.419 40 HB3 GLU 434 HB1 GLU 434 -8.810 1.241 -0.262 41 HG2 GLU 434 HG2 GLU 434 -8.765 -1.131 0.166 42 HG3 GLU 434 HG1 GLU 434 -10.338 -1.043 0.959 43 H TRP 435 HN TRP 435 -7.017 2.728 1.402 44 HA TRP 435 HA TRP 435 -4.912 0.661 1.421 45 HB2 TRP 435 HB2 TRP 435 -5.182 3.134 -0.297 46 HB3 TRP 435 HB1 TRP 435 -3.710 2.182 -0.187 47 HD1 TRP 435 HD1 TRP 435 -7.271 2.034 -1.619 48 HE1 TRP 435 HE1 TRP 435 -7.347 0.180 -3.404 49 HE3 TRP 435 HE3 TRP 435 -2.623 0.016 -0.905 50 HZ2 TRP 435 HZ2 TRP 435 -5.664 -1.859 -4.383 51 HZ3 TRP 435 HZ3 TRP 435 -1.935 -1.883 -2.312 52 HH2 TRP 435 HH2 TRP 435 -3.426 -2.800 -4.014 53 H THR 436 HN THR 436 -2.967 1.153 2.391 54 HA THR 436 HA THR 436 -2.423 3.886 3.238 55 HB THR 436 HB THR 436 -2.077 1.679 5.249 56 HG1 THR 436 HG1 THR 436 -4.399 3.019 4.520 57 HG21 THR 436 HG21 THR 436 -2.263 4.684 5.491 58 HG22 THR 436 HG22 THR 436 -0.792 3.717 5.605 59 HG23 THR 436 HG23 THR 436 -2.046 3.565 6.836 60 H GLU 437 HN GLU 437 -0.168 4.269 3.398 61 HA GLU 437 HA GLU 437 1.461 1.975 2.563 62 HB2 GLU 437 HB2 GLU 437 2.767 3.295 1.187 63 HB3 GLU 437 HB1 GLU 437 1.174 3.981 0.958 64 HG2 GLU 437 HG2 GLU 437 3.389 5.112 2.643 65 HG3 GLU 437 HG1 GLU 437 2.871 5.692 1.070 66 H TYR 438 HN TYR 438 3.039 1.316 3.829 67 HA TYR 438 HA TYR 438 3.727 3.001 6.151 68 HB2 TYR 438 HB2 TYR 438 3.624 -0.017 5.938 69 HB3 TYR 438 HB1 TYR 438 4.193 0.869 7.347 70 HD1 TYR 438 HD1 TYR 438 2.587 2.296 8.623 71 HD2 TYR 438 HD2 TYR 438 1.309 -0.386 5.578 72 HE1 TYR 438 HE1 TYR 438 0.299 2.379 9.518 73 HE2 TYR 438 HE2 TYR 438 -0.982 -0.308 6.460 74 HH TYR 438 HH TYR 438 -1.996 1.985 8.773 75 H LYS 439 HN LYS 439 5.869 3.223 6.701 76 HA LYS 439 HA LYS 439 7.783 2.438 4.647 77 HB2 LYS 439 HB2 LYS 439 7.706 4.766 5.658 78 HB3 LYS 439 HB1 LYS 439 8.308 4.057 7.149 79 HG2 LYS 439 HG2 LYS 439 10.205 4.927 6.113 80 HG3 LYS 439 HG1 LYS 439 10.268 3.206 5.749 81 HD2 LYS 439 HD2 LYS 439 10.807 4.209 3.705 82 HD3 LYS 439 HD1 LYS 439 9.113 3.808 3.510 83 HE2 LYS 439 HE2 LYS 439 10.369 6.510 4.066 84 HE3 LYS 439 HE1 LYS 439 9.405 6.025 2.678 85 HZ1 LYS 439 HZ1 LYS 439 8.092 7.414 4.063 86 HZ2 LYS 439 HZ2 LYS 439 8.454 6.511 5.448 87 HZ3 LYS 439 HZ3 LYS 439 7.485 5.842 4.231 88 H THR 440 HN THR 440 9.124 0.825 4.842 89 HA THR 440 HA THR 440 9.076 -0.844 7.214 90 HB THR 440 HB THR 440 10.498 -2.356 5.718 91 HG1 THR 440 HG1 THR 440 11.070 -1.579 3.842 92 HG21 THR 440 HG21 THR 440 7.723 -1.593 4.811 93 HG22 THR 440 HG22 THR 440 8.125 -2.766 6.064 94 HG23 THR 440 HG23 THR 440 8.557 -3.085 4.384 95 H ALA 441 HN ALA 441 10.973 -1.537 8.278 96 HA ALA 441 HA ALA 441 12.743 0.387 9.084 97 HB1 ALA 441 HB1 ALA 441 13.287 -2.573 8.989 98 HB2 ALA 441 HB2 ALA 441 12.350 -1.738 10.228 99 HB3 ALA 441 HB3 ALA 441 14.071 -1.397 10.042 100 H ASP 442 HN ASP 442 12.956 -1.400 6.102 101 HA ASP 442 HA ASP 442 15.760 -0.826 5.700 102 HB2 ASP 442 HB2 ASP 442 15.351 -1.689 3.384 103 HB3 ASP 442 HB1 ASP 442 14.941 -2.825 4.663 104 H GLY 443 HN GLY 443 13.003 0.988 5.568 105 HA2 GLY 443 HA2 GLY 443 13.074 3.306 5.332 106 HA3 GLY 443 HA1 GLY 443 14.533 3.152 4.375 107 H LYS 444 HN LYS 444 11.433 1.493 3.765 108 HA LYS 444 HA LYS 444 10.819 3.462 1.664 109 HB2 LYS 444 HB2 LYS 444 10.650 0.549 1.214 110 HB3 LYS 444 HB1 LYS 444 10.260 1.829 0.106 111 HG2 LYS 444 HG2 LYS 444 13.040 1.342 1.113 112 HG3 LYS 444 HG1 LYS 444 12.406 0.630 -0.372 113 HD2 LYS 444 HD2 LYS 444 11.835 3.039 -1.052 114 HD3 LYS 444 HD1 LYS 444 12.922 3.523 0.252 115 HE2 LYS 444 HE2 LYS 444 13.601 1.809 -2.131 116 HE3 LYS 444 HE1 LYS 444 14.122 3.468 -1.845 117 HZ1 LYS 444 HZ1 LYS 444 15.809 1.751 -1.332 118 HZ2 LYS 444 HZ2 LYS 444 14.819 1.187 -0.073 119 HZ3 LYS 444 HZ3 LYS 444 15.448 2.762 -0.023 120 H THR 445 HN THR 445 8.639 3.498 0.994 121 HA THR 445 HA THR 445 6.775 2.348 2.911 122 HB THR 445 HB THR 445 5.185 3.751 1.269 123 HG1 THR 445 HG1 THR 445 6.325 5.627 0.594 124 HG21 THR 445 HG21 THR 445 5.393 5.616 2.857 125 HG22 THR 445 HG22 THR 445 6.890 4.912 3.472 126 HG23 THR 445 HG23 THR 445 5.362 4.055 3.679 127 H TYR 446 HN TYR 446 5.232 0.895 2.417 128 HA TYR 446 HA TYR 446 5.099 -0.073 -0.361 129 HB2 TYR 446 HB2 TYR 446 4.764 -2.331 0.405 130 HB3 TYR 446 HB1 TYR 446 6.216 -1.715 1.181 131 HD1 TYR 446 HD1 TYR 446 6.188 -1.175 3.590 132 HD2 TYR 446 HD2 TYR 446 2.831 -2.946 1.677 133 HE1 TYR 446 HE1 TYR 446 5.290 -1.826 5.784 134 HE2 TYR 446 HE2 TYR 446 1.919 -3.596 3.864 135 HH TYR 446 HH TYR 446 3.252 -2.432 6.836 136 H TYR 447 HN TYR 447 3.045 -0.596 -1.120 137 HA TYR 447 HA TYR 447 0.981 0.916 0.260 138 HB2 TYR 447 HB2 TYR 447 0.923 -0.312 -2.503 139 HB3 TYR 447 HB1 TYR 447 -0.203 0.879 -1.850 140 HD1 TYR 447 HD1 TYR 447 1.287 2.953 -0.707 141 HD2 TYR 447 HD2 TYR 447 2.340 0.599 -4.089 142 HE1 TYR 447 HE1 TYR 447 2.743 4.768 -1.499 143 HE2 TYR 447 HE2 TYR 447 3.795 2.408 -4.898 144 HH TYR 447 HH TYR 447 4.725 5.018 -2.978 145 H TYR 448 HN TYR 448 -0.345 -0.057 1.559 146 HA TYR 448 HA TYR 448 -0.820 -2.942 1.227 147 HB2 TYR 448 HB2 TYR 448 0.353 -2.375 3.293 148 HB3 TYR 448 HB1 TYR 448 -0.890 -1.199 3.700 149 HD1 TYR 448 HD2 TYR 448 -0.754 -4.820 2.749 150 HD2 TYR 448 HD1 TYR 448 -2.356 -1.853 5.342 151 HE1 TYR 448 HE2 TYR 448 -2.012 -6.555 3.949 152 HE2 TYR 448 HE1 TYR 448 -3.622 -3.579 6.547 153 HH TYR 448 HH TYR 448 -3.185 -7.003 5.855 154 H ASN 449 HN ASN 449 -2.786 -3.454 0.524 155 HA ASN 449 HA ASN 449 -5.063 -1.729 1.194 156 HB2 ASN 449 HB2 ASN 449 -4.894 -2.670 -1.126 157 HB3 ASN 449 HB1 ASN 449 -5.047 -4.279 -0.438 158 HD21 ASN 449 HD21 ASN 449 -6.724 -1.340 -1.225 159 HD22 ASN 449 HD22 ASN 449 -8.309 -1.949 -0.941 160 H ASN 450 HN ASN 450 -6.420 -2.234 2.804 161 HA ASN 450 HA ASN 450 -5.520 -4.201 4.647 162 HB2 ASN 450 HB2 ASN 450 -7.975 -2.438 4.669 163 HB3 ASN 450 HB1 ASN 450 -7.503 -3.480 6.004 164 HD21 ASN 450 HD21 ASN 450 -6.757 -0.595 4.215 165 HD22 ASN 450 HD22 ASN 450 -5.618 0.045 5.345 166 H ARG 451 HN ARG 451 -8.466 -4.069 2.582 167 HA ARG 451 HA ARG 451 -9.303 -6.539 3.884 168 HB2 ARG 451 HB2 ARG 451 -10.709 -4.909 1.771 169 HB3 ARG 451 HB1 ARG 451 -11.406 -6.238 2.691 170 HG2 ARG 451 HG2 ARG 451 -11.191 -4.973 4.742 171 HG3 ARG 451 HG1 ARG 451 -10.395 -3.662 3.871 172 HD2 ARG 451 HD2 ARG 451 -13.204 -4.625 3.358 173 HD3 ARG 451 HD1 ARG 451 -12.780 -3.217 4.332 174 HE ARG 451 HE ARG 451 -11.651 -3.049 1.724 175 HH11 ARG 451 HH11 ARG 451 -14.645 -2.684 3.489 176 HH12 ARG 451 HH12 ARG 451 -15.310 -1.524 2.379 177 HH21 ARG 451 HH21 ARG 451 -12.527 -1.501 0.241 178 HH22 ARG 451 HH22 ARG 451 -14.116 -0.852 0.557 179 H THR 452 HN THR 452 -7.517 -5.745 1.085 180 HA THR 452 HA THR 452 -7.907 -8.451 0.091 181 HB THR 452 HB THR 452 -6.085 -7.964 -1.488 182 HG1 THR 452 HG1 THR 452 -5.262 -5.808 -1.548 183 HG21 THR 452 HG21 THR 452 -8.372 -7.408 -2.121 184 HG22 THR 452 HG22 THR 452 -7.244 -6.229 -2.792 185 HG23 THR 452 HG23 THR 452 -8.206 -5.819 -1.374 186 H ASP 453 HN ASP 453 -5.767 -6.526 2.004 187 HA ASP 453 HA ASP 453 -4.090 -6.949 3.445 188 HB2 ASP 453 HB2 ASP 453 -5.431 -8.795 4.307 189 HB3 ASP 453 HB1 ASP 453 -4.840 -9.845 3.036 190 H GLU 454 HN GLU 454 -3.682 -6.498 0.726 191 HA GLU 454 HA GLU 454 -1.435 -8.264 0.038 192 HB2 GLU 454 HB2 GLU 454 -1.624 -7.494 -2.207 193 HB3 GLU 454 HB1 GLU 454 -3.252 -7.842 -1.648 194 HG2 GLU 454 HG2 GLU 454 -3.614 -5.452 -1.252 195 HG3 GLU 454 HG1 GLU 454 -1.992 -5.117 -1.854 196 H SER 455 HN SER 455 0.621 -7.568 -0.005 197 HA SER 455 HA SER 455 1.115 -4.717 0.529 198 HB2 SER 455 HB2 SER 455 3.029 -7.048 0.831 199 HB3 SER 455 HB1 SER 455 3.305 -5.386 1.347 200 HG SER 455 HG SER 455 1.000 -6.333 2.382 201 H THR 456 HN THR 456 1.353 -3.666 -1.352 202 HA THR 456 HA THR 456 2.904 -4.996 -3.476 203 HB THR 456 HB THR 456 0.486 -4.853 -4.023 204 HG1 THR 456 HG1 THR 456 0.825 -4.078 -6.092 205 HG21 THR 456 HG21 THR 456 0.947 -1.871 -3.925 206 HG22 THR 456 HG22 THR 456 -0.082 -2.804 -2.838 207 HG23 THR 456 HG23 THR 456 -0.501 -2.664 -4.546 208 H TRP 457 HN TRP 457 4.229 -3.665 -4.785 209 HA TRP 457 HA TRP 457 4.994 -1.156 -3.455 210 HB2 TRP 457 HB2 TRP 457 6.578 -2.919 -5.336 211 HB3 TRP 457 HB1 TRP 457 7.175 -1.447 -4.572 212 HD1 TRP 457 HD1 TRP 457 6.240 -5.072 -3.745 213 HE1 TRP 457 HE1 TRP 457 7.252 -5.688 -1.461 214 HE3 TRP 457 HE3 TRP 457 7.995 -0.466 -2.373 215 HZ2 TRP 457 HZ2 TRP 457 8.621 -4.384 0.644 216 HZ3 TRP 457 HZ3 TRP 457 9.141 -0.238 -0.210 217 HH2 TRP 457 HH2 TRP 457 9.447 -2.154 1.268 218 H GLU 458 HN GLU 458 3.062 -2.070 -5.824 219 HA GLU 458 HA GLU 458 3.871 -0.014 -7.746 220 HB2 GLU 458 HB2 GLU 458 3.180 -2.336 -8.508 221 HB3 GLU 458 HB1 GLU 458 1.553 -1.941 -7.970 222 HG2 GLU 458 HG2 GLU 458 1.850 -1.621 -10.383 223 HG3 GLU 458 HG1 GLU 458 1.425 -0.124 -9.550 224 H LYS 459 HN LYS 459 2.696 1.846 -8.035 225 HA LYS 459 HA LYS 459 1.120 2.602 -5.762 226 HB2 LYS 459 HB2 LYS 459 2.651 4.222 -6.601 227 HB3 LYS 459 HB1 LYS 459 1.970 4.118 -8.220 228 HG2 LYS 459 HG2 LYS 459 -0.022 5.208 -7.552 229 HG3 LYS 459 HG1 LYS 459 0.395 5.064 -5.846 230 HD2 LYS 459 HD2 LYS 459 2.176 6.576 -7.710 231 HD3 LYS 459 HD1 LYS 459 0.720 7.333 -7.062 232 HE2 LYS 459 HE2 LYS 459 1.574 6.622 -4.766 233 HE3 LYS 459 HE1 LYS 459 3.109 6.287 -5.566 234 HZ1 LYS 459 HZ1 LYS 459 1.712 8.910 -5.570 235 HZ2 LYS 459 HZ2 LYS 459 3.219 8.579 -6.279 236 HZ3 LYS 459 HZ3 LYS 459 3.042 8.511 -4.592 237 HA PRO 460 HA PRO 460 -2.822 1.563 -7.615 238 HB2 PRO 460 HB2 PRO 460 -3.877 2.696 -5.121 239 HB3 PRO 460 HB1 PRO 460 -4.005 1.048 -5.739 240 HG2 PRO 460 HG2 PRO 460 -2.482 1.650 -3.608 241 HG3 PRO 460 HG1 PRO 460 -2.026 0.383 -4.764 242 HD2 PRO 460 HD2 PRO 460 -1.027 3.203 -4.554 243 HD3 PRO 460 HD1 PRO 460 -0.118 1.700 -4.834 244 H GLN 461 HN GLN 461 -4.536 2.735 -8.468 245 HA GLN 461 HA GLN 461 -3.928 5.412 -9.158 246 HB2 GLN 461 HB2 GLN 461 -6.152 5.388 -10.299 247 HB3 GLN 461 HB1 GLN 461 -5.076 4.084 -10.772 248 HG2 GLN 461 HG2 GLN 461 -7.153 3.680 -8.655 249 HG3 GLN 461 HG1 GLN 461 -7.552 3.556 -10.367 250 HE21 GLN 461 HE21 GLN 461 -7.518 1.553 -8.196 251 HE22 GLN 461 HE22 GLN 461 -6.513 0.267 -8.772 252 H GLU 462 HN GLU 462 -5.745 4.076 -6.550 253 HA GLU 462 HA GLU 462 -7.063 6.625 -6.028 254 HB2 GLU 462 HB2 GLU 462 -7.988 5.448 -4.014 255 HB3 GLU 462 HB1 GLU 462 -8.427 4.723 -5.548 256 HG2 GLU 462 HG2 GLU 462 -6.072 3.679 -4.049 257 HG3 GLU 462 HG1 GLU 462 -7.702 3.234 -3.551 258 H LEU 463 HN LEU 463 -4.076 5.320 -5.483 259 HA LEU 463 HA LEU 463 -3.702 6.877 -3.005 260 HB2 LEU 463 HB2 LEU 463 -3.557 4.401 -2.736 261 HB3 LEU 463 HB1 LEU 463 -2.208 4.393 -3.852 262 HG LEU 463 HG LEU 463 -0.893 5.748 -2.285 263 HD11 LEU 463 HD11 LEU 463 -1.716 6.157 -0.026 264 HD12 LEU 463 HD12 LEU 463 -3.281 5.471 -0.466 265 HD13 LEU 463 HD13 LEU 463 -2.726 6.961 -1.228 266 HD21 LEU 463 HD21 LEU 463 -2.110 3.288 -1.046 267 HD22 LEU 463 HD22 LEU 463 -0.588 4.038 -0.564 268 HD23 LEU 463 HD23 LEU 463 -0.750 3.321 -2.169 269 H LYS 464 HN LYS 464 -3.228 7.194 -6.113 270 HA LYS 464 HA LYS 464 -0.454 7.477 -6.424 271 HB2 LYS 464 HB2 LYS 464 -1.131 8.939 -8.439 272 HB3 LYS 464 HB1 LYS 464 -1.524 7.231 -8.443 273 HG2 LYS 464 HG2 LYS 464 -3.425 8.268 -9.284 274 HG3 LYS 464 HG1 LYS 464 -3.830 7.939 -7.599 275 HD2 LYS 464 HD2 LYS 464 -3.408 10.228 -6.998 276 HD3 LYS 464 HD1 LYS 464 -2.799 10.585 -8.615 277 HE2 LYS 464 HE2 LYS 464 -5.088 11.396 -8.292 278 HE3 LYS 464 HE1 LYS 464 -4.995 10.177 -9.561 279 HZ1 LYS 464 HZ1 LYS 464 -5.878 9.674 -6.762 280 HZ2 LYS 464 HZ2 LYS 464 -5.832 8.532 -8.016 281 HZ3 LYS 464 HZ3 LYS 464 -6.907 9.838 -8.102 Start of MODEL 17 1 H1 GLY 428 HT1 GLY 428 -9.064 10.210 -10.291 2 H2 GLY 428 HT2 GLY 428 -10.662 10.266 -10.855 3 H3 GLY 428 HT3 GLY 428 -9.990 8.792 -10.351 4 HA2 GLY 428 HA1 GLY 428 -10.523 11.140 -8.611 5 HA3 GLY 428 HA2 GLY 428 -11.501 9.682 -8.682 6 H ALA 429 HN ALA 429 -8.247 10.876 -7.938 7 HA ALA 429 HA ALA 429 -7.754 8.467 -6.346 8 HB1 ALA 429 HB1 ALA 429 -5.993 9.162 -7.898 9 HB2 ALA 429 HB2 ALA 429 -5.443 9.229 -6.222 10 HB3 ALA 429 HB3 ALA 429 -5.877 10.714 -7.070 11 H THR 430 HN THR 430 -7.272 8.545 -4.174 12 HA THR 430 HA THR 430 -7.004 10.789 -2.573 13 HB THR 430 HB THR 430 -9.310 11.350 -3.259 14 HG1 THR 430 HG1 THR 430 -8.404 11.602 -0.968 15 HG21 THR 430 HG21 THR 430 -11.190 9.961 -2.496 16 HG22 THR 430 HG22 THR 430 -10.051 8.744 -1.925 17 HG23 THR 430 HG23 THR 430 -10.170 9.100 -3.647 18 H ALA 431 HN ALA 431 -7.703 7.536 -3.076 19 HA ALA 431 HA ALA 431 -7.529 5.616 -1.892 20 HB1 ALA 431 HB1 ALA 431 -5.278 6.429 -1.407 21 HB2 ALA 431 HB2 ALA 431 -5.941 5.524 -0.046 22 HB3 ALA 431 HB3 ALA 431 -5.888 7.286 0.010 23 H VAL 432 HN VAL 432 -9.336 4.845 -1.031 24 HA VAL 432 HA VAL 432 -10.837 6.423 0.859 25 HB VAL 432 HB VAL 432 -11.548 3.648 -0.084 26 HG11 VAL 432 HG11 VAL 432 -13.243 5.983 0.793 27 HG12 VAL 432 HG12 VAL 432 -12.913 4.521 1.722 28 HG13 VAL 432 HG13 VAL 432 -13.854 4.426 0.232 29 HG21 VAL 432 HG21 VAL 432 -12.756 4.675 -1.958 30 HG22 VAL 432 HG22 VAL 432 -11.018 4.967 -2.066 31 HG23 VAL 432 HG23 VAL 432 -12.098 6.250 -1.514 32 H SER 433 HN SER 433 -8.600 5.912 1.980 33 HA SER 433 HA SER 433 -7.440 5.025 3.698 34 HB2 SER 433 HB2 SER 433 -10.229 4.702 4.804 35 HB3 SER 433 HB1 SER 433 -8.748 4.711 5.765 36 HG SER 433 HG SER 433 -8.412 6.855 4.629 37 H GLU 434 HN GLU 434 -8.570 3.098 1.690 38 HA GLU 434 HA GLU 434 -8.520 0.623 3.213 39 HB2 GLU 434 HB2 GLU 434 -8.985 -0.487 1.049 40 HB3 GLU 434 HB1 GLU 434 -10.191 0.714 1.485 41 HG2 GLU 434 HG2 GLU 434 -9.196 2.293 -0.065 42 HG3 GLU 434 HG1 GLU 434 -7.947 1.115 -0.479 43 H TRP 435 HN TRP 435 -6.466 2.603 1.356 44 HA TRP 435 HA TRP 435 -4.390 0.525 1.294 45 HB2 TRP 435 HB2 TRP 435 -4.730 3.086 -0.270 46 HB3 TRP 435 HB1 TRP 435 -3.205 2.211 -0.221 47 HD1 TRP 435 HD1 TRP 435 -6.656 2.122 -1.813 48 HE1 TRP 435 HE1 TRP 435 -6.711 0.257 -3.587 49 HE3 TRP 435 HE3 TRP 435 -2.198 -0.145 -0.740 50 HZ2 TRP 435 HZ2 TRP 435 -5.077 -1.892 -4.415 51 HZ3 TRP 435 HZ3 TRP 435 -1.519 -2.097 -2.068 52 HH2 TRP 435 HH2 TRP 435 -2.930 -2.953 -3.869 53 H THR 436 HN THR 436 -3.113 0.599 3.006 54 HA THR 436 HA THR 436 -2.556 3.219 4.238 55 HB THR 436 HB THR 436 -2.235 0.519 5.545 56 HG1 THR 436 HG1 THR 436 -4.490 2.246 5.344 57 HG21 THR 436 HG21 THR 436 -2.505 3.302 6.688 58 HG22 THR 436 HG22 THR 436 -1.013 2.364 6.594 59 HG23 THR 436 HG23 THR 436 -2.339 1.815 7.622 60 H GLU 437 HN GLU 437 -0.427 3.689 4.882 61 HA GLU 437 HA GLU 437 1.611 2.229 3.349 62 HB2 GLU 437 HB2 GLU 437 1.615 5.023 4.490 63 HB3 GLU 437 HB1 GLU 437 3.017 4.268 3.753 64 HG2 GLU 437 HG2 GLU 437 1.640 4.000 1.675 65 HG3 GLU 437 HG1 GLU 437 0.445 5.054 2.437 66 H TYR 438 HN TYR 438 3.190 1.169 4.331 67 HA TYR 438 HA TYR 438 3.844 1.864 7.118 68 HB2 TYR 438 HB2 TYR 438 3.965 -0.911 5.933 69 HB3 TYR 438 HB1 TYR 438 4.379 -0.469 7.578 70 HD1 TYR 438 HD1 TYR 438 2.641 0.061 9.204 71 HD2 TYR 438 HD2 TYR 438 1.651 -1.154 5.251 72 HE1 TYR 438 HE1 TYR 438 0.333 -0.370 9.921 73 HE2 TYR 438 HE2 TYR 438 -0.664 -1.590 5.960 74 HH TYR 438 HH TYR 438 -1.915 -2.074 8.009 75 H LYS 439 HN LYS 439 5.908 2.463 7.348 76 HA LYS 439 HA LYS 439 7.662 2.214 5.027 77 HB2 LYS 439 HB2 LYS 439 7.379 4.416 6.219 78 HB3 LYS 439 HB1 LYS 439 8.201 3.708 7.603 79 HG2 LYS 439 HG2 LYS 439 9.887 4.872 6.511 80 HG3 LYS 439 HG1 LYS 439 10.117 3.217 5.950 81 HD2 LYS 439 HD2 LYS 439 10.315 4.571 4.000 82 HD3 LYS 439 HD1 LYS 439 8.726 3.837 3.910 83 HE2 LYS 439 HE2 LYS 439 8.561 6.174 3.327 84 HE3 LYS 439 HE1 LYS 439 7.725 5.894 4.851 85 HZ1 LYS 439 HZ1 LYS 439 9.048 7.917 4.903 86 HZ2 LYS 439 HZ2 LYS 439 10.453 7.037 4.565 87 HZ3 LYS 439 HZ3 LYS 439 9.639 6.794 6.031 88 H THR 440 HN THR 440 9.093 0.664 4.867 89 HA THR 440 HA THR 440 9.804 -0.928 7.192 90 HB THR 440 HB THR 440 11.116 -2.230 5.365 91 HG1 THR 440 HG1 THR 440 11.050 -1.176 3.513 92 HG21 THR 440 HG21 THR 440 8.098 -2.106 5.317 93 HG22 THR 440 HG22 THR 440 9.080 -3.052 6.437 94 HG23 THR 440 HG23 THR 440 9.084 -3.440 4.717 95 H ALA 441 HN ALA 441 11.958 -1.348 7.779 96 HA ALA 441 HA ALA 441 13.473 0.862 8.311 97 HB1 ALA 441 HB1 ALA 441 15.229 -0.637 9.013 98 HB2 ALA 441 HB2 ALA 441 14.512 -1.952 8.079 99 HB3 ALA 441 HB3 ALA 441 13.654 -1.284 9.470 100 H ASP 442 HN ASP 442 13.503 -0.835 5.274 101 HA ASP 442 HA ASP 442 16.105 0.071 4.478 102 HB2 ASP 442 HB2 ASP 442 15.633 -0.813 2.332 103 HB3 ASP 442 HB1 ASP 442 14.855 -1.904 3.473 104 H GLY 443 HN GLY 443 13.248 1.640 5.007 105 HA2 GLY 443 HA2 GLY 443 13.083 3.960 5.017 106 HA3 GLY 443 HA1 GLY 443 14.367 4.050 3.829 107 H LYS 444 HN LYS 444 11.430 2.093 3.517 108 HA LYS 444 HA LYS 444 10.138 4.170 1.930 109 HB2 LYS 444 HB2 LYS 444 10.412 1.470 0.800 110 HB3 LYS 444 HB1 LYS 444 9.717 2.877 0.054 111 HG2 LYS 444 HG2 LYS 444 12.031 3.879 0.059 112 HG3 LYS 444 HG1 LYS 444 12.624 2.277 0.511 113 HD2 LYS 444 HD2 LYS 444 11.085 2.997 -1.984 114 HD3 LYS 444 HD1 LYS 444 12.792 2.565 -1.888 115 HE2 LYS 444 HE2 LYS 444 10.542 0.733 -1.079 116 HE3 LYS 444 HE1 LYS 444 11.282 0.734 -2.676 117 HZ1 LYS 444 HZ1 LYS 444 12.739 0.224 -0.131 118 HZ2 LYS 444 HZ2 LYS 444 13.384 0.140 -1.697 119 HZ3 LYS 444 HZ3 LYS 444 12.207 -0.975 -1.209 120 H THR 445 HN THR 445 7.926 3.748 1.448 121 HA THR 445 HA THR 445 6.669 1.956 3.367 122 HB THR 445 HB THR 445 4.534 3.046 2.529 123 HG1 THR 445 HG1 THR 445 4.697 4.850 1.266 124 HG21 THR 445 HG21 THR 445 4.889 5.102 3.810 125 HG22 THR 445 HG22 THR 445 6.629 4.823 3.775 126 HG23 THR 445 HG23 THR 445 5.572 3.700 4.630 127 H TYR 446 HN TYR 446 5.563 0.167 2.855 128 HA TYR 446 HA TYR 446 5.139 -0.410 0.011 129 HB2 TYR 446 HB2 TYR 446 4.800 -2.733 0.636 130 HB3 TYR 446 HB1 TYR 446 6.331 -2.167 1.285 131 HD1 TYR 446 HD1 TYR 446 6.624 -1.879 3.702 132 HD2 TYR 446 HD2 TYR 446 2.980 -3.380 2.089 133 HE1 TYR 446 HE1 TYR 446 5.982 -2.708 5.926 134 HE2 TYR 446 HE2 TYR 446 2.337 -4.204 4.313 135 HH TYR 446 HH TYR 446 3.426 -4.868 6.423 136 H TYR 447 HN TYR 447 3.070 -0.801 -0.750 137 HA TYR 447 HA TYR 447 1.061 0.538 0.867 138 HB2 TYR 447 HB2 TYR 447 1.078 -0.232 -2.056 139 HB3 TYR 447 HB1 TYR 447 -0.230 0.640 -1.254 140 HD1 TYR 447 HD2 TYR 447 0.725 2.696 0.224 141 HD2 TYR 447 HD1 TYR 447 2.545 1.104 -3.269 142 HE1 TYR 447 HE2 TYR 447 1.909 4.817 -0.107 143 HE2 TYR 447 HE1 TYR 447 3.737 3.230 -3.621 144 HH TYR 447 HH TYR 447 3.820 5.701 -1.221 145 H TYR 448 HN TYR 448 -0.336 -0.501 1.983 146 HA TYR 448 HA TYR 448 -0.863 -3.326 1.360 147 HB2 TYR 448 HB2 TYR 448 0.348 -2.762 3.483 148 HB3 TYR 448 HB1 TYR 448 -1.092 -1.929 4.030 149 HD1 TYR 448 HD2 TYR 448 -3.161 -3.269 4.523 150 HD2 TYR 448 HD1 TYR 448 0.564 -5.103 3.610 151 HE1 TYR 448 HE2 TYR 448 -3.951 -5.376 5.527 152 HE2 TYR 448 HE1 TYR 448 -0.207 -7.199 4.616 153 HH TYR 448 HH TYR 448 -3.434 -7.816 5.394 154 H ASN 449 HN ASN 449 -2.806 -3.632 0.546 155 HA ASN 449 HA ASN 449 -4.977 -1.782 1.190 156 HB2 ASN 449 HB2 ASN 449 -4.727 -2.641 -1.164 157 HB3 ASN 449 HB1 ASN 449 -5.128 -4.243 -0.559 158 HD21 ASN 449 HD21 ASN 449 -6.364 -1.150 -1.444 159 HD22 ASN 449 HD22 ASN 449 -8.042 -1.505 -1.195 160 H ASN 450 HN ASN 450 -6.519 -2.226 2.619 161 HA ASN 450 HA ASN 450 -6.016 -4.463 4.330 162 HB2 ASN 450 HB2 ASN 450 -8.033 -2.227 4.474 163 HB3 ASN 450 HB1 ASN 450 -7.915 -3.503 5.682 164 HD21 ASN 450 HD21 ASN 450 -6.425 -0.656 4.362 165 HD22 ASN 450 HD22 ASN 450 -5.240 -0.458 5.604 166 H ARG 451 HN ARG 451 -8.747 -3.584 2.137 167 HA ARG 451 HA ARG 451 -10.143 -5.940 3.155 168 HB2 ARG 451 HB2 ARG 451 -11.090 -4.098 0.973 169 HB3 ARG 451 HB1 ARG 451 -12.058 -5.137 2.009 170 HG2 ARG 451 HG2 ARG 451 -11.726 -3.730 3.880 171 HG3 ARG 451 HG1 ARG 451 -10.470 -2.807 3.047 172 HD2 ARG 451 HD2 ARG 451 -13.394 -2.922 2.319 173 HD3 ARG 451 HD1 ARG 451 -12.558 -1.566 3.074 174 HE ARG 451 HE ARG 451 -11.189 -1.535 0.938 175 HH11 ARG 451 HH11 ARG 451 -14.495 -2.671 1.045 176 HH12 ARG 451 HH12 ARG 451 -14.822 -2.268 -0.613 177 HH21 ARG 451 HH21 ARG 451 -11.583 -1.014 -1.242 178 HH22 ARG 451 HH22 ARG 451 -13.167 -1.305 -1.913 179 H THR 452 HN THR 452 -8.034 -5.308 0.491 180 HA THR 452 HA THR 452 -8.852 -7.828 -0.717 181 HB THR 452 HB THR 452 -6.859 -7.581 -2.160 182 HG1 THR 452 HG1 THR 452 -5.570 -5.787 -2.004 183 HG21 THR 452 HG21 THR 452 -7.645 -5.642 -3.433 184 HG22 THR 452 HG22 THR 452 -8.613 -5.127 -2.051 185 HG23 THR 452 HG23 THR 452 -8.992 -6.638 -2.879 186 H ASP 453 HN ASP 453 -6.555 -6.455 1.416 187 HA ASP 453 HA ASP 453 -4.962 -7.192 2.795 188 HB2 ASP 453 HB2 ASP 453 -6.663 -8.893 3.465 189 HB3 ASP 453 HB1 ASP 453 -5.955 -9.994 2.294 190 H GLU 454 HN GLU 454 -3.730 -6.399 0.939 191 HA GLU 454 HA GLU 454 -1.865 -8.485 0.080 192 HB2 GLU 454 HB2 GLU 454 -1.864 -7.779 -2.220 193 HB3 GLU 454 HB1 GLU 454 -3.510 -8.187 -1.760 194 HG2 GLU 454 HG2 GLU 454 -4.076 -5.854 -1.557 195 HG3 GLU 454 HG1 GLU 454 -2.406 -5.391 -1.885 196 H SER 455 HN SER 455 0.228 -7.751 -0.363 197 HA SER 455 HA SER 455 0.769 -4.941 0.364 198 HB2 SER 455 HB2 SER 455 2.674 -7.270 0.667 199 HB3 SER 455 HB1 SER 455 2.851 -5.643 1.323 200 HG SER 455 HG SER 455 0.520 -6.837 2.083 201 H THR 456 HN THR 456 1.386 -3.760 -1.339 202 HA THR 456 HA THR 456 3.114 -5.011 -3.367 203 HB THR 456 HB THR 456 0.859 -4.945 -4.299 204 HG1 THR 456 HG1 THR 456 1.347 -3.683 -6.165 205 HG21 THR 456 HG21 THR 456 -0.311 -2.829 -4.669 206 HG22 THR 456 HG22 THR 456 0.958 -1.971 -3.795 207 HG23 THR 456 HG23 THR 456 -0.066 -3.131 -2.949 208 H TRP 457 HN TRP 457 4.653 -3.624 -4.301 209 HA TRP 457 HA TRP 457 5.160 -1.228 -2.714 210 HB2 TRP 457 HB2 TRP 457 6.879 -2.680 -4.736 211 HB3 TRP 457 HB1 TRP 457 7.378 -1.238 -3.856 212 HD1 TRP 457 HD1 TRP 457 6.751 -4.974 -3.370 213 HE1 TRP 457 HE1 TRP 457 7.759 -5.706 -1.117 214 HE3 TRP 457 HE3 TRP 457 7.990 -0.372 -1.518 215 HZ2 TRP 457 HZ2 TRP 457 8.927 -4.484 1.140 216 HZ3 TRP 457 HZ3 TRP 457 9.046 -0.245 0.698 217 HH2 TRP 457 HH2 TRP 457 9.507 -2.259 1.999 218 H GLU 458 HN GLU 458 3.519 -1.928 -5.473 219 HA GLU 458 HA GLU 458 4.302 0.486 -6.915 220 HB2 GLU 458 HB2 GLU 458 3.887 -1.645 -8.145 221 HB3 GLU 458 HB1 GLU 458 2.207 -1.572 -7.636 222 HG2 GLU 458 HG2 GLU 458 2.603 -0.767 -9.951 223 HG3 GLU 458 HG1 GLU 458 1.833 0.418 -8.897 224 H LYS 459 HN LYS 459 2.905 2.206 -7.287 225 HA LYS 459 HA LYS 459 1.258 2.796 -5.022 226 HB2 LYS 459 HB2 LYS 459 2.803 4.375 -6.369 227 HB3 LYS 459 HB1 LYS 459 1.459 4.495 -7.495 228 HG2 LYS 459 HG2 LYS 459 0.029 5.289 -5.639 229 HG3 LYS 459 HG1 LYS 459 1.444 5.262 -4.584 230 HD2 LYS 459 HD2 LYS 459 2.553 6.792 -6.284 231 HD3 LYS 459 HD1 LYS 459 0.950 6.987 -6.995 232 HE2 LYS 459 HE2 LYS 459 0.139 7.713 -4.735 233 HE3 LYS 459 HE1 LYS 459 1.820 7.711 -4.204 234 HZ1 LYS 459 HZ1 LYS 459 1.425 9.901 -4.812 235 HZ2 LYS 459 HZ2 LYS 459 0.506 9.479 -6.169 236 HZ3 LYS 459 HZ3 LYS 459 2.190 9.263 -6.190 237 HA PRO 460 HA PRO 460 -2.621 1.161 -6.614 238 HB2 PRO 460 HB2 PRO 460 -4.055 2.800 -4.835 239 HB3 PRO 460 HB1 PRO 460 -3.574 1.128 -4.563 240 HG2 PRO 460 HG2 PRO 460 -2.304 3.644 -3.627 241 HG3 PRO 460 HG1 PRO 460 -2.384 2.061 -2.834 242 HD2 PRO 460 HD2 PRO 460 -0.131 2.938 -3.977 243 HD3 PRO 460 HD1 PRO 460 -0.598 1.226 -4.045 244 H GLN 461 HN GLN 461 -4.181 1.891 -8.001 245 HA GLN 461 HA GLN 461 -3.710 4.311 -9.358 246 HB2 GLN 461 HB2 GLN 461 -5.791 3.822 -10.605 247 HB3 GLN 461 HB1 GLN 461 -4.634 2.505 -10.599 248 HG2 GLN 461 HG2 GLN 461 -6.801 2.500 -8.566 249 HG3 GLN 461 HG1 GLN 461 -7.204 2.100 -10.235 250 HE21 GLN 461 HE21 GLN 461 -5.702 1.038 -7.321 251 HE22 GLN 461 HE22 GLN 461 -5.288 -0.554 -7.885 252 H GLU 462 HN GLU 462 -5.648 3.566 -6.623 253 HA GLU 462 HA GLU 462 -7.270 5.963 -6.871 254 HB2 GLU 462 HB2 GLU 462 -8.172 5.229 -4.621 255 HB3 GLU 462 HB1 GLU 462 -8.420 4.101 -5.943 256 HG2 GLU 462 HG2 GLU 462 -6.046 3.764 -4.191 257 HG3 GLU 462 HG1 GLU 462 -7.634 3.268 -3.612 258 H LEU 463 HN LEU 463 -4.157 5.445 -5.964 259 HA LEU 463 HA LEU 463 -4.253 7.591 -3.941 260 HB2 LEU 463 HB2 LEU 463 -3.622 5.419 -2.995 261 HB3 LEU 463 HB1 LEU 463 -2.296 5.300 -4.132 262 HG LEU 463 HG LEU 463 -1.251 7.286 -3.080 263 HD11 LEU 463 HD11 LEU 463 -2.092 8.059 -0.908 264 HD12 LEU 463 HD12 LEU 463 -3.508 7.024 -1.101 265 HD13 LEU 463 HD13 LEU 463 -3.240 8.371 -2.209 266 HD21 LEU 463 HD21 LEU 463 -1.897 5.021 -1.199 267 HD22 LEU 463 HD22 LEU 463 -0.565 6.163 -1.013 268 HD23 LEU 463 HD23 LEU 463 -0.590 5.052 -2.384 269 H LYS 464 HN LYS 464 -3.546 7.158 -7.055 270 HA LYS 464 HA LYS 464 -0.860 7.933 -7.341 271 HB2 LYS 464 HB2 LYS 464 -3.152 8.315 -9.271 272 HB3 LYS 464 HB1 LYS 464 -1.447 8.497 -9.672 273 HG2 LYS 464 HG2 LYS 464 -2.808 5.985 -8.759 274 HG3 LYS 464 HG1 LYS 464 -2.247 6.338 -10.394 275 HD2 LYS 464 HD2 LYS 464 -0.445 6.233 -7.981 276 HD3 LYS 464 HD1 LYS 464 -0.734 4.856 -9.043 277 HE2 LYS 464 HE2 LYS 464 0.302 7.508 -10.015 278 HE3 LYS 464 HE1 LYS 464 1.354 6.189 -9.504 279 HZ1 LYS 464 HZ1 LYS 464 -0.567 6.178 -11.771 280 HZ2 LYS 464 HZ2 LYS 464 0.228 4.791 -11.202 281 HZ3 LYS 464 HZ3 LYS 464 1.127 6.076 -11.846 Start of MODEL 18 1 H1 GLY 428 HT1 GLY 428 3.754 8.252 11.851 2 H2 GLY 428 HT2 GLY 428 3.520 6.931 10.813 3 H3 GLY 428 HT3 GLY 428 2.185 7.744 11.465 4 HA2 GLY 428 HA1 GLY 428 2.693 9.722 10.239 5 HA3 GLY 428 HA2 GLY 428 4.160 8.975 9.627 6 H ALA 429 HN ALA 429 1.189 7.152 9.961 7 HA ALA 429 HA ALA 429 1.180 6.752 7.068 8 HB1 ALA 429 HB1 ALA 429 1.064 4.782 8.526 9 HB2 ALA 429 HB2 ALA 429 -0.379 4.932 7.526 10 HB3 ALA 429 HB3 ALA 429 -0.436 5.391 9.227 11 H THR 430 HN THR 430 -0.555 7.280 5.743 12 HA THR 430 HA THR 430 -2.339 9.302 6.847 13 HB THR 430 HB THR 430 -2.363 8.617 3.955 14 HG1 THR 430 HG1 THR 430 -0.204 8.724 4.105 15 HG21 THR 430 HG21 THR 430 -2.613 11.050 3.725 16 HG22 THR 430 HG22 THR 430 -2.421 11.233 5.468 17 HG23 THR 430 HG23 THR 430 -3.822 10.381 4.820 18 H ALA 431 HN ALA 431 -2.254 6.201 5.500 19 HA ALA 431 HA ALA 431 -3.779 4.607 4.941 20 HB1 ALA 431 HB1 ALA 431 -5.616 4.263 6.505 21 HB2 ALA 431 HB2 ALA 431 -5.362 5.873 7.176 22 HB3 ALA 431 HB3 ALA 431 -4.121 4.633 7.360 23 H VAL 432 HN VAL 432 -4.069 5.678 2.897 24 HA VAL 432 HA VAL 432 -6.336 7.372 2.477 25 HB VAL 432 HB VAL 432 -4.480 7.682 1.001 26 HG11 VAL 432 HG11 VAL 432 -3.459 5.486 1.165 27 HG12 VAL 432 HG12 VAL 432 -3.668 5.948 -0.524 28 HG13 VAL 432 HG13 VAL 432 -4.772 4.787 0.215 29 HG21 VAL 432 HG21 VAL 432 -5.507 7.426 -1.203 30 HG22 VAL 432 HG22 VAL 432 -6.672 8.014 -0.015 31 HG23 VAL 432 HG23 VAL 432 -6.703 6.324 -0.520 32 H SER 433 HN SER 433 -8.118 6.314 3.196 33 HA SER 433 HA SER 433 -9.936 4.941 3.103 34 HB2 SER 433 HB2 SER 433 -9.892 5.653 0.702 35 HB3 SER 433 HB1 SER 433 -8.941 4.213 0.345 36 HG SER 433 HG SER 433 -11.154 3.850 -0.046 37 H GLU 434 HN GLU 434 -9.685 2.521 1.344 38 HA GLU 434 HA GLU 434 -9.087 0.599 3.285 39 HB2 GLU 434 HB2 GLU 434 -9.099 -0.965 1.270 40 HB3 GLU 434 HB1 GLU 434 -10.558 -0.030 1.575 41 HG2 GLU 434 HG2 GLU 434 -9.745 1.619 -0.115 42 HG3 GLU 434 HG1 GLU 434 -8.437 0.498 -0.490 43 H TRP 435 HN TRP 435 -6.900 2.432 1.475 44 HA TRP 435 HA TRP 435 -4.823 0.353 1.593 45 HB2 TRP 435 HB2 TRP 435 -4.975 2.951 0.057 46 HB3 TRP 435 HB1 TRP 435 -3.506 1.989 0.172 47 HD1 TRP 435 HD1 TRP 435 -6.980 1.973 -1.438 48 HE1 TRP 435 HE1 TRP 435 -6.988 0.241 -3.344 49 HE3 TRP 435 HE3 TRP 435 -2.426 -0.186 -0.583 50 HZ2 TRP 435 HZ2 TRP 435 -5.290 -1.784 -4.338 51 HZ3 TRP 435 HZ3 TRP 435 -1.693 -2.015 -2.054 52 HH2 TRP 435 HH2 TRP 435 -3.097 -2.802 -3.889 53 H THR 436 HN THR 436 -3.267 0.472 3.084 54 HA THR 436 HA THR 436 -2.772 3.087 4.366 55 HB THR 436 HB THR 436 -2.226 0.445 5.697 56 HG1 THR 436 HG1 THR 436 -4.652 1.704 5.258 57 HG21 THR 436 HG21 THR 436 -1.145 2.429 6.637 58 HG22 THR 436 HG22 THR 436 -2.370 1.797 7.740 59 HG23 THR 436 HG23 THR 436 -2.712 3.228 6.767 60 H GLU 437 HN GLU 437 -0.582 3.631 4.747 61 HA GLU 437 HA GLU 437 1.282 1.976 3.192 62 HB2 GLU 437 HB2 GLU 437 2.526 3.935 2.622 63 HB3 GLU 437 HB1 GLU 437 0.843 4.225 2.243 64 HG2 GLU 437 HG2 GLU 437 2.128 5.195 4.763 65 HG3 GLU 437 HG1 GLU 437 2.138 6.123 3.273 66 H TYR 438 HN TYR 438 3.001 1.161 4.132 67 HA TYR 438 HA TYR 438 3.805 2.168 6.785 68 HB2 TYR 438 HB2 TYR 438 3.724 -0.715 5.855 69 HB3 TYR 438 HB1 TYR 438 4.389 -0.167 7.388 70 HD1 TYR 438 HD1 TYR 438 2.752 1.088 8.972 71 HD2 TYR 438 HD2 TYR 438 1.486 -1.344 5.715 72 HE1 TYR 438 HE1 TYR 438 0.547 0.823 10.032 73 HE2 TYR 438 HE2 TYR 438 -0.718 -1.611 6.766 74 HH TYR 438 HH TYR 438 -1.812 0.289 9.303 75 H LYS 439 HN LYS 439 6.033 2.220 7.182 76 HA LYS 439 HA LYS 439 7.687 1.925 4.769 77 HB2 LYS 439 HB2 LYS 439 7.684 4.193 5.607 78 HB3 LYS 439 HB1 LYS 439 8.075 3.640 7.229 79 HG2 LYS 439 HG2 LYS 439 10.081 4.484 6.365 80 HG3 LYS 439 HG1 LYS 439 10.231 2.732 6.244 81 HD2 LYS 439 HD2 LYS 439 10.946 3.277 4.124 82 HD3 LYS 439 HD1 LYS 439 9.234 3.170 3.810 83 HE2 LYS 439 HE2 LYS 439 10.653 5.753 4.514 84 HE3 LYS 439 HE1 LYS 439 10.331 5.209 2.872 85 HZ1 LYS 439 HZ1 LYS 439 8.258 5.779 4.922 86 HZ2 LYS 439 HZ2 LYS 439 7.977 5.307 3.314 87 HZ3 LYS 439 HZ3 LYS 439 8.691 6.805 3.645 88 H THR 440 HN THR 440 9.370 0.587 4.725 89 HA THR 440 HA THR 440 10.011 -0.998 7.077 90 HB THR 440 HB THR 440 11.630 -2.113 5.429 91 HG1 THR 440 HG1 THR 440 11.835 -0.976 3.646 92 HG21 THR 440 HG21 THR 440 9.492 -3.115 6.048 93 HG22 THR 440 HG22 THR 440 9.835 -3.383 4.338 94 HG23 THR 440 HG23 THR 440 8.673 -2.149 4.823 95 H ALA 441 HN ALA 441 12.186 -1.146 7.883 96 HA ALA 441 HA ALA 441 13.196 1.438 8.408 97 HB1 ALA 441 HB1 ALA 441 13.224 -0.399 10.030 98 HB2 ALA 441 HB2 ALA 441 14.815 0.334 9.820 99 HB3 ALA 441 HB3 ALA 441 14.451 -1.218 9.062 100 H ASP 442 HN ASP 442 13.738 -0.338 5.672 101 HA ASP 442 HA ASP 442 16.527 0.490 5.393 102 HB2 ASP 442 HB2 ASP 442 16.595 -0.897 3.399 103 HB3 ASP 442 HB1 ASP 442 15.954 -1.818 4.752 104 H GLY 443 HN GLY 443 13.676 1.920 5.051 105 HA2 GLY 443 HA2 GLY 443 13.434 4.113 4.246 106 HA3 GLY 443 HA1 GLY 443 14.815 3.859 3.190 107 H LYS 444 HN LYS 444 11.735 2.139 3.597 108 HA LYS 444 HA LYS 444 10.888 2.928 0.908 109 HB2 LYS 444 HB2 LYS 444 11.593 0.260 1.822 110 HB3 LYS 444 HB1 LYS 444 10.187 0.471 0.841 111 HG2 LYS 444 HG2 LYS 444 11.709 1.693 -0.813 112 HG3 LYS 444 HG1 LYS 444 13.044 1.044 0.141 113 HD2 LYS 444 HD2 LYS 444 10.895 -0.645 -1.130 114 HD3 LYS 444 HD1 LYS 444 12.461 -0.321 -1.872 115 HE2 LYS 444 HE2 LYS 444 12.184 -1.531 0.865 116 HE3 LYS 444 HE1 LYS 444 12.222 -2.508 -0.603 117 HZ1 LYS 444 HZ1 LYS 444 14.399 -1.974 -1.011 118 HZ2 LYS 444 HZ2 LYS 444 14.402 -2.002 0.690 119 HZ3 LYS 444 HZ3 LYS 444 14.342 -0.525 -0.138 120 H THR 445 HN THR 445 8.753 3.284 0.831 121 HA THR 445 HA THR 445 7.060 2.153 2.939 122 HB THR 445 HB THR 445 5.645 3.849 1.094 123 HG1 THR 445 HG1 THR 445 7.658 4.909 0.828 124 HG21 THR 445 HG21 THR 445 4.853 3.317 3.328 125 HG22 THR 445 HG22 THR 445 5.071 5.059 3.158 126 HG23 THR 445 HG23 THR 445 6.265 4.102 4.037 127 H TYR 446 HN TYR 446 5.134 1.106 2.441 128 HA TYR 446 HA TYR 446 4.768 0.184 -0.296 129 HB2 TYR 446 HB2 TYR 446 4.562 -2.161 0.352 130 HB3 TYR 446 HB1 TYR 446 6.167 -1.557 0.736 131 HD1 TYR 446 HD1 TYR 446 6.881 -1.329 3.064 132 HD2 TYR 446 HD2 TYR 446 3.011 -2.809 2.096 133 HE1 TYR 446 HE1 TYR 446 6.638 -2.186 5.357 134 HE2 TYR 446 HE2 TYR 446 2.756 -3.663 4.386 135 HH TYR 446 HH TYR 446 4.799 -2.776 6.919 136 H TYR 447 HN TYR 447 2.657 -0.465 -0.761 137 HA TYR 447 HA TYR 447 0.758 0.710 1.137 138 HB2 TYR 447 HB2 TYR 447 0.478 0.295 -1.846 139 HB3 TYR 447 HB1 TYR 447 -0.678 1.122 -0.801 140 HD1 TYR 447 HD2 TYR 447 0.964 2.801 0.872 141 HD2 TYR 447 HD1 TYR 447 1.425 1.890 -3.254 142 HE1 TYR 447 HE2 TYR 447 2.176 4.916 0.562 143 HE2 TYR 447 HE1 TYR 447 2.639 4.000 -3.592 144 HH TYR 447 HH TYR 447 3.867 5.845 -1.081 145 H TYR 448 HN TYR 448 -0.519 -0.542 2.189 146 HA TYR 448 HA TYR 448 -1.073 -3.252 1.188 147 HB2 TYR 448 HB2 TYR 448 0.078 -3.414 3.258 148 HB3 TYR 448 HB1 TYR 448 -0.852 -2.102 3.968 149 HD1 TYR 448 HD2 TYR 448 -1.329 -5.549 2.582 150 HD2 TYR 448 HD1 TYR 448 -2.591 -2.610 5.390 151 HE1 TYR 448 HE2 TYR 448 -2.897 -7.167 3.570 152 HE2 TYR 448 HE1 TYR 448 -4.158 -4.220 6.377 153 HH TYR 448 HH TYR 448 -4.192 -7.592 5.448 154 H ASN 449 HN ASN 449 -3.071 -3.566 0.455 155 HA ASN 449 HA ASN 449 -5.235 -1.794 1.295 156 HB2 ASN 449 HB2 ASN 449 -5.045 -2.510 -1.095 157 HB3 ASN 449 HB1 ASN 449 -5.345 -4.160 -0.581 158 HD21 ASN 449 HD21 ASN 449 -6.753 -1.133 -1.322 159 HD22 ASN 449 HD22 ASN 449 -8.403 -1.590 -1.047 160 H ASN 450 HN ASN 450 -6.676 -2.333 2.814 161 HA ASN 450 HA ASN 450 -6.117 -4.656 4.370 162 HB2 ASN 450 HB2 ASN 450 -8.242 -2.525 4.611 163 HB3 ASN 450 HB1 ASN 450 -8.107 -3.871 5.736 164 HD21 ASN 450 HD21 ASN 450 -6.685 -0.905 4.624 165 HD22 ASN 450 HD22 ASN 450 -5.558 -0.724 5.925 166 H ARG 451 HN ARG 451 -8.814 -3.828 2.137 167 HA ARG 451 HA ARG 451 -10.147 -6.269 3.042 168 HB2 ARG 451 HB2 ARG 451 -11.073 -4.380 0.879 169 HB3 ARG 451 HB1 ARG 451 -12.039 -5.537 1.782 170 HG2 ARG 451 HG2 ARG 451 -11.749 -4.226 3.808 171 HG3 ARG 451 HG1 ARG 451 -10.734 -3.078 2.933 172 HD2 ARG 451 HD2 ARG 451 -13.637 -3.679 2.369 173 HD3 ARG 451 HD1 ARG 451 -13.019 -2.243 3.180 174 HE ARG 451 HE ARG 451 -11.795 -2.463 0.655 175 HH11 ARG 451 HH11 ARG 451 -14.916 -1.774 2.084 176 HH12 ARG 451 HH12 ARG 451 -15.451 -0.785 0.759 177 HH21 ARG 451 HH21 ARG 451 -12.491 -1.168 -1.096 178 HH22 ARG 451 HH22 ARG 451 -14.076 -0.447 -1.056 179 H THR 452 HN THR 452 -7.943 -5.451 0.542 180 HA THR 452 HA THR 452 -8.539 -7.958 -0.799 181 HB THR 452 HB THR 452 -6.492 -7.555 -2.106 182 HG1 THR 452 HG1 THR 452 -5.390 -5.586 -1.815 183 HG21 THR 452 HG21 THR 452 -8.354 -5.183 -1.979 184 HG22 THR 452 HG22 THR 452 -8.602 -6.653 -2.921 185 HG23 THR 452 HG23 THR 452 -7.271 -5.568 -3.318 186 H ASP 453 HN ASP 453 -6.365 -6.553 1.489 187 HA ASP 453 HA ASP 453 -4.919 -7.348 3.026 188 HB2 ASP 453 HB2 ASP 453 -6.557 -9.192 3.381 189 HB3 ASP 453 HB1 ASP 453 -5.728 -10.117 2.149 190 H GLU 454 HN GLU 454 -4.196 -6.582 0.416 191 HA GLU 454 HA GLU 454 -1.835 -8.307 -0.003 192 HB2 GLU 454 HB2 GLU 454 -1.823 -7.764 -2.326 193 HB3 GLU 454 HB1 GLU 454 -3.456 -8.266 -1.916 194 HG2 GLU 454 HG2 GLU 454 -4.129 -5.904 -1.825 195 HG3 GLU 454 HG1 GLU 454 -2.494 -5.440 -2.295 196 H SER 455 HN SER 455 0.141 -7.402 0.026 197 HA SER 455 HA SER 455 0.297 -4.485 0.407 198 HB2 SER 455 HB2 SER 455 2.516 -5.043 1.523 199 HB3 SER 455 HB1 SER 455 1.075 -5.584 2.383 200 HG SER 455 HG SER 455 2.446 -7.276 0.577 201 H THR 456 HN THR 456 1.152 -3.394 -1.257 202 HA THR 456 HA THR 456 3.068 -4.797 -2.995 203 HB THR 456 HB THR 456 0.894 -4.844 -4.111 204 HG1 THR 456 HG1 THR 456 1.566 -3.753 -6.054 205 HG21 THR 456 HG21 THR 456 0.977 -1.830 -3.907 206 HG22 THR 456 HG22 THR 456 -0.139 -2.899 -3.060 207 HG23 THR 456 HG23 THR 456 -0.210 -2.764 -4.817 208 H TRP 457 HN TRP 457 4.603 -3.495 -4.037 209 HA TRP 457 HA TRP 457 5.117 -0.946 -2.717 210 HB2 TRP 457 HB2 TRP 457 6.811 -2.390 -4.769 211 HB3 TRP 457 HB1 TRP 457 7.317 -1.059 -3.737 212 HD1 TRP 457 HD1 TRP 457 6.697 -4.816 -3.699 213 HE1 TRP 457 HE1 TRP 457 7.709 -5.809 -1.553 214 HE3 TRP 457 HE3 TRP 457 7.892 -0.470 -1.282 215 HZ2 TRP 457 HZ2 TRP 457 8.858 -4.870 0.850 216 HZ3 TRP 457 HZ3 TRP 457 8.943 -0.604 0.936 217 HH2 TRP 457 HH2 TRP 457 9.415 -2.760 1.980 218 H GLU 458 HN GLU 458 3.357 -1.950 -5.241 219 HA GLU 458 HA GLU 458 4.150 0.101 -7.162 220 HB2 GLU 458 HB2 GLU 458 3.487 -2.444 -7.584 221 HB3 GLU 458 HB1 GLU 458 1.861 -1.780 -7.595 222 HG2 GLU 458 HG2 GLU 458 4.087 -0.808 -9.369 223 HG3 GLU 458 HG1 GLU 458 2.911 -2.033 -9.834 224 H LYS 459 HN LYS 459 2.759 1.769 -7.792 225 HA LYS 459 HA LYS 459 1.118 2.737 -5.640 226 HB2 LYS 459 HB2 LYS 459 2.522 4.318 -6.740 227 HB3 LYS 459 HB1 LYS 459 1.900 3.870 -8.322 228 HG2 LYS 459 HG2 LYS 459 -0.294 4.804 -7.691 229 HG3 LYS 459 HG1 LYS 459 0.395 5.312 -6.147 230 HD2 LYS 459 HD2 LYS 459 1.625 6.154 -8.753 231 HD3 LYS 459 HD1 LYS 459 0.267 7.039 -8.057 232 HE2 LYS 459 HE2 LYS 459 2.785 6.459 -6.511 233 HE3 LYS 459 HE1 LYS 459 2.599 7.897 -7.515 234 HZ1 LYS 459 HZ1 LYS 459 0.638 8.494 -6.211 235 HZ2 LYS 459 HZ2 LYS 459 2.018 8.385 -5.236 236 HZ3 LYS 459 HZ3 LYS 459 0.871 7.142 -5.219 237 HA PRO 460 HA PRO 460 -2.734 1.148 -7.371 238 HB2 PRO 460 HB2 PRO 460 -3.903 2.578 -5.090 239 HB3 PRO 460 HB1 PRO 460 -3.951 0.855 -5.469 240 HG2 PRO 460 HG2 PRO 460 -2.511 1.830 -3.418 241 HG3 PRO 460 HG1 PRO 460 -1.982 0.421 -4.356 242 HD2 PRO 460 HD2 PRO 460 -1.067 3.267 -4.528 243 HD3 PRO 460 HD1 PRO 460 -0.115 1.768 -4.603 244 H GLN 461 HN GLN 461 -4.457 2.115 -8.454 245 HA GLN 461 HA GLN 461 -3.997 4.678 -9.516 246 HB2 GLN 461 HB2 GLN 461 -5.256 2.905 -10.686 247 HB3 GLN 461 HB1 GLN 461 -6.572 3.089 -9.535 248 HG2 GLN 461 HG2 GLN 461 -7.110 4.236 -11.580 249 HG3 GLN 461 HG1 GLN 461 -6.876 5.413 -10.290 250 HE21 GLN 461 HE21 GLN 461 -6.409 7.089 -11.679 251 HE22 GLN 461 HE22 GLN 461 -4.929 7.171 -12.576 252 H GLU 462 HN GLU 462 -5.975 3.609 -6.830 253 HA GLU 462 HA GLU 462 -7.365 6.085 -6.496 254 HB2 GLU 462 HB2 GLU 462 -7.867 5.148 -4.190 255 HB3 GLU 462 HB1 GLU 462 -8.425 4.192 -5.557 256 HG2 GLU 462 HG2 GLU 462 -5.761 3.561 -4.416 257 HG3 GLU 462 HG1 GLU 462 -7.188 3.119 -3.481 258 H LEU 463 HN LEU 463 -4.194 5.179 -5.932 259 HA LEU 463 HA LEU 463 -3.831 7.349 -3.977 260 HB2 LEU 463 HB2 LEU 463 -3.408 5.071 -3.067 261 HB3 LEU 463 HB1 LEU 463 -2.165 4.846 -4.280 262 HG LEU 463 HG LEU 463 -0.788 6.546 -3.288 263 HD11 LEU 463 HD11 LEU 463 -1.467 7.737 -1.256 264 HD12 LEU 463 HD12 LEU 463 -3.067 7.000 -1.363 265 HD13 LEU 463 HD13 LEU 463 -2.522 8.115 -2.617 266 HD21 LEU 463 HD21 LEU 463 -0.378 5.543 -1.092 267 HD22 LEU 463 HD22 LEU 463 -0.641 4.316 -2.333 268 HD23 LEU 463 HD23 LEU 463 -1.927 4.705 -1.190 269 H LYS 464 HN LYS 464 -3.808 7.196 -6.978 270 HA LYS 464 HA LYS 464 -1.284 7.468 -8.071 271 HB2 LYS 464 HB2 LYS 464 -3.233 7.398 -9.478 272 HB3 LYS 464 HB1 LYS 464 -3.874 8.865 -8.754 273 HG2 LYS 464 HG2 LYS 464 -2.995 9.343 -10.946 274 HG3 LYS 464 HG1 LYS 464 -2.006 10.135 -9.721 275 HD2 LYS 464 HD2 LYS 464 -0.418 8.212 -9.876 276 HD3 LYS 464 HD1 LYS 464 -1.366 7.616 -11.242 277 HE2 LYS 464 HE2 LYS 464 -0.957 9.719 -12.432 278 HE3 LYS 464 HE1 LYS 464 0.010 10.294 -11.075 279 HZ1 LYS 464 HZ1 LYS 464 1.513 9.476 -12.664 280 HZ2 LYS 464 HZ2 LYS 464 0.618 8.062 -12.930 281 HZ3 LYS 464 HZ3 LYS 464 1.447 8.279 -11.464 Start of MODEL 19 1 H1 GLY 428 HT1 GLY 428 -2.431 13.333 -6.208 2 H2 GLY 428 HT2 GLY 428 -3.722 12.389 -6.780 3 H3 GLY 428 HT3 GLY 428 -2.124 11.921 -7.101 4 HA2 GLY 428 HA1 GLY 428 -2.942 10.536 -5.383 5 HA3 GLY 428 HA2 GLY 428 -1.747 11.633 -4.711 6 H ALA 429 HN ALA 429 -4.484 10.207 -3.978 7 HA ALA 429 HA ALA 429 -5.145 12.225 -1.995 8 HB1 ALA 429 HB1 ALA 429 -7.561 12.024 -2.423 9 HB2 ALA 429 HB2 ALA 429 -7.218 11.033 -3.840 10 HB3 ALA 429 HB3 ALA 429 -6.710 12.720 -3.800 11 H THR 430 HN THR 430 -6.567 11.253 -0.281 12 HA THR 430 HA THR 430 -5.513 8.816 0.603 13 HB THR 430 HB THR 430 -8.132 10.055 1.480 14 HG1 THR 430 HG1 THR 430 -5.431 10.639 2.156 15 HG21 THR 430 HG21 THR 430 -7.611 8.986 3.633 16 HG22 THR 430 HG22 THR 430 -6.171 8.261 2.918 17 HG23 THR 430 HG23 THR 430 -7.769 7.798 2.339 18 H ALA 431 HN ALA 431 -5.913 6.814 -0.036 19 HA ALA 431 HA ALA 431 -7.981 6.283 -1.950 20 HB1 ALA 431 HB1 ALA 431 -5.992 4.400 -0.691 21 HB2 ALA 431 HB2 ALA 431 -5.743 5.319 -2.174 22 HB3 ALA 431 HB3 ALA 431 -6.986 4.071 -2.113 23 H VAL 432 HN VAL 432 -9.594 6.922 -0.205 24 HA VAL 432 HA VAL 432 -11.251 6.417 1.253 25 HB VAL 432 HB VAL 432 -11.413 3.732 -0.092 26 HG11 VAL 432 HG11 VAL 432 -13.077 4.225 1.617 27 HG12 VAL 432 HG12 VAL 432 -13.827 4.144 0.022 28 HG13 VAL 432 HG13 VAL 432 -13.521 5.711 0.772 29 HG21 VAL 432 HG21 VAL 432 -12.174 6.380 -1.329 30 HG22 VAL 432 HG22 VAL 432 -12.578 4.793 -1.983 31 HG23 VAL 432 HG23 VAL 432 -10.892 5.297 -1.874 32 H SER 433 HN SER 433 -8.961 6.029 2.362 33 HA SER 433 HA SER 433 -7.664 4.959 3.892 34 HB2 SER 433 HB2 SER 433 -9.502 5.994 5.188 35 HB3 SER 433 HB1 SER 433 -10.377 4.464 5.116 36 HG SER 433 HG SER 433 -8.461 3.543 6.163 37 H GLU 434 HN GLU 434 -8.711 3.108 1.768 38 HA GLU 434 HA GLU 434 -8.735 0.597 3.247 39 HB2 GLU 434 HB2 GLU 434 -9.178 -0.509 1.095 40 HB3 GLU 434 HB1 GLU 434 -10.375 0.708 1.501 41 HG2 GLU 434 HG2 GLU 434 -9.348 2.253 -0.070 42 HG3 GLU 434 HG1 GLU 434 -8.114 1.050 -0.456 43 H TRP 435 HN TRP 435 -6.648 2.531 1.348 44 HA TRP 435 HA TRP 435 -4.554 0.469 1.463 45 HB2 TRP 435 HB2 TRP 435 -4.809 2.992 -0.186 46 HB3 TRP 435 HB1 TRP 435 -3.311 2.082 -0.064 47 HD1 TRP 435 HD1 TRP 435 -6.722 2.018 -1.735 48 HE1 TRP 435 HE1 TRP 435 -6.744 0.160 -3.518 49 HE3 TRP 435 HE3 TRP 435 -2.303 -0.270 -0.564 50 HZ2 TRP 435 HZ2 TRP 435 -5.113 -2.010 -4.299 51 HZ3 TRP 435 HZ3 TRP 435 -1.606 -2.233 -1.874 52 HH2 TRP 435 HH2 TRP 435 -2.986 -3.084 -3.705 53 H THR 436 HN THR 436 -3.100 0.667 3.047 54 HA THR 436 HA THR 436 -2.464 3.381 4.024 55 HB THR 436 HB THR 436 -2.064 0.913 5.694 56 HG1 THR 436 HG1 THR 436 -4.452 2.094 5.007 57 HG21 THR 436 HG21 THR 436 -2.498 3.815 6.385 58 HG22 THR 436 HG22 THR 436 -0.956 2.958 6.413 59 HG23 THR 436 HG23 THR 436 -2.234 2.511 7.544 60 H GLU 437 HN GLU 437 -0.260 3.836 4.297 61 HA GLU 437 HA GLU 437 1.514 1.924 2.965 62 HB2 GLU 437 HB2 GLU 437 2.851 3.655 2.321 63 HB3 GLU 437 HB1 GLU 437 1.367 4.571 2.537 64 HG2 GLU 437 HG2 GLU 437 2.080 5.192 4.750 65 HG3 GLU 437 HG1 GLU 437 3.556 4.276 4.575 66 H TYR 438 HN TYR 438 3.416 1.307 3.873 67 HA TYR 438 HA TYR 438 3.840 1.786 6.718 68 HB2 TYR 438 HB2 TYR 438 3.700 -0.949 5.423 69 HB3 TYR 438 HB1 TYR 438 4.334 -0.652 7.040 70 HD1 TYR 438 HD1 TYR 438 2.764 0.380 8.757 71 HD2 TYR 438 HD2 TYR 438 1.402 -1.264 5.080 72 HE1 TYR 438 HE1 TYR 438 0.496 0.195 9.691 73 HE2 TYR 438 HE2 TYR 438 -0.873 -1.456 5.997 74 HH TYR 438 HH TYR 438 -1.951 -1.633 8.276 75 H LYS 439 HN LYS 439 6.054 1.438 7.347 76 HA LYS 439 HA LYS 439 7.837 1.637 5.016 77 HB2 LYS 439 HB2 LYS 439 7.427 3.793 6.204 78 HB3 LYS 439 HB1 LYS 439 8.142 3.086 7.648 79 HG2 LYS 439 HG2 LYS 439 9.805 4.400 6.570 80 HG3 LYS 439 HG1 LYS 439 10.226 2.702 6.349 81 HD2 LYS 439 HD2 LYS 439 10.563 3.485 4.210 82 HD3 LYS 439 HD1 LYS 439 8.894 2.960 4.091 83 HE2 LYS 439 HE2 LYS 439 9.840 5.800 4.605 84 HE3 LYS 439 HE1 LYS 439 9.199 5.175 3.089 85 HZ1 LYS 439 HZ1 LYS 439 7.082 4.766 4.238 86 HZ2 LYS 439 HZ2 LYS 439 7.511 6.402 4.257 87 HZ3 LYS 439 HZ3 LYS 439 7.709 5.459 5.651 88 H THR 440 HN THR 440 9.589 0.392 4.982 89 HA THR 440 HA THR 440 10.230 -1.265 7.276 90 HB THR 440 HB THR 440 12.000 -2.187 5.711 91 HG1 THR 440 HG1 THR 440 12.331 -1.026 3.982 92 HG21 THR 440 HG21 THR 440 9.836 -3.292 6.046 93 HG22 THR 440 HG22 THR 440 10.403 -3.473 4.385 94 HG23 THR 440 HG23 THR 440 9.136 -2.305 4.762 95 H ALA 441 HN ALA 441 12.354 -1.290 8.207 96 HA ALA 441 HA ALA 441 13.144 1.253 9.023 97 HB1 ALA 441 HB1 ALA 441 13.429 -0.773 10.352 98 HB2 ALA 441 HB2 ALA 441 14.928 0.147 10.227 99 HB3 ALA 441 HB3 ALA 441 14.702 -1.310 9.259 100 H ASP 442 HN ASP 442 14.095 -0.369 6.158 101 HA ASP 442 HA ASP 442 16.646 1.021 5.987 102 HB2 ASP 442 HB2 ASP 442 17.041 -0.229 3.975 103 HB3 ASP 442 HB1 ASP 442 16.404 -1.329 5.190 104 H GLY 443 HN GLY 443 13.542 1.929 5.497 105 HA2 GLY 443 HA2 GLY 443 12.918 4.058 4.725 106 HA3 GLY 443 HA1 GLY 443 14.420 4.150 3.817 107 H LYS 444 HN LYS 444 11.304 2.516 3.917 108 HA LYS 444 HA LYS 444 11.069 2.672 1.024 109 HB2 LYS 444 HB2 LYS 444 11.508 0.239 2.562 110 HB3 LYS 444 HB1 LYS 444 10.307 0.224 1.320 111 HG2 LYS 444 HG2 LYS 444 12.030 0.954 -0.313 112 HG3 LYS 444 HG1 LYS 444 13.221 0.932 0.990 113 HD2 LYS 444 HD2 LYS 444 12.841 -1.476 1.280 114 HD3 LYS 444 HD1 LYS 444 11.667 -1.441 -0.037 115 HE2 LYS 444 HE2 LYS 444 13.846 -2.248 -0.799 116 HE3 LYS 444 HE1 LYS 444 13.398 -0.738 -1.591 117 HZ1 LYS 444 HZ1 LYS 444 15.763 -0.922 -0.757 118 HZ2 LYS 444 HZ2 LYS 444 15.128 -0.795 0.815 119 HZ3 LYS 444 HZ3 LYS 444 14.911 0.469 -0.297 120 H THR 445 HN THR 445 9.070 3.036 0.438 121 HA THR 445 HA THR 445 6.866 2.595 2.285 122 HB THR 445 HB THR 445 5.535 3.651 0.350 123 HG1 THR 445 HG1 THR 445 6.745 3.902 -1.383 124 HG21 THR 445 HG21 THR 445 6.229 5.928 1.030 125 HG22 THR 445 HG22 THR 445 7.625 5.228 1.851 126 HG23 THR 445 HG23 THR 445 5.992 4.845 2.402 127 H TYR 446 HN TYR 446 5.343 1.092 2.059 128 HA TYR 446 HA TYR 446 4.823 -0.073 -0.539 129 HB2 TYR 446 HB2 TYR 446 4.852 -2.375 0.212 130 HB3 TYR 446 HB1 TYR 446 6.425 -1.656 0.497 131 HD1 TYR 446 HD1 TYR 446 7.213 -1.272 2.790 132 HD2 TYR 446 HD2 TYR 446 3.444 -3.098 2.030 133 HE1 TYR 446 HE1 TYR 446 7.143 -2.089 5.110 134 HE2 TYR 446 HE2 TYR 446 3.364 -3.913 4.349 135 HH TYR 446 HH TYR 446 4.905 -4.428 6.169 136 H TYR 447 HN TYR 447 2.685 -0.674 -0.802 137 HA TYR 447 HA TYR 447 0.995 0.535 1.275 138 HB2 TYR 447 HB2 TYR 447 0.453 0.241 -1.684 139 HB3 TYR 447 HB1 TYR 447 -0.544 1.116 -0.519 140 HD1 TYR 447 HD2 TYR 447 0.758 2.952 0.858 141 HD2 TYR 447 HD1 TYR 447 1.992 1.458 -2.929 142 HE1 TYR 447 HE2 TYR 447 2.134 4.960 0.541 143 HE2 TYR 447 HE1 TYR 447 3.375 3.464 -3.273 144 HH TYR 447 HH TYR 447 3.644 5.670 -2.525 145 H TYR 448 HN TYR 448 -0.446 -0.595 2.281 146 HA TYR 448 HA TYR 448 -1.018 -3.334 1.360 147 HB2 TYR 448 HB2 TYR 448 0.249 -2.908 3.550 148 HB3 TYR 448 HB1 TYR 448 -1.270 -2.302 4.184 149 HD1 TYR 448 HD1 TYR 448 -3.242 -3.912 4.339 150 HD2 TYR 448 HD2 TYR 448 0.716 -5.191 3.452 151 HE1 TYR 448 HE1 TYR 448 -3.837 -6.206 5.004 152 HE2 TYR 448 HE2 TYR 448 0.132 -7.482 4.104 153 HH TYR 448 HH TYR 448 -3.103 -8.489 4.671 154 H ASN 449 HN ASN 449 -3.028 -3.686 0.732 155 HA ASN 449 HA ASN 449 -5.165 -1.851 1.573 156 HB2 ASN 449 HB2 ASN 449 -4.916 -2.498 -0.871 157 HB3 ASN 449 HB1 ASN 449 -5.368 -4.128 -0.400 158 HD21 ASN 449 HD21 ASN 449 -6.505 -0.976 -1.099 159 HD22 ASN 449 HD22 ASN 449 -8.193 -1.298 -0.891 160 H ASN 450 HN ASN 450 -6.593 -2.460 3.095 161 HA ASN 450 HA ASN 450 -5.975 -4.882 4.483 162 HB2 ASN 450 HB2 ASN 450 -8.057 -2.761 5.010 163 HB3 ASN 450 HB1 ASN 450 -7.834 -4.174 6.036 164 HD21 ASN 450 HD21 ASN 450 -6.636 -1.079 5.142 165 HD22 ASN 450 HD22 ASN 450 -5.336 -1.012 6.284 166 H ARG 451 HN ARG 451 -8.778 -3.859 2.488 167 HA ARG 451 HA ARG 451 -10.107 -6.340 3.273 168 HB2 ARG 451 HB2 ARG 451 -11.069 -4.220 1.355 169 HB3 ARG 451 HB1 ARG 451 -12.035 -5.486 2.102 170 HG2 ARG 451 HG2 ARG 451 -11.783 -4.482 4.263 171 HG3 ARG 451 HG1 ARG 451 -10.650 -3.291 3.623 172 HD2 ARG 451 HD2 ARG 451 -13.555 -3.573 2.862 173 HD3 ARG 451 HD1 ARG 451 -12.875 -2.327 3.908 174 HE ARG 451 HE ARG 451 -11.623 -2.394 1.329 175 HH11 ARG 451 HH11 ARG 451 -14.457 -1.250 3.053 176 HH12 ARG 451 HH12 ARG 451 -14.717 0.096 1.979 177 HH21 ARG 451 HH21 ARG 451 -11.984 -0.655 -0.092 178 HH22 ARG 451 HH22 ARG 451 -13.317 0.425 0.180 179 H THR 452 HN THR 452 -8.000 -5.399 0.749 180 HA THR 452 HA THR 452 -8.737 -7.788 -0.750 181 HB THR 452 HB THR 452 -6.715 -7.354 -2.099 182 HG1 THR 452 HG1 THR 452 -5.481 -5.539 -1.686 183 HG21 THR 452 HG21 THR 452 -8.836 -6.344 -2.771 184 HG22 THR 452 HG22 THR 452 -7.484 -5.277 -3.157 185 HG23 THR 452 HG23 THR 452 -8.499 -4.942 -1.755 186 H ASP 453 HN ASP 453 -6.544 -6.603 1.616 187 HA ASP 453 HA ASP 453 -5.164 -7.552 3.122 188 HB2 ASP 453 HB2 ASP 453 -6.792 -9.404 3.283 189 HB3 ASP 453 HB1 ASP 453 -5.998 -10.205 1.942 190 H GLU 454 HN GLU 454 -4.475 -6.723 0.358 191 HA GLU 454 HA GLU 454 -2.074 -8.410 -0.033 192 HB2 GLU 454 HB2 GLU 454 -2.110 -7.947 -2.371 193 HB3 GLU 454 HB1 GLU 454 -3.737 -8.433 -1.922 194 HG2 GLU 454 HG2 GLU 454 -4.479 -6.143 -1.966 195 HG3 GLU 454 HG1 GLU 454 -2.836 -5.583 -2.277 196 H SER 455 HN SER 455 -0.103 -7.454 -0.322 197 HA SER 455 HA SER 455 0.029 -4.542 0.093 198 HB2 SER 455 HB2 SER 455 2.321 -5.036 1.053 199 HB3 SER 455 HB1 SER 455 0.967 -5.631 2.013 200 HG SER 455 HG SER 455 2.299 -7.242 0.100 201 H THR 456 HN THR 456 0.942 -3.397 -1.510 202 HA THR 456 HA THR 456 2.697 -4.810 -3.404 203 HB THR 456 HB THR 456 0.475 -4.492 -4.434 204 HG1 THR 456 HG1 THR 456 1.539 -4.209 -6.221 205 HG21 THR 456 HG21 THR 456 -0.305 -2.239 -4.996 206 HG22 THR 456 HG22 THR 456 1.022 -1.546 -4.064 207 HG23 THR 456 HG23 THR 456 -0.234 -2.482 -3.251 208 H TRP 457 HN TRP 457 4.323 -3.561 -4.370 209 HA TRP 457 HA TRP 457 5.126 -1.247 -2.790 210 HB2 TRP 457 HB2 TRP 457 6.635 -2.832 -4.882 211 HB3 TRP 457 HB1 TRP 457 7.308 -1.512 -3.930 212 HD1 TRP 457 HD1 TRP 457 6.035 -5.125 -3.525 213 HE1 TRP 457 HE1 TRP 457 7.068 -6.117 -1.384 214 HE3 TRP 457 HE3 TRP 457 8.345 -0.937 -1.736 215 HZ2 TRP 457 HZ2 TRP 457 8.651 -5.235 0.770 216 HZ3 TRP 457 HZ3 TRP 457 9.599 -1.094 0.375 217 HH2 TRP 457 HH2 TRP 457 9.749 -3.198 1.600 218 H GLU 458 HN GLU 458 3.322 -1.792 -5.441 219 HA GLU 458 HA GLU 458 4.282 0.461 -7.013 220 HB2 GLU 458 HB2 GLU 458 3.501 -1.638 -8.109 221 HB3 GLU 458 HB1 GLU 458 1.895 -1.340 -7.459 222 HG2 GLU 458 HG2 GLU 458 2.116 -0.673 -9.810 223 HG3 GLU 458 HG1 GLU 458 1.691 0.672 -8.752 224 H LYS 459 HN LYS 459 3.011 2.325 -7.403 225 HA LYS 459 HA LYS 459 1.412 3.087 -5.123 226 HB2 LYS 459 HB2 LYS 459 3.086 4.606 -6.205 227 HB3 LYS 459 HB1 LYS 459 2.027 4.698 -7.605 228 HG2 LYS 459 HG2 LYS 459 0.309 5.752 -6.302 229 HG3 LYS 459 HG1 LYS 459 1.240 5.524 -4.820 230 HD2 LYS 459 HD2 LYS 459 2.990 6.989 -5.695 231 HD3 LYS 459 HD1 LYS 459 2.072 7.203 -7.184 232 HE2 LYS 459 HE2 LYS 459 1.783 9.104 -5.671 233 HE3 LYS 459 HE1 LYS 459 0.264 8.253 -5.942 234 HZ1 LYS 459 HZ1 LYS 459 2.001 8.082 -3.535 235 HZ2 LYS 459 HZ2 LYS 459 0.653 7.096 -3.809 236 HZ3 LYS 459 HZ3 LYS 459 0.450 8.763 -3.638 237 HA PRO 460 HA PRO 460 -2.309 1.490 -7.008 238 HB2 PRO 460 HB2 PRO 460 -3.548 3.064 -4.819 239 HB3 PRO 460 HB1 PRO 460 -3.726 1.353 -5.216 240 HG2 PRO 460 HG2 PRO 460 -2.292 2.108 -3.109 241 HG3 PRO 460 HG1 PRO 460 -1.759 0.761 -4.133 242 HD2 PRO 460 HD2 PRO 460 -0.783 3.586 -4.060 243 HD3 PRO 460 HD1 PRO 460 0.142 2.080 -4.227 244 H GLN 461 HN GLN 461 -3.976 2.242 -8.260 245 HA GLN 461 HA GLN 461 -3.742 4.785 -9.442 246 HB2 GLN 461 HB2 GLN 461 -5.915 2.702 -9.542 247 HB3 GLN 461 HB1 GLN 461 -5.966 4.177 -10.496 248 HG2 GLN 461 HG2 GLN 461 -3.564 2.421 -10.657 249 HG3 GLN 461 HG1 GLN 461 -5.039 1.963 -11.512 250 HE21 GLN 461 HE21 GLN 461 -5.758 3.197 -13.218 251 HE22 GLN 461 HE22 GLN 461 -4.779 4.406 -13.984 252 H GLU 462 HN GLU 462 -5.723 3.589 -6.825 253 HA GLU 462 HA GLU 462 -7.410 5.921 -6.740 254 HB2 GLU 462 HB2 GLU 462 -8.154 4.961 -4.529 255 HB3 GLU 462 HB1 GLU 462 -8.395 3.919 -5.923 256 HG2 GLU 462 HG2 GLU 462 -5.920 3.621 -4.290 257 HG3 GLU 462 HG1 GLU 462 -7.442 2.971 -3.686 258 H LEU 463 HN LEU 463 -4.268 5.369 -5.911 259 HA LEU 463 HA LEU 463 -4.258 7.579 -3.951 260 HB2 LEU 463 HB2 LEU 463 -3.551 5.359 -3.039 261 HB3 LEU 463 HB1 LEU 463 -2.265 5.314 -4.229 262 HG LEU 463 HG LEU 463 -1.341 7.410 -3.172 263 HD11 LEU 463 HD11 LEU 463 -3.337 6.738 -1.019 264 HD12 LEU 463 HD12 LEU 463 -3.362 8.167 -2.054 265 HD13 LEU 463 HD13 LEU 463 -2.047 7.935 -0.901 266 HD21 LEU 463 HD21 LEU 463 -0.361 5.241 -2.736 267 HD22 LEU 463 HD22 LEU 463 -1.553 4.931 -1.474 268 HD23 LEU 463 HD23 LEU 463 -0.362 6.212 -1.265 269 H LYS 464 HN LYS 464 -3.977 7.178 -7.029 270 HA LYS 464 HA LYS 464 -1.233 7.780 -7.600 271 HB2 LYS 464 HB2 LYS 464 -3.060 6.484 -9.013 272 HB3 LYS 464 HB1 LYS 464 -3.374 8.091 -9.656 273 HG2 LYS 464 HG2 LYS 464 -1.813 6.901 -11.068 274 HG3 LYS 464 HG1 LYS 464 -1.020 8.282 -10.302 275 HD2 LYS 464 HD2 LYS 464 -0.115 6.758 -8.577 276 HD3 LYS 464 HD1 LYS 464 -0.834 5.396 -9.440 277 HE2 LYS 464 HE2 LYS 464 1.525 5.615 -9.985 278 HE3 LYS 464 HE1 LYS 464 0.524 5.928 -11.402 279 HZ1 LYS 464 HZ1 LYS 464 1.653 8.065 -9.675 280 HZ2 LYS 464 HZ2 LYS 464 0.868 8.259 -11.163 281 HZ3 LYS 464 HZ3 LYS 464 2.386 7.510 -11.101 Start of MODEL 20 1 H1 GLY 428 HT1 GLY 428 4.685 9.919 3.932 2 H2 GLY 428 HT2 GLY 428 5.877 8.804 3.475 3 H3 GLY 428 HT3 GLY 428 6.322 10.360 3.991 4 HA2 GLY 428 HA1 GLY 428 6.757 8.852 5.766 5 HA3 GLY 428 HA2 GLY 428 5.397 9.879 6.199 6 H ALA 429 HN ALA 429 3.312 9.003 6.291 7 HA ALA 429 HA ALA 429 2.858 6.249 5.540 8 HB1 ALA 429 HB1 ALA 429 2.219 5.473 7.766 9 HB2 ALA 429 HB2 ALA 429 2.693 7.027 8.451 10 HB3 ALA 429 HB3 ALA 429 3.913 5.972 7.739 11 H THR 430 HN THR 430 1.247 7.111 4.224 12 HA THR 430 HA THR 430 -0.901 8.623 5.512 13 HB THR 430 HB THR 430 -0.785 7.959 2.583 14 HG1 THR 430 HG1 THR 430 1.243 8.850 3.047 15 HG21 THR 430 HG21 THR 430 -1.943 10.113 2.380 16 HG22 THR 430 HG22 THR 430 -1.841 10.336 4.125 17 HG23 THR 430 HG23 THR 430 -2.812 9.023 3.458 18 H ALA 431 HN ALA 431 -2.859 7.752 5.938 19 HA ALA 431 HA ALA 431 -3.410 5.047 4.965 20 HB1 ALA 431 HB1 ALA 431 -4.895 6.710 6.999 21 HB2 ALA 431 HB2 ALA 431 -3.719 5.446 7.359 22 HB3 ALA 431 HB3 ALA 431 -5.245 5.033 6.577 23 H VAL 432 HN VAL 432 -3.742 5.724 2.787 24 HA VAL 432 HA VAL 432 -5.979 7.496 2.259 25 HB VAL 432 HB VAL 432 -4.106 7.870 0.834 26 HG11 VAL 432 HG11 VAL 432 -4.224 4.958 0.070 27 HG12 VAL 432 HG12 VAL 432 -2.979 5.731 1.049 28 HG13 VAL 432 HG13 VAL 432 -3.159 6.167 -0.650 29 HG21 VAL 432 HG21 VAL 432 -6.281 8.093 -0.245 30 HG22 VAL 432 HG22 VAL 432 -6.224 6.401 -0.741 31 HG23 VAL 432 HG23 VAL 432 -5.061 7.552 -1.396 32 H SER 433 HN SER 433 -7.750 6.399 2.943 33 HA SER 433 HA SER 433 -9.491 4.925 2.871 34 HB2 SER 433 HB2 SER 433 -8.609 4.368 0.051 35 HB3 SER 433 HB1 SER 433 -10.251 4.323 0.709 36 HG SER 433 HG SER 433 -9.171 6.739 1.165 37 H GLU 434 HN GLU 434 -9.204 2.647 0.912 38 HA GLU 434 HA GLU 434 -8.761 0.532 2.564 39 HB2 GLU 434 HB2 GLU 434 -8.222 0.705 -0.396 40 HB3 GLU 434 HB1 GLU 434 -8.346 -0.796 0.511 41 HG2 GLU 434 HG2 GLU 434 -10.534 1.248 0.214 42 HG3 GLU 434 HG1 GLU 434 -10.408 -0.270 -0.680 43 H TRP 435 HN TRP 435 -6.303 2.435 0.948 44 HA TRP 435 HA TRP 435 -4.290 0.383 1.532 45 HB2 TRP 435 HB2 TRP 435 -4.124 2.811 -0.260 46 HB3 TRP 435 HB1 TRP 435 -2.859 1.606 -0.053 47 HD1 TRP 435 HD1 TRP 435 -6.276 2.108 -1.696 48 HE1 TRP 435 HE1 TRP 435 -6.638 0.258 -3.442 49 HE3 TRP 435 HE3 TRP 435 -2.198 -0.789 -0.649 50 HZ2 TRP 435 HZ2 TRP 435 -5.361 -2.128 -4.265 51 HZ3 TRP 435 HZ3 TRP 435 -1.840 -2.838 -1.961 52 HH2 TRP 435 HH2 TRP 435 -3.391 -3.495 -3.733 53 H THR 436 HN THR 436 -2.907 0.652 3.147 54 HA THR 436 HA THR 436 -2.423 3.396 4.125 55 HB THR 436 HB THR 436 -2.126 0.900 5.788 56 HG1 THR 436 HG1 THR 436 -4.389 1.818 4.869 57 HG21 THR 436 HG21 THR 436 -0.960 2.883 6.608 58 HG22 THR 436 HG22 THR 436 -2.313 2.476 7.660 59 HG23 THR 436 HG23 THR 436 -2.457 3.811 6.517 60 H GLU 437 HN GLU 437 -0.283 3.923 4.683 61 HA GLU 437 HA GLU 437 1.721 2.370 3.247 62 HB2 GLU 437 HB2 GLU 437 1.833 5.108 4.514 63 HB3 GLU 437 HB1 GLU 437 3.206 4.329 3.742 64 HG2 GLU 437 HG2 GLU 437 1.896 4.221 1.654 65 HG3 GLU 437 HG1 GLU 437 0.649 5.191 2.444 66 H TYR 438 HN TYR 438 3.220 1.163 4.187 67 HA TYR 438 HA TYR 438 3.902 1.684 7.009 68 HB2 TYR 438 HB2 TYR 438 3.652 -1.027 5.699 69 HB3 TYR 438 HB1 TYR 438 4.280 -0.747 7.315 70 HD1 TYR 438 HD1 TYR 438 2.699 0.395 9.006 71 HD2 TYR 438 HD2 TYR 438 1.362 -1.403 5.384 72 HE1 TYR 438 HE1 TYR 438 0.431 0.217 9.937 73 HE2 TYR 438 HE2 TYR 438 -0.911 -1.581 6.307 74 HH TYR 438 HH TYR 438 -1.987 -1.681 8.554 75 H LYS 439 HN LYS 439 6.026 1.926 7.372 76 HA LYS 439 HA LYS 439 7.750 1.777 5.009 77 HB2 LYS 439 HB2 LYS 439 7.506 3.936 6.285 78 HB3 LYS 439 HB1 LYS 439 8.324 3.161 7.633 79 HG2 LYS 439 HG2 LYS 439 10.079 4.237 6.648 80 HG3 LYS 439 HG1 LYS 439 10.172 2.681 5.826 81 HD2 LYS 439 HD2 LYS 439 10.416 4.368 4.147 82 HD3 LYS 439 HD1 LYS 439 8.821 3.668 3.941 83 HE2 LYS 439 HE2 LYS 439 8.707 6.095 3.772 84 HE3 LYS 439 HE1 LYS 439 7.840 5.562 5.212 85 HZ1 LYS 439 HZ1 LYS 439 9.200 7.496 5.680 86 HZ2 LYS 439 HZ2 LYS 439 10.594 6.686 5.153 87 HZ3 LYS 439 HZ3 LYS 439 9.780 6.154 6.544 88 H THR 440 HN THR 440 9.349 0.384 4.823 89 HA THR 440 HA THR 440 10.022 -1.387 7.029 90 HB THR 440 HB THR 440 11.552 -2.404 5.224 91 HG1 THR 440 HG1 THR 440 11.667 -1.004 3.593 92 HG21 THR 440 HG21 THR 440 9.678 -3.596 4.172 93 HG22 THR 440 HG22 THR 440 8.559 -2.383 4.796 94 HG23 THR 440 HG23 THR 440 9.439 -3.428 5.912 95 H ALA 441 HN ALA 441 12.234 -1.674 7.727 96 HA ALA 441 HA ALA 441 13.334 0.706 8.597 97 HB1 ALA 441 HB1 ALA 441 15.167 -0.598 9.466 98 HB2 ALA 441 HB2 ALA 441 14.747 -1.939 8.399 99 HB3 ALA 441 HB3 ALA 441 13.645 -1.461 9.691 100 H ASP 442 HN ASP 442 13.849 -0.726 5.509 101 HA ASP 442 HA ASP 442 16.419 0.533 5.103 102 HB2 ASP 442 HB2 ASP 442 16.347 -0.335 2.872 103 HB3 ASP 442 HB1 ASP 442 15.758 -1.593 3.951 104 H GLY 443 HN GLY 443 13.360 1.663 5.335 105 HA2 GLY 443 HA2 GLY 443 12.934 3.957 5.366 106 HA3 GLY 443 HA1 GLY 443 14.282 4.213 4.275 107 H LYS 444 HN LYS 444 11.532 1.990 3.754 108 HA LYS 444 HA LYS 444 10.289 3.971 1.999 109 HB2 LYS 444 HB2 LYS 444 10.718 1.229 1.019 110 HB3 LYS 444 HB1 LYS 444 10.106 2.624 0.176 111 HG2 LYS 444 HG2 LYS 444 12.304 3.645 0.179 112 HG3 LYS 444 HG1 LYS 444 12.944 2.289 1.109 113 HD2 LYS 444 HD2 LYS 444 11.843 2.195 -1.698 114 HD3 LYS 444 HD1 LYS 444 13.534 2.031 -1.222 115 HE2 LYS 444 HE2 LYS 444 12.851 0.009 0.116 116 HE3 LYS 444 HE1 LYS 444 11.265 0.137 -0.642 117 HZ1 LYS 444 HZ1 LYS 444 12.395 -0.048 -2.820 118 HZ2 LYS 444 HZ2 LYS 444 12.574 -1.431 -1.851 119 HZ3 LYS 444 HZ3 LYS 444 13.855 -0.335 -2.005 120 H THR 445 HN THR 445 8.126 3.587 1.474 121 HA THR 445 HA THR 445 6.757 1.806 3.331 122 HB THR 445 HB THR 445 4.717 3.148 2.404 123 HG1 THR 445 HG1 THR 445 5.168 4.943 1.320 124 HG21 THR 445 HG21 THR 445 5.095 4.905 4.072 125 HG22 THR 445 HG22 THR 445 6.791 4.433 4.177 126 HG23 THR 445 HG23 THR 445 5.530 3.312 4.694 127 H TYR 446 HN TYR 446 5.443 0.185 2.736 128 HA TYR 446 HA TYR 446 4.916 -0.171 -0.139 129 HB2 TYR 446 HB2 TYR 446 4.490 -2.544 0.353 130 HB3 TYR 446 HB1 TYR 446 6.115 -2.076 0.826 131 HD1 TYR 446 HD1 TYR 446 6.753 -2.012 3.181 132 HD2 TYR 446 HD2 TYR 446 2.828 -3.162 2.009 133 HE1 TYR 446 HE1 TYR 446 6.366 -2.950 5.423 134 HE2 TYR 446 HE2 TYR 446 2.427 -4.097 4.243 135 HH TYR 446 HH TYR 446 4.484 -3.520 6.891 136 H TYR 447 HN TYR 447 2.783 -0.552 -0.797 137 HA TYR 447 HA TYR 447 0.878 0.712 1.006 138 HB2 TYR 447 HB2 TYR 447 0.618 -0.004 -1.922 139 HB3 TYR 447 HB1 TYR 447 -0.519 0.970 -0.991 140 HD1 TYR 447 HD2 TYR 447 0.804 2.924 0.379 141 HD2 TYR 447 HD1 TYR 447 1.993 1.221 -3.327 142 HE1 TYR 447 HE2 TYR 447 2.115 4.936 -0.110 143 HE2 TYR 447 HE1 TYR 447 3.313 3.235 -3.836 144 HH TYR 447 HH TYR 447 3.794 5.752 -1.457 145 H TYR 448 HN TYR 448 -0.459 -0.415 2.180 146 HA TYR 448 HA TYR 448 -1.014 -3.214 1.434 147 HB2 TYR 448 HB2 TYR 448 0.374 -2.785 3.488 148 HB3 TYR 448 HB1 TYR 448 -1.019 -1.992 4.200 149 HD1 TYR 448 HD2 TYR 448 -3.089 -3.390 4.676 150 HD2 TYR 448 HD1 TYR 448 0.635 -5.110 3.544 151 HE1 TYR 448 HE2 TYR 448 -3.809 -5.547 5.609 152 HE2 TYR 448 HE1 TYR 448 -0.070 -7.270 4.480 153 HH TYR 448 HH TYR 448 -3.271 -7.962 5.347 154 H ASN 449 HN ASN 449 -3.027 -3.544 0.813 155 HA ASN 449 HA ASN 449 -5.174 -1.768 1.739 156 HB2 ASN 449 HB2 ASN 449 -5.073 -2.279 -0.681 157 HB3 ASN 449 HB1 ASN 449 -5.237 -3.987 -0.329 158 HD21 ASN 449 HD21 ASN 449 -6.929 -2.010 -1.854 159 HD22 ASN 449 HD22 ASN 449 -8.515 -2.215 -1.206 160 H ASN 450 HN ASN 450 -6.719 -2.417 3.112 161 HA ASN 450 HA ASN 450 -6.084 -4.665 4.741 162 HB2 ASN 450 HB2 ASN 450 -8.339 -2.664 4.842 163 HB3 ASN 450 HB1 ASN 450 -8.151 -3.963 6.017 164 HD21 ASN 450 HD21 ASN 450 -6.907 -0.940 4.860 165 HD22 ASN 450 HD22 ASN 450 -5.827 -0.653 6.176 166 H ARG 451 HN ARG 451 -8.983 -3.972 2.663 167 HA ARG 451 HA ARG 451 -9.954 -6.613 3.465 168 HB2 ARG 451 HB2 ARG 451 -11.246 -4.573 1.655 169 HB3 ARG 451 HB1 ARG 451 -12.007 -6.020 2.299 170 HG2 ARG 451 HG2 ARG 451 -11.915 -5.141 4.531 171 HG3 ARG 451 HG1 ARG 451 -10.983 -3.742 3.981 172 HD2 ARG 451 HD2 ARG 451 -13.821 -4.448 3.258 173 HD3 ARG 451 HD1 ARG 451 -13.273 -3.071 4.219 174 HE ARG 451 HE ARG 451 -12.029 -2.440 2.063 175 HH11 ARG 451 HH11 ARG 451 -15.187 -3.978 2.170 176 HH12 ARG 451 HH12 ARG 451 -15.645 -3.408 0.596 177 HH21 ARG 451 HH21 ARG 451 -12.619 -1.733 0.005 178 HH22 ARG 451 HH22 ARG 451 -14.194 -2.115 -0.628 179 H THR 452 HN THR 452 -8.087 -5.399 0.867 180 HA THR 452 HA THR 452 -8.627 -7.851 -0.608 181 HB THR 452 HB THR 452 -6.793 -7.206 -2.092 182 HG1 THR 452 HG1 THR 452 -5.525 -5.494 -1.683 183 HG21 THR 452 HG21 THR 452 -7.771 -5.138 -3.006 184 HG22 THR 452 HG22 THR 452 -8.711 -4.945 -1.524 185 HG23 THR 452 HG23 THR 452 -9.005 -6.326 -2.583 186 H ASP 453 HN ASP 453 -6.396 -6.424 1.599 187 HA ASP 453 HA ASP 453 -4.827 -7.193 3.010 188 HB2 ASP 453 HB2 ASP 453 -6.575 -9.022 3.362 189 HB3 ASP 453 HB1 ASP 453 -5.592 -10.013 2.298 190 H GLU 454 HN GLU 454 -4.038 -6.387 0.581 191 HA GLU 454 HA GLU 454 -1.811 -8.237 0.011 192 HB2 GLU 454 HB2 GLU 454 -1.937 -7.725 -2.358 193 HB3 GLU 454 HB1 GLU 454 -3.461 -8.400 -1.805 194 HG2 GLU 454 HG2 GLU 454 -4.417 -6.150 -1.734 195 HG3 GLU 454 HG1 GLU 454 -2.888 -5.492 -2.320 196 H SER 455 HN SER 455 0.163 -7.305 -0.422 197 HA SER 455 HA SER 455 0.315 -4.406 0.045 198 HB2 SER 455 HB2 SER 455 2.651 -4.860 0.839 199 HB3 SER 455 HB1 SER 455 1.401 -5.600 1.837 200 HG SER 455 HG SER 455 2.090 -7.324 -0.087 201 H THR 456 HN THR 456 0.976 -3.199 -1.600 202 HA THR 456 HA THR 456 2.531 -4.490 -3.750 203 HB THR 456 HB THR 456 0.273 -3.971 -4.540 204 HG1 THR 456 HG1 THR 456 1.109 -2.168 -6.113 205 HG21 THR 456 HG21 THR 456 -0.525 -1.659 -4.668 206 HG22 THR 456 HG22 THR 456 0.909 -1.115 -3.800 207 HG23 THR 456 HG23 THR 456 -0.266 -2.155 -2.995 208 H TRP 457 HN TRP 457 4.135 -3.238 -4.759 209 HA TRP 457 HA TRP 457 5.148 -1.069 -3.069 210 HB2 TRP 457 HB2 TRP 457 6.534 -2.765 -5.160 211 HB3 TRP 457 HB1 TRP 457 7.309 -1.488 -4.224 212 HD1 TRP 457 HD1 TRP 457 5.988 -5.064 -3.899 213 HE1 TRP 457 HE1 TRP 457 6.821 -6.060 -1.674 214 HE3 TRP 457 HE3 TRP 457 8.049 -0.855 -1.842 215 HZ2 TRP 457 HZ2 TRP 457 8.172 -5.180 0.634 216 HZ3 TRP 457 HZ3 TRP 457 9.088 -1.025 0.383 217 HH2 TRP 457 HH2 TRP 457 9.147 -3.145 1.593 218 H GLU 458 HN GLU 458 3.336 -1.452 -5.762 219 HA GLU 458 HA GLU 458 4.298 1.057 -6.966 220 HB2 GLU 458 HB2 GLU 458 4.223 -0.857 -8.524 221 HB3 GLU 458 HB1 GLU 458 2.518 -1.086 -8.161 222 HG2 GLU 458 HG2 GLU 458 2.855 0.048 -10.296 223 HG3 GLU 458 HG1 GLU 458 1.987 1.062 -9.146 224 H LYS 459 HN LYS 459 2.713 2.651 -7.512 225 HA LYS 459 HA LYS 459 0.993 3.210 -5.374 226 HB2 LYS 459 HB2 LYS 459 1.202 4.400 -8.130 227 HB3 LYS 459 HB1 LYS 459 0.109 5.028 -6.905 228 HG2 LYS 459 HG2 LYS 459 2.106 5.323 -5.418 229 HG3 LYS 459 HG1 LYS 459 3.107 4.926 -6.817 230 HD2 LYS 459 HD2 LYS 459 2.234 6.806 -8.041 231 HD3 LYS 459 HD1 LYS 459 1.087 7.164 -6.745 232 HE2 LYS 459 HE2 LYS 459 3.035 7.522 -5.231 233 HE3 LYS 459 HE1 LYS 459 4.093 7.342 -6.631 234 HZ1 LYS 459 HZ1 LYS 459 3.583 9.673 -6.078 235 HZ2 LYS 459 HZ2 LYS 459 1.944 9.382 -6.402 236 HZ3 LYS 459 HZ3 LYS 459 3.094 9.253 -7.645 237 HA PRO 460 HA PRO 460 -2.739 0.959 -6.335 238 HB2 PRO 460 HB2 PRO 460 -3.873 3.015 -4.525 239 HB3 PRO 460 HB1 PRO 460 -3.945 1.254 -4.412 240 HG2 PRO 460 HG2 PRO 460 -2.386 2.661 -2.776 241 HG3 PRO 460 HG1 PRO 460 -1.853 1.099 -3.429 242 HD2 PRO 460 HD2 PRO 460 -1.100 3.867 -4.281 243 HD3 PRO 460 HD1 PRO 460 -0.076 2.426 -4.106 244 H GLN 461 HN GLN 461 -4.626 1.342 -7.498 245 HA GLN 461 HA GLN 461 -4.536 3.307 -9.468 246 HB2 GLN 461 HB2 GLN 461 -6.905 1.710 -8.484 247 HB3 GLN 461 HB1 GLN 461 -6.871 2.638 -9.976 248 HG2 GLN 461 HG2 GLN 461 -4.957 0.399 -9.387 249 HG3 GLN 461 HG1 GLN 461 -6.497 0.170 -10.213 250 HE21 GLN 461 HE21 GLN 461 -5.558 -0.521 -12.095 251 HE22 GLN 461 HE22 GLN 461 -4.697 0.542 -13.159 252 H GLU 462 HN GLU 462 -6.085 3.318 -6.331 253 HA GLU 462 HA GLU 462 -7.592 5.712 -6.862 254 HB2 GLU 462 HB2 GLU 462 -7.934 5.596 -4.292 255 HB3 GLU 462 HB1 GLU 462 -8.679 4.373 -5.314 256 HG2 GLU 462 HG2 GLU 462 -6.007 3.892 -4.068 257 HG3 GLU 462 HG1 GLU 462 -7.487 3.666 -3.137 258 H LEU 463 HN LEU 463 -4.362 5.164 -6.163 259 HA LEU 463 HA LEU 463 -4.100 7.722 -4.732 260 HB2 LEU 463 HB2 LEU 463 -3.168 5.650 -3.671 261 HB3 LEU 463 HB1 LEU 463 -2.047 5.526 -5.014 262 HG LEU 463 HG LEU 463 -1.052 7.693 -4.377 263 HD11 LEU 463 HD11 LEU 463 -2.942 7.537 -2.033 264 HD12 LEU 463 HD12 LEU 463 -2.997 8.718 -3.342 265 HD13 LEU 463 HD13 LEU 463 -1.633 8.703 -2.224 266 HD21 LEU 463 HD21 LEU 463 -1.176 5.659 -2.149 267 HD22 LEU 463 HD22 LEU 463 0.041 6.924 -2.315 268 HD23 LEU 463 HD23 LEU 463 -0.066 5.644 -3.522 269 H LYS 464 HN LYS 464 -4.011 6.583 -7.790 270 HA LYS 464 HA LYS 464 -1.895 8.464 -8.579 271 HB2 LYS 464 HB2 LYS 464 -1.628 7.193 -10.642 272 HB3 LYS 464 HB1 LYS 464 -1.416 6.148 -9.248 273 HG2 LYS 464 HG2 LYS 464 -2.745 4.771 -10.417 274 HG3 LYS 464 HG1 LYS 464 -4.037 5.759 -9.730 275 HD2 LYS 464 HD2 LYS 464 -3.892 7.208 -11.769 276 HD3 LYS 464 HD1 LYS 464 -2.771 6.030 -12.454 277 HE2 LYS 464 HE2 LYS 464 -4.953 5.563 -13.308 278 HE3 LYS 464 HE1 LYS 464 -4.530 4.292 -12.162 279 HZ1 LYS 464 HZ1 LYS 464 -6.761 4.948 -11.759 280 HZ2 LYS 464 HZ2 LYS 464 -6.347 6.590 -11.702 281 HZ3 LYS 464 HZ3 LYS 464 -5.827 5.545 -10.474
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