NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
596042 | 2n4v | 25682 | 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 7.990 -0.145 -1.274 2 H2 GLY 428 HT2 GLY 428 9.431 -0.768 -0.621 3 H3 GLY 428 HT3 GLY 428 9.450 0.010 -2.126 4 HA2 GLY 428 HA1 GLY 428 8.904 2.110 -1.124 5 HA3 GLY 428 HA2 GLY 428 8.764 1.325 0.443 6 H ALA 429 HN ALA 429 11.008 2.164 -2.144 7 HA ALA 429 HA ALA 429 13.294 1.392 -0.523 8 HB1 ALA 429 HB1 ALA 429 13.194 2.571 -3.296 9 HB2 ALA 429 HB2 ALA 429 13.270 0.852 -2.913 10 HB3 ALA 429 HB3 ALA 429 14.620 1.909 -2.498 11 H THR 430 HN THR 430 11.526 4.217 -1.371 12 HA THR 430 HA THR 430 13.277 5.804 0.335 13 HB THR 430 HB THR 430 12.579 6.687 -2.476 14 HG1 THR 430 HG1 THR 430 14.706 5.313 -1.425 15 HG21 THR 430 HG21 THR 430 14.023 8.612 -1.996 16 HG22 THR 430 HG22 THR 430 14.242 8.037 -0.343 17 HG23 THR 430 HG23 THR 430 12.647 8.555 -0.893 18 H ALA 431 HN ALA 431 10.373 5.819 -1.725 19 HA ALA 431 HA ALA 431 9.185 7.862 -0.002 20 HB1 ALA 431 HB1 ALA 431 8.198 6.764 -2.632 21 HB2 ALA 431 HB2 ALA 431 9.142 8.239 -2.427 22 HB3 ALA 431 HB3 ALA 431 7.518 8.129 -1.749 23 H VAL 432 HN VAL 432 7.709 7.404 1.452 24 HA VAL 432 HA VAL 432 5.664 5.484 1.074 25 HB VAL 432 HB VAL 432 7.442 3.908 1.706 26 HG11 VAL 432 HG11 VAL 432 8.428 3.935 3.935 27 HG12 VAL 432 HG12 VAL 432 7.601 5.452 4.291 28 HG13 VAL 432 HG13 VAL 432 8.841 5.394 3.037 29 HG21 VAL 432 HG21 VAL 432 6.280 2.809 3.564 30 HG22 VAL 432 HG22 VAL 432 5.160 3.390 2.331 31 HG23 VAL 432 HG23 VAL 432 5.349 4.280 3.843 32 H SER 433 HN SER 433 3.921 6.072 2.291 33 HA SER 433 HA SER 433 4.366 8.280 4.159 34 HB2 SER 433 HB2 SER 433 1.901 8.731 3.741 35 HB3 SER 433 HB1 SER 433 2.968 8.941 2.351 36 HG SER 433 HG SER 433 0.848 7.353 2.573 37 H GLU 434 HN GLU 434 1.260 6.844 4.355 38 HA GLU 434 HA GLU 434 1.982 5.801 7.004 39 HB2 GLU 434 HB2 GLU 434 -0.314 6.079 7.638 40 HB3 GLU 434 HB1 GLU 434 0.219 7.565 6.870 41 HG2 GLU 434 HG2 GLU 434 -1.202 5.476 5.278 42 HG3 GLU 434 HG1 GLU 434 -2.105 6.579 6.312 43 H TRP 435 HN TRP 435 1.984 4.548 4.140 44 HA TRP 435 HA TRP 435 0.346 2.198 4.747 45 HB2 TRP 435 HB2 TRP 435 1.838 2.840 2.193 46 HB3 TRP 435 HB1 TRP 435 0.761 1.473 2.473 47 HD1 TRP 435 HD1 TRP 435 0.372 5.357 2.714 48 HE1 TRP 435 HE1 TRP 435 -1.900 5.961 1.652 49 HE3 TRP 435 HE3 TRP 435 -1.180 0.669 1.466 50 HZ2 TRP 435 HZ2 TRP 435 -4.065 4.606 0.433 51 HZ3 TRP 435 HZ3 TRP 435 -3.363 0.397 0.340 52 HH2 TRP 435 HH2 TRP 435 -4.774 2.328 -0.161 53 H THR 436 HN THR 436 1.183 0.157 4.800 54 HA THR 436 HA THR 436 4.115 -0.112 4.784 55 HB THR 436 HB THR 436 2.258 -1.837 6.432 56 HG1 THR 436 HG1 THR 436 3.636 0.530 7.252 57 HG21 THR 436 HG21 THR 436 4.506 -2.715 5.988 58 HG22 THR 436 HG22 THR 436 4.306 -2.313 7.694 59 HG23 THR 436 HG23 THR 436 5.213 -1.234 6.636 60 H GLU 437 HN GLU 437 4.598 -1.181 2.941 61 HA GLU 437 HA GLU 437 2.637 -3.022 1.827 62 HB2 GLU 437 HB2 GLU 437 4.300 -3.215 -0.081 63 HB3 GLU 437 HB1 GLU 437 3.509 -1.656 0.132 64 HG2 GLU 437 HG2 GLU 437 5.392 -0.644 0.875 65 HG3 GLU 437 HG1 GLU 437 6.161 -2.144 1.391 66 H TYR 438 HN TYR 438 3.236 -5.089 1.099 67 HA TYR 438 HA TYR 438 5.227 -6.417 2.775 68 HB2 TYR 438 HB2 TYR 438 2.268 -7.101 2.696 69 HB3 TYR 438 HB1 TYR 438 3.505 -8.161 3.356 70 HD1 TYR 438 HD1 TYR 438 4.813 -7.377 5.371 71 HD2 TYR 438 HD2 TYR 438 1.302 -5.399 4.008 72 HE1 TYR 438 HE1 TYR 438 4.559 -6.321 7.575 73 HE2 TYR 438 HE2 TYR 438 1.042 -4.333 6.208 74 HH TYR 438 HH TYR 438 1.708 -4.698 8.523 75 H LYS 439 HN LYS 439 5.777 -8.520 1.781 76 HA LYS 439 HA LYS 439 4.782 -8.491 -0.976 77 HB2 LYS 439 HB2 LYS 439 7.238 -7.720 -0.468 78 HB3 LYS 439 HB1 LYS 439 7.536 -9.463 -0.448 79 HG2 LYS 439 HG2 LYS 439 7.854 -8.893 -2.691 80 HG3 LYS 439 HG1 LYS 439 6.179 -9.475 -2.615 81 HD2 LYS 439 HD2 LYS 439 6.182 -7.512 -3.897 82 HD3 LYS 439 HD1 LYS 439 5.336 -7.281 -2.412 83 HE2 LYS 439 HE2 LYS 439 8.245 -6.537 -2.491 84 HE3 LYS 439 HE1 LYS 439 7.095 -5.482 -3.310 85 HZ1 LYS 439 HZ1 LYS 439 5.846 -5.427 -1.153 86 HZ2 LYS 439 HZ2 LYS 439 7.343 -4.648 -1.137 87 HZ3 LYS 439 HZ3 LYS 439 7.180 -6.176 -0.422 88 H THR 440 HN THR 440 4.214 -10.310 -1.899 89 HA THR 440 HA THR 440 4.434 -12.779 -0.351 90 HB THR 440 HB THR 440 3.113 -13.810 -2.191 91 HG1 THR 440 HG1 THR 440 3.225 -12.754 -4.022 92 HG21 THR 440 HG21 THR 440 1.968 -12.859 -0.256 93 HG22 THR 440 HG22 THR 440 1.015 -12.634 -1.722 94 HG23 THR 440 HG23 THR 440 1.924 -11.283 -1.044 95 H ALA 441 HN ALA 441 5.409 -14.690 -1.220 96 HA ALA 441 HA ALA 441 8.048 -14.242 -1.951 97 HB1 ALA 441 HB1 ALA 441 6.493 -16.795 -2.301 98 HB2 ALA 441 HB2 ALA 441 7.250 -16.247 -0.805 99 HB3 ALA 441 HB3 ALA 441 8.245 -16.637 -2.207 100 H ASP 442 HN ASP 442 5.288 -14.708 -4.023 101 HA ASP 442 HA ASP 442 6.824 -15.476 -6.323 102 HB2 ASP 442 HB2 ASP 442 4.694 -15.394 -7.523 103 HB3 ASP 442 HB1 ASP 442 4.542 -16.295 -6.020 104 H GLY 443 HN GLY 443 6.626 -12.580 -4.831 105 HA2 GLY 443 HA2 GLY 443 7.739 -10.673 -5.637 106 HA3 GLY 443 HA1 GLY 443 7.522 -11.265 -7.277 107 H LYS 444 HN LYS 444 5.421 -10.365 -4.563 108 HA LYS 444 HA LYS 444 3.986 -8.466 -6.310 109 HB2 LYS 444 HB2 LYS 444 2.885 -10.569 -4.544 110 HB3 LYS 444 HB1 LYS 444 1.979 -9.151 -5.001 111 HG2 LYS 444 HG2 LYS 444 2.156 -9.803 -7.379 112 HG3 LYS 444 HG1 LYS 444 3.035 -11.255 -6.896 113 HD2 LYS 444 HD2 LYS 444 1.099 -12.035 -5.646 114 HD3 LYS 444 HD1 LYS 444 0.220 -10.563 -6.057 115 HE2 LYS 444 HE2 LYS 444 1.276 -12.512 -8.096 116 HE3 LYS 444 HE1 LYS 444 -0.360 -12.575 -7.442 117 HZ1 LYS 444 HZ1 LYS 444 0.821 -10.287 -8.936 118 HZ2 LYS 444 HZ2 LYS 444 -0.751 -10.349 -8.311 119 HZ3 LYS 444 HZ3 LYS 444 -0.293 -11.405 -9.556 120 H THR 445 HN THR 445 3.915 -6.545 -5.247 121 HA THR 445 HA THR 445 4.128 -6.750 -2.338 122 HB THR 445 HB THR 445 5.569 -5.081 -3.567 123 HG1 THR 445 HG1 THR 445 5.245 -3.463 -2.024 124 HG21 THR 445 HG21 THR 445 4.014 -4.359 -5.306 125 HG22 THR 445 HG22 THR 445 4.586 -2.979 -4.367 126 HG23 THR 445 HG23 THR 445 2.970 -3.626 -4.084 127 H TYR 446 HN TYR 446 2.495 -5.798 -1.006 128 HA TYR 446 HA TYR 446 0.205 -4.585 -2.333 129 HB2 TYR 446 HB2 TYR 446 -1.319 -5.780 -0.691 130 HB3 TYR 446 HB1 TYR 446 -0.669 -6.741 -2.007 131 HD1 TYR 446 HD2 TYR 446 1.643 -7.992 -1.355 132 HD2 TYR 446 HD1 TYR 446 -1.357 -6.712 1.396 133 HE1 TYR 446 HE2 TYR 446 2.392 -9.692 0.262 134 HE2 TYR 446 HE1 TYR 446 -0.599 -8.395 3.018 135 HH TYR 446 HH TYR 446 0.660 -10.745 2.787 136 H TYR 447 HN TYR 447 -0.379 -2.754 -1.448 137 HA TYR 447 HA TYR 447 1.198 -1.861 0.826 138 HB2 TYR 447 HB2 TYR 447 -0.513 -0.384 -1.186 139 HB3 TYR 447 HB1 TYR 447 0.257 0.400 0.178 140 HD1 TYR 447 HD2 TYR 447 0.884 -1.318 -3.022 141 HD2 TYR 447 HD1 TYR 447 2.561 0.902 0.193 142 HE1 TYR 447 HE2 TYR 447 2.946 -0.992 -4.327 143 HE2 TYR 447 HE1 TYR 447 4.617 1.238 -1.099 144 HH TYR 447 HH TYR 447 5.815 0.014 -2.968 145 H TYR 448 HN TYR 448 0.416 -1.768 2.776 146 HA TYR 448 HA TYR 448 -2.472 -2.020 3.185 147 HB2 TYR 448 HB2 TYR 448 -1.372 -3.780 4.256 148 HB3 TYR 448 HB1 TYR 448 -0.034 -2.770 4.769 149 HD1 TYR 448 HD1 TYR 448 -0.467 -1.074 6.615 150 HD2 TYR 448 HD2 TYR 448 -3.155 -4.240 5.682 151 HE1 TYR 448 HE1 TYR 448 -1.453 -0.906 8.871 152 HE2 TYR 448 HE2 TYR 448 -4.159 -4.063 7.919 153 HH TYR 448 HH TYR 448 -3.480 -3.279 10.159 154 H ASN 449 HN ASN 449 -3.556 -0.260 3.746 155 HA ASN 449 HA ASN 449 -2.093 2.112 4.578 156 HB2 ASN 449 HB2 ASN 449 -3.738 2.398 2.824 157 HB3 ASN 449 HB1 ASN 449 -4.991 1.677 3.832 158 HD21 ASN 449 HD21 ASN 449 -2.937 4.470 3.376 159 HD22 ASN 449 HD22 ASN 449 -3.888 5.552 4.336 160 H ASN 450 HN ASN 450 -1.842 2.626 6.632 161 HA ASN 450 HA ASN 450 -3.087 1.087 8.690 162 HB2 ASN 450 HB2 ASN 450 -1.143 3.385 8.723 163 HB3 ASN 450 HB1 ASN 450 -1.811 2.724 10.208 164 HD21 ASN 450 HD21 ASN 450 0.368 2.221 7.570 165 HD22 ASN 450 HD22 ASN 450 1.120 0.787 8.193 166 H ARG 451 HN ARG 451 -4.262 3.729 7.023 167 HA ARG 451 HA ARG 451 -5.456 5.091 9.276 168 HB2 ARG 451 HB2 ARG 451 -6.234 5.401 6.375 169 HB3 ARG 451 HB1 ARG 451 -6.527 6.531 7.686 170 HG2 ARG 451 HG2 ARG 451 -4.139 6.978 7.849 171 HG3 ARG 451 HG1 ARG 451 -3.832 5.824 6.548 172 HD2 ARG 451 HD2 ARG 451 -5.324 8.437 6.392 173 HD3 ARG 451 HD1 ARG 451 -3.823 8.002 5.578 174 HE ARG 451 HE ARG 451 -6.408 6.709 4.950 175 HH11 ARG 451 HH11 ARG 451 -3.394 8.211 3.900 176 HH12 ARG 451 HH12 ARG 451 -3.752 7.986 2.205 177 HH21 ARG 451 HH21 ARG 451 -6.837 6.429 2.722 178 HH22 ARG 451 HH22 ARG 451 -5.678 6.980 1.549 179 H THR 452 HN THR 452 -6.530 2.878 6.719 180 HA THR 452 HA THR 452 -9.071 2.557 8.171 181 HB THR 452 HB THR 452 -9.563 3.766 6.170 182 HG1 THR 452 HG1 THR 452 -10.502 1.772 4.851 183 HG21 THR 452 HG21 THR 452 -7.975 1.692 4.665 184 HG22 THR 452 HG22 THR 452 -7.494 3.362 4.962 185 HG23 THR 452 HG23 THR 452 -8.887 3.015 3.938 186 H LEU 453 HN LEU 453 -6.275 1.161 7.701 187 HA LEU 453 HA LEU 453 -5.440 -0.936 7.902 188 HB2 LEU 453 HB2 LEU 453 -8.279 -1.830 8.391 189 HB3 LEU 453 HB1 LEU 453 -6.813 -2.667 8.860 190 HG LEU 453 HG LEU 453 -7.858 -0.081 10.016 191 HD11 LEU 453 HD11 LEU 453 -8.058 -1.395 12.071 192 HD12 LEU 453 HD12 LEU 453 -7.530 -2.833 11.197 193 HD13 LEU 453 HD13 LEU 453 -9.053 -2.054 10.771 194 HD21 LEU 453 HD21 LEU 453 -5.427 -0.018 9.904 195 HD22 LEU 453 HD22 LEU 453 -5.338 -1.595 10.686 196 HD23 LEU 453 HD23 LEU 453 -5.973 -0.207 11.569 197 H GLU 454 HN GLU 454 -6.543 0.098 5.327 198 HA GLU 454 HA GLU 454 -7.640 -2.297 4.090 199 HB2 GLU 454 HB2 GLU 454 -7.592 0.576 3.273 200 HB3 GLU 454 HB1 GLU 454 -7.908 -0.678 2.083 201 HG2 GLU 454 HG2 GLU 454 -9.789 -1.470 3.466 202 HG3 GLU 454 HG1 GLU 454 -9.498 -0.135 4.580 203 H SER 455 HN SER 455 -6.481 -3.620 2.881 204 HA SER 455 HA SER 455 -3.813 -2.749 2.019 205 HB2 SER 455 HB2 SER 455 -3.483 -5.273 1.737 206 HB3 SER 455 HB1 SER 455 -3.664 -4.676 3.388 207 HG SER 455 HG SER 455 -5.776 -5.739 1.808 208 H ASP 456 HN ASP 456 -3.475 -2.318 -0.066 209 HA ASP 456 HA ASP 456 -5.023 -3.755 -2.112 210 HB2 ASP 456 HB2 ASP 456 -6.127 -1.571 -1.771 211 HB3 ASP 456 HB1 ASP 456 -4.598 -0.753 -2.076 212 H TRP 457 HN TRP 457 -3.895 -4.126 -4.031 213 HA TRP 457 HA TRP 457 -1.037 -4.175 -3.729 214 HB2 TRP 457 HB2 TRP 457 -2.412 -4.751 -6.335 215 HB3 TRP 457 HB1 TRP 457 -0.963 -5.487 -5.665 216 HD1 TRP 457 HD1 TRP 457 -4.785 -5.566 -5.313 217 HE1 TRP 457 HE1 TRP 457 -5.467 -7.853 -4.319 218 HE3 TRP 457 HE3 TRP 457 -0.124 -7.450 -4.349 219 HZ2 TRP 457 HZ2 TRP 457 -4.184 -10.138 -3.269 220 HZ3 TRP 457 HZ3 TRP 457 0.060 -9.695 -3.356 221 HH2 TRP 457 HH2 TRP 457 -1.929 -11.010 -2.828 222 H GLU 458 HN GLU 458 -3.321 -2.078 -5.185 223 HA GLU 458 HA GLU 458 -1.491 -1.064 -7.180 224 HB2 GLU 458 HB2 GLU 458 -4.299 -0.209 -6.462 225 HB3 GLU 458 HB1 GLU 458 -3.390 0.329 -7.865 226 HG2 GLU 458 HG2 GLU 458 -4.337 -2.462 -7.291 227 HG3 GLU 458 HG1 GLU 458 -4.942 -1.366 -8.532 228 H LYS 459 HN LYS 459 -0.351 0.735 -7.077 229 HA LYS 459 HA LYS 459 0.259 1.880 -4.596 230 HB2 LYS 459 HB2 LYS 459 0.853 3.024 -7.333 231 HB3 LYS 459 HB1 LYS 459 1.709 3.383 -5.836 232 HG2 LYS 459 HG2 LYS 459 2.492 1.090 -5.707 233 HG3 LYS 459 HG1 LYS 459 1.594 0.683 -7.167 234 HD2 LYS 459 HD2 LYS 459 3.755 0.996 -7.950 235 HD3 LYS 459 HD1 LYS 459 2.992 2.552 -8.271 236 HE2 LYS 459 HE2 LYS 459 4.560 2.016 -5.762 237 HE3 LYS 459 HE1 LYS 459 5.326 2.575 -7.245 238 HZ1 LYS 459 HZ1 LYS 459 3.950 4.547 -7.190 239 HZ2 LYS 459 HZ2 LYS 459 4.810 4.398 -5.736 240 HZ3 LYS 459 HZ3 LYS 459 3.170 4.005 -5.786 241 HA PRO 460 HA PRO 460 -3.266 4.584 -4.196 242 HB2 PRO 460 HB2 PRO 460 -2.324 5.863 -1.966 243 HB3 PRO 460 HB1 PRO 460 -3.102 4.277 -1.933 244 HG2 PRO 460 HG2 PRO 460 -0.183 4.955 -1.934 245 HG3 PRO 460 HG1 PRO 460 -1.055 3.766 -0.946 246 HD2 PRO 460 HD2 PRO 460 0.349 3.011 -3.091 247 HD3 PRO 460 HD1 PRO 460 -1.202 2.239 -2.689 248 H GLN 461 HN GLN 461 -3.714 6.851 -4.239 249 HA GLN 461 HA GLN 461 -2.096 8.281 -6.045 250 HB2 GLN 461 HB2 GLN 461 -4.581 8.551 -5.676 251 HB3 GLN 461 HB1 GLN 461 -4.196 9.461 -4.223 252 HG2 GLN 461 HG2 GLN 461 -4.593 11.073 -5.865 253 HG3 GLN 461 HG1 GLN 461 -2.838 10.993 -5.723 254 HE21 GLN 461 HE21 GLN 461 -4.459 11.924 -7.939 255 HE22 GLN 461 HE22 GLN 461 -4.027 10.958 -9.306 256 H GLU 462 HN GLU 462 -2.203 8.206 -2.558 257 HA GLU 462 HA GLU 462 -0.724 10.617 -2.150 258 HB2 GLU 462 HB2 GLU 462 -0.985 8.317 -0.212 259 HB3 GLU 462 HB1 GLU 462 -0.605 9.989 0.165 260 HG2 GLU 462 HG2 GLU 462 -2.788 9.947 0.768 261 HG3 GLU 462 HG1 GLU 462 -2.967 10.413 -0.923 262 H LEU 463 HN LEU 463 0.171 7.586 -3.263 263 HA LEU 463 HA LEU 463 2.969 8.022 -2.458 264 HB2 LEU 463 HB2 LEU 463 1.749 6.198 -1.168 265 HB3 LEU 463 HB1 LEU 463 1.668 5.308 -2.676 266 HG LEU 463 HG LEU 463 4.116 5.238 -2.782 267 HD11 LEU 463 HD11 LEU 463 5.447 5.996 -0.881 268 HD12 LEU 463 HD12 LEU 463 3.995 6.642 -0.117 269 HD13 LEU 463 HD13 LEU 463 4.580 7.336 -1.629 270 HD21 LEU 463 HD21 LEU 463 4.479 3.723 -0.901 271 HD22 LEU 463 HD22 LEU 463 2.918 3.429 -1.666 272 HD23 LEU 463 HD23 LEU 463 2.999 4.308 -0.140 273 H LYS 464 HN LYS 464 1.213 8.452 -4.909 274 HA LYS 464 HA LYS 464 3.120 7.389 -6.828 275 HB2 LYS 464 HB2 LYS 464 1.386 5.665 -6.745 276 HB3 LYS 464 HB1 LYS 464 0.141 6.879 -7.005 277 HG2 LYS 464 HG2 LYS 464 1.358 7.374 -9.207 278 HG3 LYS 464 HG1 LYS 464 2.168 5.829 -8.940 279 HD2 LYS 464 HD2 LYS 464 0.156 5.642 -10.371 280 HD3 LYS 464 HD1 LYS 464 0.049 4.673 -8.899 281 HE2 LYS 464 HE2 LYS 464 -2.035 5.938 -9.481 282 HE3 LYS 464 HE1 LYS 464 -1.400 6.263 -7.868 283 HZ1 LYS 464 HZ1 LYS 464 -1.044 7.982 -10.267 284 HZ2 LYS 464 HZ2 LYS 464 -0.377 8.297 -8.739 285 HZ3 LYS 464 HZ3 LYS 464 -2.060 8.306 -8.951 Start of MODEL 2 1 H1 GLY 428 HT1 GLY 428 1.990 14.509 4.216 2 H2 GLY 428 HT2 GLY 428 0.896 14.975 3.002 3 H3 GLY 428 HT3 GLY 428 0.605 13.579 3.922 4 HA2 GLY 428 HA1 GLY 428 0.734 16.302 5.083 5 HA3 GLY 428 HA2 GLY 428 -0.765 15.537 4.567 6 H ALA 429 HN ALA 429 -1.490 15.712 6.759 7 HA ALA 429 HA ALA 429 -0.161 14.040 8.740 8 HB1 ALA 429 HB1 ALA 429 -2.724 15.629 8.933 9 HB2 ALA 429 HB2 ALA 429 -1.127 16.186 9.437 10 HB3 ALA 429 HB3 ALA 429 -1.892 14.832 10.269 11 H THR 430 HN THR 430 -0.767 12.047 9.282 12 HA THR 430 HA THR 430 -1.556 9.956 8.942 13 HB THR 430 HB THR 430 -3.243 10.856 10.519 14 HG1 THR 430 HG1 THR 430 -3.877 8.860 8.629 15 HG21 THR 430 HG21 THR 430 -5.508 11.374 9.729 16 HG22 THR 430 HG22 THR 430 -4.949 11.269 8.060 17 HG23 THR 430 HG23 THR 430 -4.331 12.538 9.118 18 H ALA 431 HN ALA 431 -1.058 11.466 6.515 19 HA ALA 431 HA ALA 431 -2.279 9.647 4.655 20 HB1 ALA 431 HB1 ALA 431 -3.262 11.357 3.208 21 HB2 ALA 431 HB2 ALA 431 -2.851 12.602 4.391 22 HB3 ALA 431 HB3 ALA 431 -4.030 11.354 4.797 23 H VAL 432 HN VAL 432 -1.101 9.473 2.779 24 HA VAL 432 HA VAL 432 0.691 9.591 1.387 25 HB VAL 432 HB VAL 432 1.298 12.232 2.727 26 HG11 VAL 432 HG11 VAL 432 2.801 12.640 0.829 27 HG12 VAL 432 HG12 VAL 432 2.499 11.004 0.245 28 HG13 VAL 432 HG13 VAL 432 3.324 11.251 1.784 29 HG21 VAL 432 HG21 VAL 432 -0.801 12.259 1.501 30 HG22 VAL 432 HG22 VAL 432 -0.000 11.587 0.080 31 HG23 VAL 432 HG23 VAL 432 0.417 13.205 0.644 32 H SER 433 HN SER 433 2.336 8.265 1.615 33 HA SER 433 HA SER 433 3.937 6.954 2.570 34 HB2 SER 433 HB2 SER 433 4.420 9.343 4.368 35 HB3 SER 433 HB1 SER 433 5.538 8.009 4.084 36 HG SER 433 HG SER 433 5.425 10.226 2.742 37 H GLU 434 HN GLU 434 1.173 7.204 3.631 38 HA GLU 434 HA GLU 434 1.404 6.560 6.458 39 HB2 GLU 434 HB2 GLU 434 -0.344 8.101 5.474 40 HB3 GLU 434 HB1 GLU 434 -1.056 6.695 4.700 41 HG2 GLU 434 HG2 GLU 434 -0.738 6.150 7.477 42 HG3 GLU 434 HG1 GLU 434 -1.536 7.710 7.282 43 H TRP 435 HN TRP 435 1.936 4.886 3.766 44 HA TRP 435 HA TRP 435 0.451 2.476 4.573 45 HB2 TRP 435 HB2 TRP 435 1.598 3.161 1.859 46 HB3 TRP 435 HB1 TRP 435 0.751 1.674 2.289 47 HD1 TRP 435 HD1 TRP 435 -0.315 5.406 2.825 48 HE1 TRP 435 HE1 TRP 435 -2.694 5.665 1.823 49 HE3 TRP 435 HE3 TRP 435 -0.914 0.689 0.965 50 HZ2 TRP 435 HZ2 TRP 435 -4.555 4.063 0.432 51 HZ3 TRP 435 HZ3 TRP 435 -3.020 0.130 -0.191 52 HH2 TRP 435 HH2 TRP 435 -4.797 1.784 -0.455 53 H THR 436 HN THR 436 1.490 0.504 4.633 54 HA THR 436 HA THR 436 4.415 0.503 4.258 55 HB THR 436 HB THR 436 2.920 -1.117 6.334 56 HG1 THR 436 HG1 THR 436 4.188 1.405 6.450 57 HG21 THR 436 HG21 THR 436 5.149 -1.576 7.226 58 HG22 THR 436 HG22 THR 436 5.875 -0.610 5.942 59 HG23 THR 436 HG23 THR 436 5.030 -2.108 5.547 60 H GLU 437 HN GLU 437 5.044 -0.967 2.755 61 HA GLU 437 HA GLU 437 3.014 -2.851 1.845 62 HB2 GLU 437 HB2 GLU 437 4.535 -3.093 -0.199 63 HB3 GLU 437 HB1 GLU 437 3.598 -1.609 -0.001 64 HG2 GLU 437 HG2 GLU 437 5.516 -0.634 -0.484 65 HG3 GLU 437 HG1 GLU 437 5.876 -0.888 1.218 66 H TYR 438 HN TYR 438 3.619 -4.923 1.082 67 HA TYR 438 HA TYR 438 5.613 -6.245 2.765 68 HB2 TYR 438 HB2 TYR 438 2.626 -6.782 2.857 69 HB3 TYR 438 HB1 TYR 438 3.838 -7.874 3.510 70 HD1 TYR 438 HD2 TYR 438 5.277 -7.076 5.424 71 HD2 TYR 438 HD1 TYR 438 1.818 -4.962 4.126 72 HE1 TYR 438 HE2 TYR 438 5.192 -5.901 7.582 73 HE2 TYR 438 HE1 TYR 438 1.720 -3.786 6.285 74 HH TYR 438 HH TYR 438 2.475 -4.050 8.560 75 H LYS 439 HN LYS 439 6.030 -8.445 1.857 76 HA LYS 439 HA LYS 439 4.941 -8.480 -0.874 77 HB2 LYS 439 HB2 LYS 439 7.483 -7.992 -0.417 78 HB3 LYS 439 HB1 LYS 439 7.562 -9.755 -0.322 79 HG2 LYS 439 HG2 LYS 439 7.930 -9.313 -2.593 80 HG3 LYS 439 HG1 LYS 439 6.199 -9.700 -2.482 81 HD2 LYS 439 HD2 LYS 439 6.408 -7.793 -3.839 82 HD3 LYS 439 HD1 LYS 439 5.610 -7.413 -2.360 83 HE2 LYS 439 HE2 LYS 439 8.589 -6.967 -2.713 84 HE3 LYS 439 HE1 LYS 439 7.415 -5.766 -3.239 85 HZ1 LYS 439 HZ1 LYS 439 8.227 -5.222 -1.061 86 HZ2 LYS 439 HZ2 LYS 439 7.820 -6.751 -0.462 87 HZ3 LYS 439 HZ3 LYS 439 6.599 -5.672 -0.934 88 H THR 440 HN THR 440 4.179 -10.280 -1.726 89 HA THR 440 HA THR 440 4.121 -12.711 -0.110 90 HB THR 440 HB THR 440 2.728 -13.625 -1.989 91 HG1 THR 440 HG1 THR 440 2.703 -12.543 -3.785 92 HG21 THR 440 HG21 THR 440 1.747 -11.038 -0.777 93 HG22 THR 440 HG22 THR 440 1.678 -12.624 -0.015 94 HG23 THR 440 HG23 THR 440 0.735 -12.304 -1.469 95 H ALA 441 HN ALA 441 4.880 -14.732 -0.893 96 HA ALA 441 HA ALA 441 7.518 -14.689 -1.745 97 HB1 ALA 441 HB1 ALA 441 5.597 -17.006 -1.906 98 HB2 ALA 441 HB2 ALA 441 6.499 -16.516 -0.471 99 HB3 ALA 441 HB3 ALA 441 7.358 -17.103 -1.895 100 H ASP 442 HN ASP 442 4.618 -14.834 -3.694 101 HA ASP 442 HA ASP 442 5.958 -15.917 -5.999 102 HB2 ASP 442 HB2 ASP 442 3.837 -15.734 -7.128 103 HB3 ASP 442 HB1 ASP 442 3.563 -16.375 -5.513 104 H GLY 443 HN GLY 443 6.165 -12.955 -4.646 105 HA2 GLY 443 HA2 GLY 443 7.468 -11.238 -5.582 106 HA3 GLY 443 HA1 GLY 443 7.124 -11.874 -7.184 107 H LYS 444 HN LYS 444 5.370 -10.474 -4.444 108 HA LYS 444 HA LYS 444 4.102 -8.508 -6.221 109 HB2 LYS 444 HB2 LYS 444 2.759 -10.428 -4.419 110 HB3 LYS 444 HB1 LYS 444 2.032 -8.914 -4.889 111 HG2 LYS 444 HG2 LYS 444 2.040 -9.590 -7.235 112 HG3 LYS 444 HG1 LYS 444 2.832 -11.108 -6.805 113 HD2 LYS 444 HD2 LYS 444 0.914 -11.845 -5.588 114 HD3 LYS 444 HD1 LYS 444 0.150 -10.262 -5.721 115 HE2 LYS 444 HE2 LYS 444 -0.773 -11.981 -7.275 116 HE3 LYS 444 HE1 LYS 444 -0.167 -10.531 -8.072 117 HZ1 LYS 444 HZ1 LYS 444 1.679 -11.647 -8.872 118 HZ2 LYS 444 HZ2 LYS 444 0.449 -12.798 -9.040 119 HZ3 LYS 444 HZ3 LYS 444 1.548 -12.914 -7.752 120 H THR 445 HN THR 445 4.328 -6.569 -5.176 121 HA THR 445 HA THR 445 4.472 -6.759 -2.271 122 HB THR 445 HB THR 445 6.050 -5.223 -3.498 123 HG1 THR 445 HG1 THR 445 5.782 -3.511 -1.983 124 HG21 THR 445 HG21 THR 445 4.561 -4.366 -5.239 125 HG22 THR 445 HG22 THR 445 5.251 -3.045 -4.298 126 HG23 THR 445 HG23 THR 445 3.587 -3.553 -4.015 127 H TYR 446 HN TYR 446 2.811 -5.952 -0.963 128 HA TYR 446 HA TYR 446 0.571 -4.641 -2.321 129 HB2 TYR 446 HB2 TYR 446 -0.940 -5.758 -0.602 130 HB3 TYR 446 HB1 TYR 446 -0.319 -6.776 -1.892 131 HD1 TYR 446 HD1 TYR 446 2.007 -8.001 -1.227 132 HD2 TYR 446 HD2 TYR 446 -0.961 -6.618 1.509 133 HE1 TYR 446 HE1 TYR 446 2.765 -9.649 0.443 134 HE2 TYR 446 HE2 TYR 446 -0.177 -8.237 3.186 135 HH TYR 446 HH TYR 446 1.020 -10.450 3.196 136 H TYR 447 HN TYR 447 -0.074 -2.822 -1.485 137 HA TYR 447 HA TYR 447 1.546 -1.759 0.685 138 HB2 TYR 447 HB2 TYR 447 -0.439 -0.339 -1.113 139 HB3 TYR 447 HB1 TYR 447 0.751 0.418 -0.063 140 HD1 TYR 447 HD1 TYR 447 3.131 0.407 -0.681 141 HD2 TYR 447 HD2 TYR 447 0.184 -1.249 -3.257 142 HE1 TYR 447 HE1 TYR 447 4.740 0.446 -2.539 143 HE2 TYR 447 HE2 TYR 447 1.782 -1.214 -5.122 144 HH TYR 447 HH TYR 447 3.799 -0.121 -5.803 145 H TYR 448 HN TYR 448 0.796 -1.499 2.660 146 HA TYR 448 HA TYR 448 -2.052 -1.985 3.126 147 HB2 TYR 448 HB2 TYR 448 -0.836 -3.649 4.213 148 HB3 TYR 448 HB1 TYR 448 0.448 -2.545 4.681 149 HD1 TYR 448 HD2 TYR 448 0.049 -0.928 6.526 150 HD2 TYR 448 HD1 TYR 448 -2.677 -4.068 5.632 151 HE1 TYR 448 HE2 TYR 448 -0.924 -0.723 8.785 152 HE2 TYR 448 HE1 TYR 448 -3.663 -3.868 7.879 153 HH TYR 448 HH TYR 448 -3.013 -1.243 9.947 154 H ASN 449 HN ASN 449 -3.252 -0.317 3.689 155 HA ASN 449 HA ASN 449 -2.051 2.135 4.701 156 HB2 ASN 449 HB2 ASN 449 -3.725 2.312 2.929 157 HB3 ASN 449 HB1 ASN 449 -4.897 1.445 3.920 158 HD21 ASN 449 HD21 ASN 449 -3.221 4.435 3.427 159 HD22 ASN 449 HD22 ASN 449 -4.160 5.386 4.528 160 H ASN 450 HN ASN 450 -2.231 2.840 6.765 161 HA ASN 450 HA ASN 450 -3.094 0.875 8.725 162 HB2 ASN 450 HB2 ASN 450 -1.671 3.531 8.997 163 HB3 ASN 450 HB1 ASN 450 -2.103 2.513 10.365 164 HD21 ASN 450 HD21 ASN 450 -0.014 2.898 7.615 165 HD22 ASN 450 HD22 ASN 450 1.100 1.641 8.040 166 H ARG 451 HN ARG 451 -4.230 3.794 7.351 167 HA ARG 451 HA ARG 451 -5.788 4.674 9.574 168 HB2 ARG 451 HB2 ARG 451 -4.954 6.295 8.048 169 HB3 ARG 451 HB1 ARG 451 -5.667 5.470 6.677 170 HG2 ARG 451 HG2 ARG 451 -7.866 6.122 7.349 171 HG3 ARG 451 HG1 ARG 451 -7.248 6.796 8.860 172 HD2 ARG 451 HD2 ARG 451 -7.726 8.449 6.992 173 HD3 ARG 451 HD1 ARG 451 -6.138 8.550 7.751 174 HE ARG 451 HE ARG 451 -5.253 7.336 5.797 175 HH11 ARG 451 HH11 ARG 451 -8.376 8.920 5.515 176 HH12 ARG 451 HH12 ARG 451 -8.271 9.102 3.790 177 HH21 ARG 451 HH21 ARG 451 -5.128 7.577 3.510 178 HH22 ARG 451 HH22 ARG 451 -6.438 8.334 2.655 179 H THR 452 HN THR 452 -6.509 2.785 6.664 180 HA THR 452 HA THR 452 -9.190 2.340 7.792 181 HB THR 452 HB THR 452 -9.387 3.804 5.847 182 HG1 THR 452 HG1 THR 452 -10.326 1.143 5.612 183 HG21 THR 452 HG21 THR 452 -7.353 3.162 4.660 184 HG22 THR 452 HG22 THR 452 -8.765 3.040 3.608 185 HG23 THR 452 HG23 THR 452 -8.052 1.584 4.302 186 H LEU 453 HN LEU 453 -6.389 0.937 7.528 187 HA LEU 453 HA LEU 453 -5.607 -1.199 7.515 188 HB2 LEU 453 HB2 LEU 453 -8.533 -1.901 7.804 189 HB3 LEU 453 HB1 LEU 453 -7.188 -2.980 8.120 190 HG LEU 453 HG LEU 453 -7.855 -0.473 9.668 191 HD11 LEU 453 HD11 LEU 453 -9.379 -2.343 10.084 192 HD12 LEU 453 HD12 LEU 453 -8.373 -1.990 11.487 193 HD13 LEU 453 HD13 LEU 453 -8.000 -3.376 10.463 194 HD21 LEU 453 HD21 LEU 453 -5.443 -0.834 9.546 195 HD22 LEU 453 HD22 LEU 453 -5.659 -2.494 10.103 196 HD23 LEU 453 HD23 LEU 453 -6.054 -1.146 11.171 197 H GLU 454 HN GLU 454 -6.184 0.049 4.997 198 HA GLU 454 HA GLU 454 -7.432 -2.053 3.405 199 HB2 GLU 454 HB2 GLU 454 -8.338 0.144 3.027 200 HB3 GLU 454 HB1 GLU 454 -6.735 0.797 2.717 201 HG2 GLU 454 HG2 GLU 454 -6.555 -0.493 0.690 202 HG3 GLU 454 HG1 GLU 454 -8.092 -1.287 1.023 203 H SER 455 HN SER 455 -6.090 -3.564 2.656 204 HA SER 455 HA SER 455 -3.411 -2.752 1.800 205 HB2 SER 455 HB2 SER 455 -3.073 -5.304 1.731 206 HB3 SER 455 HB1 SER 455 -3.251 -4.551 3.315 207 HG SER 455 HG SER 455 -4.846 -5.877 3.599 208 H ASP 456 HN ASP 456 -3.040 -2.456 -0.298 209 HA ASP 456 HA ASP 456 -4.459 -4.086 -2.267 210 HB2 ASP 456 HB2 ASP 456 -5.696 -1.871 -1.853 211 HB3 ASP 456 HB1 ASP 456 -4.320 -1.099 -2.638 212 H TRP 457 HN TRP 457 -3.417 -4.139 -4.327 213 HA TRP 457 HA TRP 457 -0.540 -4.027 -3.997 214 HB2 TRP 457 HB2 TRP 457 -1.834 -4.919 -6.538 215 HB3 TRP 457 HB1 TRP 457 -0.415 -5.563 -5.721 216 HD1 TRP 457 HD1 TRP 457 -4.257 -5.621 -5.490 217 HE1 TRP 457 HE1 TRP 457 -4.972 -7.763 -4.243 218 HE3 TRP 457 HE3 TRP 457 0.371 -7.384 -4.210 219 HZ2 TRP 457 HZ2 TRP 457 -3.718 -9.925 -2.913 220 HZ3 TRP 457 HZ3 TRP 457 0.527 -9.499 -2.962 221 HH2 TRP 457 HH2 TRP 457 -1.476 -10.739 -2.328 222 H GLU 458 HN GLU 458 -2.907 -1.998 -5.255 223 HA GLU 458 HA GLU 458 -1.185 -0.916 -7.363 224 HB2 GLU 458 HB2 GLU 458 -4.075 -0.368 -6.670 225 HB3 GLU 458 HB1 GLU 458 -3.209 0.357 -8.013 226 HG2 GLU 458 HG2 GLU 458 -3.821 -2.562 -7.648 227 HG3 GLU 458 HG1 GLU 458 -4.579 -1.460 -8.796 228 H LYS 459 HN LYS 459 -0.837 1.388 -7.512 229 HA LYS 459 HA LYS 459 -0.126 2.503 -4.974 230 HB2 LYS 459 HB2 LYS 459 0.262 3.272 -7.817 231 HB3 LYS 459 HB1 LYS 459 0.387 4.536 -6.602 232 HG2 LYS 459 HG2 LYS 459 2.056 3.067 -5.418 233 HG3 LYS 459 HG1 LYS 459 2.055 2.053 -6.863 234 HD2 LYS 459 HD2 LYS 459 2.876 3.818 -8.213 235 HD3 LYS 459 HD1 LYS 459 2.587 5.012 -6.945 236 HE2 LYS 459 HE2 LYS 459 4.279 3.841 -5.547 237 HE3 LYS 459 HE1 LYS 459 4.622 2.789 -6.923 238 HZ1 LYS 459 HZ1 LYS 459 6.182 4.653 -6.717 239 HZ2 LYS 459 HZ2 LYS 459 4.903 5.752 -6.943 240 HZ3 LYS 459 HZ3 LYS 459 5.338 4.681 -8.186 241 HA PRO 460 HA PRO 460 -3.840 4.977 -4.562 242 HB2 PRO 460 HB2 PRO 460 -3.437 5.693 -2.032 243 HB3 PRO 460 HB1 PRO 460 -3.841 4.017 -2.430 244 HG2 PRO 460 HG2 PRO 460 -1.165 5.223 -1.822 245 HG3 PRO 460 HG1 PRO 460 -1.862 3.699 -1.242 246 HD2 PRO 460 HD2 PRO 460 -0.097 3.898 -3.346 247 HD3 PRO 460 HD1 PRO 460 -1.251 2.569 -3.129 248 H GLN 461 HN GLN 461 -4.031 7.278 -3.337 249 HA GLN 461 HA GLN 461 -2.411 9.060 -4.898 250 HB2 GLN 461 HB2 GLN 461 -4.790 9.503 -4.465 251 HB3 GLN 461 HB1 GLN 461 -4.466 9.612 -2.743 252 HG2 GLN 461 HG2 GLN 461 -4.738 11.811 -3.687 253 HG3 GLN 461 HG1 GLN 461 -3.080 11.591 -3.131 254 HE21 GLN 461 HE21 GLN 461 -1.418 11.484 -4.628 255 HE22 GLN 461 HE22 GLN 461 -1.624 11.981 -6.277 256 H GLU 462 HN GLU 462 -2.152 7.647 -1.821 257 HA GLU 462 HA GLU 462 -0.568 9.795 -0.682 258 HB2 GLU 462 HB2 GLU 462 -1.230 7.091 0.489 259 HB3 GLU 462 HB1 GLU 462 -0.531 8.455 1.346 260 HG2 GLU 462 HG2 GLU 462 -2.664 8.764 1.983 261 HG3 GLU 462 HG1 GLU 462 -2.767 9.611 0.440 262 H LEU 463 HN LEU 463 0.156 7.431 -2.826 263 HA LEU 463 HA LEU 463 2.957 7.442 -2.071 264 HB2 LEU 463 HB2 LEU 463 1.819 5.538 -0.830 265 HB3 LEU 463 HB1 LEU 463 1.552 4.795 -2.395 266 HG LEU 463 HG LEU 463 3.983 4.697 -2.763 267 HD11 LEU 463 HD11 LEU 463 5.517 5.190 -0.926 268 HD12 LEU 463 HD12 LEU 463 4.169 5.783 0.045 269 HD13 LEU 463 HD13 LEU 463 4.635 6.632 -1.429 270 HD21 LEU 463 HD21 LEU 463 3.047 3.484 -0.165 271 HD22 LEU 463 HD22 LEU 463 4.457 2.966 -1.088 272 HD23 LEU 463 HD23 LEU 463 2.842 2.796 -1.775 273 H LYS 464 HN LYS 464 1.146 8.268 -4.291 274 HA LYS 464 HA LYS 464 1.549 6.570 -6.526 275 HB2 LYS 464 HB2 LYS 464 -0.291 8.209 -6.367 276 HB3 LYS 464 HB1 LYS 464 0.881 9.517 -6.432 277 HG2 LYS 464 HG2 LYS 464 1.580 8.356 -8.677 278 HG3 LYS 464 HG1 LYS 464 -0.054 7.698 -8.587 279 HD2 LYS 464 HD2 LYS 464 -0.436 9.638 -9.759 280 HD3 LYS 464 HD1 LYS 464 -0.711 10.184 -8.104 281 HE2 LYS 464 HE2 LYS 464 1.855 10.499 -9.667 282 HE3 LYS 464 HE1 LYS 464 0.668 11.767 -9.377 283 HZ1 LYS 464 HZ1 LYS 464 1.111 11.530 -6.982 284 HZ2 LYS 464 HZ2 LYS 464 2.486 11.985 -7.855 285 HZ3 LYS 464 HZ3 LYS 464 2.320 10.385 -7.322 Start of MODEL 3 1 H1 GLY 428 HT1 GLY 428 -2.264 10.264 10.221 2 H2 GLY 428 HT2 GLY 428 -2.606 11.807 9.610 3 H3 GLY 428 HT3 GLY 428 -1.908 10.632 8.605 4 HA2 GLY 428 HA1 GLY 428 -3.875 9.311 8.641 5 HA3 GLY 428 HA2 GLY 428 -4.597 10.385 9.830 6 H ALA 429 HN ALA 429 -2.688 11.462 7.065 7 HA ALA 429 HA ALA 429 -4.901 12.186 5.467 8 HB1 ALA 429 HB1 ALA 429 -4.899 14.592 5.768 9 HB2 ALA 429 HB2 ALA 429 -3.681 14.434 7.033 10 HB3 ALA 429 HB3 ALA 429 -5.299 13.776 7.280 11 H THR 430 HN THR 430 -1.744 13.336 6.367 12 HA THR 430 HA THR 430 -1.126 13.632 3.498 13 HB THR 430 HB THR 430 -1.411 15.800 4.698 14 HG1 THR 430 HG1 THR 430 0.056 15.503 2.856 15 HG21 THR 430 HG21 THR 430 0.342 16.539 6.248 16 HG22 THR 430 HG22 THR 430 1.067 14.933 6.191 17 HG23 THR 430 HG23 THR 430 -0.540 15.149 6.883 18 H ALA 431 HN ALA 431 -0.387 11.781 6.096 19 HA ALA 431 HA ALA 431 2.490 11.741 5.761 20 HB1 ALA 431 HB1 ALA 431 1.533 11.382 7.981 21 HB2 ALA 431 HB2 ALA 431 2.469 9.984 7.452 22 HB3 ALA 431 HB3 ALA 431 0.708 9.938 7.395 23 H VAL 432 HN VAL 432 3.363 10.773 4.070 24 HA VAL 432 HA VAL 432 1.902 8.954 2.430 25 HB VAL 432 HB VAL 432 3.664 10.543 1.606 26 HG11 VAL 432 HG11 VAL 432 5.365 10.199 3.283 27 HG12 VAL 432 HG12 VAL 432 6.013 9.813 1.687 28 HG13 VAL 432 HG13 VAL 432 5.553 8.516 2.790 29 HG21 VAL 432 HG21 VAL 432 4.569 9.009 -0.088 30 HG22 VAL 432 HG22 VAL 432 2.841 8.780 0.174 31 HG23 VAL 432 HG23 VAL 432 3.996 7.640 0.865 32 H SER 433 HN SER 433 3.825 8.582 5.209 33 HA SER 433 HA SER 433 4.565 5.839 4.643 34 HB2 SER 433 HB2 SER 433 5.488 6.034 7.028 35 HB3 SER 433 HB1 SER 433 6.259 6.998 5.769 36 HG SER 433 HG SER 433 4.605 7.794 7.896 37 H GLU 434 HN GLU 434 1.723 7.084 5.372 38 HA GLU 434 HA GLU 434 0.873 5.602 7.634 39 HB2 GLU 434 HB2 GLU 434 -0.608 6.854 5.329 40 HB3 GLU 434 HB1 GLU 434 -1.442 5.952 6.587 41 HG2 GLU 434 HG2 GLU 434 -0.699 7.485 8.265 42 HG3 GLU 434 HG1 GLU 434 0.323 8.329 7.104 43 H TRP 435 HN TRP 435 1.904 4.540 4.677 44 HA TRP 435 HA TRP 435 0.344 2.054 4.918 45 HB2 TRP 435 HB2 TRP 435 1.727 2.937 2.387 46 HB3 TRP 435 HB1 TRP 435 0.553 1.642 2.621 47 HD1 TRP 435 HD1 TRP 435 0.340 5.481 3.342 48 HE1 TRP 435 HE1 TRP 435 -1.857 6.323 2.258 49 HE3 TRP 435 HE3 TRP 435 -1.254 1.111 1.267 50 HZ2 TRP 435 HZ2 TRP 435 -3.978 5.256 0.719 51 HZ3 TRP 435 HZ3 TRP 435 -3.372 1.090 -0.002 52 HH2 TRP 435 HH2 TRP 435 -4.702 3.125 -0.272 53 H THR 436 HN THR 436 1.421 0.137 4.763 54 HA THR 436 HA THR 436 4.317 0.241 4.297 55 HB THR 436 HB THR 436 3.026 -1.643 6.284 56 HG1 THR 436 HG1 THR 436 3.767 0.992 6.545 57 HG21 THR 436 HG21 THR 436 5.910 -0.877 5.785 58 HG22 THR 436 HG22 THR 436 5.150 -2.394 5.303 59 HG23 THR 436 HG23 THR 436 5.337 -2.008 7.013 60 H GLU 437 HN GLU 437 4.748 -0.903 2.507 61 HA GLU 437 HA GLU 437 2.846 -2.913 1.626 62 HB2 GLU 437 HB2 GLU 437 4.471 -3.063 -0.385 63 HB3 GLU 437 HB1 GLU 437 3.467 -1.619 -0.208 64 HG2 GLU 437 HG2 GLU 437 5.276 -0.370 0.670 65 HG3 GLU 437 HG1 GLU 437 6.313 -1.797 0.745 66 H TYR 438 HN TYR 438 3.529 -4.985 0.971 67 HA TYR 438 HA TYR 438 5.755 -6.085 2.503 68 HB2 TYR 438 HB2 TYR 438 2.847 -6.907 2.825 69 HB3 TYR 438 HB1 TYR 438 4.203 -7.874 3.388 70 HD1 TYR 438 HD1 TYR 438 5.840 -6.649 5.036 71 HD2 TYR 438 HD2 TYR 438 1.831 -5.434 4.293 72 HE1 TYR 438 HE1 TYR 438 5.810 -5.455 7.183 73 HE2 TYR 438 HE2 TYR 438 1.790 -4.235 6.440 74 HH TYR 438 HH TYR 438 3.021 -4.397 8.660 75 H LYS 439 HN LYS 439 6.336 -8.201 1.578 76 HA LYS 439 HA LYS 439 5.038 -8.406 -1.048 77 HB2 LYS 439 HB2 LYS 439 7.544 -7.677 -0.820 78 HB3 LYS 439 HB1 LYS 439 7.801 -9.421 -0.696 79 HG2 LYS 439 HG2 LYS 439 7.916 -9.044 -2.995 80 HG3 LYS 439 HG1 LYS 439 6.237 -9.542 -2.721 81 HD2 LYS 439 HD2 LYS 439 6.183 -7.688 -4.148 82 HD3 LYS 439 HD1 LYS 439 5.497 -7.285 -2.626 83 HE2 LYS 439 HE2 LYS 439 8.408 -6.680 -3.239 84 HE3 LYS 439 HE1 LYS 439 7.127 -5.589 -3.754 85 HZ1 LYS 439 HZ1 LYS 439 8.002 -4.835 -1.684 86 HZ2 LYS 439 HZ2 LYS 439 7.798 -6.354 -0.961 87 HZ3 LYS 439 HZ3 LYS 439 6.442 -5.433 -1.400 88 H THR 440 HN THR 440 4.437 -10.267 -1.851 89 HA THR 440 HA THR 440 4.550 -12.627 -0.134 90 HB THR 440 HB THR 440 3.142 -13.675 -1.917 91 HG1 THR 440 HG1 THR 440 2.781 -12.644 -3.752 92 HG21 THR 440 HG21 THR 440 2.093 -12.549 -0.006 93 HG22 THR 440 HG22 THR 440 1.129 -12.356 -1.470 94 HG23 THR 440 HG23 THR 440 2.125 -11.022 -0.889 95 H ALA 441 HN ALA 441 5.433 -14.627 -0.836 96 HA ALA 441 HA ALA 441 8.006 -14.475 -1.889 97 HB1 ALA 441 HB1 ALA 441 7.952 -16.919 -1.933 98 HB2 ALA 441 HB2 ALA 441 6.201 -16.887 -1.726 99 HB3 ALA 441 HB3 ALA 441 7.251 -16.286 -0.443 100 H ASP 442 HN ASP 442 4.957 -14.967 -3.483 101 HA ASP 442 HA ASP 442 6.018 -15.931 -5.954 102 HB2 ASP 442 HB2 ASP 442 3.649 -15.335 -6.763 103 HB3 ASP 442 HB1 ASP 442 3.810 -16.575 -5.522 104 H GLY 443 HN GLY 443 6.215 -12.916 -4.603 105 HA2 GLY 443 HA2 GLY 443 7.421 -11.177 -5.617 106 HA3 GLY 443 HA1 GLY 443 7.040 -11.858 -7.190 107 H LYS 444 HN LYS 444 5.059 -10.715 -4.465 108 HA LYS 444 HA LYS 444 3.841 -8.697 -6.262 109 HB2 LYS 444 HB2 LYS 444 2.566 -10.456 -4.255 110 HB3 LYS 444 HB1 LYS 444 1.819 -9.017 -4.896 111 HG2 LYS 444 HG2 LYS 444 1.922 -10.021 -7.176 112 HG3 LYS 444 HG1 LYS 444 2.568 -11.496 -6.454 113 HD2 LYS 444 HD2 LYS 444 0.514 -11.673 -5.081 114 HD3 LYS 444 HD1 LYS 444 -0.132 -10.267 -5.926 115 HE2 LYS 444 HE2 LYS 444 -1.001 -12.335 -6.876 116 HE3 LYS 444 HE1 LYS 444 -0.006 -11.466 -8.043 117 HZ1 LYS 444 HZ1 LYS 444 1.227 -13.545 -6.367 118 HZ2 LYS 444 HZ2 LYS 444 1.657 -13.023 -7.925 119 HZ3 LYS 444 HZ3 LYS 444 0.292 -14.008 -7.705 120 H THR 445 HN THR 445 3.875 -6.698 -5.331 121 HA THR 445 HA THR 445 4.306 -6.736 -2.442 122 HB THR 445 HB THR 445 5.653 -5.165 -3.963 123 HG1 THR 445 HG1 THR 445 5.346 -3.363 -2.389 124 HG21 THR 445 HG21 THR 445 4.635 -3.008 -4.560 125 HG22 THR 445 HG22 THR 445 3.066 -3.599 -4.015 126 HG23 THR 445 HG23 THR 445 3.853 -4.346 -5.404 127 H TYR 446 HN TYR 446 2.759 -5.622 -1.051 128 HA TYR 446 HA TYR 446 0.391 -4.500 -2.315 129 HB2 TYR 446 HB2 TYR 446 -1.097 -5.715 -0.690 130 HB3 TYR 446 HB1 TYR 446 -0.381 -6.715 -1.945 131 HD1 TYR 446 HD1 TYR 446 1.894 -7.917 -1.228 132 HD2 TYR 446 HD2 TYR 446 -1.084 -6.481 1.471 133 HE1 TYR 446 HE1 TYR 446 2.666 -9.508 0.491 134 HE2 TYR 446 HE2 TYR 446 -0.297 -8.050 3.190 135 HH TYR 446 HH TYR 446 2.647 -9.778 2.901 136 H TYR 447 HN TYR 447 -0.294 -2.710 -1.381 137 HA TYR 447 HA TYR 447 1.314 -1.718 0.832 138 HB2 TYR 447 HB2 TYR 447 -0.693 -0.298 -0.934 139 HB3 TYR 447 HB1 TYR 447 0.313 0.466 0.283 140 HD1 TYR 447 HD1 TYR 447 0.492 -1.415 -2.930 141 HD2 TYR 447 HD2 TYR 447 2.414 1.254 -0.234 142 HE1 TYR 447 HE1 TYR 447 2.231 -0.973 -4.615 143 HE2 TYR 447 HE2 TYR 447 4.154 1.695 -1.902 144 HH TYR 447 HH TYR 447 5.117 0.800 -3.831 145 H TYR 448 HN TYR 448 0.603 -1.839 2.817 146 HA TYR 448 HA TYR 448 -2.258 -2.118 3.340 147 HB2 TYR 448 HB2 TYR 448 -0.862 -3.757 4.409 148 HB3 TYR 448 HB1 TYR 448 0.206 -2.514 5.042 149 HD1 TYR 448 HD1 TYR 448 -0.755 -0.890 6.758 150 HD2 TYR 448 HD2 TYR 448 -2.664 -4.538 5.679 151 HE1 TYR 448 HE1 TYR 448 -2.015 -0.870 8.886 152 HE2 TYR 448 HE2 TYR 448 -3.933 -4.515 7.781 153 HH TYR 448 HH TYR 448 -3.675 -3.550 10.060 154 H ASN 449 HN ASN 449 -3.385 -0.335 3.789 155 HA ASN 449 HA ASN 449 -2.007 2.061 4.726 156 HB2 ASN 449 HB2 ASN 449 -3.672 2.264 2.918 157 HB3 ASN 449 HB1 ASN 449 -4.913 1.631 3.995 158 HD21 ASN 449 HD21 ASN 449 -2.344 3.913 4.817 159 HD22 ASN 449 HD22 ASN 449 -3.398 5.235 5.177 160 H ASN 450 HN ASN 450 -1.814 2.462 6.822 161 HA ASN 450 HA ASN 450 -3.228 0.938 8.797 162 HB2 ASN 450 HB2 ASN 450 -1.357 3.303 9.038 163 HB3 ASN 450 HB1 ASN 450 -2.034 2.450 10.419 164 HD21 ASN 450 HD21 ASN 450 0.223 2.330 7.795 165 HD22 ASN 450 HD22 ASN 450 1.075 0.923 8.330 166 H ARG 451 HN ARG 451 -4.115 3.562 6.993 167 HA ARG 451 HA ARG 451 -5.415 5.084 9.068 168 HB2 ARG 451 HB2 ARG 451 -4.368 6.168 7.113 169 HB3 ARG 451 HB1 ARG 451 -5.529 5.375 6.062 170 HG2 ARG 451 HG2 ARG 451 -7.339 6.622 7.050 171 HG3 ARG 451 HG1 ARG 451 -6.237 7.342 8.227 172 HD2 ARG 451 HD2 ARG 451 -6.623 8.936 6.474 173 HD3 ARG 451 HD1 ARG 451 -4.967 8.345 6.346 174 HE ARG 451 HE ARG 451 -7.171 7.400 4.618 175 HH11 ARG 451 HH11 ARG 451 -3.799 8.272 5.095 176 HH12 ARG 451 HH12 ARG 451 -3.416 8.138 3.402 177 HH21 ARG 451 HH21 ARG 451 -6.633 7.208 2.408 178 HH22 ARG 451 HH22 ARG 451 -5.000 7.511 1.874 179 H THR 452 HN THR 452 -6.294 2.563 6.829 180 HA THR 452 HA THR 452 -8.997 2.606 7.935 181 HB THR 452 HB THR 452 -9.137 3.884 5.843 182 HG1 THR 452 HG1 THR 452 -10.729 2.552 4.788 183 HG21 THR 452 HG21 THR 452 -8.067 1.399 4.519 184 HG22 THR 452 HG22 THR 452 -7.232 2.945 4.668 185 HG23 THR 452 HG23 THR 452 -8.690 2.821 3.682 186 H LEU 453 HN LEU 453 -6.318 1.001 7.739 187 HA LEU 453 HA LEU 453 -5.637 -1.162 7.879 188 HB2 LEU 453 HB2 LEU 453 -8.553 -1.794 8.313 189 HB3 LEU 453 HB1 LEU 453 -7.183 -2.767 8.806 190 HG LEU 453 HG LEU 453 -7.915 -0.064 9.930 191 HD11 LEU 453 HD11 LEU 453 -8.453 -1.292 11.958 192 HD12 LEU 453 HD12 LEU 453 -8.070 -2.814 11.152 193 HD13 LEU 453 HD13 LEU 453 -9.442 -1.849 10.608 194 HD21 LEU 453 HD21 LEU 453 -5.506 -0.405 9.923 195 HD22 LEU 453 HD22 LEU 453 -5.716 -1.971 10.705 196 HD23 LEU 453 HD23 LEU 453 -6.147 -0.492 11.564 197 H GLU 454 HN GLU 454 -6.431 -0.096 5.279 198 HA GLU 454 HA GLU 454 -7.591 -2.464 4.007 199 HB2 GLU 454 HB2 GLU 454 -8.912 -0.396 3.805 200 HB3 GLU 454 HB1 GLU 454 -7.553 0.382 3.010 201 HG2 GLU 454 HG2 GLU 454 -7.835 -0.812 1.063 202 HG3 GLU 454 HG1 GLU 454 -8.701 -2.119 1.870 203 H SER 455 HN SER 455 -6.555 -3.473 2.345 204 HA SER 455 HA SER 455 -3.821 -2.513 1.814 205 HB2 SER 455 HB2 SER 455 -3.296 -4.974 1.481 206 HB3 SER 455 HB1 SER 455 -3.689 -4.497 3.133 207 HG SER 455 HG SER 455 -5.930 -5.175 1.790 208 H ASP 456 HN ASP 456 -3.372 -2.010 -0.234 209 HA ASP 456 HA ASP 456 -4.878 -3.359 -2.379 210 HB2 ASP 456 HB2 ASP 456 -5.685 -1.004 -2.032 211 HB3 ASP 456 HB1 ASP 456 -4.065 -0.441 -2.433 212 H TRP 457 HN TRP 457 -3.704 -3.978 -4.126 213 HA TRP 457 HA TRP 457 -0.854 -4.203 -3.760 214 HB2 TRP 457 HB2 TRP 457 -2.292 -4.944 -6.294 215 HB3 TRP 457 HB1 TRP 457 -0.889 -5.709 -5.557 216 HD1 TRP 457 HD1 TRP 457 -4.679 -5.363 -5.028 217 HE1 TRP 457 HE1 TRP 457 -5.516 -7.474 -3.776 218 HE3 TRP 457 HE3 TRP 457 -0.179 -7.644 -4.224 219 HZ2 TRP 457 HZ2 TRP 457 -4.374 -9.809 -2.619 220 HZ3 TRP 457 HZ3 TRP 457 -0.128 -9.804 -3.051 221 HH2 TRP 457 HH2 TRP 457 -2.178 -10.862 -2.267 222 H GLU 458 HN GLU 458 -2.936 -1.994 -5.144 223 HA GLU 458 HA GLU 458 -1.061 -1.122 -7.199 224 HB2 GLU 458 HB2 GLU 458 -3.915 -0.340 -6.599 225 HB3 GLU 458 HB1 GLU 458 -2.962 0.306 -7.914 226 HG2 GLU 458 HG2 GLU 458 -2.713 -2.015 -8.786 227 HG3 GLU 458 HG1 GLU 458 -3.868 -2.524 -7.552 228 H LYS 459 HN LYS 459 -0.369 1.046 -7.314 229 HA LYS 459 HA LYS 459 0.391 2.076 -4.769 230 HB2 LYS 459 HB2 LYS 459 0.767 3.301 -7.506 231 HB3 LYS 459 HB1 LYS 459 1.644 3.729 -6.044 232 HG2 LYS 459 HG2 LYS 459 2.637 1.501 -5.974 233 HG3 LYS 459 HG1 LYS 459 1.739 1.053 -7.424 234 HD2 LYS 459 HD2 LYS 459 3.958 1.610 -8.090 235 HD3 LYS 459 HD1 LYS 459 2.898 2.917 -8.619 236 HE2 LYS 459 HE2 LYS 459 4.854 3.913 -7.694 237 HE3 LYS 459 HE1 LYS 459 3.543 4.163 -6.545 238 HZ1 LYS 459 HZ1 LYS 459 5.565 3.486 -5.420 239 HZ2 LYS 459 HZ2 LYS 459 5.647 2.072 -6.359 240 HZ3 LYS 459 HZ3 LYS 459 4.380 2.279 -5.257 241 HA PRO 460 HA PRO 460 -3.263 4.556 -4.140 242 HB2 PRO 460 HB2 PRO 460 -2.257 5.933 -1.990 243 HB3 PRO 460 HB1 PRO 460 -2.955 4.312 -1.893 244 HG2 PRO 460 HG2 PRO 460 -0.080 5.135 -2.040 245 HG3 PRO 460 HG1 PRO 460 -0.840 3.890 -1.030 246 HD2 PRO 460 HD2 PRO 460 0.512 3.255 -3.254 247 HD3 PRO 460 HD1 PRO 460 -0.949 2.367 -2.772 248 H GLN 461 HN GLN 461 -3.856 6.823 -4.079 249 HA GLN 461 HA GLN 461 -2.393 8.321 -6.017 250 HB2 GLN 461 HB2 GLN 461 -4.860 8.333 -5.870 251 HB3 GLN 461 HB1 GLN 461 -4.755 9.147 -4.318 252 HG2 GLN 461 HG2 GLN 461 -5.309 10.638 -6.217 253 HG3 GLN 461 HG1 GLN 461 -3.868 11.116 -5.325 254 HE21 GLN 461 HE21 GLN 461 -1.900 11.067 -6.313 255 HE22 GLN 461 HE22 GLN 461 -1.689 10.805 -8.012 256 H GLU 462 HN GLU 462 -2.338 8.149 -2.589 257 HA GLU 462 HA GLU 462 -1.090 10.709 -2.189 258 HB2 GLU 462 HB2 GLU 462 -0.958 8.306 -0.359 259 HB3 GLU 462 HB1 GLU 462 -0.700 9.989 0.073 260 HG2 GLU 462 HG2 GLU 462 -2.803 9.772 0.834 261 HG3 GLU 462 HG1 GLU 462 -3.191 10.190 -0.835 262 H LEU 463 HN LEU 463 -0.085 7.969 -3.698 263 HA LEU 463 HA LEU 463 2.748 8.469 -3.080 264 HB2 LEU 463 HB2 LEU 463 1.852 6.454 -1.913 265 HB3 LEU 463 HB1 LEU 463 1.458 5.768 -3.475 266 HG LEU 463 HG LEU 463 3.910 5.877 -4.038 267 HD11 LEU 463 HD11 LEU 463 5.483 6.060 -2.193 268 HD12 LEU 463 HD12 LEU 463 4.158 6.420 -1.086 269 HD13 LEU 463 HD13 LEU 463 4.558 7.548 -2.382 270 HD21 LEU 463 HD21 LEU 463 2.798 3.814 -3.373 271 HD22 LEU 463 HD22 LEU 463 3.098 4.193 -1.677 272 HD23 LEU 463 HD23 LEU 463 4.451 3.876 -2.763 273 H LYS 464 HN LYS 464 0.523 8.745 -5.388 274 HA LYS 464 HA LYS 464 2.337 7.864 -7.530 275 HB2 LYS 464 HB2 LYS 464 0.189 6.506 -7.269 276 HB3 LYS 464 HB1 LYS 464 -0.665 7.950 -7.794 277 HG2 LYS 464 HG2 LYS 464 0.918 7.877 -9.827 278 HG3 LYS 464 HG1 LYS 464 1.212 6.209 -9.337 279 HD2 LYS 464 HD2 LYS 464 -0.551 5.830 -10.714 280 HD3 LYS 464 HD1 LYS 464 -1.456 6.205 -9.245 281 HE2 LYS 464 HE2 LYS 464 -0.798 8.102 -11.498 282 HE3 LYS 464 HE1 LYS 464 -2.380 7.417 -11.130 283 HZ1 LYS 464 HZ1 LYS 464 -0.846 9.241 -9.344 284 HZ2 LYS 464 HZ2 LYS 464 -2.400 8.630 -9.059 285 HZ3 LYS 464 HZ3 LYS 464 -2.141 9.702 -10.340 Start of MODEL 4 1 H1 GLY 428 HT1 GLY 428 -6.413 16.494 12.714 2 H2 GLY 428 HT2 GLY 428 -8.062 16.800 12.989 3 H3 GLY 428 HT3 GLY 428 -7.117 17.924 12.139 4 HA2 GLY 428 HA1 GLY 428 -7.692 15.169 11.208 5 HA3 GLY 428 HA2 GLY 428 -8.571 16.599 10.680 6 H ALA 429 HN ALA 429 -5.900 14.600 10.118 7 HA ALA 429 HA ALA 429 -5.009 16.376 7.983 8 HB1 ALA 429 HB1 ALA 429 -3.607 16.977 9.909 9 HB2 ALA 429 HB2 ALA 429 -2.667 16.241 8.611 10 HB3 ALA 429 HB3 ALA 429 -3.086 15.298 10.041 11 H THR 430 HN THR 430 -3.056 15.187 6.859 12 HA THR 430 HA THR 430 -3.316 12.291 6.900 13 HB THR 430 HB THR 430 -3.631 13.893 4.344 14 HG1 THR 430 HG1 THR 430 -5.447 12.875 6.170 15 HG21 THR 430 HG21 THR 430 -2.467 11.755 4.024 16 HG22 THR 430 HG22 THR 430 -4.075 11.723 3.299 17 HG23 THR 430 HG23 THR 430 -3.785 10.914 4.839 18 H ALA 431 HN ALA 431 -1.316 11.464 6.892 19 HA ALA 431 HA ALA 431 0.892 13.301 6.364 20 HB1 ALA 431 HB1 ALA 431 2.275 11.665 7.528 21 HB2 ALA 431 HB2 ALA 431 0.902 10.562 7.624 22 HB3 ALA 431 HB3 ALA 431 0.863 12.097 8.491 23 H VAL 432 HN VAL 432 2.922 12.124 5.462 24 HA VAL 432 HA VAL 432 2.134 10.978 2.905 25 HB VAL 432 HB VAL 432 4.504 11.261 2.265 26 HG11 VAL 432 HG11 VAL 432 4.524 13.716 2.265 27 HG12 VAL 432 HG12 VAL 432 3.236 13.718 3.469 28 HG13 VAL 432 HG13 VAL 432 2.935 13.070 1.857 29 HG21 VAL 432 HG21 VAL 432 6.030 12.486 3.753 30 HG22 VAL 432 HG22 VAL 432 5.550 10.931 4.434 31 HG23 VAL 432 HG23 VAL 432 4.819 12.421 5.033 32 H SER 433 HN SER 433 2.751 8.970 2.179 33 HA SER 433 HA SER 433 3.354 6.785 2.244 34 HB2 SER 433 HB2 SER 433 5.409 7.769 4.238 35 HB3 SER 433 HB1 SER 433 5.476 6.247 3.346 36 HG SER 433 HG SER 433 6.461 8.531 2.584 37 H GLU 434 HN GLU 434 1.194 7.493 3.888 38 HA GLU 434 HA GLU 434 1.375 6.306 6.470 39 HB2 GLU 434 HB2 GLU 434 -1.053 6.829 4.746 40 HB3 GLU 434 HB1 GLU 434 -1.088 6.413 6.454 41 HG2 GLU 434 HG2 GLU 434 0.184 8.465 6.928 42 HG3 GLU 434 HG1 GLU 434 0.069 8.903 5.229 43 H TRP 435 HN TRP 435 1.806 4.861 3.658 44 HA TRP 435 HA TRP 435 0.324 2.429 4.374 45 HB2 TRP 435 HB2 TRP 435 1.475 3.178 1.679 46 HB3 TRP 435 HB1 TRP 435 0.561 1.721 2.072 47 HD1 TRP 435 HD1 TRP 435 -0.290 5.501 2.625 48 HE1 TRP 435 HE1 TRP 435 -2.655 5.899 1.669 49 HE3 TRP 435 HE3 TRP 435 -1.215 0.814 0.833 50 HZ2 TRP 435 HZ2 TRP 435 -4.646 4.403 0.340 51 HZ3 TRP 435 HZ3 TRP 435 -3.374 0.377 -0.269 52 HH2 TRP 435 HH2 TRP 435 -5.050 2.134 -0.513 53 H THR 436 HN THR 436 1.400 0.489 4.382 54 HA THR 436 HA THR 436 4.312 0.566 3.975 55 HB THR 436 HB THR 436 2.941 -1.024 6.156 56 HG1 THR 436 HG1 THR 436 3.963 1.589 6.089 57 HG21 THR 436 HG21 THR 436 5.849 -0.381 5.630 58 HG22 THR 436 HG22 THR 436 5.075 -1.948 5.389 59 HG23 THR 436 HG23 THR 436 5.234 -1.283 7.015 60 H GLU 437 HN GLU 437 4.706 -0.721 2.275 61 HA GLU 437 HA GLU 437 2.741 -2.747 1.617 62 HB2 GLU 437 HB2 GLU 437 4.182 -2.959 -0.517 63 HB3 GLU 437 HB1 GLU 437 3.143 -1.556 -0.297 64 HG2 GLU 437 HG2 GLU 437 5.066 -0.625 -1.079 65 HG3 GLU 437 HG1 GLU 437 5.247 -0.421 0.659 66 H TYR 438 HN TYR 438 3.384 -4.833 0.887 67 HA TYR 438 HA TYR 438 5.575 -5.956 2.447 68 HB2 TYR 438 HB2 TYR 438 2.642 -6.611 2.862 69 HB3 TYR 438 HB1 TYR 438 3.953 -7.646 3.416 70 HD1 TYR 438 HD2 TYR 438 5.684 -6.564 5.002 71 HD2 TYR 438 HD1 TYR 438 1.829 -4.927 4.256 72 HE1 TYR 438 HE2 TYR 438 5.833 -5.276 7.090 73 HE2 TYR 438 HE1 TYR 438 1.969 -3.634 6.341 74 HH TYR 438 HH TYR 438 4.890 -3.290 8.098 75 H LYS 439 HN LYS 439 5.988 -8.200 1.652 76 HA LYS 439 HA LYS 439 4.817 -8.317 -1.041 77 HB2 LYS 439 HB2 LYS 439 7.315 -7.592 -0.702 78 HB3 LYS 439 HB1 LYS 439 7.567 -9.338 -0.597 79 HG2 LYS 439 HG2 LYS 439 7.794 -8.891 -2.883 80 HG3 LYS 439 HG1 LYS 439 6.121 -9.445 -2.694 81 HD2 LYS 439 HD2 LYS 439 6.096 -7.563 -4.094 82 HD3 LYS 439 HD1 LYS 439 5.292 -7.240 -2.607 83 HE2 LYS 439 HE2 LYS 439 8.188 -6.443 -3.089 84 HE3 LYS 439 HE1 LYS 439 6.845 -5.402 -3.538 85 HZ1 LYS 439 HZ1 LYS 439 7.470 -4.636 -1.462 86 HZ2 LYS 439 HZ2 LYS 439 7.763 -6.184 -0.844 87 HZ3 LYS 439 HZ3 LYS 439 6.170 -5.655 -1.089 88 H THR 440 HN THR 440 4.261 -10.204 -1.889 89 HA THR 440 HA THR 440 4.311 -12.547 -0.144 90 HB THR 440 HB THR 440 3.005 -13.633 -1.978 91 HG1 THR 440 HG1 THR 440 3.023 -12.698 -3.857 92 HG21 THR 440 HG21 THR 440 1.858 -12.501 -0.126 93 HG22 THR 440 HG22 THR 440 0.950 -12.365 -1.633 94 HG23 THR 440 HG23 THR 440 1.885 -10.993 -1.039 95 H ALA 441 HN ALA 441 5.219 -14.551 -0.803 96 HA ALA 441 HA ALA 441 7.861 -14.366 -1.603 97 HB1 ALA 441 HB1 ALA 441 6.952 -16.202 -0.271 98 HB2 ALA 441 HB2 ALA 441 7.875 -16.791 -1.654 99 HB3 ALA 441 HB3 ALA 441 6.112 -16.814 -1.696 100 H ASP 442 HN ASP 442 5.029 -14.814 -3.587 101 HA ASP 442 HA ASP 442 6.515 -15.829 -5.837 102 HB2 ASP 442 HB2 ASP 442 4.399 -15.882 -7.000 103 HB3 ASP 442 HB1 ASP 442 4.185 -16.537 -5.382 104 H GLY 443 HN GLY 443 6.358 -12.835 -4.550 105 HA2 GLY 443 HA2 GLY 443 7.531 -11.022 -5.468 106 HA3 GLY 443 HA1 GLY 443 7.313 -11.711 -7.065 107 H LYS 444 HN LYS 444 5.281 -10.462 -4.434 108 HA LYS 444 HA LYS 444 3.947 -8.641 -6.329 109 HB2 LYS 444 HB2 LYS 444 2.704 -10.577 -4.482 110 HB3 LYS 444 HB1 LYS 444 1.868 -9.168 -5.079 111 HG2 LYS 444 HG2 LYS 444 1.986 -9.967 -7.353 112 HG3 LYS 444 HG1 LYS 444 3.020 -11.311 -6.865 113 HD2 LYS 444 HD2 LYS 444 1.199 -12.252 -5.548 114 HD3 LYS 444 HD1 LYS 444 0.163 -10.892 -5.992 115 HE2 LYS 444 HE2 LYS 444 -0.098 -11.621 -8.154 116 HE3 LYS 444 HE1 LYS 444 1.439 -12.486 -8.161 117 HZ1 LYS 444 HZ1 LYS 444 -1.026 -13.330 -6.730 118 HZ2 LYS 444 HZ2 LYS 444 0.459 -14.145 -6.706 119 HZ3 LYS 444 HZ3 LYS 444 -0.410 -14.021 -8.151 120 H THR 445 HN THR 445 3.729 -6.677 -5.384 121 HA THR 445 HA THR 445 4.125 -6.675 -2.490 122 HB THR 445 HB THR 445 5.460 -5.090 -3.923 123 HG1 THR 445 HG1 THR 445 4.986 -3.213 -2.591 124 HG21 THR 445 HG21 THR 445 2.812 -3.722 -4.406 125 HG22 THR 445 HG22 THR 445 3.791 -4.546 -5.619 126 HG23 THR 445 HG23 THR 445 4.393 -3.080 -4.844 127 H TYR 446 HN TYR 446 2.541 -5.662 -1.134 128 HA TYR 446 HA TYR 446 0.144 -4.602 -2.408 129 HB2 TYR 446 HB2 TYR 446 -1.237 -5.745 -0.596 130 HB3 TYR 446 HB1 TYR 446 -0.640 -6.762 -1.896 131 HD1 TYR 446 HD1 TYR 446 1.719 -7.944 -1.350 132 HD2 TYR 446 HD2 TYR 446 -1.064 -6.515 1.554 133 HE1 TYR 446 HE1 TYR 446 2.616 -9.531 0.307 134 HE2 TYR 446 HE2 TYR 446 -0.145 -8.072 3.216 135 HH TYR 446 HH TYR 446 1.080 -10.152 3.311 136 H TYR 447 HN TYR 447 -0.511 -2.756 -1.554 137 HA TYR 447 HA TYR 447 1.244 -1.634 0.479 138 HB2 TYR 447 HB2 TYR 447 -0.879 -0.217 -1.145 139 HB3 TYR 447 HB1 TYR 447 0.440 0.519 -0.248 140 HD1 TYR 447 HD1 TYR 447 -0.442 -1.390 -3.267 141 HD2 TYR 447 HD2 TYR 447 2.638 0.705 -1.211 142 HE1 TYR 447 HE1 TYR 447 0.907 -1.376 -5.318 143 HE2 TYR 447 HE2 TYR 447 3.999 0.718 -3.261 144 HH TYR 447 HH TYR 447 2.698 -0.179 -6.325 145 H TYR 448 HN TYR 448 0.634 -1.585 2.511 146 HA TYR 448 HA TYR 448 -2.173 -2.002 3.184 147 HB2 TYR 448 HB2 TYR 448 -0.771 -3.569 4.236 148 HB3 TYR 448 HB1 TYR 448 0.447 -2.361 4.616 149 HD1 TYR 448 HD1 TYR 448 -0.020 -0.701 6.431 150 HD2 TYR 448 HD2 TYR 448 -2.472 -4.115 5.758 151 HE1 TYR 448 HE1 TYR 448 -0.886 -0.536 8.740 152 HE2 TYR 448 HE2 TYR 448 -3.359 -3.947 8.044 153 HH TYR 448 HH TYR 448 -2.700 -3.047 10.194 154 H ASN 449 HN ASN 449 -3.397 -0.312 3.747 155 HA ASN 449 HA ASN 449 -2.071 2.172 4.554 156 HB2 ASN 449 HB2 ASN 449 -3.601 2.505 2.761 157 HB3 ASN 449 HB1 ASN 449 -4.866 1.598 3.587 158 HD21 ASN 449 HD21 ASN 449 -2.924 4.546 3.742 159 HD22 ASN 449 HD22 ASN 449 -4.104 5.474 4.599 160 H ASN 450 HN ASN 450 -2.157 2.959 6.535 161 HA ASN 450 HA ASN 450 -3.206 1.279 8.618 162 HB2 ASN 450 HB2 ASN 450 -1.643 3.856 8.651 163 HB3 ASN 450 HB1 ASN 450 -2.173 3.042 10.116 164 HD21 ASN 450 HD21 ASN 450 -0.005 2.947 7.402 165 HD22 ASN 450 HD22 ASN 450 0.997 1.670 8.003 166 H ARG 451 HN ARG 451 -4.724 3.613 6.811 167 HA ARG 451 HA ARG 451 -6.101 4.889 9.029 168 HB2 ARG 451 HB2 ARG 451 -6.624 5.188 6.067 169 HB3 ARG 451 HB1 ARG 451 -7.294 6.188 7.347 170 HG2 ARG 451 HG2 ARG 451 -5.050 6.995 7.886 171 HG3 ARG 451 HG1 ARG 451 -4.386 5.996 6.592 172 HD2 ARG 451 HD2 ARG 451 -6.316 8.297 6.304 173 HD3 ARG 451 HD1 ARG 451 -4.632 8.255 5.789 174 HE ARG 451 HE ARG 451 -6.789 6.640 4.571 175 HH11 ARG 451 HH11 ARG 451 -3.723 8.361 4.353 176 HH12 ARG 451 HH12 ARG 451 -3.605 8.132 2.627 177 HH21 ARG 451 HH21 ARG 451 -6.582 6.332 2.315 178 HH22 ARG 451 HH22 ARG 451 -5.187 6.963 1.482 179 H THR 452 HN THR 452 -6.638 2.287 6.774 180 HA THR 452 HA THR 452 -9.263 1.861 8.014 181 HB THR 452 HB THR 452 -9.781 2.760 5.855 182 HG1 THR 452 HG1 THR 452 -10.176 0.050 6.297 183 HG21 THR 452 HG21 THR 452 -7.618 2.498 4.780 184 HG22 THR 452 HG22 THR 452 -8.893 1.819 3.768 185 HG23 THR 452 HG23 THR 452 -7.845 0.752 4.702 186 H LEU 453 HN LEU 453 -6.267 0.813 7.798 187 HA LEU 453 HA LEU 453 -5.156 -1.141 8.103 188 HB2 LEU 453 HB2 LEU 453 -7.871 -2.239 8.842 189 HB3 LEU 453 HB1 LEU 453 -6.318 -2.936 9.260 190 HG LEU 453 HG LEU 453 -7.405 -0.307 10.271 191 HD11 LEU 453 HD11 LEU 453 -8.528 -2.245 11.226 192 HD12 LEU 453 HD12 LEU 453 -7.510 -1.446 12.424 193 HD13 LEU 453 HD13 LEU 453 -6.967 -2.942 11.663 194 HD21 LEU 453 HD21 LEU 453 -4.985 -0.223 10.040 195 HD22 LEU 453 HD22 LEU 453 -4.835 -1.737 10.931 196 HD23 LEU 453 HD23 LEU 453 -5.448 -0.296 11.741 197 H GLU 454 HN GLU 454 -6.359 -0.502 5.506 198 HA GLU 454 HA GLU 454 -7.063 -3.158 4.502 199 HB2 GLU 454 HB2 GLU 454 -8.430 -0.755 4.264 200 HB3 GLU 454 HB1 GLU 454 -7.662 -0.964 2.697 201 HG2 GLU 454 HG2 GLU 454 -9.413 -3.008 4.045 202 HG3 GLU 454 HG1 GLU 454 -9.942 -1.886 2.793 203 H SER 455 HN SER 455 -5.985 -4.034 2.805 204 HA SER 455 HA SER 455 -3.596 -2.571 1.905 205 HB2 SER 455 HB2 SER 455 -3.164 -4.623 3.239 206 HB3 SER 455 HB1 SER 455 -4.050 -5.564 2.041 207 HG SER 455 HG SER 455 -2.070 -5.754 1.287 208 H ASP 456 HN ASP 456 -3.393 -2.124 -0.179 209 HA ASP 456 HA ASP 456 -5.090 -3.535 -2.140 210 HB2 ASP 456 HB2 ASP 456 -5.865 -1.167 -1.553 211 HB3 ASP 456 HB1 ASP 456 -4.377 -0.595 -2.297 212 H TRP 457 HN TRP 457 -4.049 -4.118 -4.020 213 HA TRP 457 HA TRP 457 -1.174 -4.076 -4.022 214 HB2 TRP 457 HB2 TRP 457 -2.767 -4.855 -6.438 215 HB3 TRP 457 HB1 TRP 457 -1.281 -5.557 -5.813 216 HD1 TRP 457 HD1 TRP 457 -5.060 -5.507 -5.117 217 HE1 TRP 457 HE1 TRP 457 -5.677 -7.695 -3.883 218 HE3 TRP 457 HE3 TRP 457 -0.365 -7.436 -4.477 219 HZ2 TRP 457 HZ2 TRP 457 -4.337 -9.939 -2.801 220 HZ3 TRP 457 HZ3 TRP 457 -0.115 -9.606 -3.345 221 HH2 TRP 457 HH2 TRP 457 -2.060 -10.830 -2.525 222 H GLU 458 HN GLU 458 -3.641 -2.068 -5.170 223 HA GLU 458 HA GLU 458 -2.147 -0.973 -7.394 224 HB2 GLU 458 HB2 GLU 458 -4.807 -0.243 -6.161 225 HB3 GLU 458 HB1 GLU 458 -4.129 0.529 -7.577 226 HG2 GLU 458 HG2 GLU 458 -4.969 -2.335 -7.307 227 HG3 GLU 458 HG1 GLU 458 -5.717 -1.085 -8.303 228 H LYS 459 HN LYS 459 -1.067 0.931 -7.414 229 HA LYS 459 HA LYS 459 -0.010 1.786 -4.927 230 HB2 LYS 459 HB2 LYS 459 1.132 1.786 -7.222 231 HB3 LYS 459 HB1 LYS 459 0.277 3.294 -7.520 232 HG2 LYS 459 HG2 LYS 459 1.336 4.273 -5.536 233 HG3 LYS 459 HG1 LYS 459 2.222 2.769 -5.282 234 HD2 LYS 459 HD2 LYS 459 3.140 3.094 -7.631 235 HD3 LYS 459 HD1 LYS 459 2.490 4.734 -7.544 236 HE2 LYS 459 HE2 LYS 459 3.794 5.047 -5.435 237 HE3 LYS 459 HE1 LYS 459 4.541 3.479 -5.726 238 HZ1 LYS 459 HZ1 LYS 459 4.849 5.987 -7.248 239 HZ2 LYS 459 HZ2 LYS 459 5.179 4.492 -7.976 240 HZ3 LYS 459 HZ3 LYS 459 6.048 4.970 -6.603 241 HA PRO 460 HA PRO 460 -3.142 4.845 -3.943 242 HB2 PRO 460 HB2 PRO 460 -1.901 5.742 -1.705 243 HB3 PRO 460 HB1 PRO 460 -2.816 4.230 -1.751 244 HG2 PRO 460 HG2 PRO 460 0.141 4.657 -1.966 245 HG3 PRO 460 HG1 PRO 460 -0.748 3.458 -1.008 246 HD2 PRO 460 HD2 PRO 460 0.386 2.831 -3.363 247 HD3 PRO 460 HD1 PRO 460 -1.145 2.102 -2.834 248 H GLN 461 HN GLN 461 -3.222 7.161 -3.812 249 HA GLN 461 HA GLN 461 -1.142 8.367 -5.424 250 HB2 GLN 461 HB2 GLN 461 -3.540 8.744 -5.914 251 HB3 GLN 461 HB1 GLN 461 -3.704 9.572 -4.372 252 HG2 GLN 461 HG2 GLN 461 -2.443 11.396 -5.077 253 HG3 GLN 461 HG1 GLN 461 -1.720 10.497 -6.411 254 HE21 GLN 461 HE21 GLN 461 -4.568 12.141 -5.266 255 HE22 GLN 461 HE22 GLN 461 -5.337 12.292 -6.816 256 H GLU 462 HN GLU 462 -1.851 8.062 -2.129 257 HA GLU 462 HA GLU 462 -0.440 10.462 -1.320 258 HB2 GLU 462 HB2 GLU 462 -0.994 8.136 0.501 259 HB3 GLU 462 HB1 GLU 462 -0.892 9.843 0.899 260 HG2 GLU 462 HG2 GLU 462 -3.133 9.546 1.051 261 HG3 GLU 462 HG1 GLU 462 -3.016 9.979 -0.654 262 H LEU 463 HN LEU 463 0.473 7.634 -2.649 263 HA LEU 463 HA LEU 463 3.185 7.828 -1.554 264 HB2 LEU 463 HB2 LEU 463 1.915 5.997 -0.401 265 HB3 LEU 463 HB1 LEU 463 1.699 5.228 -1.960 266 HG LEU 463 HG LEU 463 4.141 4.953 -2.161 267 HD11 LEU 463 HD11 LEU 463 4.187 6.100 0.625 268 HD12 LEU 463 HD12 LEU 463 4.861 6.843 -0.826 269 HD13 LEU 463 HD13 LEU 463 5.556 5.349 -0.195 270 HD21 LEU 463 HD21 LEU 463 2.941 3.848 0.376 271 HD22 LEU 463 HD22 LEU 463 4.377 3.223 -0.436 272 HD23 LEU 463 HD23 LEU 463 2.807 3.146 -1.236 273 H LYS 464 HN LYS 464 1.549 8.437 -4.067 274 HA LYS 464 HA LYS 464 2.452 6.629 -6.090 275 HB2 LYS 464 HB2 LYS 464 0.315 7.909 -6.205 276 HB3 LYS 464 HB1 LYS 464 1.249 9.386 -6.396 277 HG2 LYS 464 HG2 LYS 464 2.178 8.528 -8.486 278 HG3 LYS 464 HG1 LYS 464 1.239 7.047 -8.291 279 HD2 LYS 464 HD2 LYS 464 0.104 8.541 -9.823 280 HD3 LYS 464 HD1 LYS 464 -0.833 8.387 -8.336 281 HE2 LYS 464 HE2 LYS 464 0.105 10.509 -7.537 282 HE3 LYS 464 HE1 LYS 464 1.018 10.664 -9.036 283 HZ1 LYS 464 HZ1 LYS 464 -1.940 10.678 -8.752 284 HZ2 LYS 464 HZ2 LYS 464 -1.125 10.681 -10.237 285 HZ3 LYS 464 HZ3 LYS 464 -0.949 11.989 -9.169 Start of MODEL 5 1 H1 GLY 428 HT1 GLY 428 -5.223 19.186 1.744 2 H2 GLY 428 HT2 GLY 428 -3.859 18.611 0.914 3 H3 GLY 428 HT3 GLY 428 -3.668 19.546 2.316 4 HA2 GLY 428 HA1 GLY 428 -4.711 17.811 3.639 5 HA3 GLY 428 HA2 GLY 428 -4.861 16.835 2.182 6 H ALA 429 HN ALA 429 -3.530 15.171 2.855 7 HA ALA 429 HA ALA 429 -0.900 15.693 3.890 8 HB1 ALA 429 HB1 ALA 429 -0.608 13.271 3.799 9 HB2 ALA 429 HB2 ALA 429 -2.107 13.114 2.883 10 HB3 ALA 429 HB3 ALA 429 -2.149 13.692 4.548 11 H THR 430 HN THR 430 0.820 16.201 2.714 12 HA THR 430 HA THR 430 0.695 16.209 -0.146 13 HB THR 430 HB THR 430 3.072 17.057 0.044 14 HG1 THR 430 HG1 THR 430 3.916 16.475 1.928 15 HG21 THR 430 HG21 THR 430 1.170 18.589 -0.090 16 HG22 THR 430 HG22 THR 430 2.416 19.227 0.985 17 HG23 THR 430 HG23 THR 430 0.961 18.491 1.658 18 H ALA 431 HN ALA 431 2.030 14.139 2.290 19 HA ALA 431 HA ALA 431 2.550 12.137 0.251 20 HB1 ALA 431 HB1 ALA 431 4.726 13.239 0.489 21 HB2 ALA 431 HB2 ALA 431 4.775 11.588 1.109 22 HB3 ALA 431 HB3 ALA 431 4.684 12.947 2.228 23 H VAL 432 HN VAL 432 1.220 10.568 0.974 24 HA VAL 432 HA VAL 432 0.830 10.248 3.828 25 HB VAL 432 HB VAL 432 -0.379 8.601 1.602 26 HG11 VAL 432 HG11 VAL 432 -0.433 7.499 3.772 27 HG12 VAL 432 HG12 VAL 432 -2.053 8.015 3.304 28 HG13 VAL 432 HG13 VAL 432 -1.147 8.937 4.502 29 HG21 VAL 432 HG21 VAL 432 -2.375 10.005 1.903 30 HG22 VAL 432 HG22 VAL 432 -0.990 10.941 1.341 31 HG23 VAL 432 HG23 VAL 432 -1.479 11.020 3.034 32 H SER 433 HN SER 433 2.814 9.598 4.487 33 HA SER 433 HA SER 433 4.100 7.250 3.426 34 HB2 SER 433 HB2 SER 433 5.624 7.723 5.453 35 HB3 SER 433 HB1 SER 433 5.569 8.940 4.176 36 HG SER 433 HG SER 433 3.826 9.079 6.408 37 H GLU 434 HN GLU 434 1.376 7.239 4.830 38 HA GLU 434 HA GLU 434 1.926 5.803 7.295 39 HB2 GLU 434 HB2 GLU 434 -0.788 6.478 6.184 40 HB3 GLU 434 HB1 GLU 434 -0.346 6.168 7.857 41 HG2 GLU 434 HG2 GLU 434 0.264 8.600 6.201 42 HG3 GLU 434 HG1 GLU 434 -0.718 8.493 7.659 43 H TRP 435 HN TRP 435 1.982 4.814 4.274 44 HA TRP 435 HA TRP 435 0.362 2.409 4.706 45 HB2 TRP 435 HB2 TRP 435 1.783 3.309 2.190 46 HB3 TRP 435 HB1 TRP 435 0.794 1.862 2.367 47 HD1 TRP 435 HD1 TRP 435 0.158 5.678 2.968 48 HE1 TRP 435 HE1 TRP 435 -2.153 6.237 1.949 49 HE3 TRP 435 HE3 TRP 435 -1.099 1.035 1.277 50 HZ2 TRP 435 HZ2 TRP 435 -4.222 4.867 0.594 51 HZ3 TRP 435 HZ3 TRP 435 -3.257 0.736 0.118 52 HH2 TRP 435 HH2 TRP 435 -4.782 2.614 -0.213 53 H THR 436 HN THR 436 1.226 0.377 4.629 54 HA THR 436 HA THR 436 4.163 0.169 4.572 55 HB THR 436 HB THR 436 2.329 -1.583 6.220 56 HG1 THR 436 HG1 THR 436 3.841 0.697 7.034 57 HG21 THR 436 HG21 THR 436 4.509 -2.543 5.641 58 HG22 THR 436 HG22 THR 436 4.393 -2.206 7.369 59 HG23 THR 436 HG23 THR 436 5.311 -1.127 6.318 60 H GLU 437 HN GLU 437 4.722 -0.965 2.776 61 HA GLU 437 HA GLU 437 2.762 -2.764 1.620 62 HB2 GLU 437 HB2 GLU 437 4.592 -3.064 -0.179 63 HB3 GLU 437 HB1 GLU 437 3.689 -1.554 -0.111 64 HG2 GLU 437 HG2 GLU 437 5.457 -0.399 0.827 65 HG3 GLU 437 HG1 GLU 437 6.334 -1.870 1.253 66 H TYR 438 HN TYR 438 3.292 -4.843 0.939 67 HA TYR 438 HA TYR 438 5.111 -6.279 2.717 68 HB2 TYR 438 HB2 TYR 438 2.117 -6.741 2.517 69 HB3 TYR 438 HB1 TYR 438 3.239 -7.896 3.220 70 HD1 TYR 438 HD2 TYR 438 4.547 -7.200 5.277 71 HD2 TYR 438 HD1 TYR 438 1.218 -4.995 3.805 72 HE1 TYR 438 HE2 TYR 438 4.286 -6.135 7.478 73 HE2 TYR 438 HE1 TYR 438 0.944 -3.927 6.002 74 HH TYR 438 HH TYR 438 3.314 -4.135 8.465 75 H LYS 439 HN LYS 439 5.551 -8.439 1.772 76 HA LYS 439 HA LYS 439 4.686 -8.367 -1.034 77 HB2 LYS 439 HB2 LYS 439 7.168 -7.796 -0.410 78 HB3 LYS 439 HB1 LYS 439 7.319 -9.556 -0.357 79 HG2 LYS 439 HG2 LYS 439 7.798 -9.055 -2.581 80 HG3 LYS 439 HG1 LYS 439 6.080 -9.489 -2.592 81 HD2 LYS 439 HD2 LYS 439 6.294 -7.569 -3.900 82 HD3 LYS 439 HD1 LYS 439 5.442 -7.186 -2.446 83 HE2 LYS 439 HE2 LYS 439 8.424 -6.780 -2.513 84 HE3 LYS 439 HE1 LYS 439 7.395 -5.622 -3.349 85 HZ1 LYS 439 HZ1 LYS 439 7.222 -6.317 -0.458 86 HZ2 LYS 439 HZ2 LYS 439 6.237 -5.201 -1.269 87 HZ3 LYS 439 HZ3 LYS 439 7.895 -4.902 -1.104 88 H THR 440 HN THR 440 4.090 -10.162 -2.017 89 HA THR 440 HA THR 440 3.846 -12.597 -0.418 90 HB THR 440 HB THR 440 2.645 -13.511 -2.402 91 HG1 THR 440 HG1 THR 440 2.691 -12.466 -4.239 92 HG21 THR 440 HG21 THR 440 1.594 -10.835 -1.484 93 HG22 THR 440 HG22 THR 440 1.415 -12.353 -0.606 94 HG23 THR 440 HG23 THR 440 0.646 -12.150 -2.179 95 H ALA 441 HN ALA 441 4.726 -14.594 -1.050 96 HA ALA 441 HA ALA 441 7.379 -14.616 -1.771 97 HB1 ALA 441 HB1 ALA 441 7.174 -17.021 -2.000 98 HB2 ALA 441 HB2 ALA 441 5.420 -16.878 -2.102 99 HB3 ALA 441 HB3 ALA 441 6.254 -16.445 -0.609 100 H ASP 442 HN ASP 442 4.607 -14.665 -3.917 101 HA ASP 442 HA ASP 442 6.092 -15.677 -6.166 102 HB2 ASP 442 HB2 ASP 442 4.095 -15.605 -7.387 103 HB3 ASP 442 HB1 ASP 442 3.573 -15.963 -5.746 104 H GLY 443 HN GLY 443 6.182 -12.774 -4.663 105 HA2 GLY 443 HA2 GLY 443 7.564 -11.010 -5.364 106 HA3 GLY 443 HA1 GLY 443 7.401 -11.566 -7.022 107 H LYS 444 HN LYS 444 5.065 -10.569 -4.535 108 HA LYS 444 HA LYS 444 4.120 -8.418 -6.344 109 HB2 LYS 444 HB2 LYS 444 2.611 -10.174 -4.501 110 HB3 LYS 444 HB1 LYS 444 1.985 -8.695 -5.176 111 HG2 LYS 444 HG2 LYS 444 2.460 -9.805 -7.472 112 HG3 LYS 444 HG1 LYS 444 2.567 -11.303 -6.544 113 HD2 LYS 444 HD2 LYS 444 0.273 -10.452 -5.557 114 HD3 LYS 444 HD1 LYS 444 0.212 -9.560 -7.078 115 HE2 LYS 444 HE2 LYS 444 0.231 -12.515 -6.614 116 HE3 LYS 444 HE1 LYS 444 -0.884 -11.546 -7.574 117 HZ1 LYS 444 HZ1 LYS 444 1.909 -12.288 -8.237 118 HZ2 LYS 444 HZ2 LYS 444 1.031 -11.126 -9.109 119 HZ3 LYS 444 HZ3 LYS 444 0.495 -12.731 -9.062 120 H THR 445 HN THR 445 4.135 -6.450 -5.328 121 HA THR 445 HA THR 445 4.268 -6.602 -2.417 122 HB THR 445 HB THR 445 5.853 -5.069 -3.663 123 HG1 THR 445 HG1 THR 445 5.524 -3.319 -2.152 124 HG21 THR 445 HG21 THR 445 4.346 -4.212 -5.387 125 HG22 THR 445 HG22 THR 445 5.032 -2.890 -4.443 126 HG23 THR 445 HG23 THR 445 3.372 -3.411 -4.153 127 H TYR 446 HN TYR 446 2.646 -5.489 -1.145 128 HA TYR 446 HA TYR 446 0.485 -4.176 -2.573 129 HB2 TYR 446 HB2 TYR 446 -1.205 -5.344 -1.086 130 HB3 TYR 446 HB1 TYR 446 -0.502 -6.303 -2.376 131 HD1 TYR 446 HD2 TYR 446 1.666 -7.703 -1.612 132 HD2 TYR 446 HD1 TYR 446 -1.410 -6.303 0.987 133 HE1 TYR 446 HE2 TYR 446 2.223 -9.470 0.009 134 HE2 TYR 446 HE1 TYR 446 -0.853 -8.066 2.606 135 HH TYR 446 HH TYR 446 1.989 -9.931 2.388 136 H TYR 447 HN TYR 447 -0.204 -2.400 -1.623 137 HA TYR 447 HA TYR 447 1.288 -1.573 0.729 138 HB2 TYR 447 HB2 TYR 447 -0.387 0.003 -1.237 139 HB3 TYR 447 HB1 TYR 447 0.456 0.702 0.138 140 HD1 TYR 447 HD1 TYR 447 1.044 -1.185 -3.018 141 HD2 TYR 447 HD2 TYR 447 2.665 1.350 -0.010 142 HE1 TYR 447 HE1 TYR 447 3.095 -0.923 -4.353 143 HE2 TYR 447 HE2 TYR 447 4.715 1.621 -1.331 144 HH TYR 447 HH TYR 447 5.947 0.352 -3.065 145 H TYR 448 HN TYR 448 0.451 -1.587 2.648 146 HA TYR 448 HA TYR 448 -2.455 -1.777 2.949 147 HB2 TYR 448 HB2 TYR 448 -1.681 -3.581 4.100 148 HB3 TYR 448 HB1 TYR 448 -0.097 -2.868 4.355 149 HD1 TYR 448 HD2 TYR 448 0.249 -1.296 6.222 150 HD2 TYR 448 HD1 TYR 448 -3.367 -3.486 5.781 151 HE1 TYR 448 HE2 TYR 448 -0.272 -0.905 8.593 152 HE2 TYR 448 HE1 TYR 448 -3.905 -3.093 8.151 153 HH TYR 448 HH TYR 448 -2.123 -0.868 10.094 154 H ASN 449 HN ASN 449 -3.535 -0.081 3.671 155 HA ASN 449 HA ASN 449 -2.075 2.268 4.577 156 HB2 ASN 449 HB2 ASN 449 -3.715 2.658 2.880 157 HB3 ASN 449 HB1 ASN 449 -4.948 1.782 3.779 158 HD21 ASN 449 HD21 ASN 449 -3.106 4.740 3.569 159 HD22 ASN 449 HD22 ASN 449 -4.139 5.671 4.598 160 H ASN 450 HN ASN 450 -1.767 2.668 6.667 161 HA ASN 450 HA ASN 450 -2.992 1.085 8.702 162 HB2 ASN 450 HB2 ASN 450 -1.123 3.445 8.774 163 HB3 ASN 450 HB1 ASN 450 -1.785 2.751 10.250 164 HD21 ASN 450 HD21 ASN 450 0.442 2.349 7.639 165 HD22 ASN 450 HD22 ASN 450 1.234 0.938 8.261 166 H ARG 451 HN ARG 451 -4.184 3.698 7.060 167 HA ARG 451 HA ARG 451 -5.353 5.103 9.297 168 HB2 ARG 451 HB2 ARG 451 -4.635 6.400 7.387 169 HB3 ARG 451 HB1 ARG 451 -5.641 5.450 6.309 170 HG2 ARG 451 HG2 ARG 451 -7.637 6.321 7.544 171 HG3 ARG 451 HG1 ARG 451 -6.544 7.407 8.405 172 HD2 ARG 451 HD2 ARG 451 -7.538 8.567 6.526 173 HD3 ARG 451 HD1 ARG 451 -5.812 8.343 6.246 174 HE ARG 451 HE ARG 451 -7.863 6.609 5.021 175 HH11 ARG 451 HH11 ARG 451 -4.955 8.560 4.781 176 HH12 ARG 451 HH12 ARG 451 -4.628 8.083 3.130 177 HH21 ARG 451 HH21 ARG 451 -7.445 6.030 2.836 178 HH22 ARG 451 HH22 ARG 451 -6.049 6.683 2.022 179 H THR 452 HN THR 452 -6.263 2.557 7.128 180 HA THR 452 HA THR 452 -8.837 2.378 8.478 181 HB THR 452 HB THR 452 -9.297 3.781 6.532 182 HG1 THR 452 HG1 THR 452 -11.036 2.614 5.799 183 HG21 THR 452 HG21 THR 452 -7.496 3.054 5.071 184 HG22 THR 452 HG22 THR 452 -9.053 2.905 4.254 185 HG23 THR 452 HG23 THR 452 -8.253 1.470 4.898 186 H LEU 453 HN LEU 453 -6.121 0.908 7.782 187 HA LEU 453 HA LEU 453 -5.389 -1.242 7.711 188 HB2 LEU 453 HB2 LEU 453 -8.261 -1.926 8.373 189 HB3 LEU 453 HB1 LEU 453 -6.884 -2.996 8.540 190 HG LEU 453 HG LEU 453 -7.346 -0.467 10.123 191 HD11 LEU 453 HD11 LEU 453 -8.866 -2.254 10.755 192 HD12 LEU 453 HD12 LEU 453 -7.653 -1.992 12.010 193 HD13 LEU 453 HD13 LEU 453 -7.507 -3.367 10.917 194 HD21 LEU 453 HD21 LEU 453 -4.970 -0.899 9.741 195 HD22 LEU 453 HD22 LEU 453 -5.172 -2.543 10.347 196 HD23 LEU 453 HD23 LEU 453 -5.408 -1.169 11.427 197 H GLU 454 HN GLU 454 -6.404 0.046 5.302 198 HA GLU 454 HA GLU 454 -7.702 -2.122 3.835 199 HB2 GLU 454 HB2 GLU 454 -8.661 0.140 3.650 200 HB3 GLU 454 HB1 GLU 454 -7.138 0.729 3.002 201 HG2 GLU 454 HG2 GLU 454 -8.744 0.399 1.232 202 HG3 GLU 454 HG1 GLU 454 -7.398 -0.727 1.060 203 H SER 455 HN SER 455 -6.497 -3.497 2.699 204 HA SER 455 HA SER 455 -3.777 -2.671 1.937 205 HB2 SER 455 HB2 SER 455 -3.907 -4.576 3.495 206 HB3 SER 455 HB1 SER 455 -4.925 -5.444 2.348 207 HG SER 455 HG SER 455 -3.161 -6.120 1.480 208 H ASP 456 HN ASP 456 -3.304 -2.464 -0.181 209 HA ASP 456 HA ASP 456 -4.789 -4.030 -2.140 210 HB2 ASP 456 HB2 ASP 456 -5.978 -1.801 -1.783 211 HB3 ASP 456 HB1 ASP 456 -4.561 -1.049 -2.515 212 H TRP 457 HN TRP 457 -3.691 -4.393 -4.043 213 HA TRP 457 HA TRP 457 -0.851 -4.309 -3.810 214 HB2 TRP 457 HB2 TRP 457 -2.213 -4.983 -6.389 215 HB3 TRP 457 HB1 TRP 457 -0.785 -5.708 -5.665 216 HD1 TRP 457 HD1 TRP 457 -4.612 -5.735 -5.368 217 HE1 TRP 457 HE1 TRP 457 -5.322 -7.959 -4.271 218 HE3 TRP 457 HE3 TRP 457 0.010 -7.599 -4.249 219 HZ2 TRP 457 HZ2 TRP 457 -4.079 -10.205 -3.096 220 HZ3 TRP 457 HZ3 TRP 457 0.164 -9.790 -3.144 221 HH2 TRP 457 HH2 TRP 457 -1.836 -11.066 -2.580 222 H GLU 458 HN GLU 458 -3.225 -2.384 -5.471 223 HA GLU 458 HA GLU 458 -1.396 -1.372 -7.436 224 HB2 GLU 458 HB2 GLU 458 -4.157 -0.414 -6.661 225 HB3 GLU 458 HB1 GLU 458 -3.255 0.101 -8.074 226 HG2 GLU 458 HG2 GLU 458 -4.298 -2.660 -7.520 227 HG3 GLU 458 HG1 GLU 458 -4.905 -1.516 -8.716 228 H LYS 459 HN LYS 459 -0.082 0.283 -7.265 229 HA LYS 459 HA LYS 459 0.608 1.474 -4.886 230 HB2 LYS 459 HB2 LYS 459 1.977 1.431 -6.975 231 HB3 LYS 459 HB1 LYS 459 0.962 2.715 -7.617 232 HG2 LYS 459 HG2 LYS 459 1.691 4.222 -5.890 233 HG3 LYS 459 HG1 LYS 459 2.602 2.933 -5.100 234 HD2 LYS 459 HD2 LYS 459 3.927 2.718 -7.228 235 HD3 LYS 459 HD1 LYS 459 3.133 4.192 -7.784 236 HE2 LYS 459 HE2 LYS 459 4.064 5.446 -5.959 237 HE3 LYS 459 HE1 LYS 459 4.727 3.979 -5.235 238 HZ1 LYS 459 HZ1 LYS 459 5.576 5.307 -7.748 239 HZ2 LYS 459 HZ2 LYS 459 6.044 3.733 -7.338 240 HZ3 LYS 459 HZ3 LYS 459 6.497 5.031 -6.347 241 HA PRO 460 HA PRO 460 -2.911 4.033 -4.132 242 HB2 PRO 460 HB2 PRO 460 -1.813 5.371 -2.002 243 HB3 PRO 460 HB1 PRO 460 -2.536 3.762 -1.898 244 HG2 PRO 460 HG2 PRO 460 0.346 4.535 -2.129 245 HG3 PRO 460 HG1 PRO 460 -0.402 3.285 -1.114 246 HD2 PRO 460 HD2 PRO 460 0.864 2.669 -3.394 247 HD3 PRO 460 HD1 PRO 460 -0.590 1.792 -2.871 248 H GLN 461 HN GLN 461 -3.578 6.015 -4.659 249 HA GLN 461 HA GLN 461 -1.924 7.812 -6.091 250 HB2 GLN 461 HB2 GLN 461 -4.404 7.571 -6.339 251 HB3 GLN 461 HB1 GLN 461 -4.597 8.357 -4.782 252 HG2 GLN 461 HG2 GLN 461 -3.432 10.353 -5.743 253 HG3 GLN 461 HG1 GLN 461 -3.509 9.555 -7.315 254 HE21 GLN 461 HE21 GLN 461 -4.847 11.139 -8.202 255 HE22 GLN 461 HE22 GLN 461 -6.512 11.281 -7.753 256 H GLU 462 HN GLU 462 -2.384 7.270 -2.803 257 HA GLU 462 HA GLU 462 -1.810 9.915 -1.829 258 HB2 GLU 462 HB2 GLU 462 -1.867 7.231 -0.438 259 HB3 GLU 462 HB1 GLU 462 -1.723 8.785 0.371 260 HG2 GLU 462 HG2 GLU 462 -3.922 9.422 -0.331 261 HG3 GLU 462 HG1 GLU 462 -4.059 7.981 -1.341 262 H LEU 463 HN LEU 463 0.050 7.501 -3.195 263 HA LEU 463 HA LEU 463 2.507 8.529 -1.981 264 HB2 LEU 463 HB2 LEU 463 1.685 6.517 -0.703 265 HB3 LEU 463 HB1 LEU 463 1.903 5.577 -2.164 266 HG LEU 463 HG LEU 463 4.325 6.111 -2.111 267 HD11 LEU 463 HD11 LEU 463 4.201 8.214 -0.882 268 HD12 LEU 463 HD12 LEU 463 5.293 7.075 -0.094 269 HD13 LEU 463 HD13 LEU 463 3.679 7.345 0.561 270 HD21 LEU 463 HD21 LEU 463 4.864 4.641 -0.229 271 HD22 LEU 463 HD22 LEU 463 3.494 4.032 -1.158 272 HD23 LEU 463 HD23 LEU 463 3.223 4.835 0.389 273 H LYS 464 HN LYS 464 1.095 8.582 -4.620 274 HA LYS 464 HA LYS 464 2.219 6.886 -6.518 275 HB2 LYS 464 HB2 LYS 464 0.298 8.452 -6.894 276 HB3 LYS 464 HB1 LYS 464 1.452 9.778 -6.952 277 HG2 LYS 464 HG2 LYS 464 2.563 8.235 -8.801 278 HG3 LYS 464 HG1 LYS 464 0.907 7.645 -8.938 279 HD2 LYS 464 HD2 LYS 464 0.849 9.369 -10.446 280 HD3 LYS 464 HD1 LYS 464 0.348 10.221 -8.983 281 HE2 LYS 464 HE2 LYS 464 3.160 10.114 -10.076 282 HE3 LYS 464 HE1 LYS 464 2.046 11.463 -10.273 283 HZ1 LYS 464 HZ1 LYS 464 3.608 11.870 -8.484 284 HZ2 LYS 464 HZ2 LYS 464 3.119 10.457 -7.683 285 HZ3 LYS 464 HZ3 LYS 464 2.034 11.749 -7.866 Start of MODEL 6 1 H1 GLY 428 HT1 GLY 428 -1.773 8.798 9.176 2 H2 GLY 428 HT2 GLY 428 -2.759 10.140 9.516 3 H3 GLY 428 HT3 GLY 428 -1.202 10.046 10.171 4 HA2 GLY 428 HA1 GLY 428 -0.164 10.418 8.128 5 HA3 GLY 428 HA2 GLY 428 -1.649 10.078 7.252 6 H ALA 429 HN ALA 429 -0.071 12.407 9.404 7 HA ALA 429 HA ALA 429 -1.989 14.421 8.466 8 HB1 ALA 429 HB1 ALA 429 -1.580 15.651 10.520 9 HB2 ALA 429 HB2 ALA 429 -0.412 14.430 11.024 10 HB3 ALA 429 HB3 ALA 429 -2.120 14.011 10.876 11 H THR 430 HN THR 430 1.309 13.921 9.408 12 HA THR 430 HA THR 430 2.114 16.276 7.834 13 HB THR 430 HB THR 430 3.757 14.926 9.984 14 HG1 THR 430 HG1 THR 430 2.826 16.295 11.460 15 HG21 THR 430 HG21 THR 430 4.976 16.430 8.471 16 HG22 THR 430 HG22 THR 430 4.882 17.098 10.101 17 HG23 THR 430 HG23 THR 430 3.828 17.720 8.831 18 H ALA 431 HN ALA 431 1.773 13.151 7.385 19 HA ALA 431 HA ALA 431 3.927 12.979 5.470 20 HB1 ALA 431 HB1 ALA 431 5.015 12.139 7.484 21 HB2 ALA 431 HB2 ALA 431 4.780 10.842 6.313 22 HB3 ALA 431 HB3 ALA 431 3.713 10.970 7.711 23 H VAL 432 HN VAL 432 3.597 11.345 3.911 24 HA VAL 432 HA VAL 432 0.827 10.367 3.800 25 HB VAL 432 HB VAL 432 1.202 10.027 1.399 26 HG11 VAL 432 HG11 VAL 432 1.955 12.788 2.350 27 HG12 VAL 432 HG12 VAL 432 0.320 12.165 2.129 28 HG13 VAL 432 HG13 VAL 432 1.378 12.386 0.734 29 HG21 VAL 432 HG21 VAL 432 3.936 11.207 1.896 30 HG22 VAL 432 HG22 VAL 432 3.241 10.837 0.317 31 HG23 VAL 432 HG23 VAL 432 3.593 9.533 1.451 32 H SER 433 HN SER 433 3.588 9.337 4.949 33 HA SER 433 HA SER 433 3.912 6.745 3.790 34 HB2 SER 433 HB2 SER 433 5.339 6.469 5.936 35 HB3 SER 433 HB1 SER 433 5.848 7.672 4.750 36 HG SER 433 HG SER 433 5.809 8.428 6.974 37 H GLU 434 HN GLU 434 1.223 7.207 4.575 38 HA GLU 434 HA GLU 434 0.664 5.965 7.096 39 HB2 GLU 434 HB2 GLU 434 -0.793 7.669 5.928 40 HB3 GLU 434 HB1 GLU 434 -1.228 6.412 4.779 41 HG2 GLU 434 HG2 GLU 434 -2.963 6.579 6.399 42 HG3 GLU 434 HG1 GLU 434 -2.099 5.065 6.671 43 H TRP 435 HN TRP 435 1.753 4.749 4.241 44 HA TRP 435 HA TRP 435 0.311 2.208 4.568 45 HB2 TRP 435 HB2 TRP 435 1.719 3.193 2.084 46 HB3 TRP 435 HB1 TRP 435 0.782 1.714 2.266 47 HD1 TRP 435 HD1 TRP 435 0.052 5.544 2.609 48 HE1 TRP 435 HE1 TRP 435 -2.265 5.983 1.546 49 HE3 TRP 435 HE3 TRP 435 -1.144 0.756 1.337 50 HZ2 TRP 435 HZ2 TRP 435 -4.315 4.470 0.326 51 HZ3 TRP 435 HZ3 TRP 435 -3.297 0.328 0.213 52 HH2 TRP 435 HH2 TRP 435 -4.848 2.149 -0.278 53 H THR 436 HN THR 436 1.433 0.321 4.557 54 HA THR 436 HA THR 436 4.349 0.423 4.232 55 HB THR 436 HB THR 436 2.925 -1.308 6.270 56 HG1 THR 436 HG1 THR 436 3.845 1.298 6.391 57 HG21 THR 436 HG21 THR 436 5.027 -2.251 5.467 58 HG22 THR 436 HG22 THR 436 5.206 -1.691 7.129 59 HG23 THR 436 HG23 THR 436 5.856 -0.730 5.801 60 H GLU 437 HN GLU 437 4.942 -0.920 2.611 61 HA GLU 437 HA GLU 437 2.940 -2.762 1.590 62 HB2 GLU 437 HB2 GLU 437 4.759 -3.078 -0.254 63 HB3 GLU 437 HB1 GLU 437 3.759 -1.628 -0.217 64 HG2 GLU 437 HG2 GLU 437 5.460 -0.332 0.654 65 HG3 GLU 437 HG1 GLU 437 6.443 -1.729 1.102 66 H TYR 438 HN TYR 438 3.465 -4.855 0.919 67 HA TYR 438 HA TYR 438 5.376 -6.240 2.642 68 HB2 TYR 438 HB2 TYR 438 2.383 -6.749 2.604 69 HB3 TYR 438 HB1 TYR 438 3.560 -7.859 3.291 70 HD1 TYR 438 HD1 TYR 438 5.201 -6.659 5.061 71 HD2 TYR 438 HD2 TYR 438 1.273 -5.378 4.067 72 HE1 TYR 438 HE1 TYR 438 5.034 -5.516 7.230 73 HE2 TYR 438 HE2 TYR 438 1.096 -4.223 6.229 74 HH TYR 438 HH TYR 438 2.149 -4.473 8.523 75 H LYS 439 HN LYS 439 5.778 -8.442 1.735 76 HA LYS 439 HA LYS 439 4.841 -8.399 -1.052 77 HB2 LYS 439 HB2 LYS 439 7.343 -7.842 -0.476 78 HB3 LYS 439 HB1 LYS 439 7.478 -9.604 -0.418 79 HG2 LYS 439 HG2 LYS 439 7.919 -9.109 -2.656 80 HG3 LYS 439 HG1 LYS 439 6.198 -9.535 -2.630 81 HD2 LYS 439 HD2 LYS 439 6.406 -7.602 -3.939 82 HD3 LYS 439 HD1 LYS 439 5.564 -7.249 -2.475 83 HE2 LYS 439 HE2 LYS 439 8.541 -6.805 -2.578 84 HE3 LYS 439 HE1 LYS 439 7.472 -5.638 -3.349 85 HZ1 LYS 439 HZ1 LYS 439 8.060 -5.065 -1.036 86 HZ2 LYS 439 HZ2 LYS 439 7.262 -6.463 -0.508 87 HZ3 LYS 439 HZ3 LYS 439 6.389 -5.233 -1.274 88 H THR 440 HN THR 440 4.205 -10.195 -1.995 89 HA THR 440 HA THR 440 4.021 -12.626 -0.389 90 HB THR 440 HB THR 440 2.726 -13.523 -2.328 91 HG1 THR 440 HG1 THR 440 2.827 -12.478 -4.152 92 HG21 THR 440 HG21 THR 440 1.759 -10.877 -1.236 93 HG22 THR 440 HG22 THR 440 1.552 -12.454 -0.474 94 HG23 THR 440 HG23 THR 440 0.748 -12.100 -2.004 95 H ALA 441 HN ALA 441 4.823 -14.645 -1.117 96 HA ALA 441 HA ALA 441 7.496 -14.631 -1.794 97 HB1 ALA 441 HB1 ALA 441 5.579 -16.928 -2.122 98 HB2 ALA 441 HB2 ALA 441 6.350 -16.449 -0.610 99 HB3 ALA 441 HB3 ALA 441 7.331 -17.036 -1.954 100 H ASP 442 HN ASP 442 4.739 -14.755 -3.950 101 HA ASP 442 HA ASP 442 6.225 -15.779 -6.186 102 HB2 ASP 442 HB2 ASP 442 4.221 -15.570 -7.445 103 HB3 ASP 442 HB1 ASP 442 3.736 -16.082 -5.832 104 H GLY 443 HN GLY 443 6.320 -12.829 -4.732 105 HA2 GLY 443 HA2 GLY 443 7.616 -11.021 -5.491 106 HA3 GLY 443 HA1 GLY 443 7.460 -11.627 -7.134 107 H LYS 444 HN LYS 444 5.395 -10.399 -4.538 108 HA LYS 444 HA LYS 444 4.190 -8.442 -6.391 109 HB2 LYS 444 HB2 LYS 444 2.819 -10.320 -4.554 110 HB3 LYS 444 HB1 LYS 444 2.095 -8.837 -5.110 111 HG2 LYS 444 HG2 LYS 444 2.196 -9.654 -7.434 112 HG3 LYS 444 HG1 LYS 444 2.922 -11.159 -6.857 113 HD2 LYS 444 HD2 LYS 444 0.927 -11.608 -5.515 114 HD3 LYS 444 HD1 LYS 444 0.200 -10.110 -6.091 115 HE2 LYS 444 HE2 LYS 444 0.233 -10.964 -8.373 116 HE3 LYS 444 HE1 LYS 444 0.993 -12.453 -7.811 117 HZ1 LYS 444 HZ1 LYS 444 -0.968 -12.905 -6.468 118 HZ2 LYS 444 HZ2 LYS 444 -1.390 -12.732 -8.101 119 HZ3 LYS 444 HZ3 LYS 444 -1.697 -11.474 -7.011 120 H THR 445 HN THR 445 4.316 -6.475 -5.350 121 HA THR 445 HA THR 445 4.380 -6.647 -2.440 122 HB THR 445 HB THR 445 5.943 -5.084 -3.739 123 HG1 THR 445 HG1 THR 445 5.628 -3.356 -2.166 124 HG21 THR 445 HG21 THR 445 3.433 -3.437 -4.067 125 HG22 THR 445 HG22 THR 445 4.382 -4.165 -5.363 126 HG23 THR 445 HG23 THR 445 5.074 -2.873 -4.383 127 H TYR 446 HN TYR 446 2.749 -5.561 -1.174 128 HA TYR 446 HA TYR 446 0.571 -4.265 -2.601 129 HB2 TYR 446 HB2 TYR 446 -1.129 -5.473 -1.226 130 HB3 TYR 446 HB1 TYR 446 -0.311 -6.472 -2.415 131 HD1 TYR 446 HD2 TYR 446 1.844 -7.763 -1.437 132 HD2 TYR 446 HD1 TYR 446 -1.450 -6.322 0.863 133 HE1 TYR 446 HE2 TYR 446 2.315 -9.437 0.315 134 HE2 TYR 446 HE1 TYR 446 -0.971 -7.978 2.610 135 HH TYR 446 HH TYR 446 1.921 -9.828 2.659 136 H TYR 447 HN TYR 447 -0.257 -2.565 -1.565 137 HA TYR 447 HA TYR 447 1.373 -1.694 0.675 138 HB2 TYR 447 HB2 TYR 447 -0.466 -0.216 -1.216 139 HB3 TYR 447 HB1 TYR 447 0.376 0.551 0.127 140 HD1 TYR 447 HD2 TYR 447 0.913 -1.241 -3.079 141 HD2 TYR 447 HD1 TYR 447 2.618 1.174 -0.020 142 HE1 TYR 447 HE2 TYR 447 2.927 -0.925 -4.459 143 HE2 TYR 447 HE1 TYR 447 4.631 1.493 -1.385 144 HH TYR 447 HH TYR 447 5.816 0.289 -3.195 145 H TYR 448 HN TYR 448 0.703 -1.730 2.652 146 HA TYR 448 HA TYR 448 -2.120 -2.125 3.265 147 HB2 TYR 448 HB2 TYR 448 -0.856 -3.708 4.391 148 HB3 TYR 448 HB1 TYR 448 0.479 -2.602 4.666 149 HD1 TYR 448 HD1 TYR 448 0.369 -0.960 6.491 150 HD2 TYR 448 HD2 TYR 448 -2.641 -3.922 5.972 151 HE1 TYR 448 HE1 TYR 448 -0.363 -0.625 8.820 152 HE2 TYR 448 HE2 TYR 448 -3.395 -3.577 8.287 153 HH TYR 448 HH TYR 448 -2.213 -0.961 10.233 154 H ASN 449 HN ASN 449 -3.338 -0.479 3.873 155 HA ASN 449 HA ASN 449 -2.071 2.061 4.592 156 HB2 ASN 449 HB2 ASN 449 -3.603 2.229 2.768 157 HB3 ASN 449 HB1 ASN 449 -4.835 1.314 3.631 158 HD21 ASN 449 HD21 ASN 449 -3.200 4.375 3.354 159 HD22 ASN 449 HD22 ASN 449 -4.372 5.292 4.233 160 H ASN 450 HN ASN 450 -1.985 2.689 6.646 161 HA ASN 450 HA ASN 450 -3.363 1.234 8.711 162 HB2 ASN 450 HB2 ASN 450 -1.593 3.682 8.805 163 HB3 ASN 450 HB1 ASN 450 -2.300 2.949 10.237 164 HD21 ASN 450 HD21 ASN 450 0.072 2.644 7.734 165 HD22 ASN 450 HD22 ASN 450 0.932 1.315 8.437 166 H ARG 451 HN ARG 451 -4.242 3.797 6.747 167 HA ARG 451 HA ARG 451 -5.647 5.416 8.622 168 HB2 ARG 451 HB2 ARG 451 -4.820 6.352 6.539 169 HB3 ARG 451 HB1 ARG 451 -5.811 5.244 5.608 170 HG2 ARG 451 HG2 ARG 451 -7.825 6.340 6.428 171 HG3 ARG 451 HG1 ARG 451 -6.837 7.445 7.389 172 HD2 ARG 451 HD2 ARG 451 -7.526 8.509 5.310 173 HD3 ARG 451 HD1 ARG 451 -5.781 8.273 5.330 174 HE ARG 451 HE ARG 451 -7.621 6.480 3.868 175 HH11 ARG 451 HH11 ARG 451 -4.707 8.423 3.999 176 HH12 ARG 451 HH12 ARG 451 -4.158 7.934 2.420 177 HH21 ARG 451 HH21 ARG 451 -6.877 5.842 1.785 178 HH22 ARG 451 HH22 ARG 451 -5.381 6.484 1.177 179 H THR 452 HN THR 452 -6.476 2.579 6.755 180 HA THR 452 HA THR 452 -9.011 2.473 8.197 181 HB THR 452 HB THR 452 -9.609 3.539 6.085 182 HG1 THR 452 HG1 THR 452 -10.415 0.806 6.234 183 HG21 THR 452 HG21 THR 452 -8.419 1.102 4.756 184 HG22 THR 452 HG22 THR 452 -7.761 2.736 4.701 185 HG23 THR 452 HG23 THR 452 -9.315 2.385 3.943 186 H LEU 453 HN LEU 453 -6.249 1.102 7.731 187 HA LEU 453 HA LEU 453 -5.356 -0.961 7.961 188 HB2 LEU 453 HB2 LEU 453 -8.169 -1.746 8.720 189 HB3 LEU 453 HB1 LEU 453 -6.737 -2.722 8.985 190 HG LEU 453 HG LEU 453 -7.399 -0.087 10.298 191 HD11 LEU 453 HD11 LEU 453 -7.073 -2.869 11.409 192 HD12 LEU 453 HD12 LEU 453 -8.599 -2.011 11.189 193 HD13 LEU 453 HD13 LEU 453 -7.408 -1.412 12.343 194 HD21 LEU 453 HD21 LEU 453 -5.007 -0.205 9.815 195 HD22 LEU 453 HD22 LEU 453 -4.923 -1.787 10.587 196 HD23 LEU 453 HD23 LEU 453 -5.317 -0.357 11.544 197 H GLU 454 HN GLU 454 -6.536 -0.127 5.374 198 HA GLU 454 HA GLU 454 -7.378 -2.708 4.279 199 HB2 GLU 454 HB2 GLU 454 -7.779 0.112 3.344 200 HB3 GLU 454 HB1 GLU 454 -7.946 -1.237 2.226 201 HG2 GLU 454 HG2 GLU 454 -9.524 -0.791 4.749 202 HG3 GLU 454 HG1 GLU 454 -10.102 -0.611 3.092 203 H SER 455 HN SER 455 -6.176 -3.806 2.856 204 HA SER 455 HA SER 455 -3.659 -2.551 1.954 205 HB2 SER 455 HB2 SER 455 -4.094 -5.501 2.437 206 HB3 SER 455 HB1 SER 455 -2.561 -4.654 2.220 207 HG SER 455 HG SER 455 -4.192 -3.809 4.309 208 H ASP 456 HN ASP 456 -3.473 -2.367 -0.198 209 HA ASP 456 HA ASP 456 -4.623 -4.439 -1.893 210 HB2 ASP 456 HB2 ASP 456 -5.678 -2.866 -3.413 211 HB3 ASP 456 HB1 ASP 456 -6.349 -2.685 -1.801 212 H TRP 457 HN TRP 457 -3.708 -4.546 -3.983 213 HA TRP 457 HA TRP 457 -0.882 -4.238 -3.851 214 HB2 TRP 457 HB2 TRP 457 -2.229 -4.906 -6.427 215 HB3 TRP 457 HB1 TRP 457 -0.803 -5.623 -5.693 216 HD1 TRP 457 HD1 TRP 457 -4.634 -5.744 -5.500 217 HE1 TRP 457 HE1 TRP 457 -5.336 -7.999 -4.472 218 HE3 TRP 457 HE3 TRP 457 -0.008 -7.550 -4.273 219 HZ2 TRP 457 HZ2 TRP 457 -4.088 -10.246 -3.300 220 HZ3 TRP 457 HZ3 TRP 457 0.150 -9.762 -3.208 221 HH2 TRP 457 HH2 TRP 457 -1.850 -11.080 -2.731 222 H GLU 458 HN GLU 458 -3.198 -2.016 -4.694 223 HA GLU 458 HA GLU 458 -1.889 -1.003 -7.082 224 HB2 GLU 458 HB2 GLU 458 -4.356 -0.043 -5.618 225 HB3 GLU 458 HB1 GLU 458 -3.789 0.557 -7.169 226 HG2 GLU 458 HG2 GLU 458 -4.764 -2.218 -6.565 227 HG3 GLU 458 HG1 GLU 458 -5.592 -0.984 -7.514 228 H LYS 459 HN LYS 459 -0.693 0.816 -7.202 229 HA LYS 459 HA LYS 459 0.504 1.851 -4.883 230 HB2 LYS 459 HB2 LYS 459 0.445 2.871 -7.715 231 HB3 LYS 459 HB1 LYS 459 1.331 3.690 -6.435 232 HG2 LYS 459 HG2 LYS 459 2.494 1.461 -6.034 233 HG3 LYS 459 HG1 LYS 459 1.814 0.964 -7.583 234 HD2 LYS 459 HD2 LYS 459 4.081 1.805 -7.875 235 HD3 LYS 459 HD1 LYS 459 2.921 2.872 -8.669 236 HE2 LYS 459 HE2 LYS 459 3.043 4.447 -6.857 237 HE3 LYS 459 HE1 LYS 459 4.039 3.346 -5.908 238 HZ1 LYS 459 HZ1 LYS 459 5.802 3.572 -7.525 239 HZ2 LYS 459 HZ2 LYS 459 5.347 5.103 -6.952 240 HZ3 LYS 459 HZ3 LYS 459 4.843 4.589 -8.487 241 HA PRO 460 HA PRO 460 -2.773 4.445 -3.298 242 HB2 PRO 460 HB2 PRO 460 -0.394 5.666 -1.998 243 HB3 PRO 460 HB1 PRO 460 -1.911 5.120 -1.281 244 HG2 PRO 460 HG2 PRO 460 0.349 3.706 -1.039 245 HG3 PRO 460 HG1 PRO 460 -1.234 2.926 -1.183 246 HD2 PRO 460 HD2 PRO 460 0.955 3.143 -3.160 247 HD3 PRO 460 HD1 PRO 460 -0.297 1.899 -2.978 248 H GLN 461 HN GLN 461 -3.546 6.433 -3.815 249 HA GLN 461 HA GLN 461 -2.313 7.985 -5.822 250 HB2 GLN 461 HB2 GLN 461 -4.751 7.935 -5.439 251 HB3 GLN 461 HB1 GLN 461 -4.528 8.754 -3.904 252 HG2 GLN 461 HG2 GLN 461 -3.560 10.038 -6.414 253 HG3 GLN 461 HG1 GLN 461 -5.274 10.076 -6.015 254 HE21 GLN 461 HE21 GLN 461 -3.365 12.261 -6.216 255 HE22 GLN 461 HE22 GLN 461 -3.381 13.057 -4.680 256 H GLU 462 HN GLU 462 -2.180 8.061 -2.337 257 HA GLU 462 HA GLU 462 -0.930 10.643 -2.167 258 HB2 GLU 462 HB2 GLU 462 -0.710 8.532 -0.037 259 HB3 GLU 462 HB1 GLU 462 -0.755 10.277 0.149 260 HG2 GLU 462 HG2 GLU 462 -2.848 9.808 0.850 261 HG3 GLU 462 HG1 GLU 462 -3.181 9.928 -0.878 262 H LEU 463 HN LEU 463 0.162 7.688 -3.240 263 HA LEU 463 HA LEU 463 2.953 8.286 -2.493 264 HB2 LEU 463 HB2 LEU 463 1.821 6.375 -1.228 265 HB3 LEU 463 HB1 LEU 463 1.803 5.513 -2.753 266 HG LEU 463 HG LEU 463 4.280 5.665 -2.830 267 HD11 LEU 463 HD11 LEU 463 3.951 6.791 -0.054 268 HD12 LEU 463 HD12 LEU 463 4.588 7.644 -1.460 269 HD13 LEU 463 HD13 LEU 463 5.476 6.281 -0.777 270 HD21 LEU 463 HD21 LEU 463 3.174 3.674 -1.971 271 HD22 LEU 463 HD22 LEU 463 3.126 4.384 -0.359 272 HD23 LEU 463 HD23 LEU 463 4.677 3.986 -1.100 273 H LYS 464 HN LYS 464 1.138 8.622 -4.948 274 HA LYS 464 HA LYS 464 2.306 6.807 -6.891 275 HB2 LYS 464 HB2 LYS 464 -0.117 7.470 -6.908 276 HB3 LYS 464 HB1 LYS 464 0.389 9.094 -7.354 277 HG2 LYS 464 HG2 LYS 464 1.581 7.939 -9.327 278 HG3 LYS 464 HG1 LYS 464 0.537 6.567 -8.948 279 HD2 LYS 464 HD2 LYS 464 -0.809 7.640 -10.440 280 HD3 LYS 464 HD1 LYS 464 -1.316 8.466 -8.966 281 HE2 LYS 464 HE2 LYS 464 0.679 9.453 -11.002 282 HE3 LYS 464 HE1 LYS 464 -0.938 10.085 -10.711 283 HZ1 LYS 464 HZ1 LYS 464 -0.193 10.710 -8.457 284 HZ2 LYS 464 HZ2 LYS 464 0.657 11.509 -9.680 285 HZ3 LYS 464 HZ3 LYS 464 1.380 10.214 -8.853 Start of MODEL 7 1 H1 GLY 428 HT1 GLY 428 -4.646 10.243 7.957 2 H2 GLY 428 HT2 GLY 428 -4.765 9.589 9.514 3 H3 GLY 428 HT3 GLY 428 -3.333 9.401 8.626 4 HA2 GLY 428 HA1 GLY 428 -2.982 11.804 8.678 5 HA3 GLY 428 HA2 GLY 428 -4.451 11.967 9.626 6 H ALA 429 HN ALA 429 -2.255 9.291 10.072 7 HA ALA 429 HA ALA 429 -1.433 10.471 12.638 8 HB1 ALA 429 HB1 ALA 429 -1.178 8.180 13.480 9 HB2 ALA 429 HB2 ALA 429 -1.739 7.557 11.927 10 HB3 ALA 429 HB3 ALA 429 -2.829 8.496 12.948 11 H THR 430 HN THR 430 -0.488 8.823 9.757 12 HA THR 430 HA THR 430 2.348 9.155 10.495 13 HB THR 430 HB THR 430 1.322 7.180 8.456 14 HG1 THR 430 HG1 THR 430 1.481 6.985 11.273 15 HG21 THR 430 HG21 THR 430 3.852 7.282 10.111 16 HG22 THR 430 HG22 THR 430 3.722 7.697 8.400 17 HG23 THR 430 HG23 THR 430 3.438 6.039 8.928 18 H ALA 431 HN ALA 431 -0.109 10.274 8.519 19 HA ALA 431 HA ALA 431 -0.216 11.680 6.734 20 HB1 ALA 431 HB1 ALA 431 1.536 13.266 6.451 21 HB2 ALA 431 HB2 ALA 431 2.731 12.171 7.146 22 HB3 ALA 431 HB3 ALA 431 1.484 12.879 8.169 23 H VAL 432 HN VAL 432 2.056 12.126 4.776 24 HA VAL 432 HA VAL 432 1.667 9.998 3.021 25 HB VAL 432 HB VAL 432 4.071 11.833 3.204 26 HG11 VAL 432 HG11 VAL 432 4.468 11.258 0.857 27 HG12 VAL 432 HG12 VAL 432 3.148 10.091 0.919 28 HG13 VAL 432 HG13 VAL 432 4.592 9.841 1.900 29 HG21 VAL 432 HG21 VAL 432 1.963 13.028 2.904 30 HG22 VAL 432 HG22 VAL 432 1.582 12.013 1.513 31 HG23 VAL 432 HG23 VAL 432 2.957 13.117 1.449 32 H SER 433 HN SER 433 2.673 8.075 2.704 33 HA SER 433 HA SER 433 3.910 6.212 3.114 34 HB2 SER 433 HB2 SER 433 5.898 7.673 3.450 35 HB3 SER 433 HB1 SER 433 5.458 7.850 5.148 36 HG SER 433 HG SER 433 5.583 5.467 5.208 37 H GLU 434 HN GLU 434 1.522 7.251 4.597 38 HA GLU 434 HA GLU 434 1.533 6.017 7.169 39 HB2 GLU 434 HB2 GLU 434 -0.032 7.846 6.290 40 HB3 GLU 434 HB1 GLU 434 -0.890 6.565 5.451 41 HG2 GLU 434 HG2 GLU 434 -1.618 5.591 7.453 42 HG3 GLU 434 HG1 GLU 434 -0.443 6.491 8.414 43 H TRP 435 HN TRP 435 1.917 4.686 4.256 44 HA TRP 435 HA TRP 435 0.363 2.259 4.829 45 HB2 TRP 435 HB2 TRP 435 1.727 3.031 2.241 46 HB3 TRP 435 HB1 TRP 435 0.707 1.621 2.534 47 HD1 TRP 435 HD1 TRP 435 -0.024 5.445 3.120 48 HE1 TRP 435 HE1 TRP 435 -2.275 5.957 1.994 49 HE3 TRP 435 HE3 TRP 435 -0.947 0.851 1.086 50 HZ2 TRP 435 HZ2 TRP 435 -4.180 4.595 0.421 51 HZ3 TRP 435 HZ3 TRP 435 -3.010 0.542 -0.235 52 HH2 TRP 435 HH2 TRP 435 -4.589 2.379 -0.562 53 H THR 436 HN THR 436 1.371 0.265 4.806 54 HA THR 436 HA THR 436 4.308 0.240 4.560 55 HB THR 436 HB THR 436 2.753 -1.606 6.380 56 HG1 THR 436 HG1 THR 436 4.236 0.650 7.284 57 HG21 THR 436 HG21 THR 436 4.969 -2.373 5.696 58 HG22 THR 436 HG22 THR 436 4.957 -1.955 7.411 59 HG23 THR 436 HG23 THR 436 5.673 -0.851 6.237 60 H GLU 437 HN GLU 437 4.774 -0.886 2.739 61 HA GLU 437 HA GLU 437 2.884 -2.884 1.812 62 HB2 GLU 437 HB2 GLU 437 4.361 -3.077 -0.189 63 HB3 GLU 437 HB1 GLU 437 3.637 -1.493 0.059 64 HG2 GLU 437 HG2 GLU 437 5.586 -0.505 0.248 65 HG3 GLU 437 HG1 GLU 437 6.248 -1.754 1.300 66 H TYR 438 HN TYR 438 3.560 -4.937 1.111 67 HA TYR 438 HA TYR 438 5.687 -6.122 2.722 68 HB2 TYR 438 HB2 TYR 438 2.778 -6.990 2.848 69 HB3 TYR 438 HB1 TYR 438 4.128 -7.872 3.550 70 HD1 TYR 438 HD1 TYR 438 5.578 -6.476 5.260 71 HD2 TYR 438 HD2 TYR 438 1.557 -5.583 4.202 72 HE1 TYR 438 HE1 TYR 438 5.307 -5.234 7.365 73 HE2 TYR 438 HE2 TYR 438 1.276 -4.336 6.300 74 HH TYR 438 HH TYR 438 2.336 -4.359 8.601 75 H LYS 439 HN LYS 439 6.245 -8.242 1.779 76 HA LYS 439 HA LYS 439 5.056 -8.369 -0.904 77 HB2 LYS 439 HB2 LYS 439 7.539 -7.567 -0.606 78 HB3 LYS 439 HB1 LYS 439 7.847 -9.306 -0.516 79 HG2 LYS 439 HG2 LYS 439 8.007 -8.857 -2.806 80 HG3 LYS 439 HG1 LYS 439 6.345 -9.434 -2.582 81 HD2 LYS 439 HD2 LYS 439 6.216 -7.577 -3.973 82 HD3 LYS 439 HD1 LYS 439 5.515 -7.210 -2.438 83 HE2 LYS 439 HE2 LYS 439 8.396 -6.481 -3.038 84 HE3 LYS 439 HE1 LYS 439 7.074 -5.439 -3.554 85 HZ1 LYS 439 HZ1 LYS 439 7.948 -6.097 -0.810 86 HZ2 LYS 439 HZ2 LYS 439 6.376 -5.539 -1.106 87 HZ3 LYS 439 HZ3 LYS 439 7.704 -4.574 -1.511 88 H THR 440 HN THR 440 4.428 -10.227 -1.696 89 HA THR 440 HA THR 440 4.617 -12.592 0.006 90 HB THR 440 HB THR 440 3.122 -13.650 -1.664 91 HG1 THR 440 HG1 THR 440 2.913 -12.764 -3.557 92 HG21 THR 440 HG21 THR 440 2.177 -12.416 0.246 93 HG22 THR 440 HG22 THR 440 1.137 -12.337 -1.175 94 HG23 THR 440 HG23 THR 440 2.135 -10.952 -0.736 95 H ALA 441 HN ALA 441 5.488 -14.572 -0.711 96 HA ALA 441 HA ALA 441 7.992 -14.450 -1.865 97 HB1 ALA 441 HB1 ALA 441 7.243 -16.267 -0.429 98 HB2 ALA 441 HB2 ALA 441 7.932 -16.879 -1.934 99 HB3 ALA 441 HB3 ALA 441 6.183 -16.849 -1.712 100 H ASP 442 HN ASP 442 4.908 -14.852 -3.474 101 HA ASP 442 HA ASP 442 6.033 -15.876 -5.908 102 HB2 ASP 442 HB2 ASP 442 3.767 -15.602 -6.831 103 HB3 ASP 442 HB1 ASP 442 3.748 -16.452 -5.291 104 H GLY 443 HN GLY 443 6.246 -12.877 -4.589 105 HA2 GLY 443 HA2 GLY 443 7.445 -11.144 -5.631 106 HA3 GLY 443 HA1 GLY 443 7.024 -11.819 -7.195 107 H LYS 444 HN LYS 444 5.222 -10.594 -4.397 108 HA LYS 444 HA LYS 444 3.817 -8.670 -6.152 109 HB2 LYS 444 HB2 LYS 444 2.710 -10.482 -4.086 110 HB3 LYS 444 HB1 LYS 444 1.882 -9.060 -4.662 111 HG2 LYS 444 HG2 LYS 444 2.664 -11.419 -6.382 112 HG3 LYS 444 HG1 LYS 444 1.046 -11.131 -5.738 113 HD2 LYS 444 HD2 LYS 444 2.543 -9.312 -7.623 114 HD3 LYS 444 HD1 LYS 444 1.240 -10.412 -8.073 115 HE2 LYS 444 HE2 LYS 444 -0.278 -9.188 -6.572 116 HE3 LYS 444 HE1 LYS 444 1.027 -8.069 -6.183 117 HZ1 LYS 444 HZ1 LYS 444 1.108 -7.416 -8.512 118 HZ2 LYS 444 HZ2 LYS 444 -0.439 -7.166 -7.877 119 HZ3 LYS 444 HZ3 LYS 444 -0.144 -8.496 -8.881 120 H THR 445 HN THR 445 3.852 -6.667 -5.206 121 HA THR 445 HA THR 445 4.299 -6.704 -2.309 122 HB THR 445 HB THR 445 5.628 -5.097 -3.763 123 HG1 THR 445 HG1 THR 445 5.203 -3.253 -2.333 124 HG21 THR 445 HG21 THR 445 4.564 -3.045 -4.570 125 HG22 THR 445 HG22 THR 445 2.988 -3.665 -4.073 126 HG23 THR 445 HG23 THR 445 3.885 -4.469 -5.360 127 H TYR 446 HN TYR 446 2.730 -5.683 -0.925 128 HA TYR 446 HA TYR 446 0.354 -4.598 -2.210 129 HB2 TYR 446 HB2 TYR 446 -1.078 -5.716 -0.447 130 HB3 TYR 446 HB1 TYR 446 -0.448 -6.754 -1.712 131 HD1 TYR 446 HD2 TYR 446 1.924 -7.902 -1.038 132 HD2 TYR 446 HD1 TYR 446 -1.055 -6.511 1.682 133 HE1 TYR 446 HE2 TYR 446 2.731 -9.480 0.677 134 HE2 TYR 446 HE1 TYR 446 -0.242 -8.074 3.392 135 HH TYR 446 HH TYR 446 0.990 -10.096 3.592 136 H TYR 447 HN TYR 447 -0.243 -2.740 -1.421 137 HA TYR 447 HA TYR 447 1.426 -1.632 0.689 138 HB2 TYR 447 HB2 TYR 447 -0.566 -0.245 -1.122 139 HB3 TYR 447 HB1 TYR 447 0.643 0.530 -0.105 140 HD1 TYR 447 HD1 TYR 447 3.061 0.280 -0.674 141 HD2 TYR 447 HD2 TYR 447 -0.014 -1.041 -3.300 142 HE1 TYR 447 HE1 TYR 447 4.673 0.228 -2.525 143 HE2 TYR 447 HE2 TYR 447 1.594 -1.096 -5.162 144 HH TYR 447 HH TYR 447 4.976 -0.827 -4.658 145 H TYR 448 HN TYR 448 0.710 -1.605 2.691 146 HA TYR 448 HA TYR 448 -2.142 -1.992 3.159 147 HB2 TYR 448 HB2 TYR 448 -0.711 -3.627 4.179 148 HB3 TYR 448 HB1 TYR 448 0.302 -2.378 4.888 149 HD1 TYR 448 HD1 TYR 448 -0.733 -0.878 6.655 150 HD2 TYR 448 HD2 TYR 448 -2.519 -4.511 5.349 151 HE1 TYR 448 HE1 TYR 448 -2.043 -0.993 8.750 152 HE2 TYR 448 HE2 TYR 448 -3.835 -4.628 7.416 153 HH TYR 448 HH TYR 448 -3.874 -3.819 9.615 154 H ASN 449 HN ASN 449 -3.326 -0.276 3.624 155 HA ASN 449 HA ASN 449 -2.061 2.152 4.616 156 HB2 ASN 449 HB2 ASN 449 -3.635 2.437 2.811 157 HB3 ASN 449 HB1 ASN 449 -4.875 1.545 3.688 158 HD21 ASN 449 HD21 ASN 449 -3.130 4.553 3.443 159 HD22 ASN 449 HD22 ASN 449 -4.205 5.472 4.442 160 H ASN 450 HN ASN 450 -1.861 2.482 6.717 161 HA ASN 450 HA ASN 450 -3.184 0.809 8.633 162 HB2 ASN 450 HB2 ASN 450 -1.327 3.172 8.941 163 HB3 ASN 450 HB1 ASN 450 -1.968 2.268 10.307 164 HD21 ASN 450 HD21 ASN 450 0.278 2.300 7.689 165 HD22 ASN 450 HD22 ASN 450 1.113 0.843 8.114 166 H ARG 451 HN ARG 451 -4.367 3.366 7.002 167 HA ARG 451 HA ARG 451 -5.577 4.750 9.250 168 HB2 ARG 451 HB2 ARG 451 -4.620 6.005 7.348 169 HB3 ARG 451 HB1 ARG 451 -5.804 5.267 6.283 170 HG2 ARG 451 HG2 ARG 451 -7.598 6.401 7.391 171 HG3 ARG 451 HG1 ARG 451 -6.499 7.017 8.630 172 HD2 ARG 451 HD2 ARG 451 -6.920 8.773 7.048 173 HD3 ARG 451 HD1 ARG 451 -5.258 8.225 6.850 174 HE ARG 451 HE ARG 451 -7.480 7.560 5.031 175 HH11 ARG 451 HH11 ARG 451 -4.035 7.874 5.646 176 HH12 ARG 451 HH12 ARG 451 -3.620 7.847 3.947 177 HH21 ARG 451 HH21 ARG 451 -6.913 7.499 2.812 178 HH22 ARG 451 HH22 ARG 451 -5.234 7.639 2.355 179 H THR 452 HN THR 452 -6.444 2.430 6.787 180 HA THR 452 HA THR 452 -9.084 2.224 8.052 181 HB THR 452 HB THR 452 -9.478 3.497 6.023 182 HG1 THR 452 HG1 THR 452 -10.385 0.857 6.195 183 HG21 THR 452 HG21 THR 452 -8.944 2.619 3.806 184 HG22 THR 452 HG22 THR 452 -8.146 1.229 4.543 185 HG23 THR 452 HG23 THR 452 -7.485 2.847 4.769 186 H LEU 453 HN LEU 453 -6.318 0.791 7.700 187 HA LEU 453 HA LEU 453 -5.545 -1.333 7.915 188 HB2 LEU 453 HB2 LEU 453 -8.449 -2.112 8.203 189 HB3 LEU 453 HB1 LEU 453 -7.061 -3.061 8.697 190 HG LEU 453 HG LEU 453 -7.866 -0.413 9.904 191 HD11 LEU 453 HD11 LEU 453 -8.155 -3.209 10.990 192 HD12 LEU 453 HD12 LEU 453 -9.469 -2.188 10.405 193 HD13 LEU 453 HD13 LEU 453 -8.557 -1.715 11.840 194 HD21 LEU 453 HD21 LEU 453 -6.216 -0.952 11.628 195 HD22 LEU 453 HD22 LEU 453 -5.466 -0.813 10.037 196 HD23 LEU 453 HD23 LEU 453 -5.761 -2.404 10.737 197 H GLU 454 HN GLU 454 -6.487 -0.228 5.281 198 HA GLU 454 HA GLU 454 -7.423 -2.646 3.935 199 HB2 GLU 454 HB2 GLU 454 -7.632 0.258 3.324 200 HB3 GLU 454 HB1 GLU 454 -7.651 -0.884 1.984 201 HG2 GLU 454 HG2 GLU 454 -9.535 -0.866 4.333 202 HG3 GLU 454 HG1 GLU 454 -9.903 -0.345 2.686 203 H SER 455 HN SER 455 -6.181 -3.789 2.626 204 HA SER 455 HA SER 455 -3.552 -2.708 1.899 205 HB2 SER 455 HB2 SER 455 -3.661 -4.898 3.109 206 HB3 SER 455 HB1 SER 455 -4.540 -5.569 1.735 207 HG SER 455 HG SER 455 -2.243 -5.953 1.702 208 H ASP 456 HN ASP 456 -3.174 -2.097 -0.133 209 HA ASP 456 HA ASP 456 -4.865 -3.173 -2.295 210 HB2 ASP 456 HB2 ASP 456 -5.487 -0.798 -1.478 211 HB3 ASP 456 HB1 ASP 456 -3.980 -0.293 -2.238 212 H TRP 457 HN TRP 457 -3.795 -3.493 -4.247 213 HA TRP 457 HA TRP 457 -0.904 -3.721 -3.944 214 HB2 TRP 457 HB2 TRP 457 -2.413 -4.674 -6.357 215 HB3 TRP 457 HB1 TRP 457 -0.968 -5.350 -5.614 216 HD1 TRP 457 HD1 TRP 457 -4.749 -5.047 -4.914 217 HE1 TRP 457 HE1 TRP 457 -5.490 -7.117 -3.555 218 HE3 TRP 457 HE3 TRP 457 -0.184 -7.263 -4.275 219 HZ2 TRP 457 HZ2 TRP 457 -4.274 -9.399 -2.390 220 HZ3 TRP 457 HZ3 TRP 457 -0.057 -9.382 -3.039 221 HH2 TRP 457 HH2 TRP 457 -2.057 -10.428 -2.117 222 H GLU 458 HN GLU 458 -3.042 -1.513 -5.175 223 HA GLU 458 HA GLU 458 -1.295 -0.755 -7.417 224 HB2 GLU 458 HB2 GLU 458 -4.227 -0.219 -6.925 225 HB3 GLU 458 HB1 GLU 458 -3.315 0.424 -8.276 226 HG2 GLU 458 HG2 GLU 458 -2.871 -1.822 -9.079 227 HG3 GLU 458 HG1 GLU 458 -3.750 -2.492 -7.707 228 H LYS 459 HN LYS 459 -0.627 1.355 -7.643 229 HA LYS 459 HA LYS 459 -0.054 2.720 -5.242 230 HB2 LYS 459 HB2 LYS 459 0.358 3.286 -8.140 231 HB3 LYS 459 HB1 LYS 459 0.588 4.591 -6.991 232 HG2 LYS 459 HG2 LYS 459 2.297 3.351 -5.845 233 HG3 LYS 459 HG1 LYS 459 2.004 1.940 -6.867 234 HD2 LYS 459 HD2 LYS 459 2.883 2.999 -8.771 235 HD3 LYS 459 HD1 LYS 459 2.776 4.599 -8.036 236 HE2 LYS 459 HE2 LYS 459 4.592 2.410 -7.037 237 HE3 LYS 459 HE1 LYS 459 5.093 3.655 -8.184 238 HZ1 LYS 459 HZ1 LYS 459 3.984 4.245 -5.494 239 HZ2 LYS 459 HZ2 LYS 459 4.688 5.347 -6.570 240 HZ3 LYS 459 HZ3 LYS 459 5.644 4.153 -5.827 241 HA PRO 460 HA PRO 460 -3.786 5.252 -5.104 242 HB2 PRO 460 HB2 PRO 460 -3.488 6.025 -2.555 243 HB3 PRO 460 HB1 PRO 460 -4.034 4.391 -2.958 244 HG2 PRO 460 HG2 PRO 460 -1.304 5.336 -2.166 245 HG3 PRO 460 HG1 PRO 460 -2.185 3.894 -1.628 246 HD2 PRO 460 HD2 PRO 460 -0.254 3.866 -3.570 247 HD3 PRO 460 HD1 PRO 460 -1.577 2.687 -3.473 248 H GLN 461 HN GLN 461 -4.058 7.615 -4.360 249 HA GLN 461 HA GLN 461 -2.095 9.144 -5.730 250 HB2 GLN 461 HB2 GLN 461 -4.527 9.705 -5.634 251 HB3 GLN 461 HB1 GLN 461 -4.302 10.189 -3.957 252 HG2 GLN 461 HG2 GLN 461 -2.733 11.918 -4.656 253 HG3 GLN 461 HG1 GLN 461 -2.927 11.422 -6.336 254 HE21 GLN 461 HE21 GLN 461 -3.439 13.990 -5.091 255 HE22 GLN 461 HE22 GLN 461 -5.107 14.357 -5.400 256 H GLU 462 HN GLU 462 -2.283 8.088 -2.514 257 HA GLU 462 HA GLU 462 -0.525 10.209 -1.539 258 HB2 GLU 462 HB2 GLU 462 -0.777 8.850 0.653 259 HB3 GLU 462 HB1 GLU 462 -2.143 9.778 0.080 260 HG2 GLU 462 HG2 GLU 462 -2.883 7.586 -1.049 261 HG3 GLU 462 HG1 GLU 462 -1.737 6.825 0.057 262 H LEU 463 HN LEU 463 0.042 7.653 -3.354 263 HA LEU 463 HA LEU 463 2.686 7.227 -2.262 264 HB2 LEU 463 HB2 LEU 463 1.101 5.683 -1.029 265 HB3 LEU 463 HB1 LEU 463 0.849 4.858 -2.555 266 HG LEU 463 HG LEU 463 3.248 4.295 -2.634 267 HD11 LEU 463 HD11 LEU 463 4.128 6.166 -1.350 268 HD12 LEU 463 HD12 LEU 463 4.631 4.633 -0.639 269 HD13 LEU 463 HD13 LEU 463 3.330 5.564 0.102 270 HD21 LEU 463 HD21 LEU 463 3.199 2.670 -0.776 271 HD22 LEU 463 HD22 LEU 463 1.706 2.699 -1.713 272 HD23 LEU 463 HD23 LEU 463 1.774 3.485 -0.134 273 H LYS 464 HN LYS 464 1.341 8.143 -4.794 274 HA LYS 464 HA LYS 464 2.088 6.081 -6.688 275 HB2 LYS 464 HB2 LYS 464 1.316 7.783 -8.401 276 HB3 LYS 464 HB1 LYS 464 0.093 7.171 -7.300 277 HG2 LYS 464 HG2 LYS 464 0.253 9.217 -5.977 278 HG3 LYS 464 HG1 LYS 464 1.501 9.824 -7.068 279 HD2 LYS 464 HD2 LYS 464 -1.300 9.090 -7.916 280 HD3 LYS 464 HD1 LYS 464 -0.770 10.731 -7.542 281 HE2 LYS 464 HE2 LYS 464 0.888 10.589 -9.345 282 HE3 LYS 464 HE1 LYS 464 0.346 8.952 -9.712 283 HZ1 LYS 464 HZ1 LYS 464 -1.822 9.811 -10.286 284 HZ2 LYS 464 HZ2 LYS 464 -0.635 10.612 -11.197 285 HZ3 LYS 464 HZ3 LYS 464 -1.354 11.386 -9.873 Start of MODEL 8 1 H1 GLY 428 HT1 GLY 428 -4.864 20.434 1.320 2 H2 GLY 428 HT2 GLY 428 -5.083 21.929 0.547 3 H3 GLY 428 HT3 GLY 428 -3.561 21.189 0.542 4 HA2 GLY 428 HA1 GLY 428 -5.975 20.048 -0.745 5 HA3 GLY 428 HA2 GLY 428 -4.739 20.968 -1.594 6 H ALA 429 HN ALA 429 -5.659 18.145 -1.828 7 HA ALA 429 HA ALA 429 -4.733 16.186 -2.487 8 HB1 ALA 429 HB1 ALA 429 -3.030 17.556 -3.590 9 HB2 ALA 429 HB2 ALA 429 -2.357 16.046 -2.974 10 HB3 ALA 429 HB3 ALA 429 -2.075 17.557 -2.108 11 H THR 430 HN THR 430 -3.416 14.324 -1.720 12 HA THR 430 HA THR 430 -2.738 14.445 1.115 13 HB THR 430 HB THR 430 -5.053 13.657 1.072 14 HG1 THR 430 HG1 THR 430 -3.947 11.228 1.657 15 HG21 THR 430 HG21 THR 430 -5.650 11.522 0.024 16 HG22 THR 430 HG22 THR 430 -4.033 11.410 -0.669 17 HG23 THR 430 HG23 THR 430 -5.123 12.702 -1.176 18 H ALA 431 HN ALA 431 -0.986 13.282 1.626 19 HA ALA 431 HA ALA 431 -0.056 11.031 0.140 20 HB1 ALA 431 HB1 ALA 431 1.491 13.614 -0.135 21 HB2 ALA 431 HB2 ALA 431 0.634 12.775 -1.428 22 HB3 ALA 431 HB3 ALA 431 2.038 12.025 -0.672 23 H VAL 432 HN VAL 432 1.267 9.829 1.427 24 HA VAL 432 HA VAL 432 2.921 10.912 3.454 25 HB VAL 432 HB VAL 432 0.757 11.349 4.543 26 HG11 VAL 432 HG11 VAL 432 0.355 8.366 4.385 27 HG12 VAL 432 HG12 VAL 432 -0.578 9.597 3.533 28 HG13 VAL 432 HG13 VAL 432 -0.657 9.490 5.291 29 HG21 VAL 432 HG21 VAL 432 2.347 9.151 5.859 30 HG22 VAL 432 HG22 VAL 432 1.204 10.216 6.677 31 HG23 VAL 432 HG23 VAL 432 2.668 10.883 5.955 32 H SER 433 HN SER 433 4.239 9.347 4.404 33 HA SER 433 HA SER 433 4.305 6.773 3.086 34 HB2 SER 433 HB2 SER 433 6.378 6.572 4.651 35 HB3 SER 433 HB1 SER 433 6.432 7.736 3.326 36 HG SER 433 HG SER 433 6.882 8.267 5.807 37 H GLU 434 HN GLU 434 2.059 7.261 4.768 38 HA GLU 434 HA GLU 434 2.422 5.980 7.313 39 HB2 GLU 434 HB2 GLU 434 0.804 7.772 7.045 40 HB3 GLU 434 HB1 GLU 434 -0.045 6.863 5.808 41 HG2 GLU 434 HG2 GLU 434 0.164 5.405 8.309 42 HG3 GLU 434 HG1 GLU 434 -0.661 6.956 8.482 43 H TRP 435 HN TRP 435 2.139 4.813 4.192 44 HA TRP 435 HA TRP 435 0.477 2.533 4.896 45 HB2 TRP 435 HB2 TRP 435 1.829 3.224 2.281 46 HB3 TRP 435 HB1 TRP 435 0.780 1.835 2.558 47 HD1 TRP 435 HD1 TRP 435 0.256 5.648 3.266 48 HE1 TRP 435 HE1 TRP 435 -2.027 6.306 2.252 49 HE3 TRP 435 HE3 TRP 435 -1.051 1.131 1.279 50 HZ2 TRP 435 HZ2 TRP 435 -4.102 5.050 0.800 51 HZ3 TRP 435 HZ3 TRP 435 -3.201 0.938 0.090 52 HH2 TRP 435 HH2 TRP 435 -4.691 2.858 -0.145 53 H THR 436 HN THR 436 1.153 0.442 4.869 54 HA THR 436 HA THR 436 4.067 0.026 4.909 55 HB THR 436 HB THR 436 2.081 -1.640 6.449 56 HG1 THR 436 HG1 THR 436 2.699 0.923 6.901 57 HG21 THR 436 HG21 THR 436 4.303 -2.598 6.118 58 HG22 THR 436 HG22 THR 436 4.067 -2.162 7.811 59 HG23 THR 436 HG23 THR 436 5.046 -1.135 6.764 60 H GLU 437 HN GLU 437 4.484 -0.905 2.980 61 HA GLU 437 HA GLU 437 2.564 -2.781 1.874 62 HB2 GLU 437 HB2 GLU 437 4.118 -2.867 -0.093 63 HB3 GLU 437 HB1 GLU 437 3.369 -1.302 0.224 64 HG2 GLU 437 HG2 GLU 437 5.370 -0.442 0.083 65 HG3 GLU 437 HG1 GLU 437 5.744 -1.199 1.626 66 H TYR 438 HN TYR 438 3.240 -4.805 1.055 67 HA TYR 438 HA TYR 438 5.253 -6.095 2.731 68 HB2 TYR 438 HB2 TYR 438 2.319 -6.885 2.624 69 HB3 TYR 438 HB1 TYR 438 3.593 -7.901 3.284 70 HD1 TYR 438 HD2 TYR 438 4.919 -6.958 5.284 71 HD2 TYR 438 HD1 TYR 438 1.185 -5.377 3.995 72 HE1 TYR 438 HE2 TYR 438 4.592 -5.941 7.497 73 HE2 TYR 438 HE1 TYR 438 0.851 -4.355 6.209 74 HH TYR 438 HH TYR 438 1.630 -4.705 8.539 75 H LYS 439 HN LYS 439 5.891 -8.136 1.684 76 HA LYS 439 HA LYS 439 4.805 -8.149 -1.036 77 HB2 LYS 439 HB2 LYS 439 7.260 -7.316 -0.612 78 HB3 LYS 439 HB1 LYS 439 7.596 -9.052 -0.602 79 HG2 LYS 439 HG2 LYS 439 7.812 -8.510 -2.858 80 HG3 LYS 439 HG1 LYS 439 6.137 -9.080 -2.712 81 HD2 LYS 439 HD2 LYS 439 6.081 -7.159 -4.018 82 HD3 LYS 439 HD1 LYS 439 5.313 -6.870 -2.490 83 HE2 LYS 439 HE2 LYS 439 8.190 -6.059 -3.103 84 HE3 LYS 439 HE1 LYS 439 6.812 -4.986 -3.312 85 HZ1 LYS 439 HZ1 LYS 439 6.400 -5.509 -0.827 86 HZ2 LYS 439 HZ2 LYS 439 7.606 -4.406 -1.242 87 HZ3 LYS 439 HZ3 LYS 439 8.026 -5.991 -0.815 88 H THR 440 HN THR 440 4.212 -9.939 -1.906 89 HA THR 440 HA THR 440 4.517 -12.396 -0.309 90 HB THR 440 HB THR 440 3.051 -13.491 -1.955 91 HG1 THR 440 HG1 THR 440 2.866 -12.616 -3.852 92 HG21 THR 440 HG21 THR 440 1.979 -10.851 -0.951 93 HG22 THR 440 HG22 THR 440 2.044 -12.358 -0.038 94 HG23 THR 440 HG23 THR 440 1.005 -12.232 -1.457 95 H ALA 441 HN ALA 441 5.394 -14.320 -1.140 96 HA ALA 441 HA ALA 441 7.960 -14.067 -2.096 97 HB1 ALA 441 HB1 ALA 441 6.234 -16.521 -2.262 98 HB2 ALA 441 HB2 ALA 441 7.107 -15.974 -0.830 99 HB3 ALA 441 HB3 ALA 441 7.996 -16.468 -2.270 100 H ASP 442 HN ASP 442 5.043 -14.435 -4.017 101 HA ASP 442 HA ASP 442 6.471 -15.316 -6.358 102 HB2 ASP 442 HB2 ASP 442 4.346 -15.268 -7.499 103 HB3 ASP 442 HB1 ASP 442 4.129 -16.007 -5.919 104 H GLY 443 HN GLY 443 6.523 -12.443 -4.906 105 HA2 GLY 443 HA2 GLY 443 7.650 -10.574 -5.769 106 HA3 GLY 443 HA1 GLY 443 7.296 -11.136 -7.397 107 H LYS 444 HN LYS 444 5.353 -10.280 -4.551 108 HA LYS 444 HA LYS 444 3.762 -8.452 -6.255 109 HB2 LYS 444 HB2 LYS 444 2.875 -10.380 -4.197 110 HB3 LYS 444 HB1 LYS 444 1.911 -9.055 -4.795 111 HG2 LYS 444 HG2 LYS 444 3.025 -11.199 -6.590 112 HG3 LYS 444 HG1 LYS 444 1.455 -11.358 -5.799 113 HD2 LYS 444 HD2 LYS 444 0.649 -9.381 -6.938 114 HD3 LYS 444 HD1 LYS 444 2.243 -9.111 -7.652 115 HE2 LYS 444 HE2 LYS 444 0.462 -10.241 -9.097 116 HE3 LYS 444 HE1 LYS 444 2.063 -10.977 -9.047 117 HZ1 LYS 444 HZ1 LYS 444 0.198 -12.575 -8.829 118 HZ2 LYS 444 HZ2 LYS 444 -0.223 -11.848 -7.357 119 HZ3 LYS 444 HZ3 LYS 444 1.286 -12.619 -7.526 120 H THR 445 HN THR 445 3.524 -6.517 -5.345 121 HA THR 445 HA THR 445 4.069 -6.360 -2.453 122 HB THR 445 HB THR 445 3.419 -3.982 -4.281 123 HG1 THR 445 HG1 THR 445 5.253 -4.107 -5.314 124 HG21 THR 445 HG21 THR 445 5.182 -4.323 -1.866 125 HG22 THR 445 HG22 THR 445 3.634 -3.483 -1.961 126 HG23 THR 445 HG23 THR 445 5.039 -2.831 -2.799 127 H TYR 446 HN TYR 446 2.423 -5.481 -1.097 128 HA TYR 446 HA TYR 446 0.096 -4.289 -2.354 129 HB2 TYR 446 HB2 TYR 446 -1.420 -5.467 -0.718 130 HB3 TYR 446 HB1 TYR 446 -0.777 -6.457 -2.018 131 HD1 TYR 446 HD2 TYR 446 1.665 -7.578 -1.241 132 HD2 TYR 446 HD1 TYR 446 -1.613 -6.507 1.281 133 HE1 TYR 446 HE2 TYR 446 2.365 -9.270 0.413 134 HE2 TYR 446 HE1 TYR 446 -0.902 -8.174 2.933 135 HH TYR 446 HH TYR 446 0.363 -10.200 3.060 136 H TYR 447 HN TYR 447 -0.410 -2.451 -1.466 137 HA TYR 447 HA TYR 447 1.212 -1.591 0.793 138 HB2 TYR 447 HB2 TYR 447 -0.582 0.002 -1.059 139 HB3 TYR 447 HB1 TYR 447 0.495 0.676 0.156 140 HD1 TYR 447 HD1 TYR 447 0.412 -1.173 -3.055 141 HD2 TYR 447 HD2 TYR 447 2.783 1.024 -0.288 142 HE1 TYR 447 HE1 TYR 447 2.228 -1.058 -4.712 143 HE2 TYR 447 HE2 TYR 447 4.602 1.142 -1.934 144 HH TYR 447 HH TYR 447 5.394 -0.009 -3.888 145 H TYR 448 HN TYR 448 0.430 -1.405 2.755 146 HA TYR 448 HA TYR 448 -2.456 -1.723 3.112 147 HB2 TYR 448 HB2 TYR 448 -1.454 -3.489 4.210 148 HB3 TYR 448 HB1 TYR 448 -0.040 -2.555 4.665 149 HD1 TYR 448 HD2 TYR 448 -0.148 -1.019 6.583 150 HD2 TYR 448 HD1 TYR 448 -3.366 -3.624 5.622 151 HE1 TYR 448 HE2 TYR 448 -1.057 -0.734 8.857 152 HE2 TYR 448 HE1 TYR 448 -4.288 -3.343 7.882 153 HH TYR 448 HH TYR 448 -3.508 -2.720 10.124 154 H ASN 449 HN ASN 449 -3.600 -0.066 3.808 155 HA ASN 449 HA ASN 449 -2.272 2.337 4.793 156 HB2 ASN 449 HB2 ASN 449 -3.967 2.518 3.001 157 HB3 ASN 449 HB1 ASN 449 -5.167 1.802 4.067 158 HD21 ASN 449 HD21 ASN 449 -2.743 4.180 5.009 159 HD22 ASN 449 HD22 ASN 449 -3.874 5.440 5.355 160 H ASN 450 HN ASN 450 -2.082 2.686 6.892 161 HA ASN 450 HA ASN 450 -3.272 0.956 8.848 162 HB2 ASN 450 HB2 ASN 450 -1.541 3.429 9.023 163 HB3 ASN 450 HB1 ASN 450 -2.207 2.667 10.464 164 HD21 ASN 450 HD21 ASN 450 0.085 2.425 7.881 165 HD22 ASN 450 HD22 ASN 450 0.957 1.066 8.511 166 H ARG 451 HN ARG 451 -4.365 3.626 7.208 167 HA ARG 451 HA ARG 451 -5.730 4.988 9.324 168 HB2 ARG 451 HB2 ARG 451 -4.841 5.746 6.921 169 HB3 ARG 451 HB1 ARG 451 -6.506 5.393 6.491 170 HG2 ARG 451 HG2 ARG 451 -7.327 7.033 7.998 171 HG3 ARG 451 HG1 ARG 451 -5.727 7.254 8.721 172 HD2 ARG 451 HD2 ARG 451 -6.674 8.047 5.979 173 HD3 ARG 451 HD1 ARG 451 -5.954 9.060 7.234 174 HE ARG 451 HE ARG 451 -3.955 7.363 6.764 175 HH11 ARG 451 HH11 ARG 451 -5.940 9.192 4.508 176 HH12 ARG 451 HH12 ARG 451 -4.740 9.162 3.249 177 HH21 ARG 451 HH21 ARG 451 -2.423 7.326 5.120 178 HH22 ARG 451 HH22 ARG 451 -2.758 8.077 3.579 179 H THR 452 HN THR 452 -6.518 2.391 7.131 180 HA THR 452 HA THR 452 -9.216 2.334 8.245 181 HB THR 452 HB THR 452 -9.465 3.552 6.162 182 HG1 THR 452 HG1 THR 452 -10.742 1.849 4.967 183 HG21 THR 452 HG21 THR 452 -7.431 2.845 5.041 184 HG22 THR 452 HG22 THR 452 -8.833 2.570 4.004 185 HG23 THR 452 HG23 THR 452 -8.081 1.216 4.850 186 H LEU 453 HN LEU 453 -6.419 0.870 7.931 187 HA LEU 453 HA LEU 453 -5.641 -1.245 8.149 188 HB2 LEU 453 HB2 LEU 453 -8.531 -2.008 8.577 189 HB3 LEU 453 HB1 LEU 453 -7.126 -2.947 9.036 190 HG LEU 453 HG LEU 453 -7.925 -0.286 10.223 191 HD11 LEU 453 HD11 LEU 453 -9.399 -2.102 10.891 192 HD12 LEU 453 HD12 LEU 453 -8.389 -1.573 12.237 193 HD13 LEU 453 HD13 LEU 453 -8.004 -3.065 11.380 194 HD21 LEU 453 HD21 LEU 453 -6.131 -0.703 11.831 195 HD22 LEU 453 HD22 LEU 453 -5.508 -0.564 10.187 196 HD23 LEU 453 HD23 LEU 453 -5.668 -2.153 10.937 197 H GLU 454 HN GLU 454 -6.646 -0.196 5.528 198 HA GLU 454 HA GLU 454 -7.485 -2.696 4.261 199 HB2 GLU 454 HB2 GLU 454 -7.928 0.150 3.390 200 HB3 GLU 454 HB1 GLU 454 -8.294 -1.240 2.378 201 HG2 GLU 454 HG2 GLU 454 -9.540 -0.588 5.038 202 HG3 GLU 454 HG1 GLU 454 -10.292 -0.420 3.454 203 H SER 455 HN SER 455 -6.318 -3.585 2.602 204 HA SER 455 HA SER 455 -3.909 -2.108 1.770 205 HB2 SER 455 HB2 SER 455 -2.766 -4.380 1.740 206 HB3 SER 455 HB1 SER 455 -3.143 -3.728 3.332 207 HG SER 455 HG SER 455 -4.946 -5.090 3.424 208 H ASP 456 HN ASP 456 -3.474 -2.069 -0.358 209 HA ASP 456 HA ASP 456 -4.843 -3.969 -2.126 210 HB2 ASP 456 HB2 ASP 456 -5.361 -2.117 -3.716 211 HB3 ASP 456 HB1 ASP 456 -6.253 -2.016 -2.204 212 H TRP 457 HN TRP 457 -3.829 -4.276 -4.167 213 HA TRP 457 HA TRP 457 -0.951 -4.225 -3.896 214 HB2 TRP 457 HB2 TRP 457 -2.334 -5.217 -6.362 215 HB3 TRP 457 HB1 TRP 457 -0.894 -5.838 -5.569 216 HD1 TRP 457 HD1 TRP 457 -4.726 -5.769 -5.061 217 HE1 TRP 457 HE1 TRP 457 -5.400 -7.914 -3.786 218 HE3 TRP 457 HE3 TRP 457 -0.069 -7.702 -4.225 219 HZ2 TRP 457 HZ2 TRP 457 -4.106 -10.135 -2.599 220 HZ3 TRP 457 HZ3 TRP 457 0.131 -9.840 -3.029 221 HH2 TRP 457 HH2 TRP 457 -1.845 -11.033 -2.229 222 H GLU 458 HN GLU 458 -3.132 -2.058 -5.111 223 HA GLU 458 HA GLU 458 -1.528 -1.386 -7.469 224 HB2 GLU 458 HB2 GLU 458 -4.385 -0.735 -6.737 225 HB3 GLU 458 HB1 GLU 458 -3.565 -0.075 -8.141 226 HG2 GLU 458 HG2 GLU 458 -3.250 -2.293 -9.050 227 HG3 GLU 458 HG1 GLU 458 -3.979 -3.005 -7.615 228 H LYS 459 HN LYS 459 -0.098 0.110 -7.194 229 HA LYS 459 HA LYS 459 0.571 1.579 -5.083 230 HB2 LYS 459 HB2 LYS 459 1.985 1.549 -6.981 231 HB3 LYS 459 HB1 LYS 459 0.773 2.318 -7.993 232 HG2 LYS 459 HG2 LYS 459 1.031 4.387 -6.691 233 HG3 LYS 459 HG1 LYS 459 2.289 3.603 -5.733 234 HD2 LYS 459 HD2 LYS 459 2.539 3.607 -8.702 235 HD3 LYS 459 HD1 LYS 459 2.895 5.094 -7.823 236 HE2 LYS 459 HE2 LYS 459 4.115 2.481 -7.008 237 HE3 LYS 459 HE1 LYS 459 4.818 3.446 -8.308 238 HZ1 LYS 459 HZ1 LYS 459 5.855 3.926 -6.175 239 HZ2 LYS 459 HZ2 LYS 459 4.360 4.383 -5.523 240 HZ3 LYS 459 HZ3 LYS 459 5.047 5.296 -6.769 241 HA PRO 460 HA PRO 460 -3.003 4.181 -4.342 242 HB2 PRO 460 HB2 PRO 460 -1.988 5.268 -2.049 243 HB3 PRO 460 HB1 PRO 460 -2.771 3.686 -2.119 244 HG2 PRO 460 HG2 PRO 460 0.147 4.358 -2.139 245 HG3 PRO 460 HG1 PRO 460 -0.704 3.082 -1.245 246 HD2 PRO 460 HD2 PRO 460 0.654 2.552 -3.495 247 HD3 PRO 460 HD1 PRO 460 -0.860 1.710 -3.103 248 H GLN 461 HN GLN 461 -3.473 6.375 -4.421 249 HA GLN 461 HA GLN 461 -1.802 7.985 -5.992 250 HB2 GLN 461 HB2 GLN 461 -4.255 8.252 -5.821 251 HB3 GLN 461 HB1 GLN 461 -4.058 8.873 -4.189 252 HG2 GLN 461 HG2 GLN 461 -2.681 10.721 -5.132 253 HG3 GLN 461 HG1 GLN 461 -3.099 10.137 -6.742 254 HE21 GLN 461 HE21 GLN 461 -5.229 10.325 -7.463 255 HE22 GLN 461 HE22 GLN 461 -6.351 11.416 -6.712 256 H GLU 462 HN GLU 462 -2.006 7.630 -2.531 257 HA GLU 462 HA GLU 462 -0.686 10.092 -1.895 258 HB2 GLU 462 HB2 GLU 462 -1.038 7.629 -0.179 259 HB3 GLU 462 HB1 GLU 462 -0.585 9.229 0.384 260 HG2 GLU 462 HG2 GLU 462 -2.775 10.068 -0.415 261 HG3 GLU 462 HG1 GLU 462 -3.221 8.408 -0.800 262 H LEU 463 HN LEU 463 0.413 7.262 -3.235 263 HA LEU 463 HA LEU 463 3.170 7.813 -2.434 264 HB2 LEU 463 HB2 LEU 463 2.128 6.079 -0.913 265 HB3 LEU 463 HB1 LEU 463 1.984 5.037 -2.316 266 HG LEU 463 HG LEU 463 4.444 5.078 -2.579 267 HD11 LEU 463 HD11 LEU 463 5.827 5.964 -0.772 268 HD12 LEU 463 HD12 LEU 463 4.387 6.598 0.025 269 HD13 LEU 463 HD13 LEU 463 4.884 7.240 -1.541 270 HD21 LEU 463 HD21 LEU 463 3.484 4.224 0.151 271 HD22 LEU 463 HD22 LEU 463 4.943 3.655 -0.660 272 HD23 LEU 463 HD23 LEU 463 3.355 3.278 -1.330 273 H LYS 464 HN LYS 464 1.419 8.045 -4.836 274 HA LYS 464 HA LYS 464 2.229 5.986 -6.661 275 HB2 LYS 464 HB2 LYS 464 0.045 7.155 -6.837 276 HB3 LYS 464 HB1 LYS 464 0.898 8.642 -7.227 277 HG2 LYS 464 HG2 LYS 464 1.770 7.636 -9.259 278 HG3 LYS 464 HG1 LYS 464 0.965 6.114 -8.865 279 HD2 LYS 464 HD2 LYS 464 -0.433 8.750 -9.322 280 HD3 LYS 464 HD1 LYS 464 -0.287 7.461 -10.517 281 HE2 LYS 464 HE2 LYS 464 -1.572 7.089 -7.819 282 HE3 LYS 464 HE1 LYS 464 -2.468 7.536 -9.269 283 HZ1 LYS 464 HZ1 LYS 464 -2.484 5.126 -8.778 284 HZ2 LYS 464 HZ2 LYS 464 -0.809 5.084 -9.044 285 HZ3 LYS 464 HZ3 LYS 464 -1.855 5.497 -10.308 Start of MODEL 9 1 H1 GLY 428 HT1 GLY 428 0.241 17.894 -0.289 2 H2 GLY 428 HT2 GLY 428 -0.791 19.019 0.443 3 H3 GLY 428 HT3 GLY 428 -1.380 18.011 -0.785 4 HA2 GLY 428 HA1 GLY 428 -2.165 17.168 1.284 5 HA3 GLY 428 HA2 GLY 428 -0.953 16.067 0.643 6 H ALA 429 HN ALA 429 -1.982 17.481 3.380 7 HA ALA 429 HA ALA 429 0.699 17.390 4.594 8 HB1 ALA 429 HB1 ALA 429 0.102 19.257 6.048 9 HB2 ALA 429 HB2 ALA 429 -1.461 19.392 5.243 10 HB3 ALA 429 HB3 ALA 429 0.023 19.729 4.351 11 H THR 430 HN THR 430 -2.670 16.705 4.771 12 HA THR 430 HA THR 430 -2.359 15.568 7.464 13 HB THR 430 HB THR 430 -4.923 16.206 5.988 14 HG1 THR 430 HG1 THR 430 -3.404 17.659 7.918 15 HG21 THR 430 HG21 THR 430 -5.970 15.934 8.186 16 HG22 THR 430 HG22 THR 430 -4.407 15.511 8.884 17 HG23 THR 430 HG23 THR 430 -5.154 14.451 7.689 18 H ALA 431 HN ALA 431 -1.860 13.495 7.385 19 HA ALA 431 HA ALA 431 -1.960 11.269 7.007 20 HB1 ALA 431 HB1 ALA 431 -3.944 10.251 6.047 21 HB2 ALA 431 HB2 ALA 431 -4.507 11.829 5.494 22 HB3 ALA 431 HB3 ALA 431 -4.390 11.490 7.221 23 H VAL 432 HN VAL 432 -0.209 10.898 5.844 24 HA VAL 432 HA VAL 432 -0.507 10.289 3.057 25 HB VAL 432 HB VAL 432 -0.115 12.700 2.862 26 HG11 VAL 432 HG11 VAL 432 1.068 13.092 4.952 27 HG12 VAL 432 HG12 VAL 432 1.997 13.712 3.588 28 HG13 VAL 432 HG13 VAL 432 2.458 12.190 4.350 29 HG21 VAL 432 HG21 VAL 432 1.845 12.647 1.383 30 HG22 VAL 432 HG22 VAL 432 0.776 11.270 1.118 31 HG23 VAL 432 HG23 VAL 432 2.273 11.062 2.026 32 H SER 433 HN SER 433 0.913 8.735 2.454 33 HA SER 433 HA SER 433 2.654 7.274 2.469 34 HB2 SER 433 HB2 SER 433 4.068 9.304 2.657 35 HB3 SER 433 HB1 SER 433 3.952 9.207 4.411 36 HG SER 433 HG SER 433 4.867 7.011 4.110 37 H GLU 434 HN GLU 434 0.416 7.199 4.448 38 HA GLU 434 HA GLU 434 1.622 5.996 6.813 39 HB2 GLU 434 HB2 GLU 434 -1.225 5.631 6.710 40 HB3 GLU 434 HB1 GLU 434 -0.276 6.597 7.826 41 HG2 GLU 434 HG2 GLU 434 -1.754 8.121 6.910 42 HG3 GLU 434 HG1 GLU 434 -0.282 8.378 5.977 43 H TRP 435 HN TRP 435 1.936 4.718 4.175 44 HA TRP 435 HA TRP 435 0.413 2.237 4.603 45 HB2 TRP 435 HB2 TRP 435 1.756 3.105 2.039 46 HB3 TRP 435 HB1 TRP 435 0.739 1.687 2.295 47 HD1 TRP 435 HD1 TRP 435 0.056 5.454 3.040 48 HE1 TRP 435 HE1 TRP 435 -2.210 6.045 1.982 49 HE3 TRP 435 HE3 TRP 435 -0.973 0.960 0.879 50 HZ2 TRP 435 HZ2 TRP 435 -4.186 4.754 0.407 51 HZ3 TRP 435 HZ3 TRP 435 -3.076 0.709 -0.395 52 HH2 TRP 435 HH2 TRP 435 -4.644 2.570 -0.625 53 H THR 436 HN THR 436 1.416 0.265 4.467 54 HA THR 436 HA THR 436 4.337 0.217 4.148 55 HB THR 436 HB THR 436 2.828 -1.396 6.224 56 HG1 THR 436 HG1 THR 436 4.000 1.125 6.309 57 HG21 THR 436 HG21 THR 436 5.061 -1.964 7.056 58 HG22 THR 436 HG22 THR 436 5.791 -1.029 5.751 59 HG23 THR 436 HG23 THR 436 4.860 -2.482 5.382 60 H GLU 437 HN GLU 437 4.768 -1.078 2.451 61 HA GLU 437 HA GLU 437 2.732 -2.960 1.600 62 HB2 GLU 437 HB2 GLU 437 4.200 -3.298 -0.411 63 HB3 GLU 437 HB1 GLU 437 3.514 -1.691 -0.215 64 HG2 GLU 437 HG2 GLU 437 5.481 -0.735 -0.003 65 HG3 GLU 437 HG1 GLU 437 6.150 -2.032 0.992 66 H TYR 438 HN TYR 438 3.257 -5.061 0.899 67 HA TYR 438 HA TYR 438 5.228 -6.372 2.615 68 HB2 TYR 438 HB2 TYR 438 2.251 -6.993 2.601 69 HB3 TYR 438 HB1 TYR 438 3.478 -8.003 3.350 70 HD1 TYR 438 HD1 TYR 438 4.849 -6.971 5.259 71 HD2 TYR 438 HD2 TYR 438 1.218 -5.292 3.815 72 HE1 TYR 438 HE1 TYR 438 4.586 -5.740 7.373 73 HE2 TYR 438 HE2 TYR 438 0.946 -4.059 5.922 74 HH TYR 438 HH TYR 438 3.439 -3.765 8.228 75 H LYS 439 HN LYS 439 5.686 -8.530 1.712 76 HA LYS 439 HA LYS 439 4.596 -8.626 -1.008 77 HB2 LYS 439 HB2 LYS 439 7.098 -7.938 -0.614 78 HB3 LYS 439 HB1 LYS 439 7.319 -9.687 -0.498 79 HG2 LYS 439 HG2 LYS 439 7.599 -9.258 -2.779 80 HG3 LYS 439 HG1 LYS 439 5.911 -9.773 -2.626 81 HD2 LYS 439 HD2 LYS 439 5.975 -7.890 -4.033 82 HD3 LYS 439 HD1 LYS 439 5.129 -7.555 -2.571 83 HE2 LYS 439 HE2 LYS 439 8.070 -6.857 -2.815 84 HE3 LYS 439 HE1 LYS 439 6.843 -5.791 -3.492 85 HZ1 LYS 439 HZ1 LYS 439 5.827 -5.778 -1.207 86 HZ2 LYS 439 HZ2 LYS 439 7.310 -4.980 -1.346 87 HZ3 LYS 439 HZ3 LYS 439 7.242 -6.522 -0.645 88 H THR 440 HN THR 440 4.067 -10.488 -1.885 89 HA THR 440 HA THR 440 4.127 -12.865 -0.186 90 HB THR 440 HB THR 440 2.882 -13.955 -2.045 91 HG1 THR 440 HG1 THR 440 2.783 -13.017 -3.934 92 HG21 THR 440 HG21 THR 440 1.659 -12.823 -0.244 93 HG22 THR 440 HG22 THR 440 0.804 -12.701 -1.783 94 HG23 THR 440 HG23 THR 440 1.705 -11.317 -1.164 95 H ALA 441 HN ALA 441 5.142 -14.817 -0.836 96 HA ALA 441 HA ALA 441 7.782 -14.550 -1.625 97 HB1 ALA 441 HB1 ALA 441 6.910 -16.458 -0.361 98 HB2 ALA 441 HB2 ALA 441 7.857 -16.976 -1.756 99 HB3 ALA 441 HB3 ALA 441 6.096 -17.041 -1.811 100 H ASP 442 HN ASP 442 4.970 -15.021 -3.627 101 HA ASP 442 HA ASP 442 6.444 -15.846 -5.949 102 HB2 ASP 442 HB2 ASP 442 4.239 -15.592 -7.103 103 HB3 ASP 442 HB1 ASP 442 4.212 -16.666 -5.709 104 H GLY 443 HN GLY 443 6.358 -12.924 -4.491 105 HA2 GLY 443 HA2 GLY 443 7.608 -11.123 -5.326 106 HA3 GLY 443 HA1 GLY 443 7.372 -11.734 -6.953 107 H LYS 444 HN LYS 444 4.918 -11.001 -4.518 108 HA LYS 444 HA LYS 444 3.869 -8.885 -6.311 109 HB2 LYS 444 HB2 LYS 444 2.494 -10.794 -4.528 110 HB3 LYS 444 HB1 LYS 444 1.740 -9.368 -5.194 111 HG2 LYS 444 HG2 LYS 444 2.222 -10.253 -7.488 112 HG3 LYS 444 HG1 LYS 444 2.811 -11.734 -6.738 113 HD2 LYS 444 HD2 LYS 444 0.557 -12.098 -7.463 114 HD3 LYS 444 HD1 LYS 444 0.563 -12.021 -5.700 115 HE2 LYS 444 HE2 LYS 444 -0.288 -9.786 -5.727 116 HE3 LYS 444 HE1 LYS 444 -0.087 -9.679 -7.478 117 HZ1 LYS 444 HZ1 LYS 444 -1.766 -11.377 -7.754 118 HZ2 LYS 444 HZ2 LYS 444 -2.396 -10.086 -6.855 119 HZ3 LYS 444 HZ3 LYS 444 -1.950 -11.526 -6.076 120 H THR 445 HN THR 445 3.650 -6.939 -5.373 121 HA THR 445 HA THR 445 3.995 -6.948 -2.468 122 HB THR 445 HB THR 445 5.459 -5.443 -3.843 123 HG1 THR 445 HG1 THR 445 4.890 -3.465 -2.579 124 HG21 THR 445 HG21 THR 445 4.555 -3.400 -4.847 125 HG22 THR 445 HG22 THR 445 2.917 -3.932 -4.461 126 HG23 THR 445 HG23 THR 445 3.889 -4.839 -5.619 127 H TYR 446 HN TYR 446 2.461 -5.842 -1.144 128 HA TYR 446 HA TYR 446 0.179 -4.587 -2.450 129 HB2 TYR 446 HB2 TYR 446 -1.301 -5.606 -0.622 130 HB3 TYR 446 HB1 TYR 446 -0.823 -6.645 -1.953 131 HD1 TYR 446 HD1 TYR 446 1.453 -8.025 -1.447 132 HD2 TYR 446 HD2 TYR 446 -1.227 -6.480 1.489 133 HE1 TYR 446 HE1 TYR 446 2.206 -9.740 0.151 134 HE2 TYR 446 HE2 TYR 446 -0.453 -8.171 3.096 135 HH TYR 446 HH TYR 446 0.603 -10.339 3.128 136 H TYR 447 HN TYR 447 -0.279 -2.670 -1.640 137 HA TYR 447 HA TYR 447 1.406 -1.736 0.540 138 HB2 TYR 447 HB2 TYR 447 -0.373 -0.223 -1.387 139 HB3 TYR 447 HB1 TYR 447 0.631 0.521 -0.155 140 HD1 TYR 447 HD1 TYR 447 0.729 -1.420 -3.304 141 HD2 TYR 447 HD2 TYR 447 2.927 0.897 -0.495 142 HE1 TYR 447 HE1 TYR 447 2.623 -1.325 -4.870 143 HE2 TYR 447 HE2 TYR 447 4.826 0.998 -2.051 144 HH TYR 447 HH TYR 447 5.702 -0.417 -3.954 145 H TYR 448 HN TYR 448 0.665 -1.741 2.511 146 HA TYR 448 HA TYR 448 -2.201 -1.994 2.967 147 HB2 TYR 448 HB2 TYR 448 -0.874 -3.685 3.995 148 HB3 TYR 448 HB1 TYR 448 0.262 -2.510 4.628 149 HD1 TYR 448 HD2 TYR 448 -0.662 -0.853 6.387 150 HD2 TYR 448 HD1 TYR 448 -2.572 -4.506 5.334 151 HE1 TYR 448 HE2 TYR 448 -1.844 -0.866 8.557 152 HE2 TYR 448 HE1 TYR 448 -3.757 -4.523 7.487 153 HH TYR 448 HH TYR 448 -3.402 -3.575 9.773 154 H ASN 449 HN ASN 449 -3.349 -0.258 3.530 155 HA ASN 449 HA ASN 449 -1.959 2.127 4.447 156 HB2 ASN 449 HB2 ASN 449 -3.615 2.484 2.741 157 HB3 ASN 449 HB1 ASN 449 -4.836 1.616 3.668 158 HD21 ASN 449 HD21 ASN 449 -2.929 4.547 3.487 159 HD22 ASN 449 HD22 ASN 449 -3.933 5.498 4.531 160 H ASN 450 HN ASN 450 -1.631 2.451 6.525 161 HA ASN 450 HA ASN 450 -2.896 0.832 8.522 162 HB2 ASN 450 HB2 ASN 450 -0.998 3.176 8.749 163 HB3 ASN 450 HB1 ASN 450 -1.562 2.236 10.125 164 HD21 ASN 450 HD21 ASN 450 0.515 2.309 7.358 165 HD22 ASN 450 HD22 ASN 450 1.387 0.859 7.726 166 H ARG 451 HN ARG 451 -4.030 3.461 6.923 167 HA ARG 451 HA ARG 451 -5.099 4.878 9.218 168 HB2 ARG 451 HB2 ARG 451 -4.185 5.991 7.115 169 HB3 ARG 451 HB1 ARG 451 -5.652 5.456 6.313 170 HG2 ARG 451 HG2 ARG 451 -6.966 6.719 8.001 171 HG3 ARG 451 HG1 ARG 451 -5.444 7.349 8.639 172 HD2 ARG 451 HD2 ARG 451 -6.264 8.992 7.154 173 HD3 ARG 451 HD1 ARG 451 -4.951 8.177 6.308 174 HE ARG 451 HE ARG 451 -7.759 7.422 5.832 175 HH11 ARG 451 HH11 ARG 451 -4.600 8.327 4.616 176 HH12 ARG 451 HH12 ARG 451 -5.124 8.389 2.963 177 HH21 ARG 451 HH21 ARG 451 -8.429 7.461 3.668 178 HH22 ARG 451 HH22 ARG 451 -7.303 7.885 2.410 179 H THR 452 HN THR 452 -6.146 2.482 6.909 180 HA THR 452 HA THR 452 -8.739 2.481 8.266 181 HB THR 452 HB THR 452 -9.072 3.679 6.139 182 HG1 THR 452 HG1 THR 452 -10.411 1.483 5.346 183 HG21 THR 452 HG21 THR 452 -7.284 2.691 4.823 184 HG22 THR 452 HG22 THR 452 -8.832 2.490 4.001 185 HG23 THR 452 HG23 THR 452 -8.101 1.128 4.851 186 H LEU 453 HN LEU 453 -6.030 0.978 7.793 187 HA LEU 453 HA LEU 453 -5.275 -1.135 8.089 188 HB2 LEU 453 HB2 LEU 453 -8.156 -1.864 8.626 189 HB3 LEU 453 HB1 LEU 453 -6.734 -2.768 9.112 190 HG LEU 453 HG LEU 453 -7.463 -0.026 10.139 191 HD11 LEU 453 HD11 LEU 453 -9.042 -1.722 10.893 192 HD12 LEU 453 HD12 LEU 453 -8.017 -1.175 12.221 193 HD13 LEU 453 HD13 LEU 453 -7.706 -2.729 11.450 194 HD21 LEU 453 HD21 LEU 453 -5.065 -0.422 10.154 195 HD22 LEU 453 HD22 LEU 453 -5.308 -1.956 10.988 196 HD23 LEU 453 HD23 LEU 453 -5.710 -0.441 11.796 197 H GLU 454 HN GLU 454 -6.424 -0.169 5.469 198 HA GLU 454 HA GLU 454 -7.154 -2.756 4.336 199 HB2 GLU 454 HB2 GLU 454 -7.925 0.014 3.463 200 HB3 GLU 454 HB1 GLU 454 -8.211 -1.416 2.475 201 HG2 GLU 454 HG2 GLU 454 -9.597 -2.371 4.232 202 HG3 GLU 454 HG1 GLU 454 -9.287 -0.969 5.252 203 H SER 455 HN SER 455 -5.937 -3.668 2.814 204 HA SER 455 HA SER 455 -3.622 -2.144 1.837 205 HB2 SER 455 HB2 SER 455 -2.755 -4.581 1.458 206 HB3 SER 455 HB1 SER 455 -2.773 -3.918 3.093 207 HG SER 455 HG SER 455 -4.016 -6.091 2.171 208 H ASP 456 HN ASP 456 -3.342 -1.832 -0.290 209 HA ASP 456 HA ASP 456 -4.796 -3.559 -2.180 210 HB2 ASP 456 HB2 ASP 456 -5.874 -1.268 -1.916 211 HB3 ASP 456 HB1 ASP 456 -4.404 -0.594 -2.616 212 H TRP 457 HN TRP 457 -3.682 -4.002 -4.098 213 HA TRP 457 HA TRP 457 -0.863 -4.161 -3.743 214 HB2 TRP 457 HB2 TRP 457 -2.200 -4.683 -6.376 215 HB3 TRP 457 HB1 TRP 457 -0.832 -5.514 -5.646 216 HD1 TRP 457 HD1 TRP 457 -4.652 -5.284 -5.404 217 HE1 TRP 457 HE1 TRP 457 -5.535 -7.457 -4.315 218 HE3 TRP 457 HE3 TRP 457 -0.186 -7.460 -4.219 219 HZ2 TRP 457 HZ2 TRP 457 -4.455 -9.787 -3.122 220 HZ3 TRP 457 HZ3 TRP 457 -0.193 -9.656 -3.108 221 HH2 TRP 457 HH2 TRP 457 -2.282 -10.792 -2.576 222 H GLU 458 HN GLU 458 -2.939 -1.925 -5.357 223 HA GLU 458 HA GLU 458 -0.925 -1.112 -7.275 224 HB2 GLU 458 HB2 GLU 458 -3.726 -0.107 -6.758 225 HB3 GLU 458 HB1 GLU 458 -2.704 0.402 -8.087 226 HG2 GLU 458 HG2 GLU 458 -3.744 -2.374 -7.615 227 HG3 GLU 458 HG1 GLU 458 -4.301 -1.237 -8.841 228 H LYS 459 HN LYS 459 0.035 0.908 -7.392 229 HA LYS 459 HA LYS 459 0.754 2.043 -4.889 230 HB2 LYS 459 HB2 LYS 459 2.081 1.912 -7.136 231 HB3 LYS 459 HB1 LYS 459 1.235 3.398 -7.529 232 HG2 LYS 459 HG2 LYS 459 2.205 4.491 -5.578 233 HG3 LYS 459 HG1 LYS 459 3.020 2.990 -5.133 234 HD2 LYS 459 HD2 LYS 459 4.062 3.100 -7.485 235 HD3 LYS 459 HD1 LYS 459 3.529 4.781 -7.491 236 HE2 LYS 459 HE2 LYS 459 5.293 3.554 -5.378 237 HE3 LYS 459 HE1 LYS 459 5.892 4.452 -6.769 238 HZ1 LYS 459 HZ1 LYS 459 5.774 5.846 -4.810 239 HZ2 LYS 459 HZ2 LYS 459 4.119 5.534 -4.644 240 HZ3 LYS 459 HZ3 LYS 459 4.682 6.399 -5.984 241 HA PRO 460 HA PRO 460 -2.928 4.552 -4.713 242 HB2 PRO 460 HB2 PRO 460 -2.492 5.579 -2.253 243 HB3 PRO 460 HB1 PRO 460 -3.020 3.912 -2.503 244 HG2 PRO 460 HG2 PRO 460 -0.265 4.967 -1.977 245 HG3 PRO 460 HG1 PRO 460 -1.077 3.559 -1.267 246 HD2 PRO 460 HD2 PRO 460 0.717 3.339 -3.279 247 HD3 PRO 460 HD1 PRO 460 -0.660 2.231 -3.103 248 H GLN 461 HN GLN 461 -3.490 6.686 -4.959 249 HA GLN 461 HA GLN 461 -1.604 8.547 -5.895 250 HB2 GLN 461 HB2 GLN 461 -4.059 8.550 -6.394 251 HB3 GLN 461 HB1 GLN 461 -4.347 9.136 -4.761 252 HG2 GLN 461 HG2 GLN 461 -2.888 11.106 -5.338 253 HG3 GLN 461 HG1 GLN 461 -2.937 10.545 -7.009 254 HE21 GLN 461 HE21 GLN 461 -5.715 9.571 -6.680 255 HE22 GLN 461 HE22 GLN 461 -6.707 10.988 -6.699 256 H GLU 462 HN GLU 462 -2.590 7.723 -2.712 257 HA GLU 462 HA GLU 462 -1.828 10.178 -1.432 258 HB2 GLU 462 HB2 GLU 462 -2.110 7.493 -0.091 259 HB3 GLU 462 HB1 GLU 462 -2.370 9.085 0.603 260 HG2 GLU 462 HG2 GLU 462 -4.097 7.787 -1.488 261 HG3 GLU 462 HG1 GLU 462 -4.458 7.886 0.232 262 H LEU 463 HN LEU 463 -0.110 7.835 -2.910 263 HA LEU 463 HA LEU 463 2.347 8.523 -1.513 264 HB2 LEU 463 HB2 LEU 463 1.398 6.434 -0.461 265 HB3 LEU 463 HB1 LEU 463 1.546 5.650 -2.022 266 HG LEU 463 HG LEU 463 3.992 5.954 -1.938 267 HD11 LEU 463 HD11 LEU 463 3.473 7.069 0.812 268 HD12 LEU 463 HD12 LEU 463 4.079 7.967 -0.581 269 HD13 LEU 463 HD13 LEU 463 5.056 6.684 0.136 270 HD21 LEU 463 HD21 LEU 463 4.438 4.318 -0.187 271 HD22 LEU 463 HD22 LEU 463 2.988 3.891 -1.096 272 HD23 LEU 463 HD23 LEU 463 2.844 4.614 0.506 273 H LYS 464 HN LYS 464 1.104 9.167 -4.013 274 HA LYS 464 HA LYS 464 1.834 7.583 -6.188 275 HB2 LYS 464 HB2 LYS 464 0.165 9.344 -6.329 276 HB3 LYS 464 HB1 LYS 464 1.393 10.565 -6.023 277 HG2 LYS 464 HG2 LYS 464 2.511 9.564 -8.155 278 HG3 LYS 464 HG1 LYS 464 0.883 8.966 -8.482 279 HD2 LYS 464 HD2 LYS 464 1.290 11.137 -9.548 280 HD3 LYS 464 HD1 LYS 464 0.005 11.233 -8.342 281 HE2 LYS 464 HE2 LYS 464 1.618 13.139 -8.276 282 HE3 LYS 464 HE1 LYS 464 1.471 12.260 -6.755 283 HZ1 LYS 464 HZ1 LYS 464 3.796 12.847 -7.518 284 HZ2 LYS 464 HZ2 LYS 464 3.609 11.660 -8.715 285 HZ3 LYS 464 HZ3 LYS 464 3.538 11.228 -7.076 Start of MODEL 10 1 H1 GLY 428 HT1 GLY 428 6.391 17.734 5.929 2 H2 GLY 428 HT2 GLY 428 7.793 17.020 6.562 3 H3 GLY 428 HT3 GLY 428 7.677 18.709 6.447 4 HA2 GLY 428 HA1 GLY 428 7.352 17.978 8.727 5 HA3 GLY 428 HA2 GLY 428 5.915 18.754 8.072 6 H ALA 429 HN ALA 429 5.446 17.269 10.189 7 HA ALA 429 HA ALA 429 4.927 14.509 9.540 8 HB1 ALA 429 HB1 ALA 429 4.004 14.372 11.794 9 HB2 ALA 429 HB2 ALA 429 4.102 16.126 11.950 10 HB3 ALA 429 HB3 ALA 429 5.577 15.170 11.803 11 H THR 430 HN THR 430 3.684 15.891 7.654 12 HA THR 430 HA THR 430 0.860 15.388 8.236 13 HB THR 430 HB THR 430 1.050 17.788 8.437 14 HG1 THR 430 HG1 THR 430 -0.202 16.727 6.157 15 HG21 THR 430 HG21 THR 430 3.148 18.119 7.237 16 HG22 THR 430 HG22 THR 430 1.895 19.192 6.612 17 HG23 THR 430 HG23 THR 430 2.348 17.746 5.710 18 H ALA 431 HN ALA 431 3.502 14.714 6.433 19 HA ALA 431 HA ALA 431 2.293 14.488 3.831 20 HB1 ALA 431 HB1 ALA 431 4.696 14.904 4.071 21 HB2 ALA 431 HB2 ALA 431 4.386 13.412 3.183 22 HB3 ALA 431 HB3 ALA 431 4.885 13.345 4.872 23 H VAL 432 HN VAL 432 1.951 12.456 2.728 24 HA VAL 432 HA VAL 432 0.652 10.572 4.493 25 HB VAL 432 HB VAL 432 0.835 10.485 1.478 26 HG11 VAL 432 HG11 VAL 432 0.255 8.346 2.481 27 HG12 VAL 432 HG12 VAL 432 -1.139 9.039 1.651 28 HG13 VAL 432 HG13 VAL 432 -1.033 9.114 3.410 29 HG21 VAL 432 HG21 VAL 432 -1.410 11.483 1.490 30 HG22 VAL 432 HG22 VAL 432 -0.210 12.563 2.201 31 HG23 VAL 432 HG23 VAL 432 -1.313 11.664 3.242 32 H SER 433 HN SER 433 2.057 9.291 5.509 33 HA SER 433 HA SER 433 3.652 7.479 3.827 34 HB2 SER 433 HB2 SER 433 5.111 9.175 4.948 35 HB3 SER 433 HB1 SER 433 4.522 8.609 6.508 36 HG SER 433 HG SER 433 5.349 6.507 5.885 37 H GLU 434 HN GLU 434 0.996 7.401 5.018 38 HA GLU 434 HA GLU 434 1.062 5.877 7.439 39 HB2 GLU 434 HB2 GLU 434 -1.260 6.388 5.577 40 HB3 GLU 434 HB1 GLU 434 -1.352 5.886 7.259 41 HG2 GLU 434 HG2 GLU 434 -0.211 8.503 6.310 42 HG3 GLU 434 HG1 GLU 434 -1.852 8.275 6.912 43 H TRP 435 HN TRP 435 1.983 4.847 4.548 44 HA TRP 435 HA TRP 435 0.503 2.310 4.730 45 HB2 TRP 435 HB2 TRP 435 1.916 3.355 2.275 46 HB3 TRP 435 HB1 TRP 435 0.940 1.896 2.427 47 HD1 TRP 435 HD1 TRP 435 0.130 5.653 3.198 48 HE1 TRP 435 HE1 TRP 435 -2.152 6.166 2.081 49 HE3 TRP 435 HE3 TRP 435 -0.714 1.107 1.045 50 HZ2 TRP 435 HZ2 TRP 435 -4.045 4.785 0.492 51 HZ3 TRP 435 HZ3 TRP 435 -2.783 0.779 -0.261 52 HH2 TRP 435 HH2 TRP 435 -4.408 2.582 -0.534 53 H THR 436 HN THR 436 1.564 0.394 4.557 54 HA THR 436 HA THR 436 4.484 0.433 4.262 55 HB THR 436 HB THR 436 3.040 -1.327 6.262 56 HG1 THR 436 HG1 THR 436 4.685 0.460 7.412 57 HG21 THR 436 HG21 THR 436 5.302 -1.761 7.106 58 HG22 THR 436 HG22 THR 436 5.973 -0.723 5.848 59 HG23 THR 436 HG23 THR 436 5.155 -2.224 5.410 60 H GLU 437 HN GLU 437 5.014 -0.884 2.591 61 HA GLU 437 HA GLU 437 3.001 -2.744 1.631 62 HB2 GLU 437 HB2 GLU 437 4.618 -3.095 -0.293 63 HB3 GLU 437 HB1 GLU 437 3.872 -1.504 -0.152 64 HG2 GLU 437 HG2 GLU 437 5.796 -0.501 0.508 65 HG3 GLU 437 HG1 GLU 437 6.531 -1.997 1.088 66 H TYR 438 HN TYR 438 3.519 -4.863 1.004 67 HA TYR 438 HA TYR 438 5.502 -6.183 2.688 68 HB2 TYR 438 HB2 TYR 438 2.504 -6.650 2.857 69 HB3 TYR 438 HB1 TYR 438 3.697 -7.785 3.474 70 HD1 TYR 438 HD1 TYR 438 5.111 -7.155 5.413 71 HD2 TYR 438 HD2 TYR 438 1.920 -4.678 4.077 72 HE1 TYR 438 HE1 TYR 438 5.146 -5.962 7.563 73 HE2 TYR 438 HE2 TYR 438 1.949 -3.476 6.223 74 HH TYR 438 HH TYR 438 2.672 -3.701 8.464 75 H LYS 439 HN LYS 439 5.850 -8.402 1.814 76 HA LYS 439 HA LYS 439 4.753 -8.444 -0.904 77 HB2 LYS 439 HB2 LYS 439 7.270 -7.821 -0.524 78 HB3 LYS 439 HB1 LYS 439 7.452 -9.575 -0.420 79 HG2 LYS 439 HG2 LYS 439 7.729 -9.152 -2.696 80 HG3 LYS 439 HG1 LYS 439 6.026 -9.611 -2.541 81 HD2 LYS 439 HD2 LYS 439 6.150 -7.730 -3.946 82 HD3 LYS 439 HD1 LYS 439 5.325 -7.355 -2.480 83 HE2 LYS 439 HE2 LYS 439 8.288 -6.798 -2.715 84 HE3 LYS 439 HE1 LYS 439 7.130 -5.690 -3.442 85 HZ1 LYS 439 HZ1 LYS 439 7.873 -5.091 -1.157 86 HZ2 LYS 439 HZ2 LYS 439 7.068 -6.463 -0.579 87 HZ3 LYS 439 HZ3 LYS 439 6.192 -5.224 -1.328 88 H THR 440 HN THR 440 4.041 -10.240 -1.729 89 HA THR 440 HA THR 440 4.112 -12.679 -0.124 90 HB THR 440 HB THR 440 2.724 -13.600 -2.049 91 HG1 THR 440 HG1 THR 440 2.797 -12.350 -3.756 92 HG21 THR 440 HG21 THR 440 1.620 -11.183 -0.616 93 HG22 THR 440 HG22 THR 440 1.730 -12.808 0.061 94 HG23 THR 440 HG23 THR 440 0.681 -12.497 -1.324 95 H ALA 441 HN ALA 441 4.949 -14.660 -0.943 96 HA ALA 441 HA ALA 441 7.547 -14.495 -1.863 97 HB1 ALA 441 HB1 ALA 441 5.723 -16.882 -2.058 98 HB2 ALA 441 HB2 ALA 441 6.635 -16.399 -0.629 99 HB3 ALA 441 HB3 ALA 441 7.486 -16.906 -2.088 100 H ASP 442 HN ASP 442 4.617 -14.764 -3.766 101 HA ASP 442 HA ASP 442 5.915 -15.662 -6.149 102 HB2 ASP 442 HB2 ASP 442 3.822 -15.453 -7.221 103 HB3 ASP 442 HB1 ASP 442 3.455 -15.943 -5.572 104 H GLY 443 HN GLY 443 6.120 -12.748 -4.615 105 HA2 GLY 443 HA2 GLY 443 7.512 -11.022 -5.383 106 HA3 GLY 443 HA1 GLY 443 7.270 -11.582 -7.028 107 H LYS 444 HN LYS 444 4.825 -10.767 -4.620 108 HA LYS 444 HA LYS 444 3.958 -8.492 -6.316 109 HB2 LYS 444 HB2 LYS 444 2.463 -10.333 -4.568 110 HB3 LYS 444 HB1 LYS 444 1.809 -8.816 -5.124 111 HG2 LYS 444 HG2 LYS 444 2.345 -9.749 -7.508 112 HG3 LYS 444 HG1 LYS 444 2.343 -11.313 -6.689 113 HD2 LYS 444 HD2 LYS 444 0.062 -9.575 -6.046 114 HD3 LYS 444 HD1 LYS 444 0.137 -10.102 -7.726 115 HE2 LYS 444 HE2 LYS 444 -1.204 -11.590 -6.256 116 HE3 LYS 444 HE1 LYS 444 0.128 -12.404 -7.072 117 HZ1 LYS 444 HZ1 LYS 444 0.424 -11.365 -4.327 118 HZ2 LYS 444 HZ2 LYS 444 1.334 -12.562 -5.113 119 HZ3 LYS 444 HZ3 LYS 444 -0.256 -12.887 -4.618 120 H THR 445 HN THR 445 3.887 -6.568 -5.277 121 HA THR 445 HA THR 445 4.209 -6.725 -2.375 122 HB THR 445 HB THR 445 5.690 -5.163 -3.689 123 HG1 THR 445 HG1 THR 445 5.522 -3.518 -2.160 124 HG21 THR 445 HG21 THR 445 3.151 -3.588 -4.151 125 HG22 THR 445 HG22 THR 445 4.101 -4.406 -5.390 126 HG23 THR 445 HG23 THR 445 4.787 -3.036 -4.516 127 H TYR 446 HN TYR 446 2.651 -5.675 -1.021 128 HA TYR 446 HA TYR 446 0.369 -4.426 -2.335 129 HB2 TYR 446 HB2 TYR 446 -1.139 -5.512 -0.599 130 HB3 TYR 446 HB1 TYR 446 -0.560 -6.542 -1.898 131 HD1 TYR 446 HD1 TYR 446 1.720 -7.856 -1.279 132 HD2 TYR 446 HD2 TYR 446 -1.120 -6.355 1.521 133 HE1 TYR 446 HE1 TYR 446 2.450 -9.528 0.377 134 HE2 TYR 446 HE2 TYR 446 -0.373 -7.997 3.181 135 HH TYR 446 HH TYR 446 0.712 -10.199 3.212 136 H TYR 447 HN TYR 447 -0.187 -2.561 -1.474 137 HA TYR 447 HA TYR 447 1.505 -1.617 0.694 138 HB2 TYR 447 HB2 TYR 447 -0.424 -0.002 -0.984 139 HB3 TYR 447 HB1 TYR 447 0.889 0.603 0.012 140 HD1 TYR 447 HD2 TYR 447 3.220 0.383 -0.728 141 HD2 TYR 447 HD1 TYR 447 -0.009 -0.873 -3.193 142 HE1 TYR 447 HE2 TYR 447 4.728 0.331 -2.668 143 HE2 TYR 447 HE1 TYR 447 1.489 -0.926 -5.140 144 HH TYR 447 HH TYR 447 4.911 -0.655 -4.833 145 H TYR 448 HN TYR 448 0.808 -1.670 2.669 146 HA TYR 448 HA TYR 448 -2.037 -1.959 3.206 147 HB2 TYR 448 HB2 TYR 448 -0.666 -3.590 4.264 148 HB3 TYR 448 HB1 TYR 448 0.476 -2.381 4.823 149 HD1 TYR 448 HD1 TYR 448 -0.448 -0.648 6.522 150 HD2 TYR 448 HD2 TYR 448 -2.279 -4.401 5.705 151 HE1 TYR 448 HE1 TYR 448 -1.566 -0.594 8.727 152 HE2 TYR 448 HE2 TYR 448 -3.408 -4.346 7.886 153 HH TYR 448 HH TYR 448 -3.132 -3.312 10.067 154 H ASN 449 HN ASN 449 -3.186 -0.213 3.641 155 HA ASN 449 HA ASN 449 -1.896 2.208 4.619 156 HB2 ASN 449 HB2 ASN 449 -3.482 2.516 2.829 157 HB3 ASN 449 HB1 ASN 449 -4.719 1.621 3.704 158 HD21 ASN 449 HD21 ASN 449 -2.989 4.630 3.454 159 HD22 ASN 449 HD22 ASN 449 -4.053 5.541 4.471 160 H ASN 450 HN ASN 450 -1.684 2.539 6.712 161 HA ASN 450 HA ASN 450 -2.933 0.857 8.655 162 HB2 ASN 450 HB2 ASN 450 -1.185 3.310 8.926 163 HB3 ASN 450 HB1 ASN 450 -1.772 2.389 10.305 164 HD21 ASN 450 HD21 ASN 450 0.383 2.418 7.579 165 HD22 ASN 450 HD22 ASN 450 1.319 1.043 8.056 166 H ARG 451 HN ARG 451 -4.152 3.464 7.043 167 HA ARG 451 HA ARG 451 -5.417 4.746 9.321 168 HB2 ARG 451 HB2 ARG 451 -4.464 6.094 7.490 169 HB3 ARG 451 HB1 ARG 451 -5.607 5.370 6.372 170 HG2 ARG 451 HG2 ARG 451 -7.452 6.353 7.714 171 HG3 ARG 451 HG1 ARG 451 -6.234 7.183 8.688 172 HD2 ARG 451 HD2 ARG 451 -7.053 8.679 6.973 173 HD3 ARG 451 HD1 ARG 451 -5.372 8.259 6.641 174 HE ARG 451 HE ARG 451 -7.673 7.016 5.255 175 HH11 ARG 451 HH11 ARG 451 -4.405 8.299 5.237 176 HH12 ARG 451 HH12 ARG 451 -4.167 8.018 3.530 177 HH21 ARG 451 HH21 ARG 451 -7.364 6.664 3.015 178 HH22 ARG 451 HH22 ARG 451 -5.845 7.108 2.271 179 H THR 452 HN THR 452 -6.251 2.513 6.750 180 HA THR 452 HA THR 452 -8.922 2.307 7.946 181 HB THR 452 HB THR 452 -9.185 3.640 5.911 182 HG1 THR 452 HG1 THR 452 -10.162 0.970 5.798 183 HG21 THR 452 HG21 THR 452 -7.965 1.285 4.470 184 HG22 THR 452 HG22 THR 452 -7.229 2.877 4.673 185 HG23 THR 452 HG23 THR 452 -8.692 2.697 3.703 186 H LEU 453 HN LEU 453 -6.155 0.855 7.594 187 HA LEU 453 HA LEU 453 -5.412 -1.279 7.786 188 HB2 LEU 453 HB2 LEU 453 -8.329 -2.027 8.028 189 HB3 LEU 453 HB1 LEU 453 -6.958 -3.003 8.517 190 HG LEU 453 HG LEU 453 -7.783 -0.384 9.775 191 HD11 LEU 453 HD11 LEU 453 -8.399 -1.755 11.698 192 HD12 LEU 453 HD12 LEU 453 -7.999 -3.214 10.791 193 HD13 LEU 453 HD13 LEU 453 -9.338 -2.191 10.270 194 HD21 LEU 453 HD21 LEU 453 -5.617 -2.333 10.552 195 HD22 LEU 453 HD22 LEU 453 -6.098 -0.902 11.464 196 HD23 LEU 453 HD23 LEU 453 -5.370 -0.725 9.868 197 H GLU 454 HN GLU 454 -6.269 -0.123 5.158 198 HA GLU 454 HA GLU 454 -7.273 -2.481 3.761 199 HB2 GLU 454 HB2 GLU 454 -7.749 0.309 3.484 200 HB3 GLU 454 HB1 GLU 454 -7.044 -0.279 1.985 201 HG2 GLU 454 HG2 GLU 454 -9.458 -1.465 3.337 202 HG3 GLU 454 HG1 GLU 454 -9.505 -0.328 1.990 203 H SER 455 HN SER 455 -5.963 -3.730 2.605 204 HA SER 455 HA SER 455 -3.342 -2.637 1.817 205 HB2 SER 455 HB2 SER 455 -4.105 -5.551 2.069 206 HB3 SER 455 HB1 SER 455 -2.487 -4.874 1.899 207 HG SER 455 HG SER 455 -4.139 -4.186 4.076 208 H ASP 456 HN ASP 456 -3.112 -2.209 -0.297 209 HA ASP 456 HA ASP 456 -4.562 -3.907 -2.219 210 HB2 ASP 456 HB2 ASP 456 -5.659 -1.624 -1.823 211 HB3 ASP 456 HB1 ASP 456 -4.247 -0.933 -2.618 212 H TRP 457 HN TRP 457 -3.488 -4.301 -4.150 213 HA TRP 457 HA TRP 457 -0.636 -4.201 -3.963 214 HB2 TRP 457 HB2 TRP 457 -2.016 -4.945 -6.511 215 HB3 TRP 457 HB1 TRP 457 -0.595 -5.662 -5.761 216 HD1 TRP 457 HD1 TRP 457 -4.414 -5.722 -5.607 217 HE1 TRP 457 HE1 TRP 457 -5.167 -7.873 -4.409 218 HE3 TRP 457 HE3 TRP 457 0.157 -7.437 -4.095 219 HZ2 TRP 457 HZ2 TRP 457 -3.969 -10.016 -3.006 220 HZ3 TRP 457 HZ3 TRP 457 0.268 -9.546 -2.830 221 HH2 TRP 457 HH2 TRP 457 -1.753 -10.807 -2.298 222 H GLU 458 HN GLU 458 -3.009 -2.145 -5.283 223 HA GLU 458 HA GLU 458 -1.060 -0.900 -7.091 224 HB2 GLU 458 HB2 GLU 458 -4.056 -0.966 -7.055 225 HB3 GLU 458 HB1 GLU 458 -3.206 0.313 -7.904 226 HG2 GLU 458 HG2 GLU 458 -2.964 -2.638 -8.416 227 HG3 GLU 458 HG1 GLU 458 -3.795 -1.456 -9.428 228 H LYS 459 HN LYS 459 -0.112 0.856 -6.444 229 HA LYS 459 HA LYS 459 -0.824 2.229 -4.071 230 HB2 LYS 459 HB2 LYS 459 0.944 3.861 -4.823 231 HB3 LYS 459 HB1 LYS 459 1.475 2.191 -4.677 232 HG2 LYS 459 HG2 LYS 459 1.534 1.893 -7.003 233 HG3 LYS 459 HG1 LYS 459 0.602 3.362 -7.298 234 HD2 LYS 459 HD2 LYS 459 2.964 3.687 -7.824 235 HD3 LYS 459 HD1 LYS 459 2.460 4.712 -6.479 236 HE2 LYS 459 HE2 LYS 459 3.398 3.020 -4.918 237 HE3 LYS 459 HE1 LYS 459 4.009 2.131 -6.315 238 HZ1 LYS 459 HZ1 LYS 459 4.725 4.922 -5.608 239 HZ2 LYS 459 HZ2 LYS 459 5.333 4.045 -6.923 240 HZ3 LYS 459 HZ3 LYS 459 5.701 3.564 -5.336 241 HA PRO 460 HA PRO 460 -3.649 5.179 -5.936 242 HB2 PRO 460 HB2 PRO 460 -4.413 6.350 -3.653 243 HB3 PRO 460 HB1 PRO 460 -4.924 4.704 -4.042 244 HG2 PRO 460 HG2 PRO 460 -2.714 5.626 -2.243 245 HG3 PRO 460 HG1 PRO 460 -3.929 4.365 -1.962 246 HD2 PRO 460 HD2 PRO 460 -1.370 3.857 -2.806 247 HD3 PRO 460 HD1 PRO 460 -2.754 2.800 -3.151 248 H GLN 461 HN GLN 461 -3.937 7.726 -5.209 249 HA GLN 461 HA GLN 461 -1.550 8.980 -6.060 250 HB2 GLN 461 HB2 GLN 461 -3.897 9.831 -6.396 251 HB3 GLN 461 HB1 GLN 461 -3.912 10.290 -4.701 252 HG2 GLN 461 HG2 GLN 461 -3.431 12.218 -6.025 253 HG3 GLN 461 HG1 GLN 461 -1.981 11.773 -5.126 254 HE21 GLN 461 HE21 GLN 461 -3.480 11.962 -8.247 255 HE22 GLN 461 HE22 GLN 461 -2.041 11.706 -9.179 256 H GLU 462 HN GLU 462 -2.505 7.865 -3.029 257 HA GLU 462 HA GLU 462 -1.194 9.766 -1.368 258 HB2 GLU 462 HB2 GLU 462 -2.120 6.939 -0.877 259 HB3 GLU 462 HB1 GLU 462 -1.351 7.918 0.363 260 HG2 GLU 462 HG2 GLU 462 -3.162 9.571 0.138 261 HG3 GLU 462 HG1 GLU 462 -3.941 8.522 -1.046 262 H LEU 463 HN LEU 463 -0.019 7.217 -3.342 263 HA LEU 463 HA LEU 463 2.619 7.444 -2.108 264 HB2 LEU 463 HB2 LEU 463 1.277 5.558 -1.032 265 HB3 LEU 463 HB1 LEU 463 1.386 4.735 -2.578 266 HG LEU 463 HG LEU 463 3.840 4.716 -2.396 267 HD11 LEU 463 HD11 LEU 463 3.368 5.943 0.318 268 HD12 LEU 463 HD12 LEU 463 4.136 6.732 -1.060 269 HD13 LEU 463 HD13 LEU 463 4.912 5.347 -0.291 270 HD21 LEU 463 HD21 LEU 463 2.407 3.586 0.005 271 HD22 LEU 463 HD22 LEU 463 3.993 3.082 -0.576 272 HD23 LEU 463 HD23 LEU 463 2.564 2.815 -1.573 273 H LYS 464 HN LYS 464 1.109 7.910 -4.776 274 HA LYS 464 HA LYS 464 2.545 6.132 -6.566 275 HB2 LYS 464 HB2 LYS 464 0.183 6.776 -7.011 276 HB3 LYS 464 HB1 LYS 464 0.710 8.439 -7.234 277 HG2 LYS 464 HG2 LYS 464 2.261 7.513 -9.042 278 HG3 LYS 464 HG1 LYS 464 1.284 6.047 -8.944 279 HD2 LYS 464 HD2 LYS 464 0.499 7.517 -10.727 280 HD3 LYS 464 HD1 LYS 464 -0.720 7.346 -9.460 281 HE2 LYS 464 HE2 LYS 464 -0.439 9.678 -10.282 282 HE3 LYS 464 HE1 LYS 464 -0.169 9.491 -8.551 283 HZ1 LYS 464 HZ1 LYS 464 2.030 9.530 -10.544 284 HZ2 LYS 464 HZ2 LYS 464 2.164 9.637 -8.854 285 HZ3 LYS 464 HZ3 LYS 464 1.478 10.915 -9.736 Start of MODEL 11 1 H1 GLY 428 HT1 GLY 428 -0.383 10.266 2.553 2 H2 GLY 428 HT2 GLY 428 -1.830 10.536 1.708 3 H3 GLY 428 HT3 GLY 428 -1.831 9.607 3.129 4 HA2 GLY 428 HA1 GLY 428 -2.666 11.954 3.348 5 HA3 GLY 428 HA2 GLY 428 -1.430 11.439 4.491 6 H ALA 429 HN ALA 429 -2.236 14.097 3.215 7 HA ALA 429 HA ALA 429 -0.030 14.924 1.630 8 HB1 ALA 429 HB1 ALA 429 -2.191 16.073 1.569 9 HB2 ALA 429 HB2 ALA 429 -0.875 17.184 1.955 10 HB3 ALA 429 HB3 ALA 429 -1.947 16.608 3.232 11 H THR 430 HN THR 430 -0.585 14.692 5.024 12 HA THR 430 HA THR 430 1.821 16.235 5.643 13 HB THR 430 HB THR 430 -0.011 14.841 7.602 14 HG1 THR 430 HG1 THR 430 -0.475 17.021 6.044 15 HG21 THR 430 HG21 THR 430 1.894 17.170 7.905 16 HG22 THR 430 HG22 THR 430 2.167 15.528 8.492 17 HG23 THR 430 HG23 THR 430 0.867 16.505 9.177 18 H ALA 431 HN ALA 431 0.763 12.977 5.258 19 HA ALA 431 HA ALA 431 3.421 11.994 5.854 20 HB1 ALA 431 HB1 ALA 431 2.334 11.923 8.050 21 HB2 ALA 431 HB2 ALA 431 2.685 10.304 7.446 22 HB3 ALA 431 HB3 ALA 431 1.039 10.934 7.375 23 H VAL 432 HN VAL 432 3.890 10.798 4.139 24 HA VAL 432 HA VAL 432 1.814 9.362 2.694 25 HB VAL 432 HB VAL 432 4.799 9.450 2.177 26 HG11 VAL 432 HG11 VAL 432 4.217 8.701 -0.081 27 HG12 VAL 432 HG12 VAL 432 2.525 8.579 0.399 28 HG13 VAL 432 HG13 VAL 432 3.728 7.526 1.141 29 HG21 VAL 432 HG21 VAL 432 3.831 11.678 2.047 30 HG22 VAL 432 HG22 VAL 432 2.578 11.087 0.954 31 HG23 VAL 432 HG23 VAL 432 4.265 11.097 0.439 32 H SER 433 HN SER 433 3.960 8.798 5.232 33 HA SER 433 HA SER 433 4.587 6.053 4.741 34 HB2 SER 433 HB2 SER 433 4.799 7.633 7.302 35 HB3 SER 433 HB1 SER 433 5.660 6.145 6.905 36 HG SER 433 HG SER 433 7.131 7.516 6.257 37 H GLU 434 HN GLU 434 1.658 7.007 5.110 38 HA GLU 434 HA GLU 434 0.648 5.767 7.448 39 HB2 GLU 434 HB2 GLU 434 -0.793 6.071 4.815 40 HB3 GLU 434 HB1 GLU 434 -1.517 5.881 6.401 41 HG2 GLU 434 HG2 GLU 434 -0.843 8.062 7.054 42 HG3 GLU 434 HG1 GLU 434 0.142 8.250 5.599 43 H TRP 435 HN TRP 435 2.016 4.468 4.648 44 HA TRP 435 HA TRP 435 0.434 2.005 4.876 45 HB2 TRP 435 HB2 TRP 435 2.009 2.922 2.468 46 HB3 TRP 435 HB1 TRP 435 0.917 1.540 2.585 47 HD1 TRP 435 HD1 TRP 435 0.445 5.364 3.279 48 HE1 TRP 435 HE1 TRP 435 -1.759 6.079 2.151 49 HE3 TRP 435 HE3 TRP 435 -0.871 0.890 1.207 50 HZ2 TRP 435 HZ2 TRP 435 -3.789 4.889 0.579 51 HZ3 TRP 435 HZ3 TRP 435 -2.961 0.756 -0.095 52 HH2 TRP 435 HH2 TRP 435 -4.386 2.716 -0.407 53 H THR 436 HN THR 436 1.388 0.089 4.975 54 HA THR 436 HA THR 436 4.325 -0.042 4.955 55 HB THR 436 HB THR 436 2.562 -1.794 6.676 56 HG1 THR 436 HG1 THR 436 4.037 0.250 7.885 57 HG21 THR 436 HG21 THR 436 5.504 -1.113 6.787 58 HG22 THR 436 HG22 THR 436 4.813 -2.626 6.200 59 HG23 THR 436 HG23 THR 436 4.653 -2.184 7.900 60 H GLU 437 HN GLU 437 4.814 -1.135 3.138 61 HA GLU 437 HA GLU 437 2.852 -2.986 2.062 62 HB2 GLU 437 HB2 GLU 437 4.668 -3.111 0.157 63 HB3 GLU 437 HB1 GLU 437 3.493 -1.796 0.256 64 HG2 GLU 437 HG2 GLU 437 5.502 -0.737 -0.181 65 HG3 GLU 437 HG1 GLU 437 5.262 -0.510 1.545 66 H TYR 438 HN TYR 438 3.499 -5.035 1.187 67 HA TYR 438 HA TYR 438 5.492 -6.364 2.848 68 HB2 TYR 438 HB2 TYR 438 2.580 -7.242 2.750 69 HB3 TYR 438 HB1 TYR 438 3.881 -8.045 3.614 70 HD1 TYR 438 HD2 TYR 438 5.030 -6.608 5.499 71 HD2 TYR 438 HD1 TYR 438 1.175 -5.817 3.886 72 HE1 TYR 438 HE2 TYR 438 4.440 -5.359 7.535 73 HE2 TYR 438 HE1 TYR 438 0.573 -4.571 5.916 74 HH TYR 438 HH TYR 438 2.883 -3.670 8.281 75 H LYS 439 HN LYS 439 6.049 -8.393 1.737 76 HA LYS 439 HA LYS 439 4.845 -8.318 -0.927 77 HB2 LYS 439 HB2 LYS 439 7.427 -7.983 -0.554 78 HB3 LYS 439 HB1 LYS 439 7.409 -9.751 -0.521 79 HG2 LYS 439 HG2 LYS 439 7.700 -9.232 -2.799 80 HG3 LYS 439 HG1 LYS 439 5.967 -9.554 -2.619 81 HD2 LYS 439 HD2 LYS 439 6.310 -7.594 -3.922 82 HD3 LYS 439 HD1 LYS 439 5.408 -7.327 -2.481 83 HE2 LYS 439 HE2 LYS 439 7.044 -5.536 -2.769 84 HE3 LYS 439 HE1 LYS 439 7.526 -6.512 -1.381 85 HZ1 LYS 439 HZ1 LYS 439 8.666 -6.614 -4.124 86 HZ2 LYS 439 HZ2 LYS 439 9.067 -7.706 -2.895 87 HZ3 LYS 439 HZ3 LYS 439 9.444 -6.062 -2.725 88 H THR 440 HN THR 440 4.133 -10.089 -1.894 89 HA THR 440 HA THR 440 3.886 -12.496 -0.251 90 HB THR 440 HB THR 440 2.678 -13.407 -2.276 91 HG1 THR 440 HG1 THR 440 2.811 -12.301 -4.062 92 HG21 THR 440 HG21 THR 440 1.445 -12.418 -0.417 93 HG22 THR 440 HG22 THR 440 0.669 -12.033 -1.953 94 HG23 THR 440 HG23 THR 440 1.640 -10.814 -1.127 95 H ALA 441 HN ALA 441 4.727 -14.532 -0.880 96 HA ALA 441 HA ALA 441 7.410 -14.530 -1.553 97 HB1 ALA 441 HB1 ALA 441 6.289 -16.343 -0.350 98 HB2 ALA 441 HB2 ALA 441 7.241 -16.945 -1.708 99 HB3 ALA 441 HB3 ALA 441 5.486 -16.830 -1.842 100 H ASP 442 HN ASP 442 4.642 -14.741 -3.645 101 HA ASP 442 HA ASP 442 6.089 -15.646 -5.944 102 HB2 ASP 442 HB2 ASP 442 3.813 -14.760 -7.034 103 HB3 ASP 442 HB1 ASP 442 3.925 -16.300 -6.189 104 H GLY 443 HN GLY 443 6.312 -12.771 -4.439 105 HA2 GLY 443 HA2 GLY 443 7.600 -10.973 -5.168 106 HA3 GLY 443 HA1 GLY 443 7.524 -11.618 -6.802 107 H LYS 444 HN LYS 444 5.373 -10.232 -4.369 108 HA LYS 444 HA LYS 444 4.349 -8.280 -6.296 109 HB2 LYS 444 HB2 LYS 444 2.830 -10.356 -4.879 110 HB3 LYS 444 HB1 LYS 444 2.088 -8.845 -5.336 111 HG2 LYS 444 HG2 LYS 444 1.934 -9.400 -7.526 112 HG3 LYS 444 HG1 LYS 444 3.505 -10.200 -7.528 113 HD2 LYS 444 HD2 LYS 444 1.642 -11.747 -7.982 114 HD3 LYS 444 HD1 LYS 444 2.546 -12.173 -6.529 115 HE2 LYS 444 HE2 LYS 444 0.788 -10.925 -5.219 116 HE3 LYS 444 HE1 LYS 444 -0.151 -10.853 -6.711 117 HZ1 LYS 444 HZ1 LYS 444 -0.793 -12.740 -5.340 118 HZ2 LYS 444 HZ2 LYS 444 0.798 -13.333 -5.391 119 HZ3 LYS 444 HZ3 LYS 444 -0.125 -13.262 -6.811 120 H THR 445 HN THR 445 4.126 -6.425 -5.267 121 HA THR 445 HA THR 445 4.387 -6.519 -2.349 122 HB THR 445 HB THR 445 4.024 -3.998 -4.062 123 HG1 THR 445 HG1 THR 445 5.628 -5.268 -5.114 124 HG21 THR 445 HG21 THR 445 5.634 -3.071 -2.420 125 HG22 THR 445 HG22 THR 445 5.575 -4.615 -1.563 126 HG23 THR 445 HG23 THR 445 4.115 -3.632 -1.722 127 H TYR 446 HN TYR 446 2.698 -5.680 -1.018 128 HA TYR 446 HA TYR 446 0.436 -4.421 -2.353 129 HB2 TYR 446 HB2 TYR 446 -1.115 -5.598 -0.727 130 HB3 TYR 446 HB1 TYR 446 -0.471 -6.560 -2.045 131 HD1 TYR 446 HD2 TYR 446 1.907 -7.770 -1.330 132 HD2 TYR 446 HD1 TYR 446 -1.268 -6.624 1.292 133 HE1 TYR 446 HE2 TYR 446 2.584 -9.511 0.281 134 HE2 TYR 446 HE1 TYR 446 -0.572 -8.341 2.904 135 HH TYR 446 HH TYR 446 2.383 -9.980 2.699 136 H TYR 447 HN TYR 447 -0.188 -2.621 -1.467 137 HA TYR 447 HA TYR 447 1.407 -1.688 0.780 138 HB2 TYR 447 HB2 TYR 447 -0.480 -0.111 -0.984 139 HB3 TYR 447 HB1 TYR 447 0.761 0.533 0.084 140 HD1 TYR 447 HD2 TYR 447 3.145 0.330 -0.524 141 HD2 TYR 447 HD1 TYR 447 0.066 -0.942 -3.168 142 HE1 TYR 447 HE2 TYR 447 4.759 0.295 -2.379 143 HE2 TYR 447 HE1 TYR 447 1.669 -0.979 -5.029 144 HH TYR 447 HH TYR 447 3.781 -0.043 -5.658 145 H TYR 448 HN TYR 448 0.621 -1.596 2.744 146 HA TYR 448 HA TYR 448 -2.270 -1.915 3.118 147 HB2 TYR 448 HB2 TYR 448 -1.142 -3.736 4.080 148 HB3 TYR 448 HB1 TYR 448 0.155 -2.734 4.699 149 HD1 TYR 448 HD2 TYR 448 -0.426 -1.127 6.618 150 HD2 TYR 448 HD1 TYR 448 -2.899 -4.383 5.444 151 HE1 TYR 448 HE2 TYR 448 -1.487 -1.132 8.851 152 HE2 TYR 448 HE1 TYR 448 -3.962 -4.396 7.658 153 HH TYR 448 HH TYR 448 -3.515 -3.705 9.904 154 H ASN 449 HN ASN 449 -3.339 -0.154 3.728 155 HA ASN 449 HA ASN 449 -1.868 2.131 4.773 156 HB2 ASN 449 HB2 ASN 449 -3.459 2.583 3.006 157 HB3 ASN 449 HB1 ASN 449 -4.748 1.796 3.912 158 HD21 ASN 449 HD21 ASN 449 -2.780 4.637 3.608 159 HD22 ASN 449 HD22 ASN 449 -3.699 5.626 4.689 160 H ASN 450 HN ASN 450 -1.735 2.579 6.848 161 HA ASN 450 HA ASN 450 -2.959 0.805 8.745 162 HB2 ASN 450 HB2 ASN 450 -1.035 3.108 9.018 163 HB3 ASN 450 HB1 ASN 450 -1.654 2.227 10.408 164 HD21 ASN 450 HD21 ASN 450 0.412 2.101 7.619 165 HD22 ASN 450 HD22 ASN 450 1.247 0.646 8.054 166 H ARG 451 HN ARG 451 -4.259 3.509 7.330 167 HA ARG 451 HA ARG 451 -5.436 4.432 9.857 168 HB2 ARG 451 HB2 ARG 451 -5.760 6.526 8.968 169 HB3 ARG 451 HB1 ARG 451 -4.307 6.030 8.117 170 HG2 ARG 451 HG2 ARG 451 -5.712 5.375 6.191 171 HG3 ARG 451 HG1 ARG 451 -7.120 6.000 7.049 172 HD2 ARG 451 HD2 ARG 451 -5.976 8.216 7.161 173 HD3 ARG 451 HD1 ARG 451 -4.704 7.555 6.133 174 HE ARG 451 HE ARG 451 -7.490 7.493 5.201 175 HH11 ARG 451 HH11 ARG 451 -4.220 8.761 4.877 176 HH12 ARG 451 HH12 ARG 451 -4.522 9.423 3.296 177 HH21 ARG 451 HH21 ARG 451 -7.864 8.388 3.143 178 HH22 ARG 451 HH22 ARG 451 -6.578 9.211 2.303 179 H THR 452 HN THR 452 -6.180 2.506 7.166 180 HA THR 452 HA THR 452 -8.933 2.366 8.137 181 HB THR 452 HB THR 452 -9.072 3.793 6.166 182 HG1 THR 452 HG1 THR 452 -10.365 2.255 4.783 183 HG21 THR 452 HG21 THR 452 -8.408 2.999 3.947 184 HG22 THR 452 HG22 THR 452 -7.726 1.545 4.676 185 HG23 THR 452 HG23 THR 452 -7.026 3.123 5.037 186 H LEU 453 HN LEU 453 -6.137 0.918 7.802 187 HA LEU 453 HA LEU 453 -5.358 -1.207 7.826 188 HB2 LEU 453 HB2 LEU 453 -8.242 -2.033 8.154 189 HB3 LEU 453 HB1 LEU 453 -6.820 -2.953 8.608 190 HG LEU 453 HG LEU 453 -7.811 -0.414 9.908 191 HD11 LEU 453 HD11 LEU 453 -7.609 -3.243 10.924 192 HD12 LEU 453 HD12 LEU 453 -9.093 -2.393 10.493 193 HD13 LEU 453 HD13 LEU 453 -8.127 -1.843 11.863 194 HD21 LEU 453 HD21 LEU 453 -5.364 -2.060 10.545 195 HD22 LEU 453 HD22 LEU 453 -5.978 -0.711 11.501 196 HD23 LEU 453 HD23 LEU 453 -5.377 -0.431 9.866 197 H GLU 454 HN GLU 454 -6.338 0.038 5.290 198 HA GLU 454 HA GLU 454 -7.473 -2.228 3.863 199 HB2 GLU 454 HB2 GLU 454 -8.610 -0.043 3.727 200 HB3 GLU 454 HB1 GLU 454 -7.178 0.632 2.964 201 HG2 GLU 454 HG2 GLU 454 -7.479 -0.698 1.026 202 HG3 GLU 454 HG1 GLU 454 -8.730 -1.664 1.805 203 H SER 455 HN SER 455 -6.336 -3.421 2.459 204 HA SER 455 HA SER 455 -3.641 -2.473 1.738 205 HB2 SER 455 HB2 SER 455 -4.597 -5.338 1.830 206 HB3 SER 455 HB1 SER 455 -2.933 -4.760 1.737 207 HG SER 455 HG SER 455 -4.183 -3.693 3.868 208 H ASP 456 HN ASP 456 -3.090 -2.329 -0.379 209 HA ASP 456 HA ASP 456 -4.647 -3.770 -2.386 210 HB2 ASP 456 HB2 ASP 456 -5.656 -1.435 -1.972 211 HB3 ASP 456 HB1 ASP 456 -4.194 -0.808 -2.729 212 H TRP 457 HN TRP 457 -3.495 -4.136 -4.309 213 HA TRP 457 HA TRP 457 -0.635 -4.102 -3.974 214 HB2 TRP 457 HB2 TRP 457 -1.943 -4.875 -6.556 215 HB3 TRP 457 HB1 TRP 457 -0.526 -5.565 -5.775 216 HD1 TRP 457 HD1 TRP 457 -4.361 -5.612 -5.572 217 HE1 TRP 457 HE1 TRP 457 -5.090 -7.808 -4.420 218 HE3 TRP 457 HE3 TRP 457 0.248 -7.410 -4.260 219 HZ2 TRP 457 HZ2 TRP 457 -3.861 -10.002 -3.134 220 HZ3 TRP 457 HZ3 TRP 457 0.382 -9.563 -3.076 221 HH2 TRP 457 HH2 TRP 457 -1.630 -10.831 -2.525 222 H GLU 458 HN GLU 458 -2.974 -2.158 -5.556 223 HA GLU 458 HA GLU 458 -1.116 -1.081 -7.509 224 HB2 GLU 458 HB2 GLU 458 -4.015 -0.497 -6.886 225 HB3 GLU 458 HB1 GLU 458 -3.106 0.304 -8.153 226 HG2 GLU 458 HG2 GLU 458 -3.608 -2.653 -8.003 227 HG3 GLU 458 HG1 GLU 458 -4.518 -1.515 -8.995 228 H LYS 459 HN LYS 459 -0.210 0.942 -7.436 229 HA LYS 459 HA LYS 459 0.129 2.114 -4.883 230 HB2 LYS 459 HB2 LYS 459 1.372 3.888 -6.022 231 HB3 LYS 459 HB1 LYS 459 1.869 2.302 -6.591 232 HG2 LYS 459 HG2 LYS 459 0.830 2.590 -8.659 233 HG3 LYS 459 HG1 LYS 459 -0.165 3.924 -8.075 234 HD2 LYS 459 HD2 LYS 459 1.618 4.755 -9.506 235 HD3 LYS 459 HD1 LYS 459 1.842 5.315 -7.849 236 HE2 LYS 459 HE2 LYS 459 3.504 3.567 -7.474 237 HE3 LYS 459 HE1 LYS 459 3.266 2.978 -9.119 238 HZ1 LYS 459 HZ1 LYS 459 4.385 5.607 -8.302 239 HZ2 LYS 459 HZ2 LYS 459 3.978 5.213 -9.897 240 HZ3 LYS 459 HZ3 LYS 459 5.195 4.347 -9.099 241 HA PRO 460 HA PRO 460 -3.596 4.558 -4.834 242 HB2 PRO 460 HB2 PRO 460 -3.050 5.853 -2.515 243 HB3 PRO 460 HB1 PRO 460 -3.610 4.176 -2.556 244 HG2 PRO 460 HG2 PRO 460 -0.820 5.235 -2.268 245 HG3 PRO 460 HG1 PRO 460 -1.619 3.933 -1.364 246 HD2 PRO 460 HD2 PRO 460 0.080 3.433 -3.397 247 HD3 PRO 460 HD1 PRO 460 -1.327 2.401 -3.068 248 H GLN 461 HN GLN 461 -4.122 6.861 -4.803 249 HA GLN 461 HA GLN 461 -2.389 8.479 -6.315 250 HB2 GLN 461 HB2 GLN 461 -4.884 8.704 -6.133 251 HB3 GLN 461 HB1 GLN 461 -4.651 9.417 -4.544 252 HG2 GLN 461 HG2 GLN 461 -3.381 11.245 -5.554 253 HG3 GLN 461 HG1 GLN 461 -3.630 10.531 -7.148 254 HE21 GLN 461 HE21 GLN 461 -4.449 13.133 -6.118 255 HE22 GLN 461 HE22 GLN 461 -6.170 13.200 -6.291 256 H GLU 462 HN GLU 462 -2.362 7.728 -3.024 257 HA GLU 462 HA GLU 462 -1.078 10.105 -2.058 258 HB2 GLU 462 HB2 GLU 462 -1.113 7.345 -0.818 259 HB3 GLU 462 HB1 GLU 462 -0.763 8.863 -0.003 260 HG2 GLU 462 HG2 GLU 462 -3.410 8.123 -1.225 261 HG3 GLU 462 HG1 GLU 462 -3.009 8.014 0.488 262 H LEU 463 HN LEU 463 -0.123 7.531 -3.963 263 HA LEU 463 HA LEU 463 2.723 7.929 -3.302 264 HB2 LEU 463 HB2 LEU 463 1.737 5.723 -2.531 265 HB3 LEU 463 HB1 LEU 463 1.466 5.337 -4.218 266 HG LEU 463 HG LEU 463 3.922 5.514 -4.605 267 HD11 LEU 463 HD11 LEU 463 5.414 5.500 -2.671 268 HD12 LEU 463 HD12 LEU 463 4.033 5.726 -1.599 269 HD13 LEU 463 HD13 LEU 463 4.475 6.990 -2.746 270 HD21 LEU 463 HD21 LEU 463 3.050 3.537 -2.500 271 HD22 LEU 463 HD22 LEU 463 4.473 3.385 -3.532 272 HD23 LEU 463 HD23 LEU 463 2.859 3.353 -4.244 273 H LYS 464 HN LYS 464 0.754 9.002 -5.348 274 HA LYS 464 HA LYS 464 1.332 7.887 -7.872 275 HB2 LYS 464 HB2 LYS 464 0.290 9.858 -8.812 276 HB3 LYS 464 HB1 LYS 464 -0.633 9.335 -7.410 277 HG2 LYS 464 HG2 LYS 464 -0.478 11.378 -6.582 278 HG3 LYS 464 HG1 LYS 464 1.273 11.185 -6.476 279 HD2 LYS 464 HD2 LYS 464 1.087 11.766 -9.071 280 HD3 LYS 464 HD1 LYS 464 -0.372 12.588 -8.510 281 HE2 LYS 464 HE2 LYS 464 1.385 14.180 -8.436 282 HE3 LYS 464 HE1 LYS 464 1.055 13.707 -6.769 283 HZ1 LYS 464 HZ1 LYS 464 3.386 13.707 -7.005 284 HZ2 LYS 464 HZ2 LYS 464 3.329 12.879 -8.480 285 HZ3 LYS 464 HZ3 LYS 464 2.939 12.068 -7.045 Start of MODEL 12 1 H1 GLY 428 HT1 GLY 428 -0.373 15.465 7.121 2 H2 GLY 428 HT2 GLY 428 0.046 17.071 7.460 3 H3 GLY 428 HT3 GLY 428 -0.907 16.709 6.103 4 HA2 GLY 428 HA1 GLY 428 -1.709 16.319 8.934 5 HA3 GLY 428 HA2 GLY 428 -2.252 17.627 7.890 6 H ALA 429 HN ALA 429 -3.695 17.187 6.193 7 HA ALA 429 HA ALA 429 -5.606 15.198 6.776 8 HB1 ALA 429 HB1 ALA 429 -6.763 15.954 4.782 9 HB2 ALA 429 HB2 ALA 429 -5.321 16.823 4.258 10 HB3 ALA 429 HB3 ALA 429 -6.176 17.332 5.714 11 H THR 430 HN THR 430 -2.891 15.270 4.650 12 HA THR 430 HA THR 430 -3.589 12.572 3.704 13 HB THR 430 HB THR 430 -3.327 14.124 1.843 14 HG1 THR 430 HG1 THR 430 -2.490 11.916 1.670 15 HG21 THR 430 HG21 THR 430 -1.178 15.203 1.369 16 HG22 THR 430 HG22 THR 430 -0.541 14.606 2.901 17 HG23 THR 430 HG23 THR 430 -1.866 15.770 2.891 18 H ALA 431 HN ALA 431 -2.033 10.933 3.824 19 HA ALA 431 HA ALA 431 0.446 11.517 5.248 20 HB1 ALA 431 HB1 ALA 431 -1.556 9.490 6.238 21 HB2 ALA 431 HB2 ALA 431 -1.171 11.026 7.014 22 HB3 ALA 431 HB3 ALA 431 0.055 9.762 6.902 23 H VAL 432 HN VAL 432 1.685 10.902 3.550 24 HA VAL 432 HA VAL 432 1.220 8.593 1.971 25 HB VAL 432 HB VAL 432 2.514 10.462 1.096 26 HG11 VAL 432 HG11 VAL 432 4.794 10.920 1.868 27 HG12 VAL 432 HG12 VAL 432 4.584 9.744 3.165 28 HG13 VAL 432 HG13 VAL 432 3.598 11.206 3.133 29 HG21 VAL 432 HG21 VAL 432 4.400 9.229 0.136 30 HG22 VAL 432 HG22 VAL 432 2.924 8.264 0.141 31 HG23 VAL 432 HG23 VAL 432 4.180 7.961 1.341 32 H SER 433 HN SER 433 2.889 9.181 4.948 33 HA SER 433 HA SER 433 4.415 6.743 4.913 34 HB2 SER 433 HB2 SER 433 3.857 8.593 7.235 35 HB3 SER 433 HB1 SER 433 5.154 7.410 7.099 36 HG SER 433 HG SER 433 6.156 9.203 6.485 37 H GLU 434 HN GLU 434 1.234 7.150 5.166 38 HA GLU 434 HA GLU 434 0.734 5.588 7.554 39 HB2 GLU 434 HB2 GLU 434 -0.733 7.497 6.793 40 HB3 GLU 434 HB1 GLU 434 -1.258 6.473 5.461 41 HG2 GLU 434 HG2 GLU 434 -2.904 6.345 7.165 42 HG3 GLU 434 HG1 GLU 434 -2.037 4.809 7.141 43 H TRP 435 HN TRP 435 1.835 4.765 4.613 44 HA TRP 435 HA TRP 435 0.394 2.203 4.726 45 HB2 TRP 435 HB2 TRP 435 1.774 3.182 2.231 46 HB3 TRP 435 HB1 TRP 435 0.677 1.818 2.444 47 HD1 TRP 435 HD1 TRP 435 0.200 5.657 3.113 48 HE1 TRP 435 HE1 TRP 435 -2.021 6.329 1.950 49 HE3 TRP 435 HE3 TRP 435 -1.041 1.134 1.098 50 HZ2 TRP 435 HZ2 TRP 435 -4.030 5.067 0.390 51 HZ3 TRP 435 HZ3 TRP 435 -3.119 0.939 -0.216 52 HH2 TRP 435 HH2 TRP 435 -4.579 2.866 -0.565 53 H THR 436 HN THR 436 1.542 0.348 4.546 54 HA THR 436 HA THR 436 4.419 0.546 4.047 55 HB THR 436 HB THR 436 3.220 -1.287 6.135 56 HG1 THR 436 HG1 THR 436 3.946 1.340 6.251 57 HG21 THR 436 HG21 THR 436 5.555 -1.661 6.775 58 HG22 THR 436 HG22 THR 436 6.088 -0.589 5.482 59 HG23 THR 436 HG23 THR 436 5.286 -2.112 5.091 60 H GLU 437 HN GLU 437 4.947 -0.773 2.356 61 HA GLU 437 HA GLU 437 2.946 -2.707 1.504 62 HB2 GLU 437 HB2 GLU 437 4.602 -3.016 -0.472 63 HB3 GLU 437 HB1 GLU 437 3.647 -1.534 -0.368 64 HG2 GLU 437 HG2 GLU 437 5.493 -0.329 0.526 65 HG3 GLU 437 HG1 GLU 437 6.475 -1.795 0.608 66 H TYR 438 HN TYR 438 3.526 -4.838 0.906 67 HA TYR 438 HA TYR 438 5.606 -6.046 2.557 68 HB2 TYR 438 HB2 TYR 438 2.636 -6.661 2.825 69 HB3 TYR 438 HB1 TYR 438 3.922 -7.638 3.520 70 HD1 TYR 438 HD2 TYR 438 5.448 -6.528 5.255 71 HD2 TYR 438 HD1 TYR 438 1.738 -4.855 4.012 72 HE1 TYR 438 HE2 TYR 438 5.398 -5.149 7.288 73 HE2 TYR 438 HE1 TYR 438 1.677 -3.470 6.045 74 HH TYR 438 HH TYR 438 2.594 -3.377 8.244 75 H LYS 439 HN LYS 439 5.985 -8.281 1.732 76 HA LYS 439 HA LYS 439 4.798 -8.411 -0.948 77 HB2 LYS 439 HB2 LYS 439 7.351 -7.899 -0.607 78 HB3 LYS 439 HB1 LYS 439 7.444 -9.657 -0.451 79 HG2 LYS 439 HG2 LYS 439 7.717 -9.308 -2.746 80 HG3 LYS 439 HG1 LYS 439 5.993 -9.675 -2.558 81 HD2 LYS 439 HD2 LYS 439 6.191 -7.816 -3.994 82 HD3 LYS 439 HD1 LYS 439 5.412 -7.401 -2.515 83 HE2 LYS 439 HE2 LYS 439 8.382 -6.988 -2.743 84 HE3 LYS 439 HE1 LYS 439 7.303 -5.851 -3.547 85 HZ1 LYS 439 HZ1 LYS 439 6.220 -5.474 -1.386 86 HZ2 LYS 439 HZ2 LYS 439 7.853 -5.031 -1.384 87 HZ3 LYS 439 HZ3 LYS 439 7.368 -6.476 -0.638 88 H THR 440 HN THR 440 4.094 -10.246 -1.756 89 HA THR 440 HA THR 440 4.041 -12.602 -0.017 90 HB THR 440 HB THR 440 2.691 -13.634 -1.862 91 HG1 THR 440 HG1 THR 440 2.867 -12.658 -3.727 92 HG21 THR 440 HG21 THR 440 0.674 -12.378 -1.429 93 HG22 THR 440 HG22 THR 440 1.613 -10.981 -0.912 94 HG23 THR 440 HG23 THR 440 1.632 -12.456 0.050 95 H ALA 441 HN ALA 441 4.866 -14.650 -0.715 96 HA ALA 441 HA ALA 441 7.522 -14.536 -1.450 97 HB1 ALA 441 HB1 ALA 441 5.702 -16.919 -1.679 98 HB2 ALA 441 HB2 ALA 441 6.507 -16.376 -0.207 99 HB3 ALA 441 HB3 ALA 441 7.462 -16.950 -1.573 100 H ASP 442 HN ASP 442 4.748 -14.812 -3.566 101 HA ASP 442 HA ASP 442 6.266 -15.849 -5.783 102 HB2 ASP 442 HB2 ASP 442 4.228 -15.810 -7.020 103 HB3 ASP 442 HB1 ASP 442 3.824 -16.332 -5.389 104 H GLY 443 HN GLY 443 6.257 -12.877 -4.416 105 HA2 GLY 443 HA2 GLY 443 7.541 -11.089 -5.241 106 HA3 GLY 443 HA1 GLY 443 7.360 -11.731 -6.864 107 H LYS 444 HN LYS 444 5.048 -10.719 -4.365 108 HA LYS 444 HA LYS 444 3.907 -8.738 -6.260 109 HB2 LYS 444 HB2 LYS 444 2.628 -10.604 -4.356 110 HB3 LYS 444 HB1 LYS 444 1.839 -9.143 -4.890 111 HG2 LYS 444 HG2 LYS 444 1.866 -9.917 -7.197 112 HG3 LYS 444 HG1 LYS 444 2.741 -11.374 -6.711 113 HD2 LYS 444 HD2 LYS 444 0.885 -12.199 -5.501 114 HD3 LYS 444 HD1 LYS 444 0.053 -10.644 -5.576 115 HE2 LYS 444 HE2 LYS 444 -0.834 -12.406 -7.123 116 HE3 LYS 444 HE1 LYS 444 -0.378 -10.887 -7.894 117 HZ1 LYS 444 HZ1 LYS 444 1.472 -13.199 -7.766 118 HZ2 LYS 444 HZ2 LYS 444 1.542 -11.838 -8.787 119 HZ3 LYS 444 HZ3 LYS 444 0.341 -13.011 -9.021 120 H THR 445 HN THR 445 4.030 -6.710 -5.350 121 HA THR 445 HA THR 445 4.272 -6.725 -2.443 122 HB THR 445 HB THR 445 5.785 -5.254 -3.881 123 HG1 THR 445 HG1 THR 445 5.432 -3.370 -2.412 124 HG21 THR 445 HG21 THR 445 4.929 -3.086 -4.643 125 HG22 THR 445 HG22 THR 445 3.294 -3.565 -4.185 126 HG23 THR 445 HG23 THR 445 4.131 -4.417 -5.482 127 H TYR 446 HN TYR 446 2.724 -5.525 -1.153 128 HA TYR 446 HA TYR 446 0.451 -4.341 -2.545 129 HB2 TYR 446 HB2 TYR 446 -1.076 -5.383 -0.779 130 HB3 TYR 446 HB1 TYR 446 -0.502 -6.431 -2.064 131 HD1 TYR 446 HD2 TYR 446 1.712 -7.794 -1.462 132 HD2 TYR 446 HD1 TYR 446 -0.992 -6.146 1.394 133 HE1 TYR 446 HE2 TYR 446 2.479 -9.422 0.213 134 HE2 TYR 446 HE1 TYR 446 -0.224 -7.775 3.069 135 HH TYR 446 HH TYR 446 0.868 -9.927 3.196 136 H TYR 447 HN TYR 447 -0.244 -2.479 -1.671 137 HA TYR 447 HA TYR 447 1.425 -1.446 0.482 138 HB2 TYR 447 HB2 TYR 447 -0.594 0.037 -1.220 139 HB3 TYR 447 HB1 TYR 447 0.607 0.749 -0.157 140 HD1 TYR 447 HD1 TYR 447 0.103 -1.011 -3.357 141 HD2 TYR 447 HD2 TYR 447 2.878 1.007 -0.844 142 HE1 TYR 447 HE1 TYR 447 1.695 -0.884 -5.229 143 HE2 TYR 447 HE2 TYR 447 4.476 1.138 -2.706 144 HH TYR 447 HH TYR 447 4.982 0.128 -4.777 145 H TYR 448 HN TYR 448 0.747 -1.499 2.467 146 HA TYR 448 HA TYR 448 -2.083 -1.971 3.001 147 HB2 TYR 448 HB2 TYR 448 -0.482 -3.531 3.962 148 HB3 TYR 448 HB1 TYR 448 0.391 -2.212 4.725 149 HD1 TYR 448 HD2 TYR 448 -0.871 -0.817 6.440 150 HD2 TYR 448 HD1 TYR 448 -2.168 -4.640 5.114 151 HE1 TYR 448 HE2 TYR 448 -2.224 -1.075 8.495 152 HE2 TYR 448 HE1 TYR 448 -3.527 -4.908 7.144 153 HH TYR 448 HH TYR 448 -3.784 -4.091 9.306 154 H ASN 449 HN ASN 449 -3.326 -0.311 3.524 155 HA ASN 449 HA ASN 449 -2.152 2.168 4.504 156 HB2 ASN 449 HB2 ASN 449 -3.815 2.346 2.742 157 HB3 ASN 449 HB1 ASN 449 -4.983 1.450 3.708 158 HD21 ASN 449 HD21 ASN 449 -3.354 4.480 3.258 159 HD22 ASN 449 HD22 ASN 449 -4.390 5.409 4.285 160 H ASN 450 HN ASN 450 -1.924 2.522 6.590 161 HA ASN 450 HA ASN 450 -3.002 0.753 8.555 162 HB2 ASN 450 HB2 ASN 450 -1.524 3.370 8.918 163 HB3 ASN 450 HB1 ASN 450 -1.833 2.185 10.180 164 HD21 ASN 450 HD21 ASN 450 0.669 3.278 9.037 165 HD22 ASN 450 HD22 ASN 450 1.597 1.891 8.566 166 H ARG 451 HN ARG 451 -4.337 3.445 7.050 167 HA ARG 451 HA ARG 451 -5.603 4.607 9.356 168 HB2 ARG 451 HB2 ARG 451 -5.463 5.204 6.477 169 HB3 ARG 451 HB1 ARG 451 -6.973 5.655 7.255 170 HG2 ARG 451 HG2 ARG 451 -5.857 7.092 8.775 171 HG3 ARG 451 HG1 ARG 451 -4.275 6.479 8.288 172 HD2 ARG 451 HD2 ARG 451 -6.165 7.885 6.414 173 HD3 ARG 451 HD1 ARG 451 -4.906 8.715 7.330 174 HE ARG 451 HE ARG 451 -3.492 6.829 6.109 175 HH11 ARG 451 HH11 ARG 451 -6.018 8.856 4.800 176 HH12 ARG 451 HH12 ARG 451 -5.253 9.022 3.245 177 HH21 ARG 451 HH21 ARG 451 -2.478 7.042 4.092 178 HH22 ARG 451 HH22 ARG 451 -3.218 7.994 2.834 179 H THR 452 HN THR 452 -6.395 2.105 7.102 180 HA THR 452 HA THR 452 -8.979 1.838 8.433 181 HB THR 452 HB THR 452 -9.485 3.103 6.433 182 HG1 THR 452 HG1 THR 452 -10.548 1.002 5.286 183 HG21 THR 452 HG21 THR 452 -8.097 0.905 4.898 184 HG22 THR 452 HG22 THR 452 -7.520 2.561 5.108 185 HG23 THR 452 HG23 THR 452 -8.994 2.249 4.187 186 H LEU 453 HN LEU 453 -6.150 0.566 7.863 187 HA LEU 453 HA LEU 453 -5.241 -1.502 8.022 188 HB2 LEU 453 HB2 LEU 453 -8.042 -2.480 8.585 189 HB3 LEU 453 HB1 LEU 453 -6.538 -3.275 9.012 190 HG LEU 453 HG LEU 453 -7.570 -0.687 10.181 191 HD11 LEU 453 HD11 LEU 453 -7.794 -1.997 12.240 192 HD12 LEU 453 HD12 LEU 453 -7.323 -3.449 11.358 193 HD13 LEU 453 HD13 LEU 453 -8.822 -2.615 10.948 194 HD21 LEU 453 HD21 LEU 453 -5.686 -0.872 11.737 195 HD22 LEU 453 HD22 LEU 453 -5.139 -0.688 10.070 196 HD23 LEU 453 HD23 LEU 453 -5.091 -2.272 10.844 197 H GLU 454 HN GLU 454 -6.510 -0.467 5.503 198 HA GLU 454 HA GLU 454 -7.187 -2.998 4.218 199 HB2 GLU 454 HB2 GLU 454 -7.903 -0.169 3.520 200 HB3 GLU 454 HB1 GLU 454 -8.092 -1.486 2.367 201 HG2 GLU 454 HG2 GLU 454 -9.586 -2.634 3.923 202 HG3 GLU 454 HG1 GLU 454 -9.397 -1.315 5.075 203 H SER 455 HN SER 455 -5.973 -3.827 2.643 204 HA SER 455 HA SER 455 -3.670 -2.221 1.746 205 HB2 SER 455 HB2 SER 455 -3.062 -4.037 3.353 206 HB3 SER 455 HB1 SER 455 -3.719 -5.213 2.217 207 HG SER 455 HG SER 455 -1.920 -3.465 1.099 208 H ASP 456 HN ASP 456 -3.599 -1.901 -0.376 209 HA ASP 456 HA ASP 456 -4.692 -3.981 -2.131 210 HB2 ASP 456 HB2 ASP 456 -5.723 -2.379 -3.583 211 HB3 ASP 456 HB1 ASP 456 -6.284 -2.050 -1.950 212 H TRP 457 HN TRP 457 -3.720 -4.088 -4.211 213 HA TRP 457 HA TRP 457 -0.870 -3.797 -3.972 214 HB2 TRP 457 HB2 TRP 457 -2.194 -4.695 -6.504 215 HB3 TRP 457 HB1 TRP 457 -0.718 -5.284 -5.751 216 HD1 TRP 457 HD1 TRP 457 -4.539 -5.481 -5.304 217 HE1 TRP 457 HE1 TRP 457 -5.103 -7.711 -4.136 218 HE3 TRP 457 HE3 TRP 457 0.208 -7.165 -4.425 219 HZ2 TRP 457 HZ2 TRP 457 -3.714 -9.895 -3.011 220 HZ3 TRP 457 HZ3 TRP 457 0.502 -9.335 -3.305 221 HH2 TRP 457 HH2 TRP 457 -1.420 -10.670 -2.613 222 H GLU 458 HN GLU 458 -3.138 -1.639 -4.867 223 HA GLU 458 HA GLU 458 -1.834 -0.705 -7.311 224 HB2 GLU 458 HB2 GLU 458 -4.394 0.244 -6.014 225 HB3 GLU 458 HB1 GLU 458 -3.828 0.627 -7.630 226 HG2 GLU 458 HG2 GLU 458 -4.523 -2.144 -6.706 227 HG3 GLU 458 HG1 GLU 458 -5.632 -1.067 -7.555 228 H LYS 459 HN LYS 459 -0.623 1.103 -7.365 229 HA LYS 459 HA LYS 459 0.220 2.388 -5.006 230 HB2 LYS 459 HB2 LYS 459 0.430 3.347 -7.869 231 HB3 LYS 459 HB1 LYS 459 1.322 4.012 -6.508 232 HG2 LYS 459 HG2 LYS 459 2.499 1.934 -6.203 233 HG3 LYS 459 HG1 LYS 459 1.531 1.165 -7.461 234 HD2 LYS 459 HD2 LYS 459 3.056 1.803 -8.948 235 HD3 LYS 459 HD1 LYS 459 2.616 3.479 -8.619 236 HE2 LYS 459 HE2 LYS 459 4.630 1.937 -6.999 237 HE3 LYS 459 HE1 LYS 459 5.061 2.928 -8.390 238 HZ1 LYS 459 HZ1 LYS 459 5.319 4.070 -6.238 239 HZ2 LYS 459 HZ2 LYS 459 3.652 3.955 -5.984 240 HZ3 LYS 459 HZ3 LYS 459 4.247 4.870 -7.279 241 HA PRO 460 HA PRO 460 -3.385 5.011 -4.494 242 HB2 PRO 460 HB2 PRO 460 -2.476 6.255 -2.248 243 HB3 PRO 460 HB1 PRO 460 -3.182 4.635 -2.233 244 HG2 PRO 460 HG2 PRO 460 -0.301 5.446 -2.226 245 HG3 PRO 460 HG1 PRO 460 -1.113 4.188 -1.274 246 HD2 PRO 460 HD2 PRO 460 0.333 3.613 -3.475 247 HD3 PRO 460 HD1 PRO 460 -1.111 2.684 -3.025 248 H GLN 461 HN GLN 461 -3.753 7.378 -4.285 249 HA GLN 461 HA GLN 461 -2.152 8.779 -6.177 250 HB2 GLN 461 HB2 GLN 461 -4.619 9.107 -5.783 251 HB3 GLN 461 HB1 GLN 461 -4.209 9.947 -4.295 252 HG2 GLN 461 HG2 GLN 461 -4.656 11.556 -6.003 253 HG3 GLN 461 HG1 GLN 461 -2.936 11.597 -5.622 254 HE21 GLN 461 HE21 GLN 461 -5.333 10.743 -7.975 255 HE22 GLN 461 HE22 GLN 461 -4.241 10.523 -9.305 256 H GLU 462 HN GLU 462 -1.882 8.296 -2.839 257 HA GLU 462 HA GLU 462 -0.385 10.731 -2.321 258 HB2 GLU 462 HB2 GLU 462 -0.770 8.354 -0.492 259 HB3 GLU 462 HB1 GLU 462 -0.285 9.982 -0.038 260 HG2 GLU 462 HG2 GLU 462 -2.474 10.827 -0.661 261 HG3 GLU 462 HG1 GLU 462 -2.968 9.213 -1.164 262 H LEU 463 HN LEU 463 0.245 7.721 -3.635 263 HA LEU 463 HA LEU 463 3.113 7.936 -3.110 264 HB2 LEU 463 HB2 LEU 463 2.099 6.490 -1.334 265 HB3 LEU 463 HB1 LEU 463 1.543 5.402 -2.591 266 HG LEU 463 HG LEU 463 3.887 4.950 -3.219 267 HD11 LEU 463 HD11 LEU 463 4.548 6.661 -0.826 268 HD12 LEU 463 HD12 LEU 463 4.886 7.052 -2.513 269 HD13 LEU 463 HD13 LEU 463 5.696 5.687 -1.743 270 HD21 LEU 463 HD21 LEU 463 4.460 3.632 -1.228 271 HD22 LEU 463 HD22 LEU 463 2.759 3.472 -1.662 272 HD23 LEU 463 HD23 LEU 463 3.231 4.502 -0.310 273 H LYS 464 HN LYS 464 1.359 8.330 -5.396 274 HA LYS 464 HA LYS 464 1.549 6.070 -7.123 275 HB2 LYS 464 HB2 LYS 464 -0.187 7.906 -7.285 276 HB3 LYS 464 HB1 LYS 464 1.079 8.941 -7.933 277 HG2 LYS 464 HG2 LYS 464 -0.226 8.025 -9.736 278 HG3 LYS 464 HG1 LYS 464 1.405 7.350 -9.781 279 HD2 LYS 464 HD2 LYS 464 0.559 5.345 -8.592 280 HD3 LYS 464 HD1 LYS 464 -1.071 6.014 -8.693 281 HE2 LYS 464 HE2 LYS 464 0.697 5.356 -11.043 282 HE3 LYS 464 HE1 LYS 464 -0.618 4.349 -10.448 283 HZ1 LYS 464 HZ1 LYS 464 -1.409 5.601 -12.283 284 HZ2 LYS 464 HZ2 LYS 464 -0.837 7.059 -11.639 285 HZ3 LYS 464 HZ3 LYS 464 -2.131 6.251 -10.892 Start of MODEL 13 1 H1 GLY 428 HT1 GLY 428 0.074 12.301 18.437 2 H2 GLY 428 HT2 GLY 428 1.581 13.079 18.349 3 H3 GLY 428 HT3 GLY 428 1.498 11.385 18.419 4 HA2 GLY 428 HA1 GLY 428 0.531 13.086 16.190 5 HA3 GLY 428 HA2 GLY 428 1.983 12.091 16.174 6 H ALA 429 HN ALA 429 -0.676 12.096 14.645 7 HA ALA 429 HA ALA 429 -0.990 9.207 14.673 8 HB1 ALA 429 HB1 ALA 429 -3.396 9.236 15.022 9 HB2 ALA 429 HB2 ALA 429 -3.362 10.988 15.224 10 HB3 ALA 429 HB3 ALA 429 -2.567 9.950 16.407 11 H THR 430 HN THR 430 -0.363 11.715 12.909 12 HA THR 430 HA THR 430 -1.715 10.637 10.565 13 HB THR 430 HB THR 430 -1.854 13.578 11.268 14 HG1 THR 430 HG1 THR 430 -3.501 11.437 11.782 15 HG21 THR 430 HG21 THR 430 -3.013 12.040 8.937 16 HG22 THR 430 HG22 THR 430 -1.670 13.182 8.855 17 HG23 THR 430 HG23 THR 430 -3.287 13.747 9.280 18 H ALA 431 HN ALA 431 -0.231 10.311 9.077 19 HA ALA 431 HA ALA 431 1.720 12.331 8.419 20 HB1 ALA 431 HB1 ALA 431 2.623 9.614 9.383 21 HB2 ALA 431 HB2 ALA 431 2.894 11.150 10.204 22 HB3 ALA 431 HB3 ALA 431 3.659 10.837 8.647 23 H VAL 432 HN VAL 432 2.929 11.705 6.431 24 HA VAL 432 HA VAL 432 1.190 10.155 4.681 25 HB VAL 432 HB VAL 432 2.650 11.003 2.843 26 HG11 VAL 432 HG11 VAL 432 0.613 12.185 3.453 27 HG12 VAL 432 HG12 VAL 432 1.868 13.324 2.966 28 HG13 VAL 432 HG13 VAL 432 1.493 13.102 4.675 29 HG21 VAL 432 HG21 VAL 432 4.712 11.285 4.112 30 HG22 VAL 432 HG22 VAL 432 3.964 12.569 5.063 31 HG23 VAL 432 HG23 VAL 432 4.243 12.798 3.338 32 H SER 433 HN SER 433 2.236 8.672 3.077 33 HA SER 433 HA SER 433 3.296 6.703 2.666 34 HB2 SER 433 HB2 SER 433 5.306 8.196 2.646 35 HB3 SER 433 HB1 SER 433 5.535 7.853 4.359 36 HG SER 433 HG SER 433 5.881 5.693 3.852 37 H GLU 434 HN GLU 434 1.562 7.022 4.958 38 HA GLU 434 HA GLU 434 2.632 5.605 7.200 39 HB2 GLU 434 HB2 GLU 434 0.294 5.682 8.032 40 HB3 GLU 434 HB1 GLU 434 0.913 7.256 7.556 41 HG2 GLU 434 HG2 GLU 434 -1.053 7.437 6.505 42 HG3 GLU 434 HG1 GLU 434 -0.256 6.491 5.254 43 H TRP 435 HN TRP 435 2.043 4.453 4.269 44 HA TRP 435 HA TRP 435 0.459 2.133 5.022 45 HB2 TRP 435 HB2 TRP 435 1.734 2.812 2.360 46 HB3 TRP 435 HB1 TRP 435 0.644 1.467 2.682 47 HD1 TRP 435 HD1 TRP 435 0.135 5.232 3.570 48 HE1 TRP 435 HE1 TRP 435 -2.095 5.973 2.504 49 HE3 TRP 435 HE3 TRP 435 -1.049 0.916 1.111 50 HZ2 TRP 435 HZ2 TRP 435 -4.087 4.867 0.842 51 HZ3 TRP 435 HZ3 TRP 435 -3.136 0.836 -0.201 52 HH2 TRP 435 HH2 TRP 435 -4.621 2.773 -0.334 53 H THR 436 HN THR 436 1.225 0.036 4.936 54 HA THR 436 HA THR 436 4.156 -0.230 4.774 55 HB THR 436 HB THR 436 2.366 -1.947 6.500 56 HG1 THR 436 HG1 THR 436 2.867 0.568 6.910 57 HG21 THR 436 HG21 THR 436 4.490 -2.498 7.619 58 HG22 THR 436 HG22 THR 436 5.350 -1.482 6.465 59 HG23 THR 436 HG23 THR 436 4.522 -2.937 5.911 60 H GLU 437 HN GLU 437 4.604 -1.246 2.923 61 HA GLU 437 HA GLU 437 2.720 -3.174 1.850 62 HB2 GLU 437 HB2 GLU 437 4.336 -3.320 -0.077 63 HB3 GLU 437 HB1 GLU 437 3.550 -1.764 0.156 64 HG2 GLU 437 HG2 GLU 437 5.443 -0.724 0.564 65 HG3 GLU 437 HG1 GLU 437 6.089 -2.024 1.557 66 H TYR 438 HN TYR 438 3.389 -5.199 1.138 67 HA TYR 438 HA TYR 438 5.498 -6.438 2.745 68 HB2 TYR 438 HB2 TYR 438 2.631 -7.438 2.670 69 HB3 TYR 438 HB1 TYR 438 3.978 -8.219 3.485 70 HD1 TYR 438 HD1 TYR 438 5.052 -6.967 5.450 71 HD2 TYR 438 HD2 TYR 438 1.282 -5.912 3.789 72 HE1 TYR 438 HE1 TYR 438 4.469 -5.792 7.530 73 HE2 TYR 438 HE2 TYR 438 0.693 -4.730 5.859 74 HH TYR 438 HH TYR 438 1.311 -4.776 8.243 75 H LYS 439 HN LYS 439 6.141 -8.479 1.686 76 HA LYS 439 HA LYS 439 4.925 -8.566 -0.974 77 HB2 LYS 439 HB2 LYS 439 7.368 -7.663 -0.734 78 HB3 LYS 439 HB1 LYS 439 7.757 -9.390 -0.690 79 HG2 LYS 439 HG2 LYS 439 7.810 -8.913 -2.971 80 HG3 LYS 439 HG1 LYS 439 6.170 -9.528 -2.703 81 HD2 LYS 439 HD2 LYS 439 6.014 -7.619 -4.065 82 HD3 LYS 439 HD1 LYS 439 5.281 -7.347 -2.531 83 HE2 LYS 439 HE2 LYS 439 8.158 -6.536 -2.986 84 HE3 LYS 439 HE1 LYS 439 6.851 -5.513 -3.579 85 HZ1 LYS 439 HZ1 LYS 439 6.053 -5.218 -1.370 86 HZ2 LYS 439 HZ2 LYS 439 7.716 -4.893 -1.357 87 HZ3 LYS 439 HZ3 LYS 439 7.137 -6.361 -0.745 88 H THR 440 HN THR 440 4.441 -10.391 -1.858 89 HA THR 440 HA THR 440 4.765 -12.825 -0.270 90 HB THR 440 HB THR 440 3.356 -13.891 -2.010 91 HG1 THR 440 HG1 THR 440 3.243 -12.933 -3.879 92 HG21 THR 440 HG21 THR 440 2.292 -12.824 -0.078 93 HG22 THR 440 HG22 THR 440 1.291 -12.670 -1.521 94 HG23 THR 440 HG23 THR 440 2.233 -11.293 -0.950 95 H ALA 441 HN ALA 441 5.754 -14.722 -1.105 96 HA ALA 441 HA ALA 441 8.322 -14.325 -2.030 97 HB1 ALA 441 HB1 ALA 441 8.464 -16.739 -2.280 98 HB2 ALA 441 HB2 ALA 441 6.706 -16.861 -2.223 99 HB3 ALA 441 HB3 ALA 441 7.597 -16.305 -0.807 100 H ASP 442 HN ASP 442 5.433 -14.781 -3.947 101 HA ASP 442 HA ASP 442 6.894 -15.535 -6.323 102 HB2 ASP 442 HB2 ASP 442 4.696 -15.562 -7.412 103 HB3 ASP 442 HB1 ASP 442 4.691 -16.489 -5.916 104 H GLY 443 HN GLY 443 6.585 -12.660 -4.817 105 HA2 GLY 443 HA2 GLY 443 7.589 -10.709 -5.657 106 HA3 GLY 443 HA1 GLY 443 7.342 -11.307 -7.288 107 H LYS 444 HN LYS 444 5.207 -10.600 -4.534 108 HA LYS 444 HA LYS 444 3.726 -8.681 -6.233 109 HB2 LYS 444 HB2 LYS 444 2.693 -10.711 -4.334 110 HB3 LYS 444 HB1 LYS 444 1.779 -9.328 -4.872 111 HG2 LYS 444 HG2 LYS 444 1.920 -10.135 -7.200 112 HG3 LYS 444 HG1 LYS 444 2.841 -11.535 -6.648 113 HD2 LYS 444 HD2 LYS 444 0.615 -12.281 -6.921 114 HD3 LYS 444 HD1 LYS 444 0.856 -12.099 -5.184 115 HE2 LYS 444 HE2 LYS 444 -1.277 -11.191 -5.713 116 HE3 LYS 444 HE1 LYS 444 -0.201 -9.842 -5.356 117 HZ1 LYS 444 HZ1 LYS 444 -0.988 -10.779 -8.066 118 HZ2 LYS 444 HZ2 LYS 444 0.075 -9.498 -7.750 119 HZ3 LYS 444 HZ3 LYS 444 -1.553 -9.379 -7.296 120 H THR 445 HN THR 445 3.538 -6.746 -5.226 121 HA THR 445 HA THR 445 4.082 -6.845 -2.347 122 HB THR 445 HB THR 445 5.404 -5.222 -3.789 123 HG1 THR 445 HG1 THR 445 5.013 -3.387 -2.312 124 HG21 THR 445 HG21 THR 445 3.676 -4.522 -5.357 125 HG22 THR 445 HG22 THR 445 4.346 -3.124 -4.517 126 HG23 THR 445 HG23 THR 445 2.770 -3.763 -4.047 127 H TYR 446 HN TYR 446 2.549 -5.812 -0.913 128 HA TYR 446 HA TYR 446 0.190 -4.613 -2.120 129 HB2 TYR 446 HB2 TYR 446 -1.266 -5.785 -0.421 130 HB3 TYR 446 HB1 TYR 446 -0.658 -6.778 -1.735 131 HD1 TYR 446 HD2 TYR 446 1.663 -8.028 -1.146 132 HD2 TYR 446 HD1 TYR 446 -1.206 -6.633 1.692 133 HE1 TYR 446 HE2 TYR 446 2.464 -9.684 0.496 134 HE2 TYR 446 HE1 TYR 446 -0.389 -8.264 3.334 135 HH TYR 446 HH TYR 446 0.795 -10.406 3.371 136 H TYR 447 HN TYR 447 -0.313 -2.774 -1.248 137 HA TYR 447 HA TYR 447 1.308 -1.874 0.993 138 HB2 TYR 447 HB2 TYR 447 -0.588 -0.264 -0.727 139 HB3 TYR 447 HB1 TYR 447 0.670 0.355 0.335 140 HD1 TYR 447 HD2 TYR 447 3.051 0.124 -0.300 141 HD2 TYR 447 HD1 TYR 447 -0.083 -1.014 -2.940 142 HE1 TYR 447 HE2 TYR 447 4.632 0.148 -2.181 143 HE2 TYR 447 HE1 TYR 447 1.491 -0.989 -4.827 144 HH TYR 447 HH TYR 447 4.880 -0.782 -4.386 145 H TYR 448 HN TYR 448 0.519 -1.971 2.970 146 HA TYR 448 HA TYR 448 -2.357 -2.177 3.362 147 HB2 TYR 448 HB2 TYR 448 -1.122 -3.822 4.536 148 HB3 TYR 448 HB1 TYR 448 0.044 -2.649 5.124 149 HD1 TYR 448 HD1 TYR 448 -0.730 -0.960 6.851 150 HD2 TYR 448 HD2 TYR 448 -3.014 -4.383 5.785 151 HE1 TYR 448 HE1 TYR 448 -1.980 -0.787 8.970 152 HE2 TYR 448 HE2 TYR 448 -4.280 -4.208 7.882 153 HH TYR 448 HH TYR 448 -4.081 -1.470 9.925 154 H ASN 449 HN ASN 449 -3.519 -0.444 3.791 155 HA ASN 449 HA ASN 449 -2.256 2.063 4.572 156 HB2 ASN 449 HB2 ASN 449 -3.904 2.068 2.758 157 HB3 ASN 449 HB1 ASN 449 -5.106 1.349 3.823 158 HD21 ASN 449 HD21 ASN 449 -2.841 3.928 4.649 159 HD22 ASN 449 HD22 ASN 449 -4.057 5.134 4.896 160 H ASN 450 HN ASN 450 -2.231 2.772 6.633 161 HA ASN 450 HA ASN 450 -3.609 1.212 8.658 162 HB2 ASN 450 HB2 ASN 450 -1.616 3.469 8.774 163 HB3 ASN 450 HB1 ASN 450 -2.479 2.938 10.216 164 HD21 ASN 450 HD21 ASN 450 -0.023 2.185 7.905 165 HD22 ASN 450 HD22 ASN 450 0.574 0.768 8.701 166 H ARG 451 HN ARG 451 -4.260 3.917 6.789 167 HA ARG 451 HA ARG 451 -5.796 5.448 8.599 168 HB2 ARG 451 HB2 ARG 451 -4.930 6.457 6.598 169 HB3 ARG 451 HB1 ARG 451 -5.784 5.305 5.586 170 HG2 ARG 451 HG2 ARG 451 -7.911 6.278 6.242 171 HG3 ARG 451 HG1 ARG 451 -7.075 7.409 7.312 172 HD2 ARG 451 HD2 ARG 451 -7.685 8.430 5.150 173 HD3 ARG 451 HD1 ARG 451 -5.944 8.420 5.432 174 HE ARG 451 HE ARG 451 -7.223 6.362 3.748 175 HH11 ARG 451 HH11 ARG 451 -4.871 8.931 4.161 176 HH12 ARG 451 HH12 ARG 451 -4.085 8.619 2.641 177 HH21 ARG 451 HH21 ARG 451 -6.179 5.979 1.734 178 HH22 ARG 451 HH22 ARG 451 -4.810 6.971 1.286 179 H THR 452 HN THR 452 -6.629 2.740 6.452 180 HA THR 452 HA THR 452 -9.256 2.704 7.761 181 HB THR 452 HB THR 452 -9.575 3.714 5.557 182 HG1 THR 452 HG1 THR 452 -10.567 1.074 5.916 183 HG21 THR 452 HG21 THR 452 -9.151 2.423 3.510 184 HG22 THR 452 HG22 THR 452 -8.373 1.168 4.474 185 HG23 THR 452 HG23 THR 452 -7.666 2.782 4.388 186 H LEU 453 HN LEU 453 -6.497 1.231 7.586 187 HA LEU 453 HA LEU 453 -5.722 -0.855 8.018 188 HB2 LEU 453 HB2 LEU 453 -8.618 -1.526 8.545 189 HB3 LEU 453 HB1 LEU 453 -7.226 -2.438 9.092 190 HG LEU 453 HG LEU 453 -7.936 0.361 9.968 191 HD11 LEU 453 HD11 LEU 453 -8.459 -0.671 12.117 192 HD12 LEU 453 HD12 LEU 453 -8.129 -2.263 11.436 193 HD13 LEU 453 HD13 LEU 453 -9.487 -1.313 10.835 194 HD21 LEU 453 HD21 LEU 453 -5.531 -0.020 9.971 195 HD22 LEU 453 HD22 LEU 453 -5.757 -1.495 10.913 196 HD23 LEU 453 HD23 LEU 453 -6.159 0.073 11.616 197 H GLU 454 HN GLU 454 -6.635 -0.114 5.311 198 HA GLU 454 HA GLU 454 -7.575 -2.680 4.280 199 HB2 GLU 454 HB2 GLU 454 -7.883 0.123 3.297 200 HB3 GLU 454 HB1 GLU 454 -8.030 -1.222 2.175 201 HG2 GLU 454 HG2 GLU 454 -9.659 -0.886 4.680 202 HG3 GLU 454 HG1 GLU 454 -10.190 -0.453 3.055 203 H SER 455 HN SER 455 -6.348 -3.873 2.971 204 HA SER 455 HA SER 455 -3.740 -2.811 2.171 205 HB2 SER 455 HB2 SER 455 -3.254 -5.270 1.745 206 HB3 SER 455 HB1 SER 455 -3.571 -4.840 3.426 207 HG SER 455 HG SER 455 -5.027 -6.362 3.307 208 H ASP 456 HN ASP 456 -3.329 -2.324 0.090 209 HA ASP 456 HA ASP 456 -4.876 -3.682 -2.004 210 HB2 ASP 456 HB2 ASP 456 -5.931 -1.471 -1.594 211 HB3 ASP 456 HB1 ASP 456 -4.394 -0.695 -1.972 212 H TRP 457 HN TRP 457 -3.766 -4.054 -3.891 213 HA TRP 457 HA TRP 457 -0.916 -4.179 -3.568 214 HB2 TRP 457 HB2 TRP 457 -2.315 -4.795 -6.150 215 HB3 TRP 457 HB1 TRP 457 -0.893 -5.561 -5.453 216 HD1 TRP 457 HD1 TRP 457 -4.711 -5.502 -5.143 217 HE1 TRP 457 HE1 TRP 457 -5.471 -7.696 -4.005 218 HE3 TRP 457 HE3 TRP 457 -0.127 -7.420 -3.965 219 HZ2 TRP 457 HZ2 TRP 457 -4.258 -9.948 -2.774 220 HZ3 TRP 457 HZ3 TRP 457 -0.003 -9.591 -2.818 221 HH2 TRP 457 HH2 TRP 457 -2.020 -10.828 -2.236 222 H GLU 458 HN GLU 458 -3.023 -1.867 -4.849 223 HA GLU 458 HA GLU 458 -1.044 -0.991 -6.813 224 HB2 GLU 458 HB2 GLU 458 -4.021 -0.694 -6.667 225 HB3 GLU 458 HB1 GLU 458 -3.054 0.320 -7.719 226 HG2 GLU 458 HG2 GLU 458 -3.173 -2.682 -7.782 227 HG3 GLU 458 HG1 GLU 458 -3.918 -1.581 -8.940 228 H LYS 459 HN LYS 459 -1.246 1.466 -7.259 229 HA LYS 459 HA LYS 459 -0.304 2.540 -4.720 230 HB2 LYS 459 HB2 LYS 459 0.176 3.522 -7.543 231 HB3 LYS 459 HB1 LYS 459 0.923 4.173 -6.092 232 HG2 LYS 459 HG2 LYS 459 2.550 2.778 -7.036 233 HG3 LYS 459 HG1 LYS 459 1.862 1.832 -5.713 234 HD2 LYS 459 HD2 LYS 459 0.317 0.799 -7.446 235 HD3 LYS 459 HD1 LYS 459 1.344 1.550 -8.669 236 HE2 LYS 459 HE2 LYS 459 3.272 0.346 -7.796 237 HE3 LYS 459 HE1 LYS 459 2.264 -0.387 -6.550 238 HZ1 LYS 459 HZ1 LYS 459 0.960 -1.473 -8.287 239 HZ2 LYS 459 HZ2 LYS 459 2.600 -1.899 -8.406 240 HZ3 LYS 459 HZ3 LYS 459 1.936 -0.771 -9.482 241 HA PRO 460 HA PRO 460 -3.811 5.339 -4.670 242 HB2 PRO 460 HB2 PRO 460 -3.345 6.315 -2.215 243 HB3 PRO 460 HB1 PRO 460 -3.999 4.688 -2.456 244 HG2 PRO 460 HG2 PRO 460 -1.174 5.530 -1.894 245 HG3 PRO 460 HG1 PRO 460 -2.112 4.214 -1.166 246 HD2 PRO 460 HD2 PRO 460 -0.311 3.827 -3.165 247 HD3 PRO 460 HD1 PRO 460 -1.742 2.802 -2.937 248 H GLN 461 HN GLN 461 -3.783 7.807 -3.678 249 HA GLN 461 HA GLN 461 -2.106 9.170 -5.532 250 HB2 GLN 461 HB2 GLN 461 -4.381 9.944 -4.994 251 HB3 GLN 461 HB1 GLN 461 -3.855 10.327 -3.360 252 HG2 GLN 461 HG2 GLN 461 -3.989 12.294 -4.833 253 HG3 GLN 461 HG1 GLN 461 -2.378 12.029 -4.170 254 HE21 GLN 461 HE21 GLN 461 -1.387 13.192 -5.788 255 HE22 GLN 461 HE22 GLN 461 -1.232 12.597 -7.406 256 H GLU 462 HN GLU 462 -1.859 8.435 -2.148 257 HA GLU 462 HA GLU 462 0.250 10.316 -1.640 258 HB2 GLU 462 HB2 GLU 462 0.639 8.797 0.402 259 HB3 GLU 462 HB1 GLU 462 -0.874 9.691 0.312 260 HG2 GLU 462 HG2 GLU 462 -0.797 6.923 -0.762 261 HG3 GLU 462 HG1 GLU 462 -0.777 7.148 0.986 262 H LEU 463 HN LEU 463 0.234 7.761 -3.632 263 HA LEU 463 HA LEU 463 3.076 7.203 -3.164 264 HB2 LEU 463 HB2 LEU 463 1.577 5.463 -2.138 265 HB3 LEU 463 HB1 LEU 463 1.017 5.084 -3.753 266 HG LEU 463 HG LEU 463 3.138 4.204 -4.388 267 HD11 LEU 463 HD11 LEU 463 5.098 4.280 -2.935 268 HD12 LEU 463 HD12 LEU 463 4.196 5.220 -1.745 269 HD13 LEU 463 HD13 LEU 463 4.551 5.911 -3.328 270 HD21 LEU 463 HD21 LEU 463 3.457 2.451 -2.699 271 HD22 LEU 463 HD22 LEU 463 1.752 2.732 -3.050 272 HD23 LEU 463 HD23 LEU 463 2.464 3.375 -1.570 273 H LYS 464 HN LYS 464 1.121 8.590 -5.181 274 HA LYS 464 HA LYS 464 2.569 7.654 -7.534 275 HB2 LYS 464 HB2 LYS 464 0.323 6.498 -7.404 276 HB3 LYS 464 HB1 LYS 464 -0.422 8.080 -7.583 277 HG2 LYS 464 HG2 LYS 464 -0.335 6.879 -9.699 278 HG3 LYS 464 HG1 LYS 464 0.634 8.353 -9.756 279 HD2 LYS 464 HD2 LYS 464 2.662 7.056 -9.405 280 HD3 LYS 464 HD1 LYS 464 1.712 5.577 -9.262 281 HE2 LYS 464 HE2 LYS 464 2.698 5.752 -11.475 282 HE3 LYS 464 HE1 LYS 464 0.940 5.850 -11.566 283 HZ1 LYS 464 HZ1 LYS 464 2.849 8.126 -11.731 284 HZ2 LYS 464 HZ2 LYS 464 1.161 8.284 -11.709 285 HZ3 LYS 464 HZ3 LYS 464 1.923 7.485 -12.996 Start of MODEL 14 1 H1 GLY 428 HT1 GLY 428 1.927 16.972 11.896 2 H2 GLY 428 HT2 GLY 428 2.423 15.875 13.087 3 H3 GLY 428 HT3 GLY 428 0.770 16.166 12.843 4 HA2 GLY 428 HA1 GLY 428 2.649 14.812 10.992 5 HA3 GLY 428 HA2 GLY 428 1.317 14.071 11.868 6 H ALA 429 HN ALA 429 2.274 15.926 9.139 7 HA ALA 429 HA ALA 429 -0.312 15.459 7.898 8 HB1 ALA 429 HB1 ALA 429 -0.611 17.786 7.207 9 HB2 ALA 429 HB2 ALA 429 0.814 18.248 8.139 10 HB3 ALA 429 HB3 ALA 429 -0.620 17.637 8.965 11 H THR 430 HN THR 430 3.036 16.252 7.758 12 HA THR 430 HA THR 430 3.146 16.541 4.897 13 HB THR 430 HB THR 430 5.456 16.107 6.803 14 HG1 THR 430 HG1 THR 430 5.058 18.051 7.533 15 HG21 THR 430 HG21 THR 430 5.291 17.473 4.109 16 HG22 THR 430 HG22 THR 430 6.017 15.896 4.423 17 HG23 THR 430 HG23 THR 430 6.731 17.352 5.117 18 H ALA 431 HN ALA 431 3.385 13.962 7.191 19 HA ALA 431 HA ALA 431 4.711 12.136 5.391 20 HB1 ALA 431 HB1 ALA 431 5.053 11.953 7.807 21 HB2 ALA 431 HB2 ALA 431 4.365 10.473 7.141 22 HB3 ALA 431 HB3 ALA 431 3.339 11.601 8.027 23 H VAL 432 HN VAL 432 3.339 12.163 3.588 24 HA VAL 432 HA VAL 432 0.588 11.340 3.838 25 HB VAL 432 HB VAL 432 0.591 11.344 1.349 26 HG11 VAL 432 HG11 VAL 432 1.715 13.825 2.654 27 HG12 VAL 432 HG12 VAL 432 0.014 13.366 2.577 28 HG13 VAL 432 HG13 VAL 432 0.885 13.772 1.098 29 HG21 VAL 432 HG21 VAL 432 2.894 10.695 0.951 30 HG22 VAL 432 HG22 VAL 432 3.467 12.194 1.681 31 HG23 VAL 432 HG23 VAL 432 2.556 12.240 0.170 32 H SER 433 HN SER 433 3.620 9.800 3.483 33 HA SER 433 HA SER 433 2.559 7.345 2.433 34 HB2 SER 433 HB2 SER 433 5.238 7.778 3.767 35 HB3 SER 433 HB1 SER 433 4.787 6.472 2.670 36 HG SER 433 HG SER 433 6.016 8.258 1.719 37 H GLU 434 HN GLU 434 0.905 6.898 3.869 38 HA GLU 434 HA GLU 434 1.644 6.217 6.626 39 HB2 GLU 434 HB2 GLU 434 -0.827 6.174 6.992 40 HB3 GLU 434 HB1 GLU 434 -0.231 7.734 6.440 41 HG2 GLU 434 HG2 GLU 434 -0.947 7.209 4.165 42 HG3 GLU 434 HG1 GLU 434 -1.551 5.649 4.721 43 H TRP 435 HN TRP 435 1.889 4.690 3.916 44 HA TRP 435 HA TRP 435 0.407 2.271 4.688 45 HB2 TRP 435 HB2 TRP 435 1.589 2.958 1.990 46 HB3 TRP 435 HB1 TRP 435 0.648 1.523 2.398 47 HD1 TRP 435 HD1 TRP 435 -0.160 5.313 2.933 48 HE1 TRP 435 HE1 TRP 435 -2.491 5.751 1.923 49 HE3 TRP 435 HE3 TRP 435 -1.113 0.649 1.107 50 HZ2 TRP 435 HZ2 TRP 435 -4.473 4.295 0.529 51 HZ3 TRP 435 HZ3 TRP 435 -3.250 0.250 -0.064 52 HH2 TRP 435 HH2 TRP 435 -4.891 2.037 -0.345 53 H THR 436 HN THR 436 1.419 0.293 4.700 54 HA THR 436 HA THR 436 4.351 0.277 4.379 55 HB THR 436 HB THR 436 2.793 -1.498 6.272 56 HG1 THR 436 HG1 THR 436 4.296 0.865 6.867 57 HG21 THR 436 HG21 THR 436 4.989 -1.960 7.241 58 HG22 THR 436 HG22 THR 436 5.745 -0.873 6.076 59 HG23 THR 436 HG23 THR 436 4.976 -2.360 5.521 60 H GLU 437 HN GLU 437 4.925 -0.988 2.687 61 HA GLU 437 HA GLU 437 2.959 -2.852 1.646 62 HB2 GLU 437 HB2 GLU 437 4.754 -3.142 -0.207 63 HB3 GLU 437 HB1 GLU 437 3.784 -1.670 -0.146 64 HG2 GLU 437 HG2 GLU 437 5.521 -0.431 0.793 65 HG3 GLU 437 HG1 GLU 437 6.493 -1.871 1.115 66 H TYR 438 HN TYR 438 3.511 -4.941 0.980 67 HA TYR 438 HA TYR 438 5.436 -6.311 2.689 68 HB2 TYR 438 HB2 TYR 438 2.436 -6.797 2.742 69 HB3 TYR 438 HB1 TYR 438 3.620 -7.909 3.413 70 HD1 TYR 438 HD2 TYR 438 5.167 -6.960 5.264 71 HD2 TYR 438 HD1 TYR 438 1.509 -5.144 4.074 72 HE1 TYR 438 HE2 TYR 438 5.063 -5.775 7.412 73 HE2 TYR 438 HE1 TYR 438 1.395 -3.951 6.221 74 HH TYR 438 HH TYR 438 2.266 -4.186 8.505 75 H LYS 439 HN LYS 439 5.795 -8.507 1.759 76 HA LYS 439 HA LYS 439 4.762 -8.448 -0.985 77 HB2 LYS 439 HB2 LYS 439 7.302 -8.042 -0.486 78 HB3 LYS 439 HB1 LYS 439 7.339 -9.808 -0.414 79 HG2 LYS 439 HG2 LYS 439 7.742 -9.340 -2.672 80 HG3 LYS 439 HG1 LYS 439 6.007 -9.697 -2.584 81 HD2 LYS 439 HD2 LYS 439 6.334 -7.771 -3.930 82 HD3 LYS 439 HD1 LYS 439 5.423 -7.429 -2.511 83 HE2 LYS 439 HE2 LYS 439 8.410 -6.988 -2.491 84 HE3 LYS 439 HE1 LYS 439 7.362 -5.807 -3.275 85 HZ1 LYS 439 HZ1 LYS 439 7.826 -5.196 -0.987 86 HZ2 LYS 439 HZ2 LYS 439 7.187 -6.659 -0.425 87 HZ3 LYS 439 HZ3 LYS 439 6.177 -5.527 -1.184 88 H THR 440 HN THR 440 4.065 -10.227 -1.945 89 HA THR 440 HA THR 440 3.742 -12.656 -0.373 90 HB THR 440 HB THR 440 2.516 -13.450 -2.438 91 HG1 THR 440 HG1 THR 440 2.484 -12.214 -4.172 92 HG21 THR 440 HG21 THR 440 0.554 -12.014 -2.076 93 HG22 THR 440 HG22 THR 440 1.565 -10.865 -1.201 94 HG23 THR 440 HG23 THR 440 1.305 -12.482 -0.550 95 H ALA 441 HN ALA 441 4.552 -14.688 -1.086 96 HA ALA 441 HA ALA 441 7.217 -14.760 -1.790 97 HB1 ALA 441 HB1 ALA 441 5.974 -16.606 -0.730 98 HB2 ALA 441 HB2 ALA 441 6.958 -17.139 -2.093 99 HB3 ALA 441 HB3 ALA 441 5.215 -16.957 -2.284 100 H ASP 442 HN ASP 442 4.443 -14.645 -3.898 101 HA ASP 442 HA ASP 442 5.815 -15.515 -6.246 102 HB2 ASP 442 HB2 ASP 442 3.691 -14.490 -7.354 103 HB3 ASP 442 HB1 ASP 442 3.555 -15.947 -6.378 104 H GLY 443 HN GLY 443 6.148 -12.682 -4.570 105 HA2 GLY 443 HA2 GLY 443 7.731 -11.069 -5.214 106 HA3 GLY 443 HA1 GLY 443 7.531 -11.564 -6.885 107 H LYS 444 HN LYS 444 4.880 -10.745 -4.776 108 HA LYS 444 HA LYS 444 4.330 -8.335 -6.414 109 HB2 LYS 444 HB2 LYS 444 2.614 -10.205 -4.912 110 HB3 LYS 444 HB1 LYS 444 2.053 -8.645 -5.456 111 HG2 LYS 444 HG2 LYS 444 2.517 -9.309 -7.800 112 HG3 LYS 444 HG1 LYS 444 3.002 -10.905 -7.226 113 HD2 LYS 444 HD2 LYS 444 0.731 -10.992 -8.051 114 HD3 LYS 444 HD1 LYS 444 0.733 -11.227 -6.304 115 HE2 LYS 444 HE2 LYS 444 -1.079 -9.747 -6.950 116 HE3 LYS 444 HE1 LYS 444 0.115 -8.867 -6.000 117 HZ1 LYS 444 HZ1 LYS 444 0.114 -8.844 -8.962 118 HZ2 LYS 444 HZ2 LYS 444 0.929 -7.795 -7.906 119 HZ3 LYS 444 HZ3 LYS 444 -0.757 -7.714 -8.044 120 H THR 445 HN THR 445 4.291 -6.432 -5.312 121 HA THR 445 HA THR 445 4.372 -6.705 -2.411 122 HB THR 445 HB THR 445 5.917 -5.094 -3.656 123 HG1 THR 445 HG1 THR 445 5.576 -3.403 -2.052 124 HG21 THR 445 HG21 THR 445 3.401 -3.442 -3.936 125 HG22 THR 445 HG22 THR 445 4.318 -4.163 -5.259 126 HG23 THR 445 HG23 THR 445 5.040 -2.888 -4.278 127 H TYR 446 HN TYR 446 2.762 -5.699 -1.090 128 HA TYR 446 HA TYR 446 0.540 -4.404 -2.458 129 HB2 TYR 446 HB2 TYR 446 -1.057 -5.568 -0.879 130 HB3 TYR 446 HB1 TYR 446 -0.374 -6.562 -2.154 131 HD1 TYR 446 HD1 TYR 446 1.847 -7.886 -1.429 132 HD2 TYR 446 HD2 TYR 446 -1.146 -6.421 1.237 133 HE1 TYR 446 HE1 TYR 446 2.479 -9.588 0.240 134 HE2 TYR 446 HE2 TYR 446 -0.493 -8.089 2.914 135 HH TYR 446 HH TYR 446 2.357 -9.953 2.641 136 H TYR 447 HN TYR 447 -0.168 -2.638 -1.497 137 HA TYR 447 HA TYR 447 1.462 -1.709 0.721 138 HB2 TYR 447 HB2 TYR 447 -0.470 -0.232 -1.081 139 HB3 TYR 447 HB1 TYR 447 0.578 0.514 0.121 140 HD1 TYR 447 HD1 TYR 447 0.478 -1.163 -3.149 141 HD2 TYR 447 HD2 TYR 447 2.922 0.817 -0.290 142 HE1 TYR 447 HE1 TYR 447 2.266 -0.960 -4.828 143 HE2 TYR 447 HE2 TYR 447 4.716 1.018 -1.957 144 HH TYR 447 HH TYR 447 5.449 -0.053 -4.016 145 H TYR 448 HN TYR 448 0.755 -1.700 2.706 146 HA TYR 448 HA TYR 448 -2.081 -2.159 3.217 147 HB2 TYR 448 HB2 TYR 448 -0.729 -3.762 4.281 148 HB3 TYR 448 HB1 TYR 448 0.446 -2.560 4.798 149 HD1 TYR 448 HD2 TYR 448 -0.126 -1.020 6.664 150 HD2 TYR 448 HD1 TYR 448 -2.593 -4.327 5.620 151 HE1 TYR 448 HE2 TYR 448 -1.182 -0.942 8.896 152 HE2 TYR 448 HE1 TYR 448 -3.650 -4.257 7.836 153 HH TYR 448 HH TYR 448 -3.233 -3.471 10.037 154 H ASN 449 HN ASN 449 -3.315 -0.507 3.755 155 HA ASN 449 HA ASN 449 -2.114 2.015 4.576 156 HB2 ASN 449 HB2 ASN 449 -3.710 2.206 2.819 157 HB3 ASN 449 HB1 ASN 449 -4.880 1.210 3.676 158 HD21 ASN 449 HD21 ASN 449 -3.336 4.338 3.540 159 HD22 ASN 449 HD22 ASN 449 -4.505 5.170 4.511 160 H ASN 450 HN ASN 450 -2.064 2.681 6.613 161 HA ASN 450 HA ASN 450 -3.232 1.041 8.679 162 HB2 ASN 450 HB2 ASN 450 -1.489 3.504 8.765 163 HB3 ASN 450 HB1 ASN 450 -2.131 2.745 10.216 164 HD21 ASN 450 HD21 ASN 450 0.159 2.520 7.633 165 HD22 ASN 450 HD22 ASN 450 1.028 1.155 8.250 166 H ARG 451 HN ARG 451 -4.448 3.513 6.850 167 HA ARG 451 HA ARG 451 -5.808 4.998 8.903 168 HB2 ARG 451 HB2 ARG 451 -5.116 5.907 6.648 169 HB3 ARG 451 HB1 ARG 451 -6.411 4.954 5.946 170 HG2 ARG 451 HG2 ARG 451 -7.987 6.206 7.470 171 HG3 ARG 451 HG1 ARG 451 -6.634 7.287 7.822 172 HD2 ARG 451 HD2 ARG 451 -7.988 6.784 5.185 173 HD3 ARG 451 HD1 ARG 451 -7.849 8.304 6.066 174 HE ARG 451 HE ARG 451 -5.291 7.814 5.596 175 HH11 ARG 451 HH11 ARG 451 -8.022 7.379 3.423 176 HH12 ARG 451 HH12 ARG 451 -7.101 7.769 1.998 177 HH21 ARG 451 HH21 ARG 451 -4.090 8.296 3.729 178 HH22 ARG 451 HH22 ARG 451 -4.860 8.265 2.160 179 H THR 452 HN THR 452 -6.658 2.455 6.585 180 HA THR 452 HA THR 452 -9.169 2.072 8.071 181 HB THR 452 HB THR 452 -9.739 3.161 5.983 182 HG1 THR 452 HG1 THR 452 -10.381 0.437 6.280 183 HG21 THR 452 HG21 THR 452 -9.211 2.145 3.804 184 HG22 THR 452 HG22 THR 452 -8.227 0.932 4.623 185 HG23 THR 452 HG23 THR 452 -7.761 2.633 4.680 186 H LEU 453 HN LEU 453 -6.301 0.835 7.631 187 HA LEU 453 HA LEU 453 -5.350 -1.210 7.888 188 HB2 LEU 453 HB2 LEU 453 -8.150 -2.166 8.507 189 HB3 LEU 453 HB1 LEU 453 -6.655 -2.988 8.914 190 HG LEU 453 HG LEU 453 -7.600 -0.361 10.056 191 HD11 LEU 453 HD11 LEU 453 -8.850 -2.284 10.883 192 HD12 LEU 453 HD12 LEU 453 -7.816 -1.608 12.141 193 HD13 LEU 453 HD13 LEU 453 -7.340 -3.090 11.312 194 HD21 LEU 453 HD21 LEU 453 -5.671 -0.501 11.529 195 HD22 LEU 453 HD22 LEU 453 -5.163 -0.440 9.841 196 HD23 LEU 453 HD23 LEU 453 -5.138 -1.971 10.716 197 H GLU 454 HN GLU 454 -6.359 -0.366 5.281 198 HA GLU 454 HA GLU 454 -7.336 -2.873 4.126 199 HB2 GLU 454 HB2 GLU 454 -8.661 -0.817 3.716 200 HB3 GLU 454 HB1 GLU 454 -7.281 -0.130 2.872 201 HG2 GLU 454 HG2 GLU 454 -7.405 -1.816 1.171 202 HG3 GLU 454 HG1 GLU 454 -8.675 -2.665 2.052 203 H SER 455 HN SER 455 -6.065 -4.091 2.872 204 HA SER 455 HA SER 455 -3.450 -2.991 2.118 205 HB2 SER 455 HB2 SER 455 -2.820 -5.423 1.873 206 HB3 SER 455 HB1 SER 455 -3.234 -4.927 3.514 207 HG SER 455 HG SER 455 -5.288 -5.902 1.890 208 H ASP 456 HN ASP 456 -3.334 -2.309 0.080 209 HA ASP 456 HA ASP 456 -4.730 -3.868 -2.003 210 HB2 ASP 456 HB2 ASP 456 -5.760 -1.580 -1.435 211 HB3 ASP 456 HB1 ASP 456 -4.314 -0.882 -2.157 212 H TRP 457 HN TRP 457 -3.511 -4.402 -3.755 213 HA TRP 457 HA TRP 457 -0.697 -4.302 -3.514 214 HB2 TRP 457 HB2 TRP 457 -2.035 -4.808 -6.146 215 HB3 TRP 457 HB1 TRP 457 -0.591 -5.557 -5.475 216 HD1 TRP 457 HD1 TRP 457 -4.403 -5.703 -5.288 217 HE1 TRP 457 HE1 TRP 457 -5.090 -7.993 -4.304 218 HE3 TRP 457 HE3 TRP 457 0.231 -7.457 -4.037 219 HZ2 TRP 457 HZ2 TRP 457 -3.806 -10.246 -3.161 220 HZ3 TRP 457 HZ3 TRP 457 0.419 -9.684 -3.018 221 HH2 TRP 457 HH2 TRP 457 -1.552 -11.048 -2.590 222 H GLU 458 HN GLU 458 -3.001 -2.273 -5.123 223 HA GLU 458 HA GLU 458 -0.949 -1.023 -6.763 224 HB2 GLU 458 HB2 GLU 458 -3.934 -0.986 -6.704 225 HB3 GLU 458 HB1 GLU 458 -3.092 0.366 -7.438 226 HG2 GLU 458 HG2 GLU 458 -3.686 -1.219 -9.137 227 HG3 GLU 458 HG1 GLU 458 -1.937 -1.200 -8.947 228 H LYS 459 HN LYS 459 0.030 0.791 -6.256 229 HA LYS 459 HA LYS 459 -0.197 1.889 -3.676 230 HB2 LYS 459 HB2 LYS 459 1.464 3.523 -4.433 231 HB3 LYS 459 HB1 LYS 459 1.904 1.893 -4.924 232 HG2 LYS 459 HG2 LYS 459 0.926 2.417 -7.167 233 HG3 LYS 459 HG1 LYS 459 0.778 4.090 -6.640 234 HD2 LYS 459 HD2 LYS 459 3.316 2.479 -6.876 235 HD3 LYS 459 HD1 LYS 459 2.814 3.818 -7.910 236 HE2 LYS 459 HE2 LYS 459 2.886 5.317 -5.964 237 HE3 LYS 459 HE1 LYS 459 3.448 3.976 -4.969 238 HZ1 LYS 459 HZ1 LYS 459 5.310 5.288 -5.644 239 HZ2 LYS 459 HZ2 LYS 459 4.864 5.183 -7.279 240 HZ3 LYS 459 HZ3 LYS 459 5.393 3.801 -6.453 241 HA PRO 460 HA PRO 460 -3.423 4.883 -4.230 242 HB2 PRO 460 HB2 PRO 460 -2.964 6.379 -2.047 243 HB3 PRO 460 HB1 PRO 460 -3.574 4.723 -1.917 244 HG2 PRO 460 HG2 PRO 460 -0.753 5.718 -1.655 245 HG3 PRO 460 HG1 PRO 460 -1.648 4.627 -0.577 246 HD2 PRO 460 HD2 PRO 460 0.073 3.694 -2.425 247 HD3 PRO 460 HD1 PRO 460 -1.414 2.818 -2.005 248 H GLN 461 HN GLN 461 -3.703 7.265 -4.383 249 HA GLN 461 HA GLN 461 -1.751 8.442 -6.039 250 HB2 GLN 461 HB2 GLN 461 -4.082 9.084 -6.223 251 HB3 GLN 461 HB1 GLN 461 -4.077 9.701 -4.576 252 HG2 GLN 461 HG2 GLN 461 -2.515 11.441 -5.202 253 HG3 GLN 461 HG1 GLN 461 -2.432 10.802 -6.842 254 HE21 GLN 461 HE21 GLN 461 -3.254 13.423 -5.790 255 HE22 GLN 461 HE22 GLN 461 -4.844 13.695 -6.430 256 H GLU 462 HN GLU 462 -2.272 8.542 -2.585 257 HA GLU 462 HA GLU 462 -0.666 10.776 -1.977 258 HB2 GLU 462 HB2 GLU 462 -1.125 8.320 -0.271 259 HB3 GLU 462 HB1 GLU 462 -0.546 9.879 0.294 260 HG2 GLU 462 HG2 GLU 462 -2.710 10.091 0.872 261 HG3 GLU 462 HG1 GLU 462 -2.839 10.682 -0.783 262 H LEU 463 HN LEU 463 0.175 7.666 -3.093 263 HA LEU 463 HA LEU 463 2.955 8.049 -2.196 264 HB2 LEU 463 HB2 LEU 463 1.695 6.065 -1.276 265 HB3 LEU 463 HB1 LEU 463 1.625 5.439 -2.916 266 HG LEU 463 HG LEU 463 4.073 5.323 -2.991 267 HD11 LEU 463 HD11 LEU 463 5.362 5.638 -0.902 268 HD12 LEU 463 HD12 LEU 463 3.908 6.260 -0.121 269 HD13 LEU 463 HD13 LEU 463 4.626 7.137 -1.471 270 HD21 LEU 463 HD21 LEU 463 2.783 3.389 -2.251 271 HD22 LEU 463 HD22 LEU 463 2.880 3.958 -0.583 272 HD23 LEU 463 HD23 LEU 463 4.345 3.472 -1.437 273 H LYS 464 HN LYS 464 1.036 8.406 -4.773 274 HA LYS 464 HA LYS 464 2.604 7.010 -6.770 275 HB2 LYS 464 HB2 LYS 464 0.139 7.155 -6.928 276 HB3 LYS 464 HB1 LYS 464 0.266 8.902 -7.073 277 HG2 LYS 464 HG2 LYS 464 1.800 8.327 -9.108 278 HG3 LYS 464 HG1 LYS 464 0.952 6.781 -9.046 279 HD2 LYS 464 HD2 LYS 464 -0.369 8.003 -10.499 280 HD3 LYS 464 HD1 LYS 464 -1.187 8.251 -8.956 281 HE2 LYS 464 HE2 LYS 464 0.743 10.153 -10.289 282 HE3 LYS 464 HE1 LYS 464 -1.002 10.346 -10.192 283 HZ1 LYS 464 HZ1 LYS 464 -0.728 10.399 -7.729 284 HZ2 LYS 464 HZ2 LYS 464 -0.041 11.710 -8.538 285 HZ3 LYS 464 HZ3 LYS 464 0.952 10.462 -7.957 Start of MODEL 15 1 H1 GLY 428 HT1 GLY 428 2.394 17.825 13.255 2 H2 GLY 428 HT2 GLY 428 2.402 18.257 14.894 3 H3 GLY 428 HT3 GLY 428 0.945 18.251 14.024 4 HA2 GLY 428 HA1 GLY 428 2.598 15.861 14.613 5 HA3 GLY 428 HA2 GLY 428 1.134 16.314 15.475 6 H ALA 429 HN ALA 429 -0.033 14.526 14.941 7 HA ALA 429 HA ALA 429 -1.517 13.274 13.780 8 HB1 ALA 429 HB1 ALA 429 -2.327 15.397 12.845 9 HB2 ALA 429 HB2 ALA 429 -2.455 14.067 11.694 10 HB3 ALA 429 HB3 ALA 429 -1.158 15.252 11.532 11 H THR 430 HN THR 430 -1.608 11.606 12.187 12 HA THR 430 HA THR 430 1.048 11.074 11.045 13 HB THR 430 HB THR 430 0.281 9.459 12.784 14 HG1 THR 430 HG1 THR 430 1.713 8.492 11.537 15 HG21 THR 430 HG21 THR 430 -1.779 8.662 10.726 16 HG22 THR 430 HG22 THR 430 -2.112 9.430 12.277 17 HG23 THR 430 HG23 THR 430 -1.427 7.806 12.228 18 H ALA 431 HN ALA 431 1.250 11.139 8.955 19 HA ALA 431 HA ALA 431 -0.671 10.177 7.089 20 HB1 ALA 431 HB1 ALA 431 -1.750 12.319 7.628 21 HB2 ALA 431 HB2 ALA 431 -1.168 12.287 5.964 22 HB3 ALA 431 HB3 ALA 431 -0.267 13.172 7.196 23 H VAL 432 HN VAL 432 0.115 10.517 4.838 24 HA VAL 432 HA VAL 432 1.720 10.505 3.228 25 HB VAL 432 HB VAL 432 3.366 12.112 5.195 26 HG11 VAL 432 HG11 VAL 432 3.751 11.692 2.234 27 HG12 VAL 432 HG12 VAL 432 4.760 11.017 3.512 28 HG13 VAL 432 HG13 VAL 432 4.706 12.763 3.260 29 HG21 VAL 432 HG21 VAL 432 2.665 14.044 3.859 30 HG22 VAL 432 HG22 VAL 432 1.280 13.222 4.579 31 HG23 VAL 432 HG23 VAL 432 1.653 12.992 2.869 32 H SER 433 HN SER 433 2.939 8.855 2.623 33 HA SER 433 HA SER 433 3.916 6.813 2.738 34 HB2 SER 433 HB2 SER 433 6.050 6.666 3.960 35 HB3 SER 433 HB1 SER 433 5.931 8.178 3.067 36 HG SER 433 HG SER 433 4.951 8.704 5.422 37 H GLU 434 HN GLU 434 1.655 7.370 4.486 38 HA GLU 434 HA GLU 434 2.047 5.970 6.952 39 HB2 GLU 434 HB2 GLU 434 -0.466 6.170 7.101 40 HB3 GLU 434 HB1 GLU 434 0.402 7.691 6.942 41 HG2 GLU 434 HG2 GLU 434 -0.194 7.877 4.644 42 HG3 GLU 434 HG1 GLU 434 -0.857 6.244 4.629 43 H TRP 435 HN TRP 435 1.927 4.870 3.879 44 HA TRP 435 HA TRP 435 0.507 2.404 4.568 45 HB2 TRP 435 HB2 TRP 435 1.658 3.220 1.889 46 HB3 TRP 435 HB1 TRP 435 0.716 1.774 2.241 47 HD1 TRP 435 HD1 TRP 435 -0.039 5.559 2.878 48 HE1 TRP 435 HE1 TRP 435 -2.405 6.014 1.965 49 HE3 TRP 435 HE3 TRP 435 -1.081 0.914 1.067 50 HZ2 TRP 435 HZ2 TRP 435 -4.448 4.577 0.627 51 HZ3 TRP 435 HZ3 TRP 435 -3.263 0.526 -0.026 52 HH2 TRP 435 HH2 TRP 435 -4.906 2.321 -0.240 53 H THR 436 HN THR 436 1.500 0.423 4.441 54 HA THR 436 HA THR 436 4.406 0.414 3.993 55 HB THR 436 HB THR 436 2.994 -1.350 6.002 56 HG1 THR 436 HG1 THR 436 4.210 1.198 6.295 57 HG21 THR 436 HG21 THR 436 5.912 -0.672 5.598 58 HG22 THR 436 HG22 THR 436 5.135 -2.190 5.148 59 HG23 THR 436 HG23 THR 436 5.261 -1.733 6.847 60 H GLU 437 HN GLU 437 4.873 -0.870 2.292 61 HA GLU 437 HA GLU 437 2.863 -2.769 1.403 62 HB2 GLU 437 HB2 GLU 437 4.538 -3.140 -0.519 63 HB3 GLU 437 HB1 GLU 437 3.646 -1.619 -0.453 64 HG2 GLU 437 HG2 GLU 437 5.462 -0.416 0.192 65 HG3 GLU 437 HG1 GLU 437 6.342 -1.822 0.798 66 H TYR 438 HN TYR 438 3.419 -4.881 0.794 67 HA TYR 438 HA TYR 438 5.412 -6.138 2.510 68 HB2 TYR 438 HB2 TYR 438 2.420 -6.629 2.688 69 HB3 TYR 438 HB1 TYR 438 3.627 -7.737 3.334 70 HD1 TYR 438 HD1 TYR 438 5.238 -6.808 5.109 71 HD2 TYR 438 HD2 TYR 438 1.618 -4.867 4.000 72 HE1 TYR 438 HE1 TYR 438 5.263 -5.566 7.229 73 HE2 TYR 438 HE2 TYR 438 1.635 -3.616 6.119 74 HH TYR 438 HH TYR 438 4.374 -3.566 8.208 75 H LYS 439 HN LYS 439 5.780 -8.352 1.718 76 HA LYS 439 HA LYS 439 4.732 -8.472 -1.014 77 HB2 LYS 439 HB2 LYS 439 7.251 -7.891 -0.568 78 HB3 LYS 439 HB1 LYS 439 7.390 -9.646 -0.410 79 HG2 LYS 439 HG2 LYS 439 7.755 -9.273 -2.693 80 HG3 LYS 439 HG1 LYS 439 6.044 -9.712 -2.578 81 HD2 LYS 439 HD2 LYS 439 6.191 -7.875 -4.013 82 HD3 LYS 439 HD1 LYS 439 5.370 -7.443 -2.563 83 HE2 LYS 439 HE2 LYS 439 8.336 -6.945 -2.786 84 HE3 LYS 439 HE1 LYS 439 7.213 -5.849 -3.585 85 HZ1 LYS 439 HZ1 LYS 439 7.256 -6.468 -0.673 86 HZ2 LYS 439 HZ2 LYS 439 6.172 -5.416 -1.445 87 HZ3 LYS 439 HZ3 LYS 439 7.823 -5.046 -1.401 88 H THR 440 HN THR 440 4.222 -10.357 -1.904 89 HA THR 440 HA THR 440 3.897 -12.625 -0.103 90 HB THR 440 HB THR 440 2.650 -13.668 -1.912 91 HG1 THR 440 HG1 THR 440 2.961 -13.085 -3.921 92 HG21 THR 440 HG21 THR 440 1.441 -12.050 -0.541 93 HG22 THR 440 HG22 THR 440 0.853 -12.018 -2.204 94 HG23 THR 440 HG23 THR 440 1.931 -10.747 -1.624 95 H ALA 441 HN ALA 441 4.773 -14.702 -0.553 96 HA ALA 441 HA ALA 441 7.487 -14.741 -1.074 97 HB1 ALA 441 HB1 ALA 441 6.300 -16.476 0.173 98 HB2 ALA 441 HB2 ALA 441 7.320 -17.160 -1.093 99 HB3 ALA 441 HB3 ALA 441 5.576 -17.052 -1.328 100 H ASP 442 HN ASP 442 4.854 -15.058 -3.357 101 HA ASP 442 HA ASP 442 6.539 -16.129 -5.446 102 HB2 ASP 442 HB2 ASP 442 4.566 -16.060 -6.848 103 HB3 ASP 442 HB1 ASP 442 4.138 -16.733 -5.278 104 H GLY 443 HN GLY 443 6.269 -13.115 -4.160 105 HA2 GLY 443 HA2 GLY 443 7.537 -11.287 -4.912 106 HA3 GLY 443 HA1 GLY 443 7.544 -11.980 -6.524 107 H LYS 444 HN LYS 444 5.097 -10.834 -4.217 108 HA LYS 444 HA LYS 444 4.076 -8.954 -6.269 109 HB2 LYS 444 HB2 LYS 444 2.619 -10.680 -4.363 110 HB3 LYS 444 HB1 LYS 444 1.910 -9.258 -5.081 111 HG2 LYS 444 HG2 LYS 444 2.364 -10.332 -7.343 112 HG3 LYS 444 HG1 LYS 444 2.737 -11.812 -6.455 113 HD2 LYS 444 HD2 LYS 444 0.495 -11.777 -5.466 114 HD3 LYS 444 HD1 LYS 444 0.127 -10.297 -6.354 115 HE2 LYS 444 HE2 LYS 444 -0.840 -12.083 -7.573 116 HE3 LYS 444 HE1 LYS 444 0.592 -11.576 -8.466 117 HZ1 LYS 444 HZ1 LYS 444 0.295 -13.967 -6.738 118 HZ2 LYS 444 HZ2 LYS 444 1.792 -13.429 -7.321 119 HZ3 LYS 444 HZ3 LYS 444 0.588 -13.924 -8.409 120 H THR 445 HN THR 445 3.980 -6.901 -5.423 121 HA THR 445 HA THR 445 4.210 -6.827 -2.513 122 HB THR 445 HB THR 445 5.711 -5.364 -3.966 123 HG1 THR 445 HG1 THR 445 5.513 -3.585 -2.516 124 HG21 THR 445 HG21 THR 445 4.808 -3.241 -4.812 125 HG22 THR 445 HG22 THR 445 3.179 -3.763 -4.384 126 HG23 THR 445 HG23 THR 445 4.081 -4.622 -5.634 127 H TYR 446 HN TYR 446 2.627 -5.638 -1.271 128 HA TYR 446 HA TYR 446 0.426 -4.383 -2.689 129 HB2 TYR 446 HB2 TYR 446 -1.256 -5.481 -1.191 130 HB3 TYR 446 HB1 TYR 446 -0.507 -6.553 -2.362 131 HD1 TYR 446 HD1 TYR 446 1.674 -7.817 -1.396 132 HD2 TYR 446 HD2 TYR 446 -1.540 -6.259 0.939 133 HE1 TYR 446 HE1 TYR 446 2.191 -9.420 0.403 134 HE2 TYR 446 HE2 TYR 446 -1.005 -7.838 2.743 135 HH TYR 446 HH TYR 446 1.857 -9.577 2.884 136 H TYR 447 HN TYR 447 -0.294 -2.592 -1.740 137 HA TYR 447 HA TYR 447 1.341 -1.661 0.473 138 HB2 TYR 447 HB2 TYR 447 -0.489 -0.198 -1.436 139 HB3 TYR 447 HB1 TYR 447 0.417 0.575 -0.145 140 HD1 TYR 447 HD2 TYR 447 0.772 -1.271 -3.333 141 HD2 TYR 447 HD1 TYR 447 2.691 1.074 -0.353 142 HE1 TYR 447 HE2 TYR 447 2.747 -1.051 -4.785 143 HE2 TYR 447 HE1 TYR 447 4.665 1.305 -1.790 144 HH TYR 447 HH TYR 447 5.725 0.017 -3.637 145 H TYR 448 HN TYR 448 0.663 -1.482 2.431 146 HA TYR 448 HA TYR 448 -2.178 -1.894 3.021 147 HB2 TYR 448 HB2 TYR 448 -0.802 -3.592 3.957 148 HB3 TYR 448 HB1 TYR 448 0.378 -2.427 4.530 149 HD1 TYR 448 HD1 TYR 448 -0.362 -0.831 6.390 150 HD2 TYR 448 HD2 TYR 448 -2.456 -4.395 5.376 151 HE1 TYR 448 HE1 TYR 448 -1.372 -0.883 8.642 152 HE2 TYR 448 HE2 TYR 448 -3.485 -4.444 7.608 153 HH TYR 448 HH TYR 448 -2.939 -3.587 9.885 154 H ASN 449 HN ASN 449 -3.296 -0.171 3.618 155 HA ASN 449 HA ASN 449 -1.948 2.233 4.561 156 HB2 ASN 449 HB2 ASN 449 -3.758 2.389 2.874 157 HB3 ASN 449 HB1 ASN 449 -4.886 1.713 4.046 158 HD21 ASN 449 HD21 ASN 449 -2.322 4.028 4.709 159 HD22 ASN 449 HD22 ASN 449 -3.365 5.340 5.165 160 H ASN 450 HN ASN 450 -1.664 2.630 6.646 161 HA ASN 450 HA ASN 450 -2.694 0.824 8.603 162 HB2 ASN 450 HB2 ASN 450 -0.922 3.249 8.773 163 HB3 ASN 450 HB1 ASN 450 -1.469 2.398 10.213 164 HD21 ASN 450 HD21 ASN 450 0.621 2.332 7.462 165 HD22 ASN 450 HD22 ASN 450 1.505 0.911 7.913 166 H ARG 451 HN ARG 451 -4.061 3.632 7.286 167 HA ARG 451 HA ARG 451 -5.227 4.439 9.834 168 HB2 ARG 451 HB2 ARG 451 -5.869 6.464 8.870 169 HB3 ARG 451 HB1 ARG 451 -4.316 6.114 8.129 170 HG2 ARG 451 HG2 ARG 451 -5.466 5.303 6.124 171 HG3 ARG 451 HG1 ARG 451 -7.020 5.682 6.874 172 HD2 ARG 451 HD2 ARG 451 -6.346 8.040 7.033 173 HD3 ARG 451 HD1 ARG 451 -4.820 7.648 6.245 174 HE ARG 451 HE ARG 451 -7.394 7.215 4.886 175 HH11 ARG 451 HH11 ARG 451 -4.137 8.510 4.941 176 HH12 ARG 451 HH12 ARG 451 -4.262 9.210 3.352 177 HH21 ARG 451 HH21 ARG 451 -7.535 8.141 2.778 178 HH22 ARG 451 HH22 ARG 451 -6.169 9.003 2.135 179 H THR 452 HN THR 452 -6.105 2.526 7.120 180 HA THR 452 HA THR 452 -8.747 2.238 8.324 181 HB THR 452 HB THR 452 -9.024 3.879 6.493 182 HG1 THR 452 HG1 THR 452 -10.298 1.580 5.506 183 HG21 THR 452 HG21 THR 452 -8.122 1.613 4.717 184 HG22 THR 452 HG22 THR 452 -7.269 3.132 4.992 185 HG23 THR 452 HG23 THR 452 -8.822 3.131 4.157 186 H LEU 453 HN LEU 453 -6.028 0.801 7.605 187 HA LEU 453 HA LEU 453 -5.361 -1.369 7.489 188 HB2 LEU 453 HB2 LEU 453 -8.279 -2.093 7.720 189 HB3 LEU 453 HB1 LEU 453 -6.904 -3.106 8.112 190 HG LEU 453 HG LEU 453 -7.725 -0.610 9.603 191 HD11 LEU 453 HD11 LEU 453 -7.953 -3.521 10.337 192 HD12 LEU 453 HD12 LEU 453 -9.283 -2.423 9.966 193 HD13 LEU 453 HD13 LEU 453 -8.300 -2.163 11.407 194 HD21 LEU 453 HD21 LEU 453 -5.554 -2.616 10.195 195 HD22 LEU 453 HD22 LEU 453 -6.032 -1.269 11.229 196 HD23 LEU 453 HD23 LEU 453 -5.312 -0.956 9.651 197 H GLU 454 HN GLU 454 -6.186 0.136 5.077 198 HA GLU 454 HA GLU 454 -7.535 -1.832 3.404 199 HB2 GLU 454 HB2 GLU 454 -8.279 0.518 3.355 200 HB3 GLU 454 HB1 GLU 454 -6.693 0.996 2.772 201 HG2 GLU 454 HG2 GLU 454 -7.041 -0.307 0.742 202 HG3 GLU 454 HG1 GLU 454 -8.632 -0.794 1.324 203 H SER 455 HN SER 455 -6.379 -3.272 2.274 204 HA SER 455 HA SER 455 -3.638 -2.523 1.476 205 HB2 SER 455 HB2 SER 455 -4.786 -5.308 1.774 206 HB3 SER 455 HB1 SER 455 -3.091 -4.876 1.532 207 HG SER 455 HG SER 455 -4.501 -3.847 3.733 208 H ASP 456 HN ASP 456 -3.253 -2.250 -0.637 209 HA ASP 456 HA ASP 456 -4.726 -3.858 -2.592 210 HB2 ASP 456 HB2 ASP 456 -5.856 -1.581 -2.315 211 HB3 ASP 456 HB1 ASP 456 -4.394 -0.881 -3.004 212 H TRP 457 HN TRP 457 -3.575 -4.180 -4.536 213 HA TRP 457 HA TRP 457 -0.738 -4.206 -4.158 214 HB2 TRP 457 HB2 TRP 457 -2.005 -4.802 -6.808 215 HB3 TRP 457 HB1 TRP 457 -0.638 -5.588 -6.025 216 HD1 TRP 457 HD1 TRP 457 -4.468 -5.520 -5.997 217 HE1 TRP 457 HE1 TRP 457 -5.327 -7.697 -4.919 218 HE3 TRP 457 HE3 TRP 457 0.002 -7.471 -4.455 219 HZ2 TRP 457 HZ2 TRP 457 -4.241 -9.947 -3.597 220 HZ3 TRP 457 HZ3 TRP 457 0.005 -9.640 -3.294 221 HH2 TRP 457 HH2 TRP 457 -2.075 -10.851 -2.873 222 H GLU 458 HN GLU 458 -2.950 -2.044 -5.621 223 HA GLU 458 HA GLU 458 -0.981 -0.941 -7.473 224 HB2 GLU 458 HB2 GLU 458 -3.920 -0.432 -7.020 225 HB3 GLU 458 HB1 GLU 458 -2.951 0.499 -8.150 226 HG2 GLU 458 HG2 GLU 458 -3.302 -2.482 -8.274 227 HG3 GLU 458 HG1 GLU 458 -4.259 -1.322 -9.197 228 H LYS 459 HN LYS 459 -0.110 1.081 -7.311 229 HA LYS 459 HA LYS 459 0.071 2.307 -4.772 230 HB2 LYS 459 HB2 LYS 459 0.857 3.229 -7.525 231 HB3 LYS 459 HB1 LYS 459 1.080 4.239 -6.109 232 HG2 LYS 459 HG2 LYS 459 2.466 2.396 -5.125 233 HG3 LYS 459 HG1 LYS 459 2.373 1.591 -6.694 234 HD2 LYS 459 HD2 LYS 459 4.436 2.905 -6.474 235 HD3 LYS 459 HD1 LYS 459 3.406 3.523 -7.766 236 HE2 LYS 459 HE2 LYS 459 2.538 5.231 -6.180 237 HE3 LYS 459 HE1 LYS 459 3.699 4.657 -4.985 238 HZ1 LYS 459 HZ1 LYS 459 5.492 5.244 -6.522 239 HZ2 LYS 459 HZ2 LYS 459 4.545 6.595 -6.121 240 HZ3 LYS 459 HZ3 LYS 459 4.354 5.849 -7.630 241 HA PRO 460 HA PRO 460 -3.678 4.769 -5.156 242 HB2 PRO 460 HB2 PRO 460 -3.723 5.606 -2.608 243 HB3 PRO 460 HB1 PRO 460 -4.167 3.948 -3.034 244 HG2 PRO 460 HG2 PRO 460 -1.574 4.993 -1.953 245 HG3 PRO 460 HG1 PRO 460 -2.485 3.548 -1.471 246 HD2 PRO 460 HD2 PRO 460 -0.343 3.475 -3.155 247 HD3 PRO 460 HD1 PRO 460 -1.674 2.303 -3.219 248 H GLN 461 HN GLN 461 -4.126 7.111 -4.711 249 HA GLN 461 HA GLN 461 -1.886 8.712 -5.525 250 HB2 GLN 461 HB2 GLN 461 -4.250 9.137 -6.242 251 HB3 GLN 461 HB1 GLN 461 -4.613 9.635 -4.596 252 HG2 GLN 461 HG2 GLN 461 -2.970 11.438 -4.787 253 HG3 GLN 461 HG1 GLN 461 -2.631 10.942 -6.444 254 HE21 GLN 461 HE21 GLN 461 -4.140 11.353 -8.042 255 HE22 GLN 461 HE22 GLN 461 -5.442 12.473 -7.821 256 H GLU 462 HN GLU 462 -3.058 7.588 -2.611 257 HA GLU 462 HA GLU 462 -2.233 9.735 -0.898 258 HB2 GLU 462 HB2 GLU 462 -2.802 6.835 -0.252 259 HB3 GLU 462 HB1 GLU 462 -2.668 8.143 0.914 260 HG2 GLU 462 HG2 GLU 462 -4.748 7.994 -1.254 261 HG3 GLU 462 HG1 GLU 462 -4.993 7.482 0.414 262 H LEU 463 HN LEU 463 -0.466 7.687 -2.759 263 HA LEU 463 HA LEU 463 1.895 8.037 -1.108 264 HB2 LEU 463 HB2 LEU 463 0.807 5.865 -0.432 265 HB3 LEU 463 HB1 LEU 463 1.099 5.284 -2.060 266 HG LEU 463 HG LEU 463 3.529 5.551 -1.702 267 HD11 LEU 463 HD11 LEU 463 4.364 5.920 0.574 268 HD12 LEU 463 HD12 LEU 463 2.718 6.249 1.115 269 HD13 LEU 463 HD13 LEU 463 3.494 7.322 -0.049 270 HD21 LEU 463 HD21 LEU 463 2.120 3.866 0.363 271 HD22 LEU 463 HD22 LEU 463 3.787 3.661 -0.177 272 HD23 LEU 463 HD23 LEU 463 2.456 3.404 -1.306 273 H LYS 464 HN LYS 464 0.743 8.829 -3.783 274 HA LYS 464 HA LYS 464 2.076 7.473 -5.850 275 HB2 LYS 464 HB2 LYS 464 1.616 9.527 -7.207 276 HB3 LYS 464 HB1 LYS 464 0.204 8.844 -6.414 277 HG2 LYS 464 HG2 LYS 464 0.306 10.559 -4.701 278 HG3 LYS 464 HG1 LYS 464 1.772 11.218 -5.428 279 HD2 LYS 464 HD2 LYS 464 0.510 11.683 -7.490 280 HD3 LYS 464 HD1 LYS 464 -0.953 11.081 -6.711 281 HE2 LYS 464 HE2 LYS 464 -0.907 13.498 -6.623 282 HE3 LYS 464 HE1 LYS 464 -0.736 12.834 -4.998 283 HZ1 LYS 464 HZ1 LYS 464 1.503 13.814 -6.689 284 HZ2 LYS 464 HZ2 LYS 464 1.633 13.235 -5.100 285 HZ3 LYS 464 HZ3 LYS 464 0.791 14.675 -5.413 Start of MODEL 16 1 H1 GLY 428 HT1 GLY 428 -1.683 16.164 9.971 2 H2 GLY 428 HT2 GLY 428 -2.109 14.795 10.880 3 H3 GLY 428 HT3 GLY 428 -2.798 16.305 11.241 4 HA2 GLY 428 HA1 GLY 428 -4.402 14.991 10.073 5 HA3 GLY 428 HA2 GLY 428 -3.878 16.330 9.062 6 H ALA 429 HN ALA 429 -3.504 15.791 7.018 7 HA ALA 429 HA ALA 429 -2.923 12.960 6.436 8 HB1 ALA 429 HB1 ALA 429 -4.186 15.055 4.671 9 HB2 ALA 429 HB2 ALA 429 -5.039 13.782 5.543 10 HB3 ALA 429 HB3 ALA 429 -3.922 13.363 4.245 11 H THR 430 HN THR 430 -0.999 15.281 7.012 12 HA THR 430 HA THR 430 0.385 15.816 4.594 13 HB THR 430 HB THR 430 2.310 16.380 6.188 14 HG1 THR 430 HG1 THR 430 2.048 15.856 8.214 15 HG21 THR 430 HG21 THR 430 -0.354 17.748 6.563 16 HG22 THR 430 HG22 THR 430 0.809 18.076 5.279 17 HG23 THR 430 HG23 THR 430 1.220 18.438 6.955 18 H ALA 431 HN ALA 431 0.768 13.402 7.133 19 HA ALA 431 HA ALA 431 3.122 12.259 5.937 20 HB1 ALA 431 HB1 ALA 431 2.999 10.630 7.745 21 HB2 ALA 431 HB2 ALA 431 1.411 11.244 8.202 22 HB3 ALA 431 HB3 ALA 431 2.833 12.274 8.364 23 H VAL 432 HN VAL 432 2.810 11.282 4.024 24 HA VAL 432 HA VAL 432 0.518 9.520 3.642 25 HB VAL 432 HB VAL 432 1.318 9.244 1.345 26 HG11 VAL 432 HG11 VAL 432 1.028 11.561 0.585 27 HG12 VAL 432 HG12 VAL 432 1.248 12.120 2.244 28 HG13 VAL 432 HG13 VAL 432 -0.142 11.116 1.828 29 HG21 VAL 432 HG21 VAL 432 3.596 11.040 2.169 30 HG22 VAL 432 HG22 VAL 432 3.245 10.516 0.522 31 HG23 VAL 432 HG23 VAL 432 3.717 9.333 1.743 32 H SER 433 HN SER 433 3.140 9.188 5.313 33 HA SER 433 HA SER 433 4.220 6.727 4.258 34 HB2 SER 433 HB2 SER 433 5.581 6.891 6.445 35 HB3 SER 433 HB1 SER 433 5.845 8.139 5.226 36 HG SER 433 HG SER 433 5.123 9.578 6.582 37 H GLU 434 HN GLU 434 1.389 7.176 5.487 38 HA GLU 434 HA GLU 434 1.259 5.524 7.796 39 HB2 GLU 434 HB2 GLU 434 -0.864 6.407 5.842 40 HB3 GLU 434 HB1 GLU 434 -1.206 5.486 7.299 41 HG2 GLU 434 HG2 GLU 434 -0.166 7.337 8.608 42 HG3 GLU 434 HG1 GLU 434 -0.083 8.266 7.115 43 H TRP 435 HN TRP 435 2.076 4.616 4.759 44 HA TRP 435 HA TRP 435 0.627 2.067 4.959 45 HB2 TRP 435 HB2 TRP 435 2.066 3.076 2.503 46 HB3 TRP 435 HB1 TRP 435 0.996 1.683 2.657 47 HD1 TRP 435 HD1 TRP 435 0.364 5.430 3.570 48 HE1 TRP 435 HE1 TRP 435 -1.846 6.111 2.442 49 HE3 TRP 435 HE3 TRP 435 -0.620 1.080 1.089 50 HZ2 TRP 435 HZ2 TRP 435 -3.762 4.940 0.711 51 HZ3 TRP 435 HZ3 TRP 435 -2.664 0.938 -0.285 52 HH2 TRP 435 HH2 TRP 435 -4.199 2.828 -0.465 53 H THR 436 HN THR 436 1.694 0.154 4.784 54 HA THR 436 HA THR 436 4.603 0.204 4.452 55 HB THR 436 HB THR 436 3.192 -1.507 6.520 56 HG1 THR 436 HG1 THR 436 4.312 1.047 6.656 57 HG21 THR 436 HG21 THR 436 6.124 -1.029 5.960 58 HG22 THR 436 HG22 THR 436 5.228 -2.504 5.602 59 HG23 THR 436 HG23 THR 436 5.475 -2.007 7.277 60 H GLU 437 HN GLU 437 5.045 -1.054 2.732 61 HA GLU 437 HA GLU 437 3.005 -2.936 1.889 62 HB2 GLU 437 HB2 GLU 437 4.482 -3.180 -0.179 63 HB3 GLU 437 HB1 GLU 437 3.620 -1.664 0.062 64 HG2 GLU 437 HG2 GLU 437 5.618 -0.843 -0.521 65 HG3 GLU 437 HG1 GLU 437 5.892 -0.970 1.211 66 H TYR 438 HN TYR 438 3.562 -5.030 1.110 67 HA TYR 438 HA TYR 438 5.557 -6.331 2.808 68 HB2 TYR 438 HB2 TYR 438 2.590 -6.987 2.810 69 HB3 TYR 438 HB1 TYR 438 3.836 -7.958 3.581 70 HD1 TYR 438 HD2 TYR 438 5.333 -6.578 5.313 71 HD2 TYR 438 HD1 TYR 438 1.377 -5.553 4.131 72 HE1 TYR 438 HE2 TYR 438 5.050 -5.293 7.391 73 HE2 TYR 438 HE1 TYR 438 1.084 -4.267 6.205 74 HH TYR 438 HH TYR 438 2.046 -4.242 8.503 75 H LYS 439 HN LYS 439 6.002 -8.517 1.905 76 HA LYS 439 HA LYS 439 4.921 -8.535 -0.823 77 HB2 LYS 439 HB2 LYS 439 7.443 -7.944 -0.399 78 HB3 LYS 439 HB1 LYS 439 7.602 -9.705 -0.325 79 HG2 LYS 439 HG2 LYS 439 7.894 -9.227 -2.601 80 HG3 LYS 439 HG1 LYS 439 6.186 -9.686 -2.451 81 HD2 LYS 439 HD2 LYS 439 6.331 -7.760 -3.812 82 HD3 LYS 439 HD1 LYS 439 5.472 -7.462 -2.344 83 HE2 LYS 439 HE2 LYS 439 8.419 -6.820 -2.510 84 HE3 LYS 439 HE1 LYS 439 7.230 -5.707 -3.180 85 HZ1 LYS 439 HZ1 LYS 439 7.455 -4.892 -1.068 86 HZ2 LYS 439 HZ2 LYS 439 7.754 -6.412 -0.375 87 HZ3 LYS 439 HZ3 LYS 439 6.177 -5.976 -0.817 88 H THR 440 HN THR 440 4.187 -10.340 -1.661 89 HA THR 440 HA THR 440 4.153 -12.725 0.022 90 HB THR 440 HB THR 440 2.726 -13.664 -1.854 91 HG1 THR 440 HG1 THR 440 2.834 -12.501 -3.620 92 HG21 THR 440 HG21 THR 440 0.739 -12.436 -1.174 93 HG22 THR 440 HG22 THR 440 1.743 -11.142 -0.523 94 HG23 THR 440 HG23 THR 440 1.778 -12.741 0.219 95 H ALA 441 HN ALA 441 4.856 -14.766 -0.714 96 HA ALA 441 HA ALA 441 7.485 -14.794 -1.556 97 HB1 ALA 441 HB1 ALA 441 7.284 -17.202 -1.680 98 HB2 ALA 441 HB2 ALA 441 5.525 -17.073 -1.722 99 HB3 ALA 441 HB3 ALA 441 6.411 -16.582 -0.278 100 H ASP 442 HN ASP 442 4.616 -14.926 -3.559 101 HA ASP 442 HA ASP 442 5.948 -16.038 -5.838 102 HB2 ASP 442 HB2 ASP 442 3.884 -15.738 -7.014 103 HB3 ASP 442 HB1 ASP 442 3.496 -16.283 -5.387 104 H GLY 443 HN GLY 443 6.225 -13.064 -4.451 105 HA2 GLY 443 HA2 GLY 443 7.628 -11.369 -5.287 106 HA3 GLY 443 HA1 GLY 443 7.388 -11.995 -6.911 107 H LYS 444 HN LYS 444 5.427 -10.606 -4.300 108 HA LYS 444 HA LYS 444 4.216 -8.704 -6.192 109 HB2 LYS 444 HB2 LYS 444 2.841 -10.626 -4.415 110 HB3 LYS 444 HB1 LYS 444 2.084 -9.176 -5.021 111 HG2 LYS 444 HG2 LYS 444 3.161 -11.417 -6.739 112 HG3 LYS 444 HG1 LYS 444 1.460 -11.183 -6.335 113 HD2 LYS 444 HD2 LYS 444 3.086 -9.062 -7.707 114 HD3 LYS 444 HD1 LYS 444 2.249 -10.329 -8.603 115 HE2 LYS 444 HE2 LYS 444 0.901 -8.478 -6.646 116 HE3 LYS 444 HE1 LYS 444 0.981 -8.181 -8.381 117 HZ1 LYS 444 HZ1 LYS 444 -1.100 -9.207 -7.862 118 HZ2 LYS 444 HZ2 LYS 444 -0.345 -10.481 -7.033 119 HZ3 LYS 444 HZ3 LYS 444 -0.158 -10.335 -8.712 120 H THR 445 HN THR 445 4.126 -6.740 -5.213 121 HA THR 445 HA THR 445 4.327 -6.813 -2.294 122 HB THR 445 HB THR 445 5.862 -5.256 -3.478 123 HG1 THR 445 HG1 THR 445 5.587 -3.684 -2.001 124 HG21 THR 445 HG21 THR 445 4.476 -4.710 -5.427 125 HG22 THR 445 HG22 THR 445 5.035 -3.248 -4.612 126 HG23 THR 445 HG23 THR 445 3.376 -3.801 -4.390 127 H TYR 446 HN TYR 446 2.739 -5.738 -1.019 128 HA TYR 446 HA TYR 446 0.515 -4.458 -2.393 129 HB2 TYR 446 HB2 TYR 446 -1.084 -5.533 -0.761 130 HB3 TYR 446 HB1 TYR 446 -0.423 -6.597 -1.991 131 HD1 TYR 446 HD2 TYR 446 1.816 -7.890 -1.188 132 HD2 TYR 446 HD1 TYR 446 -1.205 -6.313 1.381 133 HE1 TYR 446 HE2 TYR 446 2.458 -9.494 0.572 134 HE2 TYR 446 HE1 TYR 446 -0.557 -7.906 3.135 135 HH TYR 446 HH TYR 446 2.310 -9.741 2.992 136 H TYR 447 HN TYR 447 -0.076 -2.599 -1.497 137 HA TYR 447 HA TYR 447 1.606 -1.688 0.696 138 HB2 TYR 447 HB2 TYR 447 -0.342 -0.047 -0.932 139 HB3 TYR 447 HB1 TYR 447 0.974 0.542 0.068 140 HD1 TYR 447 HD1 TYR 447 3.341 0.185 -0.690 141 HD2 TYR 447 HD2 TYR 447 0.002 -0.633 -3.196 142 HE1 TYR 447 HE1 TYR 447 4.807 0.275 -2.663 143 HE2 TYR 447 HE2 TYR 447 1.458 -0.553 -5.175 144 HH TYR 447 HH TYR 447 4.855 -0.560 -4.966 145 H TYR 448 HN TYR 448 0.891 -1.677 2.685 146 HA TYR 448 HA TYR 448 -1.974 -1.960 3.164 147 HB2 TYR 448 HB2 TYR 448 -0.503 -3.633 4.168 148 HB3 TYR 448 HB1 TYR 448 0.417 -2.371 4.974 149 HD1 TYR 448 HD2 TYR 448 -1.050 -0.791 6.522 150 HD2 TYR 448 HD1 TYR 448 -2.095 -4.749 5.369 151 HE1 TYR 448 HE2 TYR 448 -2.525 -0.986 8.501 152 HE2 TYR 448 HE1 TYR 448 -3.566 -4.955 7.322 153 HH TYR 448 HH TYR 448 -3.698 -3.883 9.640 154 H ASN 449 HN ASN 449 -3.067 -0.169 3.570 155 HA ASN 449 HA ASN 449 -1.725 2.187 4.649 156 HB2 ASN 449 HB2 ASN 449 -3.324 2.493 2.807 157 HB3 ASN 449 HB1 ASN 449 -4.597 1.770 3.786 158 HD21 ASN 449 HD21 ASN 449 -2.115 4.022 4.890 159 HD22 ASN 449 HD22 ASN 449 -3.206 5.304 5.283 160 H ASN 450 HN ASN 450 -1.581 2.453 6.783 161 HA ASN 450 HA ASN 450 -3.160 0.887 8.595 162 HB2 ASN 450 HB2 ASN 450 -1.109 3.060 9.007 163 HB3 ASN 450 HB1 ASN 450 -1.953 2.292 10.348 164 HD21 ASN 450 HD21 ASN 450 0.430 1.915 7.863 165 HD22 ASN 450 HD22 ASN 450 1.071 0.409 8.422 166 H ARG 451 HN ARG 451 -3.964 3.557 6.876 167 HA ARG 451 HA ARG 451 -5.318 4.969 9.020 168 HB2 ARG 451 HB2 ARG 451 -4.111 6.155 7.155 169 HB3 ARG 451 HB1 ARG 451 -5.380 5.605 6.070 170 HG2 ARG 451 HG2 ARG 451 -7.014 6.912 7.152 171 HG3 ARG 451 HG1 ARG 451 -5.958 7.223 8.531 172 HD2 ARG 451 HD2 ARG 451 -6.001 9.199 7.206 173 HD3 ARG 451 HD1 ARG 451 -4.428 8.441 6.975 174 HE ARG 451 HE ARG 451 -6.550 7.964 5.012 175 HH11 ARG 451 HH11 ARG 451 -3.372 9.234 5.806 176 HH12 ARG 451 HH12 ARG 451 -3.038 9.720 4.165 177 HH21 ARG 451 HH21 ARG 451 -6.089 8.573 2.868 178 HH22 ARG 451 HH22 ARG 451 -4.574 9.367 2.500 179 H THR 452 HN THR 452 -6.051 2.534 6.701 180 HA THR 452 HA THR 452 -8.781 2.542 7.717 181 HB THR 452 HB THR 452 -8.980 3.786 5.629 182 HG1 THR 452 HG1 THR 452 -9.995 1.134 5.640 183 HG21 THR 452 HG21 THR 452 -6.989 2.971 4.487 184 HG22 THR 452 HG22 THR 452 -8.418 2.772 3.473 185 HG23 THR 452 HG23 THR 452 -7.729 1.380 4.308 186 H LEU 453 HN LEU 453 -6.054 1.019 7.526 187 HA LEU 453 HA LEU 453 -5.325 -1.115 7.725 188 HB2 LEU 453 HB2 LEU 453 -8.235 -1.789 8.137 189 HB3 LEU 453 HB1 LEU 453 -6.858 -2.741 8.653 190 HG LEU 453 HG LEU 453 -7.660 -0.039 9.740 191 HD11 LEU 453 HD11 LEU 453 -8.126 -1.267 11.793 192 HD12 LEU 453 HD12 LEU 453 -7.714 -2.781 10.987 193 HD13 LEU 453 HD13 LEU 453 -9.118 -1.854 10.458 194 HD21 LEU 453 HD21 LEU 453 -5.385 -1.850 10.541 195 HD22 LEU 453 HD22 LEU 453 -5.871 -0.372 11.371 196 HD23 LEU 453 HD23 LEU 453 -5.235 -0.291 9.729 197 H GLU 454 HN GLU 454 -6.201 -0.091 5.094 198 HA GLU 454 HA GLU 454 -7.291 -2.472 3.812 199 HB2 GLU 454 HB2 GLU 454 -8.449 -0.329 3.429 200 HB3 GLU 454 HB1 GLU 454 -6.981 0.322 2.713 201 HG2 GLU 454 HG2 GLU 454 -8.592 -0.356 1.019 202 HG3 GLU 454 HG1 GLU 454 -7.109 -1.305 0.920 203 H SER 455 HN SER 455 -6.213 -3.593 2.230 204 HA SER 455 HA SER 455 -3.432 -2.753 1.717 205 HB2 SER 455 HB2 SER 455 -4.572 -5.556 1.673 206 HB3 SER 455 HB1 SER 455 -2.878 -5.113 1.452 207 HG SER 455 HG SER 455 -4.444 -4.734 3.788 208 H ASP 456 HN ASP 456 -3.040 -2.120 -0.318 209 HA ASP 456 HA ASP 456 -4.695 -3.274 -2.473 210 HB2 ASP 456 HB2 ASP 456 -5.322 -0.887 -1.709 211 HB3 ASP 456 HB1 ASP 456 -3.818 -0.395 -2.485 212 H TRP 457 HN TRP 457 -3.648 -3.538 -4.474 213 HA TRP 457 HA TRP 457 -0.768 -3.834 -4.209 214 HB2 TRP 457 HB2 TRP 457 -2.269 -4.474 -6.727 215 HB3 TRP 457 HB1 TRP 457 -0.847 -5.258 -6.052 216 HD1 TRP 457 HD1 TRP 457 -4.655 -5.128 -5.662 217 HE1 TRP 457 HE1 TRP 457 -5.426 -7.294 -4.488 218 HE3 TRP 457 HE3 TRP 457 -0.079 -7.121 -4.529 219 HZ2 TRP 457 HZ2 TRP 457 -4.245 -9.540 -3.248 220 HZ3 TRP 457 HZ3 TRP 457 0.011 -9.277 -3.350 221 HH2 TRP 457 HH2 TRP 457 -2.027 -10.461 -2.725 222 H GLU 458 HN GLU 458 -2.894 -1.508 -5.338 223 HA GLU 458 HA GLU 458 -1.148 -0.639 -7.525 224 HB2 GLU 458 HB2 GLU 458 -3.924 0.301 -6.797 225 HB3 GLU 458 HB1 GLU 458 -3.034 0.694 -8.256 226 HG2 GLU 458 HG2 GLU 458 -3.079 -1.683 -8.895 227 HG3 GLU 458 HG1 GLU 458 -4.070 -2.013 -7.472 228 H LYS 459 HN LYS 459 -0.670 1.627 -7.742 229 HA LYS 459 HA LYS 459 -0.123 2.871 -5.166 230 HB2 LYS 459 HB2 LYS 459 0.711 3.668 -7.964 231 HB3 LYS 459 HB1 LYS 459 1.247 4.451 -6.483 232 HG2 LYS 459 HG2 LYS 459 2.367 2.443 -5.769 233 HG3 LYS 459 HG1 LYS 459 1.731 1.557 -7.156 234 HD2 LYS 459 HD2 LYS 459 4.016 2.151 -7.599 235 HD3 LYS 459 HD1 LYS 459 2.967 3.104 -8.648 236 HE2 LYS 459 HE2 LYS 459 4.805 4.431 -7.682 237 HE3 LYS 459 HE1 LYS 459 3.218 5.030 -7.209 238 HZ1 LYS 459 HZ1 LYS 459 3.478 4.269 -5.063 239 HZ2 LYS 459 HZ2 LYS 459 5.044 4.801 -5.438 240 HZ3 LYS 459 HZ3 LYS 459 4.678 3.149 -5.479 241 HA PRO 460 HA PRO 460 -3.819 5.312 -5.906 242 HB2 PRO 460 HB2 PRO 460 -4.300 5.932 -3.363 243 HB3 PRO 460 HB1 PRO 460 -4.520 4.273 -3.940 244 HG2 PRO 460 HG2 PRO 460 -2.236 5.458 -2.406 245 HG3 PRO 460 HG1 PRO 460 -3.045 3.900 -2.179 246 HD2 PRO 460 HD2 PRO 460 -0.674 4.246 -3.545 247 HD3 PRO 460 HD1 PRO 460 -1.781 2.878 -3.778 248 H GLN 461 HN GLN 461 -4.494 7.564 -4.959 249 HA GLN 461 HA GLN 461 -2.571 9.448 -5.793 250 HB2 GLN 461 HB2 GLN 461 -5.133 9.643 -5.724 251 HB3 GLN 461 HB1 GLN 461 -4.932 10.087 -4.036 252 HG2 GLN 461 HG2 GLN 461 -5.152 12.060 -5.403 253 HG3 GLN 461 HG1 GLN 461 -3.534 11.978 -4.706 254 HE21 GLN 461 HE21 GLN 461 -5.417 11.722 -7.615 255 HE22 GLN 461 HE22 GLN 461 -4.086 11.816 -8.722 256 H GLU 462 HN GLU 462 -2.787 7.777 -2.909 257 HA GLU 462 HA GLU 462 -1.601 9.855 -1.242 258 HB2 GLU 462 HB2 GLU 462 -2.248 6.988 -0.537 259 HB3 GLU 462 HB1 GLU 462 -1.875 8.290 0.583 260 HG2 GLU 462 HG2 GLU 462 -4.297 8.177 -1.197 261 HG3 GLU 462 HG1 GLU 462 -4.264 7.742 0.512 262 H LEU 463 HN LEU 463 -0.514 7.553 -3.412 263 HA LEU 463 HA LEU 463 2.167 7.514 -2.328 264 HB2 LEU 463 HB2 LEU 463 0.894 5.740 -1.072 265 HB3 LEU 463 HB1 LEU 463 0.654 4.912 -2.598 266 HG LEU 463 HG LEU 463 3.112 4.672 -2.828 267 HD11 LEU 463 HD11 LEU 463 4.537 5.118 -0.889 268 HD12 LEU 463 HD12 LEU 463 3.161 5.823 -0.039 269 HD13 LEU 463 HD13 LEU 463 3.790 6.597 -1.494 270 HD21 LEU 463 HD21 LEU 463 1.779 2.872 -1.876 271 HD22 LEU 463 HD22 LEU 463 1.934 3.585 -0.271 272 HD23 LEU 463 HD23 LEU 463 3.359 2.955 -1.097 273 H LYS 464 HN LYS 464 0.827 8.361 -4.769 274 HA LYS 464 HA LYS 464 1.538 6.396 -6.787 275 HB2 LYS 464 HB2 LYS 464 -0.576 7.675 -6.949 276 HB3 LYS 464 HB1 LYS 464 0.352 9.161 -7.090 277 HG2 LYS 464 HG2 LYS 464 1.434 8.057 -9.136 278 HG3 LYS 464 HG1 LYS 464 0.086 6.920 -9.057 279 HD2 LYS 464 HD2 LYS 464 -0.394 8.764 -10.590 280 HD3 LYS 464 HD1 LYS 464 -1.495 8.776 -9.210 281 HE2 LYS 464 HE2 LYS 464 -0.605 11.025 -9.849 282 HE3 LYS 464 HE1 LYS 464 -0.304 10.562 -8.176 283 HZ1 LYS 464 HZ1 LYS 464 1.951 10.086 -8.663 284 HZ2 LYS 464 HZ2 LYS 464 1.618 11.591 -9.374 285 HZ3 LYS 464 HZ3 LYS 464 1.698 10.201 -10.339 Start of MODEL 17 1 H1 GLY 428 HT1 GLY 428 13.005 -5.520 -5.167 2 H2 GLY 428 HT2 GLY 428 11.646 -4.856 -5.926 3 H3 GLY 428 HT3 GLY 428 11.521 -5.468 -4.349 4 HA2 GLY 428 HA1 GLY 428 13.046 -3.756 -3.556 5 HA3 GLY 428 HA2 GLY 428 13.110 -3.108 -5.189 6 H ALA 429 HN ALA 429 12.357 -1.533 -3.078 7 HA ALA 429 HA ALA 429 9.727 -0.699 -3.890 8 HB1 ALA 429 HB1 ALA 429 10.141 -1.656 -1.056 9 HB2 ALA 429 HB2 ALA 429 9.112 -2.413 -2.272 10 HB3 ALA 429 HB3 ALA 429 8.713 -0.810 -1.656 11 H THR 430 HN THR 430 9.767 1.456 -3.893 12 HA THR 430 HA THR 430 11.581 2.812 -2.020 13 HB THR 430 HB THR 430 11.856 4.554 -3.852 14 HG1 THR 430 HG1 THR 430 10.082 3.700 -5.143 15 HG21 THR 430 HG21 THR 430 12.943 1.776 -4.326 16 HG22 THR 430 HG22 THR 430 13.644 3.004 -3.274 17 HG23 THR 430 HG23 THR 430 13.599 3.261 -5.018 18 H ALA 431 HN ALA 431 10.688 4.275 -0.784 19 HA ALA 431 HA ALA 431 9.452 6.027 -0.057 20 HB1 ALA 431 HB1 ALA 431 8.214 6.094 -2.799 21 HB2 ALA 431 HB2 ALA 431 9.655 6.979 -2.299 22 HB3 ALA 431 HB3 ALA 431 8.094 7.348 -1.564 23 H VAL 432 HN VAL 432 7.957 5.814 1.385 24 HA VAL 432 HA VAL 432 5.297 4.995 0.701 25 HB VAL 432 HB VAL 432 6.434 2.805 1.076 26 HG11 VAL 432 HG11 VAL 432 7.033 2.140 3.361 27 HG12 VAL 432 HG12 VAL 432 6.757 3.795 3.904 28 HG13 VAL 432 HG13 VAL 432 8.054 3.447 2.760 29 HG21 VAL 432 HG21 VAL 432 4.039 3.055 1.407 30 HG22 VAL 432 HG22 VAL 432 4.312 3.514 3.087 31 HG23 VAL 432 HG23 VAL 432 4.719 1.888 2.542 32 H SER 433 HN SER 433 3.806 5.816 2.156 33 HA SER 433 HA SER 433 4.942 7.706 4.063 34 HB2 SER 433 HB2 SER 433 2.562 8.632 4.014 35 HB3 SER 433 HB1 SER 433 3.482 8.741 2.511 36 HG SER 433 HG SER 433 1.202 7.878 2.467 37 H GLU 434 HN GLU 434 1.662 6.824 4.551 38 HA GLU 434 HA GLU 434 2.330 5.863 7.225 39 HB2 GLU 434 HB2 GLU 434 -0.110 6.113 7.642 40 HB3 GLU 434 HB1 GLU 434 0.649 7.603 7.096 41 HG2 GLU 434 HG2 GLU 434 -0.360 7.510 5.018 42 HG3 GLU 434 HG1 GLU 434 -0.662 5.778 5.132 43 H TRP 435 HN TRP 435 2.260 4.406 4.435 44 HA TRP 435 HA TRP 435 0.457 2.213 5.115 45 HB2 TRP 435 HB2 TRP 435 2.022 2.692 2.569 46 HB3 TRP 435 HB1 TRP 435 0.831 1.417 2.850 47 HD1 TRP 435 HD1 TRP 435 0.605 5.295 3.333 48 HE1 TRP 435 HE1 TRP 435 -1.544 6.086 2.159 49 HE3 TRP 435 HE3 TRP 435 -0.953 0.823 1.442 50 HZ2 TRP 435 HZ2 TRP 435 -3.631 4.947 0.617 51 HZ3 TRP 435 HZ3 TRP 435 -3.035 0.750 0.128 52 HH2 TRP 435 HH2 TRP 435 -4.347 2.769 -0.274 53 H THR 436 HN THR 436 1.143 0.079 5.198 54 HA THR 436 HA THR 436 4.053 -0.305 5.464 55 HB THR 436 HB THR 436 1.948 -1.916 6.922 56 HG1 THR 436 HG1 THR 436 3.437 0.337 7.878 57 HG21 THR 436 HG21 THR 436 4.913 -1.536 7.377 58 HG22 THR 436 HG22 THR 436 4.147 -2.966 6.687 59 HG23 THR 436 HG23 THR 436 3.841 -2.527 8.368 60 H GLU 437 HN GLU 437 4.568 -1.221 3.532 61 HA GLU 437 HA GLU 437 2.689 -3.078 2.335 62 HB2 GLU 437 HB2 GLU 437 4.207 -3.037 0.356 63 HB3 GLU 437 HB1 GLU 437 3.484 -1.487 0.782 64 HG2 GLU 437 HG2 GLU 437 5.527 -0.720 0.504 65 HG3 GLU 437 HG1 GLU 437 5.814 -1.338 2.130 66 H TYR 438 HN TYR 438 3.383 -5.071 1.431 67 HA TYR 438 HA TYR 438 5.364 -6.449 3.079 68 HB2 TYR 438 HB2 TYR 438 2.436 -7.234 2.911 69 HB3 TYR 438 HB1 TYR 438 3.706 -8.227 3.612 70 HD1 TYR 438 HD1 TYR 438 5.026 -7.110 5.599 71 HD2 TYR 438 HD2 TYR 438 1.168 -5.889 4.285 72 HE1 TYR 438 HE1 TYR 438 4.600 -6.100 7.801 73 HE2 TYR 438 HE2 TYR 438 0.737 -4.870 6.478 74 HH TYR 438 HH TYR 438 1.528 -5.154 8.815 75 H LYS 439 HN LYS 439 5.948 -8.504 1.973 76 HA LYS 439 HA LYS 439 4.970 -8.287 -0.789 77 HB2 LYS 439 HB2 LYS 439 7.438 -7.640 -0.199 78 HB3 LYS 439 HB1 LYS 439 7.679 -9.390 -0.289 79 HG2 LYS 439 HG2 LYS 439 8.044 -8.688 -2.485 80 HG3 LYS 439 HG1 LYS 439 6.350 -9.219 -2.465 81 HD2 LYS 439 HD2 LYS 439 6.465 -7.180 -3.631 82 HD3 LYS 439 HD1 LYS 439 5.553 -7.026 -2.176 83 HE2 LYS 439 HE2 LYS 439 8.481 -6.332 -2.082 84 HE3 LYS 439 HE1 LYS 439 7.377 -5.204 -2.865 85 HZ1 LYS 439 HZ1 LYS 439 6.049 -5.266 -0.757 86 HZ2 LYS 439 HZ2 LYS 439 7.563 -4.533 -0.625 87 HZ3 LYS 439 HZ3 LYS 439 7.330 -6.103 -0.032 88 H THR 440 HN THR 440 4.390 -10.013 -1.875 89 HA THR 440 HA THR 440 4.229 -12.548 -0.448 90 HB THR 440 HB THR 440 2.937 -13.294 -2.480 91 HG1 THR 440 HG1 THR 440 3.077 -12.053 -4.178 92 HG21 THR 440 HG21 THR 440 1.803 -12.438 -0.475 93 HG22 THR 440 HG22 THR 440 0.932 -12.010 -1.948 94 HG23 THR 440 HG23 THR 440 1.914 -10.801 -1.121 95 H ALA 441 HN ALA 441 5.021 -14.511 -1.310 96 HA ALA 441 HA ALA 441 7.682 -14.479 -2.027 97 HB1 ALA 441 HB1 ALA 441 7.471 -16.857 -2.437 98 HB2 ALA 441 HB2 ALA 441 5.718 -16.700 -2.548 99 HB3 ALA 441 HB3 ALA 441 6.537 -16.391 -1.017 100 H ASP 442 HN ASP 442 4.886 -14.509 -4.172 101 HA ASP 442 HA ASP 442 6.357 -15.251 -6.503 102 HB2 ASP 442 HB2 ASP 442 4.359 -14.935 -7.726 103 HB3 ASP 442 HB1 ASP 442 3.850 -15.528 -6.150 104 H GLY 443 HN GLY 443 6.445 -12.453 -4.751 105 HA2 GLY 443 HA2 GLY 443 7.882 -10.672 -5.270 106 HA3 GLY 443 HA1 GLY 443 7.782 -11.110 -6.968 107 H LYS 444 HN LYS 444 5.422 -10.191 -4.473 108 HA LYS 444 HA LYS 444 4.558 -7.926 -6.169 109 HB2 LYS 444 HB2 LYS 444 2.922 -9.870 -4.679 110 HB3 LYS 444 HB1 LYS 444 2.316 -8.338 -5.242 111 HG2 LYS 444 HG2 LYS 444 3.109 -9.210 -7.590 112 HG3 LYS 444 HG1 LYS 444 3.000 -10.791 -6.814 113 HD2 LYS 444 HD2 LYS 444 0.768 -8.767 -6.932 114 HD3 LYS 444 HD1 LYS 444 0.932 -10.146 -8.019 115 HE2 LYS 444 HE2 LYS 444 0.790 -10.435 -5.030 116 HE3 LYS 444 HE1 LYS 444 -0.647 -10.419 -6.053 117 HZ1 LYS 444 HZ1 LYS 444 1.604 -12.355 -6.227 118 HZ2 LYS 444 HZ2 LYS 444 0.252 -12.325 -7.254 119 HZ3 LYS 444 HZ3 LYS 444 0.055 -12.667 -5.605 120 H THR 445 HN THR 445 4.271 -6.100 -5.008 121 HA THR 445 HA THR 445 4.375 -6.446 -2.104 122 HB THR 445 HB THR 445 5.884 -4.742 -3.078 123 HG1 THR 445 HG1 THR 445 5.445 -3.231 -1.542 124 HG21 THR 445 HG21 THR 445 4.984 -2.655 -4.051 125 HG22 THR 445 HG22 THR 445 3.368 -3.359 -4.024 126 HG23 THR 445 HG23 THR 445 4.621 -4.068 -5.041 127 H TYR 446 HN TYR 446 2.697 -5.603 -0.812 128 HA TYR 446 HA TYR 446 0.471 -4.280 -2.150 129 HB2 TYR 446 HB2 TYR 446 -1.101 -5.500 -0.581 130 HB3 TYR 446 HB1 TYR 446 -0.427 -6.452 -1.895 131 HD1 TYR 446 HD1 TYR 446 1.870 -7.729 -1.204 132 HD2 TYR 446 HD2 TYR 446 -1.205 -6.465 1.478 133 HE1 TYR 446 HE1 TYR 446 2.532 -9.476 0.402 134 HE2 TYR 446 HE2 TYR 446 -0.510 -8.174 3.096 135 HH TYR 446 HH TYR 446 0.657 -10.320 3.114 136 H TYR 447 HN TYR 447 -0.031 -2.454 -1.219 137 HA TYR 447 HA TYR 447 1.489 -1.743 1.155 138 HB2 TYR 447 HB2 TYR 447 -0.156 -0.035 -0.737 139 HB3 TYR 447 HB1 TYR 447 0.798 0.578 0.607 140 HD1 TYR 447 HD1 TYR 447 0.995 -0.985 -2.733 141 HD2 TYR 447 HD2 TYR 447 3.151 0.846 0.444 142 HE1 TYR 447 HE1 TYR 447 2.960 -0.776 -4.192 143 HE2 TYR 447 HE2 TYR 447 5.122 1.056 -1.005 144 HH TYR 447 HH TYR 447 6.033 -0.099 -3.037 145 H TYR 448 HN TYR 448 0.602 -1.832 3.081 146 HA TYR 448 HA TYR 448 -2.290 -2.083 3.294 147 HB2 TYR 448 HB2 TYR 448 -1.115 -3.789 4.443 148 HB3 TYR 448 HB1 TYR 448 0.009 -2.654 5.165 149 HD1 TYR 448 HD1 TYR 448 -1.003 -0.966 6.865 150 HD2 TYR 448 HD2 TYR 448 -2.942 -4.544 5.626 151 HE1 TYR 448 HE1 TYR 448 -2.373 -0.936 8.915 152 HE2 TYR 448 HE2 TYR 448 -4.321 -4.517 7.657 153 HH TYR 448 HH TYR 448 -4.200 -3.589 9.942 154 H ASN 449 HN ASN 449 -3.481 -0.370 3.750 155 HA ASN 449 HA ASN 449 -2.171 2.066 4.639 156 HB2 ASN 449 HB2 ASN 449 -3.768 2.150 2.759 157 HB3 ASN 449 HB1 ASN 449 -5.045 1.573 3.826 158 HD21 ASN 449 HD21 ASN 449 -2.531 3.867 4.689 159 HD22 ASN 449 HD22 ASN 449 -3.581 5.216 4.940 160 H ASN 450 HN ASN 450 -1.954 2.395 6.742 161 HA ASN 450 HA ASN 450 -3.490 0.997 8.691 162 HB2 ASN 450 HB2 ASN 450 -1.510 3.268 8.925 163 HB3 ASN 450 HB1 ASN 450 -2.286 2.522 10.317 164 HD21 ASN 450 HD21 ASN 450 0.109 2.199 7.851 165 HD22 ASN 450 HD22 ASN 450 0.822 0.732 8.445 166 H ARG 451 HN ARG 451 -4.204 3.632 6.816 167 HA ARG 451 HA ARG 451 -5.644 5.182 8.748 168 HB2 ARG 451 HB2 ARG 451 -4.575 6.115 6.682 169 HB3 ARG 451 HB1 ARG 451 -5.818 5.309 5.737 170 HG2 ARG 451 HG2 ARG 451 -7.519 6.685 6.630 171 HG3 ARG 451 HG1 ARG 451 -6.440 7.325 7.876 172 HD2 ARG 451 HD2 ARG 451 -6.678 8.970 6.146 173 HD3 ARG 451 HD1 ARG 451 -5.044 8.319 6.089 174 HE ARG 451 HE ARG 451 -7.130 7.326 4.256 175 HH11 ARG 451 HH11 ARG 451 -3.925 8.657 4.808 176 HH12 ARG 451 HH12 ARG 451 -3.543 8.767 3.110 177 HH21 ARG 451 HH21 ARG 451 -6.601 7.449 2.032 178 HH22 ARG 451 HH22 ARG 451 -5.062 8.080 1.544 179 H THR 452 HN THR 452 -6.409 2.495 6.633 180 HA THR 452 HA THR 452 -9.152 2.624 7.648 181 HB THR 452 HB THR 452 -9.221 3.569 5.396 182 HG1 THR 452 HG1 THR 452 -10.362 1.260 4.613 183 HG21 THR 452 HG21 THR 452 -8.622 2.223 3.433 184 HG22 THR 452 HG22 THR 452 -7.997 0.964 4.499 185 HG23 THR 452 HG23 THR 452 -7.225 2.550 4.458 186 H LEU 453 HN LEU 453 -6.400 1.057 7.656 187 HA LEU 453 HA LEU 453 -5.699 -1.027 8.184 188 HB2 LEU 453 HB2 LEU 453 -8.633 -1.659 8.537 189 HB3 LEU 453 HB1 LEU 453 -7.287 -2.592 9.164 190 HG LEU 453 HG LEU 453 -8.019 0.214 10.012 191 HD11 LEU 453 HD11 LEU 453 -8.653 -0.836 12.130 192 HD12 LEU 453 HD12 LEU 453 -8.329 -2.424 11.435 193 HD13 LEU 453 HD13 LEU 453 -9.631 -1.427 10.788 194 HD21 LEU 453 HD21 LEU 453 -5.634 -0.133 10.174 195 HD22 LEU 453 HD22 LEU 453 -5.882 -1.661 11.017 196 HD23 LEU 453 HD23 LEU 453 -6.350 -0.143 11.787 197 H GLU 454 HN GLU 454 -6.667 -0.252 5.409 198 HA GLU 454 HA GLU 454 -7.267 -2.928 4.407 199 HB2 GLU 454 HB2 GLU 454 -7.968 -0.249 3.230 200 HB3 GLU 454 HB1 GLU 454 -8.195 -1.771 2.380 201 HG2 GLU 454 HG2 GLU 454 -9.714 -2.524 4.152 202 HG3 GLU 454 HG1 GLU 454 -9.506 -0.976 4.971 203 H SER 455 HN SER 455 -5.928 -3.896 3.009 204 HA SER 455 HA SER 455 -3.571 -2.378 2.129 205 HB2 SER 455 HB2 SER 455 -3.206 -4.392 3.566 206 HB3 SER 455 HB1 SER 455 -3.931 -5.380 2.299 207 HG SER 455 HG SER 455 -1.914 -3.720 1.432 208 H ASP 456 HN ASP 456 -3.093 -2.168 -0.001 209 HA ASP 456 HA ASP 456 -4.649 -3.708 -1.966 210 HB2 ASP 456 HB2 ASP 456 -5.623 -1.360 -1.497 211 HB3 ASP 456 HB1 ASP 456 -4.188 -0.743 -2.306 212 H TRP 457 HN TRP 457 -3.566 -4.053 -3.936 213 HA TRP 457 HA TRP 457 -0.684 -3.914 -3.785 214 HB2 TRP 457 HB2 TRP 457 -2.125 -4.707 -6.290 215 HB3 TRP 457 HB1 TRP 457 -0.631 -5.344 -5.619 216 HD1 TRP 457 HD1 TRP 457 -4.429 -5.636 -5.273 217 HE1 TRP 457 HE1 TRP 457 -4.982 -7.874 -4.121 218 HE3 TRP 457 HE3 TRP 457 0.314 -7.110 -4.075 219 HZ2 TRP 457 HZ2 TRP 457 -3.582 -9.978 -2.862 220 HZ3 TRP 457 HZ3 TRP 457 0.622 -9.251 -2.900 221 HH2 TRP 457 HH2 TRP 457 -1.288 -10.654 -2.307 222 H GLU 458 HN GLU 458 -3.245 -2.079 -5.159 223 HA GLU 458 HA GLU 458 -1.581 -0.882 -7.220 224 HB2 GLU 458 HB2 GLU 458 -4.461 -0.394 -6.449 225 HB3 GLU 458 HB1 GLU 458 -3.641 0.377 -7.797 226 HG2 GLU 458 HG2 GLU 458 -4.212 -2.555 -7.473 227 HG3 GLU 458 HG1 GLU 458 -4.981 -1.440 -8.600 228 H LYS 459 HN LYS 459 -0.422 0.850 -6.931 229 HA LYS 459 HA LYS 459 -0.395 2.304 -4.494 230 HB2 LYS 459 HB2 LYS 459 0.843 3.079 -7.140 231 HB3 LYS 459 HB1 LYS 459 1.283 3.699 -5.557 232 HG2 LYS 459 HG2 LYS 459 2.074 1.499 -4.893 233 HG3 LYS 459 HG1 LYS 459 1.600 0.847 -6.463 234 HD2 LYS 459 HD2 LYS 459 3.166 2.445 -7.537 235 HD3 LYS 459 HD1 LYS 459 3.694 2.952 -5.929 236 HE2 LYS 459 HE2 LYS 459 4.376 0.637 -5.451 237 HE3 LYS 459 HE1 LYS 459 3.900 0.172 -7.085 238 HZ1 LYS 459 HZ1 LYS 459 6.050 2.084 -6.340 239 HZ2 LYS 459 HZ2 LYS 459 5.545 1.768 -7.933 240 HZ3 LYS 459 HZ3 LYS 459 6.254 0.537 -7.008 241 HA PRO 460 HA PRO 460 -3.695 5.087 -5.732 242 HB2 PRO 460 HB2 PRO 460 -4.154 6.129 -3.316 243 HB3 PRO 460 HB1 PRO 460 -4.599 4.454 -3.680 244 HG2 PRO 460 HG2 PRO 460 -2.193 5.498 -2.229 245 HG3 PRO 460 HG1 PRO 460 -3.244 4.135 -1.807 246 HD2 PRO 460 HD2 PRO 460 -0.829 3.868 -3.081 247 HD3 PRO 460 HD1 PRO 460 -2.164 2.705 -3.232 248 H GLN 461 HN GLN 461 -4.095 7.522 -5.003 249 HA GLN 461 HA GLN 461 -2.000 9.046 -6.089 250 HB2 GLN 461 HB2 GLN 461 -4.395 9.695 -6.110 251 HB3 GLN 461 HB1 GLN 461 -4.304 10.003 -4.383 252 HG2 GLN 461 HG2 GLN 461 -4.188 12.050 -5.735 253 HG3 GLN 461 HG1 GLN 461 -2.760 11.809 -4.731 254 HE21 GLN 461 HE21 GLN 461 -0.806 11.334 -5.689 255 HE22 GLN 461 HE22 GLN 461 -0.522 11.534 -7.386 256 H GLU 462 HN GLU 462 -2.441 7.839 -2.939 257 HA GLU 462 HA GLU 462 -1.054 9.689 -1.366 258 HB2 GLU 462 HB2 GLU 462 -1.021 6.675 -1.114 259 HB3 GLU 462 HB1 GLU 462 -0.589 7.819 0.145 260 HG2 GLU 462 HG2 GLU 462 -3.323 7.543 -1.085 261 HG3 GLU 462 HG1 GLU 462 -2.818 6.849 0.456 262 H LEU 463 HN LEU 463 0.087 7.409 -3.742 263 HA LEU 463 HA LEU 463 2.864 7.989 -2.948 264 HB2 LEU 463 HB2 LEU 463 2.031 5.724 -2.232 265 HB3 LEU 463 HB1 LEU 463 1.859 5.321 -3.928 266 HG LEU 463 HG LEU 463 4.285 5.634 -4.239 267 HD11 LEU 463 HD11 LEU 463 5.731 5.872 -2.287 268 HD12 LEU 463 HD12 LEU 463 4.312 6.036 -1.252 269 HD13 LEU 463 HD13 LEU 463 4.666 7.265 -2.468 270 HD21 LEU 463 HD21 LEU 463 3.415 3.414 -3.762 271 HD22 LEU 463 HD22 LEU 463 3.528 3.727 -2.029 272 HD23 LEU 463 HD23 LEU 463 4.993 3.637 -3.006 273 H LYS 464 HN LYS 464 0.704 8.523 -5.285 274 HA LYS 464 HA LYS 464 2.454 7.871 -7.527 275 HB2 LYS 464 HB2 LYS 464 -0.358 8.966 -7.432 276 HB3 LYS 464 HB1 LYS 464 0.554 8.772 -8.921 277 HG2 LYS 464 HG2 LYS 464 0.786 6.336 -8.325 278 HG3 LYS 464 HG1 LYS 464 -0.389 6.633 -7.044 279 HD2 LYS 464 HD2 LYS 464 -1.512 5.767 -9.007 280 HD3 LYS 464 HD1 LYS 464 -1.993 7.441 -8.726 281 HE2 LYS 464 HE2 LYS 464 -1.567 7.028 -11.099 282 HE3 LYS 464 HE1 LYS 464 -0.423 8.193 -10.434 283 HZ1 LYS 464 HZ1 LYS 464 0.633 6.530 -11.887 284 HZ2 LYS 464 HZ2 LYS 464 0.144 5.300 -10.827 285 HZ3 LYS 464 HZ3 LYS 464 1.242 6.478 -10.307 Start of MODEL 18 1 H1 GLY 428 HT1 GLY 428 2.224 20.081 2.785 2 H2 GLY 428 HT2 GLY 428 2.817 21.300 1.769 3 H3 GLY 428 HT3 GLY 428 2.772 21.542 3.446 4 HA2 GLY 428 HA1 GLY 428 5.016 21.083 2.825 5 HA3 GLY 428 HA2 GLY 428 4.377 19.723 3.740 6 H ALA 429 HN ALA 429 5.892 18.300 2.814 7 HA ALA 429 HA ALA 429 6.007 17.971 -0.050 8 HB1 ALA 429 HB1 ALA 429 7.575 16.166 0.430 9 HB2 ALA 429 HB2 ALA 429 7.177 16.261 2.144 10 HB3 ALA 429 HB3 ALA 429 7.989 17.612 1.354 11 H THR 430 HN THR 430 4.697 16.748 -1.235 12 HA THR 430 HA THR 430 2.649 15.176 -0.002 13 HB THR 430 HB THR 430 3.372 15.348 -2.935 14 HG1 THR 430 HG1 THR 430 2.490 17.270 -2.863 15 HG21 THR 430 HG21 THR 430 1.919 13.447 -2.383 16 HG22 THR 430 HG22 THR 430 1.043 14.671 -3.301 17 HG23 THR 430 HG23 THR 430 0.802 14.537 -1.560 18 H ALA 431 HN ALA 431 3.953 13.695 1.162 19 HA ALA 431 HA ALA 431 4.453 11.275 -0.376 20 HB1 ALA 431 HB1 ALA 431 6.632 10.882 0.659 21 HB2 ALA 431 HB2 ALA 431 6.539 12.445 1.472 22 HB3 ALA 431 HB3 ALA 431 6.651 12.370 -0.288 23 H VAL 432 HN VAL 432 3.294 9.767 0.621 24 HA VAL 432 HA VAL 432 2.643 10.168 3.442 25 HB VAL 432 HB VAL 432 0.872 8.465 3.084 26 HG11 VAL 432 HG11 VAL 432 0.821 10.803 1.176 27 HG12 VAL 432 HG12 VAL 432 0.362 10.837 2.879 28 HG13 VAL 432 HG13 VAL 432 -0.586 9.896 1.727 29 HG21 VAL 432 HG21 VAL 432 1.751 8.613 0.200 30 HG22 VAL 432 HG22 VAL 432 0.300 7.802 0.791 31 HG23 VAL 432 HG23 VAL 432 1.894 7.213 1.264 32 H SER 433 HN SER 433 3.176 8.807 5.017 33 HA SER 433 HA SER 433 4.611 6.333 4.296 34 HB2 SER 433 HB2 SER 433 5.625 6.537 6.589 35 HB3 SER 433 HB1 SER 433 6.098 7.819 5.476 36 HG SER 433 HG SER 433 4.828 7.997 7.852 37 H GLU 434 HN GLU 434 1.720 7.236 4.898 38 HA GLU 434 HA GLU 434 0.876 5.894 7.253 39 HB2 GLU 434 HB2 GLU 434 -0.266 7.833 6.174 40 HB3 GLU 434 HB1 GLU 434 -0.716 6.790 4.837 41 HG2 GLU 434 HG2 GLU 434 -2.490 7.229 6.543 42 HG3 GLU 434 HG1 GLU 434 -2.183 5.536 6.174 43 H TRP 435 HN TRP 435 2.209 4.522 4.716 44 HA TRP 435 HA TRP 435 0.475 2.155 4.846 45 HB2 TRP 435 HB2 TRP 435 2.022 3.006 2.394 46 HB3 TRP 435 HB1 TRP 435 0.953 1.611 2.565 47 HD1 TRP 435 HD1 TRP 435 0.480 5.474 3.020 48 HE1 TRP 435 HE1 TRP 435 -1.763 6.101 1.889 49 HE3 TRP 435 HE3 TRP 435 -0.895 0.849 1.371 50 HZ2 TRP 435 HZ2 TRP 435 -3.835 4.784 0.485 51 HZ3 TRP 435 HZ3 TRP 435 -3.019 0.609 0.139 52 HH2 TRP 435 HH2 TRP 435 -4.455 2.537 -0.297 53 H THR 436 HN THR 436 1.488 0.180 4.851 54 HA THR 436 HA THR 436 4.415 0.141 4.664 55 HB THR 436 HB THR 436 2.805 -1.515 6.620 56 HG1 THR 436 HG1 THR 436 3.553 1.025 6.809 57 HG21 THR 436 HG21 THR 436 5.000 -2.089 7.556 58 HG22 THR 436 HG22 THR 436 5.787 -1.139 6.293 59 HG23 THR 436 HG23 THR 436 4.873 -2.587 5.869 60 H GLU 437 HN GLU 437 4.886 -1.070 2.899 61 HA GLU 437 HA GLU 437 2.893 -2.959 1.957 62 HB2 GLU 437 HB2 GLU 437 4.354 -3.163 -0.072 63 HB3 GLU 437 HB1 GLU 437 3.647 -1.577 0.214 64 HG2 GLU 437 HG2 GLU 437 5.602 -0.610 0.424 65 HG3 GLU 437 HG1 GLU 437 6.277 -1.910 1.407 66 H TYR 438 HN TYR 438 3.473 -5.014 1.168 67 HA TYR 438 HA TYR 438 5.476 -6.375 2.797 68 HB2 TYR 438 HB2 TYR 438 2.485 -6.834 2.955 69 HB3 TYR 438 HB1 TYR 438 3.655 -8.053 3.444 70 HD1 TYR 438 HD1 TYR 438 5.295 -7.443 5.299 71 HD2 TYR 438 HD2 TYR 438 1.803 -5.162 4.455 72 HE1 TYR 438 HE1 TYR 438 5.406 -6.455 7.548 73 HE2 TYR 438 HE2 TYR 438 1.905 -4.165 6.702 74 HH TYR 438 HH TYR 438 4.655 -4.505 8.738 75 H LYS 439 HN LYS 439 5.873 -8.541 1.837 76 HA LYS 439 HA LYS 439 4.770 -8.501 -0.877 77 HB2 LYS 439 HB2 LYS 439 7.285 -7.900 -0.458 78 HB3 LYS 439 HB1 LYS 439 7.462 -9.657 -0.417 79 HG2 LYS 439 HG2 LYS 439 7.756 -9.145 -2.674 80 HG3 LYS 439 HG1 LYS 439 6.050 -9.611 -2.549 81 HD2 LYS 439 HD2 LYS 439 6.186 -7.665 -3.871 82 HD3 LYS 439 HD1 LYS 439 5.343 -7.362 -2.402 83 HE2 LYS 439 HE2 LYS 439 8.301 -6.796 -2.504 84 HE3 LYS 439 HE1 LYS 439 7.200 -5.679 -3.300 85 HZ1 LYS 439 HZ1 LYS 439 7.146 -6.421 -0.416 86 HZ2 LYS 439 HZ2 LYS 439 6.056 -5.371 -1.179 87 HZ3 LYS 439 HZ3 LYS 439 7.689 -4.952 -1.061 88 H THR 440 HN THR 440 4.060 -10.275 -1.766 89 HA THR 440 HA THR 440 3.905 -12.685 -0.141 90 HB THR 440 HB THR 440 2.482 -13.497 -2.102 91 HG1 THR 440 HG1 THR 440 2.608 -12.249 -3.798 92 HG21 THR 440 HG21 THR 440 1.579 -11.019 -0.635 93 HG22 THR 440 HG22 THR 440 1.520 -12.662 -0.003 94 HG23 THR 440 HG23 THR 440 0.529 -12.214 -1.391 95 H ALA 441 HN ALA 441 4.547 -14.741 -0.901 96 HA ALA 441 HA ALA 441 7.156 -14.896 -1.763 97 HB1 ALA 441 HB1 ALA 441 6.828 -17.281 -1.964 98 HB2 ALA 441 HB2 ALA 441 5.079 -17.058 -2.015 99 HB3 ALA 441 HB3 ALA 441 5.975 -16.663 -0.547 100 H ASP 442 HN ASP 442 4.292 -14.788 -3.772 101 HA ASP 442 HA ASP 442 5.596 -15.876 -6.091 102 HB2 ASP 442 HB2 ASP 442 3.530 -15.403 -7.271 103 HB3 ASP 442 HB1 ASP 442 3.171 -16.157 -5.723 104 H GLY 443 HN GLY 443 5.881 -12.945 -4.598 105 HA2 GLY 443 HA2 GLY 443 7.355 -11.278 -5.364 106 HA3 GLY 443 HA1 GLY 443 7.123 -11.859 -7.005 107 H LYS 444 HN LYS 444 5.078 -10.539 -4.424 108 HA LYS 444 HA LYS 444 4.104 -8.436 -6.248 109 HB2 LYS 444 HB2 LYS 444 2.524 -10.291 -4.585 110 HB3 LYS 444 HB1 LYS 444 1.897 -8.778 -5.186 111 HG2 LYS 444 HG2 LYS 444 2.460 -9.664 -7.527 112 HG3 LYS 444 HG1 LYS 444 2.652 -11.238 -6.756 113 HD2 LYS 444 HD2 LYS 444 0.155 -9.540 -6.772 114 HD3 LYS 444 HD1 LYS 444 0.421 -11.024 -7.687 115 HE2 LYS 444 HE2 LYS 444 0.667 -12.251 -5.557 116 HE3 LYS 444 HE1 LYS 444 0.311 -10.762 -4.686 117 HZ1 LYS 444 HZ1 LYS 444 -1.662 -12.096 -4.864 118 HZ2 LYS 444 HZ2 LYS 444 -1.511 -12.199 -6.544 119 HZ3 LYS 444 HZ3 LYS 444 -1.861 -10.706 -5.817 120 H THR 445 HN THR 445 3.935 -6.518 -5.178 121 HA THR 445 HA THR 445 4.219 -6.741 -2.273 122 HB THR 445 HB THR 445 5.659 -5.114 -3.594 123 HG1 THR 445 HG1 THR 445 5.105 -3.296 -2.057 124 HG21 THR 445 HG21 THR 445 3.993 -4.284 -5.179 125 HG22 THR 445 HG22 THR 445 4.702 -2.957 -4.257 126 HG23 THR 445 HG23 THR 445 3.090 -3.547 -3.854 127 H TYR 446 HN TYR 446 2.635 -5.780 -0.891 128 HA TYR 446 HA TYR 446 0.353 -4.497 -2.172 129 HB2 TYR 446 HB2 TYR 446 -1.167 -5.610 -0.481 130 HB3 TYR 446 HB1 TYR 446 -0.565 -6.632 -1.773 131 HD1 TYR 446 HD1 TYR 446 1.779 -7.884 -1.071 132 HD2 TYR 446 HD2 TYR 446 -1.274 -6.539 1.594 133 HE1 TYR 446 HE1 TYR 446 2.472 -9.563 0.597 134 HE2 TYR 446 HE2 TYR 446 -0.559 -8.193 3.263 135 HH TYR 446 HH TYR 446 2.360 -9.891 3.058 136 H TYR 447 HN TYR 447 -0.205 -2.655 -1.280 137 HA TYR 447 HA TYR 447 1.469 -1.721 0.907 138 HB2 TYR 447 HB2 TYR 447 -0.497 -0.179 -0.807 139 HB3 TYR 447 HB1 TYR 447 0.702 0.506 0.279 140 HD1 TYR 447 HD1 TYR 447 3.088 0.477 -0.326 141 HD2 TYR 447 HD2 TYR 447 0.102 -0.945 -3.002 142 HE1 TYR 447 HE1 TYR 447 4.691 0.628 -2.185 143 HE2 TYR 447 HE2 TYR 447 1.696 -0.802 -4.867 144 HH TYR 447 HH TYR 447 5.017 -0.422 -4.436 145 H TYR 448 HN TYR 448 0.761 -1.830 2.893 146 HA TYR 448 HA TYR 448 -2.084 -2.135 3.425 147 HB2 TYR 448 HB2 TYR 448 -0.790 -3.768 4.516 148 HB3 TYR 448 HB1 TYR 448 0.447 -2.613 4.978 149 HD1 TYR 448 HD1 TYR 448 -0.077 -0.940 6.765 150 HD2 TYR 448 HD2 TYR 448 -2.572 -4.291 5.967 151 HE1 TYR 448 HE1 TYR 448 -1.061 -0.752 9.022 152 HE2 TYR 448 HE2 TYR 448 -3.573 -4.101 8.206 153 HH TYR 448 HH TYR 448 -2.998 -1.373 10.243 154 H ASN 449 HN ASN 449 -3.263 -0.428 3.948 155 HA ASN 449 HA ASN 449 -1.948 2.006 4.919 156 HB2 ASN 449 HB2 ASN 449 -3.489 2.147 2.973 157 HB3 ASN 449 HB1 ASN 449 -4.796 1.560 3.994 158 HD21 ASN 449 HD21 ASN 449 -2.289 3.822 4.970 159 HD22 ASN 449 HD22 ASN 449 -3.347 5.176 5.174 160 H ASN 450 HN ASN 450 -1.884 2.325 7.073 161 HA ASN 450 HA ASN 450 -3.375 0.718 8.900 162 HB2 ASN 450 HB2 ASN 450 -2.083 3.323 9.681 163 HB3 ASN 450 HB1 ASN 450 -2.286 1.869 10.646 164 HD21 ASN 450 HD21 ASN 450 -0.381 3.510 8.293 165 HD22 ASN 450 HD22 ASN 450 0.964 2.404 8.291 166 H ARG 451 HN ARG 451 -4.070 3.548 7.213 167 HA ARG 451 HA ARG 451 -5.713 4.897 9.075 168 HB2 ARG 451 HB2 ARG 451 -4.717 6.135 7.311 169 HB3 ARG 451 HB1 ARG 451 -5.389 5.070 6.090 170 HG2 ARG 451 HG2 ARG 451 -7.646 5.905 6.664 171 HG3 ARG 451 HG1 ARG 451 -6.901 7.042 7.792 172 HD2 ARG 451 HD2 ARG 451 -7.444 7.957 5.494 173 HD3 ARG 451 HD1 ARG 451 -5.782 8.188 6.050 174 HE ARG 451 HE ARG 451 -6.196 5.797 4.488 175 HH11 ARG 451 HH11 ARG 451 -5.474 9.232 4.308 176 HH12 ARG 451 HH12 ARG 451 -4.561 9.075 2.824 177 HH21 ARG 451 HH21 ARG 451 -4.990 5.612 2.574 178 HH22 ARG 451 HH22 ARG 451 -4.282 7.029 1.847 179 H THR 452 HN THR 452 -6.333 2.285 6.831 180 HA THR 452 HA THR 452 -9.077 2.207 7.835 181 HB THR 452 HB THR 452 -9.330 3.351 5.722 182 HG1 THR 452 HG1 THR 452 -10.217 0.722 5.982 183 HG21 THR 452 HG21 THR 452 -8.588 2.377 3.602 184 HG22 THR 452 HG22 THR 452 -7.823 1.050 4.479 185 HG23 THR 452 HG23 THR 452 -7.224 2.699 4.674 186 H LEU 453 HN LEU 453 -6.275 0.749 7.679 187 HA LEU 453 HA LEU 453 -5.492 -1.359 7.946 188 HB2 LEU 453 HB2 LEU 453 -8.401 -2.102 8.270 189 HB3 LEU 453 HB1 LEU 453 -7.026 -3.078 8.753 190 HG LEU 453 HG LEU 453 -7.802 -0.413 9.945 191 HD11 LEU 453 HD11 LEU 453 -7.963 -3.210 11.053 192 HD12 LEU 453 HD12 LEU 453 -9.324 -2.191 10.582 193 HD13 LEU 453 HD13 LEU 453 -8.307 -1.728 11.946 194 HD21 LEU 453 HD21 LEU 453 -6.039 -0.856 11.576 195 HD22 LEU 453 HD22 LEU 453 -5.382 -0.741 9.942 196 HD23 LEU 453 HD23 LEU 453 -5.592 -2.320 10.702 197 H GLU 454 HN GLU 454 -6.430 -0.326 5.286 198 HA GLU 454 HA GLU 454 -7.224 -2.810 3.976 199 HB2 GLU 454 HB2 GLU 454 -8.684 -0.927 3.520 200 HB3 GLU 454 HB1 GLU 454 -7.316 0.035 2.977 201 HG2 GLU 454 HG2 GLU 454 -7.000 -1.379 1.070 202 HG3 GLU 454 HG1 GLU 454 -8.222 -2.508 1.652 203 H SER 455 HN SER 455 -5.810 -3.948 2.847 204 HA SER 455 HA SER 455 -3.300 -2.655 2.024 205 HB2 SER 455 HB2 SER 455 -3.861 -5.621 2.189 206 HB3 SER 455 HB1 SER 455 -2.291 -4.820 2.080 207 HG SER 455 HG SER 455 -3.851 -4.023 4.204 208 H ASP 456 HN ASP 456 -3.143 -2.129 -0.071 209 HA ASP 456 HA ASP 456 -4.535 -3.827 -2.041 210 HB2 ASP 456 HB2 ASP 456 -5.704 -1.616 -1.583 211 HB3 ASP 456 HB1 ASP 456 -4.299 -0.826 -2.294 212 H TRP 457 HN TRP 457 -3.526 -4.007 -4.071 213 HA TRP 457 HA TRP 457 -0.657 -4.023 -3.785 214 HB2 TRP 457 HB2 TRP 457 -2.039 -4.866 -6.301 215 HB3 TRP 457 HB1 TRP 457 -0.623 -5.560 -5.521 216 HD1 TRP 457 HD1 TRP 457 -4.450 -5.468 -5.189 217 HE1 TRP 457 HE1 TRP 457 -5.218 -7.574 -3.928 218 HE3 TRP 457 HE3 TRP 457 0.135 -7.400 -4.003 219 HZ2 TRP 457 HZ2 TRP 457 -4.021 -9.778 -2.612 220 HZ3 TRP 457 HZ3 TRP 457 0.237 -9.513 -2.752 221 HH2 TRP 457 HH2 TRP 457 -1.798 -10.676 -2.071 222 H GLU 458 HN GLU 458 -2.899 -1.873 -5.129 223 HA GLU 458 HA GLU 458 -0.983 -0.940 -7.159 224 HB2 GLU 458 HB2 GLU 458 -3.972 -0.544 -6.941 225 HB3 GLU 458 HB1 GLU 458 -2.962 0.185 -8.180 226 HG2 GLU 458 HG2 GLU 458 -2.338 -2.001 -9.007 227 HG3 GLU 458 HG1 GLU 458 -3.274 -2.771 -7.728 228 H LYS 459 HN LYS 459 -0.191 1.072 -7.121 229 HA LYS 459 HA LYS 459 -0.018 2.478 -4.723 230 HB2 LYS 459 HB2 LYS 459 0.621 3.195 -7.564 231 HB3 LYS 459 HB1 LYS 459 0.818 4.373 -6.276 232 HG2 LYS 459 HG2 LYS 459 2.367 2.844 -5.141 233 HG3 LYS 459 HG1 LYS 459 2.194 1.702 -6.475 234 HD2 LYS 459 HD2 LYS 459 3.164 3.253 -8.019 235 HD3 LYS 459 HD1 LYS 459 3.132 4.545 -6.820 236 HE2 LYS 459 HE2 LYS 459 5.380 3.662 -7.065 237 HE3 LYS 459 HE1 LYS 459 4.750 3.317 -5.456 238 HZ1 LYS 459 HZ1 LYS 459 4.785 1.385 -7.711 239 HZ2 LYS 459 HZ2 LYS 459 4.299 1.063 -6.116 240 HZ3 LYS 459 HZ3 LYS 459 5.919 1.433 -6.453 241 HA PRO 460 HA PRO 460 -3.761 4.970 -4.820 242 HB2 PRO 460 HB2 PRO 460 -3.202 6.351 -2.561 243 HB3 PRO 460 HB1 PRO 460 -3.796 4.685 -2.525 244 HG2 PRO 460 HG2 PRO 460 -0.982 5.695 -2.271 245 HG3 PRO 460 HG1 PRO 460 -1.818 4.467 -1.301 246 HD2 PRO 460 HD2 PRO 460 -0.122 3.819 -3.302 247 HD3 PRO 460 HD1 PRO 460 -1.544 2.831 -2.907 248 H GLN 461 HN GLN 461 -4.159 7.351 -4.789 249 HA GLN 461 HA GLN 461 -2.369 8.675 -6.552 250 HB2 GLN 461 HB2 GLN 461 -4.818 9.059 -6.502 251 HB3 GLN 461 HB1 GLN 461 -4.648 9.831 -4.932 252 HG2 GLN 461 HG2 GLN 461 -3.252 11.570 -5.950 253 HG3 GLN 461 HG1 GLN 461 -3.460 10.799 -7.523 254 HE21 GLN 461 HE21 GLN 461 -5.465 10.888 -8.538 255 HE22 GLN 461 HE22 GLN 461 -6.673 12.034 -8.074 256 H GLU 462 HN GLU 462 -2.446 8.341 -3.183 257 HA GLU 462 HA GLU 462 -1.157 10.797 -2.469 258 HB2 GLU 462 HB2 GLU 462 -1.165 8.232 -0.882 259 HB3 GLU 462 HB1 GLU 462 -0.973 9.868 -0.276 260 HG2 GLU 462 HG2 GLU 462 -3.272 10.366 -0.814 261 HG3 GLU 462 HG1 GLU 462 -3.481 8.760 -1.507 262 H LEU 463 HN LEU 463 -0.099 7.840 -3.816 263 HA LEU 463 HA LEU 463 2.603 8.208 -2.711 264 HB2 LEU 463 HB2 LEU 463 1.312 6.159 -2.046 265 HB3 LEU 463 HB1 LEU 463 1.381 5.646 -3.722 266 HG LEU 463 HG LEU 463 3.857 5.608 -3.582 267 HD11 LEU 463 HD11 LEU 463 3.388 6.153 -0.655 268 HD12 LEU 463 HD12 LEU 463 4.145 7.252 -1.806 269 HD13 LEU 463 HD13 LEU 463 4.931 5.727 -1.394 270 HD21 LEU 463 HD21 LEU 463 4.004 3.589 -2.210 271 HD22 LEU 463 HD22 LEU 463 2.567 3.570 -3.231 272 HD23 LEU 463 HD23 LEU 463 2.426 3.946 -1.514 273 H LYS 464 HN LYS 464 0.826 8.413 -5.551 274 HA LYS 464 HA LYS 464 3.190 7.849 -7.199 275 HB2 LYS 464 HB2 LYS 464 0.973 6.771 -7.789 276 HB3 LYS 464 HB1 LYS 464 0.388 8.384 -8.184 277 HG2 LYS 464 HG2 LYS 464 2.502 8.475 -9.704 278 HG3 LYS 464 HG1 LYS 464 2.432 6.720 -9.575 279 HD2 LYS 464 HD2 LYS 464 1.175 7.079 -11.465 280 HD3 LYS 464 HD1 LYS 464 -0.076 7.069 -10.224 281 HE2 LYS 464 HE2 LYS 464 1.230 9.538 -11.359 282 HE3 LYS 464 HE1 LYS 464 -0.343 8.913 -11.842 283 HZ1 LYS 464 HZ1 LYS 464 -0.611 10.692 -10.268 284 HZ2 LYS 464 HZ2 LYS 464 0.400 9.922 -9.144 285 HZ3 LYS 464 HZ3 LYS 464 -1.102 9.237 -9.549 Start of MODEL 19 1 H1 GLY 428 HT1 GLY 428 8.017 -1.957 -2.021 2 H2 GLY 428 HT2 GLY 428 9.080 -3.280 -1.948 3 H3 GLY 428 HT3 GLY 428 9.040 -2.303 -3.332 4 HA2 GLY 428 HA1 GLY 428 9.837 -1.349 -0.643 5 HA3 GLY 428 HA2 GLY 428 10.976 -1.902 -1.862 6 H ALA 429 HN ALA 429 8.375 0.451 -1.303 7 HA ALA 429 HA ALA 429 9.319 2.170 -3.425 8 HB1 ALA 429 HB1 ALA 429 7.586 3.715 -2.651 9 HB2 ALA 429 HB2 ALA 429 7.299 2.694 -1.242 10 HB3 ALA 429 HB3 ALA 429 6.940 2.086 -2.858 11 H THR 430 HN THR 430 9.906 1.705 -0.074 12 HA THR 430 HA THR 430 11.500 2.526 1.313 13 HB THR 430 HB THR 430 12.361 4.370 -0.926 14 HG1 THR 430 HG1 THR 430 13.769 2.018 -0.362 15 HG21 THR 430 HG21 THR 430 13.820 3.330 1.509 16 HG22 THR 430 HG22 THR 430 13.233 4.978 1.277 17 HG23 THR 430 HG23 THR 430 14.519 4.346 0.247 18 H ALA 431 HN ALA 431 10.383 5.270 -0.681 19 HA ALA 431 HA ALA 431 10.061 6.879 1.718 20 HB1 ALA 431 HB1 ALA 431 9.576 8.714 0.187 21 HB2 ALA 431 HB2 ALA 431 9.580 7.593 -1.174 22 HB3 ALA 431 HB3 ALA 431 11.067 7.891 -0.273 23 H VAL 432 HN VAL 432 8.371 5.698 2.692 24 HA VAL 432 HA VAL 432 5.739 6.348 1.574 25 HB VAL 432 HB VAL 432 6.256 3.963 1.090 26 HG11 VAL 432 HG11 VAL 432 7.669 3.443 2.984 27 HG12 VAL 432 HG12 VAL 432 6.297 2.337 2.927 28 HG13 VAL 432 HG13 VAL 432 6.312 3.664 4.088 29 HG21 VAL 432 HG21 VAL 432 4.159 3.040 1.963 30 HG22 VAL 432 HG22 VAL 432 3.949 4.670 1.325 31 HG23 VAL 432 HG23 VAL 432 4.025 4.407 3.068 32 H SER 433 HN SER 433 4.078 6.607 3.211 33 HA SER 433 HA SER 433 5.268 7.251 5.808 34 HB2 SER 433 HB2 SER 433 3.317 8.892 5.959 35 HB3 SER 433 HB1 SER 433 4.591 9.272 4.801 36 HG SER 433 HG SER 433 2.704 9.526 3.708 37 H GLU 434 HN GLU 434 1.853 7.159 5.061 38 HA GLU 434 HA GLU 434 1.353 5.818 7.558 39 HB2 GLU 434 HB2 GLU 434 -0.560 6.679 5.382 40 HB3 GLU 434 HB1 GLU 434 -1.000 6.207 7.017 41 HG2 GLU 434 HG2 GLU 434 0.775 8.546 6.382 42 HG3 GLU 434 HG1 GLU 434 -0.973 8.665 6.579 43 H TRP 435 HN TRP 435 2.500 4.413 5.002 44 HA TRP 435 HA TRP 435 0.565 2.197 5.009 45 HB2 TRP 435 HB2 TRP 435 2.299 2.960 2.657 46 HB3 TRP 435 HB1 TRP 435 1.061 1.705 2.732 47 HD1 TRP 435 HD1 TRP 435 1.031 5.569 3.375 48 HE1 TRP 435 HE1 TRP 435 -1.086 6.504 2.208 49 HE3 TRP 435 HE3 TRP 435 -0.780 1.220 1.420 50 HZ2 TRP 435 HZ2 TRP 435 -3.227 5.503 0.646 51 HZ3 TRP 435 HZ3 TRP 435 -2.865 1.285 0.098 52 HH2 TRP 435 HH2 TRP 435 -4.058 3.383 -0.283 53 H THR 436 HN THR 436 1.346 0.140 4.934 54 HA THR 436 HA THR 436 4.265 -0.201 5.031 55 HB THR 436 HB THR 436 2.337 -1.952 6.559 56 HG1 THR 436 HG1 THR 436 3.283 -0.601 8.404 57 HG21 THR 436 HG21 THR 436 5.295 -1.412 6.860 58 HG22 THR 436 HG22 THR 436 4.578 -2.846 6.123 59 HG23 THR 436 HG23 THR 436 4.343 -2.527 7.842 60 H GLU 437 HN GLU 437 4.786 -1.251 3.174 61 HA GLU 437 HA GLU 437 2.821 -3.001 1.932 62 HB2 GLU 437 HB2 GLU 437 4.629 -3.199 0.116 63 HB3 GLU 437 HB1 GLU 437 3.815 -1.645 0.307 64 HG2 GLU 437 HG2 GLU 437 5.648 -0.737 1.465 65 HG3 GLU 437 HG1 GLU 437 6.465 -2.295 1.559 66 H TYR 438 HN TYR 438 3.335 -5.096 1.251 67 HA TYR 438 HA TYR 438 5.318 -6.511 2.875 68 HB2 TYR 438 HB2 TYR 438 2.417 -7.384 2.683 69 HB3 TYR 438 HB1 TYR 438 3.693 -8.161 3.606 70 HD1 TYR 438 HD1 TYR 438 4.690 -6.821 5.580 71 HD2 TYR 438 HD2 TYR 438 1.014 -5.838 3.682 72 HE1 TYR 438 HE1 TYR 438 3.996 -5.573 7.584 73 HE2 TYR 438 HE2 TYR 438 0.310 -4.584 5.674 74 HH TYR 438 HH TYR 438 2.431 -3.747 8.174 75 H LYS 439 HN LYS 439 5.835 -8.595 1.787 76 HA LYS 439 HA LYS 439 4.781 -8.470 -0.945 77 HB2 LYS 439 HB2 LYS 439 7.290 -7.838 -0.480 78 HB3 LYS 439 HB1 LYS 439 7.490 -9.594 -0.507 79 HG2 LYS 439 HG2 LYS 439 7.773 -9.003 -2.751 80 HG3 LYS 439 HG1 LYS 439 6.064 -9.475 -2.641 81 HD2 LYS 439 HD2 LYS 439 6.154 -7.469 -3.858 82 HD3 LYS 439 HD1 LYS 439 5.396 -7.221 -2.320 83 HE2 LYS 439 HE2 LYS 439 6.931 -5.381 -2.758 84 HE3 LYS 439 HE1 LYS 439 7.551 -6.344 -1.417 85 HZ1 LYS 439 HZ1 LYS 439 9.292 -5.736 -2.996 86 HZ2 LYS 439 HZ2 LYS 439 8.470 -6.541 -4.238 87 HZ3 LYS 439 HZ3 LYS 439 9.094 -7.417 -2.925 88 H THR 440 HN THR 440 4.100 -10.231 -1.902 89 HA THR 440 HA THR 440 4.330 -12.788 -0.491 90 HB THR 440 HB THR 440 2.962 -13.691 -2.385 91 HG1 THR 440 HG1 THR 440 2.786 -12.499 -4.109 92 HG21 THR 440 HG21 THR 440 1.799 -11.278 -0.986 93 HG22 THR 440 HG22 THR 440 1.886 -12.912 -0.326 94 HG23 THR 440 HG23 THR 440 0.880 -12.583 -1.734 95 H ALA 441 HN ALA 441 5.274 -14.645 -1.471 96 HA ALA 441 HA ALA 441 7.874 -14.255 -2.295 97 HB1 ALA 441 HB1 ALA 441 7.031 -16.311 -1.278 98 HB2 ALA 441 HB2 ALA 441 7.951 -16.636 -2.747 99 HB3 ALA 441 HB3 ALA 441 6.189 -16.705 -2.776 100 H ASP 442 HN ASP 442 5.032 -14.422 -4.335 101 HA ASP 442 HA ASP 442 6.482 -15.120 -6.716 102 HB2 ASP 442 HB2 ASP 442 4.410 -15.014 -7.860 103 HB3 ASP 442 HB1 ASP 442 4.051 -15.678 -6.271 104 H GLY 443 HN GLY 443 6.473 -12.337 -5.010 105 HA2 GLY 443 HA2 GLY 443 7.630 -10.401 -5.680 106 HA3 GLY 443 HA1 GLY 443 7.367 -10.852 -7.357 107 H LYS 444 HN LYS 444 5.073 -10.456 -4.699 108 HA LYS 444 HA LYS 444 3.736 -8.286 -6.218 109 HB2 LYS 444 HB2 LYS 444 2.676 -10.336 -4.342 110 HB3 LYS 444 HB1 LYS 444 1.819 -8.882 -4.774 111 HG2 LYS 444 HG2 LYS 444 2.672 -11.048 -6.694 112 HG3 LYS 444 HG1 LYS 444 1.046 -10.858 -6.044 113 HD2 LYS 444 HD2 LYS 444 0.804 -8.732 -7.164 114 HD3 LYS 444 HD1 LYS 444 2.482 -8.794 -7.711 115 HE2 LYS 444 HE2 LYS 444 0.295 -10.723 -8.476 116 HE3 LYS 444 HE1 LYS 444 0.951 -9.439 -9.495 117 HZ1 LYS 444 HZ1 LYS 444 1.914 -11.631 -9.985 118 HZ2 LYS 444 HZ2 LYS 444 2.530 -11.716 -8.410 119 HZ3 LYS 444 HZ3 LYS 444 3.086 -10.518 -9.478 120 H THR 445 HN THR 445 3.942 -6.347 -5.125 121 HA THR 445 HA THR 445 4.176 -6.659 -2.231 122 HB THR 445 HB THR 445 5.735 -5.038 -3.449 123 HG1 THR 445 HG1 THR 445 5.470 -3.417 -1.770 124 HG21 THR 445 HG21 THR 445 4.173 -3.998 -5.000 125 HG22 THR 445 HG22 THR 445 4.874 -2.778 -3.933 126 HG23 THR 445 HG23 THR 445 3.233 -3.357 -3.651 127 H TYR 446 HN TYR 446 2.606 -5.607 -0.863 128 HA TYR 446 HA TYR 446 0.386 -4.275 -2.207 129 HB2 TYR 446 HB2 TYR 446 -1.176 -5.396 -0.514 130 HB3 TYR 446 HB1 TYR 446 -0.626 -6.352 -1.879 131 HD1 TYR 446 HD1 TYR 446 1.597 -7.782 -1.359 132 HD2 TYR 446 HD2 TYR 446 -1.178 -6.367 1.554 133 HE1 TYR 446 HE1 TYR 446 2.276 -9.586 0.173 134 HE2 TYR 446 HE2 TYR 446 -0.478 -8.143 3.100 135 HH TYR 446 HH TYR 446 0.582 -10.567 2.770 136 H TYR 447 HN TYR 447 -0.128 -2.421 -1.344 137 HA TYR 447 HA TYR 447 1.438 -1.573 0.959 138 HB2 TYR 447 HB2 TYR 447 -0.349 0.094 -0.825 139 HB3 TYR 447 HB1 TYR 447 0.837 0.687 0.324 140 HD1 TYR 447 HD2 TYR 447 3.237 0.531 -0.173 141 HD2 TYR 447 HD1 TYR 447 0.299 -0.665 -3.009 142 HE1 TYR 447 HE2 TYR 447 4.929 0.610 -1.954 143 HE2 TYR 447 HE1 TYR 447 1.983 -0.585 -4.798 144 HH TYR 447 HH TYR 447 5.316 -0.339 -4.168 145 H TYR 448 HN TYR 448 0.579 -1.749 2.879 146 HA TYR 448 HA TYR 448 -2.316 -1.786 3.188 147 HB2 TYR 448 HB2 TYR 448 -1.271 -3.569 4.308 148 HB3 TYR 448 HB1 TYR 448 0.019 -2.551 4.928 149 HD1 TYR 448 HD1 TYR 448 -0.548 -0.870 6.731 150 HD2 TYR 448 HD2 TYR 448 -3.198 -3.984 5.557 151 HE1 TYR 448 HE1 TYR 448 -1.751 -0.668 8.884 152 HE2 TYR 448 HE2 TYR 448 -4.411 -3.779 7.681 153 HH TYR 448 HH TYR 448 -4.166 -2.964 9.864 154 H ASN 449 HN ASN 449 -3.375 -0.002 3.694 155 HA ASN 449 HA ASN 449 -1.900 2.330 4.625 156 HB2 ASN 449 HB2 ASN 449 -3.573 2.525 2.779 157 HB3 ASN 449 HB1 ASN 449 -4.836 2.078 3.921 158 HD21 ASN 449 HD21 ASN 449 -2.071 4.135 4.611 159 HD22 ASN 449 HD22 ASN 449 -2.975 5.595 4.849 160 H ASN 450 HN ASN 450 -1.626 2.594 6.732 161 HA ASN 450 HA ASN 450 -3.133 1.192 8.696 162 HB2 ASN 450 HB2 ASN 450 -1.192 3.499 8.954 163 HB3 ASN 450 HB1 ASN 450 -1.886 2.642 10.325 164 HD21 ASN 450 HD21 ASN 450 0.363 2.499 7.688 165 HD22 ASN 450 HD22 ASN 450 1.178 1.059 8.200 166 H ARG 451 HN ARG 451 -3.874 3.892 6.907 167 HA ARG 451 HA ARG 451 -5.271 5.359 8.954 168 HB2 ARG 451 HB2 ARG 451 -4.176 6.562 7.150 169 HB3 ARG 451 HB1 ARG 451 -5.155 5.723 5.957 170 HG2 ARG 451 HG2 ARG 451 -7.165 6.796 6.884 171 HG3 ARG 451 HG1 ARG 451 -6.143 7.671 8.028 172 HD2 ARG 451 HD2 ARG 451 -6.711 9.049 6.089 173 HD3 ARG 451 HD1 ARG 451 -4.977 8.751 6.189 174 HE ARG 451 HE ARG 451 -6.255 6.833 4.523 175 HH11 ARG 451 HH11 ARG 451 -5.153 10.155 4.578 176 HH12 ARG 451 HH12 ARG 451 -4.882 10.228 2.864 177 HH21 ARG 451 HH21 ARG 451 -5.887 6.932 2.263 178 HH22 ARG 451 HH22 ARG 451 -5.280 8.400 1.553 179 H THR 452 HN THR 452 -6.058 2.808 6.728 180 HA THR 452 HA THR 452 -8.855 3.053 7.570 181 HB THR 452 HB THR 452 -8.829 4.013 5.359 182 HG1 THR 452 HG1 THR 452 -10.068 1.626 5.863 183 HG21 THR 452 HG21 THR 452 -7.431 1.496 4.452 184 HG22 THR 452 HG22 THR 452 -6.721 3.107 4.545 185 HG23 THR 452 HG23 THR 452 -8.018 2.781 3.396 186 H LEU 453 HN LEU 453 -6.177 1.333 7.706 187 HA LEU 453 HA LEU 453 -5.598 -0.816 8.137 188 HB2 LEU 453 HB2 LEU 453 -8.566 -1.287 8.439 189 HB3 LEU 453 HB1 LEU 453 -7.282 -2.302 9.068 190 HG LEU 453 HG LEU 453 -7.875 0.525 9.964 191 HD11 LEU 453 HD11 LEU 453 -8.371 -2.116 11.326 192 HD12 LEU 453 HD12 LEU 453 -9.601 -1.032 10.675 193 HD13 LEU 453 HD13 LEU 453 -8.614 -0.526 12.047 194 HD21 LEU 453 HD21 LEU 453 -5.509 -0.015 10.148 195 HD22 LEU 453 HD22 LEU 453 -5.903 -1.497 11.020 196 HD23 LEU 453 HD23 LEU 453 -6.259 0.073 11.741 197 H GLU 454 HN GLU 454 -6.417 0.107 5.397 198 HA GLU 454 HA GLU 454 -7.319 -2.427 4.267 199 HB2 GLU 454 HB2 GLU 454 -8.923 -0.608 3.984 200 HB3 GLU 454 HB1 GLU 454 -7.694 0.360 3.188 201 HG2 GLU 454 HG2 GLU 454 -7.639 -1.153 1.321 202 HG3 GLU 454 HG1 GLU 454 -8.736 -2.263 2.143 203 H SER 455 HN SER 455 -6.058 -3.459 2.822 204 HA SER 455 HA SER 455 -3.604 -2.077 1.963 205 HB2 SER 455 HB2 SER 455 -3.287 -4.037 3.467 206 HB3 SER 455 HB1 SER 455 -4.087 -5.053 2.267 207 HG SER 455 HG SER 455 -1.973 -3.512 1.343 208 H ASP 456 HN ASP 456 -3.211 -1.821 -0.149 209 HA ASP 456 HA ASP 456 -4.843 -3.348 -2.085 210 HB2 ASP 456 HB2 ASP 456 -5.432 -0.857 -1.769 211 HB3 ASP 456 HB1 ASP 456 -3.890 -0.520 -2.545 212 H TRP 457 HN TRP 457 -3.743 -4.192 -3.823 213 HA TRP 457 HA TRP 457 -0.862 -4.340 -3.629 214 HB2 TRP 457 HB2 TRP 457 -2.453 -5.375 -5.963 215 HB3 TRP 457 HB1 TRP 457 -0.959 -6.006 -5.289 216 HD1 TRP 457 HD1 TRP 457 -4.704 -5.770 -4.392 217 HE1 TRP 457 HE1 TRP 457 -5.317 -7.857 -2.989 218 HE3 TRP 457 HE3 TRP 457 -0.057 -7.859 -4.008 219 HZ2 TRP 457 HZ2 TRP 457 -3.970 -10.096 -1.878 220 HZ3 TRP 457 HZ3 TRP 457 0.203 -9.969 -2.773 221 HH2 TRP 457 HH2 TRP 457 -1.713 -11.063 -1.731 222 H GLU 458 HN GLU 458 -3.186 -2.472 -5.247 223 HA GLU 458 HA GLU 458 -1.395 -1.789 -7.450 224 HB2 GLU 458 HB2 GLU 458 -4.315 -1.228 -6.935 225 HB3 GLU 458 HB1 GLU 458 -3.442 -0.655 -8.339 226 HG2 GLU 458 HG2 GLU 458 -3.958 -3.516 -7.590 227 HG3 GLU 458 HG1 GLU 458 -4.678 -2.619 -8.928 228 H LYS 459 HN LYS 459 -0.551 0.204 -7.738 229 HA LYS 459 HA LYS 459 0.030 1.755 -5.514 230 HB2 LYS 459 HB2 LYS 459 0.174 2.365 -8.453 231 HB3 LYS 459 HB1 LYS 459 0.684 3.528 -7.239 232 HG2 LYS 459 HG2 LYS 459 2.321 1.908 -6.394 233 HG3 LYS 459 HG1 LYS 459 1.828 0.775 -7.657 234 HD2 LYS 459 HD2 LYS 459 3.859 2.010 -8.275 235 HD3 LYS 459 HD1 LYS 459 2.521 2.353 -9.371 236 HE2 LYS 459 HE2 LYS 459 2.063 4.408 -7.997 237 HE3 LYS 459 HE1 LYS 459 3.574 4.093 -7.147 238 HZ1 LYS 459 HZ1 LYS 459 4.755 4.259 -9.241 239 HZ2 LYS 459 HZ2 LYS 459 3.879 5.682 -8.947 240 HZ3 LYS 459 HZ3 LYS 459 3.304 4.546 -10.069 241 HA PRO 460 HA PRO 460 -3.763 4.117 -5.219 242 HB2 PRO 460 HB2 PRO 460 -3.241 5.151 -2.798 243 HB3 PRO 460 HB1 PRO 460 -3.709 3.457 -2.992 244 HG2 PRO 460 HG2 PRO 460 -0.979 4.635 -2.624 245 HG3 PRO 460 HG1 PRO 460 -1.697 3.213 -1.843 246 HD2 PRO 460 HD2 PRO 460 -0.004 3.061 -3.975 247 HD3 PRO 460 HD1 PRO 460 -1.264 1.856 -3.640 248 H GLN 461 HN GLN 461 -4.243 6.403 -5.112 249 HA GLN 461 HA GLN 461 -2.369 8.057 -6.440 250 HB2 GLN 461 HB2 GLN 461 -4.809 8.411 -6.558 251 HB3 GLN 461 HB1 GLN 461 -4.821 8.872 -4.861 252 HG2 GLN 461 HG2 GLN 461 -3.262 10.741 -5.452 253 HG3 GLN 461 HG1 GLN 461 -3.521 10.332 -7.147 254 HE21 GLN 461 HE21 GLN 461 -6.012 10.098 -4.713 255 HE22 GLN 461 HE22 GLN 461 -6.981 11.409 -5.301 256 H GLU 462 HN GLU 462 -2.709 7.184 -3.197 257 HA GLU 462 HA GLU 462 -1.716 9.526 -1.934 258 HB2 GLU 462 HB2 GLU 462 -1.615 6.687 -0.914 259 HB3 GLU 462 HB1 GLU 462 -1.553 8.158 0.046 260 HG2 GLU 462 HG2 GLU 462 -3.904 7.265 -1.604 261 HG3 GLU 462 HG1 GLU 462 -3.731 7.025 0.133 262 H LEU 463 HN LEU 463 -0.219 7.128 -3.799 263 HA LEU 463 HA LEU 463 2.433 7.963 -2.858 264 HB2 LEU 463 HB2 LEU 463 1.745 5.781 -1.808 265 HB3 LEU 463 HB1 LEU 463 1.684 5.090 -3.416 266 HG LEU 463 HG LEU 463 4.107 5.561 -3.681 267 HD11 LEU 463 HD11 LEU 463 4.306 7.430 -2.149 268 HD12 LEU 463 HD12 LEU 463 5.419 6.140 -1.694 269 HD13 LEU 463 HD13 LEU 463 3.926 6.379 -0.786 270 HD21 LEU 463 HD21 LEU 463 3.343 3.904 -1.279 271 HD22 LEU 463 HD22 LEU 463 4.869 3.794 -2.156 272 HD23 LEU 463 HD23 LEU 463 3.358 3.367 -2.959 273 H LYS 464 HN LYS 464 0.561 8.314 -5.269 274 HA LYS 464 HA LYS 464 2.181 7.118 -7.385 275 HB2 LYS 464 HB2 LYS 464 -0.280 6.922 -7.518 276 HB3 LYS 464 HB1 LYS 464 -0.403 8.676 -7.579 277 HG2 LYS 464 HG2 LYS 464 1.171 8.445 -9.636 278 HG3 LYS 464 HG1 LYS 464 0.598 6.775 -9.649 279 HD2 LYS 464 HD2 LYS 464 -0.761 8.164 -11.112 280 HD3 LYS 464 HD1 LYS 464 -1.715 7.581 -9.747 281 HE2 LYS 464 HE2 LYS 464 -2.085 9.986 -10.309 282 HE3 LYS 464 HE1 LYS 464 -1.572 9.694 -8.648 283 HZ1 LYS 464 HZ1 LYS 464 0.320 10.440 -10.813 284 HZ2 LYS 464 HZ2 LYS 464 0.606 10.436 -9.137 285 HZ3 LYS 464 HZ3 LYS 464 -0.442 11.582 -9.820 Start of MODEL 20 1 H1 GLY 428 HT1 GLY 428 -3.596 17.779 -3.607 2 H2 GLY 428 HT2 GLY 428 -3.435 19.457 -3.802 3 H3 GLY 428 HT3 GLY 428 -4.254 18.832 -2.455 4 HA2 GLY 428 HA1 GLY 428 -1.375 18.394 -3.019 5 HA3 GLY 428 HA2 GLY 428 -1.998 19.616 -1.918 6 H ALA 429 HN ALA 429 -1.214 16.298 -2.345 7 HA ALA 429 HA ALA 429 -1.786 15.813 0.475 8 HB1 ALA 429 HB1 ALA 429 -2.776 13.979 -1.706 9 HB2 ALA 429 HB2 ALA 429 -3.785 15.039 -0.720 10 HB3 ALA 429 HB3 ALA 429 -2.910 13.701 0.029 11 H THR 430 HN THR 430 -0.134 14.817 1.413 12 HA THR 430 HA THR 430 1.488 12.939 -0.155 13 HB THR 430 HB THR 430 2.691 15.024 1.682 14 HG1 THR 430 HG1 THR 430 1.922 15.179 -0.918 15 HG21 THR 430 HG21 THR 430 4.819 14.267 0.723 16 HG22 THR 430 HG22 THR 430 3.961 13.052 -0.223 17 HG23 THR 430 HG23 THR 430 3.979 12.947 1.538 18 H ALA 431 HN ALA 431 0.705 11.162 0.889 19 HA ALA 431 HA ALA 431 0.937 11.098 3.826 20 HB1 ALA 431 HB1 ALA 431 -0.865 9.452 2.049 21 HB2 ALA 431 HB2 ALA 431 -1.361 10.843 3.013 22 HB3 ALA 431 HB3 ALA 431 -0.792 9.377 3.810 23 H VAL 432 HN VAL 432 3.204 10.695 2.361 24 HA VAL 432 HA VAL 432 3.728 7.994 1.705 25 HB VAL 432 HB VAL 432 5.706 10.136 2.523 26 HG11 VAL 432 HG11 VAL 432 7.331 8.827 1.242 27 HG12 VAL 432 HG12 VAL 432 6.101 7.601 0.935 28 HG13 VAL 432 HG13 VAL 432 6.664 7.893 2.582 29 HG21 VAL 432 HG21 VAL 432 5.974 10.550 0.123 30 HG22 VAL 432 HG22 VAL 432 4.325 10.878 0.658 31 HG23 VAL 432 HG23 VAL 432 4.688 9.391 -0.218 32 H SER 433 HN SER 433 4.522 6.342 2.885 33 HA SER 433 HA SER 433 5.321 5.104 4.599 34 HB2 SER 433 HB2 SER 433 5.744 7.731 6.025 35 HB3 SER 433 HB1 SER 433 6.371 6.163 6.529 36 HG SER 433 HG SER 433 8.021 6.816 5.354 37 H GLU 434 HN GLU 434 2.519 6.749 4.599 38 HA GLU 434 HA GLU 434 1.583 5.939 7.213 39 HB2 GLU 434 HB2 GLU 434 0.708 7.899 5.765 40 HB3 GLU 434 HB1 GLU 434 -0.151 6.669 4.853 41 HG2 GLU 434 HG2 GLU 434 -0.561 6.511 7.745 42 HG3 GLU 434 HG1 GLU 434 -1.125 8.011 7.013 43 H TRP 435 HN TRP 435 2.495 4.380 4.544 44 HA TRP 435 HA TRP 435 0.582 2.169 4.865 45 HB2 TRP 435 HB2 TRP 435 2.093 2.917 2.350 46 HB3 TRP 435 HB1 TRP 435 0.941 1.595 2.539 47 HD1 TRP 435 HD1 TRP 435 0.753 5.445 3.151 48 HE1 TRP 435 HE1 TRP 435 -1.476 6.264 2.142 49 HE3 TRP 435 HE3 TRP 435 -0.988 1.000 1.355 50 HZ2 TRP 435 HZ2 TRP 435 -3.691 5.154 0.758 51 HZ3 TRP 435 HZ3 TRP 435 -3.167 0.955 0.197 52 HH2 TRP 435 HH2 TRP 435 -4.483 2.989 -0.097 53 H THR 436 HN THR 436 1.415 0.096 4.809 54 HA THR 436 HA THR 436 4.343 -0.125 4.665 55 HB THR 436 HB THR 436 2.571 -1.755 6.502 56 HG1 THR 436 HG1 THR 436 3.411 0.708 6.817 57 HG21 THR 436 HG21 THR 436 5.581 -1.581 6.257 58 HG22 THR 436 HG22 THR 436 4.580 -2.941 5.747 59 HG23 THR 436 HG23 THR 436 4.700 -2.526 7.457 60 H GLU 437 HN GLU 437 4.809 -1.223 2.872 61 HA GLU 437 HA GLU 437 2.829 -3.042 1.771 62 HB2 GLU 437 HB2 GLU 437 4.560 -3.218 -0.130 63 HB3 GLU 437 HB1 GLU 437 3.673 -1.710 0.061 64 HG2 GLU 437 HG2 GLU 437 5.517 -0.664 1.097 65 HG3 GLU 437 HG1 GLU 437 6.418 -2.179 1.182 66 H TYR 438 HN TYR 438 3.381 -5.122 1.067 67 HA TYR 438 HA TYR 438 5.401 -6.473 2.697 68 HB2 TYR 438 HB2 TYR 438 2.461 -7.233 2.595 69 HB3 TYR 438 HB1 TYR 438 3.730 -8.197 3.337 70 HD1 TYR 438 HD1 TYR 438 4.973 -7.176 5.330 71 HD2 TYR 438 HD2 TYR 438 1.305 -5.636 3.830 72 HE1 TYR 438 HE1 TYR 438 4.560 -6.072 7.490 73 HE2 TYR 438 HE2 TYR 438 0.886 -4.522 5.978 74 HH TYR 438 HH TYR 438 3.272 -4.239 8.412 75 H LYS 439 HN LYS 439 5.956 -8.548 1.660 76 HA LYS 439 HA LYS 439 4.859 -8.518 -1.064 77 HB2 LYS 439 HB2 LYS 439 7.369 -7.883 -0.619 78 HB3 LYS 439 HB1 LYS 439 7.563 -9.640 -0.597 79 HG2 LYS 439 HG2 LYS 439 7.854 -9.095 -2.850 80 HG3 LYS 439 HG1 LYS 439 6.152 -9.584 -2.728 81 HD2 LYS 439 HD2 LYS 439 6.232 -7.617 -4.012 82 HD3 LYS 439 HD1 LYS 439 5.436 -7.342 -2.509 83 HE2 LYS 439 HE2 LYS 439 8.386 -6.742 -2.801 84 HE3 LYS 439 HE1 LYS 439 7.180 -5.587 -3.361 85 HZ1 LYS 439 HZ1 LYS 439 8.046 -5.238 -1.045 86 HZ2 LYS 439 HZ2 LYS 439 7.225 -6.647 -0.591 87 HZ3 LYS 439 HZ3 LYS 439 6.357 -5.318 -1.182 88 H THR 440 HN THR 440 4.331 -10.329 -2.033 89 HA THR 440 HA THR 440 4.306 -12.788 -0.456 90 HB THR 440 HB THR 440 3.015 -13.740 -2.309 91 HG1 THR 440 HG1 THR 440 3.108 -12.867 -4.223 92 HG21 THR 440 HG21 THR 440 1.824 -12.413 -0.602 93 HG22 THR 440 HG22 THR 440 1.040 -12.326 -2.181 94 HG23 THR 440 HG23 THR 440 2.016 -10.976 -1.605 95 H ALA 441 HN ALA 441 5.318 -14.736 -1.192 96 HA ALA 441 HA ALA 441 7.962 -14.448 -1.998 97 HB1 ALA 441 HB1 ALA 441 7.105 -16.373 -0.745 98 HB2 ALA 441 HB2 ALA 441 8.032 -16.866 -2.163 99 HB3 ALA 441 HB3 ALA 441 6.270 -16.935 -2.193 100 H ASP 442 HN ASP 442 5.101 -14.890 -3.936 101 HA ASP 442 HA ASP 442 6.515 -15.697 -6.302 102 HB2 ASP 442 HB2 ASP 442 4.336 -15.535 -7.419 103 HB3 ASP 442 HB1 ASP 442 4.224 -16.451 -5.922 104 H GLY 443 HN GLY 443 6.417 -12.777 -4.797 105 HA2 GLY 443 HA2 GLY 443 7.594 -10.919 -5.624 106 HA3 GLY 443 HA1 GLY 443 7.358 -11.521 -7.257 107 H LYS 444 HN LYS 444 5.336 -10.426 -4.543 108 HA LYS 444 HA LYS 444 4.006 -8.487 -6.327 109 HB2 LYS 444 HB2 LYS 444 2.762 -10.502 -4.552 110 HB3 LYS 444 HB1 LYS 444 1.943 -9.044 -5.046 111 HG2 LYS 444 HG2 LYS 444 2.925 -11.230 -6.889 112 HG3 LYS 444 HG1 LYS 444 1.243 -10.939 -6.435 113 HD2 LYS 444 HD2 LYS 444 2.952 -8.876 -7.808 114 HD3 LYS 444 HD1 LYS 444 1.971 -10.047 -8.690 115 HE2 LYS 444 HE2 LYS 444 0.856 -8.165 -6.617 116 HE3 LYS 444 HE1 LYS 444 0.914 -7.793 -8.339 117 HZ1 LYS 444 HZ1 LYS 444 -0.598 -9.981 -7.020 118 HZ2 LYS 444 HZ2 LYS 444 -0.375 -9.890 -8.697 119 HZ3 LYS 444 HZ3 LYS 444 -1.223 -8.662 -7.887 120 H THR 445 HN THR 445 3.946 -6.540 -5.279 121 HA THR 445 HA THR 445 4.264 -6.757 -2.380 122 HB THR 445 HB THR 445 5.708 -5.135 -3.778 123 HG1 THR 445 HG1 THR 445 5.456 -3.431 -2.126 124 HG21 THR 445 HG21 THR 445 4.765 -2.924 -4.275 125 HG22 THR 445 HG22 THR 445 3.167 -3.501 -3.800 126 HG23 THR 445 HG23 THR 445 3.971 -4.191 -5.211 127 H TYR 446 HN TYR 446 2.693 -5.705 -0.998 128 HA TYR 446 HA TYR 446 0.405 -4.453 -2.294 129 HB2 TYR 446 HB2 TYR 446 -1.113 -5.646 -0.629 130 HB3 TYR 446 HB1 TYR 446 -0.519 -6.581 -1.988 131 HD1 TYR 446 HD2 TYR 446 1.727 -7.957 -1.471 132 HD2 TYR 446 HD1 TYR 446 -1.050 -6.575 1.460 133 HE1 TYR 446 HE2 TYR 446 2.468 -9.723 0.078 134 HE2 TYR 446 HE1 TYR 446 -0.297 -8.320 3.012 135 HH TYR 446 HH TYR 446 0.805 -10.380 3.077 136 H TYR 447 HN TYR 447 -0.252 -2.667 -1.347 137 HA TYR 447 HA TYR 447 1.395 -1.719 0.858 138 HB2 TYR 447 HB2 TYR 447 -0.605 -0.186 -0.819 139 HB3 TYR 447 HB1 TYR 447 0.619 0.494 0.239 140 HD1 TYR 447 HD1 TYR 447 -0.014 -1.097 -3.006 141 HD2 TYR 447 HD2 TYR 447 2.933 0.626 -0.465 142 HE1 TYR 447 HE1 TYR 447 1.534 -0.954 -4.910 143 HE2 TYR 447 HE2 TYR 447 4.488 0.773 -2.362 144 HH TYR 447 HH TYR 447 4.851 -0.292 -4.530 145 H TYR 448 HN TYR 448 0.655 -1.908 2.859 146 HA TYR 448 HA TYR 448 -2.203 -2.156 3.330 147 HB2 TYR 448 HB2 TYR 448 -1.092 -3.777 4.540 148 HB3 TYR 448 HB1 TYR 448 0.282 -2.742 4.877 149 HD1 TYR 448 HD2 TYR 448 0.172 -1.094 6.699 150 HD2 TYR 448 HD1 TYR 448 -2.986 -3.864 6.009 151 HE1 TYR 448 HE2 TYR 448 -0.676 -0.695 8.978 152 HE2 TYR 448 HE1 TYR 448 -3.843 -3.468 8.277 153 HH TYR 448 HH TYR 448 -2.723 -0.907 10.251 154 H ASN 449 HN ASN 449 -3.412 -0.492 3.886 155 HA ASN 449 HA ASN 449 -2.142 2.029 4.664 156 HB2 ASN 449 HB2 ASN 449 -3.798 1.967 2.786 157 HB3 ASN 449 HB1 ASN 449 -5.026 1.451 3.938 158 HD21 ASN 449 HD21 ASN 449 -2.475 3.809 4.450 159 HD22 ASN 449 HD22 ASN 449 -3.524 5.155 4.722 160 H ASN 450 HN ASN 450 -2.175 2.700 6.732 161 HA ASN 450 HA ASN 450 -3.491 1.126 8.747 162 HB2 ASN 450 HB2 ASN 450 -1.946 3.725 8.919 163 HB3 ASN 450 HB1 ASN 450 -2.592 2.874 10.317 164 HD21 ASN 450 HD21 ASN 450 -0.192 2.873 7.805 165 HD22 ASN 450 HD22 ASN 450 0.786 1.608 8.474 166 H ARG 451 HN ARG 451 -4.152 3.960 6.956 167 HA ARG 451 HA ARG 451 -5.926 5.256 8.702 168 HB2 ARG 451 HB2 ARG 451 -4.889 6.507 7.007 169 HB3 ARG 451 HB1 ARG 451 -5.411 5.401 5.751 170 HG2 ARG 451 HG2 ARG 451 -7.655 6.200 5.883 171 HG3 ARG 451 HG1 ARG 451 -7.275 7.170 7.312 172 HD2 ARG 451 HD2 ARG 451 -7.326 8.232 4.889 173 HD3 ARG 451 HD1 ARG 451 -6.166 8.763 6.107 174 HE ARG 451 HE ARG 451 -4.540 7.242 5.025 175 HH11 ARG 451 HH11 ARG 451 -7.315 8.348 3.184 176 HH12 ARG 451 HH12 ARG 451 -6.543 8.117 1.649 177 HH21 ARG 451 HH21 ARG 451 -3.528 6.965 3.028 178 HH22 ARG 451 HH22 ARG 451 -4.364 7.355 1.550 179 H THR 452 HN THR 452 -6.452 2.509 6.588 180 HA THR 452 HA THR 452 -9.259 2.596 7.425 181 HB THR 452 HB THR 452 -9.238 3.409 5.124 182 HG1 THR 452 HG1 THR 452 -10.228 0.772 5.516 183 HG21 THR 452 HG21 THR 452 -7.839 0.823 4.443 184 HG22 THR 452 HG22 THR 452 -7.135 2.438 4.372 185 HG23 THR 452 HG23 THR 452 -8.446 2.000 3.278 186 H LEU 453 HN LEU 453 -6.462 1.130 7.698 187 HA LEU 453 HA LEU 453 -5.681 -0.934 8.216 188 HB2 LEU 453 HB2 LEU 453 -8.611 -1.468 8.723 189 HB3 LEU 453 HB1 LEU 453 -7.304 -2.530 9.212 190 HG LEU 453 HG LEU 453 -7.682 0.303 10.186 191 HD11 LEU 453 HD11 LEU 453 -8.227 -2.320 11.567 192 HD12 LEU 453 HD12 LEU 453 -9.438 -1.165 11.012 193 HD13 LEU 453 HD13 LEU 453 -8.326 -0.723 12.307 194 HD21 LEU 453 HD21 LEU 453 -5.954 -0.270 11.814 195 HD22 LEU 453 HD22 LEU 453 -5.346 -0.395 10.164 196 HD23 LEU 453 HD23 LEU 453 -5.764 -1.854 11.065 197 H GLU 454 HN GLU 454 -6.596 -0.305 5.444 198 HA GLU 454 HA GLU 454 -7.271 -3.000 4.567 199 HB2 GLU 454 HB2 GLU 454 -9.044 -1.329 4.142 200 HB3 GLU 454 HB1 GLU 454 -7.914 -0.433 3.133 201 HG2 GLU 454 HG2 GLU 454 -9.479 -1.822 1.836 202 HG3 GLU 454 HG1 GLU 454 -7.789 -2.251 1.565 203 H SER 455 HN SER 455 -6.184 -3.924 2.843 204 HA SER 455 HA SER 455 -3.676 -2.540 2.148 205 HB2 SER 455 HB2 SER 455 -3.450 -4.609 3.546 206 HB3 SER 455 HB1 SER 455 -4.174 -5.528 2.229 207 HG SER 455 HG SER 455 -2.018 -3.913 1.557 208 H ASP 456 HN ASP 456 -3.382 -2.030 0.094 209 HA ASP 456 HA ASP 456 -4.922 -3.466 -1.973 210 HB2 ASP 456 HB2 ASP 456 -4.310 -0.519 -1.739 211 HB3 ASP 456 HB1 ASP 456 -4.802 -1.258 -3.258 212 H TRP 457 HN TRP 457 -3.790 -4.249 -3.655 213 HA TRP 457 HA TRP 457 -0.940 -4.241 -3.614 214 HB2 TRP 457 HB2 TRP 457 -2.520 -4.968 -6.065 215 HB3 TRP 457 HB1 TRP 457 -1.038 -5.688 -5.455 216 HD1 TRP 457 HD1 TRP 457 -4.810 -5.594 -4.688 217 HE1 TRP 457 HE1 TRP 457 -5.447 -7.812 -3.502 218 HE3 TRP 457 HE3 TRP 457 -0.143 -7.633 -4.234 219 HZ2 TRP 457 HZ2 TRP 457 -4.119 -10.113 -2.526 220 HZ3 TRP 457 HZ3 TRP 457 0.091 -9.841 -3.173 221 HH2 TRP 457 HH2 TRP 457 -1.858 -11.052 -2.337 222 H GLU 458 HN GLU 458 -3.304 -2.197 -4.924 223 HA GLU 458 HA GLU 458 -1.590 -1.157 -7.026 224 HB2 GLU 458 HB2 GLU 458 -3.727 0.208 -7.485 225 HB3 GLU 458 HB1 GLU 458 -3.745 -1.508 -7.829 226 HG2 GLU 458 HG2 GLU 458 -4.829 -1.852 -5.607 227 HG3 GLU 458 HG1 GLU 458 -4.959 -0.099 -5.470 228 H LYS 459 HN LYS 459 -0.741 0.866 -7.042 229 HA LYS 459 HA LYS 459 -0.259 2.004 -4.462 230 HB2 LYS 459 HB2 LYS 459 1.521 1.851 -6.116 231 HB3 LYS 459 HB1 LYS 459 0.620 2.886 -7.216 232 HG2 LYS 459 HG2 LYS 459 0.778 4.718 -5.570 233 HG3 LYS 459 HG1 LYS 459 1.766 3.675 -4.544 234 HD2 LYS 459 HD2 LYS 459 2.450 4.489 -7.368 235 HD3 LYS 459 HD1 LYS 459 3.107 5.235 -5.910 236 HE2 LYS 459 HE2 LYS 459 4.075 3.081 -5.252 237 HE3 LYS 459 HE1 LYS 459 3.420 2.346 -6.715 238 HZ1 LYS 459 HZ1 LYS 459 4.777 3.874 -8.031 239 HZ2 LYS 459 HZ2 LYS 459 5.736 2.908 -7.016 240 HZ3 LYS 459 HZ3 LYS 459 5.434 4.527 -6.610 241 HA PRO 460 HA PRO 460 -3.550 5.038 -4.670 242 HB2 PRO 460 HB2 PRO 460 -3.034 6.189 -2.299 243 HB3 PRO 460 HB1 PRO 460 -3.746 4.573 -2.408 244 HG2 PRO 460 HG2 PRO 460 -0.879 5.347 -1.966 245 HG3 PRO 460 HG1 PRO 460 -1.860 4.162 -1.081 246 HD2 PRO 460 HD2 PRO 460 -0.141 3.433 -3.031 247 HD3 PRO 460 HD1 PRO 460 -1.666 2.570 -2.741 248 H GLN 461 HN GLN 461 -3.712 7.381 -4.665 249 HA GLN 461 HA GLN 461 -1.622 8.578 -6.145 250 HB2 GLN 461 HB2 GLN 461 -3.984 9.167 -6.451 251 HB3 GLN 461 HB1 GLN 461 -4.027 9.854 -4.837 252 HG2 GLN 461 HG2 GLN 461 -3.869 11.580 -6.544 253 HG3 GLN 461 HG1 GLN 461 -2.453 11.575 -5.495 254 HE21 GLN 461 HE21 GLN 461 -0.464 11.022 -6.332 255 HE22 GLN 461 HE22 GLN 461 -0.172 10.880 -8.033 256 H GLU 462 HN GLU 462 -2.279 8.396 -2.768 257 HA GLU 462 HA GLU 462 -0.853 10.712 -1.943 258 HB2 GLU 462 HB2 GLU 462 -1.281 8.200 -0.323 259 HB3 GLU 462 HB1 GLU 462 -0.975 9.818 0.286 260 HG2 GLU 462 HG2 GLU 462 -3.214 9.675 0.629 261 HG3 GLU 462 HG1 GLU 462 -3.204 10.366 -0.992 262 H LEU 463 HN LEU 463 0.165 7.705 -3.144 263 HA LEU 463 HA LEU 463 2.916 8.227 -2.218 264 HB2 LEU 463 HB2 LEU 463 1.865 6.286 -1.065 265 HB3 LEU 463 HB1 LEU 463 1.634 5.520 -2.624 266 HG LEU 463 HG LEU 463 4.089 5.465 -2.934 267 HD11 LEU 463 HD11 LEU 463 4.155 6.495 -0.101 268 HD12 LEU 463 HD12 LEU 463 4.696 7.362 -1.539 269 HD13 LEU 463 HD13 LEU 463 5.543 5.906 -1.012 270 HD21 LEU 463 HD21 LEU 463 2.918 3.533 -2.032 271 HD22 LEU 463 HD22 LEU 463 3.082 4.180 -0.400 272 HD23 LEU 463 HD23 LEU 463 4.516 3.691 -1.305 273 H LYS 464 HN LYS 464 1.001 8.401 -4.766 274 HA LYS 464 HA LYS 464 2.544 6.927 -6.713 275 HB2 LYS 464 HB2 LYS 464 0.181 6.994 -7.077 276 HB3 LYS 464 HB1 LYS 464 0.150 8.745 -6.936 277 HG2 LYS 464 HG2 LYS 464 -0.080 7.997 -9.253 278 HG3 LYS 464 HG1 LYS 464 1.368 8.974 -9.009 279 HD2 LYS 464 HD2 LYS 464 2.478 6.609 -8.626 280 HD3 LYS 464 HD1 LYS 464 1.108 6.066 -9.600 281 HE2 LYS 464 HE2 LYS 464 3.124 6.569 -10.951 282 HE3 LYS 464 HE1 LYS 464 1.729 7.558 -11.387 283 HZ1 LYS 464 HZ1 LYS 464 3.961 8.731 -11.131 284 HZ2 LYS 464 HZ2 LYS 464 3.758 8.523 -9.460 285 HZ3 LYS 464 HZ3 LYS 464 2.627 9.424 -10.346
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