NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
23526 | 2jwh | 15752 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 421 HT1 GLY 421 -6.627 -27.625 -28.027 2 H2 GLY 421 HT2 GLY 421 -5.763 -28.709 -29.004 3 H3 GLY 421 HT3 GLY 421 -7.433 -28.915 -28.780 4 HA2 GLY 421 HA1 GLY 421 -6.377 -26.438 -29.978 5 HA3 GLY 421 HA2 GLY 421 -6.634 -27.875 -30.961 6 H THR 422 HN THR 422 -8.363 -27.236 -32.166 7 HA THR 422 HA THR 422 -10.585 -25.800 -31.143 8 HB THR 422 HB THR 422 -10.530 -27.546 -33.612 9 HG1 THR 422 HG1 THR 422 -10.122 -24.923 -34.117 10 HG21 THR 422 HG21 THR 422 -11.991 -24.971 -33.491 11 HG22 THR 422 HG22 THR 422 -12.659 -26.306 -32.552 12 HG23 THR 422 HG23 THR 422 -12.424 -26.482 -34.291 13 H LYS 423 HN LYS 423 -12.203 -26.518 -29.933 14 HA LYS 423 HA LYS 423 -13.389 -29.114 -30.225 15 HB2 LYS 423 HB2 LYS 423 -11.276 -29.597 -28.954 16 HB3 LYS 423 HB1 LYS 423 -11.865 -28.548 -27.673 17 HG2 LYS 423 HG2 LYS 423 -13.733 -30.023 -27.266 18 HG3 LYS 423 HG1 LYS 423 -13.260 -31.040 -28.629 19 HD2 LYS 423 HD2 LYS 423 -11.147 -31.560 -27.510 20 HD3 LYS 423 HD1 LYS 423 -11.617 -30.549 -26.144 21 HE2 LYS 423 HE2 LYS 423 -12.024 -32.860 -25.608 22 HE3 LYS 423 HE1 LYS 423 -13.565 -32.018 -25.769 23 HZ1 LYS 423 HZ1 LYS 423 -14.056 -33.102 -27.722 24 HZ2 LYS 423 HZ2 LYS 423 -13.223 -34.317 -26.884 25 HZ3 LYS 423 HZ3 LYS 423 -12.436 -33.433 -28.093 26 H ALA 424 HN ALA 424 -12.996 -26.111 -28.482 27 HA ALA 424 HA ALA 424 -15.874 -25.979 -28.081 28 HB1 ALA 424 HB1 ALA 424 -14.653 -27.016 -26.025 29 HB2 ALA 424 HB2 ALA 424 -15.888 -25.780 -25.785 30 HB3 ALA 424 HB3 ALA 424 -14.181 -25.347 -25.705 31 H SER 425 HN SER 425 -12.713 -24.481 -27.908 32 HA SER 425 HA SER 425 -11.955 -22.377 -28.210 33 HG SER 425 HG SER 425 -13.668 -23.513 -30.799 34 HB2 SER 425 HB2 SER 425 -14.587 -21.947 -29.645 35 HB3 SER 425 HB1 SER 425 -13.142 -20.948 -29.799 36 H LYS 426 HN LYS 426 -13.212 -22.936 -25.781 37 HA LYS 426 HA LYS 426 -13.362 -20.392 -24.685 38 HB2 LYS 426 HB2 LYS 426 -15.699 -20.235 -23.953 39 HB3 LYS 426 HB1 LYS 426 -15.563 -20.177 -25.701 40 HG2 LYS 426 HG2 LYS 426 -16.338 -22.443 -25.892 41 HG3 LYS 426 HG1 LYS 426 -16.328 -22.632 -24.135 42 HD2 LYS 426 HD2 LYS 426 -18.019 -20.851 -23.957 43 HD3 LYS 426 HD1 LYS 426 -18.051 -20.723 -25.716 44 HE2 LYS 426 HE2 LYS 426 -18.716 -23.228 -24.176 45 HE3 LYS 426 HE1 LYS 426 -19.910 -22.070 -24.756 46 HZ1 LYS 426 HZ1 LYS 426 -18.472 -24.107 -26.195 47 HZ2 LYS 426 HZ2 LYS 426 -18.477 -22.602 -26.982 48 HZ3 LYS 426 HZ3 LYS 426 -19.940 -23.349 -26.567 49 H SER 427 HN SER 427 -14.254 -23.765 -24.431 50 HA SER 427 HA SER 427 -13.932 -25.326 -22.822 51 HG SER 427 HG SER 427 -11.794 -24.254 -23.646 52 HB2 SER 427 HB2 SER 427 -12.349 -23.196 -21.362 53 HB3 SER 427 HB1 SER 427 -12.332 -24.926 -21.020 54 H GLY 428 HN GLY 428 -15.191 -26.097 -21.225 55 HA2 GLY 428 HA2 GLY 428 -17.346 -24.564 -20.264 56 HA3 GLY 428 HA1 GLY 428 -16.867 -26.144 -19.657 57 H VAL 429 HN VAL 429 -14.399 -25.677 -18.632 58 HA VAL 429 HA VAL 429 -15.000 -23.957 -16.348 59 HB VAL 429 HB VAL 429 -12.873 -24.876 -15.388 60 HG11 VAL 429 HG11 VAL 429 -15.095 -25.811 -14.874 61 HG12 VAL 429 HG12 VAL 429 -13.816 -27.024 -14.810 62 HG13 VAL 429 HG13 VAL 429 -14.899 -26.954 -16.201 63 HG21 VAL 429 HG21 VAL 429 -12.787 -27.170 -17.165 64 HG22 VAL 429 HG22 VAL 429 -11.474 -26.172 -16.543 65 HG23 VAL 429 HG23 VAL 429 -12.359 -25.664 -17.982 66 HA PRO 430 HA PRO 430 -12.675 -20.519 -17.773 67 HB2 PRO 430 HB2 PRO 430 -11.691 -20.174 -15.003 68 HB3 PRO 430 HB1 PRO 430 -12.633 -19.070 -16.009 69 HG2 PRO 430 HG2 PRO 430 -13.760 -20.363 -13.964 70 HG3 PRO 430 HG1 PRO 430 -14.645 -20.082 -15.475 71 HD2 PRO 430 HD2 PRO 430 -13.317 -22.580 -14.494 72 HD3 PRO 430 HD1 PRO 430 -14.869 -22.383 -15.334 73 H VAL 431 HN VAL 431 -11.054 -22.844 -15.687 74 HA VAL 431 HA VAL 431 -8.945 -23.668 -15.606 75 HB VAL 431 HB VAL 431 -8.499 -22.543 -18.378 76 HG11 VAL 431 HG11 VAL 431 -7.366 -24.972 -16.990 77 HG12 VAL 431 HG12 VAL 431 -6.524 -23.444 -17.244 78 HG13 VAL 431 HG13 VAL 431 -6.983 -24.437 -18.627 79 HG21 VAL 431 HG21 VAL 431 -10.652 -23.886 -18.101 80 HG22 VAL 431 HG22 VAL 431 -9.605 -25.277 -17.815 81 HG23 VAL 431 HG23 VAL 431 -9.526 -24.414 -19.351 82 H THR 432 HN THR 432 -9.172 -21.452 -14.220 83 HA THR 432 HA THR 432 -7.547 -19.273 -14.958 84 HB THR 432 HB THR 432 -8.213 -20.183 -12.153 85 HG1 THR 432 HG1 THR 432 -10.147 -19.946 -13.220 86 HG21 THR 432 HG21 THR 432 -7.953 -17.329 -12.952 87 HG22 THR 432 HG22 THR 432 -6.474 -18.270 -12.764 88 HG23 THR 432 HG23 THR 432 -7.593 -18.107 -11.410 89 H GLN 433 HN GLN 433 -5.407 -19.024 -14.977 90 HA GLN 433 HA GLN 433 -3.697 -21.205 -14.191 91 HB2 GLN 433 HB2 GLN 433 -3.200 -19.991 -16.234 92 HB3 GLN 433 HB1 GLN 433 -3.100 -18.477 -15.348 93 HG2 GLN 433 HG2 GLN 433 -1.167 -19.423 -14.096 94 HG3 GLN 433 HG1 GLN 433 -1.222 -20.816 -15.172 95 HE21 GLN 433 HE21 GLN 433 -2.170 -18.488 -17.154 96 HE22 GLN 433 HE22 GLN 433 -0.645 -17.929 -17.759 97 H THR 434 HN THR 434 -3.976 -17.769 -13.299 98 HA THR 434 HA THR 434 -3.513 -18.236 -10.540 99 HB THR 434 HB THR 434 -1.216 -18.647 -11.156 100 HG1 THR 434 HG1 THR 434 -1.023 -15.973 -10.318 101 HG21 THR 434 HG21 THR 434 -0.374 -17.755 -13.016 102 HG22 THR 434 HG22 THR 434 -0.268 -16.211 -12.171 103 HG23 THR 434 HG23 THR 434 -1.703 -16.598 -13.118 104 H GLN 435 HN GLN 435 -4.000 -16.442 -9.325 105 HA GLN 435 HA GLN 435 -4.243 -13.854 -10.668 106 HB2 GLN 435 HB2 GLN 435 -6.526 -15.272 -9.290 107 HB3 GLN 435 HB1 GLN 435 -6.528 -13.551 -9.645 108 HG2 GLN 435 HG2 GLN 435 -6.314 -14.058 -12.036 109 HG3 GLN 435 HG1 GLN 435 -6.371 -15.781 -11.656 110 HE21 GLN 435 HE21 GLN 435 -8.155 -13.293 -12.734 111 HE22 GLN 435 HE22 GLN 435 -9.735 -13.836 -12.273 112 H THR 436 HN THR 436 -2.301 -14.471 -8.943 113 HA THR 436 HA THR 436 -1.314 -14.058 -6.930 114 HB THR 436 HB THR 436 -1.364 -11.877 -8.110 115 HG1 THR 436 HG1 THR 436 -0.803 -12.349 -5.579 116 HG21 THR 436 HG21 THR 436 -2.845 -10.083 -7.251 117 HG22 THR 436 HG22 THR 436 -3.752 -11.304 -6.359 118 HG23 THR 436 HG23 THR 436 -3.716 -11.348 -8.121 119 H ALA 437 HN ALA 437 -3.299 -15.721 -6.358 120 HA ALA 437 HA ALA 437 -5.216 -14.809 -4.487 121 HB1 ALA 437 HB1 ALA 437 -5.563 -17.182 -3.989 122 HB2 ALA 437 HB2 ALA 437 -4.118 -17.579 -4.919 123 HB3 ALA 437 HB3 ALA 437 -5.517 -16.867 -5.724 124 H GLY 438 HN GLY 438 -1.893 -15.818 -4.164 125 HA2 GLY 438 HA2 GLY 438 -1.935 -16.363 -1.376 126 HA3 GLY 438 HA1 GLY 438 -0.507 -16.013 -2.339 127 H ALA 439 HN ALA 439 -1.107 -13.472 -3.240 128 HA ALA 439 HA ALA 439 -0.389 -11.874 -1.011 129 HB1 ALA 439 HB1 ALA 439 -1.043 -10.008 -2.785 130 HB2 ALA 439 HB2 ALA 439 -0.972 -11.387 -3.882 131 HB3 ALA 439 HB3 ALA 439 0.442 -10.949 -2.924 132 H ASP 440 HN ASP 440 -1.559 -10.105 -0.091 133 HA ASP 440 HA ASP 440 -4.344 -10.709 0.387 134 HB2 ASP 440 HB2 ASP 440 -2.437 -8.626 1.436 135 HB3 ASP 440 HB1 ASP 440 -4.159 -8.535 1.779 136 H THR 441 HN THR 441 -3.790 -10.055 -2.307 137 HA THR 441 HA THR 441 -4.671 -8.901 -4.041 138 HB THR 441 HB THR 441 -6.323 -7.482 -1.940 139 HG1 THR 441 HG1 THR 441 -6.421 -9.960 -3.032 140 HG21 THR 441 HG21 THR 441 -5.970 -6.467 -4.362 141 HG22 THR 441 HG22 THR 441 -7.557 -6.472 -3.593 142 HG23 THR 441 HG23 THR 441 -7.156 -7.699 -4.793 143 H THR 442 HN THR 442 -4.259 -6.603 -1.352 144 HA THR 442 HA THR 442 -2.057 -5.349 -2.709 145 HB THR 442 HB THR 442 -4.421 -3.587 -2.014 146 HG1 THR 442 HG1 THR 442 -3.679 -4.821 -4.447 147 HG21 THR 442 HG21 THR 442 -3.081 -1.981 -3.484 148 HG22 THR 442 HG22 THR 442 -1.741 -3.110 -3.289 149 HG23 THR 442 HG23 THR 442 -2.442 -2.322 -1.875 150 H ALA 443 HN ALA 443 -0.736 -5.644 -1.001 151 HA ALA 443 HA ALA 443 -1.627 -5.368 1.697 152 HB1 ALA 443 HB1 ALA 443 0.288 -6.841 0.716 153 HB2 ALA 443 HB2 ALA 443 0.443 -6.152 2.331 154 HB3 ALA 443 HB3 ALA 443 1.266 -5.394 0.969 155 H GLU 444 HN GLU 444 -2.441 -3.214 1.756 156 HA GLU 444 HA GLU 444 -0.744 -1.006 1.147 157 HB2 GLU 444 HB2 GLU 444 -3.371 -1.078 2.622 158 HB3 GLU 444 HB1 GLU 444 -2.559 0.383 2.078 159 HG2 GLU 444 HG2 GLU 444 -2.713 -0.482 -0.248 160 HG3 GLU 444 HG1 GLU 444 -3.703 -1.806 0.364 161 H LYS 445 HN LYS 445 0.223 -2.861 3.083 162 HA LYS 445 HA LYS 445 0.575 -1.189 5.462 163 HB2 LYS 445 HB2 LYS 445 1.613 -3.957 4.802 164 HB3 LYS 445 HB1 LYS 445 1.978 -3.084 6.283 165 HG2 LYS 445 HG2 LYS 445 -0.778 -3.917 5.392 166 HG3 LYS 445 HG1 LYS 445 0.212 -4.759 6.587 167 HD2 LYS 445 HD2 LYS 445 0.187 -2.797 8.021 168 HD3 LYS 445 HD1 LYS 445 -0.735 -1.902 6.812 169 HE2 LYS 445 HE2 LYS 445 -2.215 -2.689 8.552 170 HE3 LYS 445 HE1 LYS 445 -2.567 -3.526 7.042 171 HZ1 LYS 445 HZ1 LYS 445 -1.129 -4.587 9.405 172 HZ2 LYS 445 HZ2 LYS 445 -1.132 -5.375 7.905 173 HZ3 LYS 445 HZ3 LYS 445 -2.588 -5.137 8.739 174 H CYS 446 HN CYS 446 1.935 -2.154 2.470 175 HA CYS 446 HA CYS 446 4.615 -1.232 2.950 176 HB2 CYS 446 HB2 CYS 446 3.171 -1.640 0.320 177 HB3 CYS 446 HB1 CYS 446 4.911 -1.510 0.550 178 H LYS 447 HN LYS 447 1.707 -0.020 1.385 179 HA LYS 447 HA LYS 447 2.721 2.393 0.411 180 HB2 LYS 447 HB2 LYS 447 0.510 1.230 -0.111 181 HB3 LYS 447 HB1 LYS 447 -0.100 1.948 1.372 182 HG2 LYS 447 HG2 LYS 447 -0.726 3.231 -0.604 183 HG3 LYS 447 HG1 LYS 447 0.290 4.165 0.494 184 HD2 LYS 447 HD2 LYS 447 2.082 4.160 -0.939 185 HD3 LYS 447 HD1 LYS 447 1.600 2.642 -1.701 186 HE2 LYS 447 HE2 LYS 447 0.173 5.273 -2.052 187 HE3 LYS 447 HE1 LYS 447 1.349 4.606 -3.185 188 HZ1 LYS 447 HZ1 LYS 447 -0.385 2.560 -2.850 189 HZ2 LYS 447 HZ2 LYS 447 -0.420 3.663 -4.138 190 HZ3 LYS 447 HZ3 LYS 447 -1.418 3.903 -2.786 191 H GLY 448 HN GLY 448 3.547 4.047 1.519 192 HA2 GLY 448 HA2 GLY 448 2.980 5.855 3.120 193 HA3 GLY 448 HA1 GLY 448 2.442 4.584 4.210 194 H LYS 449 HN LYS 449 4.750 2.880 3.329 195 HA LYS 449 HA LYS 449 6.540 3.641 5.401 196 HB2 LYS 449 HB2 LYS 449 6.791 1.590 3.202 197 HB3 LYS 449 HB1 LYS 449 7.970 1.790 4.490 198 HG2 LYS 449 HG2 LYS 449 6.200 1.295 6.135 199 HG3 LYS 449 HG1 LYS 449 5.090 0.990 4.795 200 HD2 LYS 449 HD2 LYS 449 6.487 -0.804 3.991 201 HD3 LYS 449 HD1 LYS 449 7.698 -0.454 5.226 202 HE2 LYS 449 HE2 LYS 449 4.873 -1.371 5.736 203 HE3 LYS 449 HE1 LYS 449 6.318 -2.378 5.825 204 HZ1 LYS 449 HZ1 LYS 449 6.059 0.064 7.473 205 HZ2 LYS 449 HZ2 LYS 449 7.061 -1.283 7.715 206 HZ3 LYS 449 HZ3 LYS 449 5.393 -1.413 7.979 207 H GLY 450 HN GLY 450 8.589 4.456 5.323 208 HA2 GLY 450 HA2 GLY 450 9.350 5.988 2.978 209 HA3 GLY 450 HA1 GLY 450 10.228 5.894 4.502 210 H GLU 451 HN GLU 451 11.806 5.752 2.411 211 HA GLU 451 HA GLU 451 12.122 3.336 1.080 212 HB2 GLU 451 HB2 GLU 451 13.334 5.268 0.365 213 HB3 GLU 451 HB1 GLU 451 14.157 5.396 1.913 214 HG2 GLU 451 HG2 GLU 451 15.299 3.253 1.438 215 HG3 GLU 451 HG1 GLU 451 14.523 3.230 -0.145 216 H LYS 452 HN LYS 452 13.509 4.362 4.183 217 HA LYS 452 HA LYS 452 15.041 2.035 4.608 218 HB2 LYS 452 HB2 LYS 452 15.139 2.741 6.969 219 HB3 LYS 452 HB1 LYS 452 15.482 4.064 5.866 220 HG2 LYS 452 HG2 LYS 452 13.297 4.995 6.212 221 HG3 LYS 452 HG1 LYS 452 12.812 3.598 7.174 222 HD2 LYS 452 HD2 LYS 452 13.361 5.468 8.621 223 HD3 LYS 452 HD1 LYS 452 14.530 4.164 8.835 224 HE2 LYS 452 HE2 LYS 452 15.716 6.249 8.763 225 HE3 LYS 452 HE1 LYS 452 16.060 5.358 7.282 226 HZ1 LYS 452 HZ1 LYS 452 15.628 7.700 6.853 227 HZ2 LYS 452 HZ2 LYS 452 14.088 7.565 7.546 228 HZ3 LYS 452 HZ3 LYS 452 14.451 6.726 6.117 229 H ASP 453 HN ASP 453 11.727 2.861 5.501 230 HA ASP 453 HA ASP 453 11.270 0.579 7.120 231 HB2 ASP 453 HB2 ASP 453 9.233 2.244 5.624 232 HB3 ASP 453 HB1 ASP 453 8.913 1.176 6.986 233 H CYS 454 HN CYS 454 10.588 1.350 3.757 234 HA CYS 454 HA CYS 454 9.098 -0.904 3.097 235 HB2 CYS 454 HB2 CYS 454 9.503 1.254 1.732 236 HB3 CYS 454 HB1 CYS 454 10.977 0.468 1.179 237 H LYS 455 HN LYS 455 9.711 -2.950 3.341 238 HA LYS 455 HA LYS 455 12.493 -3.747 2.988 239 HB2 LYS 455 HB2 LYS 455 10.041 -5.440 3.523 240 HB3 LYS 455 HB1 LYS 455 11.706 -5.998 3.566 241 HG2 LYS 455 HG2 LYS 455 12.146 -4.494 5.457 242 HG3 LYS 455 HG1 LYS 455 10.452 -3.993 5.431 243 HD2 LYS 455 HD2 LYS 455 9.784 -6.336 5.816 244 HD3 LYS 455 HD1 LYS 455 11.486 -6.788 5.915 245 HE2 LYS 455 HE2 LYS 455 11.759 -5.276 7.835 246 HE3 LYS 455 HE1 LYS 455 10.046 -4.868 7.743 247 HZ1 LYS 455 HZ1 LYS 455 10.653 -7.701 7.904 248 HZ2 LYS 455 HZ2 LYS 455 9.443 -6.806 8.685 249 HZ3 LYS 455 HZ3 LYS 455 11.027 -6.802 9.291 250 H SER 456 HN SER 456 13.282 -4.439 1.092 251 HA SER 456 HA SER 456 11.782 -4.248 -1.255 252 HG SER 456 HG SER 456 15.095 -3.618 -0.753 253 HB2 SER 456 HB2 SER 456 14.438 -5.606 -0.766 254 HB3 SER 456 HB1 SER 456 13.754 -5.311 -2.365 255 HA PRO 457 HA PRO 457 11.641 -9.159 -1.356 256 HB2 PRO 457 HB2 PRO 457 11.409 -10.222 1.178 257 HB3 PRO 457 HB1 PRO 457 12.896 -10.221 0.223 258 HG2 PRO 457 HG2 PRO 457 12.040 -8.355 2.398 259 HG3 PRO 457 HG1 PRO 457 13.638 -9.065 2.091 260 HD2 PRO 457 HD2 PRO 457 13.091 -6.537 1.415 261 HD3 PRO 457 HD1 PRO 457 14.113 -7.564 0.387 262 H ASP 458 HN ASP 458 10.219 -7.121 1.094 263 HA ASP 458 HA ASP 458 7.699 -8.532 1.114 264 HB2 ASP 458 HB2 ASP 458 8.886 -6.227 2.598 265 HB3 ASP 458 HB1 ASP 458 7.138 -6.403 2.568 266 H CYS 459 HN CYS 459 8.908 -5.354 0.074 267 HA CYS 459 HA CYS 459 6.502 -5.025 -1.590 268 HB2 CYS 459 HB2 CYS 459 7.629 -2.762 0.040 269 HB3 CYS 459 HB1 CYS 459 6.051 -2.880 -0.730 270 H LYS 460 HN LYS 460 6.777 -3.723 -3.417 271 HA LYS 460 HA LYS 460 9.541 -3.486 -4.296 272 HB2 LYS 460 HB2 LYS 460 7.645 -4.493 -5.670 273 HB3 LYS 460 HB1 LYS 460 7.037 -2.858 -5.858 274 HG2 LYS 460 HG2 LYS 460 8.271 -3.457 -7.810 275 HG3 LYS 460 HG1 LYS 460 9.177 -2.228 -6.927 276 HD2 LYS 460 HD2 LYS 460 10.764 -3.777 -6.179 277 HD3 LYS 460 HD1 LYS 460 9.723 -5.153 -6.545 278 HE2 LYS 460 HE2 LYS 460 11.577 -4.913 -8.154 279 HE3 LYS 460 HE1 LYS 460 9.993 -4.790 -8.916 280 HZ1 LYS 460 HZ1 LYS 460 11.705 -3.125 -9.639 281 HZ2 LYS 460 HZ2 LYS 460 11.560 -2.407 -8.107 282 HZ3 LYS 460 HZ3 LYS 460 10.220 -2.474 -9.147 283 H TRP 461 HN TRP 461 10.591 -1.656 -3.830 284 HA TRP 461 HA TRP 461 9.179 0.835 -3.383 285 HD1 TRP 461 HD1 TRP 461 13.209 2.512 -3.984 286 HE1 TRP 461 HE1 TRP 461 13.049 4.896 -3.018 287 HE3 TRP 461 HE3 TRP 461 9.285 1.820 -0.801 288 HZ2 TRP 461 HZ2 TRP 461 11.451 6.282 -1.145 289 HZ3 TRP 461 HZ3 TRP 461 8.505 3.719 0.535 290 HH2 TRP 461 HH2 TRP 461 9.559 5.909 0.366 291 HB2 TRP 461 HB2 TRP 461 11.110 0.179 -1.970 292 HB3 TRP 461 HB1 TRP 461 12.149 0.230 -3.388 293 H GLU 462 HN GLU 462 8.481 1.866 -5.186 294 HA GLU 462 HA GLU 462 10.470 2.348 -7.296 295 HB2 GLU 462 HB2 GLU 462 7.614 1.551 -7.868 296 HB3 GLU 462 HB1 GLU 462 8.863 1.902 -9.051 297 HG2 GLU 462 HG2 GLU 462 10.132 -0.050 -8.227 298 HG3 GLU 462 HG1 GLU 462 8.786 -0.427 -7.152 299 H GLY 463 HN GLY 463 10.526 4.362 -8.017 300 HA2 GLY 463 HA2 GLY 463 10.023 6.572 -8.308 301 HA3 GLY 463 HA1 GLY 463 8.341 6.065 -8.351 302 H GLY 464 HN GLY 464 10.648 5.830 -5.683 303 HA2 GLY 464 HA2 GLY 464 10.611 6.700 -3.561 304 HA3 GLY 464 HA1 GLY 464 9.817 8.101 -4.262 305 H THR 465 HN THR 465 8.549 4.825 -4.280 306 HA THR 465 HA THR 465 6.643 5.454 -2.185 307 HB THR 465 HB THR 465 5.796 4.735 -4.974 308 HG1 THR 465 HG1 THR 465 6.216 7.114 -3.776 309 HG21 THR 465 HG21 THR 465 3.717 4.314 -4.229 310 HG22 THR 465 HG22 THR 465 3.789 5.588 -3.013 311 HG23 THR 465 HG23 THR 465 4.527 4.019 -2.692 312 H CYS 466 HN CYS 466 6.229 3.712 -0.984 313 HA CYS 466 HA CYS 466 7.277 1.129 -1.840 314 HB2 CYS 466 HB2 CYS 466 7.654 2.068 0.477 315 HB3 CYS 466 HB1 CYS 466 5.935 1.844 0.774 316 H LYS 467 HN LYS 467 6.003 -0.414 -2.702 317 HA LYS 467 HA LYS 467 3.150 -0.403 -2.112 318 HB2 LYS 467 HB2 LYS 467 2.628 -0.422 -4.574 319 HB3 LYS 467 HB1 LYS 467 3.184 1.112 -3.925 320 HG2 LYS 467 HG2 LYS 467 5.408 0.700 -4.829 321 HG3 LYS 467 HG1 LYS 467 4.860 -0.853 -5.471 322 HD2 LYS 467 HD2 LYS 467 3.267 0.268 -6.908 323 HD3 LYS 467 HD1 LYS 467 3.694 1.832 -6.207 324 HE2 LYS 467 HE2 LYS 467 5.929 1.663 -7.096 325 HE3 LYS 467 HE1 LYS 467 5.606 0.034 -7.689 326 HZ1 LYS 467 HZ1 LYS 467 5.351 2.283 -9.143 327 HZ2 LYS 467 HZ2 LYS 467 3.753 2.030 -8.639 328 HZ3 LYS 467 HZ3 LYS 467 4.572 0.816 -9.489 329 H ASP 468 HN ASP 468 2.109 -2.262 -2.449 330 HA ASP 468 HA ASP 468 3.738 -4.640 -2.924 331 HB2 ASP 468 HB2 ASP 468 2.371 -4.759 -0.950 332 HB3 ASP 468 HB1 ASP 468 0.942 -4.240 -1.838 Start of MODEL 2 1 H1 GLY 421 HT1 GLY 421 -13.995 2.504 -20.475 2 H2 GLY 421 HT2 GLY 421 -14.965 2.224 -19.112 3 H3 GLY 421 HT3 GLY 421 -15.552 1.859 -20.662 4 HA2 GLY 421 HA1 GLY 421 -13.159 0.550 -19.520 5 HA3 GLY 421 HA2 GLY 421 -14.780 -0.085 -19.280 6 H THR 422 HN THR 422 -12.385 -1.115 -20.731 7 HA THR 422 HA THR 422 -13.273 -1.139 -23.502 8 HB THR 422 HB THR 422 -10.935 -2.644 -22.322 9 HG1 THR 422 HG1 THR 422 -11.214 0.082 -23.081 10 HG21 THR 422 HG21 THR 422 -11.444 -1.582 -25.107 11 HG22 THR 422 HG22 THR 422 -11.650 -3.262 -24.610 12 HG23 THR 422 HG23 THR 422 -10.047 -2.527 -24.584 13 H LYS 423 HN LYS 423 -13.009 -3.320 -20.735 14 HA LYS 423 HA LYS 423 -13.664 -5.706 -22.118 15 HB2 LYS 423 HB2 LYS 423 -14.083 -5.059 -19.195 16 HB3 LYS 423 HB1 LYS 423 -14.062 -6.665 -19.904 17 HG2 LYS 423 HG2 LYS 423 -11.711 -4.797 -19.985 18 HG3 LYS 423 HG1 LYS 423 -11.979 -5.964 -18.694 19 HD2 LYS 423 HD2 LYS 423 -10.510 -7.052 -20.147 20 HD3 LYS 423 HD1 LYS 423 -12.088 -7.719 -20.564 21 HE2 LYS 423 HE2 LYS 423 -12.238 -6.263 -22.487 22 HE3 LYS 423 HE1 LYS 423 -10.736 -5.458 -22.032 23 HZ1 LYS 423 HZ1 LYS 423 -11.109 -7.856 -23.514 24 HZ2 LYS 423 HZ2 LYS 423 -10.110 -8.129 -22.167 25 HZ3 LYS 423 HZ3 LYS 423 -9.704 -6.932 -23.294 26 H ALA 424 HN ALA 424 -15.548 -6.534 -22.746 27 HA ALA 424 HA ALA 424 -17.917 -4.887 -22.435 28 HB1 ALA 424 HB1 ALA 424 -18.000 -5.500 -24.584 29 HB2 ALA 424 HB2 ALA 424 -18.691 -7.000 -23.968 30 HB3 ALA 424 HB3 ALA 424 -16.966 -6.906 -24.323 31 H SER 425 HN SER 425 -17.296 -5.993 -20.000 32 HA SER 425 HA SER 425 -18.872 -8.374 -19.566 33 HG SER 425 HG SER 425 -16.600 -8.483 -19.060 34 HB2 SER 425 HB2 SER 425 -17.699 -6.431 -17.555 35 HB3 SER 425 HB1 SER 425 -18.334 -8.039 -17.201 36 H LYS 426 HN LYS 426 -21.004 -8.325 -19.556 37 HA LYS 426 HA LYS 426 -22.420 -5.869 -19.584 38 HB2 LYS 426 HB2 LYS 426 -23.020 -7.972 -20.845 39 HB3 LYS 426 HB1 LYS 426 -23.613 -8.628 -19.324 40 HG2 LYS 426 HG2 LYS 426 -25.208 -6.770 -19.160 41 HG3 LYS 426 HG1 LYS 426 -24.628 -6.154 -20.709 42 HD2 LYS 426 HD2 LYS 426 -25.258 -8.390 -21.697 43 HD3 LYS 426 HD1 LYS 426 -26.064 -8.744 -20.165 44 HE2 LYS 426 HE2 LYS 426 -27.667 -7.890 -21.771 45 HE3 LYS 426 HE1 LYS 426 -27.456 -6.740 -20.451 46 HZ1 LYS 426 HZ1 LYS 426 -25.894 -6.477 -22.942 47 HZ2 LYS 426 HZ2 LYS 426 -26.275 -5.289 -21.794 48 HZ3 LYS 426 HZ3 LYS 426 -27.476 -5.868 -22.843 49 H SER 427 HN SER 427 -22.295 -8.524 -17.222 50 HA SER 427 HA SER 427 -24.118 -7.157 -15.443 51 HG SER 427 HG SER 427 -25.064 -9.225 -16.080 52 HB2 SER 427 HB2 SER 427 -22.493 -9.669 -14.976 53 HB3 SER 427 HB1 SER 427 -23.850 -9.105 -14.001 54 H GLY 428 HN GLY 428 -22.088 -5.450 -15.832 55 HA2 GLY 428 HA2 GLY 428 -20.784 -4.043 -14.553 56 HA3 GLY 428 HA1 GLY 428 -21.048 -5.108 -13.180 57 H VAL 429 HN VAL 429 -18.641 -3.778 -14.636 58 HA VAL 429 HA VAL 429 -17.003 -6.080 -15.245 59 HB VAL 429 HB VAL 429 -15.144 -4.397 -15.448 60 HG11 VAL 429 HG11 VAL 429 -17.080 -3.242 -17.259 61 HG12 VAL 429 HG12 VAL 429 -17.241 -4.996 -17.168 62 HG13 VAL 429 HG13 VAL 429 -15.692 -4.273 -17.602 63 HG21 VAL 429 HG21 VAL 429 -17.378 -2.406 -15.051 64 HG22 VAL 429 HG22 VAL 429 -15.730 -2.030 -15.548 65 HG23 VAL 429 HG23 VAL 429 -16.037 -2.688 -13.941 66 HA PRO 430 HA PRO 430 -15.750 -6.600 -11.002 67 HB2 PRO 430 HB2 PRO 430 -13.869 -8.589 -11.961 68 HB3 PRO 430 HB1 PRO 430 -15.360 -8.832 -11.053 69 HG2 PRO 430 HG2 PRO 430 -15.044 -9.604 -13.648 70 HG3 PRO 430 HG1 PRO 430 -16.610 -9.165 -12.941 71 HD2 PRO 430 HD2 PRO 430 -14.778 -7.528 -14.659 72 HD3 PRO 430 HD1 PRO 430 -16.550 -7.660 -14.711 73 H VAL 431 HN VAL 431 -14.659 -4.405 -12.188 74 HA VAL 431 HA VAL 431 -11.812 -4.596 -12.439 75 HB VAL 431 HB VAL 431 -13.260 -3.060 -13.768 76 HG11 VAL 431 HG11 VAL 431 -13.723 -1.873 -11.096 77 HG12 VAL 431 HG12 VAL 431 -14.812 -2.041 -12.475 78 HG13 VAL 431 HG13 VAL 431 -13.583 -0.774 -12.470 79 HG21 VAL 431 HG21 VAL 431 -11.709 -1.099 -13.631 80 HG22 VAL 431 HG22 VAL 431 -10.928 -2.669 -13.827 81 HG23 VAL 431 HG23 VAL 431 -10.951 -1.887 -12.246 82 H THR 432 HN THR 432 -12.644 -5.472 -9.908 83 HA THR 432 HA THR 432 -12.107 -3.418 -7.955 84 HB THR 432 HB THR 432 -11.974 -6.351 -7.340 85 HG1 THR 432 HG1 THR 432 -14.069 -6.611 -7.679 86 HG21 THR 432 HG21 THR 432 -11.564 -4.849 -5.504 87 HG22 THR 432 HG22 THR 432 -13.162 -5.560 -5.287 88 HG23 THR 432 HG23 THR 432 -13.006 -3.911 -5.890 89 H GLN 433 HN GLN 433 -10.057 -3.222 -9.596 90 HA GLN 433 HA GLN 433 -7.782 -4.155 -8.029 91 HB2 GLN 433 HB2 GLN 433 -8.258 -4.888 -10.911 92 HB3 GLN 433 HB1 GLN 433 -6.631 -4.790 -10.256 93 HG2 GLN 433 HG2 GLN 433 -7.098 -6.536 -8.682 94 HG3 GLN 433 HG1 GLN 433 -8.799 -6.551 -9.142 95 HE21 GLN 433 HE21 GLN 433 -5.860 -8.010 -9.590 96 HE22 GLN 433 HE22 GLN 433 -6.194 -8.848 -11.073 97 H THR 434 HN THR 434 -9.176 -1.624 -8.712 98 HA THR 434 HA THR 434 -7.347 -0.177 -10.415 99 HB THR 434 HB THR 434 -9.527 0.995 -8.688 100 HG1 THR 434 HG1 THR 434 -9.668 -0.247 -11.251 101 HG21 THR 434 HG21 THR 434 -8.389 2.799 -9.550 102 HG22 THR 434 HG22 THR 434 -9.538 2.505 -10.857 103 HG23 THR 434 HG23 THR 434 -7.878 1.926 -10.991 104 H GLN 435 HN GLN 435 -5.723 1.142 -9.779 105 HA GLN 435 HA GLN 435 -4.810 0.956 -7.067 106 HB2 GLN 435 HB2 GLN 435 -3.310 1.018 -9.085 107 HB3 GLN 435 HB1 GLN 435 -3.736 2.714 -9.279 108 HG2 GLN 435 HG2 GLN 435 -2.836 3.148 -7.016 109 HG3 GLN 435 HG1 GLN 435 -2.304 1.467 -6.948 110 HE21 GLN 435 HE21 GLN 435 -1.215 4.439 -7.396 111 HE22 GLN 435 HE22 GLN 435 0.092 4.163 -8.500 112 H THR 436 HN THR 436 -5.110 2.332 -5.458 113 HA THR 436 HA THR 436 -5.647 4.169 -4.234 114 HB THR 436 HB THR 436 -5.768 5.727 -6.821 115 HG1 THR 436 HG1 THR 436 -3.667 5.549 -6.845 116 HG21 THR 436 HG21 THR 436 -5.590 7.667 -5.518 117 HG22 THR 436 HG22 THR 436 -5.086 6.770 -4.086 118 HG23 THR 436 HG23 THR 436 -6.756 6.675 -4.644 119 H ALA 437 HN ALA 437 -7.524 4.400 -7.276 120 HA ALA 437 HA ALA 437 -9.891 5.253 -5.911 121 HB1 ALA 437 HB1 ALA 437 -10.776 5.598 -7.966 122 HB2 ALA 437 HB2 ALA 437 -10.131 4.092 -8.618 123 HB3 ALA 437 HB3 ALA 437 -9.082 5.500 -8.450 124 H GLY 438 HN GLY 438 -10.782 3.869 -4.508 125 HA2 GLY 438 HA2 GLY 438 -11.975 2.036 -3.774 126 HA3 GLY 438 HA1 GLY 438 -12.040 1.468 -5.437 127 H ALA 439 HN ALA 439 -9.290 2.158 -3.312 128 HA ALA 439 HA ALA 439 -7.914 -0.196 -4.173 129 HB1 ALA 439 HB1 ALA 439 -7.257 2.231 -2.844 130 HB2 ALA 439 HB2 ALA 439 -6.181 1.044 -3.580 131 HB3 ALA 439 HB3 ALA 439 -6.648 0.878 -1.888 132 H ASP 440 HN ASP 440 -10.323 -0.963 -3.018 133 HA ASP 440 HA ASP 440 -9.908 -1.951 -0.351 134 HB2 ASP 440 HB2 ASP 440 -11.981 -2.470 -2.466 135 HB3 ASP 440 HB1 ASP 440 -11.914 -3.447 -1.004 136 H THR 441 HN THR 441 -9.333 -3.043 -3.571 137 HA THR 441 HA THR 441 -8.855 -5.780 -3.057 138 HB THR 441 HB THR 441 -9.161 -5.205 -5.324 139 HG1 THR 441 HG1 THR 441 -7.643 -6.579 -5.807 140 HG21 THR 441 HG21 THR 441 -7.202 -3.028 -4.764 141 HG22 THR 441 HG22 THR 441 -8.761 -2.953 -5.586 142 HG23 THR 441 HG23 THR 441 -7.359 -3.639 -6.410 143 H THR 442 HN THR 442 -6.861 -2.900 -2.892 144 HA THR 442 HA THR 442 -4.400 -4.283 -2.505 145 HB THR 442 HB THR 442 -5.068 -1.399 -1.899 146 HG1 THR 442 HG1 THR 442 -4.573 -2.786 -4.299 147 HG21 THR 442 HG21 THR 442 -2.566 -1.238 -2.627 148 HG22 THR 442 HG22 THR 442 -2.524 -2.945 -2.186 149 HG23 THR 442 HG23 THR 442 -2.967 -1.734 -0.983 150 H ALA 443 HN ALA 443 -3.648 -5.127 -0.699 151 HA ALA 443 HA ALA 443 -4.883 -4.511 1.868 152 HB1 ALA 443 HB1 ALA 443 -4.294 -6.582 2.455 153 HB2 ALA 443 HB2 ALA 443 -2.611 -6.268 2.021 154 HB3 ALA 443 HB3 ALA 443 -3.750 -6.833 0.795 155 H GLU 444 HN GLU 444 -4.078 -2.290 1.766 156 HA GLU 444 HA GLU 444 -1.410 -1.743 1.282 157 HB2 GLU 444 HB2 GLU 444 -1.848 0.493 1.800 158 HB3 GLU 444 HB1 GLU 444 -3.379 -0.133 1.213 159 HG2 GLU 444 HG2 GLU 444 -4.097 -0.407 3.575 160 HG3 GLU 444 HG1 GLU 444 -2.600 0.387 4.064 161 H LYS 445 HN LYS 445 0.296 -2.112 2.336 162 HA LYS 445 HA LYS 445 0.446 -1.846 5.234 163 HB2 LYS 445 HB2 LYS 445 -0.010 -4.234 4.831 164 HB3 LYS 445 HB1 LYS 445 1.332 -4.305 3.696 165 HG2 LYS 445 HG2 LYS 445 2.865 -3.727 5.534 166 HG3 LYS 445 HG1 LYS 445 1.505 -3.796 6.656 167 HD2 LYS 445 HD2 LYS 445 2.537 -6.070 4.956 168 HD3 LYS 445 HD1 LYS 445 2.757 -5.890 6.697 169 HE2 LYS 445 HE2 LYS 445 0.119 -6.213 5.271 170 HE3 LYS 445 HE1 LYS 445 0.963 -7.470 6.172 171 HZ1 LYS 445 HZ1 LYS 445 -0.327 -5.017 7.215 172 HZ2 LYS 445 HZ2 LYS 445 0.797 -5.898 8.137 173 HZ3 LYS 445 HZ3 LYS 445 -0.646 -6.632 7.622 174 H CYS 446 HN CYS 446 1.958 -2.337 2.128 175 HA CYS 446 HA CYS 446 4.564 -1.386 2.880 176 HB2 CYS 446 HB2 CYS 446 3.302 -1.518 0.129 177 HB3 CYS 446 HB1 CYS 446 5.019 -1.393 0.495 178 H LYS 447 HN LYS 447 1.568 -0.084 1.680 179 HA LYS 447 HA LYS 447 2.287 2.421 0.773 180 HB2 LYS 447 HB2 LYS 447 0.029 1.499 0.583 181 HB3 LYS 447 HB1 LYS 447 -0.183 1.611 2.324 182 HG2 LYS 447 HG2 LYS 447 -1.337 3.444 1.466 183 HG3 LYS 447 HG1 LYS 447 0.191 4.114 2.043 184 HD2 LYS 447 HD2 LYS 447 -0.303 5.072 -0.101 185 HD3 LYS 447 HD1 LYS 447 1.060 3.967 -0.286 186 HE2 LYS 447 HE2 LYS 447 -0.382 2.266 -1.189 187 HE3 LYS 447 HE1 LYS 447 -1.809 3.254 -0.878 188 HZ1 LYS 447 HZ1 LYS 447 -0.155 3.232 -3.142 189 HZ2 LYS 447 HZ2 LYS 447 -0.039 4.762 -2.425 190 HZ3 LYS 447 HZ3 LYS 447 -1.554 4.146 -2.868 191 H GLY 448 HN GLY 448 3.066 4.216 1.689 192 HA2 GLY 448 HA2 GLY 448 3.066 5.887 3.374 193 HA3 GLY 448 HA1 GLY 448 2.598 4.667 4.549 194 H LYS 449 HN LYS 449 4.766 2.869 3.373 195 HA LYS 449 HA LYS 449 6.726 3.549 5.303 196 HB2 LYS 449 HB2 LYS 449 6.754 1.530 3.068 197 HB3 LYS 449 HB1 LYS 449 8.012 1.658 4.289 198 HG2 LYS 449 HG2 LYS 449 6.317 1.216 6.022 199 HG3 LYS 449 HG1 LYS 449 5.119 0.986 4.745 200 HD2 LYS 449 HD2 LYS 449 6.294 -0.889 3.875 201 HD3 LYS 449 HD1 LYS 449 7.682 -0.576 4.917 202 HE2 LYS 449 HE2 LYS 449 4.931 -1.452 5.766 203 HE3 LYS 449 HE1 LYS 449 6.421 -2.393 5.820 204 HZ1 LYS 449 HZ1 LYS 449 5.517 -0.244 7.584 205 HZ2 LYS 449 HZ2 LYS 449 7.185 -0.356 7.281 206 HZ3 LYS 449 HZ3 LYS 449 6.353 -1.672 7.957 207 H GLY 450 HN GLY 450 8.655 4.485 5.160 208 HA2 GLY 450 HA2 GLY 450 9.403 5.906 2.753 209 HA3 GLY 450 HA1 GLY 450 10.306 5.850 4.264 210 H GLU 451 HN GLU 451 11.882 5.625 2.177 211 HA GLU 451 HA GLU 451 12.100 3.074 0.997 212 HB2 GLU 451 HB2 GLU 451 13.180 5.357 0.355 213 HB3 GLU 451 HB1 GLU 451 14.476 4.849 1.424 214 HG2 GLU 451 HG2 GLU 451 13.494 3.217 -0.899 215 HG3 GLU 451 HG1 GLU 451 14.818 4.372 -1.006 216 H LYS 452 HN LYS 452 13.651 4.502 3.840 217 HA LYS 452 HA LYS 452 15.083 2.069 4.476 218 HB2 LYS 452 HB2 LYS 452 14.834 4.761 5.799 219 HB3 LYS 452 HB1 LYS 452 15.613 3.410 6.611 220 HG2 LYS 452 HG2 LYS 452 17.287 4.780 5.572 221 HG3 LYS 452 HG1 LYS 452 17.195 3.235 4.728 222 HD2 LYS 452 HD2 LYS 452 15.725 4.335 3.036 223 HD3 LYS 452 HD1 LYS 452 16.060 5.874 3.831 224 HE2 LYS 452 HE2 LYS 452 18.323 5.815 3.240 225 HE3 LYS 452 HE1 LYS 452 18.273 4.090 2.869 226 HZ1 LYS 452 HZ1 LYS 452 16.727 6.091 1.322 227 HZ2 LYS 452 HZ2 LYS 452 17.082 4.485 0.904 228 HZ3 LYS 452 HZ3 LYS 452 18.316 5.654 0.909 229 H ASP 453 HN ASP 453 12.323 1.746 4.275 230 HA ASP 453 HA ASP 453 11.795 0.502 6.832 231 HB2 ASP 453 HB2 ASP 453 10.801 2.844 6.973 232 HB3 ASP 453 HB1 ASP 453 9.710 2.365 5.678 233 H CYS 454 HN CYS 454 10.686 1.349 3.613 234 HA CYS 454 HA CYS 454 8.909 -0.706 3.071 235 HB2 CYS 454 HB2 CYS 454 9.402 1.292 1.610 236 HB3 CYS 454 HB1 CYS 454 10.906 0.507 1.143 237 H LYS 455 HN LYS 455 9.311 -2.792 3.455 238 HA LYS 455 HA LYS 455 11.908 -3.967 3.319 239 HB2 LYS 455 HB2 LYS 455 9.209 -4.808 4.054 240 HB3 LYS 455 HB1 LYS 455 10.097 -6.060 3.201 241 HG2 LYS 455 HG2 LYS 455 10.384 -6.339 5.567 242 HG3 LYS 455 HG1 LYS 455 11.919 -5.854 4.846 243 HD2 LYS 455 HD2 LYS 455 10.259 -3.623 5.772 244 HD3 LYS 455 HD1 LYS 455 10.788 -4.717 7.052 245 HE2 LYS 455 HE2 LYS 455 12.603 -3.408 5.031 246 HE3 LYS 455 HE1 LYS 455 12.350 -2.841 6.681 247 HZ1 LYS 455 HZ1 LYS 455 13.018 -5.353 7.166 248 HZ2 LYS 455 HZ2 LYS 455 14.164 -4.114 7.035 249 HZ3 LYS 455 HZ3 LYS 455 13.870 -5.133 5.716 250 H SER 456 HN SER 456 12.926 -4.767 1.604 251 HA SER 456 HA SER 456 11.785 -4.572 -0.983 252 HG SER 456 HG SER 456 13.723 -3.456 -0.023 253 HB2 SER 456 HB2 SER 456 14.302 -6.023 -0.133 254 HB3 SER 456 HB1 SER 456 13.891 -5.526 -1.775 255 HA PRO 457 HA PRO 457 11.563 -9.437 -0.819 256 HB2 PRO 457 HB2 PRO 457 11.026 -10.430 1.685 257 HB3 PRO 457 HB1 PRO 457 12.624 -10.433 0.935 258 HG2 PRO 457 HG2 PRO 457 11.473 -8.545 2.943 259 HG3 PRO 457 HG1 PRO 457 13.107 -9.226 2.850 260 HD2 PRO 457 HD2 PRO 457 12.564 -6.713 2.055 261 HD3 PRO 457 HD1 PRO 457 13.784 -7.714 1.242 262 H ASP 458 HN ASP 458 9.857 -7.474 1.572 263 HA ASP 458 HA ASP 458 7.352 -8.817 1.212 264 HB2 ASP 458 HB2 ASP 458 8.306 -6.457 2.779 265 HB3 ASP 458 HB1 ASP 458 6.582 -6.681 2.534 266 H CYS 459 HN CYS 459 8.776 -5.765 0.116 267 HA CYS 459 HA CYS 459 6.415 -5.342 -1.605 268 HB2 CYS 459 HB2 CYS 459 7.924 -3.148 -0.190 269 HB3 CYS 459 HB1 CYS 459 6.361 -3.045 -0.990 270 H LYS 460 HN LYS 460 7.575 -2.777 -2.439 271 HA LYS 460 HA LYS 460 10.162 -3.186 -3.523 272 HB2 LYS 460 HB2 LYS 460 9.648 -3.296 -5.884 273 HB3 LYS 460 HB1 LYS 460 8.902 -4.659 -5.064 274 HG2 LYS 460 HG2 LYS 460 6.746 -3.661 -5.200 275 HG3 LYS 460 HG1 LYS 460 7.429 -2.140 -5.781 276 HD2 LYS 460 HD2 LYS 460 6.520 -3.309 -7.658 277 HD3 LYS 460 HD1 LYS 460 8.280 -3.359 -7.774 278 HE2 LYS 460 HE2 LYS 460 7.411 -5.529 -8.325 279 HE3 LYS 460 HE1 LYS 460 8.225 -5.629 -6.765 280 HZ1 LYS 460 HZ1 LYS 460 5.891 -6.688 -7.112 281 HZ2 LYS 460 HZ2 LYS 460 5.335 -5.111 -6.831 282 HZ3 LYS 460 HZ3 LYS 460 6.260 -5.909 -5.651 283 H TRP 461 HN TRP 461 10.978 -1.307 -4.512 284 HA TRP 461 HA TRP 461 9.426 1.062 -3.768 285 HD1 TRP 461 HD1 TRP 461 12.936 3.491 -4.868 286 HE1 TRP 461 HE1 TRP 461 12.471 5.657 -3.543 287 HE3 TRP 461 HE3 TRP 461 9.672 1.645 -1.384 288 HZ2 TRP 461 HZ2 TRP 461 10.934 6.448 -1.305 289 HZ3 TRP 461 HZ3 TRP 461 8.775 3.162 0.309 290 HH2 TRP 461 HH2 TRP 461 9.381 5.520 0.343 291 HB2 TRP 461 HB2 TRP 461 11.851 0.563 -3.016 292 HB3 TRP 461 HB1 TRP 461 12.305 1.038 -4.647 293 H GLU 462 HN GLU 462 8.675 2.495 -5.214 294 HA GLU 462 HA GLU 462 9.774 2.513 -7.924 295 HB2 GLU 462 HB2 GLU 462 7.818 1.083 -8.134 296 HB3 GLU 462 HB1 GLU 462 6.825 2.259 -7.287 297 HG2 GLU 462 HG2 GLU 462 6.332 2.419 -9.606 298 HG3 GLU 462 HG1 GLU 462 7.245 3.856 -9.150 299 H GLY 463 HN GLY 463 10.296 4.532 -8.415 300 HA2 GLY 463 HA2 GLY 463 10.334 6.829 -8.453 301 HA3 GLY 463 HA1 GLY 463 8.643 6.797 -7.961 302 H GLY 464 HN GLY 464 8.104 6.919 -5.822 303 HA2 GLY 464 HA2 GLY 464 10.221 6.957 -3.832 304 HA3 GLY 464 HA1 GLY 464 9.301 8.448 -4.004 305 H THR 465 HN THR 465 8.023 5.193 -4.413 306 HA THR 465 HA THR 465 6.631 5.410 -1.849 307 HB THR 465 HB THR 465 4.558 4.490 -3.141 308 HG1 THR 465 HG1 THR 465 5.897 5.982 -5.183 309 HG21 THR 465 HG21 THR 465 5.406 7.024 -2.270 310 HG22 THR 465 HG22 THR 465 3.755 6.431 -2.459 311 HG23 THR 465 HG23 THR 465 4.556 7.260 -3.797 312 H CYS 466 HN CYS 466 6.069 3.544 -0.889 313 HA CYS 466 HA CYS 466 7.447 1.178 -1.785 314 HB2 CYS 466 HB2 CYS 466 7.336 1.963 0.614 315 HB3 CYS 466 HB1 CYS 466 5.639 1.499 0.614 316 H LYS 467 HN LYS 467 6.543 -0.001 -3.307 317 HA LYS 467 HA LYS 467 3.674 -0.066 -3.695 318 HB2 LYS 467 HB2 LYS 467 5.815 -1.572 -5.203 319 HB3 LYS 467 HB1 LYS 467 4.169 -1.259 -5.733 320 HG2 LYS 467 HG2 LYS 467 5.989 1.031 -5.154 321 HG3 LYS 467 HG1 LYS 467 6.155 0.142 -6.667 322 HD2 LYS 467 HD2 LYS 467 4.727 1.980 -7.109 323 HD3 LYS 467 HD1 LYS 467 3.698 0.551 -7.042 324 HE2 LYS 467 HE2 LYS 467 3.067 1.121 -4.747 325 HE3 LYS 467 HE1 LYS 467 4.091 2.555 -4.825 326 HZ1 LYS 467 HZ1 LYS 467 1.506 2.599 -5.381 327 HZ2 LYS 467 HZ2 LYS 467 2.104 2.257 -6.933 328 HZ3 LYS 467 HZ3 LYS 467 2.617 3.652 -6.119 329 H ASP 468 HN ASP 468 2.347 -1.798 -3.373 330 HA ASP 468 HA ASP 468 3.351 -3.936 -1.685 331 HB2 ASP 468 HB2 ASP 468 0.996 -4.589 -1.477 332 HB3 ASP 468 HB1 ASP 468 1.207 -2.881 -1.114 Start of MODEL 3 1 H1 GLY 421 HT1 GLY 421 -20.054 0.890 10.817 2 H2 GLY 421 HT2 GLY 421 -19.770 0.244 9.275 3 H3 GLY 421 HT3 GLY 421 -20.668 -0.635 10.414 4 HA2 GLY 421 HA1 GLY 421 -21.861 1.889 10.067 5 HA3 GLY 421 HA2 GLY 421 -21.623 1.134 8.498 6 H THR 422 HN THR 422 -23.919 1.595 10.634 7 HA THR 422 HA THR 422 -25.041 -1.119 10.321 8 HB THR 422 HB THR 422 -25.759 0.689 12.621 9 HG1 THR 422 HG1 THR 422 -23.425 0.231 12.543 10 HG21 THR 422 HG21 THR 422 -26.189 -1.583 13.679 11 HG22 THR 422 HG22 THR 422 -25.971 -2.267 12.068 12 HG23 THR 422 HG23 THR 422 -27.276 -1.120 12.369 13 H LYS 423 HN LYS 423 -25.476 0.698 8.344 14 HA LYS 423 HA LYS 423 -27.971 2.097 8.812 15 HB2 LYS 423 HB2 LYS 423 -26.492 1.585 6.222 16 HB3 LYS 423 HB1 LYS 423 -27.844 2.688 6.437 17 HG2 LYS 423 HG2 LYS 423 -25.158 2.952 7.775 18 HG3 LYS 423 HG1 LYS 423 -25.685 3.848 6.350 19 HD2 LYS 423 HD2 LYS 423 -27.464 4.890 7.626 20 HD3 LYS 423 HD1 LYS 423 -27.040 3.934 9.047 21 HE2 LYS 423 HE2 LYS 423 -24.856 5.012 9.135 22 HE3 LYS 423 HE1 LYS 423 -25.243 5.942 7.689 23 HZ1 LYS 423 HZ1 LYS 423 -27.167 6.860 9.001 24 HZ2 LYS 423 HZ2 LYS 423 -25.629 7.360 9.501 25 HZ3 LYS 423 HZ3 LYS 423 -26.459 6.175 10.384 26 H ALA 424 HN ALA 424 -29.912 1.202 8.642 27 HA ALA 424 HA ALA 424 -30.266 -1.537 8.254 28 HB1 ALA 424 HB1 ALA 424 -32.514 0.394 7.836 29 HB2 ALA 424 HB2 ALA 424 -31.778 0.206 9.428 30 HB3 ALA 424 HB3 ALA 424 -32.525 -1.180 8.632 31 H SER 425 HN SER 425 -30.041 -2.647 6.465 32 HA SER 425 HA SER 425 -31.463 -2.108 4.076 33 HG SER 425 HG SER 425 -30.377 -1.653 1.926 34 HB2 SER 425 HB2 SER 425 -29.790 -0.350 3.783 35 HB3 SER 425 HB1 SER 425 -28.492 -1.510 4.057 36 H LYS 426 HN LYS 426 -31.582 -3.906 2.857 37 HA LYS 426 HA LYS 426 -30.454 -6.340 3.819 38 HB2 LYS 426 HB2 LYS 426 -31.488 -7.353 1.826 39 HB3 LYS 426 HB1 LYS 426 -32.617 -6.300 2.664 40 HG2 LYS 426 HG2 LYS 426 -32.048 -4.515 0.996 41 HG3 LYS 426 HG1 LYS 426 -31.141 -5.737 0.103 42 HD2 LYS 426 HD2 LYS 426 -33.282 -5.623 -0.900 43 HD3 LYS 426 HD1 LYS 426 -33.259 -7.104 0.057 44 HE2 LYS 426 HE2 LYS 426 -35.359 -5.945 0.359 45 HE3 LYS 426 HE1 LYS 426 -34.442 -5.936 1.865 46 HZ1 LYS 426 HZ1 LYS 426 -35.575 -3.773 0.887 47 HZ2 LYS 426 HZ2 LYS 426 -34.094 -3.652 0.075 48 HZ3 LYS 426 HZ3 LYS 426 -34.127 -3.707 1.769 49 H SER 427 HN SER 427 -29.796 -4.176 1.130 50 HA SER 427 HA SER 427 -27.020 -4.649 1.136 51 HG SER 427 HG SER 427 -27.766 -6.992 0.962 52 HB2 SER 427 HB2 SER 427 -28.559 -5.828 -1.202 53 HB3 SER 427 HB1 SER 427 -26.819 -5.556 -1.193 54 H GLY 428 HN GLY 428 -26.004 -2.921 0.116 55 HA2 GLY 428 HA2 GLY 428 -25.942 -1.323 -1.690 56 HA3 GLY 428 HA1 GLY 428 -27.695 -1.264 -1.640 57 H VAL 429 HN VAL 429 -28.066 -0.927 1.115 58 HA VAL 429 HA VAL 429 -28.173 0.655 2.743 59 HB VAL 429 HB VAL 429 -25.634 1.782 1.541 60 HG11 VAL 429 HG11 VAL 429 -25.940 2.409 4.297 61 HG12 VAL 429 HG12 VAL 429 -27.411 2.895 3.455 62 HG13 VAL 429 HG13 VAL 429 -25.847 3.508 2.922 63 HG21 VAL 429 HG21 VAL 429 -25.704 0.342 4.141 64 HG22 VAL 429 HG22 VAL 429 -24.419 0.443 2.939 65 HG23 VAL 429 HG23 VAL 429 -25.800 -0.615 2.664 66 HA PRO 430 HA PRO 430 -30.783 3.371 0.416 67 HB2 PRO 430 HB2 PRO 430 -31.095 4.679 3.071 68 HB3 PRO 430 HB1 PRO 430 -32.328 4.077 1.956 69 HG2 PRO 430 HG2 PRO 430 -31.738 2.725 4.163 70 HG3 PRO 430 HG1 PRO 430 -32.063 1.876 2.639 71 HD2 PRO 430 HD2 PRO 430 -29.449 2.428 3.983 72 HD3 PRO 430 HD1 PRO 430 -29.984 0.978 3.109 73 H VAL 431 HN VAL 431 -28.880 4.991 2.985 74 HA VAL 431 HA VAL 431 -28.623 7.338 1.301 75 HB VAL 431 HB VAL 431 -27.420 8.359 3.180 76 HG11 VAL 431 HG11 VAL 431 -29.270 8.610 4.605 77 HG12 VAL 431 HG12 VAL 431 -29.849 6.975 4.279 78 HG13 VAL 431 HG13 VAL 431 -29.960 8.216 3.030 79 HG21 VAL 431 HG21 VAL 431 -26.981 7.229 5.219 80 HG22 VAL 431 HG22 VAL 431 -26.363 6.193 3.932 81 HG23 VAL 431 HG23 VAL 431 -27.898 5.812 4.710 82 H THR 432 HN THR 432 -27.239 4.567 1.047 83 HA THR 432 HA THR 432 -25.256 3.671 0.407 84 HB THR 432 HB THR 432 -24.149 4.831 -1.429 85 HG1 THR 432 HG1 THR 432 -25.235 7.051 -0.192 86 HG21 THR 432 HG21 THR 432 -25.897 4.722 -2.903 87 HG22 THR 432 HG22 THR 432 -27.008 5.561 -1.820 88 HG23 THR 432 HG23 THR 432 -26.595 3.873 -1.523 89 H GLN 433 HN GLN 433 -22.904 5.584 -0.267 90 HA GLN 433 HA GLN 433 -20.923 6.082 0.693 91 HB2 GLN 433 HB2 GLN 433 -22.349 8.055 1.274 92 HB3 GLN 433 HB1 GLN 433 -22.644 7.320 2.845 93 HG2 GLN 433 HG2 GLN 433 -20.288 7.427 3.373 94 HG3 GLN 433 HG1 GLN 433 -19.932 8.069 1.773 95 HE21 GLN 433 HE21 GLN 433 -22.777 9.432 2.536 96 HE22 GLN 433 HE22 GLN 433 -22.229 10.881 3.303 97 H THR 434 HN THR 434 -22.278 6.035 3.891 98 HA THR 434 HA THR 434 -22.052 4.690 5.702 99 HB THR 434 HB THR 434 -20.954 2.525 3.910 100 HG1 THR 434 HG1 THR 434 -23.282 3.647 3.635 101 HG21 THR 434 HG21 THR 434 -20.825 2.336 6.443 102 HG22 THR 434 HG22 THR 434 -21.644 1.020 5.599 103 HG23 THR 434 HG23 THR 434 -22.588 2.263 6.423 104 H GLN 435 HN GLN 435 -19.347 3.974 3.512 105 HA GLN 435 HA GLN 435 -17.421 5.287 5.139 106 HB2 GLN 435 HB2 GLN 435 -17.656 3.335 6.564 107 HB3 GLN 435 HB1 GLN 435 -17.488 2.258 5.185 108 HG2 GLN 435 HG2 GLN 435 -15.181 3.137 4.870 109 HG3 GLN 435 HG1 GLN 435 -15.371 4.034 6.369 110 HE21 GLN 435 HE21 GLN 435 -14.329 1.197 5.010 111 HE22 GLN 435 HE22 GLN 435 -14.205 0.238 6.448 112 H THR 436 HN THR 436 -15.758 5.842 3.849 113 HA THR 436 HA THR 436 -14.801 4.201 1.715 114 HB THR 436 HB THR 436 -16.890 4.957 0.666 115 HG1 THR 436 HG1 THR 436 -14.536 6.168 -0.417 116 HG21 THR 436 HG21 THR 436 -17.391 6.992 1.732 117 HG22 THR 436 HG22 THR 436 -17.038 7.422 0.058 118 HG23 THR 436 HG23 THR 436 -15.829 7.693 1.314 119 H ALA 437 HN ALA 437 -13.839 5.725 4.011 120 HA ALA 437 HA ALA 437 -12.383 8.000 3.032 121 HB1 ALA 437 HB1 ALA 437 -11.135 7.767 5.205 122 HB2 ALA 437 HB2 ALA 437 -12.167 6.381 5.562 123 HB3 ALA 437 HB3 ALA 437 -12.879 7.983 5.355 124 H GLY 438 HN GLY 438 -11.588 4.651 3.856 125 HA2 GLY 438 HA2 GLY 438 -8.972 4.890 2.558 126 HA3 GLY 438 HA1 GLY 438 -9.582 3.483 3.430 127 H ALA 439 HN ALA 439 -12.103 3.356 2.190 128 HA ALA 439 HA ALA 439 -13.137 2.307 0.468 129 HB1 ALA 439 HB1 ALA 439 -11.257 3.684 -1.424 130 HB2 ALA 439 HB2 ALA 439 -12.503 4.578 -0.551 131 HB3 ALA 439 HB3 ALA 439 -12.962 3.277 -1.651 132 H ASP 440 HN ASP 440 -11.576 1.769 -2.129 133 HA ASP 440 HA ASP 440 -9.925 -0.441 -1.111 134 HB2 ASP 440 HB2 ASP 440 -12.184 -1.198 -1.962 135 HB3 ASP 440 HB1 ASP 440 -11.691 -0.632 -3.556 136 H THR 441 HN THR 441 -8.979 2.069 -1.800 137 HA THR 441 HA THR 441 -7.964 1.971 -4.507 138 HB THR 441 HB THR 441 -6.845 3.892 -2.536 139 HG1 THR 441 HG1 THR 441 -9.581 3.765 -3.315 140 HG21 THR 441 HG21 THR 441 -6.568 3.716 -5.157 141 HG22 THR 441 HG22 THR 441 -6.667 5.285 -4.360 142 HG23 THR 441 HG23 THR 441 -8.089 4.609 -5.151 143 H THR 442 HN THR 442 -7.165 -0.292 -3.327 144 HA THR 442 HA THR 442 -5.356 -1.613 -2.956 145 HB THR 442 HB THR 442 -3.669 0.831 -3.551 146 HG1 THR 442 HG1 THR 442 -4.617 -1.249 -5.280 147 HG21 THR 442 HG21 THR 442 -2.365 -1.486 -4.391 148 HG22 THR 442 HG22 THR 442 -3.032 -1.896 -2.811 149 HG23 THR 442 HG23 THR 442 -1.965 -0.503 -2.983 150 H ALA 443 HN ALA 443 -5.966 -1.804 -0.762 151 HA ALA 443 HA ALA 443 -4.993 0.004 1.242 152 HB1 ALA 443 HB1 ALA 443 -6.599 -0.994 2.398 153 HB2 ALA 443 HB2 ALA 443 -5.613 -2.460 2.434 154 HB3 ALA 443 HB3 ALA 443 -6.786 -2.216 1.137 155 H GLU 444 HN GLU 444 -2.876 -0.813 -0.334 156 HA GLU 444 HA GLU 444 -1.487 -3.027 0.713 157 HB2 GLU 444 HB2 GLU 444 -1.097 -2.064 -1.528 158 HB3 GLU 444 HB1 GLU 444 -0.429 -0.621 -0.777 159 HG2 GLU 444 HG2 GLU 444 1.231 -2.272 -1.637 160 HG3 GLU 444 HG1 GLU 444 1.430 -1.794 0.048 161 H LYS 445 HN LYS 445 -0.526 -3.201 2.586 162 HA LYS 445 HA LYS 445 -0.417 -1.005 4.378 163 HB2 LYS 445 HB2 LYS 445 0.667 -3.809 4.665 164 HB3 LYS 445 HB1 LYS 445 0.544 -2.637 5.970 165 HG2 LYS 445 HG2 LYS 445 -1.761 -3.772 4.401 166 HG3 LYS 445 HG1 LYS 445 -1.289 -4.237 6.036 167 HD2 LYS 445 HD2 LYS 445 -1.751 -1.979 6.827 168 HD3 LYS 445 HD1 LYS 445 -2.170 -1.476 5.188 169 HE2 LYS 445 HE2 LYS 445 -4.169 -1.913 6.517 170 HE3 LYS 445 HE1 LYS 445 -4.034 -3.045 5.172 171 HZ1 LYS 445 HZ1 LYS 445 -3.552 -4.784 6.561 172 HZ2 LYS 445 HZ2 LYS 445 -4.623 -3.897 7.532 173 HZ3 LYS 445 HZ3 LYS 445 -2.953 -3.794 7.801 174 H CYS 446 HN CYS 446 1.921 -2.537 2.301 175 HA CYS 446 HA CYS 446 4.211 -1.414 3.599 176 HB2 CYS 446 HB2 CYS 446 5.473 -2.155 1.711 177 HB3 CYS 446 HB1 CYS 446 4.306 -3.400 2.094 178 H LYS 447 HN LYS 447 1.934 -0.406 1.214 179 HA LYS 447 HA LYS 447 3.246 1.916 0.260 180 HB2 LYS 447 HB2 LYS 447 1.273 0.941 -0.844 181 HB3 LYS 447 HB1 LYS 447 0.292 1.328 0.560 182 HG2 LYS 447 HG2 LYS 447 0.454 3.652 0.145 183 HG3 LYS 447 HG1 LYS 447 1.709 3.411 -1.075 184 HD2 LYS 447 HD2 LYS 447 0.122 2.267 -2.517 185 HD3 LYS 447 HD1 LYS 447 -1.132 2.409 -1.286 186 HE2 LYS 447 HE2 LYS 447 0.241 4.787 -2.517 187 HE3 LYS 447 HE1 LYS 447 -1.233 4.080 -3.178 188 HZ1 LYS 447 HZ1 LYS 447 -1.077 4.933 -0.348 189 HZ2 LYS 447 HZ2 LYS 447 -2.455 4.684 -1.305 190 HZ3 LYS 447 HZ3 LYS 447 -1.464 6.035 -1.580 191 H GLY 448 HN GLY 448 4.068 3.319 1.660 192 HA2 GLY 448 HA2 GLY 448 3.109 5.230 3.156 193 HA3 GLY 448 HA1 GLY 448 2.617 3.863 4.147 194 H LYS 449 HN LYS 449 4.937 2.275 3.466 195 HA LYS 449 HA LYS 449 6.745 3.129 5.488 196 HB2 LYS 449 HB2 LYS 449 7.182 1.102 3.278 197 HB3 LYS 449 HB1 LYS 449 8.134 1.252 4.750 198 HG2 LYS 449 HG2 LYS 449 5.191 0.703 4.842 199 HG3 LYS 449 HG1 LYS 449 6.367 -0.592 4.621 200 HD2 LYS 449 HD2 LYS 449 6.561 1.364 6.895 201 HD3 LYS 449 HD1 LYS 449 5.585 -0.103 7.006 202 HE2 LYS 449 HE2 LYS 449 8.523 -0.054 6.323 203 HE3 LYS 449 HE1 LYS 449 7.882 -0.340 7.940 204 HZ1 LYS 449 HZ1 LYS 449 7.549 -2.050 5.537 205 HZ2 LYS 449 HZ2 LYS 449 6.635 -2.253 6.946 206 HZ3 LYS 449 HZ3 LYS 449 8.318 -2.440 6.995 207 H GLY 450 HN GLY 450 8.743 4.105 5.324 208 HA2 GLY 450 HA2 GLY 450 9.189 5.823 3.084 209 HA3 GLY 450 HA1 GLY 450 10.273 5.599 4.447 210 H GLU 451 HN GLU 451 11.706 5.891 2.372 211 HA GLU 451 HA GLU 451 11.947 3.815 0.519 212 HB2 GLU 451 HB2 GLU 451 12.972 6.010 0.192 213 HB3 GLU 451 HB1 GLU 451 14.096 5.697 1.509 214 HG2 GLU 451 HG2 GLU 451 15.012 3.799 0.221 215 HG3 GLU 451 HG1 GLU 451 13.937 4.220 -1.110 216 H LYS 452 HN LYS 452 13.643 4.306 3.598 217 HA LYS 452 HA LYS 452 15.212 1.931 3.358 218 HB2 LYS 452 HB2 LYS 452 14.509 3.536 5.818 219 HB3 LYS 452 HB1 LYS 452 15.743 2.287 5.733 220 HG2 LYS 452 HG2 LYS 452 16.975 3.628 4.096 221 HG3 LYS 452 HG1 LYS 452 15.746 4.887 4.216 222 HD2 LYS 452 HD2 LYS 452 17.511 3.900 6.453 223 HD3 LYS 452 HD1 LYS 452 17.679 5.432 5.594 224 HE2 LYS 452 HE2 LYS 452 15.293 4.604 7.241 225 HE3 LYS 452 HE1 LYS 452 16.574 5.688 7.780 226 HZ1 LYS 452 HZ1 LYS 452 14.747 6.183 5.485 227 HZ2 LYS 452 HZ2 LYS 452 15.975 7.225 6.017 228 HZ3 LYS 452 HZ3 LYS 452 14.638 6.909 7.014 229 H ASP 453 HN ASP 453 12.209 2.773 4.989 230 HA ASP 453 HA ASP 453 11.814 0.316 6.317 231 HB2 ASP 453 HB2 ASP 453 9.996 2.570 5.540 232 HB3 ASP 453 HB1 ASP 453 9.327 1.093 6.222 233 H CYS 454 HN CYS 454 11.077 1.377 3.078 234 HA CYS 454 HA CYS 454 9.310 -0.747 2.412 235 HB2 CYS 454 HB2 CYS 454 9.606 1.498 1.196 236 HB3 CYS 454 HB1 CYS 454 11.029 0.774 0.458 237 H LYS 455 HN LYS 455 10.284 -2.646 3.083 238 HA LYS 455 HA LYS 455 12.935 -3.342 2.181 239 HB2 LYS 455 HB2 LYS 455 10.871 -4.953 3.699 240 HB3 LYS 455 HB1 LYS 455 12.531 -5.455 3.408 241 HG2 LYS 455 HG2 LYS 455 13.336 -3.551 4.708 242 HG3 LYS 455 HG1 LYS 455 11.669 -3.049 4.999 243 HD2 LYS 455 HD2 LYS 455 11.234 -5.174 6.134 244 HD3 LYS 455 HD1 LYS 455 12.905 -5.663 5.853 245 HE2 LYS 455 HE2 LYS 455 13.685 -3.771 7.186 246 HE3 LYS 455 HE1 LYS 455 12.017 -3.274 7.465 247 HZ1 LYS 455 HZ1 LYS 455 13.344 -5.751 8.424 248 HZ2 LYS 455 HZ2 LYS 455 11.671 -5.494 8.519 249 HZ3 LYS 455 HZ3 LYS 455 12.732 -4.477 9.360 250 H SER 456 HN SER 456 13.457 -5.016 0.760 251 HA SER 456 HA SER 456 11.781 -5.315 -1.462 252 HG SER 456 HG SER 456 14.032 -4.482 -1.337 253 HB2 SER 456 HB2 SER 456 14.084 -7.112 -0.668 254 HB3 SER 456 HB1 SER 456 13.436 -6.882 -2.293 255 HA PRO 457 HA PRO 457 10.645 -9.753 0.188 256 HB2 PRO 457 HB2 PRO 457 10.935 -9.467 3.101 257 HB3 PRO 457 HB1 PRO 457 11.457 -10.784 2.049 258 HG2 PRO 457 HG2 PRO 457 13.214 -9.104 3.197 259 HG3 PRO 457 HG1 PRO 457 13.484 -9.795 1.585 260 HD2 PRO 457 HD2 PRO 457 12.523 -7.063 2.341 261 HD3 PRO 457 HD1 PRO 457 13.663 -7.544 1.067 262 H ASP 458 HN ASP 458 10.157 -6.809 1.987 263 HA ASP 458 HA ASP 458 7.513 -7.497 2.897 264 HB2 ASP 458 HB2 ASP 458 9.109 -6.005 4.160 265 HB3 ASP 458 HB1 ASP 458 8.844 -4.781 2.925 266 H CYS 459 HN CYS 459 8.916 -5.408 0.397 267 HA CYS 459 HA CYS 459 6.404 -5.303 -1.042 268 HB2 CYS 459 HB2 CYS 459 6.220 -3.631 0.822 269 HB3 CYS 459 HB1 CYS 459 7.573 -2.770 0.133 270 H LYS 460 HN LYS 460 7.110 -2.777 -2.240 271 HA LYS 460 HA LYS 460 9.689 -3.191 -3.532 272 HB2 LYS 460 HB2 LYS 460 7.070 -3.143 -5.057 273 HB3 LYS 460 HB1 LYS 460 8.640 -2.905 -5.807 274 HG2 LYS 460 HG2 LYS 460 7.844 -5.386 -4.305 275 HG3 LYS 460 HG1 LYS 460 7.734 -5.195 -6.055 276 HD2 LYS 460 HD2 LYS 460 10.101 -4.943 -6.250 277 HD3 LYS 460 HD1 LYS 460 10.289 -4.851 -4.497 278 HE2 LYS 460 HE2 LYS 460 9.237 -7.254 -5.984 279 HE3 LYS 460 HE1 LYS 460 10.910 -7.057 -5.461 280 HZ1 LYS 460 HZ1 LYS 460 8.584 -7.796 -3.936 281 HZ2 LYS 460 HZ2 LYS 460 9.509 -6.581 -3.199 282 HZ3 LYS 460 HZ3 LYS 460 10.228 -8.059 -3.606 283 H TRP 461 HN TRP 461 10.659 -1.272 -3.770 284 HA TRP 461 HA TRP 461 9.106 1.145 -3.275 285 HD1 TRP 461 HD1 TRP 461 12.822 3.256 -4.417 286 HE1 TRP 461 HE1 TRP 461 12.458 5.613 -3.444 287 HE3 TRP 461 HE3 TRP 461 9.302 2.140 -0.886 288 HZ2 TRP 461 HZ2 TRP 461 10.878 6.822 -1.442 289 HZ3 TRP 461 HZ3 TRP 461 8.429 3.948 0.513 290 HH2 TRP 461 HH2 TRP 461 9.198 6.246 0.240 291 HB2 TRP 461 HB2 TRP 461 11.343 0.715 -2.187 292 HB3 TRP 461 HB1 TRP 461 12.079 0.880 -3.777 293 H GLU 462 HN GLU 462 8.228 2.233 -4.937 294 HA GLU 462 HA GLU 462 9.004 1.676 -7.638 295 HB2 GLU 462 HB2 GLU 462 6.669 2.212 -6.995 296 HB3 GLU 462 HB1 GLU 462 7.181 3.840 -6.573 297 HG2 GLU 462 HG2 GLU 462 7.944 4.093 -8.960 298 HG3 GLU 462 HG1 GLU 462 7.104 2.581 -9.298 299 H GLY 463 HN GLY 463 8.726 4.853 -6.072 300 HA2 GLY 463 HA2 GLY 463 11.440 5.572 -6.336 301 HA3 GLY 463 HA1 GLY 463 10.551 6.167 -7.734 302 H GLY 464 HN GLY 464 9.456 5.822 -4.415 303 HA2 GLY 464 HA2 GLY 464 9.684 8.257 -3.300 304 HA3 GLY 464 HA1 GLY 464 8.406 8.511 -4.484 305 H THR 465 HN THR 465 7.361 5.842 -4.284 306 HA THR 465 HA THR 465 6.269 5.821 -1.564 307 HB THR 465 HB THR 465 4.688 5.406 -4.079 308 HG1 THR 465 HG1 THR 465 4.764 7.648 -2.313 309 HG21 THR 465 HG21 THR 465 2.799 5.152 -2.769 310 HG22 THR 465 HG22 THR 465 3.534 5.959 -1.383 311 HG23 THR 465 HG23 THR 465 4.023 4.319 -1.811 312 H CYS 466 HN CYS 466 6.017 3.858 -0.664 313 HA CYS 466 HA CYS 466 7.155 1.537 -1.945 314 HB2 CYS 466 HB2 CYS 466 7.254 2.192 0.553 315 HB3 CYS 466 HB1 CYS 466 5.600 1.606 0.643 316 H LYS 467 HN LYS 467 5.951 -0.341 -2.595 317 HA LYS 467 HA LYS 467 3.174 -0.604 -2.402 318 HB2 LYS 467 HB2 LYS 467 2.454 0.011 -4.682 319 HB3 LYS 467 HB1 LYS 467 3.001 1.397 -3.753 320 HG2 LYS 467 HG2 LYS 467 5.119 1.389 -4.931 321 HG3 LYS 467 HG1 LYS 467 4.632 -0.052 -5.827 322 HD2 LYS 467 HD2 LYS 467 4.324 1.918 -7.196 323 HD3 LYS 467 HD1 LYS 467 2.757 1.210 -6.793 324 HE2 LYS 467 HE2 LYS 467 2.407 2.872 -5.073 325 HE3 LYS 467 HE1 LYS 467 4.020 3.533 -5.344 326 HZ1 LYS 467 HZ1 LYS 467 3.393 4.317 -7.466 327 HZ2 LYS 467 HZ2 LYS 467 2.154 4.785 -6.404 328 HZ3 LYS 467 HZ3 LYS 467 1.927 3.461 -7.442 329 H ASP 468 HN ASP 468 2.729 -2.631 -2.815 330 HA ASP 468 HA ASP 468 4.660 -4.216 -4.346 331 HB2 ASP 468 HB2 ASP 468 4.156 -4.814 -1.946 332 HB3 ASP 468 HB1 ASP 468 2.514 -5.194 -2.447 Start of MODEL 4 1 H1 GLY 421 HT1 GLY 421 -12.705 11.174 -6.899 2 H2 GLY 421 HT2 GLY 421 -11.031 10.973 -6.734 3 H3 GLY 421 HT3 GLY 421 -12.053 10.707 -5.405 4 HA2 GLY 421 HA1 GLY 421 -11.206 8.652 -6.537 5 HA3 GLY 421 HA2 GLY 421 -12.948 8.759 -6.314 6 H THR 422 HN THR 422 -13.676 7.620 -8.032 7 HA THR 422 HA THR 422 -13.015 8.725 -10.676 8 HB THR 422 HB THR 422 -13.385 6.354 -11.570 9 HG1 THR 422 HG1 THR 422 -13.068 4.682 -10.108 10 HG21 THR 422 HG21 THR 422 -10.924 6.277 -9.942 11 HG22 THR 422 HG22 THR 422 -11.135 7.699 -10.964 12 HG23 THR 422 HG23 THR 422 -11.143 6.088 -11.681 13 H LYS 423 HN LYS 423 -14.873 6.543 -11.730 14 HA LYS 423 HA LYS 423 -17.251 8.133 -11.680 15 HB2 LYS 423 HB2 LYS 423 -16.703 5.398 -12.845 16 HB3 LYS 423 HB1 LYS 423 -18.204 6.286 -13.066 17 HG2 LYS 423 HG2 LYS 423 -17.021 8.047 -14.236 18 HG3 LYS 423 HG1 LYS 423 -15.486 7.223 -13.956 19 HD2 LYS 423 HD2 LYS 423 -16.310 6.805 -16.220 20 HD3 LYS 423 HD1 LYS 423 -16.257 5.317 -15.273 21 HE2 LYS 423 HE2 LYS 423 -18.670 5.538 -14.834 22 HE3 LYS 423 HE1 LYS 423 -18.706 6.995 -15.827 23 HZ1 LYS 423 HZ1 LYS 423 -17.550 4.715 -17.157 24 HZ2 LYS 423 HZ2 LYS 423 -18.734 5.796 -17.696 25 HZ3 LYS 423 HZ3 LYS 423 -19.172 4.481 -16.718 26 H ALA 424 HN ALA 424 -16.181 5.144 -10.189 27 HA ALA 424 HA ALA 424 -17.031 3.813 -8.559 28 HB1 ALA 424 HB1 ALA 424 -19.072 5.918 -7.897 29 HB2 ALA 424 HB2 ALA 424 -17.385 6.071 -7.406 30 HB3 ALA 424 HB3 ALA 424 -18.348 4.708 -6.836 31 H SER 425 HN SER 425 -17.867 3.598 -11.180 32 HA SER 425 HA SER 425 -20.682 3.371 -11.426 33 HG SER 425 HG SER 425 -17.700 2.665 -14.048 34 HB2 SER 425 HB2 SER 425 -19.699 1.866 -13.470 35 HB3 SER 425 HB1 SER 425 -19.818 3.627 -13.513 36 H LYS 426 HN LYS 426 -22.000 1.699 -11.073 37 HA LYS 426 HA LYS 426 -21.132 -0.547 -9.562 38 HB2 LYS 426 HB2 LYS 426 -23.420 0.469 -9.434 39 HB3 LYS 426 HB1 LYS 426 -23.752 -0.181 -11.034 40 HG2 LYS 426 HG2 LYS 426 -23.405 -2.458 -10.152 41 HG3 LYS 426 HG1 LYS 426 -23.160 -1.771 -8.544 42 HD2 LYS 426 HD2 LYS 426 -25.416 -0.795 -8.642 43 HD3 LYS 426 HD1 LYS 426 -25.659 -1.549 -10.219 44 HE2 LYS 426 HE2 LYS 426 -26.707 -2.929 -8.574 45 HE3 LYS 426 HE1 LYS 426 -25.261 -3.762 -9.143 46 HZ1 LYS 426 HZ1 LYS 426 -25.761 -2.487 -6.539 47 HZ2 LYS 426 HZ2 LYS 426 -24.173 -2.627 -7.098 48 HZ3 LYS 426 HZ3 LYS 426 -25.117 -4.017 -6.878 49 H SER 427 HN SER 427 -21.881 0.057 -12.925 50 HA SER 427 HA SER 427 -21.571 -1.115 -14.837 51 HG SER 427 HG SER 427 -18.817 -0.691 -12.894 52 HB2 SER 427 HB2 SER 427 -19.502 -2.687 -13.285 53 HB3 SER 427 HB1 SER 427 -19.533 -2.362 -15.019 54 H GLY 428 HN GLY 428 -23.686 -1.965 -13.299 55 HA2 GLY 428 HA2 GLY 428 -25.223 -3.690 -13.326 56 HA3 GLY 428 HA1 GLY 428 -24.067 -4.667 -14.222 57 H VAL 429 HN VAL 429 -22.005 -5.091 -12.747 58 HA VAL 429 HA VAL 429 -22.794 -5.661 -9.999 59 HB VAL 429 HB VAL 429 -21.658 -7.935 -10.176 60 HG11 VAL 429 HG11 VAL 429 -23.878 -8.213 -9.803 61 HG12 VAL 429 HG12 VAL 429 -23.817 -8.857 -11.444 62 HG13 VAL 429 HG13 VAL 429 -24.348 -7.199 -11.166 63 HG21 VAL 429 HG21 VAL 429 -20.581 -7.788 -12.293 64 HG22 VAL 429 HG22 VAL 429 -22.092 -7.378 -13.105 65 HG23 VAL 429 HG23 VAL 429 -21.855 -8.996 -12.445 66 HA PRO 430 HA PRO 430 -18.769 -3.827 -9.624 67 HB2 PRO 430 HB2 PRO 430 -18.604 -4.021 -6.908 68 HB3 PRO 430 HB1 PRO 430 -19.530 -2.770 -7.744 69 HG2 PRO 430 HG2 PRO 430 -20.476 -5.323 -6.505 70 HG3 PRO 430 HG1 PRO 430 -21.216 -3.713 -6.454 71 HD2 PRO 430 HD2 PRO 430 -22.096 -5.659 -8.110 72 HD3 PRO 430 HD1 PRO 430 -22.154 -3.939 -8.547 73 H VAL 431 HN VAL 431 -16.803 -4.664 -9.738 74 HA VAL 431 HA VAL 431 -16.093 -7.059 -8.259 75 HB VAL 431 HB VAL 431 -17.059 -7.985 -10.301 76 HG11 VAL 431 HG11 VAL 431 -15.548 -5.858 -11.579 77 HG12 VAL 431 HG12 VAL 431 -16.958 -6.751 -12.148 78 HG13 VAL 431 HG13 VAL 431 -15.341 -7.423 -12.367 79 HG21 VAL 431 HG21 VAL 431 -14.061 -8.223 -10.166 80 HG22 VAL 431 HG22 VAL 431 -15.109 -9.297 -11.093 81 HG23 VAL 431 HG23 VAL 431 -15.252 -9.225 -9.337 82 H THR 432 HN THR 432 -15.147 -4.853 -7.512 83 HA THR 432 HA THR 432 -13.209 -3.771 -6.984 84 HB THR 432 HB THR 432 -11.740 -5.215 -9.184 85 HG1 THR 432 HG1 THR 432 -12.848 -6.252 -6.860 86 HG21 THR 432 HG21 THR 432 -9.954 -5.067 -7.299 87 HG22 THR 432 HG22 THR 432 -11.007 -3.816 -6.641 88 HG23 THR 432 HG23 THR 432 -10.321 -3.631 -8.256 89 H GLN 433 HN GLN 433 -12.465 -1.784 -7.597 90 HA GLN 433 HA GLN 433 -13.717 -0.588 -9.844 91 HB2 GLN 433 HB2 GLN 433 -11.993 0.348 -7.627 92 HB3 GLN 433 HB1 GLN 433 -12.023 1.349 -9.072 93 HG2 GLN 433 HG2 GLN 433 -13.655 2.126 -7.471 94 HG3 GLN 433 HG1 GLN 433 -14.457 1.505 -8.913 95 HE21 GLN 433 HE21 GLN 433 -16.142 0.283 -8.546 96 HE22 GLN 433 HE22 GLN 433 -16.427 -0.678 -7.127 97 H THR 434 HN THR 434 -12.352 -2.438 -11.101 98 HA THR 434 HA THR 434 -9.975 -1.141 -12.233 99 HB THR 434 HB THR 434 -9.610 -3.457 -11.631 100 HG1 THR 434 HG1 THR 434 -8.399 -3.312 -13.359 101 HG21 THR 434 HG21 THR 434 -11.062 -4.998 -13.412 102 HG22 THR 434 HG22 THR 434 -12.234 -3.831 -12.804 103 HG23 THR 434 HG23 THR 434 -11.345 -4.856 -11.677 104 H GLN 435 HN GLN 435 -12.119 0.259 -12.782 105 HA GLN 435 HA GLN 435 -13.405 -0.586 -15.233 106 HB2 GLN 435 HB2 GLN 435 -13.538 2.176 -14.040 107 HB3 GLN 435 HB1 GLN 435 -14.731 1.366 -15.042 108 HG2 GLN 435 HG2 GLN 435 -14.027 0.587 -12.225 109 HG3 GLN 435 HG1 GLN 435 -15.405 1.576 -12.690 110 HE21 GLN 435 HE21 GLN 435 -15.344 -0.422 -15.170 111 HE22 GLN 435 HE22 GLN 435 -16.284 -1.743 -14.554 112 H THR 436 HN THR 436 -13.028 2.636 -15.599 113 HA THR 436 HA THR 436 -11.243 2.497 -17.787 114 HB THR 436 HB THR 436 -11.876 4.980 -16.188 115 HG1 THR 436 HG1 THR 436 -13.462 3.526 -18.060 116 HG21 THR 436 HG21 THR 436 -11.631 6.112 -18.326 117 HG22 THR 436 HG22 THR 436 -11.372 4.571 -19.143 118 HG23 THR 436 HG23 THR 436 -10.181 5.167 -17.987 119 H ALA 437 HN ALA 437 -10.892 3.731 -14.477 120 HA ALA 437 HA ALA 437 -8.000 3.908 -14.741 121 HB1 ALA 437 HB1 ALA 437 -9.120 4.151 -12.055 122 HB2 ALA 437 HB2 ALA 437 -9.802 5.291 -13.214 123 HB3 ALA 437 HB3 ALA 437 -8.060 5.243 -12.944 124 H GLY 438 HN GLY 438 -6.547 2.604 -13.601 125 HA2 GLY 438 HA2 GLY 438 -7.245 -0.127 -13.405 126 HA3 GLY 438 HA1 GLY 438 -5.744 0.591 -12.836 127 H ALA 439 HN ALA 439 -7.489 -1.498 -11.670 128 HA ALA 439 HA ALA 439 -8.888 -0.493 -9.426 129 HB1 ALA 439 HB1 ALA 439 -9.529 -2.632 -9.793 130 HB2 ALA 439 HB2 ALA 439 -8.262 -2.958 -8.610 131 HB3 ALA 439 HB3 ALA 439 -7.929 -3.136 -10.334 132 H ASP 440 HN ASP 440 -8.290 -0.219 -7.307 133 HA ASP 440 HA ASP 440 -5.536 0.428 -6.818 134 HB2 ASP 440 HB2 ASP 440 -7.542 1.646 -5.847 135 HB3 ASP 440 HB1 ASP 440 -7.755 0.265 -4.776 136 H THR 441 HN THR 441 -4.974 -1.880 -7.401 137 HA THR 441 HA THR 441 -5.526 -3.994 -5.605 138 HB THR 441 HB THR 441 -4.898 -4.473 -7.895 139 HG1 THR 441 HG1 THR 441 -2.717 -5.413 -6.336 140 HG21 THR 441 HG21 THR 441 -3.327 -2.536 -8.147 141 HG22 THR 441 HG22 THR 441 -2.736 -4.056 -8.817 142 HG23 THR 441 HG23 THR 441 -2.123 -3.478 -7.267 143 H THR 442 HN THR 442 -3.045 -1.555 -5.729 144 HA THR 442 HA THR 442 -1.038 -2.701 -4.220 145 HB THR 442 HB THR 442 -1.865 0.204 -4.135 146 HG1 THR 442 HG1 THR 442 -0.391 -1.299 -6.054 147 HG21 THR 442 HG21 THR 442 0.923 -0.901 -3.951 148 HG22 THR 442 HG22 THR 442 -0.087 -0.699 -2.519 149 HG23 THR 442 HG23 THR 442 0.338 0.702 -3.502 150 H ALA 443 HN ALA 443 -0.964 -3.428 -2.211 151 HA ALA 443 HA ALA 443 -3.004 -2.768 -0.291 152 HB1 ALA 443 HB1 ALA 443 -1.916 -5.033 -0.488 153 HB2 ALA 443 HB2 ALA 443 -1.973 -4.356 1.141 154 HB3 ALA 443 HB3 ALA 443 -0.471 -4.307 0.217 155 H GLU 444 HN GLU 444 -2.861 -1.249 1.279 156 HA GLU 444 HA GLU 444 -0.492 0.406 1.233 157 HB2 GLU 444 HB2 GLU 444 -2.769 1.320 0.854 158 HB3 GLU 444 HB1 GLU 444 -3.149 0.976 2.535 159 HG2 GLU 444 HG2 GLU 444 -1.393 2.500 3.243 160 HG3 GLU 444 HG1 GLU 444 -0.977 2.813 1.560 161 H LYS 445 HN LYS 445 -0.226 -2.018 2.538 162 HA LYS 445 HA LYS 445 -0.045 -1.319 5.373 163 HB2 LYS 445 HB2 LYS 445 0.827 -3.828 3.919 164 HB3 LYS 445 HB1 LYS 445 0.909 -3.575 5.657 165 HG2 LYS 445 HG2 LYS 445 -1.527 -3.394 5.750 166 HG3 LYS 445 HG1 LYS 445 -1.611 -3.658 4.007 167 HD2 LYS 445 HD2 LYS 445 -0.591 -5.859 4.289 168 HD3 LYS 445 HD1 LYS 445 -0.493 -5.598 6.032 169 HE2 LYS 445 HE2 LYS 445 -3.028 -5.691 4.398 170 HE3 LYS 445 HE1 LYS 445 -2.420 -6.987 5.427 171 HZ1 LYS 445 HZ1 LYS 445 -3.487 -4.349 6.227 172 HZ2 LYS 445 HZ2 LYS 445 -2.529 -5.265 7.283 173 HZ3 LYS 445 HZ3 LYS 445 -4.007 -5.886 6.715 174 H CYS 446 HN CYS 446 1.838 -1.934 2.496 175 HA CYS 446 HA CYS 446 4.265 -0.920 3.766 176 HB2 CYS 446 HB2 CYS 446 3.709 -2.371 1.207 177 HB3 CYS 446 HB1 CYS 446 5.186 -1.430 1.374 178 H LYS 447 HN LYS 447 1.838 -0.046 1.360 179 HA LYS 447 HA LYS 447 3.175 2.141 0.201 180 HB2 LYS 447 HB2 LYS 447 1.207 1.370 -0.872 181 HB3 LYS 447 HB1 LYS 447 0.258 1.499 0.602 182 HG2 LYS 447 HG2 LYS 447 -0.393 3.258 -0.868 183 HG3 LYS 447 HG1 LYS 447 0.499 3.968 0.475 184 HD2 LYS 447 HD2 LYS 447 1.265 5.049 -1.488 185 HD3 LYS 447 HD1 LYS 447 2.538 3.923 -1.009 186 HE2 LYS 447 HE2 LYS 447 1.932 2.383 -2.708 187 HE3 LYS 447 HE1 LYS 447 0.430 3.243 -3.047 188 HZ1 LYS 447 HZ1 LYS 447 1.558 4.966 -4.090 189 HZ2 LYS 447 HZ2 LYS 447 2.386 3.587 -4.625 190 HZ3 LYS 447 HZ3 LYS 447 3.058 4.553 -3.404 191 H GLY 448 HN GLY 448 3.934 3.885 1.170 192 HA2 GLY 448 HA2 GLY 448 3.229 5.924 2.456 193 HA3 GLY 448 HA1 GLY 448 2.583 4.792 3.636 194 H LYS 449 HN LYS 449 4.874 2.942 3.218 195 HA LYS 449 HA LYS 449 6.556 4.048 5.254 196 HB2 LYS 449 HB2 LYS 449 6.755 1.541 3.594 197 HB3 LYS 449 HB1 LYS 449 7.917 1.967 4.841 198 HG2 LYS 449 HG2 LYS 449 6.147 1.910 6.516 199 HG3 LYS 449 HG1 LYS 449 4.979 1.479 5.260 200 HD2 LYS 449 HD2 LYS 449 6.071 -0.589 4.841 201 HD3 LYS 449 HD1 LYS 449 7.454 -0.135 5.837 202 HE2 LYS 449 HE2 LYS 449 4.645 -0.540 6.843 203 HE3 LYS 449 HE1 LYS 449 5.944 -1.723 6.950 204 HZ1 LYS 449 HZ1 LYS 449 6.883 0.689 8.018 205 HZ2 LYS 449 HZ2 LYS 449 6.596 -0.777 8.824 206 HZ3 LYS 449 HZ3 LYS 449 5.362 0.377 8.705 207 H GLY 450 HN GLY 450 8.698 4.640 5.135 208 HA2 GLY 450 HA2 GLY 450 9.631 5.611 2.557 209 HA3 GLY 450 HA1 GLY 450 10.416 5.839 4.115 210 H GLU 451 HN GLU 451 12.049 5.212 2.155 211 HA GLU 451 HA GLU 451 12.444 2.472 1.607 212 HB2 GLU 451 HB2 GLU 451 13.429 4.125 0.204 213 HB3 GLU 451 HB1 GLU 451 14.266 4.870 1.551 214 HG2 GLU 451 HG2 GLU 451 15.889 3.706 0.305 215 HG3 GLU 451 HG1 GLU 451 15.603 2.751 1.755 216 H LYS 452 HN LYS 452 13.428 4.559 4.242 217 HA LYS 452 HA LYS 452 15.142 2.529 5.405 218 HB2 LYS 452 HB2 LYS 452 15.433 4.129 7.248 219 HB3 LYS 452 HB1 LYS 452 15.783 4.850 5.685 220 HG2 LYS 452 HG2 LYS 452 13.698 6.019 5.683 221 HG3 LYS 452 HG1 LYS 452 13.171 5.171 7.140 222 HD2 LYS 452 HD2 LYS 452 15.493 7.088 6.930 223 HD3 LYS 452 HD1 LYS 452 13.928 7.426 7.670 224 HE2 LYS 452 HE2 LYS 452 15.920 5.352 8.592 225 HE3 LYS 452 HE1 LYS 452 15.606 6.906 9.364 226 HZ1 LYS 452 HZ1 LYS 452 13.217 5.367 9.009 227 HZ2 LYS 452 HZ2 LYS 452 13.841 6.085 10.411 228 HZ3 LYS 452 HZ3 LYS 452 14.372 4.541 9.940 229 H ASP 453 HN ASP 453 12.450 1.759 4.952 230 HA ASP 453 HA ASP 453 11.850 0.707 7.559 231 HB2 ASP 453 HB2 ASP 453 10.674 2.937 7.556 232 HB3 ASP 453 HB1 ASP 453 9.715 2.359 6.195 233 H CYS 454 HN CYS 454 10.493 1.267 4.321 234 HA CYS 454 HA CYS 454 9.014 -1.152 4.310 235 HB2 CYS 454 HB2 CYS 454 8.877 1.121 2.866 236 HB3 CYS 454 HB1 CYS 454 9.718 0.096 1.707 237 H LYS 455 HN LYS 455 9.712 -3.136 4.010 238 HA LYS 455 HA LYS 455 12.401 -3.653 3.136 239 HB2 LYS 455 HB2 LYS 455 11.662 -6.079 3.333 240 HB3 LYS 455 HB1 LYS 455 11.621 -5.121 4.804 241 HG2 LYS 455 HG2 LYS 455 9.223 -4.865 4.615 242 HG3 LYS 455 HG1 LYS 455 9.231 -5.728 3.075 243 HD2 LYS 455 HD2 LYS 455 8.528 -7.201 4.882 244 HD3 LYS 455 HD1 LYS 455 10.071 -7.731 4.215 245 HE2 LYS 455 HE2 LYS 455 11.226 -6.592 6.080 246 HE3 LYS 455 HE1 LYS 455 9.653 -6.170 6.757 247 HZ1 LYS 455 HZ1 LYS 455 10.867 -8.267 7.596 248 HZ2 LYS 455 HZ2 LYS 455 10.289 -8.983 6.171 249 HZ3 LYS 455 HZ3 LYS 455 9.199 -8.346 7.299 250 H SER 456 HN SER 456 13.058 -3.862 1.139 251 HA SER 456 HA SER 456 11.278 -3.527 -1.004 252 HG SER 456 HG SER 456 13.026 -2.099 -0.204 253 HB2 SER 456 HB2 SER 456 14.194 -4.313 -1.092 254 HB3 SER 456 HB1 SER 456 13.260 -3.624 -2.422 255 HA PRO 457 HA PRO 457 12.387 -8.138 -2.258 256 HB2 PRO 457 HB2 PRO 457 12.381 -9.312 0.475 257 HB3 PRO 457 HB1 PRO 457 13.361 -9.743 -0.930 258 HG2 PRO 457 HG2 PRO 457 14.423 -8.399 1.107 259 HG3 PRO 457 HG1 PRO 457 14.872 -8.023 -0.566 260 HD2 PRO 457 HD2 PRO 457 13.039 -6.553 1.280 261 HD3 PRO 457 HD1 PRO 457 14.197 -5.915 0.096 262 H ASP 458 HN ASP 458 10.602 -7.497 0.747 263 HA ASP 458 HA ASP 458 8.422 -9.223 0.003 264 HB2 ASP 458 HB2 ASP 458 9.147 -8.781 2.370 265 HB3 ASP 458 HB1 ASP 458 8.461 -7.167 2.211 266 H CYS 459 HN CYS 459 8.925 -5.688 0.144 267 HA CYS 459 HA CYS 459 6.397 -5.410 -1.345 268 HB2 CYS 459 HB2 CYS 459 7.552 -3.646 0.814 269 HB3 CYS 459 HB1 CYS 459 6.263 -3.116 -0.264 270 H LYS 460 HN LYS 460 6.393 -4.254 -3.149 271 HA LYS 460 HA LYS 460 8.819 -3.829 -4.502 272 HB2 LYS 460 HB2 LYS 460 6.116 -2.691 -5.228 273 HB3 LYS 460 HB1 LYS 460 7.457 -3.028 -6.316 274 HG2 LYS 460 HG2 LYS 460 7.058 -5.277 -6.339 275 HG3 LYS 460 HG1 LYS 460 6.316 -5.276 -4.738 276 HD2 LYS 460 HD2 LYS 460 4.400 -3.997 -5.753 277 HD3 LYS 460 HD1 LYS 460 5.117 -4.323 -7.331 278 HE2 LYS 460 HE2 LYS 460 4.871 -6.682 -7.033 279 HE3 LYS 460 HE1 LYS 460 4.389 -6.472 -5.350 280 HZ1 LYS 460 HZ1 LYS 460 2.317 -5.742 -5.932 281 HZ2 LYS 460 HZ2 LYS 460 2.609 -6.844 -7.189 282 HZ3 LYS 460 HZ3 LYS 460 2.802 -5.182 -7.460 283 H TRP 461 HN TRP 461 9.983 -2.040 -4.934 284 HA TRP 461 HA TRP 461 9.071 0.504 -3.759 285 HD1 TRP 461 HD1 TRP 461 13.070 2.002 -4.405 286 HE1 TRP 461 HE1 TRP 461 13.010 4.225 -3.111 287 HE3 TRP 461 HE3 TRP 461 9.363 0.902 -1.072 288 HZ2 TRP 461 HZ2 TRP 461 11.589 5.339 -0.950 289 HZ3 TRP 461 HZ3 TRP 461 8.724 2.600 0.574 290 HH2 TRP 461 HH2 TRP 461 9.810 4.779 0.629 291 HB2 TRP 461 HB2 TRP 461 11.071 -0.569 -2.601 292 HB3 TRP 461 HB1 TRP 461 11.962 -0.313 -4.098 293 H GLU 462 HN GLU 462 8.901 2.135 -5.185 294 HA GLU 462 HA GLU 462 10.565 2.415 -7.484 295 HB2 GLU 462 HB2 GLU 462 9.160 0.553 -8.255 296 HB3 GLU 462 HB1 GLU 462 7.716 1.496 -7.919 297 HG2 GLU 462 HG2 GLU 462 8.406 3.129 -9.613 298 HG3 GLU 462 HG1 GLU 462 9.826 2.145 -9.964 299 H GLY 463 HN GLY 463 10.572 4.496 -8.074 300 HA2 GLY 463 HA2 GLY 463 9.987 6.706 -8.263 301 HA3 GLY 463 HA1 GLY 463 8.318 6.165 -8.240 302 H GLY 464 HN GLY 464 10.690 5.759 -5.668 303 HA2 GLY 464 HA2 GLY 464 10.754 6.542 -3.514 304 HA3 GLY 464 HA1 GLY 464 10.057 8.019 -4.158 305 H THR 465 HN THR 465 8.599 4.805 -4.092 306 HA THR 465 HA THR 465 6.960 5.375 -1.826 307 HB THR 465 HB THR 465 5.769 6.724 -3.528 308 HG1 THR 465 HG1 THR 465 4.187 6.108 -2.255 309 HG21 THR 465 HG21 THR 465 6.145 5.710 -5.595 310 HG22 THR 465 HG22 THR 465 4.456 5.327 -5.260 311 HG23 THR 465 HG23 THR 465 5.705 4.111 -4.995 312 H CYS 466 HN CYS 466 6.097 3.543 -0.985 313 HA CYS 466 HA CYS 466 7.054 1.080 -2.180 314 HB2 CYS 466 HB2 CYS 466 7.191 1.902 0.338 315 HB3 CYS 466 HB1 CYS 466 5.615 1.118 0.423 316 H LYS 467 HN LYS 467 5.756 -0.666 -2.737 317 HA LYS 467 HA LYS 467 2.870 -0.405 -2.461 318 HB2 LYS 467 HB2 LYS 467 2.417 -0.670 -4.837 319 HB3 LYS 467 HB1 LYS 467 3.358 0.782 -4.557 320 HG2 LYS 467 HG2 LYS 467 4.749 -1.741 -5.313 321 HG3 LYS 467 HG1 LYS 467 3.918 -0.791 -6.544 322 HD2 LYS 467 HD2 LYS 467 6.050 0.269 -4.686 323 HD3 LYS 467 HD1 LYS 467 6.324 -0.241 -6.353 324 HE2 LYS 467 HE2 LYS 467 4.524 2.007 -5.442 325 HE3 LYS 467 HE1 LYS 467 6.099 2.180 -6.215 326 HZ1 LYS 467 HZ1 LYS 467 4.650 0.583 -7.912 327 HZ2 LYS 467 HZ2 LYS 467 5.002 2.228 -8.129 328 HZ3 LYS 467 HZ3 LYS 467 3.545 1.762 -7.398 329 H ASP 468 HN ASP 468 1.747 -2.366 -2.680 330 HA ASP 468 HA ASP 468 3.380 -4.753 -3.153 331 HB2 ASP 468 HB2 ASP 468 3.159 -4.328 -0.682 332 HB3 ASP 468 HB1 ASP 468 1.417 -4.504 -0.863 Start of MODEL 5 1 H1 GLY 421 HT1 GLY 421 -33.882 -7.025 -12.298 2 H2 GLY 421 HT2 GLY 421 -34.963 -8.268 -11.892 3 H3 GLY 421 HT3 GLY 421 -34.340 -8.171 -13.464 4 HA2 GLY 421 HA1 GLY 421 -32.085 -8.532 -12.536 5 HA3 GLY 421 HA2 GLY 421 -32.860 -8.846 -10.990 6 H THR 422 HN THR 422 -31.319 -10.489 -13.100 7 HA THR 422 HA THR 422 -32.867 -12.899 -12.779 8 HB THR 422 HB THR 422 -34.002 -11.948 -14.716 9 HG1 THR 422 HG1 THR 422 -33.894 -14.123 -14.909 10 HG21 THR 422 HG21 THR 422 -31.848 -12.146 -16.641 11 HG22 THR 422 HG22 THR 422 -31.505 -10.935 -15.404 12 HG23 THR 422 HG23 THR 422 -32.988 -10.828 -16.356 13 H LYS 423 HN LYS 423 -31.676 -14.727 -13.046 14 HA LYS 423 HA LYS 423 -29.894 -16.105 -13.286 15 HB2 LYS 423 HB2 LYS 423 -29.529 -15.149 -15.505 16 HB3 LYS 423 HB1 LYS 423 -28.603 -13.831 -14.800 17 HG2 LYS 423 HG2 LYS 423 -26.905 -15.393 -14.052 18 HG3 LYS 423 HG1 LYS 423 -27.850 -16.746 -14.683 19 HD2 LYS 423 HD2 LYS 423 -27.643 -15.837 -16.942 20 HD3 LYS 423 HD1 LYS 423 -26.714 -14.474 -16.317 21 HE2 LYS 423 HE2 LYS 423 -25.233 -16.150 -17.276 22 HE3 LYS 423 HE1 LYS 423 -24.977 -16.020 -15.535 23 HZ1 LYS 423 HZ1 LYS 423 -25.442 -18.322 -16.923 24 HZ2 LYS 423 HZ2 LYS 423 -26.946 -17.990 -16.211 25 HZ3 LYS 423 HZ3 LYS 423 -25.562 -18.132 -15.242 26 H ALA 424 HN ALA 424 -28.790 -12.789 -12.594 27 HA ALA 424 HA ALA 424 -27.436 -11.937 -10.984 28 HB1 ALA 424 HB1 ALA 424 -28.928 -12.428 -9.319 29 HB2 ALA 424 HB2 ALA 424 -27.520 -13.329 -8.756 30 HB3 ALA 424 HB3 ALA 424 -28.830 -14.168 -9.591 31 H SER 425 HN SER 425 -25.838 -12.878 -12.703 32 HA SER 425 HA SER 425 -24.242 -15.101 -12.119 33 HG SER 425 HG SER 425 -24.166 -13.687 -15.415 34 HB2 SER 425 HB2 SER 425 -23.380 -12.576 -13.548 35 HB3 SER 425 HB1 SER 425 -22.689 -14.192 -13.730 36 H LYS 426 HN LYS 426 -22.437 -15.395 -10.916 37 HA LYS 426 HA LYS 426 -21.917 -13.483 -8.811 38 HB2 LYS 426 HB2 LYS 426 -21.041 -16.278 -9.407 39 HB3 LYS 426 HB1 LYS 426 -20.100 -15.315 -8.279 40 HG2 LYS 426 HG2 LYS 426 -21.711 -16.710 -7.114 41 HG3 LYS 426 HG1 LYS 426 -22.065 -15.002 -6.876 42 HD2 LYS 426 HD2 LYS 426 -24.116 -16.249 -7.256 43 HD3 LYS 426 HD1 LYS 426 -23.820 -15.141 -8.595 44 HE2 LYS 426 HE2 LYS 426 -22.959 -16.962 -9.943 45 HE3 LYS 426 HE1 LYS 426 -23.149 -18.080 -8.592 46 HZ1 LYS 426 HZ1 LYS 426 -25.268 -18.384 -9.104 47 HZ2 LYS 426 HZ2 LYS 426 -25.007 -17.525 -10.542 48 HZ3 LYS 426 HZ3 LYS 426 -25.586 -16.722 -9.164 49 H SER 427 HN SER 427 -21.341 -12.115 -10.893 50 HA SER 427 HA SER 427 -18.506 -11.658 -10.757 51 HG SER 427 HG SER 427 -18.502 -13.875 -11.567 52 HB2 SER 427 HB2 SER 427 -19.773 -12.408 -13.412 53 HB3 SER 427 HB1 SER 427 -18.136 -11.789 -13.205 54 H GLY 428 HN GLY 428 -18.042 -9.528 -11.164 55 HA2 GLY 428 HA2 GLY 428 -19.966 -7.830 -12.524 56 HA3 GLY 428 HA1 GLY 428 -19.848 -7.572 -10.788 57 H VAL 429 HN VAL 429 -17.376 -8.334 -13.197 58 HA VAL 429 HA VAL 429 -15.541 -6.495 -12.076 59 HB VAL 429 HB VAL 429 -15.353 -7.817 -14.770 60 HG11 VAL 429 HG11 VAL 429 -13.700 -5.934 -13.495 61 HG12 VAL 429 HG12 VAL 429 -13.371 -6.843 -14.970 62 HG13 VAL 429 HG13 VAL 429 -12.861 -7.484 -13.408 63 HG21 VAL 429 HG21 VAL 429 -14.767 -8.831 -12.016 64 HG22 VAL 429 HG22 VAL 429 -13.862 -9.433 -13.404 65 HG23 VAL 429 HG23 VAL 429 -15.615 -9.625 -13.343 66 HA PRO 430 HA PRO 430 -16.448 -3.642 -15.712 67 HB2 PRO 430 HB2 PRO 430 -17.733 -4.713 -17.910 68 HB3 PRO 430 HB1 PRO 430 -15.993 -4.788 -17.628 69 HG2 PRO 430 HG2 PRO 430 -17.851 -6.959 -17.662 70 HG3 PRO 430 HG1 PRO 430 -16.117 -7.024 -17.307 71 HD2 PRO 430 HD2 PRO 430 -18.428 -6.920 -15.438 72 HD3 PRO 430 HD1 PRO 430 -16.817 -7.641 -15.198 73 H VAL 431 HN VAL 431 -18.679 -3.542 -17.673 74 HA VAL 431 HA VAL 431 -20.732 -2.605 -17.863 75 HB VAL 431 HB VAL 431 -21.528 -4.300 -15.492 76 HG11 VAL 431 HG11 VAL 431 -23.712 -4.116 -16.229 77 HG12 VAL 431 HG12 VAL 431 -23.231 -3.709 -17.878 78 HG13 VAL 431 HG13 VAL 431 -23.075 -2.511 -16.593 79 HG21 VAL 431 HG21 VAL 431 -20.249 -5.375 -17.562 80 HG22 VAL 431 HG22 VAL 431 -21.863 -5.293 -18.270 81 HG23 VAL 431 HG23 VAL 431 -21.602 -6.184 -16.770 82 H THR 432 HN THR 432 -19.170 -0.864 -16.793 83 HA THR 432 HA THR 432 -19.172 1.133 -15.700 84 HB THR 432 HB THR 432 -21.770 0.328 -14.381 85 HG1 THR 432 HG1 THR 432 -21.449 0.520 -16.907 86 HG21 THR 432 HG21 THR 432 -20.069 2.636 -14.213 87 HG22 THR 432 HG22 THR 432 -21.570 2.297 -13.349 88 HG23 THR 432 HG23 THR 432 -21.618 3.091 -14.924 89 H GLN 433 HN GLN 433 -17.931 1.602 -14.013 90 HA GLN 433 HA GLN 433 -17.161 -0.489 -12.257 91 HB2 GLN 433 HB2 GLN 433 -16.395 2.434 -12.176 92 HB3 GLN 433 HB1 GLN 433 -15.568 1.127 -11.340 93 HG2 GLN 433 HG2 GLN 433 -15.762 1.533 -14.314 94 HG3 GLN 433 HG1 GLN 433 -14.332 1.735 -13.305 95 HE21 GLN 433 HE21 GLN 433 -12.973 0.095 -13.260 96 HE22 GLN 433 HE22 GLN 433 -13.351 -1.549 -13.675 97 H THR 434 HN THR 434 -19.681 -0.404 -11.592 98 HA THR 434 HA THR 434 -20.147 1.316 -9.301 99 HB THR 434 HB THR 434 -22.235 -0.065 -9.045 100 HG1 THR 434 HG1 THR 434 -22.189 -1.132 -11.540 101 HG21 THR 434 HG21 THR 434 -23.319 0.812 -11.107 102 HG22 THR 434 HG22 THR 434 -21.720 1.240 -11.721 103 HG23 THR 434 HG23 THR 434 -22.342 2.014 -10.261 104 H GLN 435 HN GLN 435 -19.874 -2.184 -9.870 105 HA GLN 435 HA GLN 435 -19.230 -2.642 -7.063 106 HB2 GLN 435 HB2 GLN 435 -19.597 -4.526 -9.401 107 HB3 GLN 435 HB1 GLN 435 -19.138 -5.052 -7.786 108 HG2 GLN 435 HG2 GLN 435 -21.670 -3.555 -8.431 109 HG3 GLN 435 HG1 GLN 435 -21.552 -5.310 -8.286 110 HE21 GLN 435 HE21 GLN 435 -22.352 -2.548 -6.673 111 HE22 GLN 435 HE22 GLN 435 -22.145 -3.099 -5.046 112 H THR 436 HN THR 436 -17.800 -2.931 -10.277 113 HA THR 436 HA THR 436 -15.656 -2.956 -11.023 114 HB THR 436 HB THR 436 -14.703 -1.953 -8.352 115 HG1 THR 436 HG1 THR 436 -16.739 -0.895 -9.361 116 HG21 THR 436 HG21 THR 436 -13.686 -2.089 -11.061 117 HG22 THR 436 HG22 THR 436 -12.838 -1.718 -9.561 118 HG23 THR 436 HG23 THR 436 -13.669 -0.437 -10.445 119 H ALA 437 HN ALA 437 -16.621 -5.339 -10.040 120 HA ALA 437 HA ALA 437 -15.957 -7.455 -9.587 121 HB1 ALA 437 HB1 ALA 437 -13.718 -8.101 -9.751 122 HB2 ALA 437 HB2 ALA 437 -13.133 -6.524 -9.219 123 HB3 ALA 437 HB3 ALA 437 -13.865 -6.700 -10.814 124 H GLY 438 HN GLY 438 -14.306 -5.118 -7.477 125 HA2 GLY 438 HA2 GLY 438 -15.052 -5.049 -5.138 126 HA3 GLY 438 HA1 GLY 438 -15.109 -6.805 -5.190 127 H ALA 439 HN ALA 439 -13.504 -4.498 -3.791 128 HA ALA 439 HA ALA 439 -11.523 -4.334 -2.711 129 HB1 ALA 439 HB1 ALA 439 -11.762 -7.121 -3.185 130 HB2 ALA 439 HB2 ALA 439 -10.875 -6.286 -1.910 131 HB3 ALA 439 HB3 ALA 439 -10.079 -6.656 -3.439 132 H ASP 440 HN ASP 440 -9.805 -3.162 -3.192 133 HA ASP 440 HA ASP 440 -9.001 -2.879 -5.965 134 HB2 ASP 440 HB2 ASP 440 -9.247 -0.963 -4.286 135 HB3 ASP 440 HB1 ASP 440 -7.762 -1.547 -3.549 136 H THR 441 HN THR 441 -6.968 -3.404 -6.790 137 HA THR 441 HA THR 441 -5.635 -5.656 -5.755 138 HB THR 441 HB THR 441 -4.537 -3.603 -7.689 139 HG1 THR 441 HG1 THR 441 -5.839 -6.054 -8.345 140 HG21 THR 441 HG21 THR 441 -2.882 -5.205 -6.719 141 HG22 THR 441 HG22 THR 441 -3.080 -5.351 -8.467 142 HG23 THR 441 HG23 THR 441 -3.839 -6.526 -7.393 143 H THR 442 HN THR 442 -5.057 -2.188 -5.454 144 HA THR 442 HA THR 442 -2.580 -2.508 -4.003 145 HB THR 442 HB THR 442 -4.279 -0.018 -4.069 146 HG1 THR 442 HG1 THR 442 -2.367 -0.835 -6.039 147 HG21 THR 442 HG21 THR 442 -1.915 -0.559 -2.812 148 HG22 THR 442 HG22 THR 442 -2.452 1.048 -3.298 149 HG23 THR 442 HG23 THR 442 -1.362 0.131 -4.338 150 H ALA 443 HN ALA 443 -2.598 -3.285 -2.001 151 HA ALA 443 HA ALA 443 -4.582 -2.294 -0.091 152 HB1 ALA 443 HB1 ALA 443 -4.493 -4.942 -1.091 153 HB2 ALA 443 HB2 ALA 443 -5.527 -4.290 0.182 154 HB3 ALA 443 HB3 ALA 443 -3.947 -4.973 0.589 155 H GLU 444 HN GLU 444 -1.493 -3.629 -0.810 156 HA GLU 444 HA GLU 444 -0.399 -4.371 1.471 157 HB2 GLU 444 HB2 GLU 444 1.797 -3.250 0.579 158 HB3 GLU 444 HB1 GLU 444 1.048 -4.582 -0.285 159 HG2 GLU 444 HG2 GLU 444 1.613 -3.050 -1.937 160 HG3 GLU 444 HG1 GLU 444 -0.112 -2.807 -1.692 161 H LYS 445 HN LYS 445 0.240 -3.703 3.335 162 HA LYS 445 HA LYS 445 -0.378 -1.047 4.221 163 HB2 LYS 445 HB2 LYS 445 -0.659 -3.176 5.564 164 HB3 LYS 445 HB1 LYS 445 1.091 -3.226 5.717 165 HG2 LYS 445 HG2 LYS 445 1.076 -1.119 6.903 166 HG3 LYS 445 HG1 LYS 445 -0.669 -0.991 6.676 167 HD2 LYS 445 HD2 LYS 445 0.657 -3.266 8.140 168 HD3 LYS 445 HD1 LYS 445 0.060 -1.809 8.939 169 HE2 LYS 445 HE2 LYS 445 -1.596 -3.724 7.295 170 HE3 LYS 445 HE1 LYS 445 -1.559 -3.648 9.056 171 HZ1 LYS 445 HZ1 LYS 445 -3.413 -2.400 8.526 172 HZ2 LYS 445 HZ2 LYS 445 -2.707 -1.723 7.143 173 HZ3 LYS 445 HZ3 LYS 445 -2.226 -1.198 8.679 174 H CYS 446 HN CYS 446 1.985 -1.979 2.356 175 HA CYS 446 HA CYS 446 4.331 -0.929 3.612 176 HB2 CYS 446 HB2 CYS 446 3.657 -1.579 0.738 177 HB3 CYS 446 HB1 CYS 446 5.228 -0.982 1.253 178 H LYS 447 HN LYS 447 1.803 0.246 1.489 179 HA LYS 447 HA LYS 447 2.811 2.676 0.673 180 HB2 LYS 447 HB2 LYS 447 0.680 1.783 -0.103 181 HB3 LYS 447 HB1 LYS 447 -0.021 1.995 1.493 182 HG2 LYS 447 HG2 LYS 447 -0.743 3.726 -0.069 183 HG3 LYS 447 HG1 LYS 447 0.161 4.400 1.287 184 HD2 LYS 447 HD2 LYS 447 2.113 4.676 -0.059 185 HD3 LYS 447 HD1 LYS 447 1.390 3.770 -1.390 186 HE2 LYS 447 HE2 LYS 447 0.361 6.396 -0.325 187 HE3 LYS 447 HE1 LYS 447 1.378 6.214 -1.753 188 HZ1 LYS 447 HZ1 LYS 447 -0.774 6.317 -2.588 189 HZ2 LYS 447 HZ2 LYS 447 -1.416 5.330 -1.367 190 HZ3 LYS 447 HZ3 LYS 447 -0.438 4.655 -2.578 191 H GLY 448 HN GLY 448 3.700 4.240 1.799 192 HA2 GLY 448 HA2 GLY 448 3.112 6.103 3.386 193 HA3 GLY 448 HA1 GLY 448 2.643 4.822 4.499 194 H LYS 449 HN LYS 449 4.875 3.113 3.563 195 HA LYS 449 HA LYS 449 6.848 4.117 5.414 196 HB2 LYS 449 HB2 LYS 449 6.567 1.590 3.812 197 HB3 LYS 449 HB1 LYS 449 8.056 1.959 4.671 198 HG2 LYS 449 HG2 LYS 449 6.713 2.153 6.763 199 HG3 LYS 449 HG1 LYS 449 5.316 1.574 5.855 200 HD2 LYS 449 HD2 LYS 449 7.849 0.000 5.775 201 HD3 LYS 449 HD1 LYS 449 6.832 -0.089 7.214 202 HE2 LYS 449 HE2 LYS 449 5.623 -0.468 4.509 203 HE3 LYS 449 HE1 LYS 449 6.494 -1.794 5.276 204 HZ1 LYS 449 HZ1 LYS 449 4.095 -0.387 6.308 205 HZ2 LYS 449 HZ2 LYS 449 5.024 -1.455 7.240 206 HZ3 LYS 449 HZ3 LYS 449 4.227 -2.017 5.853 207 H GLY 450 HN GLY 450 8.839 4.909 4.972 208 HA2 GLY 450 HA2 GLY 450 9.386 5.852 2.304 209 HA3 GLY 450 HA1 GLY 450 10.400 6.077 3.723 210 H GLU 451 HN GLU 451 12.059 5.608 1.973 211 HA GLU 451 HA GLU 451 12.305 3.057 0.827 212 HB2 GLU 451 HB2 GLU 451 13.533 4.965 -0.040 213 HB3 GLU 451 HB1 GLU 451 14.435 5.100 1.464 214 HG2 GLU 451 HG2 GLU 451 15.432 2.896 1.048 215 HG3 GLU 451 HG1 GLU 451 14.560 2.805 -0.481 216 H LYS 452 HN LYS 452 13.742 4.404 3.783 217 HA LYS 452 HA LYS 452 15.256 2.125 4.446 218 HB2 LYS 452 HB2 LYS 452 15.390 3.103 6.711 219 HB3 LYS 452 HB1 LYS 452 15.742 4.274 5.451 220 HG2 LYS 452 HG2 LYS 452 13.502 5.206 5.678 221 HG3 LYS 452 HG1 LYS 452 13.127 4.014 6.922 222 HD2 LYS 452 HD2 LYS 452 15.303 6.097 7.099 223 HD3 LYS 452 HD1 LYS 452 13.722 6.201 7.876 224 HE2 LYS 452 HE2 LYS 452 14.232 4.137 9.122 225 HE3 LYS 452 HE1 LYS 452 15.835 4.111 8.386 226 HZ1 LYS 452 HZ1 LYS 452 16.307 6.243 9.428 227 HZ2 LYS 452 HZ2 LYS 452 15.894 5.081 10.592 228 HZ3 LYS 452 HZ3 LYS 452 14.764 6.263 10.138 229 H ASP 453 HN ASP 453 11.922 2.984 5.103 230 HA ASP 453 HA ASP 453 11.514 0.783 6.917 231 HB2 ASP 453 HB2 ASP 453 9.731 2.870 5.705 232 HB3 ASP 453 HB1 ASP 453 9.025 1.461 6.487 233 H CYS 454 HN CYS 454 10.800 1.521 3.548 234 HA CYS 454 HA CYS 454 9.162 -0.643 2.942 235 HB2 CYS 454 HB2 CYS 454 9.694 1.383 1.486 236 HB3 CYS 454 HB1 CYS 454 11.186 0.559 1.049 237 H LYS 455 HN LYS 455 9.575 -2.729 3.181 238 HA LYS 455 HA LYS 455 12.307 -3.732 3.032 239 HB2 LYS 455 HB2 LYS 455 9.705 -5.158 3.632 240 HB3 LYS 455 HB1 LYS 455 11.307 -5.872 3.741 241 HG2 LYS 455 HG2 LYS 455 10.591 -3.449 5.344 242 HG3 LYS 455 HG1 LYS 455 10.160 -5.067 5.892 243 HD2 LYS 455 HD2 LYS 455 12.220 -4.549 6.928 244 HD3 LYS 455 HD1 LYS 455 12.597 -5.673 5.624 245 HE2 LYS 455 HE2 LYS 455 14.245 -3.930 5.642 246 HE3 LYS 455 HE1 LYS 455 13.234 -3.737 4.212 247 HZ1 LYS 455 HZ1 LYS 455 13.190 -2.138 6.705 248 HZ2 LYS 455 HZ2 LYS 455 11.939 -2.075 5.560 249 HZ3 LYS 455 HZ3 LYS 455 13.511 -1.609 5.124 250 H SER 456 HN SER 456 13.126 -4.582 1.235 251 HA SER 456 HA SER 456 11.758 -4.484 -1.192 252 HG SER 456 HG SER 456 14.063 -3.383 -1.192 253 HB2 SER 456 HB2 SER 456 14.199 -6.177 -0.646 254 HB3 SER 456 HB1 SER 456 13.724 -5.433 -2.173 255 HA PRO 457 HA PRO 457 11.380 -9.368 -0.984 256 HB2 PRO 457 HB2 PRO 457 11.003 -10.298 1.582 257 HB3 PRO 457 HB1 PRO 457 12.535 -10.376 0.705 258 HG2 PRO 457 HG2 PRO 457 11.612 -8.382 2.734 259 HG3 PRO 457 HG1 PRO 457 13.204 -9.149 2.556 260 HD2 PRO 457 HD2 PRO 457 12.776 -6.649 1.715 261 HD3 PRO 457 HD1 PRO 457 13.813 -7.760 0.800 262 H ASP 458 HN ASP 458 9.898 -7.129 1.238 263 HA ASP 458 HA ASP 458 7.345 -8.508 1.190 264 HB2 ASP 458 HB2 ASP 458 8.260 -7.358 3.245 265 HB3 ASP 458 HB1 ASP 458 7.975 -5.825 2.431 266 H CYS 459 HN CYS 459 8.717 -5.430 0.040 267 HA CYS 459 HA CYS 459 6.592 -5.289 -1.961 268 HB2 CYS 459 HB2 CYS 459 7.111 -3.194 0.147 269 HB3 CYS 459 HB1 CYS 459 6.279 -2.827 -1.362 270 H LYS 460 HN LYS 460 7.019 -3.854 -3.684 271 HA LYS 460 HA LYS 460 9.872 -3.530 -4.221 272 HB2 LYS 460 HB2 LYS 460 8.429 -4.606 -5.915 273 HB3 LYS 460 HB1 LYS 460 7.455 -3.146 -6.005 274 HG2 LYS 460 HG2 LYS 460 8.893 -3.133 -7.876 275 HG3 LYS 460 HG1 LYS 460 9.525 -1.935 -6.746 276 HD2 LYS 460 HD2 LYS 460 11.193 -3.531 -5.967 277 HD3 LYS 460 HD1 LYS 460 10.545 -4.758 -7.057 278 HE2 LYS 460 HE2 LYS 460 12.485 -3.821 -8.079 279 HE3 LYS 460 HE1 LYS 460 11.072 -3.242 -8.962 280 HZ1 LYS 460 HZ1 LYS 460 12.038 -1.569 -6.774 281 HZ2 LYS 460 HZ2 LYS 460 11.411 -1.123 -8.287 282 HZ3 LYS 460 HZ3 LYS 460 13.017 -1.650 -8.156 283 H TRP 461 HN TRP 461 10.863 -1.576 -4.243 284 HA TRP 461 HA TRP 461 9.325 0.771 -3.522 285 HD1 TRP 461 HD1 TRP 461 12.804 3.052 -4.924 286 HE1 TRP 461 HE1 TRP 461 12.375 5.363 -3.863 287 HE3 TRP 461 HE3 TRP 461 9.705 1.636 -1.124 288 HZ2 TRP 461 HZ2 TRP 461 10.903 6.428 -1.696 289 HZ3 TRP 461 HZ3 TRP 461 8.827 3.348 0.394 290 HH2 TRP 461 HH2 TRP 461 9.414 5.705 0.113 291 HB2 TRP 461 HB2 TRP 461 11.649 0.367 -2.655 292 HB3 TRP 461 HB1 TRP 461 12.248 0.624 -4.292 293 H GLU 462 HN GLU 462 8.191 1.791 -5.034 294 HA GLU 462 HA GLU 462 8.690 1.399 -7.806 295 HB2 GLU 462 HB2 GLU 462 6.430 1.774 -6.804 296 HB3 GLU 462 HB1 GLU 462 6.886 3.446 -6.510 297 HG2 GLU 462 HG2 GLU 462 7.279 3.661 -8.984 298 HG3 GLU 462 HG1 GLU 462 6.532 2.074 -9.158 299 H GLY 463 HN GLY 463 9.034 4.164 -5.644 300 HA2 GLY 463 HA2 GLY 463 11.350 5.196 -6.745 301 HA3 GLY 463 HA1 GLY 463 10.018 5.949 -7.615 302 H GLY 464 HN GLY 464 8.132 6.243 -5.680 303 HA2 GLY 464 HA2 GLY 464 9.445 7.663 -3.462 304 HA3 GLY 464 HA1 GLY 464 8.287 8.532 -4.462 305 H THR 465 HN THR 465 7.997 5.153 -3.681 306 HA THR 465 HA THR 465 6.385 5.412 -1.390 307 HB THR 465 HB THR 465 4.787 6.327 -3.128 308 HG1 THR 465 HG1 THR 465 3.607 3.971 -2.205 309 HG21 THR 465 HG21 THR 465 3.826 3.849 -4.133 310 HG22 THR 465 HG22 THR 465 5.546 3.959 -4.509 311 HG23 THR 465 HG23 THR 465 4.447 5.233 -5.035 312 H CYS 466 HN CYS 466 5.895 3.430 -0.489 313 HA CYS 466 HA CYS 466 7.293 1.153 -1.658 314 HB2 CYS 466 HB2 CYS 466 7.484 1.832 0.796 315 HB3 CYS 466 HB1 CYS 466 5.832 1.252 0.983 316 H LYS 467 HN LYS 467 6.222 -0.534 -2.619 317 HA LYS 467 HA LYS 467 3.358 -0.857 -2.261 318 HB2 LYS 467 HB2 LYS 467 2.970 -0.515 -4.739 319 HB3 LYS 467 HB1 LYS 467 3.292 0.933 -3.801 320 HG2 LYS 467 HG2 LYS 467 4.601 1.316 -5.630 321 HG3 LYS 467 HG1 LYS 467 5.761 0.518 -4.569 322 HD2 LYS 467 HD2 LYS 467 5.942 -0.420 -6.780 323 HD3 LYS 467 HD1 LYS 467 5.242 -1.628 -5.696 324 HE2 LYS 467 HE2 LYS 467 2.979 -0.852 -6.503 325 HE3 LYS 467 HE1 LYS 467 3.832 0.071 -7.740 326 HZ1 LYS 467 HZ1 LYS 467 3.739 -2.867 -7.391 327 HZ2 LYS 467 HZ2 LYS 467 4.899 -2.110 -8.373 328 HZ3 LYS 467 HZ3 LYS 467 3.248 -1.952 -8.735 329 H ASP 468 HN ASP 468 2.492 -2.717 -3.273 330 HA ASP 468 HA ASP 468 4.299 -4.916 -3.360 331 HB2 ASP 468 HB2 ASP 468 2.040 -5.247 -2.562 332 HB3 ASP 468 HB1 ASP 468 1.375 -4.706 -4.101 Start of MODEL 6 1 H1 GLY 421 HT1 GLY 421 -10.917 -9.109 14.658 2 H2 GLY 421 HT2 GLY 421 -10.655 -10.620 13.938 3 H3 GLY 421 HT3 GLY 421 -11.050 -9.281 12.977 4 HA2 GLY 421 HA1 GLY 421 -8.546 -10.183 13.452 5 HA3 GLY 421 HA2 GLY 421 -8.959 -8.577 12.862 6 H THR 422 HN THR 422 -6.851 -9.752 14.752 7 HA THR 422 HA THR 422 -6.957 -7.542 16.626 8 HB THR 422 HB THR 422 -8.196 -9.339 17.798 9 HG1 THR 422 HG1 THR 422 -6.022 -9.424 19.409 10 HG21 THR 422 HG21 THR 422 -6.795 -11.179 16.650 11 HG22 THR 422 HG22 THR 422 -7.312 -11.431 18.317 12 HG23 THR 422 HG23 THR 422 -5.658 -10.924 17.971 13 H LYS 423 HN LYS 423 -5.364 -8.290 14.367 14 HA LYS 423 HA LYS 423 -3.218 -8.399 13.654 15 HB2 LYS 423 HB2 LYS 423 -3.073 -6.420 15.174 16 HB3 LYS 423 HB1 LYS 423 -2.535 -7.489 16.460 17 HG2 LYS 423 HG2 LYS 423 -0.664 -6.331 15.454 18 HG3 LYS 423 HG1 LYS 423 -0.555 -8.067 15.161 19 HD2 LYS 423 HD2 LYS 423 -0.044 -7.254 13.080 20 HD3 LYS 423 HD1 LYS 423 -1.790 -7.448 12.927 21 HE2 LYS 423 HE2 LYS 423 -0.498 -4.861 13.761 22 HE3 LYS 423 HE1 LYS 423 -0.805 -5.271 12.077 23 HZ1 LYS 423 HZ1 LYS 423 -2.830 -4.938 14.224 24 HZ2 LYS 423 HZ2 LYS 423 -3.179 -5.513 12.668 25 HZ3 LYS 423 HZ3 LYS 423 -2.587 -3.939 12.877 26 H ALA 424 HN ALA 424 -4.360 -10.795 14.586 27 HA ALA 424 HA ALA 424 -2.379 -12.219 16.138 28 HB1 ALA 424 HB1 ALA 424 -5.006 -12.848 14.930 29 HB2 ALA 424 HB2 ALA 424 -4.369 -13.229 16.530 30 HB3 ALA 424 HB3 ALA 424 -3.882 -14.192 15.136 31 H SER 425 HN SER 425 -3.621 -12.513 12.823 32 HA SER 425 HA SER 425 -0.998 -13.549 11.985 33 HG SER 425 HG SER 425 -2.322 -15.527 12.182 34 HB2 SER 425 HB2 SER 425 -3.642 -13.663 10.502 35 HB3 SER 425 HB1 SER 425 -2.134 -14.451 10.028 36 H LYS 426 HN LYS 426 -1.702 -12.818 9.157 37 HA LYS 426 HA LYS 426 -0.775 -10.084 9.213 38 HB2 LYS 426 HB2 LYS 426 -0.072 -11.607 7.400 39 HB3 LYS 426 HB1 LYS 426 -1.747 -11.763 6.890 40 HG2 LYS 426 HG2 LYS 426 -1.780 -9.316 6.457 41 HG3 LYS 426 HG1 LYS 426 -0.052 -9.280 6.812 42 HD2 LYS 426 HD2 LYS 426 -1.386 -10.876 4.628 43 HD3 LYS 426 HD1 LYS 426 -0.459 -9.392 4.407 44 HE2 LYS 426 HE2 LYS 426 1.521 -10.539 5.341 45 HE3 LYS 426 HE1 LYS 426 0.577 -12.025 5.446 46 HZ1 LYS 426 HZ1 LYS 426 1.511 -12.353 3.432 47 HZ2 LYS 426 HZ2 LYS 426 1.706 -10.699 3.109 48 HZ3 LYS 426 HZ3 LYS 426 0.186 -11.430 2.907 49 H SER 427 HN SER 427 -2.165 -8.597 9.884 50 HA SER 427 HA SER 427 -4.629 -8.121 8.510 51 HG SER 427 HG SER 427 -3.558 -9.747 11.217 52 HB2 SER 427 HB2 SER 427 -5.931 -8.354 10.780 53 HB3 SER 427 HB1 SER 427 -5.654 -9.784 9.785 54 H GLY 428 HN GLY 428 -5.056 -6.016 8.605 55 HA2 GLY 428 HA2 GLY 428 -3.307 -4.296 10.055 56 HA3 GLY 428 HA1 GLY 428 -4.647 -3.795 9.035 57 H VAL 429 HN VAL 429 -5.704 -2.367 10.245 58 HA VAL 429 HA VAL 429 -7.057 -3.285 12.636 59 HB VAL 429 HB VAL 429 -4.893 -2.525 13.533 60 HG11 VAL 429 HG11 VAL 429 -4.722 0.147 13.402 61 HG12 VAL 429 HG12 VAL 429 -5.443 -0.182 11.827 62 HG13 VAL 429 HG13 VAL 429 -3.911 -0.934 12.269 63 HG21 VAL 429 HG21 VAL 429 -6.668 -2.235 15.043 64 HG22 VAL 429 HG22 VAL 429 -7.290 -0.832 14.172 65 HG23 VAL 429 HG23 VAL 429 -5.778 -0.712 15.073 66 HA PRO 430 HA PRO 430 -10.242 -0.820 10.799 67 HB2 PRO 430 HB2 PRO 430 -11.052 -0.313 13.622 68 HB3 PRO 430 HB1 PRO 430 -12.014 -0.912 12.265 69 HG2 PRO 430 HG2 PRO 430 -11.191 -2.571 14.173 70 HG3 PRO 430 HG1 PRO 430 -11.205 -3.073 12.472 71 HD2 PRO 430 HD2 PRO 430 -8.902 -2.277 14.196 72 HD3 PRO 430 HD1 PRO 430 -8.988 -3.512 12.924 73 H VAL 431 HN VAL 431 -8.744 0.443 13.747 74 HA VAL 431 HA VAL 431 -8.210 2.533 14.452 75 HB VAL 431 HB VAL 431 -6.346 1.804 12.985 76 HG11 VAL 431 HG11 VAL 431 -6.167 3.408 10.875 77 HG12 VAL 431 HG12 VAL 431 -7.920 3.216 10.915 78 HG13 VAL 431 HG13 VAL 431 -6.881 1.796 10.785 79 HG21 VAL 431 HG21 VAL 431 -5.359 4.131 12.739 80 HG22 VAL 431 HG22 VAL 431 -5.901 3.649 14.347 81 HG23 VAL 431 HG23 VAL 431 -6.897 4.725 13.366 82 H THR 432 HN THR 432 -10.774 2.732 14.019 83 HA THR 432 HA THR 432 -12.476 4.212 13.717 84 HB THR 432 HB THR 432 -10.439 6.384 13.251 85 HG1 THR 432 HG1 THR 432 -9.548 5.860 15.104 86 HG21 THR 432 HG21 THR 432 -12.507 6.873 15.207 87 HG22 THR 432 HG22 THR 432 -13.202 6.357 13.670 88 HG23 THR 432 HG23 THR 432 -12.133 7.758 13.729 89 H GLN 433 HN GLN 433 -11.480 2.806 11.446 90 HA GLN 433 HA GLN 433 -12.667 4.377 9.324 91 HB2 GLN 433 HB2 GLN 433 -10.194 4.960 9.388 92 HB3 GLN 433 HB1 GLN 433 -9.867 3.285 8.982 93 HG2 GLN 433 HG2 GLN 433 -11.016 3.527 6.874 94 HG3 GLN 433 HG1 GLN 433 -11.487 5.173 7.290 95 HE21 GLN 433 HE21 GLN 433 -9.441 3.499 5.438 96 HE22 GLN 433 HE22 GLN 433 -8.099 4.596 5.376 97 H THR 434 HN THR 434 -13.675 2.239 10.570 98 HA THR 434 HA THR 434 -12.922 -0.226 9.320 99 HB THR 434 HB THR 434 -13.656 -0.321 11.598 100 HG1 THR 434 HG1 THR 434 -15.779 -1.419 10.043 101 HG21 THR 434 HG21 THR 434 -16.477 0.230 11.287 102 HG22 THR 434 HG22 THR 434 -15.497 1.638 10.883 103 HG23 THR 434 HG23 THR 434 -15.327 0.870 12.460 104 H GLN 435 HN GLN 435 -13.258 0.814 7.142 105 HA GLN 435 HA GLN 435 -15.816 1.406 6.150 106 HB2 GLN 435 HB2 GLN 435 -13.437 0.368 4.595 107 HB3 GLN 435 HB1 GLN 435 -14.812 1.241 3.935 108 HG2 GLN 435 HG2 GLN 435 -12.888 2.383 5.946 109 HG3 GLN 435 HG1 GLN 435 -12.757 2.607 4.206 110 HE21 GLN 435 HE21 GLN 435 -15.855 2.627 4.267 111 HE22 GLN 435 HE22 GLN 435 -16.220 4.263 4.710 112 H THR 436 HN THR 436 -13.863 -1.551 5.875 113 HA THR 436 HA THR 436 -14.384 -3.712 5.424 114 HB THR 436 HB THR 436 -17.128 -3.140 6.543 115 HG1 THR 436 HG1 THR 436 -16.272 -2.812 8.471 116 HG21 THR 436 HG21 THR 436 -16.425 -5.438 5.651 117 HG22 THR 436 HG22 THR 436 -17.085 -5.374 7.285 118 HG23 THR 436 HG23 THR 436 -15.345 -5.509 7.043 119 H ALA 437 HN ALA 437 -14.626 -2.076 3.255 120 HA ALA 437 HA ALA 437 -17.148 -2.556 1.918 121 HB1 ALA 437 HB1 ALA 437 -15.383 -1.561 0.034 122 HB2 ALA 437 HB2 ALA 437 -14.858 -0.814 1.543 123 HB3 ALA 437 HB3 ALA 437 -16.525 -0.624 0.999 124 H GLY 438 HN GLY 438 -13.777 -3.601 1.637 125 HA2 GLY 438 HA2 GLY 438 -12.920 -5.553 0.707 126 HA3 GLY 438 HA1 GLY 438 -14.564 -6.071 0.351 127 H ALA 439 HN ALA 439 -13.013 -3.056 -0.554 128 HA ALA 439 HA ALA 439 -12.720 -3.866 -3.318 129 HB1 ALA 439 HB1 ALA 439 -14.103 -1.507 -3.654 130 HB2 ALA 439 HB2 ALA 439 -15.010 -2.334 -2.387 131 HB3 ALA 439 HB3 ALA 439 -14.735 -3.129 -3.938 132 H ASP 440 HN ASP 440 -10.895 -3.119 -1.330 133 HA ASP 440 HA ASP 440 -9.691 -0.789 -2.616 134 HB2 ASP 440 HB2 ASP 440 -10.974 -0.043 -0.548 135 HB3 ASP 440 HB1 ASP 440 -9.838 -0.995 0.398 136 H THR 441 HN THR 441 -8.926 -3.287 -3.150 137 HA THR 441 HA THR 441 -7.055 -4.522 -1.484 138 HB THR 441 HB THR 441 -6.971 -4.400 -4.507 139 HG1 THR 441 HG1 THR 441 -8.867 -5.331 -4.164 140 HG21 THR 441 HG21 THR 441 -6.041 -6.738 -2.909 141 HG22 THR 441 HG22 THR 441 -4.985 -5.330 -3.027 142 HG23 THR 441 HG23 THR 441 -5.504 -6.168 -4.489 143 H THR 442 HN THR 442 -6.677 -1.963 -3.874 144 HA THR 442 HA THR 442 -5.217 -0.250 -4.037 145 HB THR 442 HB THR 442 -4.105 -1.177 -1.383 146 HG1 THR 442 HG1 THR 442 -6.303 -0.838 -1.116 147 HG21 THR 442 HG21 THR 442 -2.639 0.460 -2.028 148 HG22 THR 442 HG22 THR 442 -3.888 1.453 -1.269 149 HG23 THR 442 HG23 THR 442 -3.835 1.289 -3.026 150 H ALA 443 HN ALA 443 -3.600 -3.174 -2.822 151 HA ALA 443 HA ALA 443 -1.696 -4.256 -3.409 152 HB1 ALA 443 HB1 ALA 443 -1.924 -4.727 -5.559 153 HB2 ALA 443 HB2 ALA 443 -0.942 -3.303 -5.890 154 HB3 ALA 443 HB3 ALA 443 -2.700 -3.178 -5.888 155 H GLU 444 HN GLU 444 -1.700 -1.650 -2.153 156 HA GLU 444 HA GLU 444 1.093 -1.358 -2.010 157 HB2 GLU 444 HB2 GLU 444 1.156 1.113 -2.457 158 HB3 GLU 444 HB1 GLU 444 0.958 0.109 -3.882 159 HG2 GLU 444 HG2 GLU 444 -1.447 0.612 -3.873 160 HG3 GLU 444 HG1 GLU 444 -1.198 1.664 -2.479 161 H LYS 445 HN LYS 445 -0.775 -2.230 -0.329 162 HA LYS 445 HA LYS 445 -1.722 -0.283 1.538 163 HB2 LYS 445 HB2 LYS 445 -1.093 -3.225 1.816 164 HB3 LYS 445 HB1 LYS 445 -1.746 -2.262 3.132 165 HG2 LYS 445 HG2 LYS 445 -3.085 -2.654 0.464 166 HG3 LYS 445 HG1 LYS 445 -3.454 -3.568 1.927 167 HD2 LYS 445 HD2 LYS 445 -3.944 -1.358 3.042 168 HD3 LYS 445 HD1 LYS 445 -3.835 -0.623 1.440 169 HE2 LYS 445 HE2 LYS 445 -6.151 -1.092 1.999 170 HE3 LYS 445 HE1 LYS 445 -5.626 -2.094 0.647 171 HZ1 LYS 445 HZ1 LYS 445 -5.800 -3.979 1.854 172 HZ2 LYS 445 HZ2 LYS 445 -6.927 -3.066 2.729 173 HZ3 LYS 445 HZ3 LYS 445 -5.348 -3.246 3.316 174 H CYS 446 HN CYS 446 1.301 -1.809 0.930 175 HA CYS 446 HA CYS 446 2.592 -1.255 3.401 176 HB2 CYS 446 HB2 CYS 446 3.194 -2.912 1.463 177 HB3 CYS 446 HB1 CYS 446 4.052 -1.525 0.796 178 H LYS 447 HN LYS 447 1.524 0.753 0.966 179 HA LYS 447 HA LYS 447 3.540 2.687 0.705 180 HB2 LYS 447 HB2 LYS 447 1.360 2.438 -0.616 181 HB3 LYS 447 HB1 LYS 447 0.580 3.265 0.725 182 HG2 LYS 447 HG2 LYS 447 2.074 5.189 0.363 183 HG3 LYS 447 HG1 LYS 447 2.757 4.357 -1.036 184 HD2 LYS 447 HD2 LYS 447 0.436 4.231 -1.980 185 HD3 LYS 447 HD1 LYS 447 -0.089 5.276 -0.660 186 HE2 LYS 447 HE2 LYS 447 1.981 5.957 -2.745 187 HE3 LYS 447 HE1 LYS 447 0.321 6.545 -2.707 188 HZ1 LYS 447 HZ1 LYS 447 1.449 7.117 -0.232 189 HZ2 LYS 447 HZ2 LYS 447 1.007 8.205 -1.451 190 HZ3 LYS 447 HZ3 LYS 447 2.584 7.585 -1.403 191 H GLY 448 HN GLY 448 4.283 4.180 2.044 192 HA2 GLY 448 HA2 GLY 448 3.469 5.903 3.759 193 HA3 GLY 448 HA1 GLY 448 2.912 4.480 4.634 194 H LYS 449 HN LYS 449 5.144 2.828 3.828 195 HA LYS 449 HA LYS 449 7.022 3.680 5.840 196 HB2 LYS 449 HB2 LYS 449 7.050 1.298 3.977 197 HB3 LYS 449 HB1 LYS 449 8.241 1.595 5.234 198 HG2 LYS 449 HG2 LYS 449 6.194 1.663 6.813 199 HG3 LYS 449 HG1 LYS 449 5.371 0.829 5.495 200 HD2 LYS 449 HD2 LYS 449 7.929 -0.099 6.796 201 HD3 LYS 449 HD1 LYS 449 6.323 -0.708 7.187 202 HE2 LYS 449 HE2 LYS 449 6.074 -1.434 4.832 203 HE3 LYS 449 HE1 LYS 449 7.729 -0.907 4.528 204 HZ1 LYS 449 HZ1 LYS 449 7.644 -3.282 4.961 205 HZ2 LYS 449 HZ2 LYS 449 6.900 -3.008 6.458 206 HZ3 LYS 449 HZ3 LYS 449 8.493 -2.491 6.201 207 H GLY 450 HN GLY 450 9.045 4.446 5.542 208 HA2 GLY 450 HA2 GLY 450 9.666 5.763 3.096 209 HA3 GLY 450 HA1 GLY 450 10.742 5.571 4.475 210 H GLU 451 HN GLU 451 11.964 5.403 2.160 211 HA GLU 451 HA GLU 451 11.905 2.999 0.762 212 HB2 GLU 451 HB2 GLU 451 12.971 4.857 -0.210 213 HB3 GLU 451 HB1 GLU 451 14.043 5.069 1.163 214 HG2 GLU 451 HG2 GLU 451 14.247 2.525 -0.335 215 HG3 GLU 451 HG1 GLU 451 14.829 3.986 -1.132 216 H LYS 452 HN LYS 452 13.668 3.842 3.696 217 HA LYS 452 HA LYS 452 15.268 1.475 3.757 218 HB2 LYS 452 HB2 LYS 452 14.458 3.317 6.020 219 HB3 LYS 452 HB1 LYS 452 15.711 2.085 6.107 220 HG2 LYS 452 HG2 LYS 452 15.752 4.461 4.255 221 HG3 LYS 452 HG1 LYS 452 16.600 4.359 5.797 222 HD2 LYS 452 HD2 LYS 452 17.889 2.455 4.969 223 HD3 LYS 452 HD1 LYS 452 17.035 2.544 3.427 224 HE2 LYS 452 HE2 LYS 452 17.924 4.793 3.067 225 HE3 LYS 452 HE1 LYS 452 18.772 4.708 4.609 226 HZ1 LYS 452 HZ1 LYS 452 19.367 3.349 2.081 227 HZ2 LYS 452 HZ2 LYS 452 19.771 2.560 3.531 228 HZ3 LYS 452 HZ3 LYS 452 20.416 4.090 3.185 229 H ASP 453 HN ASP 453 12.202 2.418 5.236 230 HA ASP 453 HA ASP 453 11.862 -0.012 6.687 231 HB2 ASP 453 HB2 ASP 453 9.785 2.036 5.883 232 HB3 ASP 453 HB1 ASP 453 9.577 0.780 7.098 233 H CYS 454 HN CYS 454 10.735 1.193 3.588 234 HA CYS 454 HA CYS 454 9.142 -1.115 2.972 235 HB2 CYS 454 HB2 CYS 454 8.721 1.146 1.995 236 HB3 CYS 454 HB1 CYS 454 10.235 1.016 1.117 237 H LYS 455 HN LYS 455 10.923 -2.591 3.619 238 HA LYS 455 HA LYS 455 13.321 -2.828 2.179 239 HB2 LYS 455 HB2 LYS 455 12.623 -3.844 4.437 240 HB3 LYS 455 HB1 LYS 455 11.852 -5.105 3.488 241 HG2 LYS 455 HG2 LYS 455 13.998 -5.856 4.190 242 HG3 LYS 455 HG1 LYS 455 14.030 -5.595 2.446 243 HD2 LYS 455 HD2 LYS 455 15.167 -3.486 2.737 244 HD3 LYS 455 HD1 LYS 455 15.021 -3.608 4.492 245 HE2 LYS 455 HE2 LYS 455 16.578 -5.480 2.713 246 HE3 LYS 455 HE1 LYS 455 17.265 -4.209 3.724 247 HZ1 LYS 455 HZ1 LYS 455 15.990 -6.740 4.546 248 HZ2 LYS 455 HZ2 LYS 455 16.067 -5.424 5.617 249 HZ3 LYS 455 HZ3 LYS 455 17.494 -6.103 5.006 250 H SER 456 HN SER 456 13.807 -3.853 0.279 251 HA SER 456 HA SER 456 11.865 -4.096 -1.621 252 HG SER 456 HG SER 456 15.291 -3.646 -2.590 253 HB2 SER 456 HB2 SER 456 14.536 -5.511 -1.640 254 HB3 SER 456 HB1 SER 456 13.531 -5.182 -3.052 255 HA PRO 457 HA PRO 457 11.751 -8.945 -1.243 256 HB2 PRO 457 HB2 PRO 457 12.449 -9.306 1.607 257 HB3 PRO 457 HB1 PRO 457 12.921 -10.271 0.204 258 HG2 PRO 457 HG2 PRO 457 14.672 -8.673 1.430 259 HG3 PRO 457 HG1 PRO 457 14.679 -8.867 -0.334 260 HD2 PRO 457 HD2 PRO 457 13.596 -6.618 1.322 261 HD3 PRO 457 HD1 PRO 457 14.497 -6.558 -0.208 262 H ASP 458 HN ASP 458 11.104 -6.857 1.495 263 HA ASP 458 HA ASP 458 8.716 -8.229 2.299 264 HB2 ASP 458 HB2 ASP 458 10.096 -7.023 3.932 265 HB3 ASP 458 HB1 ASP 458 9.780 -5.509 3.092 266 H CYS 459 HN CYS 459 9.434 -5.206 0.552 267 HA CYS 459 HA CYS 459 6.746 -5.245 -0.591 268 HB2 CYS 459 HB2 CYS 459 7.830 -3.004 1.131 269 HB3 CYS 459 HB1 CYS 459 6.471 -2.798 0.027 270 H LYS 460 HN LYS 460 6.566 -4.043 -2.507 271 HA LYS 460 HA LYS 460 9.070 -3.638 -3.893 272 HB2 LYS 460 HB2 LYS 460 6.239 -3.134 -4.828 273 HB3 LYS 460 HB1 LYS 460 7.672 -3.171 -5.844 274 HG2 LYS 460 HG2 LYS 460 6.576 -5.503 -4.286 275 HG3 LYS 460 HG1 LYS 460 6.350 -5.223 -6.013 276 HD2 LYS 460 HD2 LYS 460 8.805 -5.314 -6.305 277 HD3 LYS 460 HD1 LYS 460 8.966 -5.698 -4.591 278 HE2 LYS 460 HE2 LYS 460 7.442 -7.339 -6.608 279 HE3 LYS 460 HE1 LYS 460 9.066 -7.699 -6.026 280 HZ1 LYS 460 HZ1 LYS 460 6.942 -8.788 -4.957 281 HZ2 LYS 460 HZ2 LYS 460 6.949 -7.366 -4.030 282 HZ3 LYS 460 HZ3 LYS 460 8.297 -8.390 -4.021 283 H TRP 461 HN TRP 461 10.082 -1.741 -4.203 284 HA TRP 461 HA TRP 461 8.712 0.711 -3.319 285 HD1 TRP 461 HD1 TRP 461 12.749 2.410 -4.214 286 HE1 TRP 461 HE1 TRP 461 12.589 4.827 -3.336 287 HE3 TRP 461 HE3 TRP 461 8.907 1.822 -0.884 288 HZ2 TRP 461 HZ2 TRP 461 11.055 6.278 -1.477 289 HZ3 TRP 461 HZ3 TRP 461 8.178 3.771 0.411 290 HH2 TRP 461 HH2 TRP 461 9.219 5.954 0.121 291 HB2 TRP 461 HB2 TRP 461 10.769 0.119 -2.072 292 HB3 TRP 461 HB1 TRP 461 11.680 0.153 -3.575 293 H GLU 462 HN GLU 462 8.194 2.175 -4.830 294 HA GLU 462 HA GLU 462 9.153 1.806 -7.555 295 HB2 GLU 462 HB2 GLU 462 6.726 2.339 -6.866 296 HB3 GLU 462 HB1 GLU 462 7.294 3.981 -6.611 297 HG2 GLU 462 HG2 GLU 462 6.271 3.759 -8.791 298 HG3 GLU 462 HG1 GLU 462 7.992 4.106 -8.948 299 H GLY 463 HN GLY 463 8.606 4.973 -7.565 300 HA2 GLY 463 HA2 GLY 463 11.424 5.653 -7.366 301 HA3 GLY 463 HA1 GLY 463 10.126 6.715 -7.901 302 H GLY 464 HN GLY 464 8.391 6.425 -5.749 303 HA2 GLY 464 HA2 GLY 464 9.813 7.033 -3.296 304 HA3 GLY 464 HA1 GLY 464 9.004 8.408 -4.039 305 H THR 465 HN THR 465 8.049 5.011 -3.830 306 HA THR 465 HA THR 465 6.048 5.484 -1.857 307 HB THR 465 HB THR 465 4.854 6.485 -3.732 308 HG1 THR 465 HG1 THR 465 3.546 4.026 -3.574 309 HG21 THR 465 HG21 THR 465 4.460 5.470 -5.785 310 HG22 THR 465 HG22 THR 465 4.829 3.857 -5.170 311 HG23 THR 465 HG23 THR 465 6.130 5.016 -5.443 312 H CYS 466 HN CYS 466 5.467 3.637 -0.897 313 HA CYS 466 HA CYS 466 6.760 1.199 -1.790 314 HB2 CYS 466 HB2 CYS 466 6.797 2.089 0.604 315 HB3 CYS 466 HB1 CYS 466 5.114 1.593 0.704 316 H LYS 467 HN LYS 467 5.660 -0.738 -2.249 317 HA LYS 467 HA LYS 467 2.748 -0.688 -2.228 318 HB2 LYS 467 HB2 LYS 467 2.510 -1.362 -4.535 319 HB3 LYS 467 HB1 LYS 467 3.386 0.160 -4.465 320 HG2 LYS 467 HG2 LYS 467 5.454 -0.920 -4.934 321 HG3 LYS 467 HG1 LYS 467 4.720 -2.516 -4.756 322 HD2 LYS 467 HD2 LYS 467 4.977 -2.015 -7.098 323 HD3 LYS 467 HD1 LYS 467 3.261 -2.019 -6.687 324 HE2 LYS 467 HE2 LYS 467 3.726 -0.150 -8.125 325 HE3 LYS 467 HE1 LYS 467 3.341 0.445 -6.512 326 HZ1 LYS 467 HZ1 LYS 467 6.078 0.070 -6.570 327 HZ2 LYS 467 HZ2 LYS 467 5.239 1.541 -6.566 328 HZ3 LYS 467 HZ3 LYS 467 5.692 0.830 -8.035 329 H ASP 468 HN ASP 468 1.821 -2.838 -2.668 330 HA ASP 468 HA ASP 468 3.288 -4.776 -1.162 331 HB2 ASP 468 HB2 ASP 468 0.617 -5.038 -2.559 332 HB3 ASP 468 HB1 ASP 468 1.285 -6.182 -1.402 Start of MODEL 7 1 H1 GLY 421 HT1 GLY 421 -4.954 10.175 0.794 2 H2 GLY 421 HT2 GLY 421 -4.791 8.487 0.844 3 H3 GLY 421 HT3 GLY 421 -3.537 9.441 0.222 4 HA2 GLY 421 HA1 GLY 421 -4.344 9.019 3.012 5 HA3 GLY 421 HA2 GLY 421 -2.733 8.983 2.305 6 H THR 422 HN THR 422 -4.177 10.539 4.549 7 HA THR 422 HA THR 422 -3.946 12.571 5.539 8 HB THR 422 HB THR 422 -2.072 13.329 3.287 9 HG1 THR 422 HG1 THR 422 -1.759 11.323 4.887 10 HG21 THR 422 HG21 THR 422 -1.091 14.822 4.971 11 HG22 THR 422 HG22 THR 422 -2.304 14.303 6.143 12 HG23 THR 422 HG23 THR 422 -2.793 15.196 4.703 13 H LYS 423 HN LYS 423 -6.188 12.694 4.824 14 HA LYS 423 HA LYS 423 -6.980 13.995 2.453 15 HB2 LYS 423 HB2 LYS 423 -8.432 12.503 3.780 16 HB3 LYS 423 HB1 LYS 423 -8.466 13.696 5.068 17 HG2 LYS 423 HG2 LYS 423 -9.538 15.285 3.513 18 HG3 LYS 423 HG1 LYS 423 -9.595 14.006 2.299 19 HD2 LYS 423 HD2 LYS 423 -10.857 13.800 5.029 20 HD3 LYS 423 HD1 LYS 423 -11.719 14.346 3.593 21 HE2 LYS 423 HE2 LYS 423 -12.261 12.084 3.728 22 HE3 LYS 423 HE1 LYS 423 -10.964 12.132 2.539 23 HZ1 LYS 423 HZ1 LYS 423 -9.408 11.409 4.217 24 HZ2 LYS 423 HZ2 LYS 423 -10.703 10.326 4.142 25 HZ3 LYS 423 HZ3 LYS 423 -10.611 11.450 5.408 26 H ALA 424 HN ALA 424 -6.540 16.033 1.963 27 HA ALA 424 HA ALA 424 -7.428 18.182 3.606 28 HB1 ALA 424 HB1 ALA 424 -4.465 17.701 3.401 29 HB2 ALA 424 HB2 ALA 424 -5.437 17.939 4.853 30 HB3 ALA 424 HB3 ALA 424 -5.147 19.287 3.754 31 H SER 425 HN SER 425 -4.588 18.596 1.631 32 HA SER 425 HA SER 425 -5.939 20.291 -0.219 33 HG SER 425 HG SER 425 -3.031 20.232 -2.190 34 HB2 SER 425 HB2 SER 425 -3.513 20.498 0.365 35 HB3 SER 425 HB1 SER 425 -3.215 18.997 -0.512 36 H LYS 426 HN LYS 426 -4.814 16.936 -0.264 37 HA LYS 426 HA LYS 426 -6.133 16.576 -2.865 38 HB2 LYS 426 HB2 LYS 426 -3.753 15.785 -2.558 39 HB3 LYS 426 HB1 LYS 426 -4.365 14.600 -1.414 40 HG2 LYS 426 HG2 LYS 426 -4.020 13.630 -3.628 41 HG3 LYS 426 HG1 LYS 426 -5.723 13.585 -3.157 42 HD2 LYS 426 HD2 LYS 426 -6.135 15.600 -4.498 43 HD3 LYS 426 HD1 LYS 426 -4.436 15.623 -4.974 44 HE2 LYS 426 HE2 LYS 426 -4.691 13.490 -6.093 45 HE3 LYS 426 HE1 LYS 426 -6.366 13.378 -5.548 46 HZ1 LYS 426 HZ1 LYS 426 -6.329 14.137 -7.798 47 HZ2 LYS 426 HZ2 LYS 426 -5.231 15.376 -7.426 48 HZ3 LYS 426 HZ3 LYS 426 -6.815 15.433 -6.817 49 H SER 427 HN SER 427 -8.002 15.534 -3.001 50 HA SER 427 HA SER 427 -8.841 13.609 -1.011 51 HG SER 427 HG SER 427 -8.446 15.672 0.216 52 HB2 SER 427 HB2 SER 427 -10.393 16.179 -1.444 53 HB3 SER 427 HB1 SER 427 -10.940 14.805 -0.482 54 H GLY 428 HN GLY 428 -10.378 12.210 -1.791 55 HA2 GLY 428 HA2 GLY 428 -12.073 12.570 -3.977 56 HA3 GLY 428 HA1 GLY 428 -10.545 11.962 -4.600 57 H VAL 429 HN VAL 429 -10.662 9.901 -4.973 58 HA VAL 429 HA VAL 429 -11.294 7.736 -4.957 59 HB VAL 429 HB VAL 429 -10.645 6.480 -2.939 60 HG11 VAL 429 HG11 VAL 429 -8.908 6.869 -4.438 61 HG12 VAL 429 HG12 VAL 429 -8.254 7.389 -2.885 62 HG13 VAL 429 HG13 VAL 429 -8.828 8.586 -4.047 63 HG21 VAL 429 HG21 VAL 429 -11.373 8.473 -1.391 64 HG22 VAL 429 HG22 VAL 429 -9.699 8.979 -1.623 65 HG23 VAL 429 HG23 VAL 429 -10.054 7.398 -0.925 66 HA PRO 430 HA PRO 430 -15.583 7.657 -3.652 67 HB2 PRO 430 HB2 PRO 430 -15.929 5.621 -5.669 68 HB3 PRO 430 HB1 PRO 430 -16.527 7.282 -5.673 69 HG2 PRO 430 HG2 PRO 430 -14.598 6.341 -7.378 70 HG3 PRO 430 HG1 PRO 430 -14.765 8.040 -6.904 71 HD2 PRO 430 HD2 PRO 430 -12.872 5.961 -5.873 72 HD3 PRO 430 HD1 PRO 430 -12.581 7.681 -6.219 73 H VAL 431 HN VAL 431 -13.847 6.373 -1.991 74 HA VAL 431 HA VAL 431 -14.572 3.540 -1.984 75 HB VAL 431 HB VAL 431 -12.808 4.830 0.072 76 HG11 VAL 431 HG11 VAL 431 -13.658 2.221 -0.425 77 HG12 VAL 431 HG12 VAL 431 -12.400 2.742 0.695 78 HG13 VAL 431 HG13 VAL 431 -11.975 2.274 -0.953 79 HG21 VAL 431 HG21 VAL 431 -11.050 5.111 -1.292 80 HG22 VAL 431 HG22 VAL 431 -12.273 5.203 -2.560 81 HG23 VAL 431 HG23 VAL 431 -11.435 3.683 -2.250 82 H THR 432 HN THR 432 -16.506 5.653 -1.406 83 HA THR 432 HA THR 432 -17.037 5.574 1.420 84 HB THR 432 HB THR 432 -18.941 6.372 -0.789 85 HG1 THR 432 HG1 THR 432 -17.009 7.964 0.594 86 HG21 THR 432 HG21 THR 432 -20.083 7.621 0.862 87 HG22 THR 432 HG22 THR 432 -18.772 7.420 2.027 88 HG23 THR 432 HG23 THR 432 -19.781 6.041 1.586 89 H GLN 433 HN GLN 433 -18.424 4.154 -1.506 90 HA GLN 433 HA GLN 433 -19.037 1.722 -0.119 91 HB2 GLN 433 HB2 GLN 433 -21.001 3.307 0.350 92 HB3 GLN 433 HB1 GLN 433 -21.380 3.158 -1.361 93 HG2 GLN 433 HG2 GLN 433 -21.686 0.770 -1.119 94 HG3 GLN 433 HG1 GLN 433 -21.211 0.861 0.577 95 HE21 GLN 433 HE21 GLN 433 -22.797 0.910 1.969 96 HE22 GLN 433 HE22 GLN 433 -24.406 1.484 1.671 97 H THR 434 HN THR 434 -17.284 2.088 -2.041 98 HA THR 434 HA THR 434 -18.326 0.525 -4.236 99 HB THR 434 HB THR 434 -16.993 3.180 -4.835 100 HG1 THR 434 HG1 THR 434 -19.634 2.505 -4.455 101 HG21 THR 434 HG21 THR 434 -18.379 1.350 -6.775 102 HG22 THR 434 HG22 THR 434 -16.662 1.190 -6.409 103 HG23 THR 434 HG23 THR 434 -17.276 2.683 -7.117 104 H GLN 435 HN GLN 435 -16.932 -1.093 -3.845 105 HA GLN 435 HA GLN 435 -14.051 -0.468 -3.913 106 HB2 GLN 435 HB2 GLN 435 -15.468 -2.472 -2.142 107 HB3 GLN 435 HB1 GLN 435 -13.724 -2.378 -2.326 108 HG2 GLN 435 HG2 GLN 435 -14.077 -1.216 -0.373 109 HG3 GLN 435 HG1 GLN 435 -14.006 0.075 -1.568 110 HE21 GLN 435 HE21 GLN 435 -16.824 -1.914 -1.490 111 HE22 GLN 435 HE22 GLN 435 -17.878 -0.761 -0.749 112 H THR 436 HN THR 436 -12.696 -2.105 -4.807 113 HA THR 436 HA THR 436 -13.582 -3.183 -7.173 114 HB THR 436 HB THR 436 -11.326 -4.458 -5.636 115 HG1 THR 436 HG1 THR 436 -11.416 -1.886 -6.888 116 HG21 THR 436 HG21 THR 436 -10.677 -3.780 -8.308 117 HG22 THR 436 HG22 THR 436 -12.272 -4.533 -8.330 118 HG23 THR 436 HG23 THR 436 -10.903 -5.387 -7.615 119 H ALA 437 HN ALA 437 -12.709 -5.166 -4.322 120 HA ALA 437 HA ALA 437 -15.104 -6.746 -4.526 121 HB1 ALA 437 HB1 ALA 437 -12.751 -7.591 -5.960 122 HB2 ALA 437 HB2 ALA 437 -14.359 -8.318 -5.917 123 HB3 ALA 437 HB3 ALA 437 -13.161 -8.755 -4.697 124 H GLY 438 HN GLY 438 -13.669 -5.145 -2.583 125 HA2 GLY 438 HA2 GLY 438 -14.059 -6.451 -0.237 126 HA3 GLY 438 HA1 GLY 438 -12.431 -6.938 -0.695 127 H ALA 439 HN ALA 439 -11.605 -4.572 -1.926 128 HA ALA 439 HA ALA 439 -11.987 -2.338 -0.146 129 HB1 ALA 439 HB1 ALA 439 -9.834 -4.198 0.326 130 HB2 ALA 439 HB2 ALA 439 -10.322 -2.790 1.268 131 HB3 ALA 439 HB3 ALA 439 -9.203 -2.603 -0.084 132 H ASP 440 HN ASP 440 -11.659 -0.487 -1.267 133 HA ASP 440 HA ASP 440 -10.658 -0.746 -3.991 134 HB2 ASP 440 HB2 ASP 440 -12.755 0.513 -3.603 135 HB3 ASP 440 HB1 ASP 440 -11.856 1.673 -2.627 136 H THR 441 HN THR 441 -9.957 0.977 -1.029 137 HA THR 441 HA THR 441 -7.463 2.021 -2.098 138 HB THR 441 HB THR 441 -7.117 2.707 0.362 139 HG1 THR 441 HG1 THR 441 -8.580 1.842 1.628 140 HG21 THR 441 HG21 THR 441 -7.890 4.731 -0.220 141 HG22 THR 441 HG22 THR 441 -9.525 4.136 -0.490 142 HG23 THR 441 HG23 THR 441 -8.309 3.971 -1.755 143 H THR 442 HN THR 442 -5.697 0.808 -2.146 144 HA THR 442 HA THR 442 -5.704 -1.817 -1.106 145 HB THR 442 HB THR 442 -3.335 -0.236 -2.120 146 HG1 THR 442 HG1 THR 442 -5.439 -1.635 -3.399 147 HG21 THR 442 HG21 THR 442 -2.376 -2.117 -1.202 148 HG22 THR 442 HG22 THR 442 -2.747 -2.696 -2.831 149 HG23 THR 442 HG23 THR 442 -3.808 -3.110 -1.482 150 H ALA 443 HN ALA 443 -5.390 -2.410 0.917 151 HA ALA 443 HA ALA 443 -4.181 -0.666 2.855 152 HB1 ALA 443 HB1 ALA 443 -5.890 -2.952 2.904 153 HB2 ALA 443 HB2 ALA 443 -5.517 -1.811 4.198 154 HB3 ALA 443 HB3 ALA 443 -4.496 -3.232 3.954 155 H GLU 444 HN GLU 444 -2.288 -1.079 1.000 156 HA GLU 444 HA GLU 444 -0.585 -3.279 1.362 157 HB2 GLU 444 HB2 GLU 444 -0.171 -0.466 0.400 158 HB3 GLU 444 HB1 GLU 444 1.211 -1.522 0.639 159 HG2 GLU 444 HG2 GLU 444 -1.124 -2.155 -1.141 160 HG3 GLU 444 HG1 GLU 444 0.390 -1.438 -1.687 161 H LYS 445 HN LYS 445 0.481 -3.876 3.111 162 HA LYS 445 HA LYS 445 0.838 -2.369 5.448 163 HB2 LYS 445 HB2 LYS 445 1.047 -4.845 5.276 164 HB3 LYS 445 HB1 LYS 445 2.543 -4.633 4.380 165 HG2 LYS 445 HG2 LYS 445 3.506 -3.486 6.349 166 HG3 LYS 445 HG1 LYS 445 2.023 -3.856 7.231 167 HD2 LYS 445 HD2 LYS 445 3.744 -5.493 7.746 168 HD3 LYS 445 HD1 LYS 445 2.418 -6.254 6.864 169 HE2 LYS 445 HE2 LYS 445 3.745 -5.999 4.777 170 HE3 LYS 445 HE1 LYS 445 5.084 -5.390 5.748 171 HZ1 LYS 445 HZ1 LYS 445 5.409 -7.444 6.736 172 HZ2 LYS 445 HZ2 LYS 445 5.051 -7.857 5.131 173 HZ3 LYS 445 HZ3 LYS 445 3.863 -8.014 6.332 174 H CYS 446 HN CYS 446 2.600 -2.614 2.487 175 HA CYS 446 HA CYS 446 4.972 -1.264 3.380 176 HB2 CYS 446 HB2 CYS 446 4.198 -1.544 0.504 177 HB3 CYS 446 HB1 CYS 446 5.785 -1.697 1.250 178 H LYS 447 HN LYS 447 1.893 -0.343 2.136 179 HA LYS 447 HA LYS 447 2.382 1.923 0.686 180 HB2 LYS 447 HB2 LYS 447 0.173 0.759 1.128 181 HB3 LYS 447 HB1 LYS 447 0.094 1.662 2.633 182 HG2 LYS 447 HG2 LYS 447 -1.216 2.858 1.123 183 HG3 LYS 447 HG1 LYS 447 0.301 3.754 1.219 184 HD2 LYS 447 HD2 LYS 447 1.059 2.723 -0.852 185 HD3 LYS 447 HD1 LYS 447 -0.429 1.777 -0.941 186 HE2 LYS 447 HE2 LYS 447 -1.716 3.882 -1.062 187 HE3 LYS 447 HE1 LYS 447 -0.200 4.782 -1.064 188 HZ1 LYS 447 HZ1 LYS 447 -1.404 4.152 -3.286 189 HZ2 LYS 447 HZ2 LYS 447 -0.576 2.688 -3.082 190 HZ3 LYS 447 HZ3 LYS 447 0.289 4.145 -3.181 191 H GLY 448 HN GLY 448 2.947 3.945 1.029 192 HA2 GLY 448 HA2 GLY 448 3.408 5.932 2.035 193 HA3 GLY 448 HA1 GLY 448 2.313 5.427 3.305 194 H LYS 449 HN LYS 449 5.330 3.750 2.526 195 HA LYS 449 HA LYS 449 6.423 4.813 5.042 196 HB2 LYS 449 HB2 LYS 449 6.884 2.076 3.849 197 HB3 LYS 449 HB1 LYS 449 7.591 2.683 5.344 198 HG2 LYS 449 HG2 LYS 449 5.177 3.009 6.116 199 HG3 LYS 449 HG1 LYS 449 4.752 1.962 4.761 200 HD2 LYS 449 HD2 LYS 449 6.668 1.273 6.968 201 HD3 LYS 449 HD1 LYS 449 5.000 0.725 6.862 202 HE2 LYS 449 HE2 LYS 449 5.515 -0.415 4.758 203 HE3 LYS 449 HE1 LYS 449 7.188 0.135 4.875 204 HZ1 LYS 449 HZ1 LYS 449 6.664 -2.205 5.664 205 HZ2 LYS 449 HZ2 LYS 449 5.925 -1.479 7.008 206 HZ3 LYS 449 HZ3 LYS 449 7.576 -1.231 6.710 207 H GLY 450 HN GLY 450 8.626 5.283 5.113 208 HA2 GLY 450 HA2 GLY 450 9.765 6.194 2.641 209 HA3 GLY 450 HA1 GLY 450 10.541 6.222 4.219 210 H GLU 451 HN GLU 451 11.791 5.477 1.727 211 HA GLU 451 HA GLU 451 11.903 2.742 1.242 212 HB2 GLU 451 HB2 GLU 451 12.889 4.431 -0.243 213 HB3 GLU 451 HB1 GLU 451 14.144 4.752 0.947 214 HG2 GLU 451 HG2 GLU 451 14.883 2.394 0.723 215 HG3 GLU 451 HG1 GLU 451 13.701 2.190 -0.568 216 H LYS 452 HN LYS 452 13.556 4.653 3.674 217 HA LYS 452 HA LYS 452 15.499 2.811 4.476 218 HB2 LYS 452 HB2 LYS 452 13.961 4.798 6.157 219 HB3 LYS 452 HB1 LYS 452 15.422 3.965 6.672 220 HG2 LYS 452 HG2 LYS 452 16.676 5.042 4.873 221 HG3 LYS 452 HG1 LYS 452 15.208 5.875 4.353 222 HD2 LYS 452 HD2 LYS 452 15.077 6.963 6.560 223 HD3 LYS 452 HD1 LYS 452 16.584 6.167 7.021 224 HE2 LYS 452 HE2 LYS 452 17.743 7.310 5.201 225 HE3 LYS 452 HE1 LYS 452 16.237 8.100 4.733 226 HZ1 LYS 452 HZ1 LYS 452 16.199 9.076 7.012 227 HZ2 LYS 452 HZ2 LYS 452 17.471 9.621 6.032 228 HZ3 LYS 452 HZ3 LYS 452 17.767 8.474 7.245 229 H ASP 453 HN ASP 453 12.101 3.110 5.397 230 HA ASP 453 HA ASP 453 12.334 0.754 7.104 231 HB2 ASP 453 HB2 ASP 453 11.003 2.625 7.954 232 HB3 ASP 453 HB1 ASP 453 9.944 2.521 6.549 233 H CYS 454 HN CYS 454 10.474 1.821 4.254 234 HA CYS 454 HA CYS 454 9.298 -0.735 3.856 235 HB2 CYS 454 HB2 CYS 454 8.613 1.680 2.986 236 HB3 CYS 454 HB1 CYS 454 9.486 1.129 1.553 237 H LYS 455 HN LYS 455 10.768 -2.274 3.686 238 HA LYS 455 HA LYS 455 11.790 -2.725 1.084 239 HB2 LYS 455 HB2 LYS 455 13.759 -2.696 3.380 240 HB3 LYS 455 HB1 LYS 455 14.032 -3.545 1.865 241 HG2 LYS 455 HG2 LYS 455 13.693 -0.567 2.205 242 HG3 LYS 455 HG1 LYS 455 15.204 -1.420 1.892 243 HD2 LYS 455 HD2 LYS 455 12.816 -1.393 0.043 244 HD3 LYS 455 HD1 LYS 455 14.240 -0.366 -0.132 245 HE2 LYS 455 HE2 LYS 455 14.361 -3.375 -0.089 246 HE3 LYS 455 HE1 LYS 455 14.190 -2.433 -1.569 247 HZ1 LYS 455 HZ1 LYS 455 16.536 -3.077 -0.219 248 HZ2 LYS 455 HZ2 LYS 455 16.332 -1.403 -0.055 249 HZ3 LYS 455 HZ3 LYS 455 16.366 -2.105 -1.597 250 H SER 456 HN SER 456 11.579 -4.793 0.650 251 HA SER 456 HA SER 456 11.475 -6.850 2.638 252 HG SER 456 HG SER 456 8.618 -7.973 2.792 253 HB2 SER 456 HB2 SER 456 9.381 -6.065 3.262 254 HB3 SER 456 HB1 SER 456 9.001 -5.491 1.643 255 HA PRO 457 HA PRO 457 11.984 -9.209 -1.123 256 HB2 PRO 457 HB2 PRO 457 11.408 -11.669 -0.209 257 HB3 PRO 457 HB1 PRO 457 12.902 -10.843 0.252 258 HG2 PRO 457 HG2 PRO 457 10.374 -11.192 1.802 259 HG3 PRO 457 HG1 PRO 457 12.054 -11.253 2.362 260 HD2 PRO 457 HD2 PRO 457 10.378 -9.066 2.617 261 HD3 PRO 457 HD1 PRO 457 12.152 -8.993 2.655 262 H ASP 458 HN ASP 458 9.452 -7.898 -0.211 263 HA ASP 458 HA ASP 458 7.668 -9.250 -2.059 264 HB2 ASP 458 HB2 ASP 458 7.203 -10.296 0.154 265 HB3 ASP 458 HB1 ASP 458 6.797 -8.704 0.784 266 H CYS 459 HN CYS 459 8.146 -6.520 0.221 267 HA CYS 459 HA CYS 459 6.235 -4.860 -1.169 268 HB2 CYS 459 HB2 CYS 459 8.456 -3.951 0.715 269 HB3 CYS 459 HB1 CYS 459 7.114 -2.978 0.104 270 H LYS 460 HN LYS 460 6.558 -3.376 -2.779 271 HA LYS 460 HA LYS 460 9.245 -3.440 -3.989 272 HB2 LYS 460 HB2 LYS 460 7.462 -4.475 -5.345 273 HB3 LYS 460 HB1 LYS 460 6.579 -2.955 -5.320 274 HG2 LYS 460 HG2 LYS 460 8.383 -1.868 -6.534 275 HG3 LYS 460 HG1 LYS 460 9.301 -3.375 -6.535 276 HD2 LYS 460 HD2 LYS 460 8.307 -3.325 -8.638 277 HD3 LYS 460 HD1 LYS 460 7.257 -4.389 -7.703 278 HE2 LYS 460 HE2 LYS 460 6.736 -1.452 -8.142 279 HE3 LYS 460 HE1 LYS 460 6.062 -2.730 -9.146 280 HZ1 LYS 460 HZ1 LYS 460 5.380 -3.510 -6.639 281 HZ2 LYS 460 HZ2 LYS 460 4.375 -2.664 -7.712 282 HZ3 LYS 460 HZ3 LYS 460 5.255 -1.822 -6.541 283 H TRP 461 HN TRP 461 10.262 -1.588 -4.507 284 HA TRP 461 HA TRP 461 9.037 0.898 -3.537 285 HD1 TRP 461 HD1 TRP 461 12.730 2.863 -4.886 286 HE1 TRP 461 HE1 TRP 461 12.520 5.149 -3.708 287 HE3 TRP 461 HE3 TRP 461 9.500 1.554 -1.152 288 HZ2 TRP 461 HZ2 TRP 461 11.146 6.229 -1.492 289 HZ3 TRP 461 HZ3 TRP 461 8.782 3.273 0.437 290 HH2 TRP 461 HH2 TRP 461 9.587 5.568 0.271 291 HB2 TRP 461 HB2 TRP 461 11.358 0.184 -2.776 292 HB3 TRP 461 HB1 TRP 461 11.897 0.487 -4.426 293 H GLU 462 HN GLU 462 8.167 2.250 -4.982 294 HA GLU 462 HA GLU 462 8.509 1.733 -7.799 295 HB2 GLU 462 HB2 GLU 462 6.973 3.958 -6.453 296 HB3 GLU 462 HB1 GLU 462 6.812 3.435 -8.123 297 HG2 GLU 462 HG2 GLU 462 6.222 1.657 -5.774 298 HG3 GLU 462 HG1 GLU 462 5.013 2.678 -6.549 299 H GLY 463 HN GLY 463 9.437 4.218 -5.508 300 HA2 GLY 463 HA2 GLY 463 11.753 5.094 -6.541 301 HA3 GLY 463 HA1 GLY 463 10.579 5.912 -7.563 302 H GLY 464 HN GLY 464 8.601 6.582 -5.917 303 HA2 GLY 464 HA2 GLY 464 9.809 7.932 -3.595 304 HA3 GLY 464 HA1 GLY 464 8.810 8.853 -4.712 305 H THR 465 HN THR 465 8.207 5.530 -3.982 306 HA THR 465 HA THR 465 6.394 5.823 -1.863 307 HB THR 465 HB THR 465 5.088 7.009 -3.663 308 HG1 THR 465 HG1 THR 465 3.593 6.361 -2.326 309 HG21 THR 465 HG21 THR 465 5.420 5.941 -5.674 310 HG22 THR 465 HG22 THR 465 3.873 5.254 -5.190 311 HG23 THR 465 HG23 THR 465 5.357 4.331 -4.956 312 H CYS 466 HN CYS 466 5.679 3.859 -1.140 313 HA CYS 466 HA CYS 466 6.900 1.538 -2.482 314 HB2 CYS 466 HB2 CYS 466 7.682 2.323 -0.200 315 HB3 CYS 466 HB1 CYS 466 6.110 1.834 0.415 316 H LYS 467 HN LYS 467 5.642 -0.198 -3.060 317 HA LYS 467 HA LYS 467 3.235 -0.935 -1.807 318 HB2 LYS 467 HB2 LYS 467 1.606 -0.234 -3.511 319 HB3 LYS 467 HB1 LYS 467 2.362 1.133 -2.708 320 HG2 LYS 467 HG2 LYS 467 3.879 1.392 -4.635 321 HG3 LYS 467 HG1 LYS 467 3.022 0.081 -5.448 322 HD2 LYS 467 HD2 LYS 467 0.950 1.381 -5.347 323 HD3 LYS 467 HD1 LYS 467 1.816 2.696 -4.549 324 HE2 LYS 467 HE2 LYS 467 1.578 3.177 -6.912 325 HE3 LYS 467 HE1 LYS 467 3.276 2.903 -6.519 326 HZ1 LYS 467 HZ1 LYS 467 1.598 0.685 -7.506 327 HZ2 LYS 467 HZ2 LYS 467 3.284 0.865 -7.583 328 HZ3 LYS 467 HZ3 LYS 467 2.284 1.789 -8.599 329 H ASP 468 HN ASP 468 2.473 -2.822 -2.504 330 HA ASP 468 HA ASP 468 2.491 -4.862 -3.466 331 HB2 ASP 468 HB2 ASP 468 1.287 -3.376 -5.159 332 HB3 ASP 468 HB1 ASP 468 2.786 -3.369 -6.078 Start of MODEL 8 1 H1 GLY 421 HT1 GLY 421 -29.146 -36.493 -3.914 2 H2 GLY 421 HT2 GLY 421 -30.622 -35.707 -3.631 3 H3 GLY 421 HT3 GLY 421 -29.678 -36.233 -2.323 4 HA2 GLY 421 HA1 GLY 421 -29.504 -33.839 -2.634 5 HA3 GLY 421 HA2 GLY 421 -27.961 -34.656 -2.856 6 H THR 422 HN THR 422 -29.236 -32.099 -3.930 7 HA THR 422 HA THR 422 -28.147 -32.374 -6.587 8 HB THR 422 HB THR 422 -30.445 -33.079 -7.013 9 HG1 THR 422 HG1 THR 422 -30.955 -30.873 -8.269 10 HG21 THR 422 HG21 THR 422 -31.644 -30.462 -6.401 11 HG22 THR 422 HG22 THR 422 -31.198 -31.436 -4.999 12 HG23 THR 422 HG23 THR 422 -32.301 -32.088 -6.210 13 H LYS 423 HN LYS 423 -27.295 -30.486 -7.295 14 HA LYS 423 HA LYS 423 -27.014 -28.392 -5.383 15 HB2 LYS 423 HB2 LYS 423 -25.200 -29.066 -6.919 16 HB3 LYS 423 HB1 LYS 423 -26.148 -28.486 -8.279 17 HG2 LYS 423 HG2 LYS 423 -26.070 -26.212 -7.326 18 HG3 LYS 423 HG1 LYS 423 -25.042 -26.819 -6.027 19 HD2 LYS 423 HD2 LYS 423 -24.336 -27.042 -8.951 20 HD3 LYS 423 HD1 LYS 423 -23.841 -25.691 -7.933 21 HE2 LYS 423 HE2 LYS 423 -22.000 -27.128 -7.906 22 HE3 LYS 423 HE1 LYS 423 -22.827 -27.467 -6.387 23 HZ1 LYS 423 HZ1 LYS 423 -22.051 -29.335 -8.142 24 HZ2 LYS 423 HZ2 LYS 423 -23.662 -29.111 -8.620 25 HZ3 LYS 423 HZ3 LYS 423 -23.305 -29.548 -7.019 26 H ALA 424 HN ALA 424 -28.057 -26.522 -5.202 27 HA ALA 424 HA ALA 424 -30.282 -25.948 -6.982 28 HB1 ALA 424 HB1 ALA 424 -29.361 -24.879 -4.348 29 HB2 ALA 424 HB2 ALA 424 -30.930 -25.543 -4.804 30 HB3 ALA 424 HB3 ALA 424 -30.465 -23.927 -5.339 31 H SER 425 HN SER 425 -30.539 -23.738 -7.856 32 HA SER 425 HA SER 425 -28.207 -23.007 -9.325 33 HG SER 425 HG SER 425 -31.174 -21.597 -8.166 34 HB2 SER 425 HB2 SER 425 -29.796 -21.171 -10.189 35 HB3 SER 425 HB1 SER 425 -30.231 -22.851 -10.506 36 H LYS 426 HN LYS 426 -27.781 -22.618 -6.548 37 HA LYS 426 HA LYS 426 -26.427 -20.217 -6.542 38 HB2 LYS 426 HB2 LYS 426 -28.761 -19.229 -6.461 39 HB3 LYS 426 HB1 LYS 426 -28.946 -19.970 -4.878 40 HG2 LYS 426 HG2 LYS 426 -26.993 -18.679 -4.084 41 HG3 LYS 426 HG1 LYS 426 -26.922 -17.879 -5.653 42 HD2 LYS 426 HD2 LYS 426 -28.089 -16.409 -4.210 43 HD3 LYS 426 HD1 LYS 426 -29.312 -17.150 -5.247 44 HE2 LYS 426 HE2 LYS 426 -30.114 -17.108 -2.974 45 HE3 LYS 426 HE1 LYS 426 -29.793 -18.774 -3.448 46 HZ1 LYS 426 HZ1 LYS 426 -27.457 -17.732 -2.312 47 HZ2 LYS 426 HZ2 LYS 426 -28.454 -18.967 -1.709 48 HZ3 LYS 426 HZ3 LYS 426 -28.743 -17.355 -1.274 49 H SER 427 HN SER 427 -28.396 -22.257 -4.428 50 HA SER 427 HA SER 427 -26.888 -21.999 -2.116 51 HG SER 427 HG SER 427 -30.216 -23.361 -2.013 52 HB2 SER 427 HB2 SER 427 -28.489 -24.412 -2.995 53 HB3 SER 427 HB1 SER 427 -28.042 -23.998 -1.338 54 H GLY 428 HN GLY 428 -25.169 -23.000 -1.266 55 HA2 GLY 428 HA2 GLY 428 -23.674 -25.044 -1.392 56 HA3 GLY 428 HA1 GLY 428 -23.614 -24.691 -3.117 57 H VAL 429 HN VAL 429 -23.326 -22.114 -3.327 58 HA VAL 429 HA VAL 429 -21.870 -20.382 -3.300 59 HB VAL 429 HB VAL 429 -21.665 -20.999 -0.352 60 HG11 VAL 429 HG11 VAL 429 -21.449 -18.332 -1.730 61 HG12 VAL 429 HG12 VAL 429 -20.053 -19.335 -1.338 62 HG13 VAL 429 HG13 VAL 429 -21.087 -18.719 -0.049 63 HG21 VAL 429 HG21 VAL 429 -23.512 -19.184 -0.283 64 HG22 VAL 429 HG22 VAL 429 -23.957 -20.845 -0.674 65 HG23 VAL 429 HG23 VAL 429 -23.799 -19.649 -1.961 66 HA PRO 430 HA PRO 430 -17.899 -22.594 -3.551 67 HB2 PRO 430 HB2 PRO 430 -17.287 -20.537 -5.526 68 HB3 PRO 430 HB1 PRO 430 -17.373 -22.286 -5.743 69 HG2 PRO 430 HG2 PRO 430 -19.183 -20.580 -6.825 70 HG3 PRO 430 HG1 PRO 430 -19.589 -22.237 -6.340 71 HD2 PRO 430 HD2 PRO 430 -20.102 -19.660 -4.902 72 HD3 PRO 430 HD1 PRO 430 -21.160 -21.076 -5.087 73 H VAL 431 HN VAL 431 -16.451 -22.048 -2.032 74 HA VAL 431 HA VAL 431 -16.452 -19.442 -0.883 75 HB VAL 431 HB VAL 431 -14.373 -21.587 -0.434 76 HG11 VAL 431 HG11 VAL 431 -14.042 -19.184 0.397 77 HG12 VAL 431 HG12 VAL 431 -13.858 -20.492 1.565 78 HG13 VAL 431 HG13 VAL 431 -15.341 -19.540 1.534 79 HG21 VAL 431 HG21 VAL 431 -16.060 -22.847 0.321 80 HG22 VAL 431 HG22 VAL 431 -17.196 -21.498 0.291 81 HG23 VAL 431 HG23 VAL 431 -16.127 -21.719 1.676 82 H THR 432 HN THR 432 -15.616 -17.754 -1.859 83 HA THR 432 HA THR 432 -13.543 -18.048 -3.832 84 HB THR 432 HB THR 432 -14.897 -15.525 -2.854 85 HG1 THR 432 HG1 THR 432 -15.559 -17.371 -4.926 86 HG21 THR 432 HG21 THR 432 -13.913 -14.405 -4.573 87 HG22 THR 432 HG22 THR 432 -13.904 -15.819 -5.627 88 HG23 THR 432 HG23 THR 432 -12.680 -15.649 -4.368 89 H GLN 433 HN GLN 433 -13.914 -16.391 -0.704 90 HA GLN 433 HA GLN 433 -11.312 -15.271 -0.707 91 HB2 GLN 433 HB2 GLN 433 -13.278 -15.778 1.522 92 HB3 GLN 433 HB1 GLN 433 -11.745 -14.951 1.764 93 HG2 GLN 433 HG2 GLN 433 -14.013 -14.060 -0.001 94 HG3 GLN 433 HG1 GLN 433 -13.513 -13.340 1.530 95 HE21 GLN 433 HE21 GLN 433 -13.461 -12.851 -1.644 96 HE22 GLN 433 HE22 GLN 433 -11.984 -11.959 -1.812 97 H THR 434 HN THR 434 -12.634 -18.069 1.070 98 HA THR 434 HA THR 434 -11.645 -19.745 2.227 99 HB THR 434 HB THR 434 -9.465 -20.674 1.111 100 HG1 THR 434 HG1 THR 434 -9.643 -18.533 -0.290 101 HG21 THR 434 HG21 THR 434 -10.776 -22.009 -0.353 102 HG22 THR 434 HG22 THR 434 -12.009 -20.757 -0.496 103 HG23 THR 434 HG23 THR 434 -11.802 -21.617 1.026 104 H GLN 435 HN GLN 435 -11.314 -17.825 3.712 105 HA GLN 435 HA GLN 435 -10.100 -16.799 5.323 106 HB2 GLN 435 HB2 GLN 435 -7.966 -18.791 4.537 107 HB3 GLN 435 HB1 GLN 435 -7.876 -17.728 5.935 108 HG2 GLN 435 HG2 GLN 435 -9.885 -18.772 6.854 109 HG3 GLN 435 HG1 GLN 435 -9.954 -19.851 5.462 110 HE21 GLN 435 HE21 GLN 435 -9.313 -21.803 5.982 111 HE22 GLN 435 HE22 GLN 435 -8.011 -22.200 7.057 112 H THR 436 HN THR 436 -6.963 -16.804 4.728 113 HA THR 436 HA THR 436 -6.922 -14.166 3.686 114 HB THR 436 HB THR 436 -4.386 -14.684 3.520 115 HG1 THR 436 HG1 THR 436 -4.163 -16.821 3.642 116 HG21 THR 436 HG21 THR 436 -5.749 -14.916 6.203 117 HG22 THR 436 HG22 THR 436 -5.473 -13.405 5.342 118 HG23 THR 436 HG23 THR 436 -4.103 -14.361 5.904 119 H ALA 437 HN ALA 437 -7.802 -14.065 1.647 120 HA ALA 437 HA ALA 437 -7.120 -15.892 -0.430 121 HB1 ALA 437 HB1 ALA 437 -9.222 -14.970 -0.694 122 HB2 ALA 437 HB2 ALA 437 -8.262 -14.052 -1.855 123 HB3 ALA 437 HB3 ALA 437 -8.673 -13.341 -0.294 124 H GLY 438 HN GLY 438 -5.652 -15.739 -2.041 125 HA2 GLY 438 HA2 GLY 438 -3.841 -14.997 -3.230 126 HA3 GLY 438 HA1 GLY 438 -4.383 -13.363 -2.883 127 H ALA 439 HN ALA 439 -2.870 -12.205 -1.986 128 HA ALA 439 HA ALA 439 -1.521 -13.111 0.383 129 HB1 ALA 439 HB1 ALA 439 0.715 -13.011 -0.387 130 HB2 ALA 439 HB2 ALA 439 0.224 -12.353 -1.950 131 HB3 ALA 439 HB3 ALA 439 -0.156 -14.024 -1.537 132 H ASP 440 HN ASP 440 0.598 -10.984 -0.474 133 HA ASP 440 HA ASP 440 1.026 -8.879 0.217 134 HB2 ASP 440 HB2 ASP 440 -0.136 -7.130 -1.047 135 HB3 ASP 440 HB1 ASP 440 0.351 -8.471 -2.069 136 H THR 441 HN THR 441 -0.528 -10.244 2.136 137 HA THR 441 HA THR 441 -2.328 -8.180 3.150 138 HB THR 441 HB THR 441 -3.080 -10.534 3.290 139 HG1 THR 441 HG1 THR 441 -2.644 -9.569 5.930 140 HG21 THR 441 HG21 THR 441 -0.582 -10.823 4.900 141 HG22 THR 441 HG22 THR 441 -1.270 -11.904 3.688 142 HG23 THR 441 HG23 THR 441 -1.989 -11.810 5.296 143 H THR 442 HN THR 442 -1.748 -6.770 4.639 144 HA THR 442 HA THR 442 0.269 -7.195 6.600 145 HB THR 442 HB THR 442 1.761 -6.951 4.684 146 HG1 THR 442 HG1 THR 442 3.096 -5.658 5.739 147 HG21 THR 442 HG21 THR 442 -0.032 -5.387 3.506 148 HG22 THR 442 HG22 THR 442 1.682 -5.313 3.099 149 HG23 THR 442 HG23 THR 442 0.987 -4.123 4.199 150 H ALA 443 HN ALA 443 0.952 -4.285 6.654 151 HA ALA 443 HA ALA 443 -1.242 -3.427 8.223 152 HB1 ALA 443 HB1 ALA 443 -0.017 -1.211 8.212 153 HB2 ALA 443 HB2 ALA 443 1.190 -1.990 7.190 154 HB3 ALA 443 HB3 ALA 443 0.888 -2.596 8.820 155 H GLU 444 HN GLU 444 0.007 -2.253 5.098 156 HA GLU 444 HA GLU 444 -2.597 -1.943 4.029 157 HB2 GLU 444 HB2 GLU 444 -2.550 0.541 3.764 158 HB3 GLU 444 HB1 GLU 444 -2.803 -0.022 5.408 159 HG2 GLU 444 HG2 GLU 444 -0.349 0.354 5.798 160 HG3 GLU 444 HG1 GLU 444 -0.306 1.152 4.225 161 H LYS 445 HN LYS 445 -0.444 -3.276 3.087 162 HA LYS 445 HA LYS 445 0.604 -3.736 1.157 163 HB2 LYS 445 HB2 LYS 445 -1.326 -1.676 0.358 164 HB3 LYS 445 HB1 LYS 445 0.081 -1.782 -0.690 165 HG2 LYS 445 HG2 LYS 445 -1.703 -3.177 -1.529 166 HG3 LYS 445 HG1 LYS 445 -0.342 -4.170 -1.009 167 HD2 LYS 445 HD2 LYS 445 -2.288 -5.256 -0.223 168 HD3 LYS 445 HD1 LYS 445 -1.564 -4.471 1.181 169 HE2 LYS 445 HE2 LYS 445 -3.937 -4.110 1.230 170 HE3 LYS 445 HE1 LYS 445 -3.134 -2.581 0.876 171 HZ1 LYS 445 HZ1 LYS 445 -5.193 -3.534 -0.518 172 HZ2 LYS 445 HZ2 LYS 445 -3.910 -4.152 -1.442 173 HZ3 LYS 445 HZ3 LYS 445 -4.032 -2.481 -1.166 174 H CYS 446 HN CYS 446 1.698 -2.085 3.220 175 HA CYS 446 HA CYS 446 3.677 -1.133 3.716 176 HB2 CYS 446 HB2 CYS 446 4.284 -1.750 0.831 177 HB3 CYS 446 HB1 CYS 446 5.449 -1.297 2.050 178 H LYS 447 HN LYS 447 1.432 0.322 2.421 179 HA LYS 447 HA LYS 447 2.607 2.449 0.937 180 HB2 LYS 447 HB2 LYS 447 0.188 1.461 0.876 181 HB3 LYS 447 HB1 LYS 447 -0.105 2.590 2.192 182 HG2 LYS 447 HG2 LYS 447 -0.779 3.606 0.164 183 HG3 LYS 447 HG1 LYS 447 0.682 4.413 0.726 184 HD2 LYS 447 HD2 LYS 447 1.020 4.141 -1.579 185 HD3 LYS 447 HD1 LYS 447 1.946 2.833 -0.851 186 HE2 LYS 447 HE2 LYS 447 -0.843 2.544 -1.962 187 HE3 LYS 447 HE1 LYS 447 0.628 2.151 -2.847 188 HZ1 LYS 447 HZ1 LYS 447 -0.670 0.725 -0.654 189 HZ2 LYS 447 HZ2 LYS 447 1.027 0.692 -0.697 190 HZ3 LYS 447 HZ3 LYS 447 0.139 0.117 -2.018 191 H GLY 448 HN GLY 448 3.282 4.380 1.607 192 HA2 GLY 448 HA2 GLY 448 3.596 6.211 2.986 193 HA3 GLY 448 HA1 GLY 448 2.526 5.478 4.171 194 H LYS 449 HN LYS 449 5.330 3.862 2.788 195 HA LYS 449 HA LYS 449 6.633 4.091 5.411 196 HB2 LYS 449 HB2 LYS 449 6.708 1.841 3.404 197 HB3 LYS 449 HB1 LYS 449 7.827 1.963 4.758 198 HG2 LYS 449 HG2 LYS 449 5.924 1.943 6.301 199 HG3 LYS 449 HG1 LYS 449 4.835 1.748 4.927 200 HD2 LYS 449 HD2 LYS 449 5.254 -0.385 5.981 201 HD3 LYS 449 HD1 LYS 449 5.961 -0.365 4.368 202 HE2 LYS 449 HE2 LYS 449 8.150 0.002 5.283 203 HE3 LYS 449 HE1 LYS 449 7.485 0.185 6.904 204 HZ1 LYS 449 HZ1 LYS 449 8.012 -2.226 5.379 205 HZ2 LYS 449 HZ2 LYS 449 6.565 -2.225 6.264 206 HZ3 LYS 449 HZ3 LYS 449 8.043 -1.966 7.056 207 H GLY 450 HN GLY 450 8.765 4.602 5.488 208 HA2 GLY 450 HA2 GLY 450 9.793 6.162 3.316 209 HA3 GLY 450 HA1 GLY 450 10.637 5.776 4.811 210 H GLU 451 HN GLU 451 11.958 5.816 2.374 211 HA GLU 451 HA GLU 451 12.131 3.440 0.960 212 HB2 GLU 451 HB2 GLU 451 13.251 5.509 0.283 213 HB3 GLU 451 HB1 GLU 451 14.356 5.369 1.640 214 HG2 GLU 451 HG2 GLU 451 15.021 3.120 0.606 215 HG3 GLU 451 HG1 GLU 451 14.203 3.707 -0.840 216 H LYS 452 HN LYS 452 13.718 4.350 3.985 217 HA LYS 452 HA LYS 452 15.304 1.970 4.106 218 HB2 LYS 452 HB2 LYS 452 14.698 4.167 6.064 219 HB3 LYS 452 HB1 LYS 452 15.586 2.734 6.560 220 HG2 LYS 452 HG2 LYS 452 17.160 4.441 6.031 221 HG3 LYS 452 HG1 LYS 452 17.241 3.215 4.765 222 HD2 LYS 452 HD2 LYS 452 15.727 4.650 3.388 223 HD3 LYS 452 HD1 LYS 452 15.872 5.899 4.626 224 HE2 LYS 452 HE2 LYS 452 18.315 5.907 4.284 225 HE3 LYS 452 HE1 LYS 452 18.117 4.725 2.990 226 HZ1 LYS 452 HZ1 LYS 452 17.036 6.268 1.644 227 HZ2 LYS 452 HZ2 LYS 452 18.290 7.170 2.352 228 HZ3 LYS 452 HZ3 LYS 452 16.706 7.320 2.934 229 H ASP 453 HN ASP 453 12.177 2.935 5.343 230 HA ASP 453 HA ASP 453 11.827 0.668 7.059 231 HB2 ASP 453 HB2 ASP 453 9.778 2.543 5.848 232 HB3 ASP 453 HB1 ASP 453 9.448 1.358 7.110 233 H CYS 454 HN CYS 454 10.773 1.552 3.808 234 HA CYS 454 HA CYS 454 9.340 -0.778 3.159 235 HB2 CYS 454 HB2 CYS 454 9.301 1.328 1.826 236 HB3 CYS 454 HB1 CYS 454 10.954 1.010 1.324 237 H LYS 455 HN LYS 455 10.008 -2.793 2.526 238 HA LYS 455 HA LYS 455 12.858 -3.175 1.906 239 HB2 LYS 455 HB2 LYS 455 11.141 -4.880 3.717 240 HB3 LYS 455 HB1 LYS 455 12.686 -5.411 3.066 241 HG2 LYS 455 HG2 LYS 455 12.284 -2.979 4.793 242 HG3 LYS 455 HG1 LYS 455 12.863 -4.547 5.360 243 HD2 LYS 455 HD2 LYS 455 14.832 -4.381 4.000 244 HD3 LYS 455 HD1 LYS 455 14.217 -2.930 3.207 245 HE2 LYS 455 HE2 LYS 455 15.933 -2.461 4.932 246 HE3 LYS 455 HE1 LYS 455 14.386 -1.672 5.238 247 HZ1 LYS 455 HZ1 LYS 455 15.753 -3.122 7.040 248 HZ2 LYS 455 HZ2 LYS 455 14.656 -4.278 6.456 249 HZ3 LYS 455 HZ3 LYS 455 14.085 -2.822 7.112 250 H SER 456 HN SER 456 13.265 -4.402 0.164 251 HA SER 456 HA SER 456 11.356 -4.681 -1.782 252 HG SER 456 HG SER 456 14.946 -4.559 -1.807 253 HB2 SER 456 HB2 SER 456 13.871 -6.344 -1.619 254 HB3 SER 456 HB1 SER 456 13.013 -5.840 -3.074 255 HA PRO 457 HA PRO 457 11.039 -9.499 -0.947 256 HB2 PRO 457 HB2 PRO 457 11.512 -9.524 1.980 257 HB3 PRO 457 HB1 PRO 457 12.016 -10.687 0.748 258 HG2 PRO 457 HG2 PRO 457 13.778 -9.030 1.868 259 HG3 PRO 457 HG1 PRO 457 13.875 -9.444 0.145 260 HD2 PRO 457 HD2 PRO 457 12.840 -6.953 1.444 261 HD3 PRO 457 HD1 PRO 457 13.806 -7.134 -0.035 262 H ASP 458 HN ASP 458 10.243 -7.009 1.346 263 HA ASP 458 HA ASP 458 7.710 -8.166 2.113 264 HB2 ASP 458 HB2 ASP 458 9.108 -6.741 3.640 265 HB3 ASP 458 HB1 ASP 458 8.765 -5.368 2.594 266 H CYS 459 HN CYS 459 8.770 -5.260 0.332 267 HA CYS 459 HA CYS 459 6.575 -5.477 -1.526 268 HB2 CYS 459 HB2 CYS 459 6.734 -3.182 0.436 269 HB3 CYS 459 HB1 CYS 459 5.826 -3.095 -1.067 270 H LYS 460 HN LYS 460 6.777 -3.855 -3.275 271 HA LYS 460 HA LYS 460 9.607 -3.411 -3.804 272 HB2 LYS 460 HB2 LYS 460 7.991 -4.491 -5.455 273 HB3 LYS 460 HB1 LYS 460 7.319 -2.882 -5.695 274 HG2 LYS 460 HG2 LYS 460 9.565 -2.093 -6.365 275 HG3 LYS 460 HG1 LYS 460 10.151 -3.753 -6.228 276 HD2 LYS 460 HD2 LYS 460 8.354 -4.384 -7.886 277 HD3 LYS 460 HD1 LYS 460 8.105 -2.655 -8.143 278 HE2 LYS 460 HE2 LYS 460 10.640 -4.219 -8.614 279 HE3 LYS 460 HE1 LYS 460 9.587 -3.509 -9.837 280 HZ1 LYS 460 HZ1 LYS 460 10.115 -1.309 -8.647 281 HZ2 LYS 460 HZ2 LYS 460 11.306 -1.992 -9.643 282 HZ3 LYS 460 HZ3 LYS 460 11.418 -2.155 -7.959 283 H TRP 461 HN TRP 461 10.576 -1.474 -4.065 284 HA TRP 461 HA TRP 461 9.080 0.927 -3.312 285 HD1 TRP 461 HD1 TRP 461 12.710 3.087 -4.500 286 HE1 TRP 461 HE1 TRP 461 12.379 5.378 -3.364 287 HE3 TRP 461 HE3 TRP 461 9.489 1.689 -0.798 288 HZ2 TRP 461 HZ2 TRP 461 10.950 6.419 -1.158 289 HZ3 TRP 461 HZ3 TRP 461 8.706 3.381 0.786 290 HH2 TRP 461 HH2 TRP 461 9.415 5.706 0.609 291 HB2 TRP 461 HB2 TRP 461 11.359 0.398 -2.334 292 HB3 TRP 461 HB1 TRP 461 12.032 0.659 -3.940 293 H GLU 462 HN GLU 462 8.158 2.105 -4.895 294 HA GLU 462 HA GLU 462 9.469 2.085 -7.540 295 HB2 GLU 462 HB2 GLU 462 6.535 2.217 -6.859 296 HB3 GLU 462 HB1 GLU 462 7.169 2.594 -8.454 297 HG2 GLU 462 HG2 GLU 462 7.519 -0.046 -7.054 298 HG3 GLU 462 HG1 GLU 462 6.279 0.301 -8.256 299 H GLY 463 HN GLY 463 10.384 3.948 -7.988 300 HA2 GLY 463 HA2 GLY 463 10.736 6.192 -8.276 301 HA3 GLY 463 HA1 GLY 463 9.019 6.415 -7.999 302 H GLY 464 HN GLY 464 8.403 6.154 -5.614 303 HA2 GLY 464 HA2 GLY 464 10.328 6.765 -3.611 304 HA3 GLY 464 HA1 GLY 464 9.467 8.217 -4.116 305 H THR 465 HN THR 465 8.214 4.942 -3.984 306 HA THR 465 HA THR 465 6.746 5.393 -1.556 307 HB THR 465 HB THR 465 5.408 6.658 -3.242 308 HG1 THR 465 HG1 THR 465 3.804 6.104 -2.019 309 HG21 THR 465 HG21 THR 465 4.042 5.239 -4.837 310 HG22 THR 465 HG22 THR 465 5.206 3.948 -4.534 311 HG23 THR 465 HG23 THR 465 5.740 5.467 -5.255 312 H CYS 466 HN CYS 466 6.062 3.499 -0.665 313 HA CYS 466 HA CYS 466 7.112 1.100 -1.933 314 HB2 CYS 466 HB2 CYS 466 7.651 1.850 0.450 315 HB3 CYS 466 HB1 CYS 466 6.011 1.375 0.867 316 H LYS 467 HN LYS 467 5.903 -0.678 -2.487 317 HA LYS 467 HA LYS 467 3.098 -0.843 -1.769 318 HB2 LYS 467 HB2 LYS 467 2.352 -0.956 -4.135 319 HB3 LYS 467 HB1 LYS 467 2.925 0.637 -3.659 320 HG2 LYS 467 HG2 LYS 467 5.012 -1.045 -4.808 321 HG3 LYS 467 HG1 LYS 467 3.670 -0.728 -5.909 322 HD2 LYS 467 HD2 LYS 467 5.162 1.395 -4.379 323 HD3 LYS 467 HD1 LYS 467 5.502 0.942 -6.051 324 HE2 LYS 467 HE2 LYS 467 2.864 1.983 -5.025 325 HE3 LYS 467 HE1 LYS 467 4.070 2.941 -5.879 326 HZ1 LYS 467 HZ1 LYS 467 3.616 1.934 -7.858 327 HZ2 LYS 467 HZ2 LYS 467 2.079 1.867 -7.149 328 HZ3 LYS 467 HZ3 LYS 467 3.070 0.489 -7.152 329 H ASP 468 HN ASP 468 2.150 -2.833 -2.262 330 HA ASP 468 HA ASP 468 3.746 -5.076 -1.933 331 HB2 ASP 468 HB2 ASP 468 1.760 -6.388 -2.390 332 HB3 ASP 468 HB1 ASP 468 1.318 -4.973 -1.439 Start of MODEL 9 1 H1 GLY 421 HT1 GLY 421 -37.010 10.518 -9.652 2 H2 GLY 421 HT2 GLY 421 -38.085 9.294 -9.195 3 H3 GLY 421 HT3 GLY 421 -36.973 9.908 -8.069 4 HA2 GLY 421 HA1 GLY 421 -38.058 12.080 -8.162 5 HA3 GLY 421 HA2 GLY 421 -39.228 11.408 -9.289 6 H THR 422 HN THR 422 -39.593 8.893 -8.085 7 HA THR 422 HA THR 422 -40.479 9.411 -5.359 8 HB THR 422 HB THR 422 -42.348 10.152 -6.821 9 HG1 THR 422 HG1 THR 422 -43.108 9.417 -4.909 10 HG21 THR 422 HG21 THR 422 -42.250 8.891 -8.764 11 HG22 THR 422 HG22 THR 422 -43.630 8.185 -7.924 12 HG23 THR 422 HG23 THR 422 -42.067 7.371 -7.891 13 H LYS 423 HN LYS 423 -41.893 7.198 -4.827 14 HA LYS 423 HA LYS 423 -41.834 4.970 -4.425 15 HB2 LYS 423 HB2 LYS 423 -41.769 4.647 -6.863 16 HB3 LYS 423 HB1 LYS 423 -40.019 4.806 -6.842 17 HG2 LYS 423 HG2 LYS 423 -39.854 2.789 -5.473 18 HG3 LYS 423 HG1 LYS 423 -41.611 2.632 -5.497 19 HD2 LYS 423 HD2 LYS 423 -40.586 1.156 -7.145 20 HD3 LYS 423 HD1 LYS 423 -41.559 2.401 -7.935 21 HE2 LYS 423 HE2 LYS 423 -39.440 2.071 -9.100 22 HE3 LYS 423 HE1 LYS 423 -39.529 3.688 -8.405 23 HZ1 LYS 423 HZ1 LYS 423 -37.843 3.271 -7.007 24 HZ2 LYS 423 HZ2 LYS 423 -37.444 2.051 -8.119 25 HZ3 LYS 423 HZ3 LYS 423 -38.317 1.665 -6.717 26 H ALA 424 HN ALA 424 -40.676 3.641 -3.109 27 HA ALA 424 HA ALA 424 -38.574 4.732 -1.661 28 HB1 ALA 424 HB1 ALA 424 -39.006 3.041 -0.287 29 HB2 ALA 424 HB2 ALA 424 -38.588 1.848 -1.514 30 HB3 ALA 424 HB3 ALA 424 -40.222 2.508 -1.449 31 H SER 425 HN SER 425 -36.399 4.493 -1.659 32 HA SER 425 HA SER 425 -35.078 4.104 -4.080 33 HG SER 425 HG SER 425 -35.178 5.907 -1.964 34 HB2 SER 425 HB2 SER 425 -33.896 3.964 -1.293 35 HB3 SER 425 HB1 SER 425 -33.011 4.284 -2.785 36 H LYS 426 HN LYS 426 -34.321 2.402 -5.102 37 HA LYS 426 HA LYS 426 -33.371 0.008 -3.942 38 HB2 LYS 426 HB2 LYS 426 -35.806 -0.274 -3.444 39 HB3 LYS 426 HB1 LYS 426 -36.141 -0.173 -5.166 40 HG2 LYS 426 HG2 LYS 426 -34.265 -2.261 -4.141 41 HG3 LYS 426 HG1 LYS 426 -36.006 -2.484 -3.984 42 HD2 LYS 426 HD2 LYS 426 -36.270 -2.221 -6.396 43 HD3 LYS 426 HD1 LYS 426 -34.532 -1.959 -6.565 44 HE2 LYS 426 HE2 LYS 426 -34.126 -4.211 -5.661 45 HE3 LYS 426 HE1 LYS 426 -35.865 -4.466 -5.550 46 HZ1 LYS 426 HZ1 LYS 426 -34.325 -5.108 -7.675 47 HZ2 LYS 426 HZ2 LYS 426 -34.988 -3.626 -8.161 48 HZ3 LYS 426 HZ3 LYS 426 -36.008 -4.907 -7.718 49 H SER 427 HN SER 427 -35.079 1.374 -6.725 50 HA SER 427 HA SER 427 -33.929 -0.279 -8.680 51 HG SER 427 HG SER 427 -36.517 0.194 -9.399 52 HB2 SER 427 HB2 SER 427 -34.984 2.533 -9.049 53 HB3 SER 427 HB1 SER 427 -34.857 1.278 -10.282 54 H GLY 428 HN GLY 428 -32.909 2.797 -7.294 55 HA2 GLY 428 HA2 GLY 428 -30.749 3.695 -7.315 56 HA3 GLY 428 HA1 GLY 428 -30.266 2.451 -8.464 57 H VAL 429 HN VAL 429 -29.588 3.395 -10.273 58 HA VAL 429 HA VAL 429 -31.407 5.159 -11.681 59 HB VAL 429 HB VAL 429 -30.176 6.801 -10.401 60 HG11 VAL 429 HG11 VAL 429 -28.112 6.375 -9.710 61 HG12 VAL 429 HG12 VAL 429 -27.545 6.668 -11.355 62 HG13 VAL 429 HG13 VAL 429 -27.963 5.032 -10.844 63 HG21 VAL 429 HG21 VAL 429 -30.602 7.780 -12.415 64 HG22 VAL 429 HG22 VAL 429 -29.656 6.596 -13.317 65 HG23 VAL 429 HG23 VAL 429 -28.841 7.869 -12.407 66 HA PRO 430 HA PRO 430 -29.779 2.517 -14.863 67 HB2 PRO 430 HB2 PRO 430 -30.950 3.810 -16.978 68 HB3 PRO 430 HB1 PRO 430 -31.790 2.654 -15.938 69 HG2 PRO 430 HG2 PRO 430 -31.831 5.643 -15.868 70 HG3 PRO 430 HG1 PRO 430 -33.163 4.497 -15.634 71 HD2 PRO 430 HD2 PRO 430 -31.948 5.734 -13.565 72 HD3 PRO 430 HD1 PRO 430 -32.588 4.082 -13.439 73 H VAL 431 HN VAL 431 -29.712 6.025 -15.194 74 HA VAL 431 HA VAL 431 -27.588 6.139 -17.090 75 HB VAL 431 HB VAL 431 -28.446 8.265 -15.114 76 HG11 VAL 431 HG11 VAL 431 -27.242 9.802 -16.321 77 HG12 VAL 431 HG12 VAL 431 -27.281 8.839 -17.797 78 HG13 VAL 431 HG13 VAL 431 -26.208 8.382 -16.475 79 HG21 VAL 431 HG21 VAL 431 -29.967 7.128 -17.148 80 HG22 VAL 431 HG22 VAL 431 -29.375 8.648 -17.816 81 HG23 VAL 431 HG23 VAL 431 -30.283 8.642 -16.303 82 H THR 432 HN THR 432 -25.460 6.021 -16.766 83 HA THR 432 HA THR 432 -24.366 5.026 -14.403 84 HB THR 432 HB THR 432 -22.793 6.550 -16.479 85 HG1 THR 432 HG1 THR 432 -23.880 3.904 -16.605 86 HG21 THR 432 HG21 THR 432 -21.323 4.396 -15.914 87 HG22 THR 432 HG22 THR 432 -22.205 4.523 -14.393 88 HG23 THR 432 HG23 THR 432 -21.232 5.878 -14.963 89 H GLN 433 HN GLN 433 -23.870 5.990 -12.536 90 HA GLN 433 HA GLN 433 -22.889 8.723 -12.480 91 HB2 GLN 433 HB2 GLN 433 -25.299 9.074 -12.499 92 HB3 GLN 433 HB1 GLN 433 -25.502 7.940 -11.171 93 HG2 GLN 433 HG2 GLN 433 -24.030 9.489 -9.814 94 HG3 GLN 433 HG1 GLN 433 -24.235 10.656 -11.116 95 HE21 GLN 433 HE21 GLN 433 -27.033 9.091 -11.223 96 HE22 GLN 433 HE22 GLN 433 -27.973 10.015 -10.097 97 H THR 434 HN THR 434 -24.290 6.229 -10.345 98 HA THR 434 HA THR 434 -22.452 6.945 -8.250 99 HB THR 434 HB THR 434 -23.659 4.886 -7.159 100 HG1 THR 434 HG1 THR 434 -25.711 4.523 -8.137 101 HG21 THR 434 HG21 THR 434 -24.431 7.673 -7.558 102 HG22 THR 434 HG22 THR 434 -24.423 6.704 -6.084 103 HG23 THR 434 HG23 THR 434 -25.800 6.627 -7.182 104 H GLN 435 HN GLN 435 -23.285 3.758 -9.579 105 HA GLN 435 HA GLN 435 -22.081 1.921 -10.106 106 HB2 GLN 435 HB2 GLN 435 -19.785 3.871 -10.234 107 HB3 GLN 435 HB1 GLN 435 -19.665 2.181 -10.703 108 HG2 GLN 435 HG2 GLN 435 -21.523 4.200 -11.943 109 HG3 GLN 435 HG1 GLN 435 -19.973 3.691 -12.615 110 HE21 GLN 435 HE21 GLN 435 -23.243 3.194 -12.674 111 HE22 GLN 435 HE22 GLN 435 -23.272 1.625 -13.413 112 H THR 436 HN THR 436 -19.888 3.805 -8.018 113 HA THR 436 HA THR 436 -18.663 3.258 -6.200 114 HB THR 436 HB THR 436 -19.859 2.252 -4.321 115 HG1 THR 436 HG1 THR 436 -21.516 1.318 -6.371 116 HG21 THR 436 HG21 THR 436 -21.042 4.378 -5.983 117 HG22 THR 436 HG22 THR 436 -20.524 4.407 -4.297 118 HG23 THR 436 HG23 THR 436 -22.085 3.709 -4.729 119 H ALA 437 HN ALA 437 -19.279 0.526 -4.771 120 HA ALA 437 HA ALA 437 -18.400 -1.553 -4.693 121 HB1 ALA 437 HB1 ALA 437 -19.467 -2.504 -6.420 122 HB2 ALA 437 HB2 ALA 437 -17.877 -2.464 -7.182 123 HB3 ALA 437 HB3 ALA 437 -19.053 -1.198 -7.528 124 H GLY 438 HN GLY 438 -16.438 -2.804 -4.940 125 HA2 GLY 438 HA2 GLY 438 -14.153 -1.864 -6.283 126 HA3 GLY 438 HA1 GLY 438 -14.141 -1.223 -4.647 127 H ALA 439 HN ALA 439 -12.604 -3.348 -6.271 128 HA ALA 439 HA ALA 439 -12.806 -5.530 -4.300 129 HB1 ALA 439 HB1 ALA 439 -11.840 -6.990 -5.886 130 HB2 ALA 439 HB2 ALA 439 -11.327 -5.654 -6.918 131 HB3 ALA 439 HB3 ALA 439 -13.038 -6.055 -6.779 132 H ASP 440 HN ASP 440 -11.690 -3.239 -3.427 133 HA ASP 440 HA ASP 440 -9.921 -2.486 -2.226 134 HB2 ASP 440 HB2 ASP 440 -9.337 -4.785 -1.660 135 HB3 ASP 440 HB1 ASP 440 -8.491 -4.967 -3.196 136 H THR 441 HN THR 441 -8.955 -0.719 -2.877 137 HA THR 441 HA THR 441 -8.062 -0.399 -5.583 138 HB THR 441 HB THR 441 -7.536 1.480 -3.275 139 HG1 THR 441 HG1 THR 441 -9.885 0.945 -4.741 140 HG21 THR 441 HG21 THR 441 -7.248 3.157 -4.889 141 HG22 THR 441 HG22 THR 441 -8.029 2.205 -6.151 142 HG23 THR 441 HG23 THR 441 -6.418 1.764 -5.583 143 H THR 442 HN THR 442 -6.415 -0.234 -2.425 144 HA THR 442 HA THR 442 -4.180 -1.746 -3.358 145 HB THR 442 HB THR 442 -3.606 1.142 -2.645 146 HG1 THR 442 HG1 THR 442 -4.173 -0.037 -5.078 147 HG21 THR 442 HG21 THR 442 -1.722 -0.839 -3.890 148 HG22 THR 442 HG22 THR 442 -1.912 -0.715 -2.141 149 HG23 THR 442 HG23 THR 442 -1.346 0.676 -3.067 150 H ALA 443 HN ALA 443 -3.864 -2.991 -1.604 151 HA ALA 443 HA ALA 443 -4.480 -2.051 1.042 152 HB1 ALA 443 HB1 ALA 443 -3.415 -4.629 -0.052 153 HB2 ALA 443 HB2 ALA 443 -4.953 -4.320 0.755 154 HB3 ALA 443 HB3 ALA 443 -3.452 -4.313 1.683 155 H GLU 444 HN GLU 444 -3.113 -1.096 2.409 156 HA GLU 444 HA GLU 444 -0.479 -0.472 1.505 157 HB2 GLU 444 HB2 GLU 444 -1.968 0.221 4.034 158 HB3 GLU 444 HB1 GLU 444 -0.353 0.812 3.657 159 HG2 GLU 444 HG2 GLU 444 -1.114 2.059 1.820 160 HG3 GLU 444 HG1 GLU 444 -2.663 1.221 1.791 161 H LYS 445 HN LYS 445 0.066 -2.837 1.458 162 HA LYS 445 HA LYS 445 0.690 -4.238 3.866 163 HB2 LYS 445 HB2 LYS 445 1.879 -4.593 1.103 164 HB3 LYS 445 HB1 LYS 445 1.912 -5.766 2.411 165 HG2 LYS 445 HG2 LYS 445 -0.450 -6.112 2.247 166 HG3 LYS 445 HG1 LYS 445 -0.608 -4.785 1.094 167 HD2 LYS 445 HD2 LYS 445 -0.659 -6.940 -0.048 168 HD3 LYS 445 HD1 LYS 445 0.769 -6.016 -0.511 169 HE2 LYS 445 HE2 LYS 445 2.097 -7.309 1.118 170 HE3 LYS 445 HE1 LYS 445 0.668 -8.273 1.486 171 HZ1 LYS 445 HZ1 LYS 445 1.706 -8.046 -1.278 172 HZ2 LYS 445 HZ2 LYS 445 0.676 -9.227 -0.627 173 HZ3 LYS 445 HZ3 LYS 445 2.318 -9.202 -0.192 174 H CYS 446 HN CYS 446 2.054 -1.675 2.220 175 HA CYS 446 HA CYS 446 4.353 -1.447 3.897 176 HB2 CYS 446 HB2 CYS 446 5.997 -1.603 2.045 177 HB3 CYS 446 HB1 CYS 446 5.192 -3.131 2.355 178 H LYS 447 HN LYS 447 2.492 -0.572 1.129 179 HA LYS 447 HA LYS 447 3.410 1.797 0.248 180 HB2 LYS 447 HB2 LYS 447 1.448 0.752 -0.680 181 HB3 LYS 447 HB1 LYS 447 0.552 0.999 0.812 182 HG2 LYS 447 HG2 LYS 447 0.575 3.398 0.454 183 HG3 LYS 447 HG1 LYS 447 1.535 3.180 -1.013 184 HD2 LYS 447 HD2 LYS 447 -0.261 1.933 -2.046 185 HD3 LYS 447 HD1 LYS 447 -1.211 2.021 -0.561 186 HE2 LYS 447 HE2 LYS 447 -0.311 4.421 -2.143 187 HE3 LYS 447 HE1 LYS 447 -1.886 3.652 -2.329 188 HZ1 LYS 447 HZ1 LYS 447 -2.079 5.514 -0.866 189 HZ2 LYS 447 HZ2 LYS 447 -0.822 4.955 0.121 190 HZ3 LYS 447 HZ3 LYS 447 -2.292 4.105 0.044 191 H GLY 448 HN GLY 448 3.997 3.635 1.159 192 HA2 GLY 448 HA2 GLY 448 3.203 5.605 2.425 193 HA3 GLY 448 HA1 GLY 448 2.614 4.471 3.634 194 H LYS 449 HN LYS 449 4.953 2.751 3.456 195 HA LYS 449 HA LYS 449 6.525 3.903 5.471 196 HB2 LYS 449 HB2 LYS 449 7.039 1.567 3.635 197 HB3 LYS 449 HB1 LYS 449 8.120 2.011 4.950 198 HG2 LYS 449 HG2 LYS 449 6.515 1.519 6.580 199 HG3 LYS 449 HG1 LYS 449 5.208 1.471 5.396 200 HD2 LYS 449 HD2 LYS 449 5.612 -0.766 5.835 201 HD3 LYS 449 HD1 LYS 449 6.522 -0.486 4.356 202 HE2 LYS 449 HE2 LYS 449 7.890 -1.772 5.818 203 HE3 LYS 449 HE1 LYS 449 8.547 -0.134 5.775 204 HZ1 LYS 449 HZ1 LYS 449 8.114 -1.444 8.026 205 HZ2 LYS 449 HZ2 LYS 449 6.597 -0.708 7.864 206 HZ3 LYS 449 HZ3 LYS 449 7.999 0.248 7.919 207 H GLY 450 HN GLY 450 8.697 4.519 5.487 208 HA2 GLY 450 HA2 GLY 450 9.434 6.241 3.297 209 HA3 GLY 450 HA1 GLY 450 10.363 5.962 4.762 210 H GLU 451 HN GLU 451 11.657 6.180 2.361 211 HA GLU 451 HA GLU 451 11.999 3.910 0.834 212 HB2 GLU 451 HB2 GLU 451 12.944 6.107 0.266 213 HB3 GLU 451 HB1 GLU 451 14.123 5.932 1.560 214 HG2 GLU 451 HG2 GLU 451 15.078 3.991 0.440 215 HG3 GLU 451 HG1 GLU 451 13.891 4.146 -0.853 216 H LYS 452 HN LYS 452 13.953 4.849 3.675 217 HA LYS 452 HA LYS 452 15.596 2.597 3.626 218 HB2 LYS 452 HB2 LYS 452 15.620 4.877 5.028 219 HB3 LYS 452 HB1 LYS 452 14.939 3.811 6.253 220 HG2 LYS 452 HG2 LYS 452 16.855 2.280 5.901 221 HG3 LYS 452 HG1 LYS 452 17.534 3.482 4.802 222 HD2 LYS 452 HD2 LYS 452 17.624 5.109 6.609 223 HD3 LYS 452 HD1 LYS 452 16.897 3.940 7.713 224 HE2 LYS 452 HE2 LYS 452 19.538 3.592 6.300 225 HE3 LYS 452 HE1 LYS 452 19.343 4.095 7.977 226 HZ1 LYS 452 HZ1 LYS 452 17.901 1.811 7.868 227 HZ2 LYS 452 HZ2 LYS 452 19.498 1.930 8.417 228 HZ3 LYS 452 HZ3 LYS 452 19.184 1.464 6.815 229 H ASP 453 HN ASP 453 12.576 3.234 5.333 230 HA ASP 453 HA ASP 453 12.526 0.813 6.797 231 HB2 ASP 453 HB2 ASP 453 11.176 2.946 7.204 232 HB3 ASP 453 HB1 ASP 453 10.094 2.375 5.938 233 H CYS 454 HN CYS 454 11.109 1.791 3.717 234 HA CYS 454 HA CYS 454 9.680 -0.554 3.109 235 HB2 CYS 454 HB2 CYS 454 9.620 1.720 1.916 236 HB3 CYS 454 HB1 CYS 454 11.081 1.198 1.087 237 H LYS 455 HN LYS 455 10.581 -2.485 3.200 238 HA LYS 455 HA LYS 455 12.493 -3.317 1.306 239 HB2 LYS 455 HB2 LYS 455 13.400 -3.224 4.182 240 HB3 LYS 455 HB1 LYS 455 14.053 -4.378 3.029 241 HG2 LYS 455 HG2 LYS 455 14.200 -1.378 2.768 242 HG3 LYS 455 HG1 LYS 455 15.506 -2.427 3.327 243 HD2 LYS 455 HD2 LYS 455 15.639 -3.509 1.195 244 HD3 LYS 455 HD1 LYS 455 14.183 -2.690 0.629 245 HE2 LYS 455 HE2 LYS 455 16.754 -1.317 1.388 246 HE3 LYS 455 HE1 LYS 455 16.264 -1.701 -0.262 247 HZ1 LYS 455 HZ1 LYS 455 14.201 -0.306 1.102 248 HZ2 LYS 455 HZ2 LYS 455 15.009 0.109 -0.332 249 HZ3 LYS 455 HZ3 LYS 455 15.651 0.573 1.167 250 H SER 456 HN SER 456 9.995 -3.940 1.782 251 HA SER 456 HA SER 456 9.777 -6.336 3.349 252 HG SER 456 HG SER 456 8.121 -4.944 4.138 253 HB2 SER 456 HB2 SER 456 7.904 -5.136 1.328 254 HB3 SER 456 HB1 SER 456 7.525 -6.499 2.390 255 HA PRO 457 HA PRO 457 11.447 -8.986 0.171 256 HB2 PRO 457 HB2 PRO 457 10.737 -11.348 1.251 257 HB3 PRO 457 HB1 PRO 457 12.039 -10.372 1.944 258 HG2 PRO 457 HG2 PRO 457 9.194 -10.637 2.831 259 HG3 PRO 457 HG1 PRO 457 10.671 -10.592 3.809 260 HD2 PRO 457 HD2 PRO 457 9.028 -8.436 3.425 261 HD3 PRO 457 HD1 PRO 457 10.762 -8.300 3.779 262 H ASP 458 HN ASP 458 8.773 -7.779 0.304 263 HA ASP 458 HA ASP 458 7.381 -9.455 -1.634 264 HB2 ASP 458 HB2 ASP 458 6.553 -10.020 0.699 265 HB3 ASP 458 HB1 ASP 458 5.984 -8.361 0.819 266 H CYS 459 HN CYS 459 8.017 -6.408 -0.018 267 HA CYS 459 HA CYS 459 6.214 -4.996 -1.853 268 HB2 CYS 459 HB2 CYS 459 6.429 -4.266 0.531 269 HB3 CYS 459 HB1 CYS 459 8.056 -3.710 0.200 270 H LYS 460 HN LYS 460 7.404 -2.752 -2.419 271 HA LYS 460 HA LYS 460 10.034 -3.111 -3.561 272 HB2 LYS 460 HB2 LYS 460 7.558 -3.268 -5.222 273 HB3 LYS 460 HB1 LYS 460 8.944 -2.419 -5.885 274 HG2 LYS 460 HG2 LYS 460 9.092 -5.239 -4.849 275 HG3 LYS 460 HG1 LYS 460 8.723 -4.838 -6.527 276 HD2 LYS 460 HD2 LYS 460 11.212 -3.981 -5.057 277 HD3 LYS 460 HD1 LYS 460 11.111 -5.363 -6.150 278 HE2 LYS 460 HE2 LYS 460 10.506 -2.510 -6.920 279 HE3 LYS 460 HE1 LYS 460 12.042 -3.322 -7.214 280 HZ1 LYS 460 HZ1 LYS 460 10.368 -3.265 -9.101 281 HZ2 LYS 460 HZ2 LYS 460 9.489 -4.426 -8.228 282 HZ3 LYS 460 HZ3 LYS 460 11.067 -4.767 -8.739 283 H TRP 461 HN TRP 461 11.024 -1.180 -3.820 284 HA TRP 461 HA TRP 461 9.492 1.231 -3.206 285 HD1 TRP 461 HD1 TRP 461 13.152 3.482 -4.278 286 HE1 TRP 461 HE1 TRP 461 12.645 5.772 -3.204 287 HE3 TRP 461 HE3 TRP 461 9.653 2.023 -0.858 288 HZ2 TRP 461 HZ2 TRP 461 10.970 6.802 -1.175 289 HZ3 TRP 461 HZ3 TRP 461 8.655 3.714 0.608 290 HH2 TRP 461 HH2 TRP 461 9.299 6.060 0.451 291 HB2 TRP 461 HB2 TRP 461 11.796 0.760 -2.219 292 HB3 TRP 461 HB1 TRP 461 12.446 1.047 -3.831 293 H GLU 462 HN GLU 462 8.635 2.421 -4.809 294 HA GLU 462 HA GLU 462 10.055 2.721 -7.318 295 HB2 GLU 462 HB2 GLU 462 8.720 0.587 -7.523 296 HB3 GLU 462 HB1 GLU 462 7.264 1.558 -7.347 297 HG2 GLU 462 HG2 GLU 462 7.929 2.843 -9.350 298 HG3 GLU 462 HG1 GLU 462 9.307 1.764 -9.546 299 H GLY 463 HN GLY 463 9.753 4.686 -8.109 300 HA2 GLY 463 HA2 GLY 463 8.858 6.770 -8.481 301 HA3 GLY 463 HA1 GLY 463 7.289 6.082 -8.087 302 H GLY 464 HN GLY 464 10.109 6.187 -5.991 303 HA2 GLY 464 HA2 GLY 464 10.466 7.179 -3.960 304 HA3 GLY 464 HA1 GLY 464 9.499 8.513 -4.568 305 H THR 465 HN THR 465 8.302 5.232 -4.161 306 HA THR 465 HA THR 465 7.072 5.815 -1.632 307 HB THR 465 HB THR 465 5.536 6.968 -3.208 308 HG1 THR 465 HG1 THR 465 4.891 5.675 -1.206 309 HG21 THR 465 HG21 THR 465 5.922 4.732 -4.820 310 HG22 THR 465 HG22 THR 465 4.778 6.044 -5.093 311 HG23 THR 465 HG23 THR 465 4.262 4.586 -4.248 312 H CYS 466 HN CYS 466 6.391 4.045 -0.573 313 HA CYS 466 HA CYS 466 7.373 1.501 -1.509 314 HB2 CYS 466 HB2 CYS 466 7.414 2.512 0.897 315 HB3 CYS 466 HB1 CYS 466 5.746 1.964 0.987 316 H LYS 467 HN LYS 467 6.058 -0.317 -2.049 317 HA LYS 467 HA LYS 467 3.300 -0.482 -1.776 318 HB2 LYS 467 HB2 LYS 467 2.443 0.115 -3.976 319 HB3 LYS 467 HB1 LYS 467 3.193 1.510 -3.219 320 HG2 LYS 467 HG2 LYS 467 5.190 1.184 -4.590 321 HG3 LYS 467 HG1 LYS 467 4.431 -0.215 -5.353 322 HD2 LYS 467 HD2 LYS 467 2.593 1.277 -6.118 323 HD3 LYS 467 HD1 LYS 467 3.496 2.649 -5.473 324 HE2 LYS 467 HE2 LYS 467 3.909 2.481 -7.838 325 HE3 LYS 467 HE1 LYS 467 5.380 2.054 -6.964 326 HZ1 LYS 467 HZ1 LYS 467 4.498 -0.343 -7.223 327 HZ2 LYS 467 HZ2 LYS 467 5.237 0.407 -8.553 328 HZ3 LYS 467 HZ3 LYS 467 3.544 0.303 -8.466 329 H ASP 468 HN ASP 468 2.600 -2.445 -2.373 330 HA ASP 468 HA ASP 468 4.484 -4.278 -3.608 331 HB2 ASP 468 HB2 ASP 468 3.161 -5.040 -1.687 332 HB3 ASP 468 HB1 ASP 468 1.672 -4.702 -2.561 Start of MODEL 10 1 H1 GLY 421 HT1 GLY 421 -12.650 -32.899 16.067 2 H2 GLY 421 HT2 GLY 421 -11.879 -34.265 16.708 3 H3 GLY 421 HT3 GLY 421 -13.493 -34.367 16.198 4 HA2 GLY 421 HA1 GLY 421 -11.776 -35.347 14.653 5 HA3 GLY 421 HA2 GLY 421 -12.932 -34.226 13.948 6 H THR 422 HN THR 422 -9.959 -35.031 13.482 7 HA THR 422 HA THR 422 -8.522 -32.598 13.884 8 HB THR 422 HB THR 422 -6.973 -33.820 12.097 9 HG1 THR 422 HG1 THR 422 -7.833 -35.675 11.536 10 HG21 THR 422 HG21 THR 422 -6.386 -33.381 14.432 11 HG22 THR 422 HG22 THR 422 -5.895 -35.006 13.951 12 HG23 THR 422 HG23 THR 422 -7.338 -34.777 14.938 13 H LYS 423 HN LYS 423 -8.365 -30.888 12.654 14 HA LYS 423 HA LYS 423 -8.500 -29.414 10.946 15 HB2 LYS 423 HB2 LYS 423 -7.400 -31.125 9.565 16 HB3 LYS 423 HB1 LYS 423 -8.973 -31.805 9.171 17 HG2 LYS 423 HG2 LYS 423 -9.575 -29.565 8.199 18 HG3 LYS 423 HG1 LYS 423 -7.878 -29.118 8.389 19 HD2 LYS 423 HD2 LYS 423 -7.248 -31.044 6.980 20 HD3 LYS 423 HD1 LYS 423 -8.958 -31.418 6.756 21 HE2 LYS 423 HE2 LYS 423 -7.545 -28.899 5.890 22 HE3 LYS 423 HE1 LYS 423 -8.096 -30.204 4.843 23 HZ1 LYS 423 HZ1 LYS 423 -10.047 -28.841 6.569 24 HZ2 LYS 423 HZ2 LYS 423 -10.279 -29.589 5.068 25 HZ3 LYS 423 HZ3 LYS 423 -9.524 -28.073 5.152 26 H ALA 424 HN ALA 424 -10.972 -31.939 10.451 27 HA ALA 424 HA ALA 424 -12.884 -29.931 9.601 28 HB1 ALA 424 HB1 ALA 424 -13.681 -32.760 10.039 29 HB2 ALA 424 HB2 ALA 424 -12.540 -32.405 8.741 30 HB3 ALA 424 HB3 ALA 424 -14.130 -31.643 8.752 31 H SER 425 HN SER 425 -15.247 -31.037 10.565 32 HA SER 425 HA SER 425 -16.718 -30.891 12.280 33 HG SER 425 HG SER 425 -16.899 -31.286 14.645 34 HB2 SER 425 HB2 SER 425 -15.185 -32.797 13.053 35 HB3 SER 425 HB1 SER 425 -14.443 -31.616 14.128 36 H LYS 426 HN LYS 426 -15.436 -28.507 11.489 37 HA LYS 426 HA LYS 426 -14.907 -27.046 13.960 38 HB2 LYS 426 HB2 LYS 426 -14.596 -26.344 11.050 39 HB3 LYS 426 HB1 LYS 426 -14.453 -25.138 12.320 40 HG2 LYS 426 HG2 LYS 426 -12.757 -27.606 12.030 41 HG3 LYS 426 HG1 LYS 426 -12.274 -25.955 11.635 42 HD2 LYS 426 HD2 LYS 426 -12.632 -25.316 13.987 43 HD3 LYS 426 HD1 LYS 426 -13.044 -26.989 14.361 44 HE2 LYS 426 HE2 LYS 426 -10.794 -27.669 13.582 45 HE3 LYS 426 HE1 LYS 426 -10.396 -25.966 13.347 46 HZ1 LYS 426 HZ1 LYS 426 -11.280 -27.080 15.950 47 HZ2 LYS 426 HZ2 LYS 426 -10.589 -25.559 15.653 48 HZ3 LYS 426 HZ3 LYS 426 -9.648 -26.964 15.500 49 H SER 427 HN SER 427 -16.136 -25.387 14.723 50 HA SER 427 HA SER 427 -18.319 -24.266 13.256 51 HG SER 427 HG SER 427 -20.865 -24.807 15.393 52 HB2 SER 427 HB2 SER 427 -19.216 -26.515 14.085 53 HB3 SER 427 HB1 SER 427 -19.084 -25.859 15.713 54 H GLY 428 HN GLY 428 -16.024 -23.251 14.412 55 HA2 GLY 428 HA2 GLY 428 -16.834 -21.027 15.794 56 HA3 GLY 428 HA1 GLY 428 -16.505 -22.229 17.036 57 H VAL 429 HN VAL 429 -15.148 -19.683 16.369 58 HA VAL 429 HA VAL 429 -13.031 -18.860 16.490 59 HB VAL 429 HB VAL 429 -12.166 -21.751 16.686 60 HG11 VAL 429 HG11 VAL 429 -10.066 -20.922 17.531 61 HG12 VAL 429 HG12 VAL 429 -10.627 -19.256 17.390 62 HG13 VAL 429 HG13 VAL 429 -10.372 -20.228 15.940 63 HG21 VAL 429 HG21 VAL 429 -12.239 -21.553 19.008 64 HG22 VAL 429 HG22 VAL 429 -13.717 -20.751 18.477 65 HG23 VAL 429 HG23 VAL 429 -12.315 -19.791 18.952 66 HA PRO 430 HA PRO 430 -12.324 -19.198 12.077 67 HB2 PRO 430 HB2 PRO 430 -11.450 -16.696 11.701 68 HB3 PRO 430 HB1 PRO 430 -13.152 -17.043 12.039 69 HG2 PRO 430 HG2 PRO 430 -11.011 -16.061 13.887 70 HG3 PRO 430 HG1 PRO 430 -12.699 -15.538 13.751 71 HD2 PRO 430 HD2 PRO 430 -11.784 -17.294 15.654 72 HD3 PRO 430 HD1 PRO 430 -13.459 -17.237 15.072 73 H VAL 431 HN VAL 431 -10.331 -20.400 13.716 74 HA VAL 431 HA VAL 431 -7.779 -19.217 13.086 75 HB VAL 431 HB VAL 431 -6.888 -21.500 13.848 76 HG11 VAL 431 HG11 VAL 431 -8.489 -19.784 15.737 77 HG12 VAL 431 HG12 VAL 431 -6.815 -19.526 15.245 78 HG13 VAL 431 HG13 VAL 431 -7.243 -20.937 16.215 79 HG21 VAL 431 HG21 VAL 431 -9.558 -21.867 15.132 80 HG22 VAL 431 HG22 VAL 431 -8.278 -23.044 14.843 81 HG23 VAL 431 HG23 VAL 431 -9.284 -22.490 13.504 82 H THR 432 HN THR 432 -6.567 -19.525 11.359 83 HA THR 432 HA THR 432 -6.378 -21.792 9.765 84 HB THR 432 HB THR 432 -8.674 -21.443 9.072 85 HG1 THR 432 HG1 THR 432 -6.865 -21.918 7.470 86 HG21 THR 432 HG21 THR 432 -9.608 -19.445 8.787 87 HG22 THR 432 HG22 THR 432 -8.420 -19.012 7.557 88 HG23 THR 432 HG23 THR 432 -8.076 -18.711 9.260 89 H GLN 433 HN GLN 433 -6.224 -18.314 10.048 90 HA GLN 433 HA GLN 433 -4.584 -16.815 9.584 91 HB2 GLN 433 HB2 GLN 433 -3.047 -19.219 8.593 92 HB3 GLN 433 HB1 GLN 433 -2.392 -17.588 8.650 93 HG2 GLN 433 HG2 GLN 433 -2.532 -17.535 11.027 94 HG3 GLN 433 HG1 GLN 433 -3.436 -19.048 11.060 95 HE21 GLN 433 HE21 GLN 433 -2.247 -20.632 11.798 96 HE22 GLN 433 HE22 GLN 433 -0.571 -20.901 11.454 97 H THR 434 HN THR 434 -4.669 -19.198 6.944 98 HA THR 434 HA THR 434 -4.674 -17.087 4.957 99 HB THR 434 HB THR 434 -3.358 -19.080 4.511 100 HG1 THR 434 HG1 THR 434 -4.112 -19.460 2.422 101 HG21 THR 434 HG21 THR 434 -5.844 -20.469 5.231 102 HG22 THR 434 HG22 THR 434 -4.167 -20.994 5.373 103 HG23 THR 434 HG23 THR 434 -5.005 -21.130 3.827 104 H GLN 435 HN GLN 435 -6.721 -16.417 6.239 105 HA GLN 435 HA GLN 435 -9.133 -17.808 5.983 106 HB2 GLN 435 HB2 GLN 435 -8.720 -14.823 6.238 107 HB3 GLN 435 HB1 GLN 435 -10.203 -15.694 6.598 108 HG2 GLN 435 HG2 GLN 435 -9.119 -16.857 8.417 109 HG3 GLN 435 HG1 GLN 435 -7.584 -16.079 8.029 110 HE21 GLN 435 HE21 GLN 435 -10.208 -15.976 9.999 111 HE22 GLN 435 HE22 GLN 435 -10.106 -14.327 10.526 112 H THR 436 HN THR 436 -7.850 -15.116 4.037 113 HA THR 436 HA THR 436 -10.065 -15.087 2.252 114 HB THR 436 HB THR 436 -8.448 -13.708 0.803 115 HG1 THR 436 HG1 THR 436 -6.456 -13.479 1.501 116 HG21 THR 436 HG21 THR 436 -9.869 -12.313 1.895 117 HG22 THR 436 HG22 THR 436 -8.401 -11.904 2.783 118 HG23 THR 436 HG23 THR 436 -9.555 -13.049 3.467 119 H ALA 437 HN ALA 437 -6.718 -16.238 1.905 120 HA ALA 437 HA ALA 437 -5.763 -17.878 0.673 121 HB1 ALA 437 HB1 ALA 437 -7.122 -19.686 -0.268 122 HB2 ALA 437 HB2 ALA 437 -8.583 -18.772 0.106 123 HB3 ALA 437 HB3 ALA 437 -7.544 -19.344 1.411 124 H GLY 438 HN GLY 438 -8.612 -16.650 -1.089 125 HA2 GLY 438 HA2 GLY 438 -6.956 -16.500 -3.515 126 HA3 GLY 438 HA1 GLY 438 -8.713 -16.418 -3.469 127 H ALA 439 HN ALA 439 -6.370 -14.658 -1.503 128 HA ALA 439 HA ALA 439 -6.496 -12.224 -2.924 129 HB1 ALA 439 HB1 ALA 439 -7.789 -10.929 -1.185 130 HB2 ALA 439 HB2 ALA 439 -8.350 -12.481 -0.557 131 HB3 ALA 439 HB3 ALA 439 -8.754 -11.999 -2.205 132 H ASP 440 HN ASP 440 -4.664 -11.267 -2.443 133 HA ASP 440 HA ASP 440 -3.056 -12.092 -0.235 134 HB2 ASP 440 HB2 ASP 440 -2.236 -11.290 -2.511 135 HB3 ASP 440 HB1 ASP 440 -2.611 -9.660 -1.966 136 H THR 441 HN THR 441 -5.121 -9.409 -0.957 137 HA THR 441 HA THR 441 -5.892 -7.636 0.212 138 HB THR 441 HB THR 441 -6.488 -8.144 2.624 139 HG1 THR 441 HG1 THR 441 -4.744 -10.094 2.284 140 HG21 THR 441 HG21 THR 441 -8.265 -9.663 2.001 141 HG22 THR 441 HG22 THR 441 -7.388 -10.135 0.544 142 HG23 THR 441 HG23 THR 441 -8.001 -8.490 0.711 143 H THR 442 HN THR 442 -3.275 -7.219 -0.213 144 HA THR 442 HA THR 442 -2.005 -6.408 2.268 145 HB THR 442 HB THR 442 -1.157 -5.728 -0.552 146 HG1 THR 442 HG1 THR 442 -0.713 -7.783 -0.711 147 HG21 THR 442 HG21 THR 442 0.711 -6.088 1.742 148 HG22 THR 442 HG22 THR 442 -0.220 -4.595 1.645 149 HG23 THR 442 HG23 THR 442 0.857 -5.050 0.324 150 H ALA 443 HN ALA 443 -3.768 -5.042 -0.430 151 HA ALA 443 HA ALA 443 -4.685 -3.018 -0.841 152 HB1 ALA 443 HB1 ALA 443 -4.684 -2.854 2.174 153 HB2 ALA 443 HB2 ALA 443 -5.967 -3.494 1.147 154 HB3 ALA 443 HB3 ALA 443 -5.578 -1.775 1.097 155 H GLU 444 HN GLU 444 -3.716 -1.121 1.742 156 HA GLU 444 HA GLU 444 -1.393 -0.169 0.244 157 HB2 GLU 444 HB2 GLU 444 -3.497 1.383 1.734 158 HB3 GLU 444 HB1 GLU 444 -1.958 2.086 1.246 159 HG2 GLU 444 HG2 GLU 444 -2.445 1.799 -1.040 160 HG3 GLU 444 HG1 GLU 444 -3.838 0.776 -0.691 161 H LYS 445 HN LYS 445 -1.104 -2.142 2.092 162 HA LYS 445 HA LYS 445 -0.399 -1.122 4.665 163 HB2 LYS 445 HB2 LYS 445 -1.063 -3.470 4.332 164 HB3 LYS 445 HB1 LYS 445 0.349 -3.728 3.317 165 HG2 LYS 445 HG2 LYS 445 0.826 -4.615 5.465 166 HG3 LYS 445 HG1 LYS 445 1.769 -3.138 5.265 167 HD2 LYS 445 HD2 LYS 445 0.879 -3.069 7.462 168 HD3 LYS 445 HD1 LYS 445 -0.070 -1.932 6.502 169 HE2 LYS 445 HE2 LYS 445 -1.538 -3.239 7.913 170 HE3 LYS 445 HE1 LYS 445 -1.806 -3.659 6.222 171 HZ1 LYS 445 HZ1 LYS 445 -0.840 -5.718 6.485 172 HZ2 LYS 445 HZ2 LYS 445 -1.583 -5.517 7.998 173 HZ3 LYS 445 HZ3 LYS 445 0.082 -5.246 7.831 174 H CYS 446 HN CYS 446 1.236 -1.683 1.614 175 HA CYS 446 HA CYS 446 3.871 -1.297 2.717 176 HB2 CYS 446 HB2 CYS 446 2.926 -1.282 -0.159 177 HB3 CYS 446 HB1 CYS 446 4.606 -1.267 0.356 178 H LYS 447 HN LYS 447 1.530 0.610 0.912 179 HA LYS 447 HA LYS 447 3.058 2.921 0.533 180 HB2 LYS 447 HB2 LYS 447 0.908 2.501 -0.598 181 HB3 LYS 447 HB1 LYS 447 0.069 2.677 0.938 182 HG2 LYS 447 HG2 LYS 447 0.854 5.004 1.069 183 HG3 LYS 447 HG1 LYS 447 1.623 4.811 -0.507 184 HD2 LYS 447 HD2 LYS 447 -1.325 4.516 0.059 185 HD3 LYS 447 HD1 LYS 447 -0.554 5.919 -0.682 186 HE2 LYS 447 HE2 LYS 447 0.215 4.492 -2.534 187 HE3 LYS 447 HE1 LYS 447 -0.616 3.119 -1.802 188 HZ1 LYS 447 HZ1 LYS 447 -2.709 4.369 -2.012 189 HZ2 LYS 447 HZ2 LYS 447 -1.982 4.075 -3.516 190 HZ3 LYS 447 HZ3 LYS 447 -1.872 5.613 -2.811 191 H GLY 448 HN GLY 448 3.778 4.413 1.899 192 HA2 GLY 448 HA2 GLY 448 3.149 5.915 3.798 193 HA3 GLY 448 HA1 GLY 448 2.606 4.453 4.613 194 H LYS 449 HN LYS 449 4.831 2.854 3.588 195 HA LYS 449 HA LYS 449 6.700 3.384 5.667 196 HB2 LYS 449 HB2 LYS 449 6.731 1.479 3.330 197 HB3 LYS 449 HB1 LYS 449 8.027 1.559 4.514 198 HG2 LYS 449 HG2 LYS 449 6.463 0.973 6.283 199 HG3 LYS 449 HG1 LYS 449 5.147 0.917 5.106 200 HD2 LYS 449 HD2 LYS 449 6.146 -0.926 3.972 201 HD3 LYS 449 HD1 LYS 449 7.627 -0.787 4.922 202 HE2 LYS 449 HE2 LYS 449 6.315 -2.626 5.749 203 HE3 LYS 449 HE1 LYS 449 6.332 -1.336 6.948 204 HZ1 LYS 449 HZ1 LYS 449 4.124 -1.912 5.044 205 HZ2 LYS 449 HZ2 LYS 449 4.126 -0.668 6.198 206 HZ3 LYS 449 HZ3 LYS 449 4.127 -2.289 6.695 207 H GLY 450 HN GLY 450 8.685 4.266 5.618 208 HA2 GLY 450 HA2 GLY 450 9.424 5.983 3.418 209 HA3 GLY 450 HA1 GLY 450 10.366 5.683 4.877 210 H GLU 451 HN GLU 451 11.626 5.799 2.417 211 HA GLU 451 HA GLU 451 11.838 3.472 0.947 212 HB2 GLU 451 HB2 GLU 451 12.852 5.566 0.253 213 HB3 GLU 451 HB1 GLU 451 13.992 5.486 1.588 214 HG2 GLU 451 HG2 GLU 451 14.975 3.464 0.610 215 HG3 GLU 451 HG1 GLU 451 13.841 3.581 -0.737 216 H LYS 452 HN LYS 452 13.794 4.402 3.773 217 HA LYS 452 HA LYS 452 15.327 2.030 3.777 218 HB2 LYS 452 HB2 LYS 452 16.019 2.701 6.045 219 HB3 LYS 452 HB1 LYS 452 16.137 4.021 4.890 220 HG2 LYS 452 HG2 LYS 452 14.024 4.939 5.746 221 HG3 LYS 452 HG1 LYS 452 13.954 3.630 6.929 222 HD2 LYS 452 HD2 LYS 452 14.846 5.643 7.955 223 HD3 LYS 452 HD1 LYS 452 16.094 4.399 7.876 224 HE2 LYS 452 HE2 LYS 452 17.010 5.465 5.862 225 HE3 LYS 452 HE1 LYS 452 15.777 6.719 5.973 226 HZ1 LYS 452 HZ1 LYS 452 18.221 6.916 7.037 227 HZ2 LYS 452 HZ2 LYS 452 17.350 6.332 8.373 228 HZ3 LYS 452 HZ3 LYS 452 16.870 7.766 7.610 229 H ASP 453 HN ASP 453 12.260 2.877 5.251 230 HA ASP 453 HA ASP 453 12.166 0.592 6.970 231 HB2 ASP 453 HB2 ASP 453 10.882 2.751 7.319 232 HB3 ASP 453 HB1 ASP 453 9.798 2.219 6.038 233 H CYS 454 HN CYS 454 10.742 1.409 3.841 234 HA CYS 454 HA CYS 454 9.175 -0.849 3.418 235 HB2 CYS 454 HB2 CYS 454 9.249 1.221 1.967 236 HB3 CYS 454 HB1 CYS 454 10.774 0.633 1.316 237 H LYS 455 HN LYS 455 9.712 -2.936 3.329 238 HA LYS 455 HA LYS 455 12.502 -3.680 2.896 239 HB2 LYS 455 HB2 LYS 455 10.125 -5.410 3.619 240 HB3 LYS 455 HB1 LYS 455 11.808 -5.916 3.618 241 HG2 LYS 455 HG2 LYS 455 12.292 -4.341 5.413 242 HG3 LYS 455 HG1 LYS 455 10.609 -3.814 5.407 243 HD2 LYS 455 HD2 LYS 455 9.905 -6.086 6.006 244 HD3 LYS 455 HD1 LYS 455 11.595 -6.597 6.031 245 HE2 LYS 455 HE2 LYS 455 12.032 -4.937 7.808 246 HE3 LYS 455 HE1 LYS 455 10.318 -4.524 7.813 247 HZ1 LYS 455 HZ1 LYS 455 11.094 -7.329 8.196 248 HZ2 LYS 455 HZ2 LYS 455 9.748 -6.490 8.800 249 HZ3 LYS 455 HZ3 LYS 455 11.279 -6.253 9.492 250 H SER 456 HN SER 456 13.201 -4.307 0.955 251 HA SER 456 HA SER 456 11.608 -4.159 -1.293 252 HG SER 456 HG SER 456 14.001 -5.946 -3.092 253 HB2 SER 456 HB2 SER 456 14.064 -3.942 -1.309 254 HB3 SER 456 HB1 SER 456 14.213 -5.678 -1.037 255 HA PRO 457 HA PRO 457 11.370 -9.041 -1.492 256 HB2 PRO 457 HB2 PRO 457 11.433 -9.682 1.399 257 HB3 PRO 457 HB1 PRO 457 12.174 -10.536 0.040 258 HG2 PRO 457 HG2 PRO 457 13.657 -9.120 1.749 259 HG3 PRO 457 HG1 PRO 457 14.029 -9.150 0.016 260 HD2 PRO 457 HD2 PRO 457 12.662 -7.029 1.625 261 HD3 PRO 457 HD1 PRO 457 13.862 -6.859 0.327 262 H ASP 458 HN ASP 458 10.133 -7.127 1.164 263 HA ASP 458 HA ASP 458 7.585 -8.487 1.263 264 HB2 ASP 458 HB2 ASP 458 8.634 -7.507 3.284 265 HB3 ASP 458 HB1 ASP 458 8.469 -5.908 2.572 266 H CYS 459 HN CYS 459 8.777 -5.278 0.264 267 HA CYS 459 HA CYS 459 6.510 -5.057 -1.576 268 HB2 CYS 459 HB2 CYS 459 7.335 -2.756 0.202 269 HB3 CYS 459 HB1 CYS 459 5.956 -2.825 -0.886 270 H LYS 460 HN LYS 460 7.063 -4.112 -3.476 271 HA LYS 460 HA LYS 460 9.868 -3.590 -3.941 272 HB2 LYS 460 HB2 LYS 460 8.353 -4.833 -5.538 273 HB3 LYS 460 HB1 LYS 460 7.565 -3.299 -5.874 274 HG2 LYS 460 HG2 LYS 460 9.219 -3.886 -7.580 275 HG3 LYS 460 HG1 LYS 460 9.635 -2.388 -6.742 276 HD2 LYS 460 HD2 LYS 460 11.276 -3.507 -5.413 277 HD3 LYS 460 HD1 LYS 460 10.761 -5.084 -6.012 278 HE2 LYS 460 HE2 LYS 460 11.876 -2.920 -7.778 279 HE3 LYS 460 HE1 LYS 460 12.865 -4.176 -7.034 280 HZ1 LYS 460 HZ1 LYS 460 10.649 -4.576 -8.976 281 HZ2 LYS 460 HZ2 LYS 460 11.443 -5.835 -8.163 282 HZ3 LYS 460 HZ3 LYS 460 12.303 -4.847 -9.238 283 H TRP 461 HN TRP 461 10.778 -1.661 -3.770 284 HA TRP 461 HA TRP 461 9.142 0.714 -3.427 285 HD1 TRP 461 HD1 TRP 461 12.785 2.903 -4.170 286 HE1 TRP 461 HE1 TRP 461 12.352 5.222 -3.135 287 HE3 TRP 461 HE3 TRP 461 9.339 1.580 -0.642 288 HZ2 TRP 461 HZ2 TRP 461 10.757 6.320 -1.079 289 HZ3 TRP 461 HZ3 TRP 461 8.414 3.320 0.811 290 HH2 TRP 461 HH2 TRP 461 9.104 5.647 0.597 291 HB2 TRP 461 HB2 TRP 461 11.180 0.258 -2.032 292 HB3 TRP 461 HB1 TRP 461 12.161 0.458 -3.477 293 H GLU 462 HN GLU 462 8.654 2.102 -5.035 294 HA GLU 462 HA GLU 462 10.481 2.533 -7.224 295 HB2 GLU 462 HB2 GLU 462 9.150 0.509 -7.922 296 HB3 GLU 462 HB1 GLU 462 7.708 1.516 -7.873 297 HG2 GLU 462 HG2 GLU 462 9.184 3.040 -9.467 298 HG3 GLU 462 HG1 GLU 462 9.948 1.489 -9.811 299 H GLY 463 HN GLY 463 10.327 4.564 -7.944 300 HA2 GLY 463 HA2 GLY 463 9.557 6.699 -8.263 301 HA3 GLY 463 HA1 GLY 463 7.933 6.035 -8.175 302 H GLY 464 HN GLY 464 10.343 5.850 -5.628 303 HA2 GLY 464 HA2 GLY 464 10.396 6.728 -3.515 304 HA3 GLY 464 HA1 GLY 464 9.560 8.122 -4.182 305 H THR 465 HN THR 465 8.339 4.808 -4.064 306 HA THR 465 HA THR 465 6.712 5.355 -1.764 307 HB THR 465 HB THR 465 5.400 6.431 -3.600 308 HG1 THR 465 HG1 THR 465 3.442 5.454 -2.946 309 HG21 THR 465 HG21 THR 465 5.914 4.991 -5.466 310 HG22 THR 465 HG22 THR 465 4.177 4.927 -5.162 311 HG23 THR 465 HG23 THR 465 5.215 3.599 -4.638 312 H CYS 466 HN CYS 466 5.974 3.537 -0.792 313 HA CYS 466 HA CYS 466 7.230 1.076 -1.674 314 HB2 CYS 466 HB2 CYS 466 7.384 1.968 0.673 315 HB3 CYS 466 HB1 CYS 466 5.667 1.646 0.853 316 H LYS 467 HN LYS 467 6.167 -0.537 -2.674 317 HA LYS 467 HA LYS 467 3.280 -0.804 -2.290 318 HB2 LYS 467 HB2 LYS 467 2.870 -0.943 -4.701 319 HB3 LYS 467 HB1 LYS 467 3.519 0.629 -4.263 320 HG2 LYS 467 HG2 LYS 467 5.738 -0.098 -5.022 321 HG3 LYS 467 HG1 LYS 467 5.044 -1.643 -5.509 322 HD2 LYS 467 HD2 LYS 467 3.549 -0.471 -7.061 323 HD3 LYS 467 HD1 LYS 467 4.286 1.063 -6.591 324 HE2 LYS 467 HE2 LYS 467 6.474 0.195 -7.358 325 HE3 LYS 467 HE1 LYS 467 5.660 -1.263 -7.922 326 HZ1 LYS 467 HZ1 LYS 467 4.393 0.040 -9.469 327 HZ2 LYS 467 HZ2 LYS 467 6.043 0.377 -9.691 328 HZ3 LYS 467 HZ3 LYS 467 5.055 1.485 -8.872 329 H ASP 468 HN ASP 468 2.542 -2.880 -2.454 330 HA ASP 468 HA ASP 468 4.499 -4.936 -2.190 331 HB2 ASP 468 HB2 ASP 468 2.583 -6.460 -1.951 332 HB3 ASP 468 HB1 ASP 468 2.407 -5.039 -0.929 Start of MODEL 11 1 H1 GLY 421 HT1 GLY 421 -35.882 -6.159 27.275 2 H2 GLY 421 HT2 GLY 421 -35.032 -6.527 28.696 3 H3 GLY 421 HT3 GLY 421 -35.846 -7.753 27.854 4 HA2 GLY 421 HA1 GLY 421 -33.501 -6.219 26.867 5 HA3 GLY 421 HA2 GLY 421 -33.472 -7.879 27.451 6 H THR 422 HN THR 422 -32.849 -8.884 25.604 7 HA THR 422 HA THR 422 -34.036 -8.305 23.066 8 HB THR 422 HB THR 422 -32.348 -10.710 23.767 9 HG1 THR 422 HG1 THR 422 -31.629 -8.007 23.181 10 HG21 THR 422 HG21 THR 422 -31.646 -10.557 21.425 11 HG22 THR 422 HG22 THR 422 -32.698 -9.160 21.190 12 HG23 THR 422 HG23 THR 422 -33.396 -10.743 21.537 13 H LYS 423 HN LYS 423 -36.215 -8.706 24.297 14 HA LYS 423 HA LYS 423 -37.066 -11.446 23.614 15 HB2 LYS 423 HB2 LYS 423 -37.578 -9.832 26.037 16 HB3 LYS 423 HB1 LYS 423 -38.987 -10.641 25.368 17 HG2 LYS 423 HG2 LYS 423 -37.989 -12.020 27.065 18 HG3 LYS 423 HG1 LYS 423 -37.780 -12.787 25.492 19 HD2 LYS 423 HD2 LYS 423 -35.476 -11.931 25.401 20 HD3 LYS 423 HD1 LYS 423 -35.697 -11.202 26.993 21 HE2 LYS 423 HE2 LYS 423 -36.101 -13.418 27.948 22 HE3 LYS 423 HE1 LYS 423 -35.876 -14.147 26.360 23 HZ1 LYS 423 HZ1 LYS 423 -33.914 -14.103 27.997 24 HZ2 LYS 423 HZ2 LYS 423 -33.755 -12.478 27.549 25 HZ3 LYS 423 HZ3 LYS 423 -33.625 -13.698 26.376 26 H ALA 424 HN ALA 424 -36.933 -9.185 21.897 27 HA ALA 424 HA ALA 424 -39.551 -9.233 20.782 28 HB1 ALA 424 HB1 ALA 424 -39.365 -7.385 22.760 29 HB2 ALA 424 HB2 ALA 424 -40.438 -7.248 21.365 30 HB3 ALA 424 HB3 ALA 424 -38.873 -6.433 21.358 31 H SER 425 HN SER 425 -37.198 -10.005 19.722 32 HA SER 425 HA SER 425 -35.676 -8.091 18.367 33 HG SER 425 HG SER 425 -33.854 -10.513 18.635 34 HB2 SER 425 HB2 SER 425 -36.279 -10.939 17.531 35 HB3 SER 425 HB1 SER 425 -34.943 -9.950 16.940 36 H LYS 426 HN LYS 426 -35.998 -6.894 16.609 37 HA LYS 426 HA LYS 426 -38.551 -6.730 15.394 38 HB2 LYS 426 HB2 LYS 426 -35.895 -5.594 14.492 39 HB3 LYS 426 HB1 LYS 426 -37.464 -5.127 13.851 40 HG2 LYS 426 HG2 LYS 426 -38.119 -4.266 16.029 41 HG3 LYS 426 HG1 LYS 426 -36.571 -4.772 16.706 42 HD2 LYS 426 HD2 LYS 426 -36.876 -2.803 14.440 43 HD3 LYS 426 HD1 LYS 426 -36.689 -2.348 16.134 44 HE2 LYS 426 HE2 LYS 426 -34.708 -4.015 14.591 45 HE3 LYS 426 HE1 LYS 426 -34.576 -2.272 14.819 46 HZ1 LYS 426 HZ1 LYS 426 -34.175 -4.438 16.745 47 HZ2 LYS 426 HZ2 LYS 426 -34.824 -2.983 17.329 48 HZ3 LYS 426 HZ3 LYS 426 -33.317 -2.990 16.549 49 H SER 427 HN SER 427 -35.424 -7.882 14.197 50 HA SER 427 HA SER 427 -34.811 -9.129 12.409 51 HG SER 427 HG SER 427 -37.927 -9.871 13.600 52 HB2 SER 427 HB2 SER 427 -36.080 -11.298 12.213 53 HB3 SER 427 HB1 SER 427 -35.511 -10.914 13.834 54 H GLY 428 HN GLY 428 -36.245 -6.902 11.590 55 HA2 GLY 428 HA2 GLY 428 -38.111 -7.792 9.527 56 HA3 GLY 428 HA1 GLY 428 -37.699 -6.127 9.912 57 H VAL 429 HN VAL 429 -34.970 -6.202 9.786 58 HA VAL 429 HA VAL 429 -34.035 -7.437 7.392 59 HB VAL 429 HB VAL 429 -35.245 -5.697 6.257 60 HG11 VAL 429 HG11 VAL 429 -35.749 -3.830 7.348 61 HG12 VAL 429 HG12 VAL 429 -34.115 -3.269 6.992 62 HG13 VAL 429 HG13 VAL 429 -34.454 -4.084 8.519 63 HG21 VAL 429 HG21 VAL 429 -32.358 -5.787 6.243 64 HG22 VAL 429 HG22 VAL 429 -32.961 -4.208 5.737 65 HG23 VAL 429 HG23 VAL 429 -33.491 -5.665 4.897 66 HA PRO 430 HA PRO 430 -30.574 -6.970 10.105 67 HB2 PRO 430 HB2 PRO 430 -29.013 -8.087 7.868 68 HB3 PRO 430 HB1 PRO 430 -29.270 -8.730 9.492 69 HG2 PRO 430 HG2 PRO 430 -30.426 -9.850 7.353 70 HG3 PRO 430 HG1 PRO 430 -31.253 -9.763 8.919 71 HD2 PRO 430 HD2 PRO 430 -31.614 -8.049 6.487 72 HD3 PRO 430 HD1 PRO 430 -32.839 -8.727 7.582 73 H VAL 431 HN VAL 431 -29.371 -5.238 10.476 74 HA VAL 431 HA VAL 431 -28.626 -3.474 8.291 75 HB VAL 431 HB VAL 431 -27.824 -1.930 10.012 76 HG11 VAL 431 HG11 VAL 431 -30.564 -3.048 10.092 77 HG12 VAL 431 HG12 VAL 431 -30.012 -1.419 9.700 78 HG13 VAL 431 HG13 VAL 431 -30.112 -1.936 11.383 79 HG21 VAL 431 HG21 VAL 431 -27.931 -2.420 12.353 80 HG22 VAL 431 HG22 VAL 431 -27.020 -3.713 11.573 81 HG23 VAL 431 HG23 VAL 431 -28.697 -3.979 12.047 82 H THR 432 HN THR 432 -27.415 -6.128 9.644 83 HA THR 432 HA THR 432 -24.638 -5.509 9.850 84 HB THR 432 HB THR 432 -24.534 -8.133 9.640 85 HG1 THR 432 HG1 THR 432 -26.523 -8.760 9.093 86 HG21 THR 432 HG21 THR 432 -23.985 -7.249 11.711 87 HG22 THR 432 HG22 THR 432 -25.417 -8.208 12.088 88 HG23 THR 432 HG23 THR 432 -25.549 -6.459 11.903 89 H GLN 433 HN GLN 433 -23.070 -5.638 8.346 90 HA GLN 433 HA GLN 433 -23.708 -5.551 5.617 91 HB2 GLN 433 HB2 GLN 433 -21.055 -6.071 6.973 92 HB3 GLN 433 HB1 GLN 433 -21.239 -5.791 5.250 93 HG2 GLN 433 HG2 GLN 433 -20.592 -3.727 6.043 94 HG3 GLN 433 HG1 GLN 433 -22.345 -3.574 5.949 95 HE21 GLN 433 HE21 GLN 433 -19.619 -3.296 7.905 96 HE22 GLN 433 HE22 GLN 433 -20.423 -3.048 9.417 97 H THR 434 HN THR 434 -23.910 -7.090 4.102 98 HA THR 434 HA THR 434 -24.273 -9.768 4.786 99 HB THR 434 HB THR 434 -23.592 -8.699 2.038 100 HG1 THR 434 HG1 THR 434 -25.899 -8.516 1.842 101 HG21 THR 434 HG21 THR 434 -24.001 -10.748 1.256 102 HG22 THR 434 HG22 THR 434 -25.528 -10.830 2.135 103 HG23 THR 434 HG23 THR 434 -24.029 -11.324 2.922 104 H GLN 435 HN GLN 435 -21.502 -8.183 3.240 105 HA GLN 435 HA GLN 435 -19.663 -9.864 4.583 106 HB2 GLN 435 HB2 GLN 435 -20.279 -11.495 2.854 107 HB3 GLN 435 HB1 GLN 435 -19.924 -10.311 1.599 108 HG2 GLN 435 HG2 GLN 435 -17.577 -10.277 2.317 109 HG3 GLN 435 HG1 GLN 435 -17.945 -11.495 3.533 110 HE21 GLN 435 HE21 GLN 435 -19.883 -12.360 1.110 111 HE22 GLN 435 HE22 GLN 435 -18.835 -13.424 0.229 112 H THR 436 HN THR 436 -17.921 -8.647 4.910 113 HA THR 436 HA THR 436 -17.665 -6.091 3.743 114 HB THR 436 HB THR 436 -16.810 -6.536 5.984 115 HG1 THR 436 HG1 THR 436 -15.738 -4.834 5.184 116 HG21 THR 436 HG21 THR 436 -14.806 -8.317 4.599 117 HG22 THR 436 HG22 THR 436 -16.031 -8.803 5.772 118 HG23 THR 436 HG23 THR 436 -14.681 -7.785 6.277 119 H ALA 437 HN ALA 437 -16.780 -5.469 1.899 120 HA ALA 437 HA ALA 437 -14.532 -6.736 0.685 121 HB1 ALA 437 HB1 ALA 437 -15.743 -7.466 -1.379 122 HB2 ALA 437 HB2 ALA 437 -17.254 -7.246 -0.497 123 HB3 ALA 437 HB3 ALA 437 -16.080 -8.441 0.052 124 H GLY 438 HN GLY 438 -13.641 -5.485 -0.906 125 HA2 GLY 438 HA2 GLY 438 -13.438 -3.744 -2.414 126 HA3 GLY 438 HA1 GLY 438 -15.150 -3.408 -2.205 127 H ALA 439 HN ALA 439 -12.615 -3.528 0.261 128 HA ALA 439 HA ALA 439 -13.415 -1.056 1.429 129 HB1 ALA 439 HB1 ALA 439 -10.887 -2.659 1.794 130 HB2 ALA 439 HB2 ALA 439 -12.351 -2.768 2.770 131 HB3 ALA 439 HB3 ALA 439 -11.379 -1.296 2.800 132 H ASP 440 HN ASP 440 -10.992 -2.011 -0.904 133 HA ASP 440 HA ASP 440 -9.615 -0.860 -2.287 134 HB2 ASP 440 HB2 ASP 440 -11.684 0.367 -2.893 135 HB3 ASP 440 HB1 ASP 440 -11.351 1.532 -1.614 136 H THR 441 HN THR 441 -8.540 -1.353 0.049 137 HA THR 441 HA THR 441 -6.807 0.924 0.522 138 HB THR 441 HB THR 441 -8.360 -0.278 2.827 139 HG1 THR 441 HG1 THR 441 -8.925 1.781 1.123 140 HG21 THR 441 HG21 THR 441 -6.614 2.175 2.863 141 HG22 THR 441 HG22 THR 441 -5.977 0.568 3.210 142 HG23 THR 441 HG23 THR 441 -7.242 1.255 4.231 143 H THR 442 HN THR 442 -4.828 0.147 0.563 144 HA THR 442 HA THR 442 -4.340 -2.664 0.847 145 HB THR 442 HB THR 442 -2.346 -0.405 0.581 146 HG1 THR 442 HG1 THR 442 -3.784 -1.953 -1.332 147 HG21 THR 442 HG21 THR 442 -0.921 -2.209 -0.409 148 HG22 THR 442 HG22 THR 442 -2.131 -3.382 0.111 149 HG23 THR 442 HG23 THR 442 -1.257 -2.427 1.309 150 H ALA 443 HN ALA 443 -4.041 -3.684 2.694 151 HA ALA 443 HA ALA 443 -3.597 -2.314 5.166 152 HB1 ALA 443 HB1 ALA 443 -4.533 -4.162 5.956 153 HB2 ALA 443 HB2 ALA 443 -3.093 -5.071 5.489 154 HB3 ALA 443 HB3 ALA 443 -4.442 -4.910 4.360 155 H GLU 444 HN GLU 444 -1.663 -3.925 2.807 156 HA GLU 444 HA GLU 444 0.464 -4.885 4.100 157 HB2 GLU 444 HB2 GLU 444 0.084 -4.895 1.639 158 HB3 GLU 444 HB1 GLU 444 0.677 -3.242 1.587 159 HG2 GLU 444 HG2 GLU 444 2.369 -4.872 0.928 160 HG3 GLU 444 HG1 GLU 444 2.840 -3.949 2.354 161 H LYS 445 HN LYS 445 1.940 -4.251 5.375 162 HA LYS 445 HA LYS 445 2.154 -1.540 6.235 163 HB2 LYS 445 HB2 LYS 445 2.500 -3.782 7.546 164 HB3 LYS 445 HB1 LYS 445 4.149 -3.661 6.949 165 HG2 LYS 445 HG2 LYS 445 4.346 -1.448 8.003 166 HG3 LYS 445 HG1 LYS 445 2.711 -1.626 8.644 167 HD2 LYS 445 HD2 LYS 445 5.121 -3.320 9.280 168 HD3 LYS 445 HD1 LYS 445 4.268 -2.221 10.364 169 HE2 LYS 445 HE2 LYS 445 3.156 -4.745 9.150 170 HE3 LYS 445 HE1 LYS 445 3.678 -4.541 10.820 171 HZ1 LYS 445 HZ1 LYS 445 1.590 -3.972 11.246 172 HZ2 LYS 445 HZ2 LYS 445 1.191 -3.851 9.604 173 HZ3 LYS 445 HZ3 LYS 445 1.873 -2.524 10.408 174 H CYS 446 HN CYS 446 2.710 -1.659 3.567 175 HA CYS 446 HA CYS 446 5.420 -0.612 3.505 176 HB2 CYS 446 HB2 CYS 446 4.392 -2.852 1.769 177 HB3 CYS 446 HB1 CYS 446 5.723 -1.822 1.269 178 H LYS 447 HN LYS 447 2.265 -0.144 3.025 179 HA LYS 447 HA LYS 447 2.323 0.997 0.390 180 HB2 LYS 447 HB2 LYS 447 0.252 0.056 1.286 181 HB3 LYS 447 HB1 LYS 447 0.250 1.252 2.577 182 HG2 LYS 447 HG2 LYS 447 -1.311 1.853 0.810 183 HG3 LYS 447 HG1 LYS 447 -0.010 3.037 0.941 184 HD2 LYS 447 HD2 LYS 447 1.136 1.917 -0.948 185 HD3 LYS 447 HD1 LYS 447 -0.251 0.838 -1.107 186 HE2 LYS 447 HE2 LYS 447 -0.486 2.592 -2.716 187 HE3 LYS 447 HE1 LYS 447 -1.687 2.840 -1.450 188 HZ1 LYS 447 HZ1 LYS 447 -0.133 4.470 -0.441 189 HZ2 LYS 447 HZ2 LYS 447 -0.693 4.922 -1.975 190 HZ3 LYS 447 HZ3 LYS 447 0.877 4.301 -1.794 191 H GLY 448 HN GLY 448 3.518 2.704 0.019 192 HA2 GLY 448 HA2 GLY 448 4.247 4.872 0.047 193 HA3 GLY 448 HA1 GLY 448 2.709 5.221 0.812 194 H LYS 449 HN LYS 449 5.592 3.454 1.996 195 HA LYS 449 HA LYS 449 5.660 5.418 4.212 196 HB2 LYS 449 HB2 LYS 449 6.957 2.690 4.215 197 HB3 LYS 449 HB1 LYS 449 6.753 3.778 5.581 198 HG2 LYS 449 HG2 LYS 449 4.210 3.472 5.072 199 HG3 LYS 449 HG1 LYS 449 4.767 2.007 4.258 200 HD2 LYS 449 HD2 LYS 449 5.282 2.757 7.136 201 HD3 LYS 449 HD1 LYS 449 4.158 1.523 6.565 202 HE2 LYS 449 HE2 LYS 449 5.926 0.151 5.788 203 HE3 LYS 449 HE1 LYS 449 7.104 1.451 5.969 204 HZ1 LYS 449 HZ1 LYS 449 7.239 1.151 8.206 205 HZ2 LYS 449 HZ2 LYS 449 6.868 -0.444 7.757 206 HZ3 LYS 449 HZ3 LYS 449 5.651 0.575 8.358 207 H GLY 450 HN GLY 450 8.205 5.038 5.130 208 HA2 GLY 450 HA2 GLY 450 9.824 6.276 3.065 209 HA3 GLY 450 HA1 GLY 450 10.295 5.986 4.734 210 H GLU 451 HN GLU 451 11.860 5.439 2.375 211 HA GLU 451 HA GLU 451 11.802 2.749 1.597 212 HB2 GLU 451 HB2 GLU 451 13.034 4.623 0.464 213 HB3 GLU 451 HB1 GLU 451 14.233 4.542 1.746 214 HG2 GLU 451 HG2 GLU 451 13.585 2.142 0.076 215 HG3 GLU 451 HG1 GLU 451 14.711 3.373 -0.487 216 H LYS 452 HN LYS 452 13.295 4.371 4.323 217 HA LYS 452 HA LYS 452 14.940 2.307 5.271 218 HB2 LYS 452 HB2 LYS 452 13.410 4.372 6.863 219 HB3 LYS 452 HB1 LYS 452 14.775 3.429 7.447 220 HG2 LYS 452 HG2 LYS 452 16.259 4.508 5.915 221 HG3 LYS 452 HG1 LYS 452 14.913 5.330 5.121 222 HD2 LYS 452 HD2 LYS 452 14.438 6.541 7.200 223 HD3 LYS 452 HD1 LYS 452 15.802 5.733 7.977 224 HE2 LYS 452 HE2 LYS 452 16.008 7.490 5.537 225 HE3 LYS 452 HE1 LYS 452 16.316 8.026 7.188 226 HZ1 LYS 452 HZ1 LYS 452 17.775 5.667 6.289 227 HZ2 LYS 452 HZ2 LYS 452 18.280 6.950 7.274 228 HZ3 LYS 452 HZ3 LYS 452 18.224 7.144 5.589 229 H ASP 453 HN ASP 453 11.562 3.089 6.011 230 HA ASP 453 HA ASP 453 11.091 0.819 7.674 231 HB2 ASP 453 HB2 ASP 453 9.449 2.937 6.395 232 HB3 ASP 453 HB1 ASP 453 8.619 1.439 6.793 233 H CYS 454 HN CYS 454 10.118 1.598 4.363 234 HA CYS 454 HA CYS 454 8.917 -0.861 3.831 235 HB2 CYS 454 HB2 CYS 454 9.780 1.534 2.261 236 HB3 CYS 454 HB1 CYS 454 9.147 0.124 1.449 237 H LYS 455 HN LYS 455 10.236 -2.590 4.100 238 HA LYS 455 HA LYS 455 11.978 -3.112 1.860 239 HB2 LYS 455 HB2 LYS 455 12.892 -3.412 4.713 240 HB3 LYS 455 HB1 LYS 455 13.624 -4.278 3.367 241 HG2 LYS 455 HG2 LYS 455 14.444 -2.300 2.402 242 HG3 LYS 455 HG1 LYS 455 13.428 -1.282 3.427 243 HD2 LYS 455 HD2 LYS 455 14.696 -1.813 5.353 244 HD3 LYS 455 HD1 LYS 455 15.570 -3.092 4.506 245 HE2 LYS 455 HE2 LYS 455 16.951 -1.095 4.752 246 HE3 LYS 455 HE1 LYS 455 16.611 -1.431 3.056 247 HZ1 LYS 455 HZ1 LYS 455 16.187 0.933 4.401 248 HZ2 LYS 455 HZ2 LYS 455 14.641 0.286 4.152 249 HZ3 LYS 455 HZ3 LYS 455 15.668 0.548 2.831 250 H SER 456 HN SER 456 11.944 -5.199 1.259 251 HA SER 456 HA SER 456 11.235 -7.432 2.705 252 HG SER 456 HG SER 456 7.932 -8.197 2.166 253 HB2 SER 456 HB2 SER 456 9.062 -6.724 3.164 254 HB3 SER 456 HB1 SER 456 8.902 -5.892 1.621 255 HA PRO 457 HA PRO 457 12.233 -9.030 -1.370 256 HB2 PRO 457 HB2 PRO 457 11.619 -11.624 -1.003 257 HB3 PRO 457 HB1 PRO 457 13.047 -10.898 -0.260 258 HG2 PRO 457 HG2 PRO 457 10.424 -11.596 0.956 259 HG3 PRO 457 HG1 PRO 457 12.047 -11.666 1.663 260 HD2 PRO 457 HD2 PRO 457 10.170 -9.639 2.068 261 HD3 PRO 457 HD1 PRO 457 11.905 -9.526 2.419 262 H ASP 458 HN ASP 458 9.606 -7.899 -0.545 263 HA ASP 458 HA ASP 458 8.002 -8.961 -2.741 264 HB2 ASP 458 HB2 ASP 458 7.369 -10.267 -0.701 265 HB3 ASP 458 HB1 ASP 458 6.897 -8.758 0.068 266 H CYS 459 HN CYS 459 8.304 -6.620 -0.077 267 HA CYS 459 HA CYS 459 6.565 -4.681 -1.300 268 HB2 CYS 459 HB2 CYS 459 8.746 -4.221 0.768 269 HB3 CYS 459 HB1 CYS 459 7.463 -3.097 0.327 270 H LYS 460 HN LYS 460 7.068 -3.114 -2.793 271 HA LYS 460 HA LYS 460 9.875 -3.090 -3.682 272 HB2 LYS 460 HB2 LYS 460 9.005 -2.787 -6.008 273 HB3 LYS 460 HB1 LYS 460 8.694 -4.364 -5.298 274 HG2 LYS 460 HG2 LYS 460 6.407 -3.844 -4.936 275 HG3 LYS 460 HG1 LYS 460 6.669 -2.145 -5.338 276 HD2 LYS 460 HD2 LYS 460 7.075 -2.644 -7.612 277 HD3 LYS 460 HD1 LYS 460 7.189 -4.374 -7.287 278 HE2 LYS 460 HE2 LYS 460 4.689 -2.730 -6.911 279 HE3 LYS 460 HE1 LYS 460 5.047 -3.672 -8.356 280 HZ1 LYS 460 HZ1 LYS 460 4.223 -5.448 -7.362 281 HZ2 LYS 460 HZ2 LYS 460 3.867 -4.542 -5.974 282 HZ3 LYS 460 HZ3 LYS 460 5.368 -5.330 -6.118 283 H TRP 461 HN TRP 461 10.670 -1.256 -4.619 284 HA TRP 461 HA TRP 461 9.351 1.213 -3.744 285 HD1 TRP 461 HD1 TRP 461 12.868 3.465 -4.927 286 HE1 TRP 461 HE1 TRP 461 12.554 5.606 -3.524 287 HE3 TRP 461 HE3 TRP 461 9.900 1.567 -1.241 288 HZ2 TRP 461 HZ2 TRP 461 11.227 6.359 -1.136 289 HZ3 TRP 461 HZ3 TRP 461 9.157 3.049 0.561 290 HH2 TRP 461 HH2 TRP 461 9.800 5.399 0.613 291 HB2 TRP 461 HB2 TRP 461 11.765 0.501 -3.052 292 HB3 TRP 461 HB1 TRP 461 12.204 0.996 -4.684 293 H GLU 462 HN GLU 462 8.618 2.646 -5.236 294 HA GLU 462 HA GLU 462 9.776 2.777 -7.879 295 HB2 GLU 462 HB2 GLU 462 8.316 0.938 -8.306 296 HB3 GLU 462 HB1 GLU 462 6.989 1.703 -7.446 297 HG2 GLU 462 HG2 GLU 462 6.583 1.808 -9.804 298 HG3 GLU 462 HG1 GLU 462 6.880 3.430 -9.186 299 H GLY 463 HN GLY 463 9.850 4.835 -8.390 300 HA2 GLY 463 HA2 GLY 463 9.303 7.049 -8.590 301 HA3 GLY 463 HA1 GLY 463 7.629 6.574 -8.339 302 H GLY 464 HN GLY 464 10.387 6.228 -6.147 303 HA2 GLY 464 HA2 GLY 464 10.777 7.081 -4.053 304 HA3 GLY 464 HA1 GLY 464 9.864 8.491 -4.567 305 H THR 465 HN THR 465 8.744 5.153 -4.213 306 HA THR 465 HA THR 465 7.539 5.528 -1.691 307 HB THR 465 HB THR 465 6.005 6.953 -3.075 308 HG1 THR 465 HG1 THR 465 5.026 6.227 -1.274 309 HG21 THR 465 HG21 THR 465 5.935 4.548 -4.698 310 HG22 THR 465 HG22 THR 465 5.396 6.184 -5.080 311 HG23 THR 465 HG23 THR 465 4.320 5.078 -4.228 312 H CYS 466 HN CYS 466 6.630 3.649 -0.891 313 HA CYS 466 HA CYS 466 7.305 1.242 -2.402 314 HB2 CYS 466 HB2 CYS 466 6.570 0.320 0.016 315 HB3 CYS 466 HB1 CYS 466 8.204 0.868 -0.340 316 H LYS 467 HN LYS 467 5.801 -0.393 -2.820 317 HA LYS 467 HA LYS 467 3.037 -0.020 -2.021 318 HB2 LYS 467 HB2 LYS 467 2.207 0.116 -4.329 319 HB3 LYS 467 HB1 LYS 467 3.210 1.494 -3.904 320 HG2 LYS 467 HG2 LYS 467 5.075 0.572 -5.121 321 HG3 LYS 467 HG1 LYS 467 4.147 -0.881 -5.492 322 HD2 LYS 467 HD2 LYS 467 2.537 0.479 -6.748 323 HD3 LYS 467 HD1 LYS 467 3.488 1.922 -6.388 324 HE2 LYS 467 HE2 LYS 467 5.378 1.020 -7.595 325 HE3 LYS 467 HE1 LYS 467 4.509 -0.486 -7.881 326 HZ1 LYS 467 HZ1 LYS 467 2.823 0.913 -9.087 327 HZ2 LYS 467 HZ2 LYS 467 4.336 0.756 -9.842 328 HZ3 LYS 467 HZ3 LYS 467 3.943 2.189 -9.022 329 H ASP 468 HN ASP 468 1.719 -1.785 -2.397 330 HA ASP 468 HA ASP 468 3.105 -4.297 -2.908 331 HB2 ASP 468 HB2 ASP 468 1.542 -4.126 -0.992 332 HB3 ASP 468 HB1 ASP 468 0.230 -3.768 -2.108 Start of MODEL 12 1 H1 GLY 421 HT1 GLY 421 -10.378 -24.864 -9.659 2 H2 GLY 421 HT2 GLY 421 -8.775 -24.889 -10.213 3 H3 GLY 421 HT3 GLY 421 -9.987 -24.177 -11.160 4 HA2 GLY 421 HA1 GLY 421 -8.401 -22.698 -9.759 5 HA3 GLY 421 HA2 GLY 421 -10.109 -22.299 -9.905 6 H THR 422 HN THR 422 -10.432 -21.320 -7.987 7 HA THR 422 HA THR 422 -10.799 -21.061 -5.761 8 HB THR 422 HB THR 422 -10.774 -24.060 -5.454 9 HG1 THR 422 HG1 THR 422 -12.554 -22.408 -6.885 10 HG21 THR 422 HG21 THR 422 -12.491 -21.908 -4.203 11 HG22 THR 422 HG22 THR 422 -11.091 -22.659 -3.437 12 HG23 THR 422 HG23 THR 422 -12.516 -23.627 -3.811 13 H LYS 423 HN LYS 423 -8.226 -20.700 -6.392 14 HA LYS 423 HA LYS 423 -6.938 -21.176 -3.919 15 HB2 LYS 423 HB2 LYS 423 -5.127 -22.575 -4.503 16 HB3 LYS 423 HB1 LYS 423 -6.550 -23.391 -5.127 17 HG2 LYS 423 HG2 LYS 423 -5.345 -21.616 -7.083 18 HG3 LYS 423 HG1 LYS 423 -4.228 -22.854 -6.506 19 HD2 LYS 423 HD2 LYS 423 -6.984 -23.348 -7.633 20 HD3 LYS 423 HD1 LYS 423 -5.460 -23.599 -8.486 21 HE2 LYS 423 HE2 LYS 423 -6.376 -25.036 -5.997 22 HE3 LYS 423 HE1 LYS 423 -6.327 -25.700 -7.630 23 HZ1 LYS 423 HZ1 LYS 423 -4.267 -25.608 -5.708 24 HZ2 LYS 423 HZ2 LYS 423 -3.780 -24.718 -7.065 25 HZ3 LYS 423 HZ3 LYS 423 -4.255 -26.337 -7.241 26 H ALA 424 HN ALA 424 -5.183 -19.808 -3.625 27 HA ALA 424 HA ALA 424 -4.155 -18.336 -5.901 28 HB1 ALA 424 HB1 ALA 424 -4.688 -16.126 -4.897 29 HB2 ALA 424 HB2 ALA 424 -5.720 -16.952 -3.731 30 HB3 ALA 424 HB3 ALA 424 -6.106 -17.018 -5.450 31 H SER 425 HN SER 425 -4.319 -17.966 -2.330 32 HA SER 425 HA SER 425 -1.606 -18.722 -1.981 33 HG SER 425 HG SER 425 -0.190 -15.544 -1.039 34 HB2 SER 425 HB2 SER 425 -1.251 -16.526 -3.069 35 HB3 SER 425 HB1 SER 425 -2.185 -15.755 -1.790 36 H LYS 426 HN LYS 426 -3.995 -16.460 -0.559 37 HA LYS 426 HA LYS 426 -3.103 -17.134 2.067 38 HB2 LYS 426 HB2 LYS 426 -4.880 -15.580 2.836 39 HB3 LYS 426 HB1 LYS 426 -3.753 -14.879 1.688 40 HG2 LYS 426 HG2 LYS 426 -5.455 -15.281 -0.097 41 HG3 LYS 426 HG1 LYS 426 -6.582 -15.755 1.178 42 HD2 LYS 426 HD2 LYS 426 -6.350 -13.571 2.221 43 HD3 LYS 426 HD1 LYS 426 -5.166 -13.096 1.003 44 HE2 LYS 426 HE2 LYS 426 -6.941 -13.466 -0.729 45 HE3 LYS 426 HE1 LYS 426 -8.091 -13.689 0.588 46 HZ1 LYS 426 HZ1 LYS 426 -7.347 -11.305 -0.570 47 HZ2 LYS 426 HZ2 LYS 426 -6.583 -11.306 0.944 48 HZ3 LYS 426 HZ3 LYS 426 -8.261 -11.503 0.845 49 H SER 427 HN SER 427 -6.088 -17.859 0.254 50 HA SER 427 HA SER 427 -6.556 -20.212 1.777 51 HG SER 427 HG SER 427 -8.229 -20.651 3.104 52 HB2 SER 427 HB2 SER 427 -7.172 -18.394 3.435 53 HB3 SER 427 HB1 SER 427 -8.499 -17.968 2.354 54 H GLY 428 HN GLY 428 -6.515 -20.563 -0.635 55 HA2 GLY 428 HA2 GLY 428 -7.681 -21.303 -2.468 56 HA3 GLY 428 HA1 GLY 428 -9.142 -21.146 -1.504 57 H VAL 429 HN VAL 429 -10.574 -19.975 -2.562 58 HA VAL 429 HA VAL 429 -9.920 -18.048 -4.541 59 HB VAL 429 HB VAL 429 -12.056 -19.162 -4.657 60 HG11 VAL 429 HG11 VAL 429 -13.849 -18.594 -2.969 61 HG12 VAL 429 HG12 VAL 429 -12.558 -17.967 -1.944 62 HG13 VAL 429 HG13 VAL 429 -12.568 -19.669 -2.407 63 HG21 VAL 429 HG21 VAL 429 -11.965 -16.226 -4.355 64 HG22 VAL 429 HG22 VAL 429 -13.567 -16.964 -4.390 65 HG23 VAL 429 HG23 VAL 429 -12.451 -17.215 -5.734 66 HA PRO 430 HA PRO 430 -8.907 -14.843 -1.633 67 HB2 PRO 430 HB2 PRO 430 -8.167 -12.963 -3.408 68 HB3 PRO 430 HB1 PRO 430 -7.185 -14.401 -3.099 69 HG2 PRO 430 HG2 PRO 430 -9.074 -13.844 -5.351 70 HG3 PRO 430 HG1 PRO 430 -7.469 -14.597 -5.398 71 HD2 PRO 430 HD2 PRO 430 -9.810 -16.010 -5.450 72 HD3 PRO 430 HD1 PRO 430 -8.284 -16.656 -4.815 73 H VAL 431 HN VAL 431 -11.582 -14.983 -3.530 74 HA VAL 431 HA VAL 431 -13.425 -13.741 -3.961 75 HB VAL 431 HB VAL 431 -14.568 -12.828 -2.014 76 HG11 VAL 431 HG11 VAL 431 -13.496 -15.489 -2.236 77 HG12 VAL 431 HG12 VAL 431 -15.105 -14.960 -1.743 78 HG13 VAL 431 HG13 VAL 431 -13.810 -15.072 -0.550 79 HG21 VAL 431 HG21 VAL 431 -13.328 -11.813 -0.452 80 HG22 VAL 431 HG22 VAL 431 -11.874 -12.709 -0.890 81 HG23 VAL 431 HG23 VAL 431 -13.062 -13.433 0.195 82 H THR 432 HN THR 432 -11.254 -12.448 -4.940 83 HA THR 432 HA THR 432 -10.983 -9.772 -4.132 84 HB THR 432 HB THR 432 -10.481 -10.794 -6.926 85 HG1 THR 432 HG1 THR 432 -8.574 -11.656 -6.188 86 HG21 THR 432 HG21 THR 432 -8.491 -9.214 -6.635 87 HG22 THR 432 HG22 THR 432 -9.336 -8.596 -5.217 88 HG23 THR 432 HG23 THR 432 -10.080 -8.471 -6.809 89 H GLN 433 HN GLN 433 -12.013 -7.937 -4.701 90 HA GLN 433 HA GLN 433 -13.904 -7.920 -6.904 91 HB2 GLN 433 HB2 GLN 433 -15.281 -8.749 -5.075 92 HB3 GLN 433 HB1 GLN 433 -14.774 -7.409 -4.054 93 HG2 GLN 433 HG2 GLN 433 -15.841 -5.847 -5.628 94 HG3 GLN 433 HG1 GLN 433 -16.409 -7.224 -6.572 95 HE21 GLN 433 HE21 GLN 433 -18.499 -7.456 -6.259 96 HE22 GLN 433 HE22 GLN 433 -19.324 -7.339 -4.740 97 H THR 434 HN THR 434 -12.440 -6.187 -4.186 98 HA THR 434 HA THR 434 -12.991 -3.609 -5.364 99 HB THR 434 HB THR 434 -11.397 -2.844 -3.476 100 HG1 THR 434 HG1 THR 434 -12.055 -5.383 -2.392 101 HG21 THR 434 HG21 THR 434 -13.312 -2.335 -2.463 102 HG22 THR 434 HG22 THR 434 -13.573 -4.020 -2.013 103 HG23 THR 434 HG23 THR 434 -14.143 -3.423 -3.573 104 H GLN 435 HN GLN 435 -11.529 -5.290 -7.084 105 HA GLN 435 HA GLN 435 -9.224 -3.562 -7.501 106 HB2 GLN 435 HB2 GLN 435 -9.051 -6.584 -7.526 107 HB3 GLN 435 HB1 GLN 435 -7.830 -5.526 -8.218 108 HG2 GLN 435 HG2 GLN 435 -7.491 -4.520 -5.990 109 HG3 GLN 435 HG1 GLN 435 -8.643 -5.674 -5.325 110 HE21 GLN 435 HE21 GLN 435 -7.054 -7.225 -7.752 111 HE22 GLN 435 HE22 GLN 435 -5.783 -7.970 -6.837 112 H THR 436 HN THR 436 -10.393 -2.608 -9.115 113 HA THR 436 HA THR 436 -10.830 -4.241 -11.520 114 HB THR 436 HB THR 436 -12.758 -2.089 -10.650 115 HG1 THR 436 HG1 THR 436 -13.151 -3.530 -9.089 116 HG21 THR 436 HG21 THR 436 -12.454 -3.720 -12.976 117 HG22 THR 436 HG22 THR 436 -13.665 -2.482 -12.648 118 HG23 THR 436 HG23 THR 436 -13.960 -4.153 -12.167 119 H ALA 437 HN ALA 437 -10.374 -3.240 -13.432 120 HA ALA 437 HA ALA 437 -9.501 -1.771 -14.917 121 HB1 ALA 437 HB1 ALA 437 -11.406 -0.339 -13.679 122 HB2 ALA 437 HB2 ALA 437 -10.390 0.300 -14.972 123 HB3 ALA 437 HB3 ALA 437 -9.989 0.639 -13.289 124 H GLY 438 HN GLY 438 -7.707 -2.978 -13.264 125 HA2 GLY 438 HA2 GLY 438 -5.480 -2.850 -12.709 126 HA3 GLY 438 HA1 GLY 438 -5.447 -1.340 -13.608 127 H ALA 439 HN ALA 439 -7.091 -2.326 -10.612 128 HA ALA 439 HA ALA 439 -6.521 0.159 -9.320 129 HB1 ALA 439 HB1 ALA 439 -8.147 -0.548 -7.978 130 HB2 ALA 439 HB2 ALA 439 -7.131 -1.879 -7.423 131 HB3 ALA 439 HB3 ALA 439 -8.166 -2.090 -8.835 132 H ASP 440 HN ASP 440 -4.820 0.721 -8.075 133 HA ASP 440 HA ASP 440 -2.447 -0.790 -8.150 134 HB2 ASP 440 HB2 ASP 440 -3.243 1.582 -6.460 135 HB3 ASP 440 HB1 ASP 440 -1.637 0.869 -6.405 136 H THR 441 HN THR 441 -2.027 -2.594 -7.095 137 HA THR 441 HA THR 441 -3.509 -3.356 -4.756 138 HB THR 441 HB THR 441 -1.818 -5.311 -4.792 139 HG1 THR 441 HG1 THR 441 -0.263 -4.234 -6.131 140 HG21 THR 441 HG21 THR 441 -3.904 -4.679 -6.827 141 HG22 THR 441 HG22 THR 441 -3.898 -5.910 -5.564 142 HG23 THR 441 HG23 THR 441 -2.937 -6.140 -7.025 143 H THR 442 HN THR 442 -3.006 -2.903 -2.711 144 HA THR 442 HA THR 442 -0.285 -2.854 -1.797 145 HB THR 442 HB THR 442 -1.821 -0.269 -1.474 146 HG1 THR 442 HG1 THR 442 -0.397 -1.133 -3.616 147 HG21 THR 442 HG21 THR 442 0.127 -1.185 0.095 148 HG22 THR 442 HG22 THR 442 -0.029 0.526 -0.305 149 HG23 THR 442 HG23 THR 442 1.127 -0.482 -1.176 150 H ALA 443 HN ALA 443 -3.579 -1.736 -0.994 151 HA ALA 443 HA ALA 443 -4.889 -1.980 0.849 152 HB1 ALA 443 HB1 ALA 443 -5.298 -4.126 1.258 153 HB2 ALA 443 HB2 ALA 443 -3.701 -4.371 1.962 154 HB3 ALA 443 HB3 ALA 443 -3.929 -4.507 0.219 155 H GLU 444 HN GLU 444 -2.573 -0.405 1.113 156 HA GLU 444 HA GLU 444 -1.180 0.589 2.579 157 HB2 GLU 444 HB2 GLU 444 -3.381 -0.241 4.463 158 HB3 GLU 444 HB1 GLU 444 -2.053 0.808 4.936 159 HG2 GLU 444 HG2 GLU 444 -3.743 2.292 4.437 160 HG3 GLU 444 HG1 GLU 444 -2.782 2.271 2.959 161 H LYS 445 HN LYS 445 -0.515 -2.073 1.992 162 HA LYS 445 HA LYS 445 0.478 -3.299 4.415 163 HB2 LYS 445 HB2 LYS 445 0.026 -4.188 1.828 164 HB3 LYS 445 HB1 LYS 445 1.778 -4.085 1.911 165 HG2 LYS 445 HG2 LYS 445 0.034 -5.618 3.830 166 HG3 LYS 445 HG1 LYS 445 0.929 -6.314 2.481 167 HD2 LYS 445 HD2 LYS 445 2.150 -4.854 4.823 168 HD3 LYS 445 HD1 LYS 445 2.091 -6.605 4.629 169 HE2 LYS 445 HE2 LYS 445 3.427 -4.728 2.689 170 HE3 LYS 445 HE1 LYS 445 4.269 -5.563 3.993 171 HZ1 LYS 445 HZ1 LYS 445 3.186 -6.627 1.490 172 HZ2 LYS 445 HZ2 LYS 445 3.134 -7.633 2.857 173 HZ3 LYS 445 HZ3 LYS 445 4.617 -7.019 2.317 174 H CYS 446 HN CYS 446 1.563 -1.147 1.910 175 HA CYS 446 HA CYS 446 3.903 -0.422 3.490 176 HB2 CYS 446 HB2 CYS 446 3.985 -1.489 0.676 177 HB3 CYS 446 HB1 CYS 446 5.279 -0.517 1.357 178 H LYS 447 HN LYS 447 1.281 0.676 2.416 179 HA LYS 447 HA LYS 447 1.961 2.764 0.595 180 HB2 LYS 447 HB2 LYS 447 -0.325 1.938 0.709 181 HB3 LYS 447 HB1 LYS 447 -0.443 2.408 2.397 182 HG2 LYS 447 HG2 LYS 447 -1.617 3.997 1.038 183 HG3 LYS 447 HG1 LYS 447 -0.189 4.768 1.728 184 HD2 LYS 447 HD2 LYS 447 1.003 4.437 -0.395 185 HD3 LYS 447 HD1 LYS 447 -0.441 3.687 -1.081 186 HE2 LYS 447 HE2 LYS 447 -1.679 5.784 -0.696 187 HE3 LYS 447 HE1 LYS 447 -0.205 6.525 -0.076 188 HZ1 LYS 447 HZ1 LYS 447 0.649 6.759 -2.129 189 HZ2 LYS 447 HZ2 LYS 447 -0.979 6.707 -2.605 190 HZ3 LYS 447 HZ3 LYS 447 -0.019 5.314 -2.715 191 H GLY 448 HN GLY 448 3.115 4.484 1.068 192 HA2 GLY 448 HA2 GLY 448 3.738 6.425 2.165 193 HA3 GLY 448 HA1 GLY 448 2.627 6.016 3.463 194 H LYS 449 HN LYS 449 4.939 3.620 2.445 195 HA LYS 449 HA LYS 449 6.283 3.827 4.987 196 HB2 LYS 449 HB2 LYS 449 5.443 1.691 4.028 197 HB3 LYS 449 HB1 LYS 449 6.562 1.882 2.691 198 HG2 LYS 449 HG2 LYS 449 8.428 1.621 4.100 199 HG3 LYS 449 HG1 LYS 449 7.421 1.708 5.549 200 HD2 LYS 449 HD2 LYS 449 7.135 -0.418 3.437 201 HD3 LYS 449 HD1 LYS 449 8.118 -0.596 4.881 202 HE2 LYS 449 HE2 LYS 449 5.152 -0.083 4.816 203 HE3 LYS 449 HE1 LYS 449 5.928 -1.623 5.182 204 HZ1 LYS 449 HZ1 LYS 449 7.087 -0.282 7.035 205 HZ2 LYS 449 HZ2 LYS 449 5.472 -0.761 7.256 206 HZ3 LYS 449 HZ3 LYS 449 5.826 0.833 6.808 207 H GLY 450 HN GLY 450 8.418 4.473 5.199 208 HA2 GLY 450 HA2 GLY 450 9.546 6.062 3.113 209 HA3 GLY 450 HA1 GLY 450 10.313 5.668 4.644 210 H GLU 451 HN GLU 451 11.805 5.768 2.322 211 HA GLU 451 HA GLU 451 12.008 3.383 0.889 212 HB2 GLU 451 HB2 GLU 451 13.053 5.446 0.143 213 HB3 GLU 451 HB1 GLU 451 14.154 5.414 1.511 214 HG2 GLU 451 HG2 GLU 451 14.229 2.997 -0.129 215 HG3 GLU 451 HG1 GLU 451 14.691 4.463 -0.989 216 H LYS 452 HN LYS 452 13.513 4.299 3.957 217 HA LYS 452 HA LYS 452 15.207 1.991 4.020 218 HB2 LYS 452 HB2 LYS 452 14.396 3.638 6.412 219 HB3 LYS 452 HB1 LYS 452 15.845 2.665 6.215 220 HG2 LYS 452 HG2 LYS 452 15.195 5.321 4.989 221 HG3 LYS 452 HG1 LYS 452 16.566 4.877 6.003 222 HD2 LYS 452 HD2 LYS 452 16.078 3.896 3.194 223 HD3 LYS 452 HD1 LYS 452 17.192 5.186 3.645 224 HE2 LYS 452 HE2 LYS 452 18.544 3.642 4.901 225 HE3 LYS 452 HE1 LYS 452 17.376 2.345 4.634 226 HZ1 LYS 452 HZ1 LYS 452 19.246 3.579 2.723 227 HZ2 LYS 452 HZ2 LYS 452 17.831 2.829 2.158 228 HZ3 LYS 452 HZ3 LYS 452 18.975 1.937 3.046 229 H ASP 453 HN ASP 453 12.073 2.824 5.389 230 HA ASP 453 HA ASP 453 11.781 0.440 6.929 231 HB2 ASP 453 HB2 ASP 453 10.514 2.649 7.226 232 HB3 ASP 453 HB1 ASP 453 9.516 2.134 5.871 233 H CYS 454 HN CYS 454 10.819 1.466 3.706 234 HA CYS 454 HA CYS 454 9.341 -0.819 2.945 235 HB2 CYS 454 HB2 CYS 454 9.350 1.321 1.679 236 HB3 CYS 454 HB1 CYS 454 11.022 1.023 1.224 237 H LYS 455 HN LYS 455 10.082 -2.866 2.512 238 HA LYS 455 HA LYS 455 12.942 -3.136 1.867 239 HB2 LYS 455 HB2 LYS 455 12.950 -5.303 3.101 240 HB3 LYS 455 HB1 LYS 455 12.727 -3.894 4.127 241 HG2 LYS 455 HG2 LYS 455 10.255 -4.366 4.037 242 HG3 LYS 455 HG1 LYS 455 10.668 -5.906 3.279 243 HD2 LYS 455 HD2 LYS 455 10.396 -6.286 5.624 244 HD3 LYS 455 HD1 LYS 455 12.117 -6.398 5.254 245 HE2 LYS 455 HE2 LYS 455 11.746 -5.131 7.303 246 HE3 LYS 455 HE1 LYS 455 12.444 -4.111 6.045 247 HZ1 LYS 455 HZ1 LYS 455 10.562 -2.886 5.858 248 HZ2 LYS 455 HZ2 LYS 455 10.381 -3.345 7.477 249 HZ3 LYS 455 HZ3 LYS 455 9.527 -4.170 6.264 250 H SER 456 HN SER 456 13.428 -4.298 0.160 251 HA SER 456 HA SER 456 11.604 -4.643 -1.822 252 HG SER 456 HG SER 456 14.603 -3.963 -1.324 253 HB2 SER 456 HB2 SER 456 14.215 -6.150 -1.579 254 HB3 SER 456 HB1 SER 456 13.339 -5.815 -3.075 255 HA PRO 457 HA PRO 457 11.399 -9.478 -1.099 256 HB2 PRO 457 HB2 PRO 457 11.485 -10.139 1.581 257 HB3 PRO 457 HB1 PRO 457 12.835 -10.329 0.457 258 HG2 PRO 457 HG2 PRO 457 12.287 -8.132 2.410 259 HG3 PRO 457 HG1 PRO 457 13.824 -8.922 2.014 260 HD2 PRO 457 HD2 PRO 457 13.218 -6.511 1.033 261 HD3 PRO 457 HD1 PRO 457 14.084 -7.712 0.050 262 H ASP 458 HN ASP 458 10.278 -7.016 1.086 263 HA ASP 458 HA ASP 458 7.762 -8.402 1.565 264 HB2 ASP 458 HB2 ASP 458 8.818 -7.365 3.481 265 HB3 ASP 458 HB1 ASP 458 8.871 -5.811 2.657 266 H CYS 459 HN CYS 459 8.922 -5.335 0.150 267 HA CYS 459 HA CYS 459 6.545 -5.273 -1.543 268 HB2 CYS 459 HB2 CYS 459 7.303 -3.041 0.344 269 HB3 CYS 459 HB1 CYS 459 6.192 -2.843 -1.002 270 H LYS 460 HN LYS 460 6.733 -3.781 -3.318 271 HA LYS 460 HA LYS 460 9.501 -3.540 -4.214 272 HB2 LYS 460 HB2 LYS 460 7.087 -2.774 -5.831 273 HB3 LYS 460 HB1 LYS 460 8.643 -3.373 -6.388 274 HG2 LYS 460 HG2 LYS 460 6.650 -5.029 -4.859 275 HG3 LYS 460 HG1 LYS 460 6.767 -4.989 -6.619 276 HD2 LYS 460 HD2 LYS 460 8.963 -5.912 -6.569 277 HD3 LYS 460 HD1 LYS 460 9.064 -5.727 -4.816 278 HE2 LYS 460 HE2 LYS 460 8.614 -8.057 -5.542 279 HE3 LYS 460 HE1 LYS 460 7.373 -7.394 -4.484 280 HZ1 LYS 460 HZ1 LYS 460 6.886 -8.627 -6.817 281 HZ2 LYS 460 HZ2 LYS 460 6.874 -7.003 -7.303 282 HZ3 LYS 460 HZ3 LYS 460 5.827 -7.528 -6.078 283 H TRP 461 HN TRP 461 10.583 -1.671 -3.978 284 HA TRP 461 HA TRP 461 9.164 0.791 -3.375 285 HD1 TRP 461 HD1 TRP 461 13.019 2.736 -4.349 286 HE1 TRP 461 HE1 TRP 461 12.748 5.073 -3.314 287 HE3 TRP 461 HE3 TRP 461 9.349 1.690 -0.970 288 HZ2 TRP 461 HZ2 TRP 461 11.172 6.299 -1.311 289 HZ3 TRP 461 HZ3 TRP 461 8.520 3.492 0.459 290 HH2 TRP 461 HH2 TRP 461 9.404 5.753 0.292 291 HB2 TRP 461 HB2 TRP 461 11.343 0.196 -2.273 292 HB3 TRP 461 HB1 TRP 461 12.128 0.386 -3.839 293 H GLU 462 HN GLU 462 8.360 2.008 -4.944 294 HA GLU 462 HA GLU 462 9.189 1.588 -7.671 295 HB2 GLU 462 HB2 GLU 462 6.806 1.896 -6.921 296 HB3 GLU 462 HB1 GLU 462 7.188 3.582 -6.609 297 HG2 GLU 462 HG2 GLU 462 7.530 4.035 -8.892 298 HG3 GLU 462 HG1 GLU 462 7.579 2.319 -9.300 299 H GLY 463 HN GLY 463 9.457 4.116 -5.254 300 HA2 GLY 463 HA2 GLY 463 11.836 5.182 -6.067 301 HA3 GLY 463 HA1 GLY 463 10.636 6.061 -7.005 302 H GLY 464 HN GLY 464 8.586 6.275 -5.262 303 HA2 GLY 464 HA2 GLY 464 9.706 7.567 -2.860 304 HA3 GLY 464 HA1 GLY 464 8.509 8.392 -3.848 305 H THR 465 HN THR 465 7.535 5.415 -4.243 306 HA THR 465 HA THR 465 6.026 5.255 -1.738 307 HB THR 465 HB THR 465 4.835 4.712 -4.430 308 HG1 THR 465 HG1 THR 465 3.903 6.750 -4.312 309 HG21 THR 465 HG21 THR 465 4.013 4.138 -1.802 310 HG22 THR 465 HG22 THR 465 3.088 3.948 -3.290 311 HG23 THR 465 HG23 THR 465 2.988 5.453 -2.380 312 H CYS 466 HN CYS 466 5.791 3.279 -0.897 313 HA CYS 466 HA CYS 466 7.214 1.078 -2.181 314 HB2 CYS 466 HB2 CYS 466 7.590 1.797 0.225 315 HB3 CYS 466 HB1 CYS 466 5.975 1.204 0.579 316 H LYS 467 HN LYS 467 6.121 -0.391 -3.339 317 HA LYS 467 HA LYS 467 3.204 -0.527 -3.012 318 HB2 LYS 467 HB2 LYS 467 4.907 -1.499 -5.317 319 HB3 LYS 467 HB1 LYS 467 3.152 -1.427 -5.276 320 HG2 LYS 467 HG2 LYS 467 5.035 0.921 -5.212 321 HG3 LYS 467 HG1 LYS 467 4.050 0.401 -6.581 322 HD2 LYS 467 HD2 LYS 467 2.018 0.857 -5.304 323 HD3 LYS 467 HD1 LYS 467 2.990 1.344 -3.915 324 HE2 LYS 467 HE2 LYS 467 2.252 3.321 -5.056 325 HE3 LYS 467 HE1 LYS 467 3.986 3.140 -5.307 326 HZ1 LYS 467 HZ1 LYS 467 3.718 2.887 -7.504 327 HZ2 LYS 467 HZ2 LYS 467 2.197 3.593 -7.254 328 HZ3 LYS 467 HZ3 LYS 467 2.340 1.904 -7.339 329 H ASP 468 HN ASP 468 2.177 -2.360 -2.439 330 HA ASP 468 HA ASP 468 3.750 -4.575 -1.462 331 HB2 ASP 468 HB2 ASP 468 1.794 -3.827 -0.195 332 HB3 ASP 468 HB1 ASP 468 0.749 -4.184 -1.568 Start of MODEL 13 1 H1 GLY 421 HT1 GLY 421 -4.572 -16.230 -25.926 2 H2 GLY 421 HT2 GLY 421 -3.436 -15.020 -25.587 3 H3 GLY 421 HT3 GLY 421 -4.068 -15.169 -27.154 4 HA2 GLY 421 HA1 GLY 421 -6.331 -14.809 -25.954 5 HA3 GLY 421 HA2 GLY 421 -5.304 -14.064 -24.733 6 H THR 422 HN THR 422 -7.320 -13.072 -26.805 7 HA THR 422 HA THR 422 -5.889 -11.453 -28.650 8 HB THR 422 HB THR 422 -8.663 -10.842 -27.647 9 HG1 THR 422 HG1 THR 422 -8.745 -13.028 -28.101 10 HG21 THR 422 HG21 THR 422 -9.021 -9.910 -29.779 11 HG22 THR 422 HG22 THR 422 -7.604 -10.709 -30.460 12 HG23 THR 422 HG23 THR 422 -7.404 -9.373 -29.326 13 H LYS 423 HN LYS 423 -7.092 -10.991 -25.392 14 HA LYS 423 HA LYS 423 -5.852 -8.319 -25.342 15 HB2 LYS 423 HB2 LYS 423 -8.091 -9.442 -23.649 16 HB3 LYS 423 HB1 LYS 423 -7.304 -7.900 -23.345 17 HG2 LYS 423 HG2 LYS 423 -8.765 -8.598 -25.884 18 HG3 LYS 423 HG1 LYS 423 -9.462 -7.695 -24.535 19 HD2 LYS 423 HD2 LYS 423 -7.018 -6.863 -26.098 20 HD3 LYS 423 HD1 LYS 423 -8.647 -6.236 -26.360 21 HE2 LYS 423 HE2 LYS 423 -8.684 -5.374 -24.076 22 HE3 LYS 423 HE1 LYS 423 -7.069 -6.023 -23.798 23 HZ1 LYS 423 HZ1 LYS 423 -7.323 -3.563 -24.420 24 HZ2 LYS 423 HZ2 LYS 423 -7.560 -4.122 -26.001 25 HZ3 LYS 423 HZ3 LYS 423 -6.111 -4.464 -25.187 26 H ALA 424 HN ALA 424 -4.143 -10.370 -25.179 27 HA ALA 424 HA ALA 424 -3.055 -10.105 -22.534 28 HB1 ALA 424 HB1 ALA 424 -4.740 -12.313 -23.034 29 HB2 ALA 424 HB2 ALA 424 -3.725 -12.015 -21.623 30 HB3 ALA 424 HB3 ALA 424 -3.087 -12.926 -22.992 31 H SER 425 HN SER 425 -0.896 -10.304 -22.568 32 HA SER 425 HA SER 425 0.590 -11.885 -24.363 33 HG SER 425 HG SER 425 1.449 -10.445 -27.008 34 HB2 SER 425 HB2 SER 425 -0.300 -10.082 -25.925 35 HB3 SER 425 HB1 SER 425 0.664 -8.925 -25.005 36 H LYS 426 HN LYS 426 2.533 -9.377 -24.366 37 HA LYS 426 HA LYS 426 3.978 -10.079 -22.017 38 HB2 LYS 426 HB2 LYS 426 4.688 -8.828 -24.272 39 HB3 LYS 426 HB1 LYS 426 4.351 -7.403 -23.301 40 HG2 LYS 426 HG2 LYS 426 6.251 -9.588 -22.479 41 HG3 LYS 426 HG1 LYS 426 6.735 -8.121 -23.326 42 HD2 LYS 426 HD2 LYS 426 5.333 -8.165 -20.656 43 HD3 LYS 426 HD1 LYS 426 7.081 -8.035 -20.863 44 HE2 LYS 426 HE2 LYS 426 6.752 -5.965 -22.150 45 HE3 LYS 426 HE1 LYS 426 5.012 -6.092 -21.891 46 HZ1 LYS 426 HZ1 LYS 426 6.726 -6.150 -19.527 47 HZ2 LYS 426 HZ2 LYS 426 5.189 -5.468 -19.734 48 HZ3 LYS 426 HZ3 LYS 426 6.561 -4.662 -20.323 49 H SER 427 HN SER 427 1.835 -7.431 -22.911 50 HA SER 427 HA SER 427 1.863 -6.243 -20.279 51 HG SER 427 HG SER 427 -0.838 -4.254 -21.406 52 HB2 SER 427 HB2 SER 427 1.530 -4.879 -22.333 53 HB3 SER 427 HB1 SER 427 0.013 -5.731 -22.624 54 H GLY 428 HN GLY 428 0.183 -6.300 -18.799 55 HA2 GLY 428 HA2 GLY 428 -2.148 -7.951 -19.340 56 HA3 GLY 428 HA1 GLY 428 -1.087 -8.516 -18.051 57 H VAL 429 HN VAL 429 -0.385 -6.588 -16.573 58 HA VAL 429 HA VAL 429 -2.810 -5.070 -15.858 59 HB VAL 429 HB VAL 429 -0.332 -5.547 -14.181 60 HG11 VAL 429 HG11 VAL 429 -2.213 -3.532 -13.976 61 HG12 VAL 429 HG12 VAL 429 -1.112 -4.068 -12.709 62 HG13 VAL 429 HG13 VAL 429 -2.746 -4.728 -12.794 63 HG21 VAL 429 HG21 VAL 429 -1.823 -7.555 -14.639 64 HG22 VAL 429 HG22 VAL 429 -3.059 -6.720 -13.700 65 HG23 VAL 429 HG23 VAL 429 -1.525 -7.160 -12.946 66 HA PRO 430 HA PRO 430 -0.440 -1.849 -17.890 67 HB2 PRO 430 HB2 PRO 430 -2.791 -0.170 -17.402 68 HB3 PRO 430 HB1 PRO 430 -2.081 -0.681 -18.935 69 HG2 PRO 430 HG2 PRO 430 -4.451 -1.627 -18.053 70 HG3 PRO 430 HG1 PRO 430 -3.339 -2.605 -19.029 71 HD2 PRO 430 HD2 PRO 430 -3.815 -2.649 -16.074 72 HD3 PRO 430 HD1 PRO 430 -3.568 -4.006 -17.196 73 H VAL 431 HN VAL 431 1.077 -0.803 -16.817 74 HA VAL 431 HA VAL 431 0.579 0.285 -14.168 75 HB VAL 431 HB VAL 431 2.977 0.847 -14.150 76 HG11 VAL 431 HG11 VAL 431 3.518 -1.779 -14.923 77 HG12 VAL 431 HG12 VAL 431 1.838 -1.789 -14.386 78 HG13 VAL 431 HG13 VAL 431 3.108 -1.206 -13.307 79 HG21 VAL 431 HG21 VAL 431 4.434 0.460 -15.933 80 HG22 VAL 431 HG22 VAL 431 3.024 1.190 -16.701 81 HG23 VAL 431 HG23 VAL 431 3.270 -0.553 -16.786 82 H THR 432 HN THR 432 -0.864 1.467 -16.303 83 HA THR 432 HA THR 432 0.246 3.903 -17.198 84 HB THR 432 HB THR 432 -2.682 3.284 -16.767 85 HG1 THR 432 HG1 THR 432 -2.645 2.304 -18.768 86 HG21 THR 432 HG21 THR 432 -3.137 5.141 -17.940 87 HG22 THR 432 HG22 THR 432 -1.882 4.796 -19.131 88 HG23 THR 432 HG23 THR 432 -1.464 5.606 -17.621 89 H GLN 433 HN GLN 433 0.252 5.917 -16.316 90 HA GLN 433 HA GLN 433 -0.144 6.182 -13.486 91 HB2 GLN 433 HB2 GLN 433 0.446 8.274 -15.588 92 HB3 GLN 433 HB1 GLN 433 0.497 8.544 -13.853 93 HG2 GLN 433 HG2 GLN 433 2.260 6.768 -13.726 94 HG3 GLN 433 HG1 GLN 433 2.298 6.784 -15.490 95 HE21 GLN 433 HE21 GLN 433 3.792 7.923 -12.843 96 HE22 GLN 433 HE22 GLN 433 4.487 9.379 -13.478 97 H THR 434 HN THR 434 -2.470 5.390 -14.063 98 HA THR 434 HA THR 434 -4.265 7.597 -13.625 99 HB THR 434 HB THR 434 -4.753 5.871 -16.067 100 HG1 THR 434 HG1 THR 434 -3.351 8.259 -15.775 101 HG21 THR 434 HG21 THR 434 -6.787 6.691 -15.088 102 HG22 THR 434 HG22 THR 434 -6.456 7.632 -16.543 103 HG23 THR 434 HG23 THR 434 -6.121 8.318 -14.954 104 H GLN 435 HN GLN 435 -3.956 4.184 -14.530 105 HA GLN 435 HA GLN 435 -6.302 3.430 -13.022 106 HB2 GLN 435 HB2 GLN 435 -4.253 1.763 -14.491 107 HB3 GLN 435 HB1 GLN 435 -5.745 1.150 -13.791 108 HG2 GLN 435 HG2 GLN 435 -7.068 2.379 -15.325 109 HG3 GLN 435 HG1 GLN 435 -5.669 3.284 -15.900 110 HE21 GLN 435 HE21 GLN 435 -7.722 0.895 -16.681 111 HE22 GLN 435 HE22 GLN 435 -6.727 -0.012 -17.771 112 H THR 436 HN THR 436 -4.488 4.645 -11.367 113 HA THR 436 HA THR 436 -3.396 2.401 -9.797 114 HB THR 436 HB THR 436 -2.490 5.254 -9.467 115 HG1 THR 436 HG1 THR 436 -1.748 3.365 -11.451 116 HG21 THR 436 HG21 THR 436 -0.356 4.009 -8.850 117 HG22 THR 436 HG22 THR 436 -1.332 2.540 -8.858 118 HG23 THR 436 HG23 THR 436 -1.710 3.843 -7.732 119 H ALA 437 HN ALA 437 -6.088 3.071 -9.686 120 HA ALA 437 HA ALA 437 -6.655 4.851 -7.523 121 HB1 ALA 437 HB1 ALA 437 -8.352 4.599 -9.144 122 HB2 ALA 437 HB2 ALA 437 -8.951 3.803 -7.689 123 HB3 ALA 437 HB3 ALA 437 -8.312 2.840 -9.021 124 H GLY 438 HN GLY 438 -7.190 4.384 -5.425 125 HA2 GLY 438 HA2 GLY 438 -6.207 1.833 -4.398 126 HA3 GLY 438 HA1 GLY 438 -6.672 3.235 -3.441 127 H ALA 439 HN ALA 439 -8.416 1.379 -5.910 128 HA ALA 439 HA ALA 439 -10.787 1.368 -4.253 129 HB1 ALA 439 HB1 ALA 439 -11.851 1.309 -6.197 130 HB2 ALA 439 HB2 ALA 439 -11.046 -0.191 -6.653 131 HB3 ALA 439 HB3 ALA 439 -10.282 1.359 -7.003 132 H ASP 440 HN ASP 440 -9.181 -0.005 -2.782 133 HA ASP 440 HA ASP 440 -8.807 -1.956 -1.680 134 HB2 ASP 440 HB2 ASP 440 -11.338 -2.077 -1.874 135 HB3 ASP 440 HB1 ASP 440 -11.098 -3.125 -3.267 136 H THR 441 HN THR 441 -7.265 -1.469 -3.928 137 HA THR 441 HA THR 441 -7.058 -3.821 -5.559 138 HB THR 441 HB THR 441 -4.991 -1.655 -5.087 139 HG1 THR 441 HG1 THR 441 -7.146 -1.872 -6.951 140 HG21 THR 441 HG21 THR 441 -5.015 -4.081 -6.671 141 HG22 THR 441 HG22 THR 441 -3.688 -2.969 -6.339 142 HG23 THR 441 HG23 THR 441 -4.787 -2.653 -7.680 143 H THR 442 HN THR 442 -5.530 -2.523 -2.684 144 HA THR 442 HA THR 442 -4.716 -5.177 -1.861 145 HB THR 442 HB THR 442 -2.628 -2.986 -1.889 146 HG1 THR 442 HG1 THR 442 -3.078 -5.067 -3.794 147 HG21 THR 442 HG21 THR 442 -1.599 -5.648 -1.940 148 HG22 THR 442 HG22 THR 442 -2.799 -5.521 -0.654 149 HG23 THR 442 HG23 THR 442 -1.423 -4.416 -0.687 150 H ALA 443 HN ALA 443 -4.132 -5.191 0.461 151 HA ALA 443 HA ALA 443 -5.750 -3.511 2.043 152 HB1 ALA 443 HB1 ALA 443 -3.728 -4.501 3.707 153 HB2 ALA 443 HB2 ALA 443 -3.977 -5.733 2.469 154 HB3 ALA 443 HB3 ALA 443 -5.335 -5.178 3.450 155 H GLU 444 HN GLU 444 -2.499 -3.279 0.915 156 HA GLU 444 HA GLU 444 -1.002 -1.609 0.831 157 HB2 GLU 444 HB2 GLU 444 -3.267 0.085 1.876 158 HB3 GLU 444 HB1 GLU 444 -1.742 0.707 1.259 159 HG2 GLU 444 HG2 GLU 444 -2.268 -0.466 -0.901 160 HG3 GLU 444 HG1 GLU 444 -3.879 -0.766 -0.249 161 H LYS 445 HN LYS 445 -0.244 -3.068 2.651 162 HA LYS 445 HA LYS 445 -0.009 -1.665 5.213 163 HB2 LYS 445 HB2 LYS 445 1.433 -4.189 4.398 164 HB3 LYS 445 HB1 LYS 445 1.146 -3.587 6.023 165 HG2 LYS 445 HG2 LYS 445 -0.650 -4.870 6.147 166 HG3 LYS 445 HG1 LYS 445 -1.384 -3.931 4.844 167 HD2 LYS 445 HD2 LYS 445 -1.332 -6.341 4.345 168 HD3 LYS 445 HD1 LYS 445 -0.396 -5.395 3.187 169 HE2 LYS 445 HE2 LYS 445 1.658 -5.963 4.449 170 HE3 LYS 445 HE1 LYS 445 0.689 -6.982 5.513 171 HZ1 LYS 445 HZ1 LYS 445 1.071 -7.349 2.587 172 HZ2 LYS 445 HZ2 LYS 445 0.060 -8.301 3.563 173 HZ3 LYS 445 HZ3 LYS 445 1.737 -8.310 3.817 174 H CYS 446 HN CYS 446 1.625 -2.311 2.239 175 HA CYS 446 HA CYS 446 4.212 -1.409 3.113 176 HB2 CYS 446 HB2 CYS 446 3.123 -1.923 0.339 177 HB3 CYS 446 HB1 CYS 446 4.810 -1.599 0.719 178 H LYS 447 HN LYS 447 1.456 -0.098 1.431 179 HA LYS 447 HA LYS 447 2.435 2.079 0.175 180 HB2 LYS 447 HB2 LYS 447 0.073 1.397 0.149 181 HB3 LYS 447 HB1 LYS 447 -0.118 2.016 1.784 182 HG2 LYS 447 HG2 LYS 447 -0.992 3.665 0.362 183 HG3 LYS 447 HG1 LYS 447 0.581 4.267 0.886 184 HD2 LYS 447 HD2 LYS 447 0.549 4.706 -1.411 185 HD3 LYS 447 HD1 LYS 447 1.482 3.213 -1.277 186 HE2 LYS 447 HE2 LYS 447 -0.111 3.062 -3.107 187 HE3 LYS 447 HE1 LYS 447 -0.527 1.920 -1.829 188 HZ1 LYS 447 HZ1 LYS 447 -2.403 3.054 -1.296 189 HZ2 LYS 447 HZ2 LYS 447 -2.311 3.511 -2.928 190 HZ3 LYS 447 HZ3 LYS 447 -1.760 4.565 -1.722 191 H GLY 448 HN GLY 448 3.581 3.777 0.711 192 HA2 GLY 448 HA2 GLY 448 4.456 5.549 1.855 193 HA3 GLY 448 HA1 GLY 448 2.939 5.572 2.738 194 H LYS 449 HN LYS 449 5.214 2.869 2.812 195 HA LYS 449 HA LYS 449 5.370 3.197 5.681 196 HB2 LYS 449 HB2 LYS 449 6.249 1.024 5.807 197 HB3 LYS 449 HB1 LYS 449 5.057 0.965 4.523 198 HG2 LYS 449 HG2 LYS 449 6.832 1.075 2.858 199 HG3 LYS 449 HG1 LYS 449 8.034 1.132 4.152 200 HD2 LYS 449 HD2 LYS 449 6.103 -1.120 3.586 201 HD3 LYS 449 HD1 LYS 449 7.845 -1.138 3.316 202 HE2 LYS 449 HE2 LYS 449 8.244 -0.929 5.697 203 HE3 LYS 449 HE1 LYS 449 6.515 -0.796 5.999 204 HZ1 LYS 449 HZ1 LYS 449 6.209 -3.001 5.771 205 HZ2 LYS 449 HZ2 LYS 449 7.846 -3.068 6.203 206 HZ3 LYS 449 HZ3 LYS 449 7.396 -3.179 4.573 207 H GLY 450 HN GLY 450 7.276 4.028 2.972 208 HA2 GLY 450 HA2 GLY 450 8.956 5.688 3.205 209 HA3 GLY 450 HA1 GLY 450 9.328 5.055 4.794 210 H GLU 451 HN GLU 451 11.097 5.651 2.595 211 HA GLU 451 HA GLU 451 11.856 3.381 1.155 212 HB2 GLU 451 HB2 GLU 451 12.496 5.678 0.568 213 HB3 GLU 451 HB1 GLU 451 13.542 5.752 1.978 214 HG2 GLU 451 HG2 GLU 451 15.024 4.154 1.072 215 HG3 GLU 451 HG1 GLU 451 13.900 3.744 -0.225 216 H LYS 452 HN LYS 452 13.038 4.617 4.252 217 HA LYS 452 HA LYS 452 14.896 2.407 4.561 218 HB2 LYS 452 HB2 LYS 452 14.131 4.644 6.443 219 HB3 LYS 452 HB1 LYS 452 15.369 3.439 6.773 220 HG2 LYS 452 HG2 LYS 452 16.646 4.222 4.843 221 HG3 LYS 452 HG1 LYS 452 15.400 5.426 4.510 222 HD2 LYS 452 HD2 LYS 452 15.826 6.486 6.655 223 HD3 LYS 452 HD1 LYS 452 17.038 5.261 7.037 224 HE2 LYS 452 HE2 LYS 452 18.395 5.991 5.161 225 HE3 LYS 452 HE1 LYS 452 17.165 7.170 4.708 226 HZ1 LYS 452 HZ1 LYS 452 18.845 7.169 7.150 227 HZ2 LYS 452 HZ2 LYS 452 17.504 8.185 6.943 228 HZ3 LYS 452 HZ3 LYS 452 18.833 8.313 5.896 229 H ASP 453 HN ASP 453 12.321 1.587 4.182 230 HA ASP 453 HA ASP 453 11.863 -0.028 6.527 231 HB2 ASP 453 HB2 ASP 453 10.634 2.197 6.896 232 HB3 ASP 453 HB1 ASP 453 9.589 1.713 5.562 233 H CYS 454 HN CYS 454 10.828 1.089 3.371 234 HA CYS 454 HA CYS 454 9.284 -1.210 2.702 235 HB2 CYS 454 HB2 CYS 454 9.022 1.109 1.742 236 HB3 CYS 454 HB1 CYS 454 10.498 0.830 0.827 237 H LYS 455 HN LYS 455 10.973 -2.796 3.352 238 HA LYS 455 HA LYS 455 13.350 -3.102 1.819 239 HB2 LYS 455 HB2 LYS 455 11.822 -5.130 3.468 240 HB3 LYS 455 HB1 LYS 455 13.453 -5.348 2.849 241 HG2 LYS 455 HG2 LYS 455 14.235 -3.482 4.201 242 HG3 LYS 455 HG1 LYS 455 12.596 -3.222 4.800 243 HD2 LYS 455 HD2 LYS 455 12.613 -5.467 5.785 244 HD3 LYS 455 HD1 LYS 455 14.264 -5.701 5.206 245 HE2 LYS 455 HE2 LYS 455 15.005 -3.807 6.567 246 HE3 LYS 455 HE1 LYS 455 13.355 -3.576 7.143 247 HZ1 LYS 455 HZ1 LYS 455 14.785 -6.138 7.511 248 HZ2 LYS 455 HZ2 LYS 455 13.416 -5.566 8.335 249 HZ3 LYS 455 HZ3 LYS 455 14.934 -4.866 8.624 250 H SER 456 HN SER 456 13.690 -4.098 -0.069 251 HA SER 456 HA SER 456 11.731 -4.259 -1.918 252 HG SER 456 HG SER 456 14.734 -3.720 -1.586 253 HB2 SER 456 HB2 SER 456 14.273 -5.902 -1.994 254 HB3 SER 456 HB1 SER 456 13.306 -5.409 -3.384 255 HA PRO 457 HA PRO 457 11.314 -9.108 -1.607 256 HB2 PRO 457 HB2 PRO 457 11.717 -10.092 0.936 257 HB3 PRO 457 HB1 PRO 457 12.908 -10.174 -0.365 258 HG2 PRO 457 HG2 PRO 457 12.695 -8.229 1.894 259 HG3 PRO 457 HG1 PRO 457 14.140 -8.998 1.209 260 HD2 PRO 457 HD2 PRO 457 13.492 -6.464 0.619 261 HD3 PRO 457 HD1 PRO 457 14.214 -7.543 -0.593 262 H ASP 458 HN ASP 458 10.712 -7.005 1.109 263 HA ASP 458 HA ASP 458 8.209 -8.257 1.806 264 HB2 ASP 458 HB2 ASP 458 9.646 -7.317 3.547 265 HB3 ASP 458 HB1 ASP 458 9.525 -5.726 2.806 266 H CYS 459 HN CYS 459 9.256 -5.205 0.298 267 HA CYS 459 HA CYS 459 6.596 -4.887 -0.873 268 HB2 CYS 459 HB2 CYS 459 7.912 -2.776 0.851 269 HB3 CYS 459 HB1 CYS 459 6.404 -2.584 -0.037 270 H LYS 460 HN LYS 460 6.602 -3.569 -2.745 271 HA LYS 460 HA LYS 460 9.254 -3.200 -3.881 272 HB2 LYS 460 HB2 LYS 460 7.342 -4.187 -5.203 273 HB3 LYS 460 HB1 LYS 460 6.601 -2.591 -5.187 274 HG2 LYS 460 HG2 LYS 460 9.165 -2.092 -6.067 275 HG3 LYS 460 HG1 LYS 460 8.755 -3.626 -6.835 276 HD2 LYS 460 HD2 LYS 460 7.064 -1.128 -6.941 277 HD3 LYS 460 HD1 LYS 460 8.165 -1.659 -8.213 278 HE2 LYS 460 HE2 LYS 460 6.865 -3.772 -8.366 279 HE3 LYS 460 HE1 LYS 460 5.716 -3.103 -7.208 280 HZ1 LYS 460 HZ1 LYS 460 5.930 -2.643 -10.010 281 HZ2 LYS 460 HZ2 LYS 460 5.976 -1.179 -9.149 282 HZ3 LYS 460 HZ3 LYS 460 4.669 -2.246 -8.948 283 H TRP 461 HN TRP 461 10.283 -1.338 -4.013 284 HA TRP 461 HA TRP 461 8.878 1.129 -3.253 285 HD1 TRP 461 HD1 TRP 461 12.710 3.088 -4.148 286 HE1 TRP 461 HE1 TRP 461 12.456 5.397 -3.030 287 HE3 TRP 461 HE3 TRP 461 9.079 1.938 -0.765 288 HZ2 TRP 461 HZ2 TRP 461 10.890 6.562 -0.960 289 HZ3 TRP 461 HZ3 TRP 461 8.246 3.693 0.721 290 HH2 TRP 461 HH2 TRP 461 9.129 5.963 0.626 291 HB2 TRP 461 HB2 TRP 461 11.054 0.493 -2.123 292 HB3 TRP 461 HB1 TRP 461 11.847 0.728 -3.675 293 H GLU 462 HN GLU 462 7.994 2.128 -4.939 294 HA GLU 462 HA GLU 462 8.965 1.682 -7.613 295 HB2 GLU 462 HB2 GLU 462 6.514 1.897 -6.840 296 HB3 GLU 462 HB1 GLU 462 6.808 3.629 -6.809 297 HG2 GLU 462 HG2 GLU 462 5.755 3.066 -8.872 298 HG3 GLU 462 HG1 GLU 462 7.426 3.526 -9.200 299 H GLY 463 HN GLY 463 10.988 2.861 -6.286 300 HA2 GLY 463 HA2 GLY 463 12.488 4.591 -6.380 301 HA3 GLY 463 HA1 GLY 463 11.701 5.014 -7.892 302 H GLY 464 HN GLY 464 10.258 5.030 -4.669 303 HA2 GLY 464 HA2 GLY 464 10.516 7.509 -3.731 304 HA3 GLY 464 HA1 GLY 464 9.449 7.791 -5.099 305 H THR 465 HN THR 465 7.986 5.380 -4.917 306 HA THR 465 HA THR 465 6.501 5.824 -2.420 307 HB THR 465 HB THR 465 5.357 5.057 -5.083 308 HG1 THR 465 HG1 THR 465 6.056 7.158 -5.274 309 HG21 THR 465 HG21 THR 465 4.003 6.023 -2.572 310 HG22 THR 465 HG22 THR 465 4.043 4.349 -3.124 311 HG23 THR 465 HG23 THR 465 3.210 5.573 -4.082 312 H CYS 466 HN CYS 466 6.129 4.076 -1.175 313 HA CYS 466 HA CYS 466 6.988 1.456 -2.100 314 HB2 CYS 466 HB2 CYS 466 7.405 2.300 0.255 315 HB3 CYS 466 HB1 CYS 466 5.675 2.152 0.536 316 H LYS 467 HN LYS 467 5.667 -0.224 -2.611 317 HA LYS 467 HA LYS 467 2.787 0.103 -2.237 318 HB2 LYS 467 HB2 LYS 467 2.428 -0.668 -4.620 319 HB3 LYS 467 HB1 LYS 467 3.004 0.980 -4.421 320 HG2 LYS 467 HG2 LYS 467 5.241 0.320 -5.016 321 HG3 LYS 467 HG1 LYS 467 4.754 -1.373 -5.091 322 HD2 LYS 467 HD2 LYS 467 4.922 -0.374 -7.324 323 HD3 LYS 467 HD1 LYS 467 3.275 -0.884 -6.963 324 HE2 LYS 467 HE2 LYS 467 4.064 1.930 -6.376 325 HE3 LYS 467 HE1 LYS 467 3.782 1.465 -8.052 326 HZ1 LYS 467 HZ1 LYS 467 1.730 0.592 -6.212 327 HZ2 LYS 467 HZ2 LYS 467 1.586 1.339 -7.725 328 HZ3 LYS 467 HZ3 LYS 467 1.870 2.280 -6.340 329 H ASP 468 HN ASP 468 1.689 -1.746 -1.989 330 HA ASP 468 HA ASP 468 3.133 -4.029 -1.163 331 HB2 ASP 468 HB2 ASP 468 0.174 -3.763 -1.744 332 HB3 ASP 468 HB1 ASP 468 0.929 -5.060 -0.829 Start of MODEL 14 1 H1 GLY 421 HT1 GLY 421 -51.247 6.998 -10.984 2 H2 GLY 421 HT2 GLY 421 -51.680 6.492 -12.544 3 H3 GLY 421 HT3 GLY 421 -51.762 8.137 -12.132 4 HA2 GLY 421 HA1 GLY 421 -49.818 7.628 -13.505 5 HA3 GLY 421 HA2 GLY 421 -49.397 8.280 -11.926 6 H THR 422 HN THR 422 -48.001 6.443 -13.887 7 HA THR 422 HA THR 422 -47.839 3.868 -12.713 8 HB THR 422 HB THR 422 -47.116 4.225 -15.015 9 HG1 THR 422 HG1 THR 422 -44.761 3.558 -13.576 10 HG21 THR 422 HG21 THR 422 -45.144 6.090 -13.747 11 HG22 THR 422 HG22 THR 422 -46.176 6.346 -15.152 12 HG23 THR 422 HG23 THR 422 -44.766 5.297 -15.275 13 H LYS 423 HN LYS 423 -46.421 3.006 -11.248 14 HA LYS 423 HA LYS 423 -44.365 4.651 -10.032 15 HB2 LYS 423 HB2 LYS 423 -46.598 5.236 -8.939 16 HB3 LYS 423 HB1 LYS 423 -46.605 3.599 -8.304 17 HG2 LYS 423 HG2 LYS 423 -44.654 4.010 -7.004 18 HG3 LYS 423 HG1 LYS 423 -44.393 5.570 -7.788 19 HD2 LYS 423 HD2 LYS 423 -46.485 6.403 -6.831 20 HD3 LYS 423 HD1 LYS 423 -46.757 4.840 -6.059 21 HE2 LYS 423 HE2 LYS 423 -44.371 6.606 -5.544 22 HE3 LYS 423 HE1 LYS 423 -45.821 6.577 -4.542 23 HZ1 LYS 423 HZ1 LYS 423 -45.074 3.955 -4.742 24 HZ2 LYS 423 HZ2 LYS 423 -44.824 4.972 -3.410 25 HZ3 LYS 423 HZ3 LYS 423 -43.599 4.780 -4.571 26 H ALA 424 HN ALA 424 -44.036 2.441 -11.506 27 HA ALA 424 HA ALA 424 -44.054 0.013 -9.996 28 HB1 ALA 424 HB1 ALA 424 -43.949 -0.750 -12.084 29 HB2 ALA 424 HB2 ALA 424 -42.244 -0.301 -12.093 30 HB3 ALA 424 HB3 ALA 424 -43.457 0.828 -12.700 31 H SER 425 HN SER 425 -42.603 -0.685 -8.582 32 HA SER 425 HA SER 425 -40.285 0.890 -7.962 33 HG SER 425 HG SER 425 -41.299 0.585 -5.425 34 HB2 SER 425 HB2 SER 425 -41.204 -1.794 -6.891 35 HB3 SER 425 HB1 SER 425 -39.896 -0.821 -6.216 36 H LYS 426 HN LYS 426 -38.388 0.734 -8.935 37 HA LYS 426 HA LYS 426 -37.805 -1.377 -10.766 38 HB2 LYS 426 HB2 LYS 426 -36.087 0.859 -9.677 39 HB3 LYS 426 HB1 LYS 426 -35.573 -0.254 -10.941 40 HG2 LYS 426 HG2 LYS 426 -37.411 0.506 -12.357 41 HG3 LYS 426 HG1 LYS 426 -37.924 1.621 -11.091 42 HD2 LYS 426 HD2 LYS 426 -35.861 2.850 -11.272 43 HD3 LYS 426 HD1 LYS 426 -35.222 1.674 -12.425 44 HE2 LYS 426 HE2 LYS 426 -37.656 3.401 -12.862 45 HE3 LYS 426 HE1 LYS 426 -36.053 3.723 -13.522 46 HZ1 LYS 426 HZ1 LYS 426 -37.640 1.272 -14.080 47 HZ2 LYS 426 HZ2 LYS 426 -36.165 1.709 -14.791 48 HZ3 LYS 426 HZ3 LYS 426 -37.562 2.618 -15.111 49 H SER 427 HN SER 427 -36.855 -0.574 -7.503 50 HA SER 427 HA SER 427 -35.955 -1.758 -5.814 51 HG SER 427 HG SER 427 -38.387 -4.297 -6.485 52 HB2 SER 427 HB2 SER 427 -36.480 -4.143 -7.602 53 HB3 SER 427 HB1 SER 427 -36.067 -4.223 -5.888 54 H GLY 428 HN GLY 428 -33.938 -1.732 -5.213 55 HA2 GLY 428 HA2 GLY 428 -31.879 -3.274 -6.312 56 HA3 GLY 428 HA1 GLY 428 -31.772 -1.662 -7.014 57 H VAL 429 HN VAL 429 -30.506 -3.501 -4.698 58 HA VAL 429 HA VAL 429 -30.599 -1.752 -2.442 59 HB VAL 429 HB VAL 429 -28.841 -3.186 -1.483 60 HG11 VAL 429 HG11 VAL 429 -30.712 -4.260 -0.890 61 HG12 VAL 429 HG12 VAL 429 -30.259 -5.433 -2.125 62 HG13 VAL 429 HG13 VAL 429 -31.401 -4.147 -2.510 63 HG21 VAL 429 HG21 VAL 429 -28.128 -3.678 -4.100 64 HG22 VAL 429 HG22 VAL 429 -28.864 -5.194 -3.580 65 HG23 VAL 429 HG23 VAL 429 -27.508 -4.515 -2.678 66 HA PRO 430 HA PRO 430 -27.532 1.141 -3.776 67 HB2 PRO 430 HB2 PRO 430 -27.010 2.302 -1.376 68 HB3 PRO 430 HB1 PRO 430 -28.484 2.619 -2.296 69 HG2 PRO 430 HG2 PRO 430 -28.058 0.802 0.038 70 HG3 PRO 430 HG1 PRO 430 -29.422 1.883 -0.310 71 HD2 PRO 430 HD2 PRO 430 -29.503 -0.799 -0.760 72 HD3 PRO 430 HD1 PRO 430 -30.418 0.372 -1.730 73 H VAL 431 HN VAL 431 -25.336 1.240 -3.937 74 HA VAL 431 HA VAL 431 -23.562 0.216 -1.961 75 HB VAL 431 HB VAL 431 -24.400 -1.927 -2.886 76 HG11 VAL 431 HG11 VAL 431 -24.944 -1.614 -5.099 77 HG12 VAL 431 HG12 VAL 431 -23.416 -2.487 -5.225 78 HG13 VAL 431 HG13 VAL 431 -23.455 -0.737 -5.454 79 HG21 VAL 431 HG21 VAL 431 -22.392 -2.929 -2.669 80 HG22 VAL 431 HG22 VAL 431 -21.885 -1.306 -2.199 81 HG23 VAL 431 HG23 VAL 431 -21.613 -1.874 -3.848 82 H THR 432 HN THR 432 -21.519 0.976 -2.273 83 HA THR 432 HA THR 432 -21.200 3.098 -4.088 84 HB THR 432 HB THR 432 -18.986 1.658 -2.614 85 HG1 THR 432 HG1 THR 432 -21.038 3.400 -1.765 86 HG21 THR 432 HG21 THR 432 -18.934 4.577 -2.876 87 HG22 THR 432 HG22 THR 432 -18.823 3.722 -4.415 88 HG23 THR 432 HG23 THR 432 -17.652 3.393 -3.138 89 H GLN 433 HN GLN 433 -19.874 -0.191 -4.091 90 HA GLN 433 HA GLN 433 -19.350 0.120 -6.979 91 HB2 GLN 433 HB2 GLN 433 -17.743 -1.489 -4.980 92 HB3 GLN 433 HB1 GLN 433 -17.534 -1.578 -6.721 93 HG2 GLN 433 HG2 GLN 433 -16.889 0.775 -6.763 94 HG3 GLN 433 HG1 GLN 433 -17.089 0.855 -5.011 95 HE21 GLN 433 HE21 GLN 433 -15.306 0.641 -3.892 96 HE22 GLN 433 HE22 GLN 433 -13.883 -0.228 -4.386 97 H THR 434 HN THR 434 -20.586 -1.201 -8.157 98 HA THR 434 HA THR 434 -22.163 -3.253 -6.898 99 HB THR 434 HB THR 434 -23.068 -1.954 -8.794 100 HG1 THR 434 HG1 THR 434 -22.976 -4.528 -9.868 101 HG21 THR 434 HG21 THR 434 -20.683 -3.050 -10.153 102 HG22 THR 434 HG22 THR 434 -21.552 -1.541 -10.429 103 HG23 THR 434 HG23 THR 434 -22.178 -3.051 -11.091 104 H GLN 435 HN GLN 435 -21.911 -5.414 -6.987 105 HA GLN 435 HA GLN 435 -20.913 -7.442 -7.180 106 HB2 GLN 435 HB2 GLN 435 -20.697 -7.074 -9.579 107 HB3 GLN 435 HB1 GLN 435 -19.232 -6.134 -9.325 108 HG2 GLN 435 HG2 GLN 435 -18.148 -8.148 -8.397 109 HG3 GLN 435 HG1 GLN 435 -19.605 -9.067 -8.767 110 HE21 GLN 435 HE21 GLN 435 -19.584 -10.115 -10.605 111 HE22 GLN 435 HE22 GLN 435 -18.639 -9.725 -12.007 112 H THR 436 HN THR 436 -19.663 -8.221 -5.657 113 HA THR 436 HA THR 436 -17.372 -6.627 -4.747 114 HB THR 436 HB THR 436 -18.563 -9.081 -3.440 115 HG1 THR 436 HG1 THR 436 -19.415 -6.451 -3.505 116 HG21 THR 436 HG21 THR 436 -17.211 -8.655 -1.629 117 HG22 THR 436 HG22 THR 436 -17.058 -6.939 -2.008 118 HG23 THR 436 HG23 THR 436 -16.158 -8.134 -2.943 119 H ALA 437 HN ALA 437 -15.478 -7.129 -5.616 120 HA ALA 437 HA ALA 437 -14.563 -9.851 -5.792 121 HB1 ALA 437 HB1 ALA 437 -14.333 -8.521 -8.408 122 HB2 ALA 437 HB2 ALA 437 -15.957 -9.050 -7.967 123 HB3 ALA 437 HB3 ALA 437 -14.634 -10.213 -8.015 124 H GLY 438 HN GLY 438 -12.451 -9.883 -5.441 125 HA2 GLY 438 HA2 GLY 438 -10.538 -8.103 -6.447 126 HA3 GLY 438 HA1 GLY 438 -11.029 -7.525 -4.860 127 H ALA 439 HN ALA 439 -8.459 -8.680 -5.863 128 HA ALA 439 HA ALA 439 -8.109 -11.282 -4.846 129 HB1 ALA 439 HB1 ALA 439 -6.560 -10.088 -6.408 130 HB2 ALA 439 HB2 ALA 439 -5.759 -10.893 -5.060 131 HB3 ALA 439 HB3 ALA 439 -5.991 -9.146 -5.030 132 H ASP 440 HN ASP 440 -7.697 -8.092 -3.403 133 HA ASP 440 HA ASP 440 -7.504 -7.355 -1.268 134 HB2 ASP 440 HB2 ASP 440 -9.608 -8.928 -1.175 135 HB3 ASP 440 HB1 ASP 440 -8.551 -9.967 -0.224 136 H THR 441 HN THR 441 -5.224 -8.265 -2.300 137 HA THR 441 HA THR 441 -3.914 -10.316 -0.882 138 HB THR 441 HB THR 441 -1.811 -9.175 -1.777 139 HG1 THR 441 HG1 THR 441 -2.018 -7.344 -2.880 140 HG21 THR 441 HG21 THR 441 -3.935 -9.764 -3.835 141 HG22 THR 441 HG22 THR 441 -3.088 -11.012 -2.920 142 HG23 THR 441 HG23 THR 441 -2.191 -9.953 -4.009 143 H THR 442 HN THR 442 -4.051 -6.824 -0.417 144 HA THR 442 HA THR 442 -3.584 -7.013 2.364 145 HB THR 442 HB THR 442 -1.254 -7.381 1.704 146 HG1 THR 442 HG1 THR 442 -0.981 -6.229 3.466 147 HG21 THR 442 HG21 THR 442 -0.216 -5.122 0.677 148 HG22 THR 442 HG22 THR 442 -1.803 -5.100 -0.093 149 HG23 THR 442 HG23 THR 442 -0.734 -6.487 -0.310 150 H ALA 443 HN ALA 443 -3.968 -5.054 3.413 151 HA ALA 443 HA ALA 443 -5.304 -3.029 1.852 152 HB1 ALA 443 HB1 ALA 443 -6.131 -3.793 4.075 153 HB2 ALA 443 HB2 ALA 443 -5.904 -2.049 3.959 154 HB3 ALA 443 HB3 ALA 443 -4.715 -3.040 4.806 155 H GLU 444 HN GLU 444 -2.644 -3.289 1.151 156 HA GLU 444 HA GLU 444 -0.727 -2.190 0.805 157 HB2 GLU 444 HB2 GLU 444 -2.639 -0.016 1.341 158 HB3 GLU 444 HB1 GLU 444 -0.936 0.404 1.492 159 HG2 GLU 444 HG2 GLU 444 -2.335 -0.730 -0.910 160 HG3 GLU 444 HG1 GLU 444 -1.611 0.869 -0.738 161 H LYS 445 HN LYS 445 -0.160 -3.602 2.648 162 HA LYS 445 HA LYS 445 0.440 -2.685 5.222 163 HB2 LYS 445 HB2 LYS 445 0.622 -5.020 4.689 164 HB3 LYS 445 HB1 LYS 445 1.764 -4.697 3.394 165 HG2 LYS 445 HG2 LYS 445 3.349 -3.867 5.175 166 HG3 LYS 445 HG1 LYS 445 2.231 -4.552 6.357 167 HD2 LYS 445 HD2 LYS 445 2.480 -6.751 5.331 168 HD3 LYS 445 HD1 LYS 445 3.560 -6.071 4.110 169 HE2 LYS 445 HE2 LYS 445 5.073 -5.367 5.980 170 HE3 LYS 445 HE1 LYS 445 4.042 -6.284 7.078 171 HZ1 LYS 445 HZ1 LYS 445 4.491 -8.209 5.462 172 HZ2 LYS 445 HZ2 LYS 445 5.710 -7.768 6.552 173 HZ3 LYS 445 HZ3 LYS 445 5.804 -7.273 4.932 174 H CYS 446 HN CYS 446 2.018 -2.317 2.147 175 HA CYS 446 HA CYS 446 4.447 -1.184 3.150 176 HB2 CYS 446 HB2 CYS 446 3.448 -0.900 0.336 177 HB3 CYS 446 HB1 CYS 446 5.093 -1.155 0.912 178 H LYS 447 HN LYS 447 1.832 0.101 1.143 179 HA LYS 447 HA LYS 447 1.293 2.249 0.591 180 HB2 LYS 447 HB2 LYS 447 -0.149 1.387 2.421 181 HB3 LYS 447 HB1 LYS 447 0.848 2.283 3.556 182 HG2 LYS 447 HG2 LYS 447 0.275 4.361 2.305 183 HG3 LYS 447 HG1 LYS 447 -0.854 3.403 1.346 184 HD2 LYS 447 HD2 LYS 447 -2.053 2.787 3.385 185 HD3 LYS 447 HD1 LYS 447 -0.916 3.751 4.330 186 HE2 LYS 447 HE2 LYS 447 -1.621 5.763 3.178 187 HE3 LYS 447 HE1 LYS 447 -2.701 4.822 2.152 188 HZ1 LYS 447 HZ1 LYS 447 -3.689 6.009 4.160 189 HZ2 LYS 447 HZ2 LYS 447 -2.977 4.783 5.092 190 HZ3 LYS 447 HZ3 LYS 447 -4.128 4.392 3.910 191 H GLY 448 HN GLY 448 3.353 3.002 0.021 192 HA2 GLY 448 HA2 GLY 448 5.006 4.606 -0.024 193 HA3 GLY 448 HA1 GLY 448 3.691 5.577 0.603 194 H LYS 449 HN LYS 449 5.391 3.028 2.414 195 HA LYS 449 HA LYS 449 6.216 5.074 4.321 196 HB2 LYS 449 HB2 LYS 449 6.854 3.299 5.800 197 HB3 LYS 449 HB1 LYS 449 5.274 2.909 5.143 198 HG2 LYS 449 HG2 LYS 449 6.243 1.310 3.632 199 HG3 LYS 449 HG1 LYS 449 7.867 1.761 4.153 200 HD2 LYS 449 HD2 LYS 449 7.454 -0.175 5.369 201 HD3 LYS 449 HD1 LYS 449 7.049 1.104 6.512 202 HE2 LYS 449 HE2 LYS 449 4.980 -0.215 4.773 203 HE3 LYS 449 HE1 LYS 449 5.449 -0.873 6.339 204 HZ1 LYS 449 HZ1 LYS 449 4.132 1.723 5.771 205 HZ2 LYS 449 HZ2 LYS 449 4.857 1.384 7.268 206 HZ3 LYS 449 HZ3 LYS 449 3.563 0.440 6.722 207 H GLY 450 HN GLY 450 8.417 5.412 4.853 208 HA2 GLY 450 HA2 GLY 450 10.056 5.768 2.655 209 HA3 GLY 450 HA1 GLY 450 10.612 5.804 4.317 210 H GLU 451 HN GLU 451 11.977 4.860 1.944 211 HA GLU 451 HA GLU 451 11.959 2.116 1.593 212 HB2 GLU 451 HB2 GLU 451 13.108 3.734 0.130 213 HB3 GLU 451 HB1 GLU 451 14.322 3.984 1.376 214 HG2 GLU 451 HG2 GLU 451 14.947 1.607 1.196 215 HG3 GLU 451 HG1 GLU 451 13.791 1.430 -0.123 216 H LYS 452 HN LYS 452 13.579 4.005 4.074 217 HA LYS 452 HA LYS 452 15.297 1.993 5.035 218 HB2 LYS 452 HB2 LYS 452 14.008 4.278 6.538 219 HB3 LYS 452 HB1 LYS 452 15.356 3.311 7.125 220 HG2 LYS 452 HG2 LYS 452 15.401 5.005 4.637 221 HG3 LYS 452 HG1 LYS 452 16.063 5.478 6.203 222 HD2 LYS 452 HD2 LYS 452 17.756 3.866 6.102 223 HD3 LYS 452 HD1 LYS 452 16.932 2.954 4.835 224 HE2 LYS 452 HE2 LYS 452 18.898 4.222 4.023 225 HE3 LYS 452 HE1 LYS 452 17.395 4.665 3.220 226 HZ1 LYS 452 HZ1 LYS 452 17.268 6.655 4.484 227 HZ2 LYS 452 HZ2 LYS 452 18.843 6.564 3.858 228 HZ3 LYS 452 HZ3 LYS 452 18.557 6.193 5.486 229 H ASP 453 HN ASP 453 11.938 2.745 5.676 230 HA ASP 453 HA ASP 453 11.644 0.637 7.647 231 HB2 ASP 453 HB2 ASP 453 9.697 2.531 6.333 232 HB3 ASP 453 HB1 ASP 453 9.160 1.207 7.358 233 H CYS 454 HN CYS 454 10.593 1.311 4.333 234 HA CYS 454 HA CYS 454 9.328 -1.258 4.094 235 HB2 CYS 454 HB2 CYS 454 8.825 1.148 2.987 236 HB3 CYS 454 HB1 CYS 454 9.730 0.401 1.670 237 H LYS 455 HN LYS 455 10.348 -3.055 3.606 238 HA LYS 455 HA LYS 455 12.968 -2.947 2.330 239 HB2 LYS 455 HB2 LYS 455 11.420 -5.277 3.471 240 HB3 LYS 455 HB1 LYS 455 13.070 -5.352 2.868 241 HG2 LYS 455 HG2 LYS 455 12.129 -3.696 5.198 242 HG3 LYS 455 HG1 LYS 455 12.995 -5.230 5.300 243 HD2 LYS 455 HD2 LYS 455 14.955 -4.295 4.353 244 HD3 LYS 455 HD1 LYS 455 14.102 -2.833 3.853 245 HE2 LYS 455 HE2 LYS 455 15.512 -2.454 5.826 246 HE3 LYS 455 HE1 LYS 455 13.805 -2.177 6.164 247 HZ1 LYS 455 HZ1 LYS 455 15.287 -3.565 7.786 248 HZ2 LYS 455 HZ2 LYS 455 14.928 -4.833 6.717 249 HZ3 LYS 455 HZ3 LYS 455 13.676 -4.005 7.499 250 H SER 456 HN SER 456 13.452 -3.749 0.358 251 HA SER 456 HA SER 456 11.488 -3.761 -1.629 252 HG SER 456 HG SER 456 13.164 -3.570 -3.889 253 HB2 SER 456 HB2 SER 456 13.957 -3.351 -1.940 254 HB3 SER 456 HB1 SER 456 14.195 -5.092 -1.824 255 HA PRO 457 HA PRO 457 11.816 -8.670 -1.610 256 HB2 PRO 457 HB2 PRO 457 12.212 -9.661 0.943 257 HB3 PRO 457 HB1 PRO 457 13.457 -9.566 -0.306 258 HG2 PRO 457 HG2 PRO 457 12.913 -7.713 1.975 259 HG3 PRO 457 HG1 PRO 457 14.467 -8.275 1.330 260 HD2 PRO 457 HD2 PRO 457 13.524 -5.834 0.770 261 HD3 PRO 457 HD1 PRO 457 14.410 -6.780 -0.444 262 H ASP 458 HN ASP 458 10.699 -6.730 1.089 263 HA ASP 458 HA ASP 458 8.376 -8.386 1.580 264 HB2 ASP 458 HB2 ASP 458 9.566 -7.185 3.414 265 HB3 ASP 458 HB1 ASP 458 9.064 -5.660 2.698 266 H CYS 459 HN CYS 459 9.089 -5.218 0.174 267 HA CYS 459 HA CYS 459 6.407 -5.175 -1.029 268 HB2 CYS 459 HB2 CYS 459 7.689 -3.058 0.694 269 HB3 CYS 459 HB1 CYS 459 6.363 -2.700 -0.412 270 H LYS 460 HN LYS 460 6.212 -3.869 -2.908 271 HA LYS 460 HA LYS 460 8.693 -3.632 -4.375 272 HB2 LYS 460 HB2 LYS 460 6.658 -4.477 -5.477 273 HB3 LYS 460 HB1 LYS 460 5.875 -2.924 -5.207 274 HG2 LYS 460 HG2 LYS 460 7.674 -1.862 -6.568 275 HG3 LYS 460 HG1 LYS 460 8.270 -3.479 -6.942 276 HD2 LYS 460 HD2 LYS 460 6.826 -2.573 -8.714 277 HD3 LYS 460 HD1 LYS 460 6.172 -4.048 -7.995 278 HE2 LYS 460 HE2 LYS 460 4.592 -2.817 -6.715 279 HE3 LYS 460 HE1 LYS 460 5.359 -1.284 -7.129 280 HZ1 LYS 460 HZ1 LYS 460 3.280 -2.548 -8.451 281 HZ2 LYS 460 HZ2 LYS 460 4.624 -2.656 -9.483 282 HZ3 LYS 460 HZ3 LYS 460 4.108 -1.141 -8.920 283 H TRP 461 HN TRP 461 9.744 -1.828 -4.886 284 HA TRP 461 HA TRP 461 8.786 0.683 -3.684 285 HD1 TRP 461 HD1 TRP 461 12.781 2.296 -4.771 286 HE1 TRP 461 HE1 TRP 461 12.825 4.481 -3.404 287 HE3 TRP 461 HE3 TRP 461 9.214 1.150 -1.296 288 HZ2 TRP 461 HZ2 TRP 461 11.518 5.554 -1.146 289 HZ3 TRP 461 HZ3 TRP 461 8.684 2.810 0.430 290 HH2 TRP 461 HH2 TRP 461 9.804 4.971 0.496 291 HB2 TRP 461 HB2 TRP 461 11.012 -0.339 -2.965 292 HB3 TRP 461 HB1 TRP 461 11.601 0.037 -4.579 293 H GLU 462 HN GLU 462 8.340 2.387 -4.992 294 HA GLU 462 HA GLU 462 9.251 2.234 -7.783 295 HB2 GLU 462 HB2 GLU 462 6.480 2.833 -6.777 296 HB3 GLU 462 HB1 GLU 462 7.024 3.375 -8.357 297 HG2 GLU 462 HG2 GLU 462 7.611 0.940 -8.808 298 HG3 GLU 462 HG1 GLU 462 6.655 0.569 -7.374 299 H GLY 463 HN GLY 463 10.942 3.649 -7.080 300 HA2 GLY 463 HA2 GLY 463 11.887 5.739 -7.282 301 HA3 GLY 463 HA1 GLY 463 10.286 6.385 -7.609 302 H GLY 464 HN GLY 464 8.834 6.312 -5.523 303 HA2 GLY 464 HA2 GLY 464 10.307 6.819 -3.070 304 HA3 GLY 464 HA1 GLY 464 9.563 8.235 -3.800 305 H THR 465 HN THR 465 8.277 4.980 -3.844 306 HA THR 465 HA THR 465 6.471 5.449 -1.674 307 HB THR 465 HB THR 465 5.247 6.661 -3.412 308 HG1 THR 465 HG1 THR 465 3.324 5.641 -3.040 309 HG21 THR 465 HG21 THR 465 4.642 4.276 -5.027 310 HG22 THR 465 HG22 THR 465 6.284 4.896 -5.200 311 HG23 THR 465 HG23 THR 465 4.905 5.948 -5.526 312 H CYS 466 HN CYS 466 5.635 3.574 -0.892 313 HA CYS 466 HA CYS 466 6.686 1.128 -2.119 314 HB2 CYS 466 HB2 CYS 466 6.992 2.020 0.437 315 HB3 CYS 466 HB1 CYS 466 5.551 1.013 0.604 316 H LYS 467 HN LYS 467 5.334 -0.670 -2.449 317 HA LYS 467 HA LYS 467 2.578 -0.600 -1.652 318 HB2 LYS 467 HB2 LYS 467 1.621 -0.524 -3.907 319 HB3 LYS 467 HB1 LYS 467 2.479 0.954 -3.512 320 HG2 LYS 467 HG2 LYS 467 4.373 0.252 -4.841 321 HG3 LYS 467 HG1 LYS 467 3.565 -1.272 -5.212 322 HD2 LYS 467 HD2 LYS 467 3.304 0.251 -7.066 323 HD3 LYS 467 HD1 LYS 467 1.739 0.005 -6.287 324 HE2 LYS 467 HE2 LYS 467 2.112 2.117 -5.026 325 HE3 LYS 467 HE1 LYS 467 3.579 2.372 -5.970 326 HZ1 LYS 467 HZ1 LYS 467 1.122 1.869 -7.458 327 HZ2 LYS 467 HZ2 LYS 467 2.413 2.908 -7.811 328 HZ3 LYS 467 HZ3 LYS 467 1.244 3.368 -6.672 329 H ASP 468 HN ASP 468 1.376 -2.461 -2.347 330 HA ASP 468 HA ASP 468 2.882 -4.874 -2.300 331 HB2 ASP 468 HB2 ASP 468 0.610 -4.779 -1.412 332 HB3 ASP 468 HB1 ASP 468 -0.020 -4.359 -3.001 Start of MODEL 15 1 H1 GLY 421 HT1 GLY 421 -20.659 -15.121 -4.761 2 H2 GLY 421 HT2 GLY 421 -19.201 -14.428 -5.276 3 H3 GLY 421 HT3 GLY 421 -19.835 -15.766 -6.098 4 HA2 GLY 421 HA1 GLY 421 -20.249 -13.827 -7.399 5 HA3 GLY 421 HA2 GLY 421 -21.770 -14.426 -6.750 6 H THR 422 HN THR 422 -22.810 -12.444 -6.834 7 HA THR 422 HA THR 422 -21.707 -10.062 -5.746 8 HB THR 422 HB THR 422 -24.313 -9.484 -5.749 9 HG1 THR 422 HG1 THR 422 -24.917 -11.673 -6.211 10 HG21 THR 422 HG21 THR 422 -22.151 -9.232 -7.570 11 HG22 THR 422 HG22 THR 422 -23.585 -8.217 -7.427 12 HG23 THR 422 HG23 THR 422 -23.598 -9.614 -8.502 13 H LYS 423 HN LYS 423 -21.935 -9.123 -3.788 14 HA LYS 423 HA LYS 423 -23.790 -10.074 -1.810 15 HB2 LYS 423 HB2 LYS 423 -21.995 -11.779 -1.638 16 HB3 LYS 423 HB1 LYS 423 -20.828 -10.500 -1.336 17 HG2 LYS 423 HG2 LYS 423 -21.993 -9.907 0.719 18 HG3 LYS 423 HG1 LYS 423 -23.185 -11.169 0.414 19 HD2 LYS 423 HD2 LYS 423 -20.251 -11.783 0.620 20 HD3 LYS 423 HD1 LYS 423 -21.278 -11.681 2.051 21 HE2 LYS 423 HE2 LYS 423 -21.232 -13.961 1.486 22 HE3 LYS 423 HE1 LYS 423 -22.786 -13.375 0.902 23 HZ1 LYS 423 HZ1 LYS 423 -21.088 -14.818 -0.556 24 HZ2 LYS 423 HZ2 LYS 423 -20.609 -13.259 -1.013 25 HZ3 LYS 423 HZ3 LYS 423 -22.222 -13.749 -1.226 26 H ALA 424 HN ALA 424 -24.299 -8.427 -0.513 27 HA ALA 424 HA ALA 424 -23.285 -5.866 -1.084 28 HB1 ALA 424 HB1 ALA 424 -24.744 -5.133 0.812 29 HB2 ALA 424 HB2 ALA 424 -25.102 -6.834 1.108 30 HB3 ALA 424 HB3 ALA 424 -25.557 -6.091 -0.424 31 H SER 425 HN SER 425 -22.946 -7.884 1.829 32 HA SER 425 HA SER 425 -20.388 -6.668 2.407 33 HG SER 425 HG SER 425 -20.664 -4.614 4.729 34 HB2 SER 425 HB2 SER 425 -22.170 -5.114 3.375 35 HB3 SER 425 HB1 SER 425 -22.580 -6.422 4.483 36 H LYS 426 HN LYS 426 -21.080 -7.575 5.322 37 HA LYS 426 HA LYS 426 -20.656 -9.386 6.612 38 HB2 LYS 426 HB2 LYS 426 -22.030 -10.871 4.367 39 HB3 LYS 426 HB1 LYS 426 -21.695 -11.532 5.960 40 HG2 LYS 426 HG2 LYS 426 -23.501 -9.198 5.359 41 HG3 LYS 426 HG1 LYS 426 -24.013 -10.835 5.768 42 HD2 LYS 426 HD2 LYS 426 -22.870 -10.601 7.953 43 HD3 LYS 426 HD1 LYS 426 -22.483 -8.930 7.539 44 HE2 LYS 426 HE2 LYS 426 -24.437 -8.954 8.943 45 HE3 LYS 426 HE1 LYS 426 -24.910 -8.473 7.315 46 HZ1 LYS 426 HZ1 LYS 426 -26.182 -10.330 8.721 47 HZ2 LYS 426 HZ2 LYS 426 -25.071 -11.317 7.904 48 HZ3 LYS 426 HZ3 LYS 426 -26.133 -10.329 7.026 49 H SER 427 HN SER 427 -18.585 -8.528 4.959 50 HA SER 427 HA SER 427 -16.833 -10.771 5.127 51 HG SER 427 HG SER 427 -18.599 -11.554 3.560 52 HB2 SER 427 HB2 SER 427 -17.275 -9.616 2.351 53 HB3 SER 427 HB1 SER 427 -16.098 -10.852 2.790 54 H GLY 428 HN GLY 428 -17.365 -7.605 3.668 55 HA2 GLY 428 HA2 GLY 428 -15.294 -6.403 5.260 56 HA3 GLY 428 HA1 GLY 428 -14.883 -6.517 3.549 57 H VAL 429 HN VAL 429 -15.177 -4.569 2.660 58 HA VAL 429 HA VAL 429 -17.839 -3.515 2.611 59 HB VAL 429 HB VAL 429 -17.162 -2.407 4.636 60 HG11 VAL 429 HG11 VAL 429 -14.725 -2.618 4.343 61 HG12 VAL 429 HG12 VAL 429 -15.215 -0.992 4.823 62 HG13 VAL 429 HG13 VAL 429 -14.775 -1.324 3.147 63 HG21 VAL 429 HG21 VAL 429 -17.155 0.014 3.836 64 HG22 VAL 429 HG22 VAL 429 -18.513 -0.998 3.346 65 HG23 VAL 429 HG23 VAL 429 -17.215 -0.650 2.204 66 HA PRO 430 HA PRO 430 -16.175 -2.909 -1.470 67 HB2 PRO 430 HB2 PRO 430 -18.755 -1.556 -1.951 68 HB3 PRO 430 HB1 PRO 430 -18.060 -2.966 -2.756 69 HG2 PRO 430 HG2 PRO 430 -20.135 -3.194 -1.067 70 HG3 PRO 430 HG1 PRO 430 -18.875 -4.437 -1.171 71 HD2 PRO 430 HD2 PRO 430 -19.257 -2.291 0.880 72 HD3 PRO 430 HD1 PRO 430 -18.763 -3.982 1.099 73 H VAL 431 HN VAL 431 -14.615 -1.372 -1.159 74 HA VAL 431 HA VAL 431 -15.053 1.232 -0.255 75 HB VAL 431 HB VAL 431 -12.853 0.395 -0.076 76 HG11 VAL 431 HG11 VAL 431 -12.953 -1.250 -1.874 77 HG12 VAL 431 HG12 VAL 431 -11.474 -0.294 -1.950 78 HG13 VAL 431 HG13 VAL 431 -12.798 0.040 -3.066 79 HG21 VAL 431 HG21 VAL 431 -11.475 2.055 -1.298 80 HG22 VAL 431 HG22 VAL 431 -12.871 2.767 -0.489 81 HG23 VAL 431 HG23 VAL 431 -12.902 2.502 -2.232 82 H THR 432 HN THR 432 -16.269 2.674 -1.159 83 HA THR 432 HA THR 432 -17.268 4.058 -2.655 84 HB THR 432 HB THR 432 -15.159 3.438 -4.711 85 HG1 THR 432 HG1 THR 432 -14.616 4.080 -2.221 86 HG21 THR 432 HG21 THR 432 -17.009 5.028 -5.231 87 HG22 THR 432 HG22 THR 432 -15.413 5.778 -5.272 88 HG23 THR 432 HG23 THR 432 -16.470 6.035 -3.885 89 H GLN 433 HN GLN 433 -17.700 1.127 -2.597 90 HA GLN 433 HA GLN 433 -19.016 -0.434 -3.550 91 HB2 GLN 433 HB2 GLN 433 -19.869 1.990 -5.058 92 HB3 GLN 433 HB1 GLN 433 -20.380 0.418 -5.655 93 HG2 GLN 433 HG2 GLN 433 -22.134 1.075 -4.307 94 HG3 GLN 433 HG1 GLN 433 -21.206 0.002 -3.262 95 HE21 GLN 433 HE21 GLN 433 -22.839 2.810 -3.350 96 HE22 GLN 433 HE22 GLN 433 -22.066 3.656 -2.045 97 H THR 434 HN THR 434 -17.778 1.457 -6.312 98 HA THR 434 HA THR 434 -17.168 -0.974 -7.764 99 HB THR 434 HB THR 434 -16.406 1.861 -8.494 100 HG1 THR 434 HG1 THR 434 -18.497 2.170 -8.687 101 HG21 THR 434 HG21 THR 434 -15.768 -0.556 -9.680 102 HG22 THR 434 HG22 THR 434 -15.712 1.028 -10.454 103 HG23 THR 434 HG23 THR 434 -17.146 0.015 -10.618 104 H GLN 435 HN GLN 435 -15.302 -2.053 -7.557 105 HA GLN 435 HA GLN 435 -13.223 -1.052 -5.871 106 HB2 GLN 435 HB2 GLN 435 -12.082 -3.167 -6.340 107 HB3 GLN 435 HB1 GLN 435 -13.766 -3.433 -5.912 108 HG2 GLN 435 HG2 GLN 435 -14.343 -3.802 -8.221 109 HG3 GLN 435 HG1 GLN 435 -12.703 -3.399 -8.726 110 HE21 GLN 435 HE21 GLN 435 -11.500 -5.087 -9.185 111 HE22 GLN 435 HE22 GLN 435 -11.625 -6.664 -8.474 112 H THR 436 HN THR 436 -11.260 -0.256 -6.365 113 HA THR 436 HA THR 436 -10.088 -0.413 -8.955 114 HB THR 436 HB THR 436 -11.736 1.335 -9.459 115 HG1 THR 436 HG1 THR 436 -9.280 1.416 -10.050 116 HG21 THR 436 HG21 THR 436 -10.740 2.472 -6.924 117 HG22 THR 436 HG22 THR 436 -12.331 2.594 -7.674 118 HG23 THR 436 HG23 THR 436 -11.015 3.626 -8.229 119 H ALA 437 HN ALA 437 -7.944 -0.101 -8.820 120 HA ALA 437 HA ALA 437 -5.884 0.125 -7.913 121 HB1 ALA 437 HB1 ALA 437 -7.091 2.244 -6.139 122 HB2 ALA 437 HB2 ALA 437 -6.527 2.518 -7.786 123 HB3 ALA 437 HB3 ALA 437 -5.386 2.029 -6.535 124 H GLY 438 HN GLY 438 -7.514 -1.918 -6.922 125 HA2 GLY 438 HA2 GLY 438 -6.097 -2.587 -4.537 126 HA3 GLY 438 HA1 GLY 438 -7.759 -2.149 -4.176 127 H ALA 439 HN ALA 439 -6.456 -3.873 -6.977 128 HA ALA 439 HA ALA 439 -8.403 -5.993 -6.587 129 HB1 ALA 439 HB1 ALA 439 -7.192 -4.860 -8.823 130 HB2 ALA 439 HB2 ALA 439 -8.249 -6.272 -8.791 131 HB3 ALA 439 HB3 ALA 439 -6.499 -6.478 -8.706 132 H ASP 440 HN ASP 440 -4.918 -5.500 -6.478 133 HA ASP 440 HA ASP 440 -4.299 -8.248 -5.953 134 HB2 ASP 440 HB2 ASP 440 -2.657 -5.732 -5.591 135 HB3 ASP 440 HB1 ASP 440 -2.034 -7.363 -5.358 136 H THR 441 HN THR 441 -4.062 -9.280 -4.065 137 HA THR 441 HA THR 441 -5.403 -8.166 -1.806 138 HB THR 441 HB THR 441 -3.887 -10.764 -1.739 139 HG1 THR 441 HG1 THR 441 -5.037 -10.798 -3.699 140 HG21 THR 441 HG21 THR 441 -4.941 -10.281 0.324 141 HG22 THR 441 HG22 THR 441 -6.025 -11.406 -0.494 142 HG23 THR 441 HG23 THR 441 -6.397 -9.683 -0.472 143 H THR 442 HN THR 442 -3.318 -6.502 -2.103 144 HA THR 442 HA THR 442 -1.295 -7.294 -0.135 145 HB THR 442 HB THR 442 -0.379 -6.353 -2.173 146 HG1 THR 442 HG1 THR 442 0.877 -5.761 -0.472 147 HG21 THR 442 HG21 THR 442 -1.111 -3.622 -2.009 148 HG22 THR 442 HG22 THR 442 -2.596 -4.572 -1.982 149 HG23 THR 442 HG23 THR 442 -1.448 -4.769 -3.305 150 H ALA 443 HN ALA 443 -4.063 -5.288 -0.582 151 HA ALA 443 HA ALA 443 -5.263 -3.920 0.758 152 HB1 ALA 443 HB1 ALA 443 -3.709 -5.371 2.889 153 HB2 ALA 443 HB2 ALA 443 -5.353 -5.692 2.334 154 HB3 ALA 443 HB3 ALA 443 -4.999 -4.219 3.237 155 H GLU 444 HN GLU 444 -2.685 -3.071 -0.329 156 HA GLU 444 HA GLU 444 -1.211 -1.343 -0.279 157 HB2 GLU 444 HB2 GLU 444 -3.678 -0.380 -0.290 158 HB3 GLU 444 HB1 GLU 444 -3.190 0.252 1.276 159 HG2 GLU 444 HG2 GLU 444 -1.340 1.429 0.256 160 HG3 GLU 444 HG1 GLU 444 -1.756 0.751 -1.317 161 H LYS 445 HN LYS 445 -0.713 -3.110 1.783 162 HA LYS 445 HA LYS 445 -0.370 -1.681 4.260 163 HB2 LYS 445 HB2 LYS 445 0.549 -4.412 3.354 164 HB3 LYS 445 HB1 LYS 445 0.847 -3.767 4.963 165 HG2 LYS 445 HG2 LYS 445 -1.568 -3.598 5.339 166 HG3 LYS 445 HG1 LYS 445 -1.859 -4.263 3.731 167 HD2 LYS 445 HD2 LYS 445 -2.076 -5.985 5.450 168 HD3 LYS 445 HD1 LYS 445 -0.718 -6.329 4.377 169 HE2 LYS 445 HE2 LYS 445 0.834 -5.449 6.025 170 HE3 LYS 445 HE1 LYS 445 -0.506 -5.020 7.087 171 HZ1 LYS 445 HZ1 LYS 445 0.593 -7.673 6.453 172 HZ2 LYS 445 HZ2 LYS 445 -1.045 -7.542 6.877 173 HZ3 LYS 445 HZ3 LYS 445 0.156 -7.015 7.954 174 H CYS 446 HN CYS 446 1.465 -2.245 1.409 175 HA CYS 446 HA CYS 446 4.042 -1.793 2.573 176 HB2 CYS 446 HB2 CYS 446 3.152 -1.662 -0.318 177 HB3 CYS 446 HB1 CYS 446 4.822 -1.641 0.236 178 H LYS 447 HN LYS 447 1.561 0.158 1.045 179 HA LYS 447 HA LYS 447 3.120 2.489 0.684 180 HB2 LYS 447 HB2 LYS 447 0.994 2.161 -0.478 181 HB3 LYS 447 HB1 LYS 447 0.134 2.191 1.056 182 HG2 LYS 447 HG2 LYS 447 0.765 4.496 1.404 183 HG3 LYS 447 HG1 LYS 447 1.708 4.483 -0.087 184 HD2 LYS 447 HD2 LYS 447 -0.260 4.186 -1.411 185 HD3 LYS 447 HD1 LYS 447 -1.248 3.924 0.027 186 HE2 LYS 447 HE2 LYS 447 -1.601 6.154 -0.827 187 HE3 LYS 447 HE1 LYS 447 -0.801 6.223 0.741 188 HZ1 LYS 447 HZ1 LYS 447 0.777 6.317 -1.753 189 HZ2 LYS 447 HZ2 LYS 447 1.182 6.891 -0.207 190 HZ3 LYS 447 HZ3 LYS 447 0.037 7.713 -1.144 191 H GLY 448 HN GLY 448 4.013 3.678 2.176 192 HA2 GLY 448 HA2 GLY 448 3.212 5.104 4.213 193 HA3 GLY 448 HA1 GLY 448 3.003 3.505 4.922 194 H LYS 449 HN LYS 449 5.227 2.308 3.610 195 HA LYS 449 HA LYS 449 7.313 2.998 5.421 196 HB2 LYS 449 HB2 LYS 449 7.098 1.144 3.072 197 HB3 LYS 449 HB1 LYS 449 8.665 1.478 3.788 198 HG2 LYS 449 HG2 LYS 449 8.055 -0.441 4.868 199 HG3 LYS 449 HG1 LYS 449 7.508 0.792 6.004 200 HD2 LYS 449 HD2 LYS 449 5.248 0.557 5.276 201 HD3 LYS 449 HD1 LYS 449 5.732 -0.477 3.929 202 HE2 LYS 449 HE2 LYS 449 6.583 -2.124 5.562 203 HE3 LYS 449 HE1 LYS 449 5.958 -1.113 6.866 204 HZ1 LYS 449 HZ1 LYS 449 4.236 -2.559 6.592 205 HZ2 LYS 449 HZ2 LYS 449 4.490 -2.757 4.928 206 HZ3 LYS 449 HZ3 LYS 449 3.751 -1.348 5.512 207 H GLY 450 HN GLY 450 9.112 4.203 5.146 208 HA2 GLY 450 HA2 GLY 450 9.357 5.843 2.747 209 HA3 GLY 450 HA1 GLY 450 10.382 5.920 4.179 210 H GLU 451 HN GLU 451 12.033 5.981 2.336 211 HA GLU 451 HA GLU 451 12.513 3.636 0.820 212 HB2 GLU 451 HB2 GLU 451 13.397 5.746 0.077 213 HB3 GLU 451 HB1 GLU 451 14.311 5.938 1.565 214 HG2 GLU 451 HG2 GLU 451 15.722 4.054 0.962 215 HG3 GLU 451 HG1 GLU 451 14.784 3.806 -0.510 216 H LYS 452 HN LYS 452 13.585 4.689 3.987 217 HA LYS 452 HA LYS 452 15.504 2.559 4.274 218 HB2 LYS 452 HB2 LYS 452 14.356 4.560 6.216 219 HB3 LYS 452 HB1 LYS 452 15.441 3.278 6.725 220 HG2 LYS 452 HG2 LYS 452 16.727 5.256 6.457 221 HG3 LYS 452 HG1 LYS 452 17.136 4.178 5.122 222 HD2 LYS 452 HD2 LYS 452 15.758 5.443 3.610 223 HD3 LYS 452 HD1 LYS 452 15.140 6.432 4.936 224 HE2 LYS 452 HE2 LYS 452 18.035 6.318 4.097 225 HE3 LYS 452 HE1 LYS 452 16.891 7.549 3.565 226 HZ1 LYS 452 HZ1 LYS 452 17.859 7.055 6.327 227 HZ2 LYS 452 HZ2 LYS 452 16.544 8.063 5.975 228 HZ3 LYS 452 HZ3 LYS 452 18.082 8.442 5.379 229 H ASP 453 HN ASP 453 12.191 3.212 5.251 230 HA ASP 453 HA ASP 453 11.851 0.933 6.898 231 HB2 ASP 453 HB2 ASP 453 9.753 2.449 5.330 232 HB3 ASP 453 HB1 ASP 453 9.449 1.349 6.670 233 H CYS 454 HN CYS 454 10.999 1.564 3.512 234 HA CYS 454 HA CYS 454 10.021 -1.007 2.892 235 HB2 CYS 454 HB2 CYS 454 9.917 1.255 1.537 236 HB3 CYS 454 HB1 CYS 454 11.456 0.712 0.885 237 H LYS 455 HN LYS 455 11.107 -2.889 2.713 238 HA LYS 455 HA LYS 455 13.929 -2.843 1.942 239 HB2 LYS 455 HB2 LYS 455 12.870 -4.236 4.405 240 HB3 LYS 455 HB1 LYS 455 14.486 -4.459 3.752 241 HG2 LYS 455 HG2 LYS 455 15.157 -2.313 4.354 242 HG3 LYS 455 HG1 LYS 455 13.493 -1.758 4.569 243 HD2 LYS 455 HD2 LYS 455 13.242 -3.282 6.451 244 HD3 LYS 455 HD1 LYS 455 14.924 -3.787 6.272 245 HE2 LYS 455 HE2 LYS 455 13.912 -1.035 6.984 246 HE3 LYS 455 HE1 LYS 455 14.799 -2.144 8.029 247 HZ1 LYS 455 HZ1 LYS 455 16.650 -1.969 6.335 248 HZ2 LYS 455 HZ2 LYS 455 16.359 -0.578 7.260 249 HZ3 LYS 455 HZ3 LYS 455 15.801 -0.664 5.664 250 H SER 456 HN SER 456 11.660 -3.497 0.636 251 HA SER 456 HA SER 456 10.591 -5.084 -0.614 252 HG SER 456 HG SER 456 13.806 -4.466 -2.054 253 HB2 SER 456 HB2 SER 456 13.443 -6.064 -0.722 254 HB3 SER 456 HB1 SER 456 12.181 -6.436 -1.899 255 HA PRO 457 HA PRO 457 10.690 -8.623 2.550 256 HB2 PRO 457 HB2 PRO 457 8.211 -7.675 3.698 257 HB3 PRO 457 HB1 PRO 457 9.760 -7.930 4.503 258 HG2 PRO 457 HG2 PRO 457 8.635 -5.467 4.118 259 HG3 PRO 457 HG1 PRO 457 10.378 -5.740 4.280 260 HD2 PRO 457 HD2 PRO 457 8.746 -5.324 1.805 261 HD3 PRO 457 HD1 PRO 457 10.356 -4.690 2.214 262 H ASP 458 HN ASP 458 7.961 -6.887 1.248 263 HA ASP 458 HA ASP 458 7.316 -8.891 -0.661 264 HB2 ASP 458 HB2 ASP 458 6.160 -9.545 1.636 265 HB3 ASP 458 HB1 ASP 458 5.045 -8.257 1.200 266 H CYS 459 HN CYS 459 8.229 -6.297 -0.574 267 HA CYS 459 HA CYS 459 6.099 -4.720 -1.816 268 HB2 CYS 459 HB2 CYS 459 7.848 -3.685 0.444 269 HB3 CYS 459 HB1 CYS 459 6.589 -2.791 -0.405 270 H LYS 460 HN LYS 460 6.887 -3.177 -3.279 271 HA LYS 460 HA LYS 460 9.798 -3.267 -3.751 272 HB2 LYS 460 HB2 LYS 460 7.602 -2.720 -5.759 273 HB3 LYS 460 HB1 LYS 460 9.321 -2.815 -6.103 274 HG2 LYS 460 HG2 LYS 460 7.618 -5.086 -5.115 275 HG3 LYS 460 HG1 LYS 460 8.123 -4.828 -6.784 276 HD2 LYS 460 HD2 LYS 460 10.481 -4.981 -6.040 277 HD3 LYS 460 HD1 LYS 460 9.909 -5.370 -4.416 278 HE2 LYS 460 HE2 LYS 460 10.486 -7.401 -5.614 279 HE3 LYS 460 HE1 LYS 460 8.751 -7.340 -5.304 280 HZ1 LYS 460 HZ1 LYS 460 10.155 -6.824 -7.865 281 HZ2 LYS 460 HZ2 LYS 460 8.527 -6.423 -7.615 282 HZ3 LYS 460 HZ3 LYS 460 9.022 -8.042 -7.526 283 H TRP 461 HN TRP 461 10.893 -1.377 -3.866 284 HA TRP 461 HA TRP 461 9.498 1.080 -3.188 285 HD1 TRP 461 HD1 TRP 461 13.384 3.062 -4.251 286 HE1 TRP 461 HE1 TRP 461 13.035 5.396 -3.206 287 HE3 TRP 461 HE3 TRP 461 9.654 1.920 -0.952 288 HZ2 TRP 461 HZ2 TRP 461 11.390 6.565 -1.231 289 HZ3 TRP 461 HZ3 TRP 461 8.761 3.700 0.472 290 HH2 TRP 461 HH2 TRP 461 9.604 5.980 0.335 291 HB2 TRP 461 HB2 TRP 461 11.779 0.465 -2.267 292 HB3 TRP 461 HB1 TRP 461 12.421 0.722 -3.887 293 H GLU 462 HN GLU 462 8.573 2.290 -4.730 294 HA GLU 462 HA GLU 462 9.910 2.667 -7.294 295 HB2 GLU 462 HB2 GLU 462 8.650 0.628 -7.649 296 HB3 GLU 462 HB1 GLU 462 7.193 1.373 -7.012 297 HG2 GLU 462 HG2 GLU 462 7.187 2.941 -8.894 298 HG3 GLU 462 HG1 GLU 462 8.624 2.148 -9.540 299 H GLY 463 HN GLY 463 9.538 4.647 -8.103 300 HA2 GLY 463 HA2 GLY 463 8.768 6.798 -8.267 301 HA3 GLY 463 HA1 GLY 463 7.180 6.126 -7.934 302 H GLY 464 HN GLY 464 9.946 6.027 -5.763 303 HA2 GLY 464 HA2 GLY 464 10.267 6.904 -3.665 304 HA3 GLY 464 HA1 GLY 464 9.277 8.265 -4.172 305 H THR 465 HN THR 465 8.346 4.879 -4.004 306 HA THR 465 HA THR 465 6.713 5.267 -1.653 307 HB THR 465 HB THR 465 5.574 5.057 -4.404 308 HG1 THR 465 HG1 THR 465 5.853 7.017 -2.771 309 HG21 THR 465 HG21 THR 465 4.473 3.886 -1.924 310 HG22 THR 465 HG22 THR 465 4.217 3.419 -3.607 311 HG23 THR 465 HG23 THR 465 3.350 4.802 -2.931 312 H CYS 466 HN CYS 466 6.391 3.383 -0.602 313 HA CYS 466 HA CYS 466 7.531 0.968 -1.769 314 HB2 CYS 466 HB2 CYS 466 7.957 1.765 0.624 315 HB3 CYS 466 HB1 CYS 466 6.298 1.295 0.971 316 H LYS 467 HN LYS 467 6.256 -0.383 -2.875 317 HA LYS 467 HA LYS 467 3.515 -0.870 -2.064 318 HB2 LYS 467 HB2 LYS 467 2.926 -0.301 -4.617 319 HB3 LYS 467 HB1 LYS 467 2.778 0.875 -3.322 320 HG2 LYS 467 HG2 LYS 467 3.848 1.981 -5.098 321 HG3 LYS 467 HG1 LYS 467 5.106 1.644 -3.909 322 HD2 LYS 467 HD2 LYS 467 6.039 1.120 -6.010 323 HD3 LYS 467 HD1 LYS 467 5.635 -0.429 -5.263 324 HE2 LYS 467 HE2 LYS 467 4.896 -0.593 -7.488 325 HE3 LYS 467 HE1 LYS 467 3.451 -0.305 -6.521 326 HZ1 LYS 467 HZ1 LYS 467 4.529 1.255 -8.639 327 HZ2 LYS 467 HZ2 LYS 467 4.359 2.192 -7.236 328 HZ3 LYS 467 HZ3 LYS 467 3.016 1.377 -7.876 329 H ASP 468 HN ASP 468 2.513 -2.589 -3.244 330 HA ASP 468 HA ASP 468 4.290 -4.729 -3.663 331 HB2 ASP 468 HB2 ASP 468 2.368 -6.064 -4.113 332 HB3 ASP 468 HB1 ASP 468 1.892 -4.894 -2.887 Start of MODEL 16 1 H1 GLY 421 HT1 GLY 421 -7.458 -8.872 2.225 2 H2 GLY 421 HT2 GLY 421 -6.911 -9.498 3.700 3 H3 GLY 421 HT3 GLY 421 -5.958 -8.384 2.843 4 HA2 GLY 421 HA1 GLY 421 -7.633 -7.760 4.863 5 HA3 GLY 421 HA2 GLY 421 -7.019 -6.630 3.663 6 H THR 422 HN THR 422 -9.541 -6.513 5.068 7 HA THR 422 HA THR 422 -11.684 -7.366 3.420 8 HB THR 422 HB THR 422 -11.744 -4.967 5.258 9 HG1 THR 422 HG1 THR 422 -11.890 -7.751 5.899 10 HG21 THR 422 HG21 THR 422 -14.081 -5.905 5.663 11 HG22 THR 422 HG22 THR 422 -13.797 -6.930 4.255 12 HG23 THR 422 HG23 THR 422 -13.784 -5.174 4.086 13 H LYS 423 HN LYS 423 -9.942 -4.314 3.745 14 HA LYS 423 HA LYS 423 -9.550 -2.582 2.357 15 HB2 LYS 423 HB2 LYS 423 -9.317 -4.519 0.667 16 HB3 LYS 423 HB1 LYS 423 -10.911 -4.035 0.104 17 HG2 LYS 423 HG2 LYS 423 -9.146 -3.057 -1.256 18 HG3 LYS 423 HG1 LYS 423 -10.072 -1.813 -0.413 19 HD2 LYS 423 HD2 LYS 423 -8.338 -1.561 1.234 20 HD3 LYS 423 HD1 LYS 423 -7.447 -2.926 0.559 21 HE2 LYS 423 HE2 LYS 423 -6.987 -1.716 -1.452 22 HE3 LYS 423 HE1 LYS 423 -8.065 -0.407 -0.969 23 HZ1 LYS 423 HZ1 LYS 423 -6.545 0.444 0.451 24 HZ2 LYS 423 HZ2 LYS 423 -5.463 -0.285 -0.629 25 HZ3 LYS 423 HZ3 LYS 423 -5.857 -1.057 0.831 26 H ALA 424 HN ALA 424 -12.669 -3.861 1.167 27 HA ALA 424 HA ALA 424 -13.824 -1.189 1.534 28 HB1 ALA 424 HB1 ALA 424 -14.247 -3.309 -0.361 29 HB2 ALA 424 HB2 ALA 424 -14.830 -1.646 -0.396 30 HB3 ALA 424 HB3 ALA 424 -15.761 -2.888 0.439 31 H SER 425 HN SER 425 -14.862 -0.796 3.367 32 HA SER 425 HA SER 425 -15.568 -2.883 5.193 33 HG SER 425 HG SER 425 -13.878 -1.160 5.636 34 HB2 SER 425 HB2 SER 425 -16.413 0.011 5.361 35 HB3 SER 425 HB1 SER 425 -16.154 -1.127 6.685 36 H LYS 426 HN LYS 426 -17.292 -0.709 3.030 37 HA LYS 426 HA LYS 426 -19.402 -0.644 2.226 38 HB2 LYS 426 HB2 LYS 426 -18.635 -2.966 1.528 39 HB3 LYS 426 HB1 LYS 426 -19.571 -3.584 2.880 40 HG2 LYS 426 HG2 LYS 426 -20.787 -3.735 0.761 41 HG3 LYS 426 HG1 LYS 426 -21.608 -2.689 1.922 42 HD2 LYS 426 HD2 LYS 426 -20.618 -0.721 0.798 43 HD3 LYS 426 HD1 LYS 426 -19.884 -1.800 -0.391 44 HE2 LYS 426 HE2 LYS 426 -22.083 -2.552 -1.099 45 HE3 LYS 426 HE1 LYS 426 -22.841 -1.541 0.131 46 HZ1 LYS 426 HZ1 LYS 426 -21.204 -0.537 -2.138 47 HZ2 LYS 426 HZ2 LYS 426 -21.994 0.415 -0.978 48 HZ3 LYS 426 HZ3 LYS 426 -22.898 -0.516 -2.066 49 H SER 427 HN SER 427 -19.140 0.113 4.880 50 HA SER 427 HA SER 427 -21.270 -1.024 6.441 51 HG SER 427 HG SER 427 -19.245 2.164 6.375 52 HB2 SER 427 HB2 SER 427 -20.680 1.249 7.742 53 HB3 SER 427 HB1 SER 427 -19.673 -0.196 7.865 54 H GLY 428 HN GLY 428 -20.751 1.778 4.419 55 HA2 GLY 428 HA2 GLY 428 -23.507 2.148 3.859 56 HA3 GLY 428 HA1 GLY 428 -22.951 3.336 5.035 57 H VAL 429 HN VAL 429 -22.294 5.183 4.175 58 HA VAL 429 HA VAL 429 -21.531 5.375 1.382 59 HB VAL 429 HB VAL 429 -21.419 7.472 3.570 60 HG11 VAL 429 HG11 VAL 429 -21.162 9.093 1.818 61 HG12 VAL 429 HG12 VAL 429 -21.313 7.847 0.580 62 HG13 VAL 429 HG13 VAL 429 -19.903 7.871 1.638 63 HG21 VAL 429 HG21 VAL 429 -23.420 8.263 1.948 64 HG22 VAL 429 HG22 VAL 429 -23.663 7.296 3.403 65 HG23 VAL 429 HG23 VAL 429 -23.591 6.511 1.824 66 HA PRO 430 HA PRO 430 -17.329 4.198 2.230 67 HB2 PRO 430 HB2 PRO 430 -16.739 5.753 -0.228 68 HB3 PRO 430 HB1 PRO 430 -16.365 4.069 0.156 69 HG2 PRO 430 HG2 PRO 430 -18.312 4.683 -1.565 70 HG3 PRO 430 HG1 PRO 430 -18.482 3.327 -0.435 71 HD2 PRO 430 HD2 PRO 430 -19.685 6.059 -0.315 72 HD3 PRO 430 HD1 PRO 430 -20.392 4.493 0.134 73 H VAL 431 HN VAL 431 -16.397 5.265 3.868 74 HA VAL 431 HA VAL 431 -16.100 8.154 3.780 75 HB VAL 431 HB VAL 431 -15.118 6.403 6.019 76 HG11 VAL 431 HG11 VAL 431 -16.190 8.555 7.191 77 HG12 VAL 431 HG12 VAL 431 -15.769 9.258 5.628 78 HG13 VAL 431 HG13 VAL 431 -14.523 8.499 6.620 79 HG21 VAL 431 HG21 VAL 431 -17.404 6.753 7.052 80 HG22 VAL 431 HG22 VAL 431 -17.310 5.573 5.745 81 HG23 VAL 431 HG23 VAL 431 -17.963 7.182 5.436 82 H THR 432 HN THR 432 -14.571 6.973 1.848 83 HA THR 432 HA THR 432 -12.503 6.700 0.982 84 HB THR 432 HB THR 432 -10.746 8.349 1.816 85 HG1 THR 432 HG1 THR 432 -12.429 8.545 3.845 86 HG21 THR 432 HG21 THR 432 -12.175 8.803 -0.106 87 HG22 THR 432 HG22 THR 432 -11.904 10.269 0.833 88 HG23 THR 432 HG23 THR 432 -13.439 9.412 0.964 89 H GLN 433 HN GLN 433 -13.125 4.804 2.912 90 HA GLN 433 HA GLN 433 -10.639 4.398 4.402 91 HB2 GLN 433 HB2 GLN 433 -12.331 2.255 4.961 92 HB3 GLN 433 HB1 GLN 433 -12.003 3.639 5.988 93 HG2 GLN 433 HG2 GLN 433 -14.326 3.483 5.894 94 HG3 GLN 433 HG1 GLN 433 -13.917 4.796 4.795 95 HE21 GLN 433 HE21 GLN 433 -15.662 2.013 5.192 96 HE22 GLN 433 HE22 GLN 433 -16.030 1.676 3.527 97 H THR 434 HN THR 434 -12.384 3.317 1.658 98 HA THR 434 HA THR 434 -11.304 0.746 1.361 99 HB THR 434 HB THR 434 -11.795 1.212 -1.141 100 HG1 THR 434 HG1 THR 434 -12.274 3.236 -1.560 101 HG21 THR 434 HG21 THR 434 -13.796 0.284 -0.735 102 HG22 THR 434 HG22 THR 434 -14.328 1.663 0.229 103 HG23 THR 434 HG23 THR 434 -13.363 0.387 0.973 104 H GLN 435 HN GLN 435 -10.364 3.794 -0.247 105 HA GLN 435 HA GLN 435 -8.422 4.471 -1.223 106 HB2 GLN 435 HB2 GLN 435 -7.433 3.020 1.227 107 HB3 GLN 435 HB1 GLN 435 -6.376 3.977 0.198 108 HG2 GLN 435 HG2 GLN 435 -7.589 5.970 0.681 109 HG3 GLN 435 HG1 GLN 435 -8.849 5.066 1.517 110 HE21 GLN 435 HE21 GLN 435 -8.757 5.529 3.583 111 HE22 GLN 435 HE22 GLN 435 -7.324 5.605 4.557 112 H THR 436 HN THR 436 -9.330 2.434 -2.659 113 HA THR 436 HA THR 436 -7.363 0.337 -2.919 114 HB THR 436 HB THR 436 -9.763 -0.134 -3.278 115 HG1 THR 436 HG1 THR 436 -8.472 -0.515 -5.777 116 HG21 THR 436 HG21 THR 436 -9.591 1.293 -5.911 117 HG22 THR 436 HG22 THR 436 -10.144 2.125 -4.459 118 HG23 THR 436 HG23 THR 436 -11.019 0.713 -5.052 119 H ALA 437 HN ALA 437 -5.918 0.059 -4.601 120 HA ALA 437 HA ALA 437 -5.786 1.983 -6.762 121 HB1 ALA 437 HB1 ALA 437 -4.422 3.390 -5.681 122 HB2 ALA 437 HB2 ALA 437 -3.186 2.150 -5.895 123 HB3 ALA 437 HB3 ALA 437 -4.105 2.230 -4.391 124 H GLY 438 HN GLY 438 -4.054 -0.588 -5.014 125 HA2 GLY 438 HA2 GLY 438 -2.899 -1.547 -7.514 126 HA3 GLY 438 HA1 GLY 438 -2.566 -2.173 -5.906 127 H ALA 439 HN ALA 439 -5.245 -2.542 -5.097 128 HA ALA 439 HA ALA 439 -6.968 -4.009 -5.126 129 HB1 ALA 439 HB1 ALA 439 -6.448 -3.644 -7.983 130 HB2 ALA 439 HB2 ALA 439 -7.965 -3.618 -7.084 131 HB3 ALA 439 HB3 ALA 439 -7.253 -5.159 -7.569 132 H ASP 440 HN ASP 440 -4.322 -5.319 -7.144 133 HA ASP 440 HA ASP 440 -4.772 -8.018 -6.335 134 HB2 ASP 440 HB2 ASP 440 -3.613 -7.370 -8.448 135 HB3 ASP 440 HB1 ASP 440 -2.254 -6.799 -7.489 136 H THR 441 HN THR 441 -4.139 -9.047 -4.583 137 HA THR 441 HA THR 441 -3.100 -9.611 -2.651 138 HB THR 441 HB THR 441 -1.005 -7.556 -3.395 139 HG1 THR 441 HG1 THR 441 -1.186 -9.223 -4.955 140 HG21 THR 441 HG21 THR 441 -1.361 -9.271 -1.077 141 HG22 THR 441 HG22 THR 441 -0.210 -7.961 -1.343 142 HG23 THR 441 HG23 THR 441 0.162 -9.590 -1.907 143 H THR 442 HN THR 442 -2.491 -6.121 -2.951 144 HA THR 442 HA THR 442 -4.566 -5.209 -1.438 145 HB THR 442 HB THR 442 -3.541 -6.498 0.458 146 HG1 THR 442 HG1 THR 442 -3.351 -4.181 1.667 147 HG21 THR 442 HG21 THR 442 -1.408 -4.362 0.443 148 HG22 THR 442 HG22 THR 442 -1.158 -5.993 -0.185 149 HG23 THR 442 HG23 THR 442 -1.540 -5.753 1.520 150 H ALA 443 HN ALA 443 -1.193 -4.896 -2.258 151 HA ALA 443 HA ALA 443 0.023 -3.233 -3.175 152 HB1 ALA 443 HB1 ALA 443 -1.497 -1.012 -3.589 153 HB2 ALA 443 HB2 ALA 443 -2.698 -2.300 -3.682 154 HB3 ALA 443 HB3 ALA 443 -1.287 -2.333 -4.740 155 H GLU 444 HN GLU 444 -2.366 -1.739 -0.989 156 HA GLU 444 HA GLU 444 -0.396 0.057 0.057 157 HB2 GLU 444 HB2 GLU 444 -3.268 -0.486 0.796 158 HB3 GLU 444 HB1 GLU 444 -2.270 0.661 1.675 159 HG2 GLU 444 HG2 GLU 444 -3.564 1.894 0.127 160 HG3 GLU 444 HG1 GLU 444 -1.907 1.876 -0.476 161 H LYS 445 HN LYS 445 0.363 -2.616 0.363 162 HA LYS 445 HA LYS 445 0.006 -3.443 3.091 163 HB2 LYS 445 HB2 LYS 445 0.589 -4.980 1.176 164 HB3 LYS 445 HB1 LYS 445 2.185 -4.241 1.153 165 HG2 LYS 445 HG2 LYS 445 2.131 -4.897 3.703 166 HG3 LYS 445 HG1 LYS 445 0.977 -6.098 3.125 167 HD2 LYS 445 HD2 LYS 445 3.813 -5.702 2.171 168 HD3 LYS 445 HD1 LYS 445 3.203 -7.044 3.137 169 HE2 LYS 445 HE2 LYS 445 1.800 -7.767 1.294 170 HE3 LYS 445 HE1 LYS 445 2.315 -6.380 0.332 171 HZ1 LYS 445 HZ1 LYS 445 3.722 -8.853 0.931 172 HZ2 LYS 445 HZ2 LYS 445 4.669 -7.448 0.935 173 HZ3 LYS 445 HZ3 LYS 445 3.794 -7.873 -0.453 174 H CYS 446 HN CYS 446 2.230 -1.539 1.220 175 HA CYS 446 HA CYS 446 3.735 -0.883 3.662 176 HB2 CYS 446 HB2 CYS 446 4.843 -1.318 0.888 177 HB3 CYS 446 HB1 CYS 446 5.768 -0.866 2.311 178 H LYS 447 HN LYS 447 1.751 0.327 1.403 179 HA LYS 447 HA LYS 447 3.096 2.589 0.434 180 HB2 LYS 447 HB2 LYS 447 0.986 1.776 -0.536 181 HB3 LYS 447 HB1 LYS 447 0.129 2.265 0.920 182 HG2 LYS 447 HG2 LYS 447 0.537 4.569 0.483 183 HG3 LYS 447 HG1 LYS 447 1.660 4.184 -0.821 184 HD2 LYS 447 HD2 LYS 447 -1.274 3.486 -0.841 185 HD3 LYS 447 HD1 LYS 447 -0.588 4.921 -1.604 186 HE2 LYS 447 HE2 LYS 447 0.764 3.533 -3.062 187 HE3 LYS 447 HE1 LYS 447 0.184 2.080 -2.252 188 HZ1 LYS 447 HZ1 LYS 447 -1.793 2.156 -3.306 189 HZ2 LYS 447 HZ2 LYS 447 -0.894 2.998 -4.478 190 HZ3 LYS 447 HZ3 LYS 447 -1.844 3.851 -3.362 191 H GLY 448 HN GLY 448 3.835 4.295 1.442 192 HA2 GLY 448 HA2 GLY 448 3.282 6.212 2.899 193 HA3 GLY 448 HA1 GLY 448 2.563 5.049 4.002 194 H LYS 449 HN LYS 449 4.978 3.240 3.175 195 HA LYS 449 HA LYS 449 6.583 4.098 5.428 196 HB2 LYS 449 HB2 LYS 449 6.932 1.730 3.578 197 HB3 LYS 449 HB1 LYS 449 7.906 2.047 5.008 198 HG2 LYS 449 HG2 LYS 449 5.594 2.074 6.214 199 HG3 LYS 449 HG1 LYS 449 5.078 1.155 4.801 200 HD2 LYS 449 HD2 LYS 449 7.353 0.432 6.647 201 HD3 LYS 449 HD1 LYS 449 5.754 -0.309 6.647 202 HE2 LYS 449 HE2 LYS 449 6.142 -1.076 4.337 203 HE3 LYS 449 HE1 LYS 449 7.762 -0.382 4.400 204 HZ1 LYS 449 HZ1 LYS 449 8.461 -1.949 5.947 205 HZ2 LYS 449 HZ2 LYS 449 7.488 -2.863 4.898 206 HZ3 LYS 449 HZ3 LYS 449 6.883 -2.367 6.401 207 H GLY 450 HN GLY 450 8.669 4.801 5.393 208 HA2 GLY 450 HA2 GLY 450 9.621 6.099 3.014 209 HA3 GLY 450 HA1 GLY 450 10.473 5.967 4.548 210 H GLU 451 HN GLU 451 11.868 5.686 2.229 211 HA GLU 451 HA GLU 451 12.022 3.165 1.096 212 HB2 GLU 451 HB2 GLU 451 13.134 5.154 0.189 213 HB3 GLU 451 HB1 GLU 451 14.273 5.129 1.528 214 HG2 GLU 451 HG2 GLU 451 15.218 3.077 0.781 215 HG3 GLU 451 HG1 GLU 451 13.959 2.879 -0.437 216 H LYS 452 HN LYS 452 13.602 4.371 4.024 217 HA LYS 452 HA LYS 452 15.237 2.081 4.393 218 HB2 LYS 452 HB2 LYS 452 15.685 2.934 6.607 219 HB3 LYS 452 HB1 LYS 452 15.732 4.249 5.445 220 HG2 LYS 452 HG2 LYS 452 13.509 4.966 6.151 221 HG3 LYS 452 HG1 LYS 452 13.445 3.634 7.309 222 HD2 LYS 452 HD2 LYS 452 15.471 4.547 8.401 223 HD3 LYS 452 HD1 LYS 452 15.412 5.918 7.295 224 HE2 LYS 452 HE2 LYS 452 13.186 6.498 8.170 225 HE3 LYS 452 HE1 LYS 452 13.301 5.154 9.307 226 HZ1 LYS 452 HZ1 LYS 452 15.510 7.051 9.311 227 HZ2 LYS 452 HZ2 LYS 452 14.761 6.262 10.607 228 HZ3 LYS 452 HZ3 LYS 452 14.034 7.626 9.917 229 H ASP 453 HN ASP 453 11.952 2.841 5.281 230 HA ASP 453 HA ASP 453 11.715 0.581 7.078 231 HB2 ASP 453 HB2 ASP 453 10.381 2.894 7.022 232 HB3 ASP 453 HB1 ASP 453 9.301 1.953 5.995 233 H CYS 454 HN CYS 454 10.805 1.468 3.812 234 HA CYS 454 HA CYS 454 9.398 -0.850 3.066 235 HB2 CYS 454 HB2 CYS 454 9.529 1.287 1.742 236 HB3 CYS 454 HB1 CYS 454 11.192 0.879 1.343 237 H LYS 455 HN LYS 455 10.090 -2.768 2.071 238 HA LYS 455 HA LYS 455 12.959 -3.217 1.768 239 HB2 LYS 455 HB2 LYS 455 11.125 -4.973 3.397 240 HB3 LYS 455 HB1 LYS 455 12.578 -5.610 2.645 241 HG2 LYS 455 HG2 LYS 455 13.546 -5.092 4.583 242 HG3 LYS 455 HG1 LYS 455 13.562 -3.444 3.951 243 HD2 LYS 455 HD2 LYS 455 11.481 -2.955 5.088 244 HD3 LYS 455 HD1 LYS 455 11.368 -4.625 5.652 245 HE2 LYS 455 HE2 LYS 455 13.476 -4.314 6.894 246 HE3 LYS 455 HE1 LYS 455 13.510 -2.629 6.378 247 HZ1 LYS 455 HZ1 LYS 455 11.011 -3.074 7.507 248 HZ2 LYS 455 HZ2 LYS 455 12.286 -2.152 8.140 249 HZ3 LYS 455 HZ3 LYS 455 12.140 -3.789 8.552 250 H SER 456 HN SER 456 13.458 -4.756 0.146 251 HA SER 456 HA SER 456 11.608 -4.878 -1.971 252 HG SER 456 HG SER 456 15.271 -5.057 -1.845 253 HB2 SER 456 HB2 SER 456 13.993 -6.705 -1.689 254 HB3 SER 456 HB1 SER 456 13.270 -6.080 -3.170 255 HA PRO 457 HA PRO 457 10.888 -9.531 -0.794 256 HB2 PRO 457 HB2 PRO 457 11.225 -10.144 1.845 257 HB3 PRO 457 HB1 PRO 457 12.464 -10.424 0.617 258 HG2 PRO 457 HG2 PRO 457 12.210 -8.182 2.580 259 HG3 PRO 457 HG1 PRO 457 13.659 -9.071 2.074 260 HD2 PRO 457 HD2 PRO 457 13.048 -6.618 1.114 261 HD3 PRO 457 HD1 PRO 457 13.893 -7.840 0.142 262 H ASP 458 HN ASP 458 10.438 -6.896 1.435 263 HA ASP 458 HA ASP 458 7.925 -7.763 2.486 264 HB2 ASP 458 HB2 ASP 458 9.510 -6.305 3.726 265 HB3 ASP 458 HB1 ASP 458 9.199 -5.019 2.566 266 H CYS 459 HN CYS 459 8.916 -5.273 0.131 267 HA CYS 459 HA CYS 459 6.454 -5.587 -1.335 268 HB2 CYS 459 HB2 CYS 459 7.007 -3.088 0.251 269 HB3 CYS 459 HB1 CYS 459 6.046 -3.031 -1.217 270 H LYS 460 HN LYS 460 6.613 -3.177 -2.805 271 HA LYS 460 HA LYS 460 9.326 -3.357 -3.928 272 HB2 LYS 460 HB2 LYS 460 7.558 -4.422 -5.351 273 HB3 LYS 460 HB1 LYS 460 6.797 -2.844 -5.498 274 HG2 LYS 460 HG2 LYS 460 8.616 -1.971 -6.720 275 HG3 LYS 460 HG1 LYS 460 9.643 -3.350 -6.317 276 HD2 LYS 460 HD2 LYS 460 8.116 -4.807 -7.589 277 HD3 LYS 460 HD1 LYS 460 7.178 -3.386 -8.045 278 HE2 LYS 460 HE2 LYS 460 10.089 -3.836 -8.694 279 HE3 LYS 460 HE1 LYS 460 8.750 -4.102 -9.809 280 HZ1 LYS 460 HZ1 LYS 460 9.445 -1.996 -10.363 281 HZ2 LYS 460 HZ2 LYS 460 9.822 -1.568 -8.770 282 HZ3 LYS 460 HZ3 LYS 460 8.197 -1.650 -9.264 283 H TRP 461 HN TRP 461 10.348 -1.500 -4.385 284 HA TRP 461 HA TRP 461 9.013 0.982 -3.526 285 HD1 TRP 461 HD1 TRP 461 12.926 2.795 -4.392 286 HE1 TRP 461 HE1 TRP 461 12.759 5.121 -3.295 287 HE3 TRP 461 HE3 TRP 461 9.278 1.805 -0.955 288 HZ2 TRP 461 HZ2 TRP 461 11.263 6.350 -1.236 289 HZ3 TRP 461 HZ3 TRP 461 8.541 3.603 0.531 290 HH2 TRP 461 HH2 TRP 461 9.509 5.836 0.397 291 HB2 TRP 461 HB2 TRP 461 11.110 0.285 -2.333 292 HB3 TRP 461 HB1 TRP 461 11.979 0.452 -3.854 293 H GLU 462 HN GLU 462 8.480 2.422 -5.053 294 HA GLU 462 HA GLU 462 9.997 2.412 -7.572 295 HB2 GLU 462 HB2 GLU 462 6.984 2.428 -7.302 296 HB3 GLU 462 HB1 GLU 462 7.858 2.676 -8.810 297 HG2 GLU 462 HG2 GLU 462 8.762 0.457 -8.715 298 HG3 GLU 462 HG1 GLU 462 8.077 0.203 -7.114 299 H GLY 463 HN GLY 463 10.919 4.317 -7.689 300 HA2 GLY 463 HA2 GLY 463 11.167 6.593 -7.868 301 HA3 GLY 463 HA1 GLY 463 9.417 6.735 -7.818 302 H GLY 464 HN GLY 464 8.491 6.283 -5.563 303 HA2 GLY 464 HA2 GLY 464 10.107 6.836 -3.288 304 HA3 GLY 464 HA1 GLY 464 9.239 8.276 -3.810 305 H THR 465 HN THR 465 8.237 4.895 -3.905 306 HA THR 465 HA THR 465 6.435 5.215 -1.698 307 HB THR 465 HB THR 465 5.198 6.304 -3.588 308 HG1 THR 465 HG1 THR 465 3.351 5.501 -2.836 309 HG21 THR 465 HG21 THR 465 4.695 5.274 -5.541 310 HG22 THR 465 HG22 THR 465 4.537 3.687 -4.789 311 HG23 THR 465 HG23 THR 465 6.136 4.328 -5.166 312 H CYS 466 HN CYS 466 5.878 3.303 -0.829 313 HA CYS 466 HA CYS 466 7.070 0.919 -2.062 314 HB2 CYS 466 HB2 CYS 466 7.874 1.758 0.206 315 HB3 CYS 466 HB1 CYS 466 6.294 1.308 0.832 316 H LYS 467 HN LYS 467 5.737 -0.749 -2.667 317 HA LYS 467 HA LYS 467 3.164 -1.105 -1.411 318 HB2 LYS 467 HB2 LYS 467 1.864 -0.779 -3.505 319 HB3 LYS 467 HB1 LYS 467 2.558 0.701 -2.863 320 HG2 LYS 467 HG2 LYS 467 4.366 0.557 -4.520 321 HG3 LYS 467 HG1 LYS 467 3.619 -0.902 -5.180 322 HD2 LYS 467 HD2 LYS 467 1.612 0.353 -5.737 323 HD3 LYS 467 HD1 LYS 467 2.302 1.808 -5.017 324 HE2 LYS 467 HE2 LYS 467 2.556 1.955 -7.391 325 HE3 LYS 467 HE1 LYS 467 4.145 1.681 -6.680 326 HZ1 LYS 467 HZ1 LYS 467 3.418 -0.822 -7.164 327 HZ2 LYS 467 HZ2 LYS 467 4.243 0.139 -8.294 328 HZ3 LYS 467 HZ3 LYS 467 2.562 -0.042 -8.405 329 H ASP 468 HN ASP 468 2.093 -2.985 -1.980 330 HA ASP 468 HA ASP 468 2.973 -4.770 -4.010 331 HB2 ASP 468 HB2 ASP 468 4.831 -5.033 -2.334 332 HB3 ASP 468 HB1 ASP 468 3.633 -5.582 -1.167 Start of MODEL 17 1 H1 GLY 421 HT1 GLY 421 -30.684 -14.659 -31.552 2 H2 GLY 421 HT2 GLY 421 -29.477 -15.588 -32.291 3 H3 GLY 421 HT3 GLY 421 -29.477 -13.903 -32.468 4 HA2 GLY 421 HA1 GLY 421 -28.131 -13.744 -30.745 5 HA3 GLY 421 HA2 GLY 421 -29.464 -14.313 -29.751 6 H THR 422 HN THR 422 -27.568 -16.011 -32.219 7 HA THR 422 HA THR 422 -25.864 -17.409 -30.539 8 HB THR 422 HB THR 422 -27.938 -18.414 -29.596 9 HG1 THR 422 HG1 THR 422 -26.525 -19.951 -29.279 10 HG21 THR 422 HG21 THR 422 -28.829 -18.503 -32.198 11 HG22 THR 422 HG22 THR 422 -29.570 -19.325 -30.826 12 HG23 THR 422 HG23 THR 422 -28.431 -20.187 -31.859 13 H LYS 423 HN LYS 423 -24.482 -18.700 -31.711 14 HA LYS 423 HA LYS 423 -23.353 -19.441 -33.525 15 HB2 LYS 423 HB2 LYS 423 -26.089 -19.683 -34.790 16 HB3 LYS 423 HB1 LYS 423 -24.607 -20.410 -35.394 17 HG2 LYS 423 HG2 LYS 423 -24.459 -21.844 -33.486 18 HG3 LYS 423 HG1 LYS 423 -25.821 -21.032 -32.713 19 HD2 LYS 423 HD2 LYS 423 -25.959 -22.551 -35.316 20 HD3 LYS 423 HD1 LYS 423 -26.440 -23.191 -33.743 21 HE2 LYS 423 HE2 LYS 423 -28.141 -21.460 -33.540 22 HE3 LYS 423 HE1 LYS 423 -27.642 -20.772 -35.085 23 HZ1 LYS 423 HZ1 LYS 423 -28.133 -23.215 -35.879 24 HZ2 LYS 423 HZ2 LYS 423 -29.366 -22.055 -35.772 25 HZ3 LYS 423 HZ3 LYS 423 -29.171 -23.204 -34.539 26 H ALA 424 HN ALA 424 -23.654 -16.692 -33.116 27 HA ALA 424 HA ALA 424 -24.118 -15.484 -35.727 28 HB1 ALA 424 HB1 ALA 424 -23.750 -14.464 -32.954 29 HB2 ALA 424 HB2 ALA 424 -24.987 -14.073 -34.148 30 HB3 ALA 424 HB3 ALA 424 -23.365 -13.400 -34.307 31 H SER 425 HN SER 425 -22.551 -14.555 -36.984 32 HA SER 425 HA SER 425 -19.843 -15.468 -36.586 33 HG SER 425 HG SER 425 -18.447 -14.580 -38.181 34 HB2 SER 425 HB2 SER 425 -20.988 -15.260 -38.848 35 HB3 SER 425 HB1 SER 425 -20.838 -13.514 -38.675 36 H LYS 426 HN LYS 426 -19.079 -14.478 -34.752 37 HA LYS 426 HA LYS 426 -19.383 -11.658 -34.320 38 HB2 LYS 426 HB2 LYS 426 -17.698 -13.706 -32.871 39 HB3 LYS 426 HB1 LYS 426 -17.953 -12.051 -32.335 40 HG2 LYS 426 HG2 LYS 426 -20.114 -14.123 -32.668 41 HG3 LYS 426 HG1 LYS 426 -19.367 -13.654 -31.139 42 HD2 LYS 426 HD2 LYS 426 -20.861 -11.774 -32.966 43 HD3 LYS 426 HD1 LYS 426 -21.566 -12.569 -31.558 44 HE2 LYS 426 HE2 LYS 426 -19.225 -10.662 -31.529 45 HE3 LYS 426 HE1 LYS 426 -20.876 -10.280 -31.043 46 HZ1 LYS 426 HZ1 LYS 426 -19.983 -10.765 -29.026 47 HZ2 LYS 426 HZ2 LYS 426 -18.847 -11.858 -29.649 48 HZ3 LYS 426 HZ3 LYS 426 -20.465 -12.333 -29.467 49 H SER 427 HN SER 427 -18.264 -11.803 -36.727 50 HA SER 427 HA SER 427 -15.398 -11.318 -36.421 51 HG SER 427 HG SER 427 -14.280 -11.694 -38.698 52 HB2 SER 427 HB2 SER 427 -16.203 -12.730 -38.318 53 HB3 SER 427 HB1 SER 427 -17.086 -11.336 -38.940 54 H GLY 428 HN GLY 428 -14.639 -9.329 -36.233 55 HA2 GLY 428 HA2 GLY 428 -15.260 -7.025 -37.508 56 HA3 GLY 428 HA1 GLY 428 -16.473 -7.100 -36.240 57 H VAL 429 HN VAL 429 -15.198 -8.059 -34.105 58 HA VAL 429 HA VAL 429 -12.619 -6.888 -33.711 59 HB VAL 429 HB VAL 429 -13.897 -4.828 -33.595 60 HG11 VAL 429 HG11 VAL 429 -15.825 -4.489 -32.446 61 HG12 VAL 429 HG12 VAL 429 -15.402 -5.639 -31.177 62 HG13 VAL 429 HG13 VAL 429 -15.989 -6.221 -32.734 63 HG21 VAL 429 HG21 VAL 429 -11.982 -5.155 -32.055 64 HG22 VAL 429 HG22 VAL 429 -13.118 -5.661 -30.805 65 HG23 VAL 429 HG23 VAL 429 -13.186 -4.018 -31.444 66 HA PRO 430 HA PRO 430 -12.855 -10.219 -30.750 67 HB2 PRO 430 HB2 PRO 430 -10.223 -9.249 -29.873 68 HB3 PRO 430 HB1 PRO 430 -10.656 -10.806 -30.583 69 HG2 PRO 430 HG2 PRO 430 -9.224 -8.973 -31.935 70 HG3 PRO 430 HG1 PRO 430 -10.378 -10.048 -32.745 71 HD2 PRO 430 HD2 PRO 430 -10.697 -7.175 -31.952 72 HD3 PRO 430 HD1 PRO 430 -11.212 -8.000 -33.439 73 H VAL 431 HN VAL 431 -13.739 -10.183 -28.763 74 HA VAL 431 HA VAL 431 -13.787 -7.681 -27.286 75 HB VAL 431 HB VAL 431 -15.027 -10.278 -26.380 76 HG11 VAL 431 HG11 VAL 431 -16.663 -8.749 -25.328 77 HG12 VAL 431 HG12 VAL 431 -15.706 -7.379 -25.896 78 HG13 VAL 431 HG13 VAL 431 -15.018 -8.517 -24.734 79 HG21 VAL 431 HG21 VAL 431 -16.650 -8.326 -27.923 80 HG22 VAL 431 HG22 VAL 431 -16.828 -10.074 -27.765 81 HG23 VAL 431 HG23 VAL 431 -15.585 -9.406 -28.822 82 H THR 432 HN THR 432 -11.242 -8.578 -27.427 83 HA THR 432 HA THR 432 -10.598 -10.132 -25.079 84 HB THR 432 HB THR 432 -8.196 -9.562 -25.896 85 HG1 THR 432 HG1 THR 432 -8.326 -9.182 -28.280 86 HG21 THR 432 HG21 THR 432 -8.610 -11.746 -26.300 87 HG22 THR 432 HG22 THR 432 -8.774 -11.205 -27.971 88 HG23 THR 432 HG23 THR 432 -10.208 -11.426 -26.970 89 H GLN 433 HN GLN 433 -10.033 -9.330 -23.163 90 HA GLN 433 HA GLN 433 -9.798 -6.420 -22.907 91 HB2 GLN 433 HB2 GLN 433 -10.068 -6.872 -20.453 92 HB3 GLN 433 HB1 GLN 433 -11.439 -7.353 -21.442 93 HG2 GLN 433 HG2 GLN 433 -10.762 -9.666 -21.326 94 HG3 GLN 433 HG1 GLN 433 -9.304 -9.222 -20.442 95 HE21 GLN 433 HE21 GLN 433 -12.266 -10.496 -20.085 96 HE22 GLN 433 HE22 GLN 433 -12.576 -10.081 -18.433 97 H THR 434 HN THR 434 -7.942 -5.436 -22.393 98 HA THR 434 HA THR 434 -5.534 -7.010 -22.326 99 HB THR 434 HB THR 434 -5.503 -4.921 -23.572 100 HG1 THR 434 HG1 THR 434 -3.801 -3.991 -21.714 101 HG21 THR 434 HG21 THR 434 -5.474 -2.748 -22.272 102 HG22 THR 434 HG22 THR 434 -6.160 -3.654 -20.922 103 HG23 THR 434 HG23 THR 434 -7.048 -3.529 -22.442 104 H GLN 435 HN GLN 435 -7.391 -5.043 -20.062 105 HA GLN 435 HA GLN 435 -6.458 -6.464 -17.801 106 HB2 GLN 435 HB2 GLN 435 -4.416 -5.101 -18.263 107 HB3 GLN 435 HB1 GLN 435 -5.384 -3.645 -18.082 108 HG2 GLN 435 HG2 GLN 435 -5.830 -4.199 -15.762 109 HG3 GLN 435 HG1 GLN 435 -4.918 -5.700 -15.932 110 HE21 GLN 435 HE21 GLN 435 -2.975 -5.591 -15.090 111 HE22 GLN 435 HE22 GLN 435 -1.949 -4.194 -15.056 112 H THR 436 HN THR 436 -7.711 -6.031 -16.027 113 HA THR 436 HA THR 436 -10.180 -4.709 -16.468 114 HB THR 436 HB THR 436 -10.366 -5.142 -13.893 115 HG1 THR 436 HG1 THR 436 -8.363 -5.659 -13.238 116 HG21 THR 436 HG21 THR 436 -11.459 -6.428 -15.742 117 HG22 THR 436 HG22 THR 436 -11.071 -7.394 -14.317 118 HG23 THR 436 HG23 THR 436 -10.053 -7.494 -15.754 119 H ALA 437 HN ALA 437 -9.455 -2.565 -16.997 120 HA ALA 437 HA ALA 437 -9.087 -0.368 -16.592 121 HB1 ALA 437 HB1 ALA 437 -10.168 -1.297 -13.996 122 HB2 ALA 437 HB2 ALA 437 -10.725 -0.009 -15.064 123 HB3 ALA 437 HB3 ALA 437 -9.340 0.259 -14.006 124 H GLY 438 HN GLY 438 -7.915 0.531 -13.913 125 HA2 GLY 438 HA2 GLY 438 -5.393 -0.794 -13.705 126 HA3 GLY 438 HA1 GLY 438 -5.264 0.707 -14.615 127 H ALA 439 HN ALA 439 -4.576 -0.442 -11.783 128 HA ALA 439 HA ALA 439 -4.493 2.047 -10.468 129 HB1 ALA 439 HB1 ALA 439 -6.926 1.553 -10.174 130 HB2 ALA 439 HB2 ALA 439 -6.043 1.705 -8.656 131 HB3 ALA 439 HB3 ALA 439 -6.475 0.109 -9.267 132 H ASP 440 HN ASP 440 -2.787 1.935 -9.148 133 HA ASP 440 HA ASP 440 -1.589 -0.648 -8.579 134 HB2 ASP 440 HB2 ASP 440 -0.689 2.189 -8.038 135 HB3 ASP 440 HB1 ASP 440 0.205 0.780 -7.481 136 H THR 441 HN THR 441 -3.873 -0.769 -7.356 137 HA THR 441 HA THR 441 -4.072 0.420 -4.813 138 HB THR 441 HB THR 441 -6.023 -0.470 -5.996 139 HG1 THR 441 HG1 THR 441 -5.677 -1.942 -3.578 140 HG21 THR 441 HG21 THR 441 -6.356 -3.030 -5.742 141 HG22 THR 441 HG22 THR 441 -4.595 -3.078 -5.646 142 HG23 THR 441 HG23 THR 441 -5.383 -2.418 -7.079 143 H THR 442 HN THR 442 -3.370 -0.152 -2.866 144 HA THR 442 HA THR 442 -2.250 -2.772 -2.328 145 HB THR 442 HB THR 442 -0.363 -1.633 -3.414 146 HG1 THR 442 HG1 THR 442 0.531 -2.910 -1.949 147 HG21 THR 442 HG21 THR 442 -0.826 0.458 -1.298 148 HG22 THR 442 HG22 THR 442 -0.779 0.667 -3.047 149 HG23 THR 442 HG23 THR 442 0.703 0.301 -2.165 150 H ALA 443 HN ALA 443 -3.442 0.301 -1.398 151 HA ALA 443 HA ALA 443 -4.214 1.177 0.540 152 HB1 ALA 443 HB1 ALA 443 -5.132 -0.259 2.181 153 HB2 ALA 443 HB2 ALA 443 -4.050 -1.577 1.740 154 HB3 ALA 443 HB3 ALA 443 -5.339 -1.092 0.641 155 H GLU 444 HN GLU 444 -3.524 0.228 3.252 156 HA GLU 444 HA GLU 444 -0.865 1.365 3.317 157 HB2 GLU 444 HB2 GLU 444 -2.697 2.237 4.761 158 HB3 GLU 444 HB1 GLU 444 -2.690 0.710 5.631 159 HG2 GLU 444 HG2 GLU 444 -0.340 1.129 6.247 160 HG3 GLU 444 HG1 GLU 444 -0.440 2.699 5.450 161 H LYS 445 HN LYS 445 -0.996 -1.171 2.256 162 HA LYS 445 HA LYS 445 -0.141 -3.124 4.192 163 HB2 LYS 445 HB2 LYS 445 -1.085 -4.010 2.189 164 HB3 LYS 445 HB1 LYS 445 -0.076 -2.988 1.179 165 HG2 LYS 445 HG2 LYS 445 0.613 -5.341 1.138 166 HG3 LYS 445 HG1 LYS 445 1.883 -4.277 1.740 167 HD2 LYS 445 HD2 LYS 445 1.312 -4.905 4.042 168 HD3 LYS 445 HD1 LYS 445 0.045 -5.975 3.432 169 HE2 LYS 445 HE2 LYS 445 2.159 -7.150 4.021 170 HE3 LYS 445 HE1 LYS 445 1.659 -7.374 2.347 171 HZ1 LYS 445 HZ1 LYS 445 4.127 -6.710 3.046 172 HZ2 LYS 445 HZ2 LYS 445 3.476 -5.157 2.865 173 HZ3 LYS 445 HZ3 LYS 445 3.430 -6.251 1.571 174 H CYS 446 HN CYS 446 1.269 -0.797 2.006 175 HA CYS 446 HA CYS 446 3.704 -0.797 3.567 176 HB2 CYS 446 HB2 CYS 446 3.553 -1.603 0.680 177 HB3 CYS 446 HB1 CYS 446 5.006 -0.866 1.331 178 H LYS 447 HN LYS 447 1.305 0.917 2.441 179 HA LYS 447 HA LYS 447 2.613 2.968 0.959 180 HB2 LYS 447 HB2 LYS 447 0.217 2.547 0.704 181 HB3 LYS 447 HB1 LYS 447 -0.054 2.984 2.385 182 HG2 LYS 447 HG2 LYS 447 0.625 5.264 1.934 183 HG3 LYS 447 HG1 LYS 447 0.989 4.844 0.258 184 HD2 LYS 447 HD2 LYS 447 -1.362 4.277 -0.108 185 HD3 LYS 447 HD1 LYS 447 -1.724 4.686 1.569 186 HE2 LYS 447 HE2 LYS 447 -2.330 6.522 0.087 187 HE3 LYS 447 HE1 LYS 447 -1.012 6.994 1.160 188 HZ1 LYS 447 HZ1 LYS 447 0.521 6.422 -0.715 189 HZ2 LYS 447 HZ2 LYS 447 -0.463 7.772 -0.985 190 HZ3 LYS 447 HZ3 LYS 447 -0.843 6.290 -1.716 191 H GLY 448 HN GLY 448 3.602 4.764 1.633 192 HA2 GLY 448 HA2 GLY 448 4.350 6.462 2.977 193 HA3 GLY 448 HA1 GLY 448 3.014 6.097 4.054 194 H LYS 449 HN LYS 449 5.589 3.821 3.217 195 HA LYS 449 HA LYS 449 6.303 3.684 6.038 196 HB2 LYS 449 HB2 LYS 449 7.179 2.074 3.640 197 HB3 LYS 449 HB1 LYS 449 7.807 1.828 5.264 198 HG2 LYS 449 HG2 LYS 449 5.579 1.270 6.053 199 HG3 LYS 449 HG1 LYS 449 4.933 1.546 4.433 200 HD2 LYS 449 HD2 LYS 449 5.255 -0.823 4.802 201 HD3 LYS 449 HD1 LYS 449 6.382 -0.245 3.575 202 HE2 LYS 449 HE2 LYS 449 7.559 -1.705 5.047 203 HE3 LYS 449 HE1 LYS 449 8.114 -0.063 5.351 204 HZ1 LYS 449 HZ1 LYS 449 7.156 -1.849 7.211 205 HZ2 LYS 449 HZ2 LYS 449 5.902 -0.727 7.014 206 HZ3 LYS 449 HZ3 LYS 449 7.456 -0.195 7.450 207 H GLY 450 HN GLY 450 7.873 4.263 2.922 208 HA2 GLY 450 HA2 GLY 450 9.594 5.984 2.684 209 HA3 GLY 450 HA1 GLY 450 10.045 5.661 4.353 210 H GLU 451 HN GLU 451 11.709 5.510 1.941 211 HA GLU 451 HA GLU 451 11.926 2.958 0.924 212 HB2 GLU 451 HB2 GLU 451 12.977 5.053 0.031 213 HB3 GLU 451 HB1 GLU 451 14.238 4.862 1.241 214 HG2 GLU 451 HG2 GLU 451 14.914 2.766 0.273 215 HG3 GLU 451 HG1 GLU 451 13.573 2.821 -0.868 216 H LYS 452 HN LYS 452 13.629 4.317 3.743 217 HA LYS 452 HA LYS 452 15.279 2.033 4.115 218 HB2 LYS 452 HB2 LYS 452 15.811 2.955 6.313 219 HB3 LYS 452 HB1 LYS 452 15.884 4.198 5.076 220 HG2 LYS 452 HG2 LYS 452 13.696 5.023 5.770 221 HG3 LYS 452 HG1 LYS 452 13.625 3.770 7.012 222 HD2 LYS 452 HD2 LYS 452 15.642 4.703 8.051 223 HD3 LYS 452 HD1 LYS 452 15.680 5.970 6.822 224 HE2 LYS 452 HE2 LYS 452 13.475 6.746 7.579 225 HE3 LYS 452 HE1 LYS 452 13.472 5.493 8.821 226 HZ1 LYS 452 HZ1 LYS 452 15.037 7.967 8.670 227 HZ2 LYS 452 HZ2 LYS 452 15.732 6.627 9.444 228 HZ3 LYS 452 HZ3 LYS 452 14.260 7.258 10.003 229 H ASP 453 HN ASP 453 12.121 2.960 5.383 230 HA ASP 453 HA ASP 453 11.880 0.731 7.155 231 HB2 ASP 453 HB2 ASP 453 10.571 2.853 7.364 232 HB3 ASP 453 HB1 ASP 453 9.671 2.390 5.924 233 H CYS 454 HN CYS 454 10.760 1.447 3.884 234 HA CYS 454 HA CYS 454 9.213 -0.790 3.375 235 HB2 CYS 454 HB2 CYS 454 9.505 1.227 1.890 236 HB3 CYS 454 HB1 CYS 454 11.057 0.561 1.395 237 H LYS 455 HN LYS 455 9.665 -2.891 3.370 238 HA LYS 455 HA LYS 455 12.430 -3.792 3.114 239 HB2 LYS 455 HB2 LYS 455 10.162 -4.706 4.541 240 HB3 LYS 455 HB1 LYS 455 10.510 -5.925 3.323 241 HG2 LYS 455 HG2 LYS 455 11.637 -6.428 5.401 242 HG3 LYS 455 HG1 LYS 455 12.800 -6.082 4.123 243 HD2 LYS 455 HD2 LYS 455 13.096 -3.819 4.987 244 HD3 LYS 455 HD1 LYS 455 11.908 -4.138 6.253 245 HE2 LYS 455 HE2 LYS 455 13.347 -5.909 7.145 246 HE3 LYS 455 HE1 LYS 455 14.533 -5.579 5.886 247 HZ1 LYS 455 HZ1 LYS 455 14.419 -4.427 8.366 248 HZ2 LYS 455 HZ2 LYS 455 13.843 -3.215 7.325 249 HZ3 LYS 455 HZ3 LYS 455 15.366 -3.912 7.059 250 H SER 456 HN SER 456 13.182 -4.390 1.201 251 HA SER 456 HA SER 456 11.731 -4.118 -1.126 252 HG SER 456 HG SER 456 14.680 -3.916 0.165 253 HB2 SER 456 HB2 SER 456 14.211 -5.826 -0.880 254 HB3 SER 456 HB1 SER 456 13.660 -4.919 -2.289 255 HA PRO 457 HA PRO 457 11.348 -8.960 -1.542 256 HB2 PRO 457 HB2 PRO 457 11.219 -10.279 0.865 257 HB3 PRO 457 HB1 PRO 457 12.668 -10.189 -0.139 258 HG2 PRO 457 HG2 PRO 457 11.917 -8.568 2.261 259 HG3 PRO 457 HG1 PRO 457 13.495 -9.245 1.814 260 HD2 PRO 457 HD2 PRO 457 12.915 -6.650 1.443 261 HD3 PRO 457 HD1 PRO 457 13.936 -7.551 0.303 262 H ASP 458 HN ASP 458 10.106 -7.191 1.220 263 HA ASP 458 HA ASP 458 7.551 -8.504 1.235 264 HB2 ASP 458 HB2 ASP 458 8.416 -7.628 3.314 265 HB3 ASP 458 HB1 ASP 458 8.561 -6.017 2.624 266 H CYS 459 HN CYS 459 8.776 -5.328 0.155 267 HA CYS 459 HA CYS 459 6.542 -5.153 -1.706 268 HB2 CYS 459 HB2 CYS 459 7.028 -3.146 0.495 269 HB3 CYS 459 HB1 CYS 459 6.144 -2.737 -0.969 270 H LYS 460 HN LYS 460 6.964 -3.913 -3.489 271 HA LYS 460 HA LYS 460 9.748 -3.408 -4.025 272 HB2 LYS 460 HB2 LYS 460 7.382 -2.790 -5.793 273 HB3 LYS 460 HB1 LYS 460 9.060 -2.953 -6.284 274 HG2 LYS 460 HG2 LYS 460 8.976 -5.331 -5.617 275 HG3 LYS 460 HG1 LYS 460 7.253 -5.138 -5.285 276 HD2 LYS 460 HD2 LYS 460 6.930 -4.412 -7.630 277 HD3 LYS 460 HD1 LYS 460 8.638 -4.735 -7.934 278 HE2 LYS 460 HE2 LYS 460 7.359 -6.617 -8.695 279 HE3 LYS 460 HE1 LYS 460 8.258 -7.092 -7.253 280 HZ1 LYS 460 HZ1 LYS 460 5.503 -6.111 -6.943 281 HZ2 LYS 460 HZ2 LYS 460 6.362 -7.223 -5.998 282 HZ3 LYS 460 HZ3 LYS 460 5.748 -7.689 -7.509 283 H TRP 461 HN TRP 461 10.505 -1.374 -4.932 284 HA TRP 461 HA TRP 461 9.174 0.927 -3.676 285 HD1 TRP 461 HD1 TRP 461 12.657 3.359 -4.974 286 HE1 TRP 461 HE1 TRP 461 12.239 5.504 -3.610 287 HE3 TRP 461 HE3 TRP 461 9.563 1.441 -1.392 288 HZ2 TRP 461 HZ2 TRP 461 10.785 6.262 -1.292 289 HZ3 TRP 461 HZ3 TRP 461 8.713 2.932 0.356 290 HH2 TRP 461 HH2 TRP 461 9.310 5.295 0.406 291 HB2 TRP 461 HB2 TRP 461 11.633 0.399 -3.157 292 HB3 TRP 461 HB1 TRP 461 11.970 0.915 -4.807 293 H GLU 462 HN GLU 462 8.103 2.253 -4.961 294 HA GLU 462 HA GLU 462 8.535 2.042 -7.858 295 HB2 GLU 462 HB2 GLU 462 6.275 1.525 -6.808 296 HB3 GLU 462 HB1 GLU 462 6.148 3.238 -6.445 297 HG2 GLU 462 HG2 GLU 462 4.927 2.823 -8.439 298 HG3 GLU 462 HG1 GLU 462 6.388 3.707 -8.877 299 H GLY 463 HN GLY 463 10.480 3.503 -7.053 300 HA2 GLY 463 HA2 GLY 463 11.454 5.568 -7.503 301 HA3 GLY 463 HA1 GLY 463 9.864 6.194 -7.920 302 H GLY 464 HN GLY 464 8.377 6.020 -5.771 303 HA2 GLY 464 HA2 GLY 464 9.813 6.790 -3.372 304 HA3 GLY 464 HA1 GLY 464 8.866 8.078 -4.108 305 H THR 465 HN THR 465 7.968 4.726 -4.227 306 HA THR 465 HA THR 465 5.964 5.068 -2.139 307 HB THR 465 HB THR 465 5.369 4.312 -4.975 308 HG1 THR 465 HG1 THR 465 4.773 6.325 -5.045 309 HG21 THR 465 HG21 THR 465 4.271 2.879 -3.125 310 HG22 THR 465 HG22 THR 465 3.256 3.550 -4.402 311 HG23 THR 465 HG23 THR 465 3.305 4.322 -2.816 312 H CYS 466 HN CYS 466 5.823 3.284 -0.907 313 HA CYS 466 HA CYS 466 7.241 0.891 -1.780 314 HB2 CYS 466 HB2 CYS 466 7.685 1.833 0.477 315 HB3 CYS 466 HB1 CYS 466 6.004 1.544 0.905 316 H LYS 467 HN LYS 467 6.136 -0.646 -2.793 317 HA LYS 467 HA LYS 467 3.691 -1.685 -1.777 318 HB2 LYS 467 HB2 LYS 467 2.252 -1.157 -3.726 319 HB3 LYS 467 HB1 LYS 467 2.689 0.268 -2.800 320 HG2 LYS 467 HG2 LYS 467 3.121 1.153 -4.808 321 HG3 LYS 467 HG1 LYS 467 4.642 0.266 -4.679 322 HD2 LYS 467 HD2 LYS 467 3.651 -1.608 -5.904 323 HD3 LYS 467 HD1 LYS 467 2.127 -0.725 -6.025 324 HE2 LYS 467 HE2 LYS 467 3.252 1.032 -7.305 325 HE3 LYS 467 HE1 LYS 467 4.771 0.144 -7.188 326 HZ1 LYS 467 HZ1 LYS 467 2.626 -0.199 -9.026 327 HZ2 LYS 467 HZ2 LYS 467 2.936 -1.650 -8.204 328 HZ3 LYS 467 HZ3 LYS 467 4.179 -0.883 -9.055 329 H ASP 468 HN ASP 468 3.452 -3.771 -2.482 330 HA ASP 468 HA ASP 468 5.489 -4.754 -4.312 331 HB2 ASP 468 HB2 ASP 468 5.108 -6.019 -2.258 332 HB3 ASP 468 HB1 ASP 468 3.417 -6.251 -2.697 Start of MODEL 18 1 H1 GLY 421 HT1 GLY 421 13.240 -3.741 -17.360 2 H2 GLY 421 HT2 GLY 421 14.176 -2.333 -17.249 3 H3 GLY 421 HT3 GLY 421 14.718 -3.639 -18.187 4 HA2 GLY 421 HA1 GLY 421 13.672 -1.642 -19.374 5 HA3 GLY 421 HA2 GLY 421 13.218 -3.267 -19.870 6 H THR 422 HN THR 422 11.151 -2.972 -20.531 7 HA THR 422 HA THR 422 9.309 -1.428 -18.903 8 HB THR 422 HB THR 422 7.708 -2.353 -20.801 9 HG1 THR 422 HG1 THR 422 8.720 -3.278 -22.419 10 HG21 THR 422 HG21 THR 422 7.810 -0.138 -21.103 11 HG22 THR 422 HG22 THR 422 9.114 -0.456 -22.247 12 HG23 THR 422 HG23 THR 422 9.491 -0.069 -20.568 13 H LYS 423 HN LYS 423 7.062 -3.220 -19.860 14 HA LYS 423 HA LYS 423 6.832 -4.726 -17.469 15 HB2 LYS 423 HB2 LYS 423 4.702 -5.501 -18.377 16 HB3 LYS 423 HB1 LYS 423 4.884 -3.768 -18.608 17 HG2 LYS 423 HG2 LYS 423 5.499 -4.143 -20.944 18 HG3 LYS 423 HG1 LYS 423 5.320 -5.883 -20.709 19 HD2 LYS 423 HD2 LYS 423 2.947 -5.485 -20.069 20 HD3 LYS 423 HD1 LYS 423 3.165 -3.785 -20.490 21 HE2 LYS 423 HE2 LYS 423 2.142 -4.942 -22.343 22 HE3 LYS 423 HE1 LYS 423 3.782 -4.468 -22.782 23 HZ1 LYS 423 HZ1 LYS 423 2.700 -6.977 -22.969 24 HZ2 LYS 423 HZ2 LYS 423 3.717 -7.071 -21.617 25 HZ3 LYS 423 HZ3 LYS 423 4.342 -6.574 -23.119 26 H ALA 424 HN ALA 424 7.775 -5.532 -20.748 27 HA ALA 424 HA ALA 424 8.688 -8.136 -19.817 28 HB1 ALA 424 HB1 ALA 424 7.244 -9.403 -20.961 29 HB2 ALA 424 HB2 ALA 424 7.343 -8.375 -22.390 30 HB3 ALA 424 HB3 ALA 424 6.246 -7.953 -21.075 31 H SER 425 HN SER 425 10.624 -8.559 -20.610 32 HA SER 425 HA SER 425 11.643 -6.950 -22.825 33 HG SER 425 HG SER 425 12.170 -6.905 -19.991 34 HB2 SER 425 HB2 SER 425 13.123 -8.852 -20.990 35 HB3 SER 425 HB1 SER 425 13.850 -7.729 -22.140 36 H LYS 426 HN LYS 426 9.727 -8.794 -23.520 37 HA LYS 426 HA LYS 426 9.240 -10.347 -25.081 38 HB2 LYS 426 HB2 LYS 426 11.042 -9.209 -26.369 39 HB3 LYS 426 HB1 LYS 426 12.192 -10.371 -25.725 40 HG2 LYS 426 HG2 LYS 426 11.443 -10.917 -28.003 41 HG3 LYS 426 HG1 LYS 426 11.062 -12.182 -26.834 42 HD2 LYS 426 HD2 LYS 426 8.767 -11.497 -26.741 43 HD3 LYS 426 HD1 LYS 426 9.107 -10.058 -27.703 44 HE2 LYS 426 HE2 LYS 426 9.472 -12.878 -28.695 45 HE3 LYS 426 HE1 LYS 426 8.017 -11.920 -28.963 46 HZ1 LYS 426 HZ1 LYS 426 10.580 -11.777 -30.269 47 HZ2 LYS 426 HZ2 LYS 426 9.986 -10.263 -29.782 48 HZ3 LYS 426 HZ3 LYS 426 9.058 -11.248 -30.802 49 H SER 427 HN SER 427 8.591 -12.252 -24.494 50 HA SER 427 HA SER 427 8.425 -14.261 -23.474 51 HG SER 427 HG SER 427 11.656 -13.654 -24.450 52 HB2 SER 427 HB2 SER 427 10.336 -15.872 -23.978 53 HB3 SER 427 HB1 SER 427 9.545 -15.125 -25.362 54 H GLY 428 HN GLY 428 8.934 -12.410 -21.634 55 HA2 GLY 428 HA2 GLY 428 9.767 -13.835 -19.415 56 HA3 GLY 428 HA1 GLY 428 11.175 -12.932 -19.963 57 H VAL 429 HN VAL 429 9.035 -12.785 -17.653 58 HA VAL 429 HA VAL 429 8.754 -9.858 -17.847 59 HB VAL 429 HB VAL 429 6.558 -10.094 -16.625 60 HG11 VAL 429 HG11 VAL 429 5.366 -10.969 -18.767 61 HG12 VAL 429 HG12 VAL 429 6.994 -10.973 -19.445 62 HG13 VAL 429 HG13 VAL 429 6.298 -9.474 -18.830 63 HG21 VAL 429 HG21 VAL 429 6.658 -12.947 -17.590 64 HG22 VAL 429 HG22 VAL 429 5.390 -12.172 -16.640 65 HG23 VAL 429 HG23 VAL 429 6.973 -12.468 -15.922 66 HA PRO 430 HA PRO 430 10.418 -10.144 -13.689 67 HB2 PRO 430 HB2 PRO 430 11.153 -7.588 -13.481 68 HB3 PRO 430 HB1 PRO 430 12.015 -8.690 -14.561 69 HG2 PRO 430 HG2 PRO 430 10.065 -6.545 -15.206 70 HG3 PRO 430 HG1 PRO 430 11.444 -7.128 -16.149 71 HD2 PRO 430 HD2 PRO 430 8.719 -7.833 -16.491 72 HD3 PRO 430 HD1 PRO 430 10.122 -8.564 -17.294 73 H VAL 431 HN VAL 431 7.631 -10.101 -13.986 74 HA VAL 431 HA VAL 431 6.560 -7.766 -12.738 75 HB VAL 431 HB VAL 431 4.376 -8.894 -12.932 76 HG11 VAL 431 HG11 VAL 431 6.011 -9.115 -15.456 77 HG12 VAL 431 HG12 VAL 431 5.378 -7.603 -14.804 78 HG13 VAL 431 HG13 VAL 431 4.269 -8.867 -15.335 79 HG21 VAL 431 HG21 VAL 431 5.019 -11.181 -12.530 80 HG22 VAL 431 HG22 VAL 431 6.038 -11.189 -13.970 81 HG23 VAL 431 HG23 VAL 431 4.286 -11.069 -14.131 82 H THR 432 HN THR 432 8.002 -10.426 -11.560 83 HA THR 432 HA THR 432 8.378 -11.228 -9.481 84 HB THR 432 HB THR 432 6.636 -8.960 -8.494 85 HG1 THR 432 HG1 THR 432 9.279 -9.124 -9.416 86 HG21 THR 432 HG21 THR 432 7.520 -11.087 -7.054 87 HG22 THR 432 HG22 THR 432 7.261 -9.476 -6.381 88 HG23 THR 432 HG23 THR 432 8.878 -9.979 -6.877 89 H GLN 433 HN GLN 433 4.986 -10.083 -9.206 90 HA GLN 433 HA GLN 433 4.120 -12.868 -9.026 91 HB2 GLN 433 HB2 GLN 433 3.541 -10.813 -6.887 92 HB3 GLN 433 HB1 GLN 433 2.721 -12.361 -7.022 93 HG2 GLN 433 HG2 GLN 433 4.895 -13.494 -6.723 94 HG3 GLN 433 HG1 GLN 433 5.647 -11.918 -6.482 95 HE21 GLN 433 HE21 GLN 433 4.710 -14.498 -4.853 96 HE22 GLN 433 HE22 GLN 433 4.217 -13.785 -3.358 97 H THR 434 HN THR 434 3.093 -9.465 -8.878 98 HA THR 434 HA THR 434 1.355 -8.349 -9.812 99 HB THR 434 HB THR 434 1.092 -10.671 -11.732 100 HG1 THR 434 HG1 THR 434 2.889 -8.488 -11.588 101 HG21 THR 434 HG21 THR 434 0.211 -8.950 -13.258 102 HG22 THR 434 HG22 THR 434 0.340 -7.752 -11.970 103 HG23 THR 434 HG23 THR 434 -0.780 -9.105 -11.807 104 H GLN 435 HN GLN 435 0.651 -9.401 -7.556 105 HA GLN 435 HA GLN 435 -1.703 -11.088 -7.843 106 HB2 GLN 435 HB2 GLN 435 -0.575 -9.766 -5.366 107 HB3 GLN 435 HB1 GLN 435 -1.822 -11.004 -5.407 108 HG2 GLN 435 HG2 GLN 435 1.024 -11.372 -6.318 109 HG3 GLN 435 HG1 GLN 435 0.377 -11.885 -4.764 110 HE21 GLN 435 HE21 GLN 435 0.003 -13.960 -4.679 111 HE22 GLN 435 HE22 GLN 435 -0.546 -14.963 -5.982 112 H THR 436 HN THR 436 -3.799 -10.413 -7.479 113 HA THR 436 HA THR 436 -5.554 -9.054 -7.867 114 HB THR 436 HB THR 436 -5.541 -6.823 -6.534 115 HG1 THR 436 HG1 THR 436 -3.353 -6.662 -6.019 116 HG21 THR 436 HG21 THR 436 -6.412 -7.934 -4.676 117 HG22 THR 436 HG22 THR 436 -5.308 -9.298 -4.861 118 HG23 THR 436 HG23 THR 436 -6.639 -9.079 -5.997 119 H ALA 437 HN ALA 437 -4.113 -9.071 -9.948 120 HA ALA 437 HA ALA 437 -2.783 -6.769 -10.787 121 HB1 ALA 437 HB1 ALA 437 -3.260 -9.297 -11.800 122 HB2 ALA 437 HB2 ALA 437 -2.292 -8.026 -12.550 123 HB3 ALA 437 HB3 ALA 437 -3.992 -8.215 -12.983 124 H GLY 438 HN GLY 438 -6.135 -7.775 -11.467 125 HA2 GLY 438 HA2 GLY 438 -6.756 -5.638 -13.190 126 HA3 GLY 438 HA1 GLY 438 -7.927 -6.599 -12.295 127 H ALA 439 HN ALA 439 -7.087 -5.992 -9.712 128 HA ALA 439 HA ALA 439 -6.859 -3.191 -9.284 129 HB1 ALA 439 HB1 ALA 439 -9.046 -2.695 -9.535 130 HB2 ALA 439 HB2 ALA 439 -9.207 -3.411 -7.930 131 HB3 ALA 439 HB3 ALA 439 -9.550 -4.375 -9.367 132 H ASP 440 HN ASP 440 -5.808 -2.989 -7.427 133 HA ASP 440 HA ASP 440 -5.344 -5.262 -5.763 134 HB2 ASP 440 HB2 ASP 440 -4.530 -2.365 -5.602 135 HB3 ASP 440 HB1 ASP 440 -4.163 -3.494 -4.303 136 H THR 441 HN THR 441 -6.468 -5.922 -4.051 137 HA THR 441 HA THR 441 -8.805 -4.503 -3.207 138 HB THR 441 HB THR 441 -8.777 -6.350 -1.382 139 HG1 THR 441 HG1 THR 441 -6.991 -7.489 -1.398 140 HG21 THR 441 HG21 THR 441 -9.673 -6.269 -4.039 141 HG22 THR 441 HG22 THR 441 -10.251 -7.319 -2.745 142 HG23 THR 441 HG23 THR 441 -8.964 -7.868 -3.820 143 H THR 442 HN THR 442 -5.592 -5.094 -1.951 144 HA THR 442 HA THR 442 -6.029 -3.568 0.472 145 HB THR 442 HB THR 442 -3.553 -4.784 -0.766 146 HG1 THR 442 HG1 THR 442 -5.453 -5.584 1.144 147 HG21 THR 442 HG21 THR 442 -3.138 -4.282 1.973 148 HG22 THR 442 HG22 THR 442 -3.747 -2.781 1.275 149 HG23 THR 442 HG23 THR 442 -2.302 -3.548 0.603 150 H ALA 443 HN ALA 443 -5.848 -1.401 0.587 151 HA ALA 443 HA ALA 443 -4.894 0.118 -1.665 152 HB1 ALA 443 HB1 ALA 443 -5.238 1.960 0.291 153 HB2 ALA 443 HB2 ALA 443 -6.318 0.678 0.842 154 HB3 ALA 443 HB3 ALA 443 -6.526 1.377 -0.764 155 H GLU 444 HN GLU 444 -3.929 -0.363 1.708 156 HA GLU 444 HA GLU 444 -1.391 0.951 1.284 157 HB2 GLU 444 HB2 GLU 444 -2.560 -0.461 3.680 158 HB3 GLU 444 HB1 GLU 444 -0.954 0.249 3.660 159 HG2 GLU 444 HG2 GLU 444 -1.981 2.446 3.172 160 HG3 GLU 444 HG1 GLU 444 -3.571 1.698 3.333 161 H LYS 445 HN LYS 445 -0.848 -0.597 -0.466 162 HA LYS 445 HA LYS 445 -0.186 -3.315 0.185 163 HB2 LYS 445 HB2 LYS 445 0.587 -1.592 -2.181 164 HB3 LYS 445 HB1 LYS 445 0.950 -3.304 -2.041 165 HG2 LYS 445 HG2 LYS 445 -1.819 -2.124 -2.087 166 HG3 LYS 445 HG1 LYS 445 -0.996 -2.845 -3.469 167 HD2 LYS 445 HD2 LYS 445 -1.610 -4.293 -0.894 168 HD3 LYS 445 HD1 LYS 445 -2.609 -4.368 -2.343 169 HE2 LYS 445 HE2 LYS 445 0.293 -5.166 -2.246 170 HE3 LYS 445 HE1 LYS 445 -1.046 -6.292 -2.045 171 HZ1 LYS 445 HZ1 LYS 445 -0.114 -4.911 -4.454 172 HZ2 LYS 445 HZ2 LYS 445 -1.777 -5.226 -4.323 173 HZ3 LYS 445 HZ3 LYS 445 -0.663 -6.503 -4.260 174 H CYS 446 HN CYS 446 0.930 -2.016 2.117 175 HA CYS 446 HA CYS 446 2.846 -1.786 3.335 176 HB2 CYS 446 HB2 CYS 446 3.736 -3.623 1.831 177 HB3 CYS 446 HB1 CYS 446 4.417 -2.347 0.839 178 H LYS 447 HN LYS 447 1.493 0.040 1.365 179 HA LYS 447 HA LYS 447 3.364 2.067 0.665 180 HB2 LYS 447 HB2 LYS 447 1.185 1.754 -0.475 181 HB3 LYS 447 HB1 LYS 447 0.361 2.241 0.999 182 HG2 LYS 447 HG2 LYS 447 1.308 4.451 0.852 183 HG3 LYS 447 HG1 LYS 447 2.265 3.974 -0.553 184 HD2 LYS 447 HD2 LYS 447 0.193 3.526 -1.792 185 HD3 LYS 447 HD1 LYS 447 -0.744 4.060 -0.396 186 HE2 LYS 447 HE2 LYS 447 0.211 6.281 -0.568 187 HE3 LYS 447 HE1 LYS 447 1.241 5.756 -1.900 188 HZ1 LYS 447 HZ1 LYS 447 -0.788 6.969 -2.600 189 HZ2 LYS 447 HZ2 LYS 447 -1.726 5.693 -1.987 190 HZ3 LYS 447 HZ3 LYS 447 -0.654 5.417 -3.271 191 H GLY 448 HN GLY 448 4.232 3.570 1.921 192 HA2 GLY 448 HA2 GLY 448 3.532 5.290 3.672 193 HA3 GLY 448 HA1 GLY 448 3.096 3.876 4.623 194 H LYS 449 HN LYS 449 5.420 2.321 3.595 195 HA LYS 449 HA LYS 449 7.220 3.210 5.628 196 HB2 LYS 449 HB2 LYS 449 7.392 0.958 3.633 197 HB3 LYS 449 HB1 LYS 449 8.590 1.256 4.888 198 HG2 LYS 449 HG2 LYS 449 6.903 0.945 6.602 199 HG3 LYS 449 HG1 LYS 449 5.674 0.703 5.362 200 HD2 LYS 449 HD2 LYS 449 6.347 -1.418 6.189 201 HD3 LYS 449 HD1 LYS 449 6.959 -1.257 4.547 202 HE2 LYS 449 HE2 LYS 449 8.696 -2.218 5.836 203 HE3 LYS 449 HE1 LYS 449 9.144 -0.534 5.574 204 HZ1 LYS 449 HZ1 LYS 449 7.661 -1.254 8.006 205 HZ2 LYS 449 HZ2 LYS 449 8.771 0.009 7.754 206 HZ3 LYS 449 HZ3 LYS 449 9.320 -1.589 7.930 207 H GLY 450 HN GLY 450 9.120 4.127 5.475 208 HA2 GLY 450 HA2 GLY 450 9.731 5.598 3.045 209 HA3 GLY 450 HA1 GLY 450 10.602 5.694 4.572 210 H GLU 451 HN GLU 451 11.937 5.574 2.093 211 HA GLU 451 HA GLU 451 12.645 2.977 1.320 212 HB2 GLU 451 HB2 GLU 451 13.149 4.962 -0.040 213 HB3 GLU 451 HB1 GLU 451 14.333 5.479 1.156 214 HG2 GLU 451 HG2 GLU 451 15.685 3.527 0.716 215 HG3 GLU 451 HG1 GLU 451 14.473 2.909 -0.403 216 H LYS 452 HN LYS 452 13.871 5.047 3.868 217 HA LYS 452 HA LYS 452 15.957 3.155 4.610 218 HB2 LYS 452 HB2 LYS 452 15.020 5.691 5.968 219 HB3 LYS 452 HB1 LYS 452 16.410 4.731 6.458 220 HG2 LYS 452 HG2 LYS 452 16.110 6.104 3.794 221 HG3 LYS 452 HG1 LYS 452 17.039 6.720 5.162 222 HD2 LYS 452 HD2 LYS 452 18.495 4.772 5.073 223 HD3 LYS 452 HD1 LYS 452 17.548 4.105 3.740 224 HE2 LYS 452 HE2 LYS 452 19.623 5.205 2.982 225 HE3 LYS 452 HE1 LYS 452 18.172 5.955 2.319 226 HZ1 LYS 452 HZ1 LYS 452 19.343 7.029 4.792 227 HZ2 LYS 452 HZ2 LYS 452 18.441 7.820 3.595 228 HZ3 LYS 452 HZ3 LYS 452 20.062 7.414 3.303 229 H ASP 453 HN ASP 453 13.409 2.072 4.551 230 HA ASP 453 HA ASP 453 13.165 1.014 7.214 231 HB2 ASP 453 HB2 ASP 453 11.905 3.141 7.411 232 HB3 ASP 453 HB1 ASP 453 10.875 2.636 6.076 233 H CYS 454 HN CYS 454 11.480 1.481 4.143 234 HA CYS 454 HA CYS 454 10.444 -1.215 4.046 235 HB2 CYS 454 HB2 CYS 454 9.637 1.074 2.878 236 HB3 CYS 454 HB1 CYS 454 10.635 0.436 1.574 237 H LYS 455 HN LYS 455 11.509 -2.962 3.128 238 HA LYS 455 HA LYS 455 13.951 -2.454 1.614 239 HB2 LYS 455 HB2 LYS 455 14.353 -2.662 4.121 240 HB3 LYS 455 HB1 LYS 455 13.841 -4.339 3.961 241 HG2 LYS 455 HG2 LYS 455 16.217 -4.264 3.919 242 HG3 LYS 455 HG1 LYS 455 15.635 -4.670 2.305 243 HD2 LYS 455 HD2 LYS 455 15.888 -2.296 1.660 244 HD3 LYS 455 HD1 LYS 455 16.584 -1.969 3.247 245 HE2 LYS 455 HE2 LYS 455 17.703 -3.866 1.187 246 HE3 LYS 455 HE1 LYS 455 18.316 -2.251 1.535 247 HZ1 LYS 455 HZ1 LYS 455 19.701 -3.472 2.830 248 HZ2 LYS 455 HZ2 LYS 455 18.584 -4.718 3.085 249 HZ3 LYS 455 HZ3 LYS 455 18.448 -3.265 3.952 250 H SER 456 HN SER 456 11.743 -3.249 0.485 251 HA SER 456 HA SER 456 10.661 -4.853 -0.726 252 HG SER 456 HG SER 456 12.126 -3.893 -2.807 253 HB2 SER 456 HB2 SER 456 13.543 -5.642 -1.133 254 HB3 SER 456 HB1 SER 456 12.209 -5.976 -2.238 255 HA PRO 457 HA PRO 457 11.287 -8.672 1.993 256 HB2 PRO 457 HB2 PRO 457 9.341 -8.032 3.943 257 HB3 PRO 457 HB1 PRO 457 11.087 -8.088 4.179 258 HG2 PRO 457 HG2 PRO 457 9.475 -5.804 4.304 259 HG3 PRO 457 HG1 PRO 457 11.241 -5.831 4.193 260 HD2 PRO 457 HD2 PRO 457 9.212 -5.366 2.065 261 HD3 PRO 457 HD1 PRO 457 10.848 -4.695 2.239 262 H ASP 458 HN ASP 458 8.336 -6.792 1.845 263 HA ASP 458 HA ASP 458 7.082 -8.669 0.033 264 HB2 ASP 458 HB2 ASP 458 6.465 -9.320 2.464 265 HB3 ASP 458 HB1 ASP 458 5.570 -7.806 2.505 266 H CYS 459 HN CYS 459 8.245 -6.179 -0.199 267 HA CYS 459 HA CYS 459 5.994 -4.458 -0.911 268 HB2 CYS 459 HB2 CYS 459 8.321 -3.326 0.650 269 HB3 CYS 459 HB1 CYS 459 6.727 -2.620 0.351 270 H LYS 460 HN LYS 460 6.388 -3.356 -2.770 271 HA LYS 460 HA LYS 460 9.139 -3.505 -3.811 272 HB2 LYS 460 HB2 LYS 460 7.266 -4.592 -5.150 273 HB3 LYS 460 HB1 LYS 460 6.679 -2.964 -5.465 274 HG2 LYS 460 HG2 LYS 460 8.927 -2.422 -6.410 275 HG3 LYS 460 HG1 LYS 460 9.334 -4.131 -6.263 276 HD2 LYS 460 HD2 LYS 460 7.289 -4.607 -7.663 277 HD3 LYS 460 HD1 LYS 460 7.204 -2.871 -7.967 278 HE2 LYS 460 HE2 LYS 460 9.522 -4.683 -8.624 279 HE3 LYS 460 HE1 LYS 460 8.367 -4.017 -9.776 280 HZ1 LYS 460 HZ1 LYS 460 10.247 -2.432 -8.106 281 HZ2 LYS 460 HZ2 LYS 460 9.145 -1.795 -9.231 282 HZ3 LYS 460 HZ3 LYS 460 10.434 -2.768 -9.757 283 H TRP 461 HN TRP 461 10.195 -1.681 -4.359 284 HA TRP 461 HA TRP 461 8.997 0.818 -3.478 285 HD1 TRP 461 HD1 TRP 461 12.468 2.989 -4.954 286 HE1 TRP 461 HE1 TRP 461 12.305 5.126 -3.512 287 HE3 TRP 461 HE3 TRP 461 9.657 1.152 -1.105 288 HZ2 TRP 461 HZ2 TRP 461 11.134 5.899 -1.064 289 HZ3 TRP 461 HZ3 TRP 461 9.052 2.650 0.734 290 HH2 TRP 461 HH2 TRP 461 9.771 4.982 0.756 291 HB2 TRP 461 HB2 TRP 461 11.431 0.047 -3.037 292 HB3 TRP 461 HB1 TRP 461 11.735 0.547 -4.700 293 H GLU 462 HN GLU 462 8.068 2.241 -4.804 294 HA GLU 462 HA GLU 462 8.921 2.410 -7.587 295 HB2 GLU 462 HB2 GLU 462 6.126 1.705 -6.714 296 HB3 GLU 462 HB1 GLU 462 6.453 2.450 -8.270 297 HG2 GLU 462 HG2 GLU 462 7.665 -0.145 -7.356 298 HG3 GLU 462 HG1 GLU 462 6.205 -0.016 -8.336 299 H GLY 463 HN GLY 463 9.215 4.464 -8.048 300 HA2 GLY 463 HA2 GLY 463 9.056 6.752 -8.015 301 HA3 GLY 463 HA1 GLY 463 7.332 6.478 -7.823 302 H GLY 464 HN GLY 464 10.058 5.832 -5.630 303 HA2 GLY 464 HA2 GLY 464 10.456 6.516 -3.474 304 HA3 GLY 464 HA1 GLY 464 9.628 8.005 -3.908 305 H THR 465 HN THR 465 8.192 4.805 -3.949 306 HA THR 465 HA THR 465 6.809 5.202 -1.443 307 HB THR 465 HB THR 465 5.349 5.122 -4.066 308 HG1 THR 465 HG1 THR 465 6.173 7.140 -2.569 309 HG21 THR 465 HG21 THR 465 4.294 3.681 -2.353 310 HG22 THR 465 HG22 THR 465 3.288 5.049 -2.826 311 HG23 THR 465 HG23 THR 465 4.168 5.088 -1.298 312 H CYS 466 HN CYS 466 6.351 3.254 -0.512 313 HA CYS 466 HA CYS 466 7.111 0.884 -2.008 314 HB2 CYS 466 HB2 CYS 466 7.186 1.608 0.726 315 HB3 CYS 466 HB1 CYS 466 6.076 0.253 0.601 316 H LYS 467 HN LYS 467 5.741 -0.523 -2.903 317 HA LYS 467 HA LYS 467 3.076 -0.949 -1.985 318 HB2 LYS 467 HB2 LYS 467 1.875 -0.080 -3.926 319 HB3 LYS 467 HB1 LYS 467 2.729 1.218 -3.105 320 HG2 LYS 467 HG2 LYS 467 4.485 1.140 -4.796 321 HG3 LYS 467 HG1 LYS 467 3.643 -0.177 -5.615 322 HD2 LYS 467 HD2 LYS 467 1.673 1.360 -5.845 323 HD3 LYS 467 HD1 LYS 467 2.707 2.663 -5.254 324 HE2 LYS 467 HE2 LYS 467 2.676 2.723 -7.655 325 HE3 LYS 467 HE1 LYS 467 4.272 2.202 -7.119 326 HZ1 LYS 467 HZ1 LYS 467 3.621 -0.098 -7.571 327 HZ2 LYS 467 HZ2 LYS 467 3.504 0.860 -8.968 328 HZ3 LYS 467 HZ3 LYS 467 2.102 0.425 -8.115 329 H ASP 468 HN ASP 468 2.398 -2.918 -2.641 330 HA ASP 468 HA ASP 468 4.196 -4.418 -4.363 331 HB2 ASP 468 HB2 ASP 468 3.290 -5.374 -2.232 332 HB3 ASP 468 HB1 ASP 468 1.686 -5.363 -2.956 Start of MODEL 19 1 H1 GLY 421 HT1 GLY 421 8.179 11.748 3.548 2 H2 GLY 421 HT2 GLY 421 9.124 13.097 3.141 3 H3 GLY 421 HT3 GLY 421 7.551 12.949 2.532 4 HA2 GLY 421 HA1 GLY 421 7.894 14.540 4.465 5 HA3 GLY 421 HA2 GLY 421 6.558 13.398 4.563 6 H THR 422 HN THR 422 8.580 14.789 6.502 7 HA THR 422 HA THR 422 10.031 12.708 7.755 8 HB THR 422 HB THR 422 9.092 15.303 8.989 9 HG1 THR 422 HG1 THR 422 11.479 14.719 7.523 10 HG21 THR 422 HG21 THR 422 11.198 13.291 9.713 11 HG22 THR 422 HG22 THR 422 9.950 14.005 10.735 12 HG23 THR 422 HG23 THR 422 11.333 14.974 10.225 13 H LYS 423 HN LYS 423 9.190 11.023 8.788 14 HA LYS 423 HA LYS 423 6.510 11.068 9.857 15 HB2 LYS 423 HB2 LYS 423 7.854 9.080 8.773 16 HB3 LYS 423 HB1 LYS 423 8.491 8.876 10.395 17 HG2 LYS 423 HG2 LYS 423 5.557 8.873 9.731 18 HG3 LYS 423 HG1 LYS 423 6.548 7.421 9.848 19 HD2 LYS 423 HD2 LYS 423 7.078 8.023 12.188 20 HD3 LYS 423 HD1 LYS 423 5.994 9.408 12.048 21 HE2 LYS 423 HE2 LYS 423 4.126 7.897 11.594 22 HE3 LYS 423 HE1 LYS 423 5.209 6.513 11.731 23 HZ1 LYS 423 HZ1 LYS 423 3.936 6.918 13.773 24 HZ2 LYS 423 HZ2 LYS 423 4.644 8.452 13.911 25 HZ3 LYS 423 HZ3 LYS 423 5.609 7.064 14.032 26 H ALA 424 HN ALA 424 9.807 10.813 11.095 27 HA ALA 424 HA ALA 424 10.766 11.246 13.092 28 HB1 ALA 424 HB1 ALA 424 9.099 13.001 14.424 29 HB2 ALA 424 HB2 ALA 424 8.742 13.288 12.720 30 HB3 ALA 424 HB3 ALA 424 10.398 13.427 13.310 31 H SER 425 HN SER 425 9.483 11.941 15.584 32 HA SER 425 HA SER 425 8.646 10.986 17.464 33 HG SER 425 HG SER 425 6.638 11.821 16.440 34 HB2 SER 425 HB2 SER 425 7.071 9.149 15.647 35 HB3 SER 425 HB1 SER 425 6.717 9.544 17.329 36 H LYS 426 HN LYS 426 8.374 8.677 18.547 37 HA LYS 426 HA LYS 426 10.852 7.250 18.038 38 HB2 LYS 426 HB2 LYS 426 8.685 6.762 20.090 39 HB3 LYS 426 HB1 LYS 426 10.220 5.913 20.018 40 HG2 LYS 426 HG2 LYS 426 11.323 8.181 20.269 41 HG3 LYS 426 HG1 LYS 426 9.721 8.791 20.689 42 HD2 LYS 426 HD2 LYS 426 10.678 8.298 22.759 43 HD3 LYS 426 HD1 LYS 426 9.672 6.890 22.422 44 HE2 LYS 426 HE2 LYS 426 12.636 7.054 21.879 45 HE3 LYS 426 HE1 LYS 426 11.922 6.332 23.318 46 HZ1 LYS 426 HZ1 LYS 426 12.377 4.582 21.834 47 HZ2 LYS 426 HZ2 LYS 426 11.702 5.394 20.511 48 HZ3 LYS 426 HZ3 LYS 426 10.700 4.812 21.749 49 H SER 427 HN SER 427 9.273 7.066 15.866 50 HA SER 427 HA SER 427 7.471 4.896 15.849 51 HG SER 427 HG SER 427 8.001 7.842 14.098 52 HB2 SER 427 HB2 SER 427 8.964 6.058 13.494 53 HB3 SER 427 HB1 SER 427 7.412 5.220 13.469 54 H GLY 428 HN GLY 428 7.763 2.775 15.561 55 HA2 GLY 428 HA2 GLY 428 10.483 1.748 15.370 56 HA3 GLY 428 HA1 GLY 428 9.021 0.804 15.621 57 H VAL 429 HN VAL 429 9.487 -0.699 14.030 58 HA VAL 429 HA VAL 429 9.713 0.280 11.273 59 HB VAL 429 HB VAL 429 9.789 -2.606 12.153 60 HG11 VAL 429 HG11 VAL 429 11.397 -1.815 9.875 61 HG12 VAL 429 HG12 VAL 429 9.690 -1.434 9.647 62 HG13 VAL 429 HG13 VAL 429 10.184 -3.086 10.015 63 HG21 VAL 429 HG21 VAL 429 11.546 -0.894 13.161 64 HG22 VAL 429 HG22 VAL 429 12.304 -1.135 11.588 65 HG23 VAL 429 HG23 VAL 429 12.009 -2.515 12.645 66 HA PRO 430 HA PRO 430 5.302 -0.287 11.127 67 HB2 PRO 430 HB2 PRO 430 4.919 0.738 8.650 68 HB3 PRO 430 HB1 PRO 430 5.237 1.743 10.067 69 HG2 PRO 430 HG2 PRO 430 7.102 0.861 7.907 70 HG3 PRO 430 HG1 PRO 430 6.980 2.437 8.710 71 HD2 PRO 430 HD2 PRO 430 8.870 0.572 9.334 72 HD3 PRO 430 HD1 PRO 430 8.253 1.767 10.491 73 H VAL 431 HN VAL 431 6.347 -2.699 10.904 74 HA VAL 431 HA VAL 431 5.812 -3.880 8.300 75 HB VAL 431 HB VAL 431 6.173 -5.440 10.850 76 HG11 VAL 431 HG11 VAL 431 7.433 -6.914 9.130 77 HG12 VAL 431 HG12 VAL 431 6.554 -5.962 7.930 78 HG13 VAL 431 HG13 VAL 431 5.670 -6.902 9.134 79 HG21 VAL 431 HG21 VAL 431 8.580 -5.407 10.556 80 HG22 VAL 431 HG22 VAL 431 7.971 -3.766 10.779 81 HG23 VAL 431 HG23 VAL 431 8.417 -4.328 9.167 82 H THR 432 HN THR 432 3.627 -2.544 8.988 83 HA THR 432 HA THR 432 1.380 -2.634 9.256 84 HB THR 432 HB THR 432 1.669 -5.644 9.423 85 HG1 THR 432 HG1 THR 432 2.004 -5.541 7.339 86 HG21 THR 432 HG21 THR 432 -0.602 -3.803 9.521 87 HG22 THR 432 HG22 THR 432 -0.505 -5.502 9.981 88 HG23 THR 432 HG23 THR 432 -0.766 -5.061 8.294 89 H GLN 433 HN GLN 433 2.307 -5.422 11.252 90 HA GLN 433 HA GLN 433 2.064 -5.890 13.458 91 HB2 GLN 433 HB2 GLN 433 2.993 -3.022 13.643 92 HB3 GLN 433 HB1 GLN 433 3.078 -4.208 14.941 93 HG2 GLN 433 HG2 GLN 433 4.509 -4.347 12.296 94 HG3 GLN 433 HG1 GLN 433 5.228 -3.979 13.865 95 HE21 GLN 433 HE21 GLN 433 4.705 -6.363 11.640 96 HE22 GLN 433 HE22 GLN 433 4.939 -7.744 12.659 97 H THR 434 HN THR 434 1.524 -4.074 15.616 98 HA THR 434 HA THR 434 -1.247 -4.450 15.810 99 HB THR 434 HB THR 434 0.269 -2.501 17.528 100 HG1 THR 434 HG1 THR 434 1.643 -4.117 17.798 101 HG21 THR 434 HG21 THR 434 -1.237 -3.110 19.218 102 HG22 THR 434 HG22 THR 434 -1.717 -4.588 18.384 103 HG23 THR 434 HG23 THR 434 -2.241 -3.019 17.772 104 H GLN 435 HN GLN 435 0.696 -1.559 15.210 105 HA GLN 435 HA GLN 435 -1.309 0.367 15.287 106 HB2 GLN 435 HB2 GLN 435 1.151 0.790 15.158 107 HB3 GLN 435 HB1 GLN 435 1.095 0.358 13.456 108 HG2 GLN 435 HG2 GLN 435 -0.562 2.209 13.136 109 HG3 GLN 435 HG1 GLN 435 -0.228 2.698 14.796 110 HE21 GLN 435 HE21 GLN 435 2.546 1.407 13.492 111 HE22 GLN 435 HE22 GLN 435 3.300 2.870 12.960 112 H THR 436 HN THR 436 -0.490 -1.930 12.801 113 HA THR 436 HA THR 436 -1.465 -2.504 10.832 114 HB THR 436 HB THR 436 -3.787 -0.673 11.436 115 HG1 THR 436 HG1 THR 436 -2.924 -2.495 13.093 116 HG21 THR 436 HG21 THR 436 -4.320 -3.343 10.406 117 HG22 THR 436 HG22 THR 436 -3.246 -2.423 9.351 118 HG23 THR 436 HG23 THR 436 -4.828 -1.775 9.783 119 H ALA 437 HN ALA 437 0.464 -0.743 10.679 120 HA ALA 437 HA ALA 437 -0.138 1.797 9.636 121 HB1 ALA 437 HB1 ALA 437 2.239 1.940 9.124 122 HB2 ALA 437 HB2 ALA 437 2.407 0.204 9.384 123 HB3 ALA 437 HB3 ALA 437 1.976 1.259 10.731 124 H GLY 438 HN GLY 438 -1.777 0.943 8.059 125 HA2 GLY 438 HA2 GLY 438 -0.887 1.374 5.445 126 HA3 GLY 438 HA1 GLY 438 -1.019 -0.365 5.677 127 H ALA 439 HN ALA 439 -3.038 2.103 7.169 128 HA ALA 439 HA ALA 439 -5.380 0.781 6.022 129 HB1 ALA 439 HB1 ALA 439 -6.393 2.711 7.645 130 HB2 ALA 439 HB2 ALA 439 -4.842 2.384 8.417 131 HB3 ALA 439 HB3 ALA 439 -5.993 1.073 8.165 132 H ASP 440 HN ASP 440 -3.746 2.344 4.281 133 HA ASP 440 HA ASP 440 -5.028 4.872 3.796 134 HB2 ASP 440 HB2 ASP 440 -2.640 4.262 3.148 135 HB3 ASP 440 HB1 ASP 440 -3.332 3.290 1.855 136 H THR 441 HN THR 441 -6.291 5.344 1.872 137 HA THR 441 HA THR 441 -8.396 3.518 1.427 138 HB THR 441 HB THR 441 -8.650 5.966 1.149 139 HG1 THR 441 HG1 THR 441 -9.317 4.217 -0.978 140 HG21 THR 441 HG21 THR 441 -6.690 5.505 -1.042 141 HG22 THR 441 HG22 THR 441 -6.834 6.859 0.080 142 HG23 THR 441 HG23 THR 441 -7.942 6.723 -1.286 143 H THR 442 HN THR 442 -5.321 3.941 -0.033 144 HA THR 442 HA THR 442 -5.806 2.578 -2.489 145 HB THR 442 HB THR 442 -3.188 2.966 -1.022 146 HG1 THR 442 HG1 THR 442 -4.706 4.658 -2.734 147 HG21 THR 442 HG21 THR 442 -3.839 1.710 -3.512 148 HG22 THR 442 HG22 THR 442 -2.256 1.923 -2.759 149 HG23 THR 442 HG23 THR 442 -2.906 3.172 -3.826 150 H ALA 443 HN ALA 443 -5.627 1.542 0.707 151 HA ALA 443 HA ALA 443 -5.797 -0.496 1.689 152 HB1 ALA 443 HB1 ALA 443 -5.448 -2.465 -0.208 153 HB2 ALA 443 HB2 ALA 443 -6.260 -1.166 -1.087 154 HB3 ALA 443 HB3 ALA 443 -6.987 -1.832 0.377 155 H GLU 444 HN GLU 444 -3.269 -0.060 -0.679 156 HA GLU 444 HA GLU 444 -1.633 -2.174 0.003 157 HB2 GLU 444 HB2 GLU 444 -0.549 0.524 -0.779 158 HB3 GLU 444 HB1 GLU 444 0.131 -1.060 -1.120 159 HG2 GLU 444 HG2 GLU 444 -2.351 0.135 -2.325 160 HG3 GLU 444 HG1 GLU 444 -0.802 -0.117 -3.117 161 H LYS 445 HN LYS 445 -0.764 -2.700 1.844 162 HA LYS 445 HA LYS 445 -0.598 -0.904 4.054 163 HB2 LYS 445 HB2 LYS 445 0.585 -3.663 3.704 164 HB3 LYS 445 HB1 LYS 445 0.510 -2.783 5.223 165 HG2 LYS 445 HG2 LYS 445 -1.946 -2.790 5.077 166 HG3 LYS 445 HG1 LYS 445 -1.835 -3.748 3.599 167 HD2 LYS 445 HD2 LYS 445 -0.796 -4.564 6.315 168 HD3 LYS 445 HD1 LYS 445 -2.276 -5.155 5.556 169 HE2 LYS 445 HE2 LYS 445 -0.985 -6.129 3.744 170 HE3 LYS 445 HE1 LYS 445 0.505 -5.486 4.433 171 HZ1 LYS 445 HZ1 LYS 445 -1.015 -7.089 6.282 172 HZ2 LYS 445 HZ2 LYS 445 0.634 -7.156 5.881 173 HZ3 LYS 445 HZ3 LYS 445 -0.507 -7.948 4.909 174 H CYS 446 HN CYS 446 1.619 -2.006 1.617 175 HA CYS 446 HA CYS 446 3.995 -1.196 2.966 176 HB2 CYS 446 HB2 CYS 446 3.616 -1.603 -0.007 177 HB3 CYS 446 HB1 CYS 446 5.129 -1.643 0.885 178 H LYS 447 HN LYS 447 1.711 0.326 0.807 179 HA LYS 447 HA LYS 447 3.206 2.460 -0.120 180 HB2 LYS 447 HB2 LYS 447 0.947 1.869 -0.934 181 HB3 LYS 447 HB1 LYS 447 0.264 2.481 0.569 182 HG2 LYS 447 HG2 LYS 447 1.305 4.693 0.023 183 HG3 LYS 447 HG1 LYS 447 1.692 4.033 -1.563 184 HD2 LYS 447 HD2 LYS 447 -0.656 3.664 -2.024 185 HD3 LYS 447 HD1 LYS 447 -1.084 4.205 -0.399 186 HE2 LYS 447 HE2 LYS 447 -0.104 6.420 -0.930 187 HE3 LYS 447 HE1 LYS 447 0.177 5.865 -2.579 188 HZ1 LYS 447 HZ1 LYS 447 -2.093 7.061 -1.612 189 HZ2 LYS 447 HZ2 LYS 447 -2.522 5.432 -1.783 190 HZ3 LYS 447 HZ3 LYS 447 -1.921 6.293 -3.111 191 H GLY 448 HN GLY 448 3.887 4.349 0.678 192 HA2 GLY 448 HA2 GLY 448 3.663 6.257 2.090 193 HA3 GLY 448 HA1 GLY 448 2.802 5.259 3.251 194 H LYS 449 HN LYS 449 4.826 3.099 3.014 195 HA LYS 449 HA LYS 449 6.433 3.905 5.172 196 HB2 LYS 449 HB2 LYS 449 6.562 1.526 3.337 197 HB3 LYS 449 HB1 LYS 449 7.689 1.746 4.670 198 HG2 LYS 449 HG2 LYS 449 5.899 1.717 6.260 199 HG3 LYS 449 HG1 LYS 449 4.697 1.685 4.971 200 HD2 LYS 449 HD2 LYS 449 4.918 -0.518 5.852 201 HD3 LYS 449 HD1 LYS 449 5.636 -0.501 4.245 202 HE2 LYS 449 HE2 LYS 449 7.853 -0.363 5.214 203 HE3 LYS 449 HE1 LYS 449 7.162 -0.279 6.835 204 HZ1 LYS 449 HZ1 LYS 449 6.092 -2.516 6.209 205 HZ2 LYS 449 HZ2 LYS 449 7.742 -2.498 6.604 206 HZ3 LYS 449 HZ3 LYS 449 7.260 -2.572 4.983 207 H GLY 450 HN GLY 450 8.553 4.376 5.375 208 HA2 GLY 450 HA2 GLY 450 9.772 5.819 3.202 209 HA3 GLY 450 HA1 GLY 450 10.470 5.539 4.793 210 H GLU 451 HN GLU 451 12.011 5.395 2.461 211 HA GLU 451 HA GLU 451 12.195 2.862 1.303 212 HB2 GLU 451 HB2 GLU 451 13.290 4.990 0.510 213 HB3 GLU 451 HB1 GLU 451 14.517 4.740 1.742 214 HG2 GLU 451 HG2 GLU 451 13.961 2.546 -0.194 215 HG3 GLU 451 HG1 GLU 451 14.879 3.949 -0.736 216 H LYS 452 HN LYS 452 13.826 4.158 4.157 217 HA LYS 452 HA LYS 452 15.420 1.870 4.671 218 HB2 LYS 452 HB2 LYS 452 14.453 4.083 6.488 219 HB3 LYS 452 HB1 LYS 452 15.599 2.843 6.983 220 HG2 LYS 452 HG2 LYS 452 17.183 3.587 5.322 221 HG3 LYS 452 HG1 LYS 452 16.024 4.768 4.706 222 HD2 LYS 452 HD2 LYS 452 16.099 5.998 6.765 223 HD3 LYS 452 HD1 LYS 452 17.085 4.750 7.530 224 HE2 LYS 452 HE2 LYS 452 18.458 6.651 6.884 225 HE3 LYS 452 HE1 LYS 452 18.899 5.221 5.954 226 HZ1 LYS 452 HZ1 LYS 452 18.830 6.962 4.420 227 HZ2 LYS 452 HZ2 LYS 452 17.392 7.603 5.049 228 HZ3 LYS 452 HZ3 LYS 452 17.364 6.146 4.179 229 H ASP 453 HN ASP 453 12.171 2.813 5.604 230 HA ASP 453 HA ASP 453 11.785 0.660 7.450 231 HB2 ASP 453 HB2 ASP 453 9.731 2.388 6.056 232 HB3 ASP 453 HB1 ASP 453 9.426 1.340 7.437 233 H CYS 454 HN CYS 454 10.804 1.317 4.132 234 HA CYS 454 HA CYS 454 9.213 -0.895 3.636 235 HB2 CYS 454 HB2 CYS 454 9.433 1.060 2.114 236 HB3 CYS 454 HB1 CYS 454 11.067 0.545 1.720 237 H LYS 455 HN LYS 455 9.656 -2.994 3.674 238 HA LYS 455 HA LYS 455 12.365 -3.999 3.437 239 HB2 LYS 455 HB2 LYS 455 10.691 -4.954 5.043 240 HB3 LYS 455 HB1 LYS 455 9.746 -5.501 3.665 241 HG2 LYS 455 HG2 LYS 455 11.050 -7.314 4.541 242 HG3 LYS 455 HG1 LYS 455 11.637 -6.872 2.937 243 HD2 LYS 455 HD2 LYS 455 13.528 -7.240 4.387 244 HD3 LYS 455 HD1 LYS 455 13.410 -5.521 4.006 245 HE2 LYS 455 HE2 LYS 455 12.355 -5.099 6.156 246 HE3 LYS 455 HE1 LYS 455 12.410 -6.819 6.537 247 HZ1 LYS 455 HZ1 LYS 455 14.567 -6.714 7.076 248 HZ2 LYS 455 HZ2 LYS 455 14.293 -5.050 7.258 249 HZ3 LYS 455 HZ3 LYS 455 14.956 -5.648 5.816 250 H SER 456 HN SER 456 13.153 -4.032 1.429 251 HA SER 456 HA SER 456 11.648 -3.701 -0.846 252 HG SER 456 HG SER 456 13.556 -2.312 -0.314 253 HB2 SER 456 HB2 SER 456 14.389 -4.966 -0.804 254 HB3 SER 456 HB1 SER 456 13.676 -3.990 -2.090 255 HA PRO 457 HA PRO 457 12.167 -8.422 -1.946 256 HB2 PRO 457 HB2 PRO 457 12.031 -10.021 0.320 257 HB3 PRO 457 HB1 PRO 457 13.502 -9.677 -0.593 258 HG2 PRO 457 HG2 PRO 457 12.495 -8.435 1.925 259 HG3 PRO 457 HG1 PRO 457 14.157 -8.832 1.449 260 HD2 PRO 457 HD2 PRO 457 13.222 -6.316 1.371 261 HD3 PRO 457 HD1 PRO 457 14.380 -6.924 0.168 262 H ASP 458 HN ASP 458 10.500 -7.453 1.013 263 HA ASP 458 HA ASP 458 8.158 -9.012 0.491 264 HB2 ASP 458 HB2 ASP 458 9.152 -8.134 2.759 265 HB3 ASP 458 HB1 ASP 458 8.195 -6.701 2.399 266 H CYS 459 HN CYS 459 8.936 -5.522 0.320 267 HA CYS 459 HA CYS 459 6.620 -5.228 -1.482 268 HB2 CYS 459 HB2 CYS 459 7.521 -3.067 0.418 269 HB3 CYS 459 HB1 CYS 459 6.073 -3.097 -0.578 270 H LYS 460 HN LYS 460 7.079 -4.203 -3.347 271 HA LYS 460 HA LYS 460 9.859 -3.711 -3.897 272 HB2 LYS 460 HB2 LYS 460 7.510 -3.285 -5.749 273 HB3 LYS 460 HB1 LYS 460 9.196 -3.509 -6.197 274 HG2 LYS 460 HG2 LYS 460 7.326 -5.555 -5.023 275 HG3 LYS 460 HG1 LYS 460 8.034 -5.543 -6.638 276 HD2 LYS 460 HD2 LYS 460 10.236 -5.913 -5.724 277 HD3 LYS 460 HD1 LYS 460 9.618 -5.765 -4.077 278 HE2 LYS 460 HE2 LYS 460 8.158 -7.745 -4.540 279 HE3 LYS 460 HE1 LYS 460 8.995 -7.930 -6.080 280 HZ1 LYS 460 HZ1 LYS 460 10.190 -9.333 -4.749 281 HZ2 LYS 460 HZ2 LYS 460 9.987 -8.392 -3.358 282 HZ3 LYS 460 HZ3 LYS 460 11.093 -7.911 -4.552 283 H TRP 461 HN TRP 461 10.878 -1.812 -4.040 284 HA TRP 461 HA TRP 461 9.449 0.598 -3.301 285 HD1 TRP 461 HD1 TRP 461 13.127 2.754 -4.451 286 HE1 TRP 461 HE1 TRP 461 12.785 5.003 -3.239 287 HE3 TRP 461 HE3 TRP 461 9.823 1.243 -0.862 288 HZ2 TRP 461 HZ2 TRP 461 11.303 5.984 -1.038 289 HZ3 TRP 461 HZ3 TRP 461 8.996 2.894 0.746 290 HH2 TRP 461 HH2 TRP 461 9.721 5.222 0.659 291 HB2 TRP 461 HB2 TRP 461 11.761 -0.018 -2.443 292 HB3 TRP 461 HB1 TRP 461 12.367 0.325 -4.061 293 H GLU 462 HN GLU 462 8.576 1.941 -4.777 294 HA GLU 462 HA GLU 462 9.873 2.531 -7.268 295 HB2 GLU 462 HB2 GLU 462 8.767 0.269 -7.642 296 HB3 GLU 462 HB1 GLU 462 7.225 1.091 -7.456 297 HG2 GLU 462 HG2 GLU 462 7.613 0.910 -9.771 298 HG3 GLU 462 HG1 GLU 462 7.920 2.594 -9.347 299 H GLY 463 HN GLY 463 9.183 4.454 -8.064 300 HA2 GLY 463 HA2 GLY 463 7.954 6.379 -8.289 301 HA3 GLY 463 HA1 GLY 463 6.572 5.501 -7.651 302 H GLY 464 HN GLY 464 9.666 5.980 -6.039 303 HA2 GLY 464 HA2 GLY 464 10.210 7.005 -4.066 304 HA3 GLY 464 HA1 GLY 464 9.042 8.233 -4.520 305 H THR 465 HN THR 465 8.277 4.857 -3.938 306 HA THR 465 HA THR 465 7.472 5.209 -1.245 307 HB THR 465 HB THR 465 5.654 6.473 -2.494 308 HG1 THR 465 HG1 THR 465 4.385 5.930 -0.877 309 HG21 THR 465 HG21 THR 465 4.292 3.946 -3.154 310 HG22 THR 465 HG22 THR 465 5.641 4.375 -4.206 311 HG23 THR 465 HG23 THR 465 4.292 5.493 -4.002 312 H CYS 466 HN CYS 466 6.507 3.284 -0.379 313 HA CYS 466 HA CYS 466 7.673 0.940 -1.571 314 HB2 CYS 466 HB2 CYS 466 7.727 1.599 0.885 315 HB3 CYS 466 HB1 CYS 466 6.024 1.173 0.955 316 H LYS 467 HN LYS 467 6.597 -0.391 -2.933 317 HA LYS 467 HA LYS 467 3.737 0.005 -3.271 318 HB2 LYS 467 HB2 LYS 467 5.749 -1.594 -4.863 319 HB3 LYS 467 HB1 LYS 467 4.042 -1.475 -5.268 320 HG2 LYS 467 HG2 LYS 467 5.874 0.902 -5.074 321 HG3 LYS 467 HG1 LYS 467 5.558 0.023 -6.570 322 HD2 LYS 467 HD2 LYS 467 3.134 0.497 -6.268 323 HD3 LYS 467 HD1 LYS 467 3.546 1.493 -4.870 324 HE2 LYS 467 HE2 LYS 467 4.863 2.962 -6.264 325 HE3 LYS 467 HE1 LYS 467 4.571 1.936 -7.669 326 HZ1 LYS 467 HZ1 LYS 467 3.116 3.823 -7.728 327 HZ2 LYS 467 HZ2 LYS 467 2.541 3.505 -6.167 328 HZ3 LYS 467 HZ3 LYS 467 2.184 2.434 -7.433 329 H ASP 468 HN ASP 468 2.188 -1.598 -3.168 330 HA ASP 468 HA ASP 468 3.000 -4.120 -1.864 331 HB2 ASP 468 HB2 ASP 468 1.745 -2.424 -0.398 332 HB3 ASP 468 HB1 ASP 468 0.350 -2.742 -1.420 Start of MODEL 20 1 H1 GLY 421 HT1 GLY 421 -33.511 13.464 -9.827 2 H2 GLY 421 HT2 GLY 421 -34.646 14.650 -10.260 3 H3 GLY 421 HT3 GLY 421 -35.119 13.027 -10.137 4 HA2 GLY 421 HA1 GLY 421 -34.244 14.790 -7.913 5 HA3 GLY 421 HA2 GLY 421 -35.882 14.224 -8.208 6 H THR 422 HN THR 422 -35.819 11.665 -8.580 7 HA THR 422 HA THR 422 -35.153 10.524 -6.075 8 HB THR 422 HB THR 422 -35.746 9.049 -8.650 9 HG1 THR 422 HG1 THR 422 -37.378 10.613 -8.180 10 HG21 THR 422 HG21 THR 422 -35.116 8.142 -6.068 11 HG22 THR 422 HG22 THR 422 -35.758 7.196 -7.411 12 HG23 THR 422 HG23 THR 422 -36.858 7.930 -6.245 13 H LYS 423 HN LYS 423 -33.286 9.624 -5.386 14 HA LYS 423 HA LYS 423 -30.955 9.778 -6.997 15 HB2 LYS 423 HB2 LYS 423 -30.900 10.022 -4.549 16 HB3 LYS 423 HB1 LYS 423 -31.364 8.337 -4.369 17 HG2 LYS 423 HG2 LYS 423 -29.063 8.341 -4.013 18 HG3 LYS 423 HG1 LYS 423 -29.235 7.794 -5.679 19 HD2 LYS 423 HD2 LYS 423 -28.675 10.659 -4.913 20 HD3 LYS 423 HD1 LYS 423 -27.412 9.485 -5.272 21 HE2 LYS 423 HE2 LYS 423 -29.593 10.388 -7.151 22 HE3 LYS 423 HE1 LYS 423 -27.899 10.874 -7.214 23 HZ1 LYS 423 HZ1 LYS 423 -27.828 9.198 -8.705 24 HZ2 LYS 423 HZ2 LYS 423 -29.145 8.368 -8.031 25 HZ3 LYS 423 HZ3 LYS 423 -27.613 8.250 -7.314 26 H ALA 424 HN ALA 424 -33.025 7.119 -5.972 27 HA ALA 424 HA ALA 424 -33.311 5.004 -6.725 28 HB1 ALA 424 HB1 ALA 424 -32.239 4.560 -9.095 29 HB2 ALA 424 HB2 ALA 424 -32.108 6.318 -9.103 30 HB3 ALA 424 HB3 ALA 424 -33.684 5.554 -8.907 31 H SER 425 HN SER 425 -31.316 3.603 -8.463 32 HA SER 425 HA SER 425 -29.657 2.091 -8.150 33 HG SER 425 HG SER 425 -28.923 4.164 -9.089 34 HB2 SER 425 HB2 SER 425 -28.400 4.248 -6.436 35 HB3 SER 425 HB1 SER 425 -27.566 2.889 -7.188 36 H LYS 426 HN LYS 426 -31.880 1.825 -6.549 37 HA LYS 426 HA LYS 426 -31.168 1.488 -3.801 38 HB2 LYS 426 HB2 LYS 426 -33.494 1.983 -4.825 39 HB3 LYS 426 HB1 LYS 426 -33.575 0.250 -5.111 40 HG2 LYS 426 HG2 LYS 426 -33.318 -0.177 -2.735 41 HG3 LYS 426 HG1 LYS 426 -33.172 1.555 -2.428 42 HD2 LYS 426 HD2 LYS 426 -35.460 1.769 -3.537 43 HD3 LYS 426 HD1 LYS 426 -35.577 0.017 -3.366 44 HE2 LYS 426 HE2 LYS 426 -36.662 1.096 -1.494 45 HE3 LYS 426 HE1 LYS 426 -35.212 0.260 -0.940 46 HZ1 LYS 426 HZ1 LYS 426 -35.133 3.127 -1.643 47 HZ2 LYS 426 HZ2 LYS 426 -34.079 2.250 -0.648 48 HZ3 LYS 426 HZ3 LYS 426 -35.640 2.628 -0.104 49 H SER 427 HN SER 427 -30.476 -0.265 -2.774 50 HA SER 427 HA SER 427 -29.568 -2.307 -2.399 51 HG SER 427 HG SER 427 -31.874 -2.500 -1.861 52 HB2 SER 427 HB2 SER 427 -31.490 -3.297 -4.524 53 HB3 SER 427 HB1 SER 427 -30.728 -4.253 -3.253 54 H GLY 428 HN GLY 428 -28.313 -0.590 -4.338 55 HA2 GLY 428 HA2 GLY 428 -26.385 -2.314 -5.399 56 HA3 GLY 428 HA1 GLY 428 -27.569 -2.012 -6.661 57 H VAL 429 HN VAL 429 -26.302 0.160 -4.157 58 HA VAL 429 HA VAL 429 -25.874 2.260 -6.043 59 HB VAL 429 HB VAL 429 -26.387 2.764 -3.701 60 HG11 VAL 429 HG11 VAL 429 -23.910 1.202 -3.206 61 HG12 VAL 429 HG12 VAL 429 -25.439 1.212 -2.326 62 HG13 VAL 429 HG13 VAL 429 -24.296 2.541 -2.125 63 HG21 VAL 429 HG21 VAL 429 -25.410 4.692 -4.219 64 HG22 VAL 429 HG22 VAL 429 -24.154 3.882 -5.154 65 HG23 VAL 429 HG23 VAL 429 -23.962 4.084 -3.413 66 HA PRO 430 HA PRO 430 -22.080 0.870 -7.822 67 HB2 PRO 430 HB2 PRO 430 -21.484 3.783 -8.006 68 HB3 PRO 430 HB1 PRO 430 -21.446 2.545 -9.267 69 HG2 PRO 430 HG2 PRO 430 -23.450 4.292 -9.143 70 HG3 PRO 430 HG1 PRO 430 -23.743 2.597 -9.571 71 HD2 PRO 430 HD2 PRO 430 -24.284 4.026 -7.009 72 HD3 PRO 430 HD1 PRO 430 -25.207 2.730 -7.799 73 H VAL 431 HN VAL 431 -21.710 3.771 -5.778 74 HA VAL 431 HA VAL 431 -19.163 2.796 -4.758 75 HB VAL 431 HB VAL 431 -20.671 5.263 -3.867 76 HG11 VAL 431 HG11 VAL 431 -17.705 4.801 -3.757 77 HG12 VAL 431 HG12 VAL 431 -18.775 4.268 -2.457 78 HG13 VAL 431 HG13 VAL 431 -18.678 5.979 -2.875 79 HG21 VAL 431 HG21 VAL 431 -18.721 4.891 -6.125 80 HG22 VAL 431 HG22 VAL 431 -19.029 6.460 -5.382 81 HG23 VAL 431 HG23 VAL 431 -20.338 5.590 -6.180 82 H THR 432 HN THR 432 -20.584 0.875 -4.072 83 HA THR 432 HA THR 432 -22.330 1.190 -1.873 84 HB THR 432 HB THR 432 -22.550 -0.709 -3.382 85 HG1 THR 432 HG1 THR 432 -23.220 -0.913 -1.137 86 HG21 THR 432 HG21 THR 432 -20.343 -1.252 -4.011 87 HG22 THR 432 HG22 THR 432 -20.924 -2.639 -3.092 88 HG23 THR 432 HG23 THR 432 -19.834 -1.476 -2.336 89 H GLN 433 HN GLN 433 -18.894 0.524 -2.139 90 HA GLN 433 HA GLN 433 -18.722 0.289 0.785 91 HB2 GLN 433 HB2 GLN 433 -16.679 -0.302 -1.358 92 HB3 GLN 433 HB1 GLN 433 -16.392 -0.455 0.370 93 HG2 GLN 433 HG2 GLN 433 -18.214 -2.129 0.474 94 HG3 GLN 433 HG1 GLN 433 -18.355 -2.030 -1.281 95 HE21 GLN 433 HE21 GLN 433 -15.190 -1.559 -0.562 96 HE22 GLN 433 HE22 GLN 433 -14.605 -3.186 -0.706 97 H THR 434 HN THR 434 -17.241 1.557 1.959 98 HA THR 434 HA THR 434 -16.917 4.241 0.926 99 HB THR 434 HB THR 434 -15.831 4.625 3.197 100 HG1 THR 434 HG1 THR 434 -15.286 2.728 4.051 101 HG21 THR 434 HG21 THR 434 -18.294 3.856 4.229 102 HG22 THR 434 HG22 THR 434 -18.608 4.138 2.515 103 HG23 THR 434 HG23 THR 434 -17.898 5.414 3.506 104 H GLN 435 HN GLN 435 -14.992 5.246 0.453 105 HA GLN 435 HA GLN 435 -12.908 3.671 -0.581 106 HB2 GLN 435 HB2 GLN 435 -11.668 5.814 -0.816 107 HB3 GLN 435 HB1 GLN 435 -13.300 5.880 -1.464 108 HG2 GLN 435 HG2 GLN 435 -14.039 7.002 0.603 109 HG3 GLN 435 HG1 GLN 435 -12.371 7.000 1.169 110 HE21 GLN 435 HE21 GLN 435 -12.213 7.357 -2.077 111 HE22 GLN 435 HE22 GLN 435 -12.161 9.083 -2.179 112 H THR 436 HN THR 436 -13.308 5.300 2.499 113 HA THR 436 HA THR 436 -10.698 4.419 3.446 114 HB THR 436 HB THR 436 -12.895 5.822 4.985 115 HG1 THR 436 HG1 THR 436 -12.217 7.635 4.112 116 HG21 THR 436 HG21 THR 436 -10.918 6.539 6.389 117 HG22 THR 436 HG22 THR 436 -9.969 5.331 5.524 118 HG23 THR 436 HG23 THR 436 -11.351 4.834 6.502 119 H ALA 437 HN ALA 437 -10.386 2.747 4.838 120 HA ALA 437 HA ALA 437 -10.743 0.803 5.946 121 HB1 ALA 437 HB1 ALA 437 -13.462 0.684 6.565 122 HB2 ALA 437 HB2 ALA 437 -13.035 2.393 6.669 123 HB3 ALA 437 HB3 ALA 437 -12.148 1.201 7.621 124 H GLY 438 HN GLY 438 -10.805 0.832 3.199 125 HA2 GLY 438 HA2 GLY 438 -13.023 -0.795 2.280 126 HA3 GLY 438 HA1 GLY 438 -11.646 -0.264 1.323 127 H ALA 439 HN ALA 439 -9.546 -1.167 2.821 128 HA ALA 439 HA ALA 439 -8.247 -2.947 3.336 129 HB1 ALA 439 HB1 ALA 439 -10.822 -3.739 4.288 130 HB2 ALA 439 HB2 ALA 439 -9.224 -4.153 4.907 131 HB3 ALA 439 HB3 ALA 439 -9.966 -5.143 3.650 132 H ASP 440 HN ASP 440 -10.754 -3.503 0.954 133 HA ASP 440 HA ASP 440 -9.779 -5.807 -0.261 134 HB2 ASP 440 HB2 ASP 440 -11.191 -3.472 -1.573 135 HB3 ASP 440 HB1 ASP 440 -10.993 -5.070 -2.285 136 H THR 441 HN THR 441 -8.258 -6.252 -1.746 137 HA THR 441 HA THR 441 -6.365 -6.056 -2.984 138 HB THR 441 HB THR 441 -6.943 -3.153 -3.516 139 HG1 THR 441 HG1 THR 441 -8.574 -3.676 -4.890 140 HG21 THR 441 HG21 THR 441 -6.033 -5.356 -5.370 141 HG22 THR 441 HG22 THR 441 -4.926 -4.329 -4.459 142 HG23 THR 441 HG23 THR 441 -5.998 -3.617 -5.666 143 H THR 442 HN THR 442 -6.242 -5.652 -0.223 144 HA THR 442 HA THR 442 -4.755 -5.105 1.392 145 HB THR 442 HB THR 442 -3.095 -3.841 -0.795 146 HG1 THR 442 HG1 THR 442 -2.965 -5.860 -1.423 147 HG21 THR 442 HG21 THR 442 -1.244 -4.054 0.685 148 HG22 THR 442 HG22 THR 442 -2.192 -4.992 1.839 149 HG23 THR 442 HG23 THR 442 -2.533 -3.277 1.605 150 H ALA 443 HN ALA 443 -4.989 -3.570 2.875 151 HA ALA 443 HA ALA 443 -6.106 -1.026 2.115 152 HB1 ALA 443 HB1 ALA 443 -6.145 -2.670 4.418 153 HB2 ALA 443 HB2 ALA 443 -7.078 -1.209 4.093 154 HB3 ALA 443 HB3 ALA 443 -5.505 -1.093 4.883 155 H GLU 444 HN GLU 444 -3.652 -1.135 1.014 156 HA GLU 444 HA GLU 444 -1.661 -0.071 0.793 157 HB2 GLU 444 HB2 GLU 444 -3.382 1.845 2.291 158 HB3 GLU 444 HB1 GLU 444 -1.684 2.245 2.078 159 HG2 GLU 444 HG2 GLU 444 -3.154 3.218 0.353 160 HG3 GLU 444 HG1 GLU 444 -1.891 2.177 -0.298 161 H LYS 445 HN LYS 445 -1.174 -2.035 2.363 162 HA LYS 445 HA LYS 445 -0.200 -1.327 4.965 163 HB2 LYS 445 HB2 LYS 445 0.330 -3.806 3.314 164 HB3 LYS 445 HB1 LYS 445 0.663 -3.618 5.031 165 HG2 LYS 445 HG2 LYS 445 -2.086 -3.417 3.832 166 HG3 LYS 445 HG1 LYS 445 -1.405 -4.903 4.494 167 HD2 LYS 445 HD2 LYS 445 -1.699 -2.337 6.049 168 HD3 LYS 445 HD1 LYS 445 -2.882 -3.647 6.068 169 HE2 LYS 445 HE2 LYS 445 0.006 -3.852 6.910 170 HE3 LYS 445 HE1 LYS 445 -1.385 -3.776 7.990 171 HZ1 LYS 445 HZ1 LYS 445 -1.487 -5.972 7.866 172 HZ2 LYS 445 HZ2 LYS 445 -0.268 -6.029 6.688 173 HZ3 LYS 445 HZ3 LYS 445 -1.890 -5.848 6.222 174 H CYS 446 HN CYS 446 1.243 -1.989 1.806 175 HA CYS 446 HA CYS 446 3.919 -1.466 2.760 176 HB2 CYS 446 HB2 CYS 446 2.830 -1.873 -0.033 177 HB3 CYS 446 HB1 CYS 446 4.533 -1.707 0.360 178 H LYS 447 HN LYS 447 1.508 0.140 0.735 179 HA LYS 447 HA LYS 447 3.018 2.373 -0.008 180 HB2 LYS 447 HB2 LYS 447 0.877 1.727 -1.045 181 HB3 LYS 447 HB1 LYS 447 0.031 2.153 0.435 182 HG2 LYS 447 HG2 LYS 447 -0.272 3.923 -1.113 183 HG3 LYS 447 HG1 LYS 447 0.842 4.495 0.130 184 HD2 LYS 447 HD2 LYS 447 2.729 4.078 -1.343 185 HD3 LYS 447 HD1 LYS 447 1.643 3.434 -2.577 186 HE2 LYS 447 HE2 LYS 447 0.533 5.609 -2.730 187 HE3 LYS 447 HE1 LYS 447 1.630 6.253 -1.509 188 HZ1 LYS 447 HZ1 LYS 447 2.562 6.907 -3.515 189 HZ2 LYS 447 HZ2 LYS 447 2.234 5.430 -4.282 190 HZ3 LYS 447 HZ3 LYS 447 3.457 5.526 -3.110 191 H GLY 448 HN GLY 448 3.967 3.797 1.324 192 HA2 GLY 448 HA2 GLY 448 3.279 5.725 2.788 193 HA3 GLY 448 HA1 GLY 448 2.518 4.507 3.800 194 H LYS 449 HN LYS 449 4.837 2.639 3.230 195 HA LYS 449 HA LYS 449 6.339 3.454 5.523 196 HB2 LYS 449 HB2 LYS 449 6.576 1.114 3.642 197 HB3 LYS 449 HB1 LYS 449 7.679 1.366 4.990 198 HG2 LYS 449 HG2 LYS 449 5.802 1.296 6.541 199 HG3 LYS 449 HG1 LYS 449 4.696 1.035 5.192 200 HD2 LYS 449 HD2 LYS 449 5.240 -1.050 6.337 201 HD3 LYS 449 HD1 LYS 449 5.808 -1.061 4.668 202 HE2 LYS 449 HE2 LYS 449 8.063 -0.649 5.372 203 HE3 LYS 449 HE1 LYS 449 7.545 -0.386 7.038 204 HZ1 LYS 449 HZ1 LYS 449 8.538 -2.650 6.414 205 HZ2 LYS 449 HZ2 LYS 449 7.035 -2.964 5.689 206 HZ3 LYS 449 HZ3 LYS 449 7.122 -2.623 7.345 207 H GLY 450 HN GLY 450 8.411 4.118 5.677 208 HA2 GLY 450 HA2 GLY 450 9.456 5.589 3.428 209 HA3 GLY 450 HA1 GLY 450 10.181 5.467 5.024 210 H GLU 451 HN GLU 451 11.622 5.360 2.580 211 HA GLU 451 HA GLU 451 12.169 2.764 1.694 212 HB2 GLU 451 HB2 GLU 451 12.866 4.788 0.499 213 HB3 GLU 451 HB1 GLU 451 14.029 5.142 1.769 214 HG2 GLU 451 HG2 GLU 451 15.218 3.062 1.235 215 HG3 GLU 451 HG1 GLU 451 14.067 2.757 -0.066 216 H LYS 452 HN LYS 452 13.476 4.589 4.395 217 HA LYS 452 HA LYS 452 15.431 2.541 5.033 218 HB2 LYS 452 HB2 LYS 452 14.638 5.050 6.525 219 HB3 LYS 452 HB1 LYS 452 15.982 3.997 6.948 220 HG2 LYS 452 HG2 LYS 452 17.087 4.511 4.860 221 HG3 LYS 452 HG1 LYS 452 15.715 5.496 4.350 222 HD2 LYS 452 HD2 LYS 452 16.106 7.027 6.198 223 HD3 LYS 452 HD1 LYS 452 17.448 6.026 6.762 224 HE2 LYS 452 HE2 LYS 452 18.625 6.437 4.651 225 HE3 LYS 452 HE1 LYS 452 17.292 7.451 4.106 226 HZ1 LYS 452 HZ1 LYS 452 17.768 9.056 5.727 227 HZ2 LYS 452 HZ2 LYS 452 19.280 8.626 5.082 228 HZ3 LYS 452 HZ3 LYS 452 18.800 8.021 6.591 229 H ASP 453 HN ASP 453 12.786 1.656 4.943 230 HA ASP 453 HA ASP 453 12.632 0.322 7.466 231 HB2 ASP 453 HB2 ASP 453 11.472 2.371 8.109 232 HB3 ASP 453 HB1 ASP 453 10.409 2.233 6.713 233 H CYS 454 HN CYS 454 10.763 1.238 4.592 234 HA CYS 454 HA CYS 454 9.426 -1.259 4.340 235 HB2 CYS 454 HB2 CYS 454 8.945 1.120 3.259 236 HB3 CYS 454 HB1 CYS 454 9.911 0.459 1.941 237 H LYS 455 HN LYS 455 10.181 -3.121 3.541 238 HA LYS 455 HA LYS 455 12.905 -3.158 2.485 239 HB2 LYS 455 HB2 LYS 455 11.127 -5.504 3.146 240 HB3 LYS 455 HB1 LYS 455 12.861 -5.535 2.875 241 HG2 LYS 455 HG2 LYS 455 11.425 -4.272 5.198 242 HG3 LYS 455 HG1 LYS 455 12.398 -5.740 5.225 243 HD2 LYS 455 HD2 LYS 455 14.354 -4.356 4.507 244 HD3 LYS 455 HD1 LYS 455 13.347 -2.923 4.726 245 HE2 LYS 455 HE2 LYS 455 14.172 -4.918 6.827 246 HE3 LYS 455 HE1 LYS 455 14.665 -3.231 6.704 247 HZ1 LYS 455 HZ1 LYS 455 12.018 -4.321 7.442 248 HZ2 LYS 455 HZ2 LYS 455 12.208 -2.709 6.953 249 HZ3 LYS 455 HZ3 LYS 455 13.013 -3.280 8.333 250 H SER 456 HN SER 456 13.394 -3.679 0.414 251 HA SER 456 HA SER 456 11.443 -3.419 -1.570 252 HG SER 456 HG SER 456 12.865 -4.878 -3.732 253 HB2 SER 456 HB2 SER 456 13.861 -2.944 -1.896 254 HB3 SER 456 HB1 SER 456 14.177 -4.677 -1.878 255 HA PRO 457 HA PRO 457 11.608 -8.247 -2.219 256 HB2 PRO 457 HB2 PRO 457 12.310 -9.174 0.502 257 HB3 PRO 457 HB1 PRO 457 12.867 -9.771 -1.064 258 HG2 PRO 457 HG2 PRO 457 14.487 -8.368 0.529 259 HG3 PRO 457 HG1 PRO 457 14.530 -8.170 -1.236 260 HD2 PRO 457 HD2 PRO 457 13.249 -6.423 0.839 261 HD3 PRO 457 HD1 PRO 457 14.187 -5.961 -0.597 262 H ASP 458 HN ASP 458 10.787 -6.725 0.816 263 HA ASP 458 HA ASP 458 8.503 -8.404 1.325 264 HB2 ASP 458 HB2 ASP 458 9.853 -7.399 3.145 265 HB3 ASP 458 HB1 ASP 458 9.319 -5.802 2.633 266 H CYS 459 HN CYS 459 9.071 -5.110 0.159 267 HA CYS 459 HA CYS 459 6.417 -5.105 -1.063 268 HB2 CYS 459 HB2 CYS 459 7.423 -2.888 0.745 269 HB3 CYS 459 HB1 CYS 459 6.001 -2.777 -0.287 270 H LYS 460 HN LYS 460 6.458 -4.155 -3.051 271 HA LYS 460 HA LYS 460 8.977 -3.681 -4.221 272 HB2 LYS 460 HB2 LYS 460 7.153 -4.548 -5.544 273 HB3 LYS 460 HB1 LYS 460 6.187 -3.114 -5.230 274 HG2 LYS 460 HG2 LYS 460 7.124 -3.108 -7.485 275 HG3 LYS 460 HG1 LYS 460 7.730 -1.758 -6.523 276 HD2 LYS 460 HD2 LYS 460 9.782 -3.058 -6.065 277 HD3 LYS 460 HD1 LYS 460 9.181 -4.338 -7.122 278 HE2 LYS 460 HE2 LYS 460 9.180 -2.810 -9.008 279 HE3 LYS 460 HE1 LYS 460 9.675 -1.481 -7.959 280 HZ1 LYS 460 HZ1 LYS 460 11.259 -3.600 -9.125 281 HZ2 LYS 460 HZ2 LYS 460 11.593 -3.299 -7.489 282 HZ3 LYS 460 HZ3 LYS 460 11.719 -2.046 -8.623 283 H TRP 461 HN TRP 461 10.208 -1.976 -3.994 284 HA TRP 461 HA TRP 461 9.079 0.639 -3.377 285 HD1 TRP 461 HD1 TRP 461 12.983 2.368 -4.247 286 HE1 TRP 461 HE1 TRP 461 12.803 4.627 -3.015 287 HE3 TRP 461 HE3 TRP 461 9.411 1.130 -0.817 288 HZ2 TRP 461 HZ2 TRP 461 11.331 5.714 -0.856 289 HZ3 TRP 461 HZ3 TRP 461 8.680 2.824 0.795 290 HH2 TRP 461 HH2 TRP 461 9.621 5.073 0.778 291 HB2 TRP 461 HB2 TRP 461 11.257 -0.284 -2.342 292 HB3 TRP 461 HB1 TRP 461 11.987 0.015 -3.916 293 H GLU 462 HN GLU 462 8.439 1.903 -5.016 294 HA GLU 462 HA GLU 462 9.953 1.966 -7.498 295 HB2 GLU 462 HB2 GLU 462 8.431 0.086 -7.843 296 HB3 GLU 462 HB1 GLU 462 7.059 1.088 -7.396 297 HG2 GLU 462 HG2 GLU 462 7.147 0.835 -9.782 298 HG3 GLU 462 HG1 GLU 462 7.477 2.510 -9.345 299 H GLY 463 HN GLY 463 10.052 3.974 -8.213 300 HA2 GLY 463 HA2 GLY 463 9.518 6.179 -8.596 301 HA3 GLY 463 HA1 GLY 463 7.849 5.784 -8.209 302 H GLY 464 HN GLY 464 10.559 5.215 -6.060 303 HA2 GLY 464 HA2 GLY 464 11.101 6.098 -4.012 304 HA3 GLY 464 HA1 GLY 464 10.404 7.610 -4.575 305 H THR 465 HN THR 465 8.764 4.515 -4.199 306 HA THR 465 HA THR 465 7.545 5.163 -1.713 307 HB THR 465 HB THR 465 6.252 6.710 -3.110 308 HG1 THR 465 HG1 THR 465 4.856 6.082 -1.630 309 HG21 THR 465 HG21 THR 465 6.064 4.363 -4.869 310 HG22 THR 465 HG22 THR 465 6.004 6.082 -5.258 311 HG23 THR 465 HG23 THR 465 4.560 5.263 -4.664 312 H CYS 466 HN CYS 466 6.443 3.416 -0.848 313 HA CYS 466 HA CYS 466 7.144 0.917 -2.106 314 HB2 CYS 466 HB2 CYS 466 6.914 1.834 0.530 315 HB3 CYS 466 HB1 CYS 466 5.648 0.623 0.345 316 H LYS 467 HN LYS 467 5.803 -0.547 -2.990 317 HA LYS 467 HA LYS 467 2.902 -0.046 -2.834 318 HB2 LYS 467 HB2 LYS 467 4.388 -0.940 -5.312 319 HB3 LYS 467 HB1 LYS 467 2.677 -0.561 -5.187 320 HG2 LYS 467 HG2 LYS 467 3.221 1.778 -4.737 321 HG3 LYS 467 HG1 LYS 467 4.940 1.395 -4.851 322 HD2 LYS 467 HD2 LYS 467 4.595 0.656 -7.179 323 HD3 LYS 467 HD1 LYS 467 2.897 1.123 -7.053 324 HE2 LYS 467 HE2 LYS 467 3.589 3.443 -6.603 325 HE3 LYS 467 HE1 LYS 467 5.276 2.959 -6.783 326 HZ1 LYS 467 HZ1 LYS 467 3.238 3.383 -8.814 327 HZ2 LYS 467 HZ2 LYS 467 4.272 2.065 -9.072 328 HZ3 LYS 467 HZ3 LYS 467 4.917 3.624 -8.893 329 H ASP 468 HN ASP 468 1.629 -1.862 -2.655 330 HA ASP 468 HA ASP 468 2.941 -4.290 -1.862 331 HB2 ASP 468 HB2 ASP 468 0.790 -3.523 -0.847 332 HB3 ASP 468 HB1 ASP 468 -0.008 -3.841 -2.386 Start of MODEL 21 1 H1 GLY 421 HT1 GLY 421 -43.997 7.216 -14.681 2 H2 GLY 421 HT2 GLY 421 -42.377 6.849 -15.030 3 H3 GLY 421 HT3 GLY 421 -42.913 6.866 -13.426 4 HA2 GLY 421 HA1 GLY 421 -44.149 5.030 -15.372 5 HA3 GLY 421 HA2 GLY 421 -42.625 4.609 -14.603 6 H THR 422 HN THR 422 -45.586 3.739 -14.430 7 HA THR 422 HA THR 422 -47.166 3.185 -12.925 8 HB THR 422 HB THR 422 -45.632 1.381 -12.523 9 HG1 THR 422 HG1 THR 422 -47.500 1.930 -10.976 10 HG21 THR 422 HG21 THR 422 -44.285 1.905 -10.161 11 HG22 THR 422 HG22 THR 422 -44.042 3.360 -11.127 12 HG23 THR 422 HG23 THR 422 -43.579 1.784 -11.772 13 H LYS 423 HN LYS 423 -46.058 3.425 -9.865 14 HA LYS 423 HA LYS 423 -47.670 5.653 -9.255 15 HB2 LYS 423 HB2 LYS 423 -45.536 4.259 -7.632 16 HB3 LYS 423 HB1 LYS 423 -46.598 5.504 -6.990 17 HG2 LYS 423 HG2 LYS 423 -48.541 4.110 -7.471 18 HG3 LYS 423 HG1 LYS 423 -47.484 2.865 -8.134 19 HD2 LYS 423 HD2 LYS 423 -47.345 3.874 -5.298 20 HD3 LYS 423 HD1 LYS 423 -48.228 2.431 -5.795 21 HE2 LYS 423 HE2 LYS 423 -46.137 1.454 -6.639 22 HE3 LYS 423 HE1 LYS 423 -45.265 2.896 -6.122 23 HZ1 LYS 423 HZ1 LYS 423 -44.968 1.273 -4.454 24 HZ2 LYS 423 HZ2 LYS 423 -46.621 0.893 -4.411 25 HZ3 LYS 423 HZ3 LYS 423 -46.078 2.392 -3.825 26 H ALA 424 HN ALA 424 -47.268 7.748 -9.128 27 HA ALA 424 HA ALA 424 -46.235 9.772 -9.216 28 HB1 ALA 424 HB1 ALA 424 -43.725 9.912 -8.993 29 HB2 ALA 424 HB2 ALA 424 -43.735 8.166 -8.752 30 HB3 ALA 424 HB3 ALA 424 -44.585 9.217 -7.618 31 H SER 425 HN SER 425 -45.774 11.050 -10.908 32 HA SER 425 HA SER 425 -45.858 9.904 -13.466 33 HG SER 425 HG SER 425 -45.063 12.752 -14.946 34 HB2 SER 425 HB2 SER 425 -46.690 12.196 -12.793 35 HB3 SER 425 HB1 SER 425 -45.013 12.736 -12.836 36 H LYS 426 HN LYS 426 -43.184 11.382 -11.662 37 HA LYS 426 HA LYS 426 -41.329 9.795 -13.211 38 HB2 LYS 426 HB2 LYS 426 -39.960 11.527 -14.042 39 HB3 LYS 426 HB1 LYS 426 -41.598 11.993 -14.465 40 HG2 LYS 426 HG2 LYS 426 -40.133 13.063 -12.064 41 HG3 LYS 426 HG1 LYS 426 -40.116 13.839 -13.647 42 HD2 LYS 426 HD2 LYS 426 -42.591 13.997 -13.539 43 HD3 LYS 426 HD1 LYS 426 -42.526 13.334 -11.904 44 HE2 LYS 426 HE2 LYS 426 -41.261 15.907 -12.845 45 HE3 LYS 426 HE1 LYS 426 -42.699 15.760 -11.836 46 HZ1 LYS 426 HZ1 LYS 426 -41.303 14.660 -10.146 47 HZ2 LYS 426 HZ2 LYS 426 -40.806 16.250 -10.469 48 HZ3 LYS 426 HZ3 LYS 426 -39.931 14.946 -11.107 49 H SER 427 HN SER 427 -39.592 9.192 -12.049 50 HA SER 427 HA SER 427 -38.819 10.576 -9.636 51 HG SER 427 HG SER 427 -41.165 7.317 -9.125 52 HB2 SER 427 HB2 SER 427 -39.246 8.464 -8.251 53 HB3 SER 427 HB1 SER 427 -40.660 9.425 -8.679 54 H GLY 428 HN GLY 428 -37.420 10.003 -11.973 55 HA2 GLY 428 HA2 GLY 428 -35.804 7.651 -11.675 56 HA3 GLY 428 HA1 GLY 428 -35.484 9.008 -12.747 57 H VAL 429 HN VAL 429 -33.933 7.366 -10.631 58 HA VAL 429 HA VAL 429 -32.611 9.713 -9.459 59 HB VAL 429 HB VAL 429 -34.007 8.867 -7.679 60 HG11 VAL 429 HG11 VAL 429 -34.299 6.582 -8.619 61 HG12 VAL 429 HG12 VAL 429 -33.974 6.608 -6.886 62 HG13 VAL 429 HG13 VAL 429 -32.690 6.177 -8.015 63 HG21 VAL 429 HG21 VAL 429 -31.216 9.062 -7.511 64 HG22 VAL 429 HG22 VAL 429 -31.664 7.657 -6.545 65 HG23 VAL 429 HG23 VAL 429 -32.388 9.229 -6.204 66 HA PRO 430 HA PRO 430 -29.133 7.913 -11.419 67 HB2 PRO 430 HB2 PRO 430 -27.583 9.259 -9.266 68 HB3 PRO 430 HB1 PRO 430 -27.407 9.371 -11.020 69 HG2 PRO 430 HG2 PRO 430 -28.532 11.352 -9.641 70 HG3 PRO 430 HG1 PRO 430 -29.153 10.879 -11.234 71 HD2 PRO 430 HD2 PRO 430 -30.263 10.315 -8.522 72 HD3 PRO 430 HD1 PRO 430 -31.110 10.663 -10.043 73 H VAL 431 HN VAL 431 -28.671 8.011 -7.878 74 HA VAL 431 HA VAL 431 -27.868 6.497 -6.388 75 HB VAL 431 HB VAL 431 -28.765 4.312 -8.277 76 HG11 VAL 431 HG11 VAL 431 -28.063 4.461 -5.386 77 HG12 VAL 431 HG12 VAL 431 -27.693 3.213 -6.576 78 HG13 VAL 431 HG13 VAL 431 -29.314 3.325 -5.891 79 HG21 VAL 431 HG21 VAL 431 -30.424 6.297 -7.440 80 HG22 VAL 431 HG22 VAL 431 -30.620 5.109 -6.152 81 HG23 VAL 431 HG23 VAL 431 -30.938 4.654 -7.826 82 H THR 432 HN THR 432 -26.075 7.601 -8.126 83 HA THR 432 HA THR 432 -24.389 5.499 -9.188 84 HB THR 432 HB THR 432 -22.984 7.615 -9.821 85 HG1 THR 432 HG1 THR 432 -23.935 9.486 -9.484 86 HG21 THR 432 HG21 THR 432 -24.346 6.134 -11.340 87 HG22 THR 432 HG22 THR 432 -24.200 7.812 -11.864 88 HG23 THR 432 HG23 THR 432 -25.690 7.250 -11.104 89 H GLN 433 HN GLN 433 -24.514 5.306 -6.465 90 HA GLN 433 HA GLN 433 -22.148 6.577 -5.347 91 HB2 GLN 433 HB2 GLN 433 -22.776 5.384 -3.260 92 HB3 GLN 433 HB1 GLN 433 -24.054 6.425 -3.870 93 HG2 GLN 433 HG2 GLN 433 -25.235 4.508 -4.757 94 HG3 GLN 433 HG1 GLN 433 -23.920 3.441 -4.264 95 HE21 GLN 433 HE21 GLN 433 -24.368 2.333 -2.538 96 HE22 GLN 433 HE22 GLN 433 -25.348 2.845 -1.206 97 H THR 434 HN THR 434 -20.208 5.651 -5.222 98 HA THR 434 HA THR 434 -19.858 2.818 -5.092 99 HB THR 434 HB THR 434 -20.283 2.895 -7.466 100 HG1 THR 434 HG1 THR 434 -18.411 1.656 -6.590 101 HG21 THR 434 HG21 THR 434 -18.062 4.925 -7.699 102 HG22 THR 434 HG22 THR 434 -19.782 5.297 -7.812 103 HG23 THR 434 HG23 THR 434 -19.025 4.256 -9.019 104 H GLN 435 HN GLN 435 -18.152 2.491 -3.873 105 HA GLN 435 HA GLN 435 -15.739 4.080 -4.174 106 HB2 GLN 435 HB2 GLN 435 -17.199 3.874 -1.528 107 HB3 GLN 435 HB1 GLN 435 -15.570 4.497 -1.732 108 HG2 GLN 435 HG2 GLN 435 -16.489 6.288 -3.175 109 HG3 GLN 435 HG1 GLN 435 -18.108 5.695 -2.814 110 HE21 GLN 435 HE21 GLN 435 -16.019 5.296 -0.221 111 HE22 GLN 435 HE22 GLN 435 -16.466 6.700 0.691 112 H THR 436 HN THR 436 -13.972 2.843 -3.857 113 HA THR 436 HA THR 436 -14.295 0.043 -3.425 114 HB THR 436 HB THR 436 -11.647 1.476 -3.281 115 HG1 THR 436 HG1 THR 436 -12.704 2.327 -5.114 116 HG21 THR 436 HG21 THR 436 -11.473 -0.867 -2.910 117 HG22 THR 436 HG22 THR 436 -10.986 -0.598 -4.583 118 HG23 THR 436 HG23 THR 436 -12.592 -1.228 -4.224 119 H ALA 437 HN ALA 437 -14.504 -0.928 -1.524 120 HA ALA 437 HA ALA 437 -14.434 0.471 0.889 121 HB1 ALA 437 HB1 ALA 437 -15.431 -1.337 1.727 122 HB2 ALA 437 HB2 ALA 437 -14.149 -2.419 1.180 123 HB3 ALA 437 HB3 ALA 437 -15.429 -1.933 0.067 124 H GLY 438 HN GLY 438 -12.172 -2.027 -0.291 125 HA2 GLY 438 HA2 GLY 438 -9.931 -0.698 0.895 126 HA3 GLY 438 HA1 GLY 438 -10.440 -2.082 1.850 127 H ALA 439 HN ALA 439 -9.962 -1.335 -1.600 128 HA ALA 439 HA ALA 439 -7.948 -3.367 -1.873 129 HB1 ALA 439 HB1 ALA 439 -9.920 -4.798 -1.832 130 HB2 ALA 439 HB2 ALA 439 -9.186 -4.798 -3.436 131 HB3 ALA 439 HB3 ALA 439 -10.647 -3.858 -3.134 132 H ASP 440 HN ASP 440 -8.136 -0.585 -2.392 133 HA ASP 440 HA ASP 440 -8.365 -0.253 -5.259 134 HB2 ASP 440 HB2 ASP 440 -7.679 2.082 -4.810 135 HB3 ASP 440 HB1 ASP 440 -9.066 1.591 -3.846 136 H THR 441 HN THR 441 -6.832 -0.923 -6.554 137 HA THR 441 HA THR 441 -4.801 -1.355 -7.487 138 HB THR 441 HB THR 441 -3.607 0.263 -5.223 139 HG1 THR 441 HG1 THR 441 -5.118 1.204 -7.001 140 HG21 THR 441 HG21 THR 441 -1.760 -0.838 -6.000 141 HG22 THR 441 HG22 THR 441 -1.808 0.488 -7.162 142 HG23 THR 441 HG23 THR 441 -2.451 -1.094 -7.603 143 H THR 442 HN THR 442 -4.433 -1.440 -3.952 144 HA THR 442 HA THR 442 -4.225 -4.238 -3.751 145 HB THR 442 HB THR 442 -2.052 -3.949 -4.859 146 HG1 THR 442 HG1 THR 442 -1.461 -4.363 -2.117 147 HG21 THR 442 HG21 THR 442 -0.319 -2.718 -3.222 148 HG22 THR 442 HG22 THR 442 -1.764 -1.775 -2.863 149 HG23 THR 442 HG23 THR 442 -1.171 -1.876 -4.520 150 H ALA 443 HN ALA 443 -3.901 -4.881 -1.515 151 HA ALA 443 HA ALA 443 -4.930 -3.061 0.378 152 HB1 ALA 443 HB1 ALA 443 -4.530 -5.772 0.313 153 HB2 ALA 443 HB2 ALA 443 -5.037 -4.851 1.729 154 HB3 ALA 443 HB3 ALA 443 -3.333 -5.238 1.496 155 H GLU 444 HN GLU 444 -3.907 -1.371 1.253 156 HA GLU 444 HA GLU 444 -1.112 -1.020 0.923 157 HB2 GLU 444 HB2 GLU 444 -2.501 0.909 0.809 158 HB3 GLU 444 HB1 GLU 444 -3.207 0.575 2.384 159 HG2 GLU 444 HG2 GLU 444 -1.002 0.982 3.410 160 HG3 GLU 444 HG1 GLU 444 -0.376 1.415 1.820 161 H LYS 445 HN LYS 445 0.346 -1.949 2.076 162 HA LYS 445 HA LYS 445 0.105 -1.975 5.001 163 HB2 LYS 445 HB2 LYS 445 -0.440 -4.239 4.356 164 HB3 LYS 445 HB1 LYS 445 0.908 -4.296 3.229 165 HG2 LYS 445 HG2 LYS 445 2.448 -4.087 5.173 166 HG3 LYS 445 HG1 LYS 445 1.047 -4.243 6.232 167 HD2 LYS 445 HD2 LYS 445 2.042 -6.399 6.045 168 HD3 LYS 445 HD1 LYS 445 0.553 -6.427 5.103 169 HE2 LYS 445 HE2 LYS 445 3.205 -5.829 3.834 170 HE3 LYS 445 HE1 LYS 445 2.663 -7.485 4.082 171 HZ1 LYS 445 HZ1 LYS 445 0.533 -6.550 2.877 172 HZ2 LYS 445 HZ2 LYS 445 1.869 -7.116 2.003 173 HZ3 LYS 445 HZ3 LYS 445 1.654 -5.447 2.233 174 H CYS 446 HN CYS 446 2.093 -2.411 2.142 175 HA CYS 446 HA CYS 446 4.510 -1.540 3.512 176 HB2 CYS 446 HB2 CYS 446 4.076 -2.182 0.588 177 HB3 CYS 446 HB1 CYS 446 5.623 -2.006 1.409 178 H LYS 447 HN LYS 447 2.058 -0.335 1.323 179 HA LYS 447 HA LYS 447 3.470 1.825 0.254 180 HB2 LYS 447 HB2 LYS 447 1.313 0.975 -0.624 181 HB3 LYS 447 HB1 LYS 447 0.498 1.659 0.776 182 HG2 LYS 447 HG2 LYS 447 1.249 3.900 0.088 183 HG3 LYS 447 HG1 LYS 447 1.979 3.191 -1.353 184 HD2 LYS 447 HD2 LYS 447 -0.265 2.333 -1.993 185 HD3 LYS 447 HD1 LYS 447 -0.941 3.200 -0.613 186 HE2 LYS 447 HE2 LYS 447 0.522 4.423 -2.947 187 HE3 LYS 447 HE1 LYS 447 -1.215 4.490 -2.657 188 HZ1 LYS 447 HZ1 LYS 447 -0.367 6.528 -1.907 189 HZ2 LYS 447 HZ2 LYS 447 0.953 5.811 -1.124 190 HZ3 LYS 447 HZ3 LYS 447 -0.612 5.630 -0.489 191 H GLY 448 HN GLY 448 3.961 3.820 0.929 192 HA2 GLY 448 HA2 GLY 448 3.969 5.743 2.188 193 HA3 GLY 448 HA1 GLY 448 2.501 5.180 2.968 194 H LYS 449 HN LYS 449 5.870 4.024 2.867 195 HA LYS 449 HA LYS 449 5.851 4.118 5.817 196 HB2 LYS 449 HB2 LYS 449 7.211 2.088 4.040 197 HB3 LYS 449 HB1 LYS 449 7.436 2.205 5.777 198 HG2 LYS 449 HG2 LYS 449 4.989 1.800 6.039 199 HG3 LYS 449 HG1 LYS 449 4.927 1.480 4.305 200 HD2 LYS 449 HD2 LYS 449 5.116 -0.601 5.547 201 HD3 LYS 449 HD1 LYS 449 6.569 -0.322 4.585 202 HE2 LYS 449 HE2 LYS 449 7.712 0.540 6.569 203 HE3 LYS 449 HE1 LYS 449 6.263 0.252 7.529 204 HZ1 LYS 449 HZ1 LYS 449 8.271 -1.612 6.614 205 HZ2 LYS 449 HZ2 LYS 449 6.676 -2.155 6.425 206 HZ3 LYS 449 HZ3 LYS 449 7.239 -1.698 7.956 207 H GLY 450 HN GLY 450 7.968 4.045 2.989 208 HA2 GLY 450 HA2 GLY 450 9.609 5.989 2.899 209 HA3 GLY 450 HA1 GLY 450 9.997 5.499 4.546 210 H GLU 451 HN GLU 451 11.830 5.534 2.333 211 HA GLU 451 HA GLU 451 12.019 3.077 1.044 212 HB2 GLU 451 HB2 GLU 451 13.179 5.043 0.238 213 HB3 GLU 451 HB1 GLU 451 14.211 5.064 1.661 214 HG2 GLU 451 HG2 GLU 451 14.218 2.616 -0.006 215 HG3 GLU 451 HG1 GLU 451 14.980 4.060 -0.671 216 H LYS 452 HN LYS 452 13.521 4.111 4.081 217 HA LYS 452 HA LYS 452 14.961 1.676 4.446 218 HB2 LYS 452 HB2 LYS 452 15.460 2.502 6.661 219 HB3 LYS 452 HB1 LYS 452 15.598 3.826 5.513 220 HG2 LYS 452 HG2 LYS 452 13.260 4.488 6.171 221 HG3 LYS 452 HG1 LYS 452 13.391 3.315 7.483 222 HD2 LYS 452 HD2 LYS 452 15.526 4.557 8.140 223 HD3 LYS 452 HD1 LYS 452 14.976 5.831 7.047 224 HE2 LYS 452 HE2 LYS 452 13.687 4.825 9.564 225 HE3 LYS 452 HE1 LYS 452 14.179 6.470 9.159 226 HZ1 LYS 452 HZ1 LYS 452 12.427 6.227 7.295 227 HZ2 LYS 452 HZ2 LYS 452 11.903 6.532 8.881 228 HZ3 LYS 452 HZ3 LYS 452 11.817 4.959 8.245 229 H ASP 453 HN ASP 453 11.788 2.831 5.390 230 HA ASP 453 HA ASP 453 11.220 0.665 7.162 231 HB2 ASP 453 HB2 ASP 453 9.558 2.846 5.932 232 HB3 ASP 453 HB1 ASP 453 8.809 1.549 6.856 233 H CYS 454 HN CYS 454 10.454 1.391 3.805 234 HA CYS 454 HA CYS 454 8.705 -0.725 3.266 235 HB2 CYS 454 HB2 CYS 454 9.119 1.212 1.738 236 HB3 CYS 454 HB1 CYS 454 10.718 0.565 1.407 237 H LYS 455 HN LYS 455 9.069 -2.847 3.409 238 HA LYS 455 HA LYS 455 11.727 -3.918 3.564 239 HB2 LYS 455 HB2 LYS 455 9.095 -5.384 3.270 240 HB3 LYS 455 HB1 LYS 455 10.627 -6.091 3.758 241 HG2 LYS 455 HG2 LYS 455 9.048 -4.039 5.297 242 HG3 LYS 455 HG1 LYS 455 9.182 -5.758 5.672 243 HD2 LYS 455 HD2 LYS 455 11.489 -3.816 5.610 244 HD3 LYS 455 HD1 LYS 455 10.649 -4.341 7.071 245 HE2 LYS 455 HE2 LYS 455 12.120 -6.148 5.154 246 HE3 LYS 455 HE1 LYS 455 12.747 -5.568 6.696 247 HZ1 LYS 455 HZ1 LYS 455 11.345 -6.913 7.880 248 HZ2 LYS 455 HZ2 LYS 455 11.610 -7.887 6.521 249 HZ3 LYS 455 HZ3 LYS 455 10.175 -6.997 6.654 250 H SER 456 HN SER 456 12.975 -4.470 1.885 251 HA SER 456 HA SER 456 12.025 -4.023 -0.726 252 HG SER 456 HG SER 456 14.116 -2.601 -0.625 253 HB2 SER 456 HB2 SER 456 14.631 -5.278 0.157 254 HB3 SER 456 HB1 SER 456 14.289 -4.655 -1.459 255 HA PRO 457 HA PRO 457 12.493 -8.779 -1.520 256 HB2 PRO 457 HB2 PRO 457 12.122 -10.369 0.688 257 HB3 PRO 457 HB1 PRO 457 13.705 -9.928 0.041 258 HG2 PRO 457 HG2 PRO 457 12.192 -8.743 2.332 259 HG3 PRO 457 HG1 PRO 457 13.924 -9.107 2.200 260 HD2 PRO 457 HD2 PRO 457 12.972 -6.608 1.915 261 HD3 PRO 457 HD1 PRO 457 14.358 -7.196 0.972 262 H ASP 458 HN ASP 458 10.443 -7.473 0.978 263 HA ASP 458 HA ASP 458 8.243 -9.205 0.260 264 HB2 ASP 458 HB2 ASP 458 8.663 -7.216 2.484 265 HB3 ASP 458 HB1 ASP 458 7.167 -8.098 2.243 266 H CYS 459 HN CYS 459 9.129 -5.788 0.033 267 HA CYS 459 HA CYS 459 6.534 -5.285 -1.291 268 HB2 CYS 459 HB2 CYS 459 7.999 -3.268 0.400 269 HB3 CYS 459 HB1 CYS 459 6.331 -3.216 -0.155 270 H LYS 460 HN LYS 460 6.520 -3.697 -2.925 271 HA LYS 460 HA LYS 460 9.049 -3.490 -4.326 272 HB2 LYS 460 HB2 LYS 460 6.316 -2.514 -5.164 273 HB3 LYS 460 HB1 LYS 460 7.731 -2.669 -6.194 274 HG2 LYS 460 HG2 LYS 460 7.692 -5.115 -5.793 275 HG3 LYS 460 HG1 LYS 460 6.188 -4.902 -4.895 276 HD2 LYS 460 HD2 LYS 460 5.207 -3.855 -6.935 277 HD3 LYS 460 HD1 LYS 460 6.677 -4.291 -7.806 278 HE2 LYS 460 HE2 LYS 460 4.790 -6.208 -6.445 279 HE3 LYS 460 HE1 LYS 460 4.905 -5.931 -8.182 280 HZ1 LYS 460 HZ1 LYS 460 6.211 -7.767 -7.947 281 HZ2 LYS 460 HZ2 LYS 460 6.748 -7.349 -6.394 282 HZ3 LYS 460 HZ3 LYS 460 7.389 -6.566 -7.751 283 H TRP 461 HN TRP 461 10.160 -1.666 -4.746 284 HA TRP 461 HA TRP 461 9.134 0.858 -3.614 285 HD1 TRP 461 HD1 TRP 461 13.091 2.519 -4.547 286 HE1 TRP 461 HE1 TRP 461 12.986 4.813 -3.381 287 HE3 TRP 461 HE3 TRP 461 9.489 1.483 -1.086 288 HZ2 TRP 461 HZ2 TRP 461 11.546 6.003 -1.245 289 HZ3 TRP 461 HZ3 TRP 461 8.812 3.243 0.478 290 HH2 TRP 461 HH2 TRP 461 9.821 5.460 0.399 291 HB2 TRP 461 HB2 TRP 461 11.271 -0.014 -2.558 292 HB3 TRP 461 HB1 TRP 461 12.050 0.201 -4.125 293 H GLU 462 HN GLU 462 8.582 2.313 -5.123 294 HA GLU 462 HA GLU 462 10.053 2.527 -7.611 295 HB2 GLU 462 HB2 GLU 462 8.539 0.675 -8.093 296 HB3 GLU 462 HB1 GLU 462 7.168 1.634 -7.560 297 HG2 GLU 462 HG2 GLU 462 7.736 3.252 -9.412 298 HG3 GLU 462 HG1 GLU 462 8.857 2.027 -10.009 299 H GLY 463 HN GLY 463 9.968 4.551 -8.394 300 HA2 GLY 463 HA2 GLY 463 9.374 6.752 -8.649 301 HA3 GLY 463 HA1 GLY 463 7.742 6.292 -8.185 302 H GLY 464 HN GLY 464 10.550 5.767 -6.169 303 HA2 GLY 464 HA2 GLY 464 11.152 6.640 -4.135 304 HA3 GLY 464 HA1 GLY 464 10.378 8.137 -4.643 305 H THR 465 HN THR 465 8.823 4.990 -4.294 306 HA THR 465 HA THR 465 7.749 5.538 -1.724 307 HB THR 465 HB THR 465 6.372 7.101 -3.075 308 HG1 THR 465 HG1 THR 465 4.335 5.511 -2.426 309 HG21 THR 465 HG21 THR 465 5.987 4.688 -4.695 310 HG22 THR 465 HG22 THR 465 5.828 6.389 -5.134 311 HG23 THR 465 HG23 THR 465 4.496 5.558 -4.328 312 H CYS 466 HN CYS 466 6.660 3.811 -0.850 313 HA CYS 466 HA CYS 466 7.323 1.283 -2.084 314 HB2 CYS 466 HB2 CYS 466 7.746 1.907 0.343 315 HB3 CYS 466 HB1 CYS 466 6.011 1.782 0.597 316 H LYS 467 HN LYS 467 5.845 -0.381 -2.534 317 HA LYS 467 HA LYS 467 3.012 0.160 -2.200 318 HB2 LYS 467 HB2 LYS 467 2.450 -0.272 -4.538 319 HB3 LYS 467 HB1 LYS 467 3.475 1.146 -4.391 320 HG2 LYS 467 HG2 LYS 467 4.813 -1.441 -4.918 321 HG3 LYS 467 HG1 LYS 467 3.872 -0.729 -6.229 322 HD2 LYS 467 HD2 LYS 467 6.059 0.683 -4.701 323 HD3 LYS 467 HD1 LYS 467 6.257 -0.080 -6.281 324 HE2 LYS 467 HE2 LYS 467 4.376 2.188 -5.639 325 HE3 LYS 467 HE1 LYS 467 5.921 2.337 -6.474 326 HZ1 LYS 467 HZ1 LYS 467 3.638 0.713 -7.462 327 HZ2 LYS 467 HZ2 LYS 467 5.084 1.040 -8.288 328 HZ3 LYS 467 HZ3 LYS 467 3.981 2.291 -7.976 329 H ASP 468 HN ASP 468 1.778 -1.644 -2.090 330 HA ASP 468 HA ASP 468 3.173 -4.086 -1.544 331 HB2 ASP 468 HB2 ASP 468 0.225 -3.413 -1.519 332 HB3 ASP 468 HB1 ASP 468 0.890 -4.966 -1.024 Start of MODEL 22 1 H1 GLY 421 HT1 GLY 421 -34.930 7.477 -6.425 2 H2 GLY 421 HT2 GLY 421 -33.796 8.326 -5.494 3 H3 GLY 421 HT3 GLY 421 -34.612 7.001 -4.829 4 HA2 GLY 421 HA1 GLY 421 -33.471 5.459 -6.154 5 HA3 GLY 421 HA2 GLY 421 -32.869 6.735 -7.203 6 H THR 422 HN THR 422 -31.726 4.587 -5.239 7 HA THR 422 HA THR 422 -30.288 6.075 -3.287 8 HB THR 422 HB THR 422 -29.558 3.349 -4.364 9 HG1 THR 422 HG1 THR 422 -31.758 3.365 -3.723 10 HG21 THR 422 HG21 THR 422 -28.140 4.825 -2.649 11 HG22 THR 422 HG22 THR 422 -28.273 3.071 -2.500 12 HG23 THR 422 HG23 THR 422 -29.290 4.119 -1.511 13 H LYS 423 HN LYS 423 -28.605 7.361 -3.627 14 HA LYS 423 HA LYS 423 -27.109 7.237 -6.105 15 HB2 LYS 423 HB2 LYS 423 -26.881 9.033 -3.689 16 HB3 LYS 423 HB1 LYS 423 -25.825 9.148 -5.090 17 HG2 LYS 423 HG2 LYS 423 -27.824 9.553 -6.500 18 HG3 LYS 423 HG1 LYS 423 -28.803 9.576 -5.033 19 HD2 LYS 423 HD2 LYS 423 -28.254 11.839 -5.728 20 HD3 LYS 423 HD1 LYS 423 -27.481 11.460 -4.189 21 HE2 LYS 423 HE2 LYS 423 -25.947 12.649 -5.659 22 HE3 LYS 423 HE1 LYS 423 -25.380 11.008 -5.346 23 HZ1 LYS 423 HZ1 LYS 423 -27.037 11.316 -7.711 24 HZ2 LYS 423 HZ2 LYS 423 -25.607 10.431 -7.488 25 HZ3 LYS 423 HZ3 LYS 423 -25.531 12.096 -7.778 26 H ALA 424 HN ALA 424 -26.579 6.659 -2.678 27 HA ALA 424 HA ALA 424 -25.063 5.448 -1.521 28 HB1 ALA 424 HB1 ALA 424 -23.548 3.859 -2.801 29 HB2 ALA 424 HB2 ALA 424 -24.414 4.370 -4.250 30 HB3 ALA 424 HB3 ALA 424 -25.284 3.582 -2.935 31 H SER 425 HN SER 425 -23.088 6.032 -4.418 32 HA SER 425 HA SER 425 -21.152 7.446 -2.760 33 HG SER 425 HG SER 425 -19.286 8.116 -5.246 34 HB2 SER 425 HB2 SER 425 -20.448 5.693 -4.447 35 HB3 SER 425 HB1 SER 425 -20.940 6.819 -5.712 36 H LYS 426 HN LYS 426 -20.604 9.581 -3.065 37 HA LYS 426 HA LYS 426 -21.795 11.156 -5.157 38 HB2 LYS 426 HB2 LYS 426 -23.000 12.711 -3.719 39 HB3 LYS 426 HB1 LYS 426 -23.641 11.090 -3.501 40 HG2 LYS 426 HG2 LYS 426 -22.644 10.860 -1.390 41 HG3 LYS 426 HG1 LYS 426 -21.570 12.233 -1.658 42 HD2 LYS 426 HD2 LYS 426 -23.548 13.720 -1.672 43 HD3 LYS 426 HD1 LYS 426 -24.563 12.328 -1.287 44 HE2 LYS 426 HE2 LYS 426 -23.469 12.025 0.814 45 HE3 LYS 426 HE1 LYS 426 -22.237 13.218 0.406 46 HZ1 LYS 426 HZ1 LYS 426 -24.146 14.845 0.258 47 HZ2 LYS 426 HZ2 LYS 426 -23.710 14.321 1.812 48 HZ3 LYS 426 HZ3 LYS 426 -25.086 13.678 1.053 49 H SER 427 HN SER 427 -20.946 13.335 -5.190 50 HA SER 427 HA SER 427 -19.386 14.968 -4.925 51 HG SER 427 HG SER 427 -20.082 14.272 -1.409 52 HB2 SER 427 HB2 SER 427 -18.409 13.542 -2.444 53 HB3 SER 427 HB1 SER 427 -18.166 15.233 -2.875 54 H GLY 428 HN GLY 428 -18.119 11.750 -4.138 55 HA2 GLY 428 HA2 GLY 428 -16.428 11.608 -6.376 56 HA3 GLY 428 HA1 GLY 428 -15.488 12.176 -4.998 57 H VAL 429 HN VAL 429 -14.951 9.758 -6.258 58 HA VAL 429 HA VAL 429 -16.158 7.496 -5.110 59 HB VAL 429 HB VAL 429 -13.299 7.812 -6.059 60 HG11 VAL 429 HG11 VAL 429 -13.119 5.488 -6.161 61 HG12 VAL 429 HG12 VAL 429 -14.863 5.253 -6.022 62 HG13 VAL 429 HG13 VAL 429 -13.930 5.774 -4.618 63 HG21 VAL 429 HG21 VAL 429 -15.862 7.174 -7.484 64 HG22 VAL 429 HG22 VAL 429 -14.294 6.675 -8.123 65 HG23 VAL 429 HG23 VAL 429 -14.643 8.389 -7.883 66 HA PRO 430 HA PRO 430 -14.796 7.894 -0.911 67 HB2 PRO 430 HB2 PRO 430 -15.408 5.383 -0.057 68 HB3 PRO 430 HB1 PRO 430 -16.625 6.635 -0.340 69 HG2 PRO 430 HG2 PRO 430 -15.778 4.374 -2.110 70 HG3 PRO 430 HG1 PRO 430 -17.412 4.962 -1.751 71 HD2 PRO 430 HD2 PRO 430 -16.128 5.603 -4.034 72 HD3 PRO 430 HD1 PRO 430 -17.244 6.725 -3.230 73 H VAL 431 HN VAL 431 -12.731 7.307 -2.834 74 HA VAL 431 HA VAL 431 -11.109 5.219 -1.638 75 HB VAL 431 HB VAL 431 -11.011 5.416 -4.044 76 HG11 VAL 431 HG11 VAL 431 -10.879 7.305 -5.209 77 HG12 VAL 431 HG12 VAL 431 -9.544 7.920 -4.231 78 HG13 VAL 431 HG13 VAL 431 -11.206 8.128 -3.684 79 HG21 VAL 431 HG21 VAL 431 -8.472 5.935 -4.262 80 HG22 VAL 431 HG22 VAL 431 -9.012 4.559 -3.302 81 HG23 VAL 431 HG23 VAL 431 -8.539 6.059 -2.505 82 H THR 432 HN THR 432 -11.486 6.562 0.398 83 HA THR 432 HA THR 432 -10.032 8.982 0.745 84 HB THR 432 HB THR 432 -10.904 7.203 3.009 85 HG1 THR 432 HG1 THR 432 -12.471 8.580 1.103 86 HG21 THR 432 HG21 THR 432 -10.699 9.050 4.271 87 HG22 THR 432 HG22 THR 432 -11.526 10.055 3.081 88 HG23 THR 432 HG23 THR 432 -9.798 9.734 2.919 89 H GLN 433 HN GLN 433 -8.138 7.563 -0.312 90 HA GLN 433 HA GLN 433 -6.159 7.230 1.766 91 HB2 GLN 433 HB2 GLN 433 -7.462 5.002 1.455 92 HB3 GLN 433 HB1 GLN 433 -6.616 4.891 -0.081 93 HG2 GLN 433 HG2 GLN 433 -5.421 3.593 1.497 94 HG3 GLN 433 HG1 GLN 433 -4.469 5.042 1.179 95 HE21 GLN 433 HE21 GLN 433 -5.645 3.046 3.531 96 HE22 GLN 433 HE22 GLN 433 -5.491 4.101 4.897 97 H THR 434 HN THR 434 -6.300 9.138 -0.101 98 HA THR 434 HA THR 434 -5.324 10.181 -1.840 99 HB THR 434 HB THR 434 -2.952 9.749 -2.294 100 HG1 THR 434 HG1 THR 434 -3.562 7.277 -1.280 101 HG21 THR 434 HG21 THR 434 -4.074 10.188 0.345 102 HG22 THR 434 HG22 THR 434 -2.772 11.035 -0.494 103 HG23 THR 434 HG23 THR 434 -2.428 9.554 0.400 104 H GLN 435 HN GLN 435 -3.528 8.982 -3.873 105 HA GLN 435 HA GLN 435 -5.198 6.979 -5.154 106 HB2 GLN 435 HB2 GLN 435 -4.736 9.750 -6.264 107 HB3 GLN 435 HB1 GLN 435 -5.206 8.390 -7.274 108 HG2 GLN 435 HG2 GLN 435 -7.273 8.148 -6.078 109 HG3 GLN 435 HG1 GLN 435 -6.789 9.385 -4.918 110 HE21 GLN 435 HE21 GLN 435 -7.609 11.297 -5.250 111 HE22 GLN 435 HE22 GLN 435 -8.124 11.953 -6.768 112 H THR 436 HN THR 436 -4.115 5.770 -6.689 113 HA THR 436 HA THR 436 -1.204 6.141 -6.685 114 HB THR 436 HB THR 436 -2.730 3.689 -7.574 115 HG1 THR 436 HG1 THR 436 -2.378 4.694 -5.066 116 HG21 THR 436 HG21 THR 436 -0.011 4.416 -7.679 117 HG22 THR 436 HG22 THR 436 -0.720 2.836 -8.015 118 HG23 THR 436 HG23 THR 436 -0.159 3.224 -6.387 119 H ALA 437 HN ALA 437 -3.848 5.198 -8.879 120 HA ALA 437 HA ALA 437 -3.294 6.962 -10.924 121 HB1 ALA 437 HB1 ALA 437 -2.337 4.440 -12.083 122 HB2 ALA 437 HB2 ALA 437 -1.229 5.177 -10.925 123 HB3 ALA 437 HB3 ALA 437 -1.770 6.091 -12.333 124 H GLY 438 HN GLY 438 -3.958 3.484 -10.619 125 HA2 GLY 438 HA2 GLY 438 -6.737 3.858 -11.308 126 HA3 GLY 438 HA1 GLY 438 -5.806 3.060 -12.572 127 H ALA 439 HN ALA 439 -5.086 2.754 -9.218 128 HA ALA 439 HA ALA 439 -6.542 0.356 -8.713 129 HB1 ALA 439 HB1 ALA 439 -3.748 -0.349 -8.395 130 HB2 ALA 439 HB2 ALA 439 -4.144 -0.013 -10.079 131 HB3 ALA 439 HB3 ALA 439 -5.047 -1.237 -9.192 132 H ASP 440 HN ASP 440 -6.464 2.786 -7.572 133 HA ASP 440 HA ASP 440 -4.551 3.228 -5.590 134 HB2 ASP 440 HB2 ASP 440 -7.357 4.198 -5.203 135 HB3 ASP 440 HB1 ASP 440 -5.839 5.042 -4.928 136 H THR 441 HN THR 441 -7.579 1.537 -5.546 137 HA THR 441 HA THR 441 -7.631 1.054 -2.730 138 HB THR 441 HB THR 441 -9.446 -0.626 -3.446 139 HG1 THR 441 HG1 THR 441 -9.017 -0.947 -5.585 140 HG21 THR 441 HG21 THR 441 -11.053 1.186 -3.887 141 HG22 THR 441 HG22 THR 441 -9.714 2.299 -4.150 142 HG23 THR 441 HG23 THR 441 -9.966 1.584 -2.558 143 H THR 442 HN THR 442 -5.150 0.195 -3.819 144 HA THR 442 HA THR 442 -5.087 -2.610 -4.246 145 HB THR 442 HB THR 442 -2.966 -0.638 -3.385 146 HG1 THR 442 HG1 THR 442 -3.461 -0.399 -5.527 147 HG21 THR 442 HG21 THR 442 -2.873 -3.465 -3.071 148 HG22 THR 442 HG22 THR 442 -1.584 -2.287 -2.809 149 HG23 THR 442 HG23 THR 442 -1.797 -3.026 -4.399 150 H ALA 443 HN ALA 443 -4.064 -0.712 -1.433 151 HA ALA 443 HA ALA 443 -5.543 -1.842 0.532 152 HB1 ALA 443 HB1 ALA 443 -4.083 -3.926 -0.311 153 HB2 ALA 443 HB2 ALA 443 -4.572 -3.723 1.371 154 HB3 ALA 443 HB3 ALA 443 -2.954 -3.246 0.860 155 H GLU 444 HN GLU 444 -2.235 -1.019 -0.292 156 HA GLU 444 HA GLU 444 -0.711 0.397 0.565 157 HB2 GLU 444 HB2 GLU 444 -3.208 1.675 1.593 158 HB3 GLU 444 HB1 GLU 444 -1.647 2.236 2.177 159 HG2 GLU 444 HG2 GLU 444 -1.006 2.432 -0.282 160 HG3 GLU 444 HG1 GLU 444 -2.730 2.282 -0.611 161 H LYS 445 HN LYS 445 -1.051 -2.050 1.696 162 HA LYS 445 HA LYS 445 -0.957 -1.961 4.550 163 HB2 LYS 445 HB2 LYS 445 -1.428 -4.054 3.438 164 HB3 LYS 445 HB1 LYS 445 0.063 -3.952 2.515 165 HG2 LYS 445 HG2 LYS 445 1.317 -4.150 4.650 166 HG3 LYS 445 HG1 LYS 445 -0.220 -4.430 5.471 167 HD2 LYS 445 HD2 LYS 445 0.689 -6.574 5.054 168 HD3 LYS 445 HD1 LYS 445 -0.581 -6.347 3.853 169 HE2 LYS 445 HE2 LYS 445 2.308 -5.739 3.271 170 HE3 LYS 445 HE1 LYS 445 1.630 -7.349 3.059 171 HZ1 LYS 445 HZ1 LYS 445 -0.088 -6.199 1.594 172 HZ2 LYS 445 HZ2 LYS 445 1.481 -6.360 0.970 173 HZ3 LYS 445 HZ3 LYS 445 0.966 -4.868 1.587 174 H CYS 446 HN CYS 446 1.436 -1.970 1.948 175 HA CYS 446 HA CYS 446 3.502 -1.223 3.875 176 HB2 CYS 446 HB2 CYS 446 3.883 -3.032 2.110 177 HB3 CYS 446 HB1 CYS 446 3.914 -1.722 0.939 178 H LYS 447 HN LYS 447 1.918 -0.001 0.925 179 HA LYS 447 HA LYS 447 3.591 2.174 0.505 180 HB2 LYS 447 HB2 LYS 447 1.793 1.360 -1.070 181 HB3 LYS 447 HB1 LYS 447 0.628 2.215 -0.065 182 HG2 LYS 447 HG2 LYS 447 1.554 4.318 -0.594 183 HG3 LYS 447 HG1 LYS 447 3.005 3.590 -1.284 184 HD2 LYS 447 HD2 LYS 447 1.775 4.237 -3.151 185 HD3 LYS 447 HD1 LYS 447 1.406 2.522 -2.990 186 HE2 LYS 447 HE2 LYS 447 -0.616 3.733 -3.463 187 HE3 LYS 447 HE1 LYS 447 -0.677 3.119 -1.812 188 HZ1 LYS 447 HZ1 LYS 447 -0.346 5.893 -2.750 189 HZ2 LYS 447 HZ2 LYS 447 0.241 5.446 -1.220 190 HZ3 LYS 447 HZ3 LYS 447 -1.406 5.273 -1.578 191 H GLY 448 HN GLY 448 3.969 3.982 1.552 192 HA2 GLY 448 HA2 GLY 448 2.716 5.910 2.668 193 HA3 GLY 448 HA1 GLY 448 2.135 4.655 3.750 194 H LYS 449 HN LYS 449 4.912 3.337 3.393 195 HA LYS 449 HA LYS 449 6.067 4.827 5.639 196 HB2 LYS 449 HB2 LYS 449 7.155 2.234 4.572 197 HB3 LYS 449 HB1 LYS 449 7.218 2.866 6.213 198 HG2 LYS 449 HG2 LYS 449 4.890 2.420 6.536 199 HG3 LYS 449 HG1 LYS 449 4.700 1.964 4.846 200 HD2 LYS 449 HD2 LYS 449 4.784 -0.043 6.128 201 HD3 LYS 449 HD1 LYS 449 6.313 0.095 5.259 202 HE2 LYS 449 HE2 LYS 449 7.449 0.815 7.221 203 HE3 LYS 449 HE1 LYS 449 5.931 0.989 8.106 204 HZ1 LYS 449 HZ1 LYS 449 5.861 -1.594 7.330 205 HZ2 LYS 449 HZ2 LYS 449 6.389 -1.051 8.846 206 HZ3 LYS 449 HZ3 LYS 449 7.517 -1.372 7.622 207 H GLY 450 HN GLY 450 8.768 3.753 5.115 208 HA2 GLY 450 HA2 GLY 450 9.505 5.360 2.759 209 HA3 GLY 450 HA1 GLY 450 10.392 5.489 4.263 210 H GLU 451 HN GLU 451 11.585 4.823 1.856 211 HA GLU 451 HA GLU 451 11.808 2.311 0.966 212 HB2 GLU 451 HB2 GLU 451 13.063 4.179 0.054 213 HB3 GLU 451 HB1 GLU 451 14.116 4.192 1.461 214 HG2 GLU 451 HG2 GLU 451 14.878 1.923 0.852 215 HG3 GLU 451 HG1 GLU 451 13.891 2.018 -0.605 216 H LYS 452 HN LYS 452 13.493 3.450 3.895 217 HA LYS 452 HA LYS 452 14.962 1.078 4.303 218 HB2 LYS 452 HB2 LYS 452 14.054 3.162 6.290 219 HB3 LYS 452 HB1 LYS 452 15.205 1.883 6.657 220 HG2 LYS 452 HG2 LYS 452 15.541 4.111 4.660 221 HG3 LYS 452 HG1 LYS 452 16.396 3.912 6.192 222 HD2 LYS 452 HD2 LYS 452 17.474 1.907 5.375 223 HD3 LYS 452 HD1 LYS 452 16.535 1.976 3.881 224 HE2 LYS 452 HE2 LYS 452 17.597 4.160 3.374 225 HE3 LYS 452 HE1 LYS 452 18.602 3.967 4.810 226 HZ1 LYS 452 HZ1 LYS 452 19.794 2.263 3.859 227 HZ2 LYS 452 HZ2 LYS 452 19.500 3.247 2.510 228 HZ3 LYS 452 HZ3 LYS 452 18.568 1.854 2.759 229 H ASP 453 HN ASP 453 11.786 2.074 5.482 230 HA ASP 453 HA ASP 453 11.314 -0.353 6.973 231 HB2 ASP 453 HB2 ASP 453 9.368 1.743 5.969 232 HB3 ASP 453 HB1 ASP 453 8.987 0.462 7.113 233 H CYS 454 HN CYS 454 10.150 1.045 3.962 234 HA CYS 454 HA CYS 454 8.809 -1.223 2.971 235 HB2 CYS 454 HB2 CYS 454 9.861 1.327 1.744 236 HB3 CYS 454 HB1 CYS 454 8.745 0.244 0.960 237 H LYS 455 HN LYS 455 11.143 -2.321 3.645 238 HA LYS 455 HA LYS 455 13.252 -2.143 1.803 239 HB2 LYS 455 HB2 LYS 455 14.010 -4.315 2.783 240 HB3 LYS 455 HB1 LYS 455 13.685 -3.057 3.968 241 HG2 LYS 455 HG2 LYS 455 11.468 -4.093 4.378 242 HG3 LYS 455 HG1 LYS 455 11.934 -5.411 3.299 243 HD2 LYS 455 HD2 LYS 455 13.451 -4.599 5.773 244 HD3 LYS 455 HD1 LYS 455 12.293 -5.928 5.703 245 HE2 LYS 455 HE2 LYS 455 13.672 -7.039 4.021 246 HE3 LYS 455 HE1 LYS 455 14.816 -5.700 4.065 247 HZ1 LYS 455 HZ1 LYS 455 15.419 -7.719 5.402 248 HZ2 LYS 455 HZ2 LYS 455 14.157 -7.313 6.461 249 HZ3 LYS 455 HZ3 LYS 455 15.458 -6.247 6.243 250 H SER 456 HN SER 456 13.825 -3.319 0.063 251 HA SER 456 HA SER 456 11.892 -3.854 -1.767 252 HG SER 456 HG SER 456 13.966 -4.047 -4.109 253 HB2 SER 456 HB2 SER 456 14.378 -3.499 -2.140 254 HB3 SER 456 HB1 SER 456 14.579 -5.224 -1.848 255 HA PRO 457 HA PRO 457 12.270 -8.695 -1.068 256 HB2 PRO 457 HB2 PRO 457 12.578 -9.299 1.623 257 HB3 PRO 457 HB1 PRO 457 13.845 -9.415 0.397 258 HG2 PRO 457 HG2 PRO 457 13.294 -7.235 2.363 259 HG3 PRO 457 HG1 PRO 457 14.851 -7.894 1.822 260 HD2 PRO 457 HD2 PRO 457 13.942 -5.557 0.901 261 HD3 PRO 457 HD1 PRO 457 14.813 -6.684 -0.158 262 H ASP 458 HN ASP 458 11.101 -6.583 1.522 263 HA ASP 458 HA ASP 458 8.718 -8.183 1.938 264 HB2 ASP 458 HB2 ASP 458 10.058 -6.847 3.720 265 HB3 ASP 458 HB1 ASP 458 9.192 -5.448 3.100 266 H CYS 459 HN CYS 459 9.632 -5.133 0.436 267 HA CYS 459 HA CYS 459 6.911 -4.886 -0.680 268 HB2 CYS 459 HB2 CYS 459 8.556 -2.699 0.615 269 HB3 CYS 459 HB1 CYS 459 7.010 -2.464 -0.204 270 H LYS 460 HN LYS 460 6.822 -4.248 -2.733 271 HA LYS 460 HA LYS 460 9.247 -4.027 -4.263 272 HB2 LYS 460 HB2 LYS 460 7.067 -5.036 -5.083 273 HB3 LYS 460 HB1 LYS 460 6.432 -3.401 -5.163 274 HG2 LYS 460 HG2 LYS 460 8.124 -2.797 -6.792 275 HG3 LYS 460 HG1 LYS 460 8.819 -4.417 -6.686 276 HD2 LYS 460 HD2 LYS 460 6.649 -5.337 -7.448 277 HD3 LYS 460 HD1 LYS 460 6.063 -3.687 -7.663 278 HE2 LYS 460 HE2 LYS 460 7.857 -3.271 -9.277 279 HE3 LYS 460 HE1 LYS 460 8.425 -4.927 -9.069 280 HZ1 LYS 460 HZ1 LYS 460 5.657 -4.344 -9.926 281 HZ2 LYS 460 HZ2 LYS 460 6.540 -5.780 -10.103 282 HZ3 LYS 460 HZ3 LYS 460 6.930 -4.423 -11.047 283 H TRP 461 HN TRP 461 10.087 -2.150 -5.192 284 HA TRP 461 HA TRP 461 9.006 0.339 -4.031 285 HD1 TRP 461 HD1 TRP 461 12.758 2.304 -5.123 286 HE1 TRP 461 HE1 TRP 461 12.592 4.474 -3.749 287 HE3 TRP 461 HE3 TRP 461 9.446 0.739 -1.535 288 HZ2 TRP 461 HZ2 TRP 461 11.237 5.374 -1.437 289 HZ3 TRP 461 HZ3 TRP 461 8.785 2.321 0.217 290 HH2 TRP 461 HH2 TRP 461 9.663 4.595 0.258 291 HB2 TRP 461 HB2 TRP 461 11.312 -0.521 -3.288 292 HB3 TRP 461 HB1 TRP 461 11.865 -0.080 -4.901 293 H GLU 462 HN GLU 462 8.303 1.850 -5.419 294 HA GLU 462 HA GLU 462 8.814 1.428 -8.261 295 HB2 GLU 462 HB2 GLU 462 6.481 1.709 -7.530 296 HB3 GLU 462 HB1 GLU 462 6.877 3.295 -6.886 297 HG2 GLU 462 HG2 GLU 462 7.442 4.057 -9.152 298 HG3 GLU 462 HG1 GLU 462 6.984 2.477 -9.780 299 H GLY 463 HN GLY 463 8.535 4.320 -6.210 300 HA2 GLY 463 HA2 GLY 463 11.091 5.352 -6.815 301 HA3 GLY 463 HA1 GLY 463 9.911 6.021 -7.937 302 H GLY 464 HN GLY 464 10.906 5.800 -4.608 303 HA2 GLY 464 HA2 GLY 464 10.550 7.219 -2.822 304 HA3 GLY 464 HA1 GLY 464 9.861 8.380 -3.952 305 H THR 465 HN THR 465 8.721 5.111 -3.618 306 HA THR 465 HA THR 465 6.600 5.666 -1.807 307 HB THR 465 HB THR 465 5.690 6.835 -3.786 308 HG1 THR 465 HG1 THR 465 3.911 6.108 -2.890 309 HG21 THR 465 HG21 THR 465 6.903 5.010 -5.333 310 HG22 THR 465 HG22 THR 465 5.516 5.949 -5.882 311 HG23 THR 465 HG23 THR 465 5.286 4.301 -5.286 312 H CYS 466 HN CYS 466 6.043 3.779 -0.883 313 HA CYS 466 HA CYS 466 7.306 1.399 -1.796 314 HB2 CYS 466 HB2 CYS 466 5.219 1.303 0.328 315 HB3 CYS 466 HB1 CYS 466 6.790 0.536 0.237 316 H LYS 467 HN LYS 467 6.361 -0.431 -2.708 317 HA LYS 467 HA LYS 467 3.632 -0.024 -3.679 318 HB2 LYS 467 HB2 LYS 467 5.629 -2.147 -4.482 319 HB3 LYS 467 HB1 LYS 467 4.054 -1.875 -5.216 320 HG2 LYS 467 HG2 LYS 467 6.477 -0.102 -5.323 321 HG3 LYS 467 HG1 LYS 467 5.647 -0.895 -6.661 322 HD2 LYS 467 HD2 LYS 467 4.457 1.278 -4.934 323 HD3 LYS 467 HD1 LYS 467 5.180 1.534 -6.521 324 HE2 LYS 467 HE2 LYS 467 3.511 0.253 -7.589 325 HE3 LYS 467 HE1 LYS 467 2.900 -0.364 -6.058 326 HZ1 LYS 467 HZ1 LYS 467 2.704 2.358 -5.850 327 HZ2 LYS 467 HZ2 LYS 467 1.431 1.280 -6.151 328 HZ3 LYS 467 HZ3 LYS 467 2.230 2.030 -7.445 329 H ASP 468 HN ASP 468 2.353 -2.179 -3.744 330 HA ASP 468 HA ASP 468 2.611 -3.636 -1.234 331 HB2 ASP 468 HB2 ASP 468 1.478 -1.399 -0.855 332 HB3 ASP 468 HB1 ASP 468 0.169 -1.976 -1.882 Start of MODEL 23 1 H1 GLY 421 HT1 GLY 421 -40.718 -18.433 -12.331 2 H2 GLY 421 HT2 GLY 421 -41.067 -20.072 -12.592 3 H3 GLY 421 HT3 GLY 421 -39.480 -19.501 -12.779 4 HA2 GLY 421 HA1 GLY 421 -40.704 -19.048 -10.184 5 HA3 GLY 421 HA2 GLY 421 -40.332 -20.717 -10.588 6 H THR 422 HN THR 422 -39.159 -18.487 -8.765 7 HA THR 422 HA THR 422 -36.566 -17.897 -9.641 8 HB THR 422 HB THR 422 -37.303 -18.311 -6.749 9 HG1 THR 422 HG1 THR 422 -37.687 -15.772 -7.647 10 HG21 THR 422 HG21 THR 422 -35.428 -17.176 -6.299 11 HG22 THR 422 HG22 THR 422 -35.817 -15.928 -7.482 12 HG23 THR 422 HG23 THR 422 -34.993 -17.401 -7.992 13 H LYS 423 HN LYS 423 -37.732 -20.513 -7.531 14 HA LYS 423 HA LYS 423 -36.830 -22.489 -6.874 15 HB2 LYS 423 HB2 LYS 423 -35.460 -22.257 -9.561 16 HB3 LYS 423 HB1 LYS 423 -35.493 -23.719 -8.584 17 HG2 LYS 423 HG2 LYS 423 -37.908 -23.824 -8.778 18 HG3 LYS 423 HG1 LYS 423 -37.912 -22.319 -9.701 19 HD2 LYS 423 HD2 LYS 423 -38.089 -24.221 -11.199 20 HD3 LYS 423 HD1 LYS 423 -36.548 -23.397 -11.438 21 HE2 LYS 423 HE2 LYS 423 -36.130 -25.752 -11.447 22 HE3 LYS 423 HE1 LYS 423 -35.495 -25.094 -9.939 23 HZ1 LYS 423 HZ1 LYS 423 -38.164 -25.871 -9.533 24 HZ2 LYS 423 HZ2 LYS 423 -36.763 -26.503 -8.817 25 HZ3 LYS 423 HZ3 LYS 423 -37.339 -27.157 -10.272 26 H ALA 424 HN ALA 424 -33.990 -23.142 -8.057 27 HA ALA 424 HA ALA 424 -31.865 -23.153 -7.258 28 HB1 ALA 424 HB1 ALA 424 -31.471 -21.091 -8.214 29 HB2 ALA 424 HB2 ALA 424 -31.042 -20.796 -6.529 30 HB3 ALA 424 HB3 ALA 424 -32.604 -20.260 -7.146 31 H SER 425 HN SER 425 -33.733 -24.060 -5.436 32 HA SER 425 HA SER 425 -33.964 -24.641 -3.263 33 HG SER 425 HG SER 425 -32.175 -25.920 -3.864 34 HB2 SER 425 HB2 SER 425 -31.205 -23.439 -2.961 35 HB3 SER 425 HB1 SER 425 -31.991 -24.529 -1.816 36 H LYS 426 HN LYS 426 -35.627 -22.917 -3.369 37 HA LYS 426 HA LYS 426 -35.346 -20.327 -2.451 38 HB2 LYS 426 HB2 LYS 426 -37.653 -22.241 -2.053 39 HB3 LYS 426 HB1 LYS 426 -37.736 -20.520 -1.710 40 HG2 LYS 426 HG2 LYS 426 -37.178 -21.740 -4.406 41 HG3 LYS 426 HG1 LYS 426 -38.726 -21.082 -3.871 42 HD2 LYS 426 HD2 LYS 426 -36.141 -19.552 -4.170 43 HD3 LYS 426 HD1 LYS 426 -37.532 -19.466 -5.251 44 HE2 LYS 426 HE2 LYS 426 -37.515 -18.682 -2.337 45 HE3 LYS 426 HE1 LYS 426 -37.446 -17.565 -3.699 46 HZ1 LYS 426 HZ1 LYS 426 -39.631 -17.727 -4.035 47 HZ2 LYS 426 HZ2 LYS 426 -39.707 -18.374 -2.468 48 HZ3 LYS 426 HZ3 LYS 426 -39.665 -19.409 -3.812 49 H SER 427 HN SER 427 -34.876 -19.424 -0.591 50 HA SER 427 HA SER 427 -35.578 -20.404 1.960 51 HG SER 427 HG SER 427 -32.859 -21.257 -0.079 52 HB2 SER 427 HB2 SER 427 -33.137 -20.786 2.714 53 HB3 SER 427 HB1 SER 427 -33.912 -22.077 1.797 54 H GLY 428 HN GLY 428 -33.274 -18.510 0.068 55 HA2 GLY 428 HA2 GLY 428 -32.850 -16.240 0.147 56 HA3 GLY 428 HA1 GLY 428 -34.015 -16.097 1.456 57 H VAL 429 HN VAL 429 -33.171 -17.418 3.479 58 HA VAL 429 HA VAL 429 -31.878 -16.978 5.324 59 HB VAL 429 HB VAL 429 -31.193 -19.165 4.558 60 HG11 VAL 429 HG11 VAL 429 -30.345 -18.344 2.311 61 HG12 VAL 429 HG12 VAL 429 -29.437 -19.637 3.095 62 HG13 VAL 429 HG13 VAL 429 -28.831 -17.981 3.142 63 HG21 VAL 429 HG21 VAL 429 -28.948 -17.496 5.664 64 HG22 VAL 429 HG22 VAL 429 -28.917 -19.258 5.585 65 HG23 VAL 429 HG23 VAL 429 -30.139 -18.442 6.557 66 HA PRO 430 HA PRO 430 -29.604 -13.287 3.626 67 HB2 PRO 430 HB2 PRO 430 -31.030 -11.359 4.863 68 HB3 PRO 430 HB1 PRO 430 -31.539 -12.081 3.331 69 HG2 PRO 430 HG2 PRO 430 -32.493 -12.651 6.107 70 HG3 PRO 430 HG1 PRO 430 -33.431 -12.500 4.611 71 HD2 PRO 430 HD2 PRO 430 -32.732 -14.894 5.722 72 HD3 PRO 430 HD1 PRO 430 -33.011 -14.663 3.986 73 H VAL 431 HN VAL 431 -28.744 -14.955 5.742 74 HA VAL 431 HA VAL 431 -28.321 -13.401 8.115 75 HB VAL 431 HB VAL 431 -28.309 -15.834 8.258 76 HG11 VAL 431 HG11 VAL 431 -27.375 -16.267 5.998 77 HG12 VAL 431 HG12 VAL 431 -26.615 -17.220 7.274 78 HG13 VAL 431 HG13 VAL 431 -25.784 -15.811 6.612 79 HG21 VAL 431 HG21 VAL 431 -25.870 -16.053 9.235 80 HG22 VAL 431 HG22 VAL 431 -27.097 -15.064 10.026 81 HG23 VAL 431 HG23 VAL 431 -25.878 -14.305 9.004 82 H THR 432 HN THR 432 -26.927 -11.807 8.343 83 HA THR 432 HA THR 432 -24.403 -11.729 6.904 84 HB THR 432 HB THR 432 -26.258 -9.393 6.471 85 HG1 THR 432 HG1 THR 432 -26.314 -11.885 5.219 86 HG21 THR 432 HG21 THR 432 -24.801 -8.969 4.562 87 HG22 THR 432 HG22 THR 432 -23.918 -10.460 4.883 88 HG23 THR 432 HG23 THR 432 -23.841 -9.127 6.033 89 H GLN 433 HN GLN 433 -24.670 -11.928 9.565 90 HA GLN 433 HA GLN 433 -24.848 -9.383 10.881 91 HB2 GLN 433 HB2 GLN 433 -25.383 -11.598 11.952 92 HB3 GLN 433 HB1 GLN 433 -23.662 -11.948 11.953 93 HG2 GLN 433 HG2 GLN 433 -24.352 -11.167 14.125 94 HG3 GLN 433 HG1 GLN 433 -23.277 -9.986 13.376 95 HE21 GLN 433 HE21 GLN 433 -26.219 -10.474 14.905 96 HE22 GLN 433 HE22 GLN 433 -26.937 -8.934 14.573 97 H THR 434 HN THR 434 -22.262 -11.517 9.796 98 HA THR 434 HA THR 434 -20.189 -9.687 10.689 99 HB THR 434 HB THR 434 -18.734 -11.365 9.339 100 HG1 THR 434 HG1 THR 434 -20.184 -12.541 8.204 101 HG21 THR 434 HG21 THR 434 -19.789 -12.999 11.459 102 HG22 THR 434 HG22 THR 434 -19.673 -11.319 11.979 103 HG23 THR 434 HG23 THR 434 -18.245 -12.152 11.363 104 H GLN 435 HN GLN 435 -21.958 -8.438 8.972 105 HA GLN 435 HA GLN 435 -21.179 -8.570 6.252 106 HB2 GLN 435 HB2 GLN 435 -22.569 -6.622 5.909 107 HB3 GLN 435 HB1 GLN 435 -23.392 -7.744 6.982 108 HG2 GLN 435 HG2 GLN 435 -22.769 -6.380 8.900 109 HG3 GLN 435 HG1 GLN 435 -21.915 -5.266 7.834 110 HE21 GLN 435 HE21 GLN 435 -23.001 -3.543 7.214 111 HE22 GLN 435 HE22 GLN 435 -24.730 -3.396 7.156 112 H THR 436 HN THR 436 -19.772 -7.427 5.085 113 HA THR 436 HA THR 436 -18.574 -4.998 5.824 114 HB THR 436 HB THR 436 -17.433 -6.448 7.515 115 HG1 THR 436 HG1 THR 436 -16.270 -4.674 6.980 116 HG21 THR 436 HG21 THR 436 -16.277 -7.775 5.062 117 HG22 THR 436 HG22 THR 436 -17.259 -8.532 6.318 118 HG23 THR 436 HG23 THR 436 -15.634 -7.958 6.693 119 H ALA 437 HN ALA 437 -17.280 -4.182 4.156 120 HA ALA 437 HA ALA 437 -17.741 -5.431 1.613 121 HB1 ALA 437 HB1 ALA 437 -17.912 -3.071 1.669 122 HB2 ALA 437 HB2 ALA 437 -16.455 -3.440 0.744 123 HB3 ALA 437 HB3 ALA 437 -16.324 -2.900 2.421 124 H GLY 438 HN GLY 438 -15.308 -4.544 0.325 125 HA2 GLY 438 HA2 GLY 438 -12.984 -5.645 1.448 126 HA3 GLY 438 HA1 GLY 438 -13.774 -6.886 0.482 127 H ALA 439 HN ALA 439 -12.699 -7.062 -1.342 128 HA ALA 439 HA ALA 439 -11.729 -6.587 -3.333 129 HB1 ALA 439 HB1 ALA 439 -12.522 -4.311 -4.366 130 HB2 ALA 439 HB2 ALA 439 -13.690 -4.361 -3.046 131 HB3 ALA 439 HB3 ALA 439 -13.633 -5.674 -4.222 132 H ASP 440 HN ASP 440 -9.977 -6.288 -1.466 133 HA ASP 440 HA ASP 440 -8.338 -4.060 -2.323 134 HB2 ASP 440 HB2 ASP 440 -9.796 -3.209 -0.416 135 HB3 ASP 440 HB1 ASP 440 -8.955 -4.354 0.621 136 H THR 441 HN THR 441 -6.463 -5.001 -2.717 137 HA THR 441 HA THR 441 -5.685 -7.332 -1.116 138 HB THR 441 HB THR 441 -4.005 -7.585 -3.116 139 HG1 THR 441 HG1 THR 441 -4.305 -6.157 -4.644 140 HG21 THR 441 HG21 THR 441 -5.453 -9.338 -3.029 141 HG22 THR 441 HG22 THR 441 -6.114 -8.546 -4.460 142 HG23 THR 441 HG23 THR 441 -6.871 -8.299 -2.887 143 H THR 442 HN THR 442 -4.754 -4.134 -2.034 144 HA THR 442 HA THR 442 -2.015 -4.229 -1.443 145 HB THR 442 HB THR 442 -3.868 -1.856 -1.169 146 HG1 THR 442 HG1 THR 442 -2.449 -2.920 -3.414 147 HG21 THR 442 HG21 THR 442 -1.114 -2.133 -0.619 148 HG22 THR 442 HG22 THR 442 -2.058 -0.645 -0.695 149 HG23 THR 442 HG23 THR 442 -1.242 -1.247 -2.137 150 H ALA 443 HN ALA 443 -4.753 -3.140 0.581 151 HA ALA 443 HA ALA 443 -5.061 -3.013 2.819 152 HB1 ALA 443 HB1 ALA 443 -2.763 -4.949 2.849 153 HB2 ALA 443 HB2 ALA 443 -4.485 -5.292 3.023 154 HB3 ALA 443 HB3 ALA 443 -3.620 -4.441 4.306 155 H GLU 444 HN GLU 444 -2.226 -1.944 1.378 156 HA GLU 444 HA GLU 444 -0.695 -0.357 1.816 157 HB2 GLU 444 HB2 GLU 444 -2.738 0.528 3.857 158 HB3 GLU 444 HB1 GLU 444 -1.301 1.447 3.427 159 HG2 GLU 444 HG2 GLU 444 -2.110 1.461 1.072 160 HG3 GLU 444 HG1 GLU 444 -3.611 0.734 1.644 161 H LYS 445 HN LYS 445 -0.156 -2.768 2.842 162 HA LYS 445 HA LYS 445 0.670 -2.677 5.589 163 HB2 LYS 445 HB2 LYS 445 0.217 -4.756 4.108 164 HB3 LYS 445 HB1 LYS 445 1.812 -4.464 3.436 165 HG2 LYS 445 HG2 LYS 445 1.365 -4.809 6.377 166 HG3 LYS 445 HG1 LYS 445 1.605 -6.181 5.297 167 HD2 LYS 445 HD2 LYS 445 3.528 -3.885 5.673 168 HD3 LYS 445 HD1 LYS 445 3.689 -5.483 6.403 169 HE2 LYS 445 HE2 LYS 445 3.561 -5.009 3.430 170 HE3 LYS 445 HE1 LYS 445 5.068 -5.090 4.337 171 HZ1 LYS 445 HZ1 LYS 445 3.091 -7.243 3.874 172 HZ2 LYS 445 HZ2 LYS 445 4.261 -7.345 5.098 173 HZ3 LYS 445 HZ3 LYS 445 4.743 -7.217 3.477 174 H CYS 446 HN CYS 446 2.053 -2.078 2.426 175 HA CYS 446 HA CYS 446 4.427 -0.912 3.730 176 HB2 CYS 446 HB2 CYS 446 4.118 -2.424 1.169 177 HB3 CYS 446 HB1 CYS 446 5.435 -1.277 1.367 178 H LYS 447 HN LYS 447 1.857 -0.446 1.426 179 HA LYS 447 HA LYS 447 2.833 1.663 -0.053 180 HB2 LYS 447 HB2 LYS 447 0.688 0.525 -0.502 181 HB3 LYS 447 HB1 LYS 447 -0.013 1.300 0.913 182 HG2 LYS 447 HG2 LYS 447 0.272 3.478 -0.109 183 HG3 LYS 447 HG1 LYS 447 1.051 2.739 -1.511 184 HD2 LYS 447 HD2 LYS 447 -1.008 1.513 -2.004 185 HD3 LYS 447 HD1 LYS 447 -1.785 2.244 -0.600 186 HE2 LYS 447 HE2 LYS 447 -2.452 3.413 -2.608 187 HE3 LYS 447 HE1 LYS 447 -1.463 4.467 -1.597 188 HZ1 LYS 447 HZ1 LYS 447 -0.711 3.112 -4.126 189 HZ2 LYS 447 HZ2 LYS 447 0.460 3.719 -3.062 190 HZ3 LYS 447 HZ3 LYS 447 -0.672 4.768 -3.759 191 H GLY 448 HN GLY 448 3.785 3.444 0.681 192 HA2 GLY 448 HA2 GLY 448 3.357 5.676 1.591 193 HA3 GLY 448 HA1 GLY 448 2.465 4.900 2.890 194 H LYS 449 HN LYS 449 4.748 2.788 2.855 195 HA LYS 449 HA LYS 449 6.159 3.933 5.036 196 HB2 LYS 449 HB2 LYS 449 6.686 1.422 3.441 197 HB3 LYS 449 HB1 LYS 449 7.532 1.850 4.921 198 HG2 LYS 449 HG2 LYS 449 4.547 1.480 4.752 199 HG3 LYS 449 HG1 LYS 449 5.675 0.199 5.198 200 HD2 LYS 449 HD2 LYS 449 5.487 2.837 6.644 201 HD3 LYS 449 HD1 LYS 449 4.597 1.391 7.127 202 HE2 LYS 449 HE2 LYS 449 6.676 0.186 7.453 203 HE3 LYS 449 HE1 LYS 449 7.598 1.579 6.888 204 HZ1 LYS 449 HZ1 LYS 449 7.729 2.024 9.071 205 HZ2 LYS 449 HZ2 LYS 449 6.369 1.092 9.467 206 HZ3 LYS 449 HZ3 LYS 449 6.171 2.667 8.866 207 H GLY 450 HN GLY 450 8.231 4.677 5.213 208 HA2 GLY 450 HA2 GLY 450 9.447 5.862 2.910 209 HA3 GLY 450 HA1 GLY 450 10.138 5.787 4.523 210 H GLU 451 HN GLU 451 11.706 5.458 2.280 211 HA GLU 451 HA GLU 451 11.998 2.935 1.223 212 HB2 GLU 451 HB2 GLU 451 13.146 4.768 0.260 213 HB3 GLU 451 HB1 GLU 451 14.017 5.100 1.753 214 HG2 GLU 451 HG2 GLU 451 15.080 2.806 1.438 215 HG3 GLU 451 HG1 GLU 451 14.433 2.870 -0.203 216 H LYS 452 HN LYS 452 13.542 4.228 4.149 217 HA LYS 452 HA LYS 452 15.141 1.949 4.645 218 HB2 LYS 452 HB2 LYS 452 14.100 4.007 6.600 219 HB3 LYS 452 HB1 LYS 452 15.399 2.864 6.916 220 HG2 LYS 452 HG2 LYS 452 16.733 3.900 5.145 221 HG3 LYS 452 HG1 LYS 452 15.429 5.052 4.847 222 HD2 LYS 452 HD2 LYS 452 15.651 5.927 7.100 223 HD3 LYS 452 HD1 LYS 452 16.902 4.734 7.460 224 HE2 LYS 452 HE2 LYS 452 17.937 6.857 6.975 225 HE3 LYS 452 HE1 LYS 452 18.302 5.719 5.681 226 HZ1 LYS 452 HZ1 LYS 452 15.929 7.181 5.113 227 HZ2 LYS 452 HZ2 LYS 452 17.357 7.056 4.204 228 HZ3 LYS 452 HZ3 LYS 452 17.220 8.237 5.416 229 H ASP 453 HN ASP 453 11.972 2.942 5.833 230 HA ASP 453 HA ASP 453 11.536 0.721 7.538 231 HB2 ASP 453 HB2 ASP 453 9.723 2.745 6.243 232 HB3 ASP 453 HB1 ASP 453 9.072 1.424 7.204 233 H CYS 454 HN CYS 454 10.594 1.431 4.225 234 HA CYS 454 HA CYS 454 8.960 -0.797 3.814 235 HB2 CYS 454 HB2 CYS 454 8.803 1.121 2.373 236 HB3 CYS 454 HB1 CYS 454 10.480 0.970 1.886 237 H LYS 455 HN LYS 455 9.423 -2.874 3.620 238 HA LYS 455 HA LYS 455 12.136 -3.803 3.284 239 HB2 LYS 455 HB2 LYS 455 9.508 -5.302 3.340 240 HB3 LYS 455 HB1 LYS 455 11.094 -6.063 3.294 241 HG2 LYS 455 HG2 LYS 455 11.644 -5.078 5.449 242 HG3 LYS 455 HG1 LYS 455 10.071 -4.278 5.493 243 HD2 LYS 455 HD2 LYS 455 8.948 -6.430 5.515 244 HD3 LYS 455 HD1 LYS 455 10.498 -7.260 5.369 245 HE2 LYS 455 HE2 LYS 455 9.704 -5.479 7.667 246 HE3 LYS 455 HE1 LYS 455 9.605 -7.238 7.679 247 HZ1 LYS 455 HZ1 LYS 455 12.095 -5.649 7.340 248 HZ2 LYS 455 HZ2 LYS 455 11.996 -7.345 7.357 249 HZ3 LYS 455 HZ3 LYS 455 11.620 -6.458 8.752 250 H SER 456 HN SER 456 13.105 -4.084 1.385 251 HA SER 456 HA SER 456 11.765 -3.446 -0.998 252 HG SER 456 HG SER 456 15.153 -2.466 -0.878 253 HB2 SER 456 HB2 SER 456 14.489 -4.726 -0.693 254 HB3 SER 456 HB1 SER 456 13.894 -3.861 -2.111 255 HA PRO 457 HA PRO 457 12.099 -8.091 -2.272 256 HB2 PRO 457 HB2 PRO 457 12.116 -9.503 0.313 257 HB3 PRO 457 HB1 PRO 457 13.096 -9.792 -1.128 258 HG2 PRO 457 HG2 PRO 457 14.154 -8.734 1.098 259 HG3 PRO 457 HG1 PRO 457 14.693 -8.240 -0.518 260 HD2 PRO 457 HD2 PRO 457 12.838 -6.837 1.373 261 HD3 PRO 457 HD1 PRO 457 14.126 -6.165 0.348 262 H ASP 458 HN ASP 458 10.622 -7.320 0.829 263 HA ASP 458 HA ASP 458 8.286 -8.884 0.451 264 HB2 ASP 458 HB2 ASP 458 9.298 -8.002 2.649 265 HB3 ASP 458 HB1 ASP 458 8.484 -6.491 2.270 266 H CYS 459 HN CYS 459 9.055 -5.448 -0.151 267 HA CYS 459 HA CYS 459 6.487 -5.243 -1.579 268 HB2 CYS 459 HB2 CYS 459 7.543 -3.185 0.365 269 HB3 CYS 459 HB1 CYS 459 6.027 -3.111 -0.528 270 H LYS 460 HN LYS 460 6.447 -3.960 -3.341 271 HA LYS 460 HA LYS 460 8.923 -3.416 -4.624 272 HB2 LYS 460 HB2 LYS 460 6.919 -4.158 -5.829 273 HB3 LYS 460 HB1 LYS 460 6.101 -2.662 -5.403 274 HG2 LYS 460 HG2 LYS 460 7.689 -1.390 -6.728 275 HG3 LYS 460 HG1 LYS 460 8.576 -2.869 -7.105 276 HD2 LYS 460 HD2 LYS 460 6.545 -3.767 -8.197 277 HD3 LYS 460 HD1 LYS 460 5.733 -2.230 -7.891 278 HE2 LYS 460 HE2 LYS 460 6.561 -2.300 -10.165 279 HE3 LYS 460 HE1 LYS 460 7.433 -1.079 -9.239 280 HZ1 LYS 460 HZ1 LYS 460 8.960 -3.280 -8.896 281 HZ2 LYS 460 HZ2 LYS 460 9.238 -2.074 -10.056 282 HZ3 LYS 460 HZ3 LYS 460 8.405 -3.487 -10.487 283 H TRP 461 HN TRP 461 10.007 -1.561 -4.925 284 HA TRP 461 HA TRP 461 8.962 0.873 -3.640 285 HD1 TRP 461 HD1 TRP 461 12.724 2.725 -5.008 286 HE1 TRP 461 HE1 TRP 461 12.718 4.948 -3.692 287 HE3 TRP 461 HE3 TRP 461 9.588 1.403 -1.195 288 HZ2 TRP 461 HZ2 TRP 461 11.535 5.978 -1.345 289 HZ3 TRP 461 HZ3 TRP 461 9.070 3.061 0.532 290 HH2 TRP 461 HH2 TRP 461 10.025 5.302 0.460 291 HB2 TRP 461 HB2 TRP 461 11.250 0.024 -2.965 292 HB3 TRP 461 HB1 TRP 461 11.787 0.359 -4.609 293 H GLU 462 HN GLU 462 7.819 2.016 -5.101 294 HA GLU 462 HA GLU 462 8.451 1.872 -7.909 295 HB2 GLU 462 HB2 GLU 462 6.119 2.015 -6.824 296 HB3 GLU 462 HB1 GLU 462 6.439 3.736 -6.671 297 HG2 GLU 462 HG2 GLU 462 6.702 3.916 -9.078 298 HG3 GLU 462 HG1 GLU 462 6.429 2.182 -9.251 299 H GLY 463 HN GLY 463 10.654 2.830 -6.823 300 HA2 GLY 463 HA2 GLY 463 12.197 4.525 -6.882 301 HA3 GLY 463 HA1 GLY 463 11.245 5.124 -8.228 302 H GLY 464 HN GLY 464 10.022 4.903 -4.943 303 HA2 GLY 464 HA2 GLY 464 10.663 7.281 -3.819 304 HA3 GLY 464 HA1 GLY 464 9.407 7.725 -4.967 305 H THR 465 HN THR 465 7.810 5.435 -4.765 306 HA THR 465 HA THR 465 6.857 5.693 -1.998 307 HB THR 465 HB THR 465 5.310 6.714 -3.610 308 HG1 THR 465 HG1 THR 465 4.462 5.647 -1.737 309 HG21 THR 465 HG21 THR 465 4.532 4.095 -4.768 310 HG22 THR 465 HG22 THR 465 6.004 4.844 -5.388 311 HG23 THR 465 HG23 THR 465 4.469 5.711 -5.472 312 H CYS 466 HN CYS 466 6.501 3.916 -0.837 313 HA CYS 466 HA CYS 466 7.267 1.339 -1.946 314 HB2 CYS 466 HB2 CYS 466 7.970 1.995 0.357 315 HB3 CYS 466 HB1 CYS 466 6.273 2.018 0.832 316 H LYS 467 HN LYS 467 5.851 -0.324 -2.345 317 HA LYS 467 HA LYS 467 3.020 0.157 -1.822 318 HB2 LYS 467 HB2 LYS 467 2.452 -0.210 -4.184 319 HB3 LYS 467 HB1 LYS 467 3.431 1.230 -3.955 320 HG2 LYS 467 HG2 LYS 467 5.417 -0.321 -4.520 321 HG3 LYS 467 HG1 LYS 467 4.175 -1.376 -5.197 322 HD2 LYS 467 HD2 LYS 467 4.322 1.522 -5.922 323 HD3 LYS 467 HD1 LYS 467 5.325 0.328 -6.742 324 HE2 LYS 467 HE2 LYS 467 3.382 0.665 -8.059 325 HE3 LYS 467 HE1 LYS 467 3.232 -0.917 -7.300 326 HZ1 LYS 467 HZ1 LYS 467 1.926 1.563 -6.318 327 HZ2 LYS 467 HZ2 LYS 467 1.701 -0.005 -5.708 328 HZ3 LYS 467 HZ3 LYS 467 1.163 0.381 -7.267 329 H ASP 468 HN ASP 468 1.735 -1.619 -1.922 330 HA ASP 468 HA ASP 468 3.096 -4.122 -1.434 331 HB2 ASP 468 HB2 ASP 468 0.207 -3.258 -1.193 332 HB3 ASP 468 HB1 ASP 468 0.741 -4.911 -0.897 Start of MODEL 24 1 H1 GLY 421 HT1 GLY 421 -11.311 -20.655 29.061 2 H2 GLY 421 HT2 GLY 421 -10.256 -19.327 29.131 3 H3 GLY 421 HT3 GLY 421 -9.646 -20.904 29.237 4 HA2 GLY 421 HA1 GLY 421 -9.808 -21.307 27.029 5 HA3 GLY 421 HA2 GLY 421 -11.194 -20.242 26.859 6 H THR 422 HN THR 422 -7.969 -19.635 28.233 7 HA THR 422 HA THR 422 -7.768 -17.174 26.760 8 HB THR 422 HB THR 422 -6.799 -17.522 29.074 9 HG1 THR 422 HG1 THR 422 -6.178 -15.794 27.625 10 HG21 THR 422 HG21 THR 422 -4.226 -18.387 28.429 11 HG22 THR 422 HG22 THR 422 -5.302 -19.547 27.649 12 HG23 THR 422 HG23 THR 422 -5.429 -19.257 29.385 13 H LYS 423 HN LYS 423 -6.476 -16.729 25.009 14 HA LYS 423 HA LYS 423 -5.777 -19.042 23.407 15 HB2 LYS 423 HB2 LYS 423 -5.820 -16.091 22.777 16 HB3 LYS 423 HB1 LYS 423 -5.353 -17.332 21.621 17 HG2 LYS 423 HG2 LYS 423 -8.044 -17.018 22.943 18 HG3 LYS 423 HG1 LYS 423 -7.645 -16.710 21.250 19 HD2 LYS 423 HD2 LYS 423 -7.061 -19.086 20.976 20 HD3 LYS 423 HD1 LYS 423 -7.513 -19.378 22.656 21 HE2 LYS 423 HE2 LYS 423 -9.328 -20.042 21.234 22 HE3 LYS 423 HE1 LYS 423 -9.801 -18.593 22.123 23 HZ1 LYS 423 HZ1 LYS 423 -8.677 -17.660 19.806 24 HZ2 LYS 423 HZ2 LYS 423 -10.332 -17.740 20.164 25 HZ3 LYS 423 HZ3 LYS 423 -9.588 -19.003 19.310 26 H ALA 424 HN ALA 424 -4.074 -19.612 24.931 27 HA ALA 424 HA ALA 424 -1.873 -19.983 25.343 28 HB1 ALA 424 HB1 ALA 424 -0.159 -19.194 23.903 29 HB2 ALA 424 HB2 ALA 424 -1.172 -17.879 23.308 30 HB3 ALA 424 HB3 ALA 424 -1.559 -19.547 22.890 31 H SER 425 HN SER 425 -2.415 -16.509 24.790 32 HA SER 425 HA SER 425 -1.938 -15.973 27.571 33 HG SER 425 HG SER 425 0.112 -16.976 27.032 34 HB2 SER 425 HB2 SER 425 -0.062 -14.817 25.491 35 HB3 SER 425 HB1 SER 425 -0.149 -14.290 27.172 36 H LYS 426 HN LYS 426 -3.671 -14.825 27.972 37 HA LYS 426 HA LYS 426 -5.371 -13.344 27.826 38 HB2 LYS 426 HB2 LYS 426 -3.273 -11.746 26.349 39 HB3 LYS 426 HB1 LYS 426 -4.833 -11.097 26.839 40 HG2 LYS 426 HG2 LYS 426 -4.287 -11.537 29.177 41 HG3 LYS 426 HG1 LYS 426 -2.722 -12.189 28.688 42 HD2 LYS 426 HD2 LYS 426 -2.089 -10.026 27.766 43 HD3 LYS 426 HD1 LYS 426 -3.673 -9.369 28.188 44 HE2 LYS 426 HE2 LYS 426 -3.217 -9.692 30.542 45 HE3 LYS 426 HE1 LYS 426 -1.679 -10.468 30.166 46 HZ1 LYS 426 HZ1 LYS 426 -0.766 -8.459 29.429 47 HZ2 LYS 426 HZ2 LYS 426 -1.602 -8.044 30.846 48 HZ3 LYS 426 HZ3 LYS 426 -2.274 -7.689 29.330 49 H SER 427 HN SER 427 -5.673 -11.460 25.476 50 HA SER 427 HA SER 427 -7.196 -13.285 23.837 51 HG SER 427 HG SER 427 -5.883 -10.070 23.994 52 HB2 SER 427 HB2 SER 427 -7.750 -11.046 22.633 53 HB3 SER 427 HB1 SER 427 -8.386 -11.329 24.254 54 H GLY 428 HN GLY 428 -4.898 -14.238 23.327 55 HA2 GLY 428 HA2 GLY 428 -3.233 -12.914 21.470 56 HA3 GLY 428 HA1 GLY 428 -3.290 -14.651 21.738 57 H VAL 429 HN VAL 429 -3.504 -12.456 19.406 58 HA VAL 429 HA VAL 429 -4.398 -12.316 17.326 59 HB VAL 429 HB VAL 429 -5.004 -15.269 17.572 60 HG11 VAL 429 HG11 VAL 429 -4.746 -13.349 15.287 61 HG12 VAL 429 HG12 VAL 429 -6.003 -14.546 15.604 62 HG13 VAL 429 HG13 VAL 429 -4.410 -15.065 15.052 63 HG21 VAL 429 HG21 VAL 429 -2.798 -15.510 17.909 64 HG22 VAL 429 HG22 VAL 429 -2.445 -13.851 17.424 65 HG23 VAL 429 HG23 VAL 429 -2.648 -15.104 16.199 66 HA PRO 430 HA PRO 430 -8.643 -12.180 19.256 67 HB2 PRO 430 HB2 PRO 430 -8.559 -9.379 18.371 68 HB3 PRO 430 HB1 PRO 430 -8.914 -10.040 19.968 69 HG2 PRO 430 HG2 PRO 430 -6.626 -8.725 19.436 70 HG3 PRO 430 HG1 PRO 430 -6.701 -10.062 20.600 71 HD2 PRO 430 HD2 PRO 430 -5.691 -10.049 17.784 72 HD3 PRO 430 HD1 PRO 430 -5.048 -10.890 19.210 73 H VAL 431 HN VAL 431 -10.152 -12.964 17.967 74 HA VAL 431 HA VAL 431 -10.152 -12.580 15.141 75 HB VAL 431 HB VAL 431 -11.011 -14.653 16.103 76 HG11 VAL 431 HG11 VAL 431 -13.384 -13.127 17.135 77 HG12 VAL 431 HG12 VAL 431 -12.000 -13.540 18.143 78 HG13 VAL 431 HG13 VAL 431 -12.967 -14.817 17.410 79 HG21 VAL 431 HG21 VAL 431 -11.958 -14.539 14.062 80 HG22 VAL 431 HG22 VAL 431 -12.661 -12.948 14.355 81 HG23 VAL 431 HG23 VAL 431 -13.444 -14.390 15.004 82 H THR 432 HN THR 432 -11.083 -11.039 13.974 83 HA THR 432 HA THR 432 -13.142 -9.341 15.207 84 HB THR 432 HB THR 432 -11.969 -7.362 14.109 85 HG1 THR 432 HG1 THR 432 -10.341 -7.986 12.894 86 HG21 THR 432 HG21 THR 432 -11.937 -7.594 16.503 87 HG22 THR 432 HG22 THR 432 -10.326 -7.117 15.965 88 HG23 THR 432 HG23 THR 432 -10.647 -8.793 16.413 89 H GLN 433 HN GLN 433 -13.766 -11.305 13.501 90 HA GLN 433 HA GLN 433 -15.032 -11.729 11.662 91 HB2 GLN 433 HB2 GLN 433 -14.648 -8.820 10.932 92 HB3 GLN 433 HB1 GLN 433 -15.763 -9.937 10.161 93 HG2 GLN 433 HG2 GLN 433 -15.882 -9.050 13.033 94 HG3 GLN 433 HG1 GLN 433 -16.884 -8.429 11.724 95 HE21 GLN 433 HE21 GLN 433 -18.793 -9.312 11.506 96 HE22 GLN 433 HE22 GLN 433 -19.273 -10.869 12.093 97 H THR 434 HN THR 434 -14.556 -12.597 9.711 98 HA THR 434 HA THR 434 -13.176 -13.577 8.202 99 HB THR 434 HB THR 434 -11.869 -12.079 6.716 100 HG1 THR 434 HG1 THR 434 -12.132 -10.377 8.820 101 HG21 THR 434 HG21 THR 434 -14.711 -11.347 7.369 102 HG22 THR 434 HG22 THR 434 -14.119 -12.409 6.091 103 HG23 THR 434 HG23 THR 434 -13.849 -10.666 5.988 104 H GLN 435 HN GLN 435 -12.311 -14.029 10.636 105 HA GLN 435 HA GLN 435 -10.547 -14.737 11.865 106 HB2 GLN 435 HB2 GLN 435 -9.420 -15.534 9.873 107 HB3 GLN 435 HB1 GLN 435 -8.896 -13.907 9.468 108 HG2 GLN 435 HG2 GLN 435 -7.130 -15.365 10.444 109 HG3 GLN 435 HG1 GLN 435 -7.391 -13.847 11.301 110 HE21 GLN 435 HE21 GLN 435 -7.422 -14.010 13.402 111 HE22 GLN 435 HE22 GLN 435 -7.916 -15.387 14.327 112 H THR 436 HN THR 436 -8.898 -12.067 10.227 113 HA THR 436 HA THR 436 -9.633 -10.016 11.894 114 HB THR 436 HB THR 436 -8.557 -11.311 13.723 115 HG1 THR 436 HG1 THR 436 -8.618 -9.028 13.837 116 HG21 THR 436 HG21 THR 436 -5.817 -10.722 13.106 117 HG22 THR 436 HG22 THR 436 -6.512 -11.734 11.841 118 HG23 THR 436 HG23 THR 436 -6.557 -12.268 13.522 119 H ALA 437 HN ALA 437 -8.985 -8.174 10.979 120 HA ALA 437 HA ALA 437 -8.065 -6.764 9.464 121 HB1 ALA 437 HB1 ALA 437 -5.555 -7.207 8.943 122 HB2 ALA 437 HB2 ALA 437 -5.683 -8.393 10.242 123 HB3 ALA 437 HB3 ALA 437 -6.031 -6.694 10.563 124 H GLY 438 HN GLY 438 -5.794 -7.955 7.667 125 HA2 GLY 438 HA2 GLY 438 -7.083 -9.936 6.074 126 HA3 GLY 438 HA1 GLY 438 -7.238 -8.333 5.358 127 H ALA 439 HN ALA 439 -5.621 -10.958 4.884 128 HA ALA 439 HA ALA 439 -3.615 -11.559 4.013 129 HB1 ALA 439 HB1 ALA 439 -2.584 -10.083 2.509 130 HB2 ALA 439 HB2 ALA 439 -3.114 -8.662 3.407 131 HB3 ALA 439 HB3 ALA 439 -4.285 -9.619 2.499 132 H ASP 440 HN ASP 440 -3.366 -11.708 6.538 133 HA ASP 440 HA ASP 440 -1.736 -9.911 7.920 134 HB2 ASP 440 HB2 ASP 440 -1.368 -11.694 9.545 135 HB3 ASP 440 HB1 ASP 440 -3.053 -11.662 9.044 136 H THR 441 HN THR 441 0.234 -9.331 7.579 137 HA THR 441 HA THR 441 2.529 -10.764 7.462 138 HB THR 441 HB THR 441 1.638 -11.873 5.403 139 HG1 THR 441 HG1 THR 441 3.581 -11.392 4.111 140 HG21 THR 441 HG21 THR 441 1.888 -10.396 3.286 141 HG22 THR 441 HG22 THR 441 1.623 -9.055 4.398 142 HG23 THR 441 HG23 THR 441 0.397 -10.313 4.223 143 H THR 442 HN THR 442 0.663 -8.097 6.297 144 HA THR 442 HA THR 442 2.597 -6.216 7.226 145 HB THR 442 HB THR 442 3.622 -6.486 5.076 146 HG1 THR 442 HG1 THR 442 3.144 -4.269 5.856 147 HG21 THR 442 HG21 THR 442 2.548 -7.040 3.202 148 HG22 THR 442 HG22 THR 442 1.454 -5.663 3.343 149 HG23 THR 442 HG23 THR 442 1.084 -7.173 4.176 150 H ALA 443 HN ALA 443 1.600 -4.385 7.856 151 HA ALA 443 HA ALA 443 -1.163 -4.445 8.170 152 HB1 ALA 443 HB1 ALA 443 -0.967 -2.367 9.281 153 HB2 ALA 443 HB2 ALA 443 0.521 -1.967 8.419 154 HB3 ALA 443 HB3 ALA 443 0.515 -3.262 9.617 155 H GLU 444 HN GLU 444 0.706 -2.113 6.184 156 HA GLU 444 HA GLU 444 -1.761 -1.662 4.699 157 HB2 GLU 444 HB2 GLU 444 -1.179 0.620 4.404 158 HB3 GLU 444 HB1 GLU 444 -0.881 0.252 6.094 159 HG2 GLU 444 HG2 GLU 444 1.233 0.360 3.950 160 HG3 GLU 444 HG1 GLU 444 0.855 1.667 5.066 161 H LYS 445 HN LYS 445 0.612 -3.460 4.335 162 HA LYS 445 HA LYS 445 1.731 -4.447 2.654 163 HB2 LYS 445 HB2 LYS 445 -0.361 -2.946 1.180 164 HB3 LYS 445 HB1 LYS 445 1.008 -3.546 0.252 165 HG2 LYS 445 HG2 LYS 445 0.560 -5.807 1.004 166 HG3 LYS 445 HG1 LYS 445 -0.769 -5.228 2.009 167 HD2 LYS 445 HD2 LYS 445 -0.686 -4.797 -0.963 168 HD3 LYS 445 HD1 LYS 445 -1.382 -6.247 -0.238 169 HE2 LYS 445 HE2 LYS 445 -2.232 -3.443 0.456 170 HE3 LYS 445 HE1 LYS 445 -3.025 -4.430 -0.771 171 HZ1 LYS 445 HZ1 LYS 445 -3.049 -6.106 1.292 172 HZ2 LYS 445 HZ2 LYS 445 -4.302 -5.013 0.972 173 HZ3 LYS 445 HZ3 LYS 445 -3.127 -4.633 2.132 174 H CYS 446 HN CYS 446 2.556 -2.100 3.992 175 HA CYS 446 HA CYS 446 4.416 -0.832 4.092 176 HB2 CYS 446 HB2 CYS 446 4.991 -2.017 1.381 177 HB3 CYS 446 HB1 CYS 446 6.098 -1.068 2.340 178 H LYS 447 HN LYS 447 1.872 -0.170 2.447 179 HA LYS 447 HA LYS 447 2.497 1.588 0.410 180 HB2 LYS 447 HB2 LYS 447 0.231 0.821 0.752 181 HB3 LYS 447 HB1 LYS 447 0.146 1.641 2.306 182 HG2 LYS 447 HG2 LYS 447 0.385 3.791 1.169 183 HG3 LYS 447 HG1 LYS 447 0.422 2.955 -0.380 184 HD2 LYS 447 HD2 LYS 447 -1.873 2.859 1.575 185 HD3 LYS 447 HD1 LYS 447 -1.799 3.911 0.160 186 HE2 LYS 447 HE2 LYS 447 -1.560 1.880 -1.256 187 HE3 LYS 447 HE1 LYS 447 -1.815 0.897 0.185 188 HZ1 LYS 447 HZ1 LYS 447 -3.738 2.856 -0.949 189 HZ2 LYS 447 HZ2 LYS 447 -3.988 1.938 0.456 190 HZ3 LYS 447 HZ3 LYS 447 -3.862 1.167 -1.050 191 H GLY 448 HN GLY 448 3.608 3.368 0.382 192 HA2 GLY 448 HA2 GLY 448 4.501 5.398 0.952 193 HA3 GLY 448 HA1 GLY 448 2.965 5.659 1.756 194 H LYS 449 HN LYS 449 5.644 3.438 2.551 195 HA LYS 449 HA LYS 449 5.531 4.463 5.265 196 HB2 LYS 449 HB2 LYS 449 7.054 2.588 5.826 197 HB3 LYS 449 HB1 LYS 449 5.543 2.084 5.091 198 HG2 LYS 449 HG2 LYS 449 6.560 1.438 3.117 199 HG3 LYS 449 HG1 LYS 449 8.004 2.403 3.432 200 HD2 LYS 449 HD2 LYS 449 8.272 -0.084 3.729 201 HD3 LYS 449 HD1 LYS 449 8.755 0.905 5.107 202 HE2 LYS 449 HE2 LYS 449 6.424 0.473 6.035 203 HE3 LYS 449 HE1 LYS 449 6.269 -0.759 4.782 204 HZ1 LYS 449 HZ1 LYS 449 7.027 -1.885 6.672 205 HZ2 LYS 449 HZ2 LYS 449 8.171 -0.689 7.048 206 HZ3 LYS 449 HZ3 LYS 449 8.413 -1.702 5.710 207 H GLY 450 HN GLY 450 7.884 4.239 2.628 208 HA2 GLY 450 HA2 GLY 450 9.333 6.280 2.478 209 HA3 GLY 450 HA1 GLY 450 9.641 6.033 4.189 210 H GLU 451 HN GLU 451 11.549 6.130 2.002 211 HA GLU 451 HA GLU 451 12.359 3.547 1.231 212 HB2 GLU 451 HB2 GLU 451 12.959 5.731 0.121 213 HB3 GLU 451 HB1 GLU 451 14.117 5.999 1.417 214 HG2 GLU 451 HG2 GLU 451 14.278 3.460 -0.118 215 HG3 GLU 451 HG1 GLU 451 14.811 4.946 -0.897 216 H LYS 452 HN LYS 452 13.165 5.524 4.010 217 HA LYS 452 HA LYS 452 15.258 3.754 4.935 218 HB2 LYS 452 HB2 LYS 452 13.838 6.017 6.351 219 HB3 LYS 452 HB1 LYS 452 15.271 5.184 6.939 220 HG2 LYS 452 HG2 LYS 452 16.509 5.982 4.965 221 HG3 LYS 452 HG1 LYS 452 15.073 6.871 4.452 222 HD2 LYS 452 HD2 LYS 452 16.532 7.272 7.064 223 HD3 LYS 452 HD1 LYS 452 16.699 8.297 5.638 224 HE2 LYS 452 HE2 LYS 452 14.365 8.923 5.771 225 HE3 LYS 452 HE1 LYS 452 14.116 7.810 7.116 226 HZ1 LYS 452 HZ1 LYS 452 16.159 9.900 7.377 227 HZ2 LYS 452 HZ2 LYS 452 15.196 9.176 8.570 228 HZ3 LYS 452 HZ3 LYS 452 14.531 10.339 7.531 229 H ASP 453 HN ASP 453 12.852 2.466 4.410 230 HA ASP 453 HA ASP 453 12.426 1.040 6.853 231 HB2 ASP 453 HB2 ASP 453 10.942 3.029 7.177 232 HB3 ASP 453 HB1 ASP 453 10.094 2.595 5.698 233 H CYS 454 HN CYS 454 11.197 1.836 3.649 234 HA CYS 454 HA CYS 454 9.839 -0.547 3.141 235 HB2 CYS 454 HB2 CYS 454 9.482 1.492 1.843 236 HB3 CYS 454 HB1 CYS 454 11.106 1.374 1.178 237 H LYS 455 HN LYS 455 10.617 -2.459 3.126 238 HA LYS 455 HA LYS 455 12.203 -3.302 1.045 239 HB2 LYS 455 HB2 LYS 455 14.015 -4.459 2.389 240 HB3 LYS 455 HB1 LYS 455 14.229 -2.755 2.017 241 HG2 LYS 455 HG2 LYS 455 14.903 -2.857 4.223 242 HG3 LYS 455 HG1 LYS 455 13.215 -2.374 4.384 243 HD2 LYS 455 HD2 LYS 455 13.867 -4.149 5.973 244 HD3 LYS 455 HD1 LYS 455 12.568 -4.647 4.890 245 HE2 LYS 455 HE2 LYS 455 14.258 -6.411 5.194 246 HE3 LYS 455 HE1 LYS 455 14.140 -5.879 3.519 247 HZ1 LYS 455 HZ1 LYS 455 16.447 -6.184 4.611 248 HZ2 LYS 455 HZ2 LYS 455 16.149 -4.662 5.295 249 HZ3 LYS 455 HZ3 LYS 455 16.175 -4.844 3.606 250 H SER 456 HN SER 456 11.911 -5.306 0.620 251 HA SER 456 HA SER 456 11.374 -7.475 2.217 252 HG SER 456 HG SER 456 8.472 -8.284 2.692 253 HB2 SER 456 HB2 SER 456 9.421 -6.464 3.129 254 HB3 SER 456 HB1 SER 456 8.932 -5.833 1.560 255 HA PRO 457 HA PRO 457 11.441 -8.990 -2.002 256 HB2 PRO 457 HB2 PRO 457 10.832 -11.580 -1.541 257 HB3 PRO 457 HB1 PRO 457 12.425 -10.914 -1.170 258 HG2 PRO 457 HG2 PRO 457 10.139 -11.494 0.659 259 HG3 PRO 457 HG1 PRO 457 11.875 -11.726 0.927 260 HD2 PRO 457 HD2 PRO 457 10.421 -9.606 1.907 261 HD3 PRO 457 HD1 PRO 457 12.172 -9.571 1.621 262 H ASP 458 HN ASP 458 8.971 -8.242 -0.121 263 HA ASP 458 HA ASP 458 6.888 -9.249 -1.955 264 HB2 ASP 458 HB2 ASP 458 6.847 -8.608 0.988 265 HB3 ASP 458 HB1 ASP 458 5.377 -8.621 0.040 266 H CYS 459 HN CYS 459 7.787 -6.535 0.170 267 HA CYS 459 HA CYS 459 6.047 -4.725 -1.280 268 HB2 CYS 459 HB2 CYS 459 8.033 -4.128 0.932 269 HB3 CYS 459 HB1 CYS 459 6.818 -3.022 0.293 270 H LYS 460 HN LYS 460 6.621 -3.354 -2.854 271 HA LYS 460 HA LYS 460 9.463 -3.309 -3.616 272 HB2 LYS 460 HB2 LYS 460 6.985 -3.029 -5.320 273 HB3 LYS 460 HB1 LYS 460 8.617 -2.758 -5.914 274 HG2 LYS 460 HG2 LYS 460 7.517 -5.348 -4.834 275 HG3 LYS 460 HG1 LYS 460 7.843 -4.966 -6.526 276 HD2 LYS 460 HD2 LYS 460 10.239 -4.616 -5.892 277 HD3 LYS 460 HD1 LYS 460 9.841 -5.237 -4.289 278 HE2 LYS 460 HE2 LYS 460 10.737 -7.048 -5.545 279 HE3 LYS 460 HE1 LYS 460 9.000 -7.317 -5.400 280 HZ1 LYS 460 HZ1 LYS 460 8.669 -6.586 -7.627 281 HZ2 LYS 460 HZ2 LYS 460 9.923 -7.718 -7.660 282 HZ3 LYS 460 HZ3 LYS 460 10.276 -6.064 -7.775 283 H TRP 461 HN TRP 461 10.465 -1.403 -4.083 284 HA TRP 461 HA TRP 461 9.163 1.026 -3.137 285 HD1 TRP 461 HD1 TRP 461 12.910 2.983 -4.729 286 HE1 TRP 461 HE1 TRP 461 12.707 5.344 -3.718 287 HE3 TRP 461 HE3 TRP 461 9.545 1.990 -1.019 288 HZ2 TRP 461 HZ2 TRP 461 11.300 6.609 -1.618 289 HZ3 TRP 461 HZ3 TRP 461 8.830 3.821 0.443 290 HH2 TRP 461 HH2 TRP 461 9.689 6.084 0.149 291 HB2 TRP 461 HB2 TRP 461 11.524 0.478 -2.498 292 HB3 TRP 461 HB1 TRP 461 11.982 0.668 -4.186 293 H GLU 462 HN GLU 462 8.164 2.380 -4.475 294 HA GLU 462 HA GLU 462 8.561 2.013 -7.352 295 HB2 GLU 462 HB2 GLU 462 6.281 1.778 -6.231 296 HB3 GLU 462 HB1 GLU 462 6.323 3.521 -6.012 297 HG2 GLU 462 HG2 GLU 462 5.041 3.043 -7.961 298 HG3 GLU 462 HG1 GLU 462 6.566 3.766 -8.471 299 H GLY 463 HN GLY 463 10.640 3.347 -6.530 300 HA2 GLY 463 HA2 GLY 463 11.824 5.241 -7.104 301 HA3 GLY 463 HA1 GLY 463 10.344 5.923 -7.752 302 H GLY 464 HN GLY 464 8.695 6.169 -5.664 303 HA2 GLY 464 HA2 GLY 464 10.136 7.378 -3.432 304 HA3 GLY 464 HA1 GLY 464 9.173 8.464 -4.425 305 H THR 465 HN THR 465 8.326 5.149 -3.710 306 HA THR 465 HA THR 465 6.701 5.652 -1.473 307 HB THR 465 HB THR 465 5.249 6.836 -3.054 308 HG1 THR 465 HG1 THR 465 3.654 6.026 -1.951 309 HG21 THR 465 HG21 THR 465 5.944 4.725 -4.814 310 HG22 THR 465 HG22 THR 465 4.960 6.151 -5.147 311 HG23 THR 465 HG23 THR 465 4.196 4.669 -4.570 312 H CYS 466 HN CYS 466 6.280 3.768 -0.488 313 HA CYS 466 HA CYS 466 7.206 1.354 -1.822 314 HB2 CYS 466 HB2 CYS 466 7.886 2.079 0.548 315 HB3 CYS 466 HB1 CYS 466 6.267 1.596 1.031 316 H LYS 467 HN LYS 467 5.940 -0.439 -2.254 317 HA LYS 467 HA LYS 467 3.314 -0.765 -1.211 318 HB2 LYS 467 HB2 LYS 467 2.102 -0.542 -3.389 319 HB3 LYS 467 HB1 LYS 467 2.673 0.977 -2.716 320 HG2 LYS 467 HG2 LYS 467 4.520 1.019 -4.274 321 HG3 LYS 467 HG1 LYS 467 4.055 -0.564 -4.903 322 HD2 LYS 467 HD2 LYS 467 3.294 1.229 -6.377 323 HD3 LYS 467 HD1 LYS 467 1.928 0.362 -5.674 324 HE2 LYS 467 HE2 LYS 467 1.747 2.156 -3.962 325 HE3 LYS 467 HE1 LYS 467 3.021 3.036 -4.807 326 HZ1 LYS 467 HZ1 LYS 467 0.248 2.916 -5.381 327 HZ2 LYS 467 HZ2 LYS 467 1.140 2.391 -6.723 328 HZ3 LYS 467 HZ3 LYS 467 1.435 3.920 -6.059 329 H ASP 468 HN ASP 468 2.645 -2.798 -1.404 330 HA ASP 468 HA ASP 468 4.332 -4.710 -2.797 331 HB2 ASP 468 HB2 ASP 468 3.554 -5.279 -0.549 332 HB3 ASP 468 HB1 ASP 468 1.881 -5.079 -1.051 Start of MODEL 25 1 H1 GLY 421 HT1 GLY 421 -41.908 4.354 6.618 2 H2 GLY 421 HT2 GLY 421 -42.307 3.730 5.094 3 H3 GLY 421 HT3 GLY 421 -41.387 5.152 5.216 4 HA2 GLY 421 HA1 GLY 421 -40.576 2.367 5.596 5 HA3 GLY 421 HA2 GLY 421 -39.729 3.675 4.781 6 H THR 422 HN THR 422 -39.387 1.688 7.237 7 HA THR 422 HA THR 422 -38.662 3.578 9.302 8 HB THR 422 HB THR 422 -39.683 1.427 9.925 9 HG1 THR 422 HG1 THR 422 -36.982 1.534 10.848 10 HG21 THR 422 HG21 THR 422 -37.883 -0.534 9.872 11 HG22 THR 422 HG22 THR 422 -37.374 0.329 8.420 12 HG23 THR 422 HG23 THR 422 -39.028 -0.271 8.557 13 H LYS 423 HN LYS 423 -37.057 1.559 6.911 14 HA LYS 423 HA LYS 423 -34.420 2.210 7.925 15 HB2 LYS 423 HB2 LYS 423 -35.071 -0.020 6.888 16 HB3 LYS 423 HB1 LYS 423 -35.079 0.809 5.337 17 HG2 LYS 423 HG2 LYS 423 -32.679 1.505 5.926 18 HG3 LYS 423 HG1 LYS 423 -32.771 0.239 7.152 19 HD2 LYS 423 HD2 LYS 423 -31.771 -0.632 5.124 20 HD3 LYS 423 HD1 LYS 423 -33.338 -1.391 5.401 21 HE2 LYS 423 HE2 LYS 423 -32.993 -0.774 3.041 22 HE3 LYS 423 HE1 LYS 423 -34.372 0.058 3.760 23 HZ1 LYS 423 HZ1 LYS 423 -32.809 1.972 4.151 24 HZ2 LYS 423 HZ2 LYS 423 -33.181 1.664 2.530 25 HZ3 LYS 423 HZ3 LYS 423 -31.689 1.175 3.162 26 H ALA 424 HN ALA 424 -35.496 4.564 7.468 27 HA ALA 424 HA ALA 424 -34.673 5.417 4.781 28 HB1 ALA 424 HB1 ALA 424 -35.750 7.611 6.125 29 HB2 ALA 424 HB2 ALA 424 -36.758 6.239 6.585 30 HB3 ALA 424 HB3 ALA 424 -36.526 6.633 4.882 31 H SER 425 HN SER 425 -32.774 6.344 4.510 32 HA SER 425 HA SER 425 -30.785 7.362 4.888 33 HG SER 425 HG SER 425 -29.869 9.083 6.859 34 HB2 SER 425 HB2 SER 425 -32.320 9.270 5.424 35 HB3 SER 425 HB1 SER 425 -32.220 8.818 7.123 36 H LYS 426 HN LYS 426 -31.128 4.854 6.109 37 HA LYS 426 HA LYS 426 -29.956 5.080 8.768 38 HB2 LYS 426 HB2 LYS 426 -30.542 2.578 7.176 39 HB3 LYS 426 HB1 LYS 426 -30.168 2.671 8.892 40 HG2 LYS 426 HG2 LYS 426 -32.607 3.859 7.590 41 HG3 LYS 426 HG1 LYS 426 -32.559 2.313 8.434 42 HD2 LYS 426 HD2 LYS 426 -31.853 4.955 9.702 43 HD3 LYS 426 HD1 LYS 426 -33.443 4.201 9.801 44 HE2 LYS 426 HE2 LYS 426 -32.311 2.186 10.780 45 HE3 LYS 426 HE1 LYS 426 -30.841 3.150 10.879 46 HZ1 LYS 426 HZ1 LYS 426 -33.093 4.492 12.021 47 HZ2 LYS 426 HZ2 LYS 426 -31.574 4.162 12.701 48 HZ3 LYS 426 HZ3 LYS 426 -32.803 2.997 12.766 49 H SER 427 HN SER 427 -29.077 4.319 5.485 50 HA SER 427 HA SER 427 -27.081 4.139 4.427 51 HG SER 427 HG SER 427 -24.001 5.203 5.996 52 HB2 SER 427 HB2 SER 427 -26.304 5.994 5.869 53 HB3 SER 427 HB1 SER 427 -25.831 4.828 7.101 54 H GLY 428 HN GLY 428 -25.610 2.506 3.956 55 HA2 GLY 428 HA2 GLY 428 -26.313 -0.011 4.984 56 HA3 GLY 428 HA1 GLY 428 -24.956 0.311 3.914 57 H VAL 429 HN VAL 429 -23.149 1.622 5.231 58 HA VAL 429 HA VAL 429 -22.813 0.462 7.899 59 HB VAL 429 HB VAL 429 -20.743 0.125 5.710 60 HG11 VAL 429 HG11 VAL 429 -20.533 -1.078 8.439 61 HG12 VAL 429 HG12 VAL 429 -20.012 0.584 8.160 62 HG13 VAL 429 HG13 VAL 429 -19.261 -0.739 7.265 63 HG21 VAL 429 HG21 VAL 429 -22.040 -2.120 7.208 64 HG22 VAL 429 HG22 VAL 429 -21.190 -2.158 5.662 65 HG23 VAL 429 HG23 VAL 429 -22.797 -1.439 5.770 66 HA PRO 430 HA PRO 430 -21.210 4.647 8.351 67 HB2 PRO 430 HB2 PRO 430 -20.737 4.477 11.016 68 HB3 PRO 430 HB1 PRO 430 -22.355 4.742 10.351 69 HG2 PRO 430 HG2 PRO 430 -21.112 2.221 11.375 70 HG3 PRO 430 HG1 PRO 430 -22.766 2.826 11.587 71 HD2 PRO 430 HD2 PRO 430 -22.081 0.904 9.771 72 HD3 PRO 430 HD1 PRO 430 -23.455 2.006 9.559 73 H VAL 431 HN VAL 431 -19.174 5.222 7.918 74 HA VAL 431 HA VAL 431 -17.126 3.343 7.744 75 HB VAL 431 HB VAL 431 -15.594 5.268 7.337 76 HG11 VAL 431 HG11 VAL 431 -17.140 6.198 5.399 77 HG12 VAL 431 HG12 VAL 431 -18.142 4.829 5.882 78 HG13 VAL 431 HG13 VAL 431 -16.478 4.562 5.362 79 HG21 VAL 431 HG21 VAL 431 -17.998 7.055 7.542 80 HG22 VAL 431 HG22 VAL 431 -16.295 7.499 7.426 81 HG23 VAL 431 HG23 VAL 431 -16.925 6.798 8.916 82 H THR 432 HN THR 432 -15.670 2.577 9.090 83 HA THR 432 HA THR 432 -15.574 3.563 11.816 84 HB THR 432 HB THR 432 -13.862 1.571 11.943 85 HG1 THR 432 HG1 THR 432 -14.192 0.025 10.342 86 HG21 THR 432 HG21 THR 432 -15.844 -0.018 12.130 87 HG22 THR 432 HG22 THR 432 -16.848 1.358 11.673 88 HG23 THR 432 HG23 THR 432 -15.879 1.423 13.145 89 H GLN 433 HN GLN 433 -13.425 3.064 9.063 90 HA GLN 433 HA GLN 433 -11.631 5.120 10.138 91 HB2 GLN 433 HB2 GLN 433 -10.730 2.486 8.947 92 HB3 GLN 433 HB1 GLN 433 -9.672 3.805 9.421 93 HG2 GLN 433 HG2 GLN 433 -10.331 3.527 11.740 94 HG3 GLN 433 HG1 GLN 433 -11.441 2.236 11.285 95 HE21 GLN 433 HE21 GLN 433 -8.695 2.128 9.373 96 HE22 GLN 433 HE22 GLN 433 -7.816 0.919 10.254 97 H THR 434 HN THR 434 -9.843 4.318 7.774 98 HA THR 434 HA THR 434 -11.080 6.098 5.872 99 HB THR 434 HB THR 434 -8.494 4.550 5.597 100 HG1 THR 434 HG1 THR 434 -7.798 6.913 6.202 101 HG21 THR 434 HG21 THR 434 -8.093 5.710 3.704 102 HG22 THR 434 HG22 THR 434 -8.780 7.199 4.356 103 HG23 THR 434 HG23 THR 434 -9.839 5.959 3.682 104 H GLN 435 HN GLN 435 -12.149 5.547 4.074 105 HA GLN 435 HA GLN 435 -13.045 2.892 3.708 106 HB2 GLN 435 HB2 GLN 435 -14.185 3.762 1.718 107 HB3 GLN 435 HB1 GLN 435 -14.426 4.799 3.117 108 HG2 GLN 435 HG2 GLN 435 -12.784 6.364 2.284 109 HG3 GLN 435 HG1 GLN 435 -12.433 5.306 0.919 110 HE21 GLN 435 HE21 GLN 435 -15.582 4.866 1.261 111 HE22 GLN 435 HE22 GLN 435 -16.205 6.141 0.269 112 H THR 436 HN THR 436 -12.897 1.621 1.758 113 HA THR 436 HA THR 436 -10.309 0.908 1.103 114 HB THR 436 HB THR 436 -11.501 -0.209 -0.937 115 HG1 THR 436 HG1 THR 436 -13.401 1.068 -0.880 116 HG21 THR 436 HG21 THR 436 -12.798 -1.588 1.072 117 HG22 THR 436 HG22 THR 436 -11.467 -0.793 1.914 118 HG23 THR 436 HG23 THR 436 -11.137 -1.851 0.542 119 H ALA 437 HN ALA 437 -8.880 1.416 -0.457 120 HA ALA 437 HA ALA 437 -9.189 3.914 -1.799 121 HB1 ALA 437 HB1 ALA 437 -7.023 1.834 -1.806 122 HB2 ALA 437 HB2 ALA 437 -7.029 3.407 -1.011 123 HB3 ALA 437 HB3 ALA 437 -6.934 3.309 -2.770 124 H GLY 438 HN GLY 438 -8.948 0.541 -2.909 125 HA2 GLY 438 HA2 GLY 438 -10.752 0.894 -5.034 126 HA3 GLY 438 HA1 GLY 438 -9.121 1.067 -5.666 127 H ALA 439 HN ALA 439 -7.661 -0.766 -4.433 128 HA ALA 439 HA ALA 439 -9.115 -3.311 -4.661 129 HB1 ALA 439 HB1 ALA 439 -7.876 -4.046 -6.357 130 HB2 ALA 439 HB2 ALA 439 -6.387 -3.627 -5.509 131 HB3 ALA 439 HB3 ALA 439 -7.204 -2.421 -6.502 132 H ASP 440 HN ASP 440 -8.932 -4.433 -2.867 133 HA ASP 440 HA ASP 440 -7.296 -3.520 -0.742 134 HB2 ASP 440 HB2 ASP 440 -9.500 -4.533 -0.375 135 HB3 ASP 440 HB1 ASP 440 -8.899 -6.074 -0.976 136 H THR 441 HN THR 441 -5.325 -4.058 -0.136 137 HA THR 441 HA THR 441 -4.197 -6.639 -0.497 138 HB THR 441 HB THR 441 -3.909 -5.969 -2.796 139 HG1 THR 441 HG1 THR 441 -1.958 -6.726 -1.282 140 HG21 THR 441 HG21 THR 441 -4.020 -3.484 -2.281 141 HG22 THR 441 HG22 THR 441 -2.889 -3.978 -3.539 142 HG23 THR 441 HG23 THR 441 -2.297 -3.584 -1.925 143 H THR 442 HN THR 442 -3.011 -6.892 1.248 144 HA THR 442 HA THR 442 -1.558 -6.578 2.955 145 HB THR 442 HB THR 442 -0.761 -4.046 1.506 146 HG1 THR 442 HG1 THR 442 1.050 -5.577 0.903 147 HG21 THR 442 HG21 THR 442 1.095 -3.889 2.867 148 HG22 THR 442 HG22 THR 442 1.049 -5.599 3.305 149 HG23 THR 442 HG23 THR 442 -0.112 -4.475 4.013 150 H ALA 443 HN ALA 443 -2.615 -3.285 2.148 151 HA ALA 443 HA ALA 443 -4.522 -2.963 4.136 152 HB1 ALA 443 HB1 ALA 443 -1.808 -1.903 4.943 153 HB2 ALA 443 HB2 ALA 443 -2.775 -3.101 5.802 154 HB3 ALA 443 HB3 ALA 443 -3.328 -1.430 5.702 155 H GLU 444 HN GLU 444 -1.842 -1.359 2.520 156 HA GLU 444 HA GLU 444 -3.620 0.264 0.980 157 HB2 GLU 444 HB2 GLU 444 -3.297 1.597 3.061 158 HB3 GLU 444 HB1 GLU 444 -1.560 1.565 2.778 159 HG2 GLU 444 HG2 GLU 444 -1.850 2.782 0.720 160 HG3 GLU 444 HG1 GLU 444 -3.599 2.767 0.932 161 H LYS 445 HN LYS 445 -2.094 -1.818 0.290 162 HA LYS 445 HA LYS 445 -0.672 -2.558 -1.290 163 HB2 LYS 445 HB2 LYS 445 -0.117 0.371 -1.578 164 HB3 LYS 445 HB1 LYS 445 0.833 -0.830 -2.440 165 HG2 LYS 445 HG2 LYS 445 -1.196 -1.644 -3.534 166 HG3 LYS 445 HG1 LYS 445 -2.148 -0.448 -2.652 167 HD2 LYS 445 HD2 LYS 445 -0.983 1.356 -3.752 168 HD3 LYS 445 HD1 LYS 445 0.100 0.214 -4.551 169 HE2 LYS 445 HE2 LYS 445 -1.624 0.973 -6.083 170 HE3 LYS 445 HE1 LYS 445 -1.803 -0.748 -5.750 171 HZ1 LYS 445 HZ1 LYS 445 -3.760 1.125 -5.568 172 HZ2 LYS 445 HZ2 LYS 445 -3.311 0.899 -3.949 173 HZ3 LYS 445 HZ3 LYS 445 -3.811 -0.426 -4.885 174 H CYS 446 HN CYS 446 0.698 0.007 0.649 175 HA CYS 446 HA CYS 446 2.062 -1.184 2.550 176 HB2 CYS 446 HB2 CYS 446 3.105 -2.517 0.607 177 HB3 CYS 446 HB1 CYS 446 4.057 -1.077 0.317 178 H LYS 447 HN LYS 447 1.303 1.355 0.800 179 HA LYS 447 HA LYS 447 3.469 3.107 0.869 180 HB2 LYS 447 HB2 LYS 447 1.428 3.444 -0.491 181 HB3 LYS 447 HB1 LYS 447 0.529 3.803 0.978 182 HG2 LYS 447 HG2 LYS 447 2.016 5.728 1.380 183 HG3 LYS 447 HG1 LYS 447 2.825 5.389 -0.152 184 HD2 LYS 447 HD2 LYS 447 1.172 7.154 -0.421 185 HD3 LYS 447 HD1 LYS 447 0.707 5.721 -1.338 186 HE2 LYS 447 HE2 LYS 447 -1.201 6.733 -0.167 187 HE3 LYS 447 HE1 LYS 447 -0.875 5.094 0.392 188 HZ1 LYS 447 HZ1 LYS 447 -0.654 5.849 2.445 189 HZ2 LYS 447 HZ2 LYS 447 -1.049 7.413 1.918 190 HZ3 LYS 447 HZ3 LYS 447 0.575 6.926 1.976 191 H GLY 448 HN GLY 448 4.346 4.359 2.375 192 HA2 GLY 448 HA2 GLY 448 3.586 5.820 4.375 193 HA3 GLY 448 HA1 GLY 448 3.166 4.257 5.064 194 H LYS 449 HN LYS 449 5.301 2.786 4.003 195 HA LYS 449 HA LYS 449 7.312 3.264 5.947 196 HB2 LYS 449 HB2 LYS 449 7.488 1.528 3.475 197 HB3 LYS 449 HB1 LYS 449 8.492 1.404 4.913 198 HG2 LYS 449 HG2 LYS 449 5.524 0.927 4.816 199 HG3 LYS 449 HG1 LYS 449 6.768 -0.324 4.823 200 HD2 LYS 449 HD2 LYS 449 6.574 1.746 6.984 201 HD3 LYS 449 HD1 LYS 449 5.668 0.233 7.053 202 HE2 LYS 449 HE2 LYS 449 7.721 -1.040 6.976 203 HE3 LYS 449 HE1 LYS 449 8.661 0.434 6.754 204 HZ1 LYS 449 HZ1 LYS 449 8.257 -0.724 9.114 205 HZ2 LYS 449 HZ2 LYS 449 6.962 0.370 9.104 206 HZ3 LYS 449 HZ3 LYS 449 8.552 0.934 8.921 207 H GLY 450 HN GLY 450 9.362 4.074 5.744 208 HA2 GLY 450 HA2 GLY 450 9.867 6.017 3.698 209 HA3 GLY 450 HA1 GLY 450 10.991 5.504 4.951 210 H GLU 451 HN GLU 451 11.920 5.966 2.381 211 HA GLU 451 HA GLU 451 11.818 3.932 0.583 212 HB2 GLU 451 HB2 GLU 451 14.009 4.830 -0.183 213 HB3 GLU 451 HB1 GLU 451 12.735 6.008 -0.051 214 HG2 GLU 451 HG2 GLU 451 14.770 5.614 2.109 215 HG3 GLU 451 HG1 GLU 451 15.096 6.625 0.708 216 H LYS 452 HN LYS 452 14.420 4.384 2.977 217 HA LYS 452 HA LYS 452 15.590 1.838 2.434 218 HB2 LYS 452 HB2 LYS 452 15.994 3.902 4.577 219 HB3 LYS 452 HB1 LYS 452 16.739 2.317 4.721 220 HG2 LYS 452 HG2 LYS 452 18.371 3.712 3.780 221 HG3 LYS 452 HG1 LYS 452 17.759 2.732 2.449 222 HD2 LYS 452 HD2 LYS 452 16.282 4.610 1.800 223 HD3 LYS 452 HD1 LYS 452 17.013 5.586 3.076 224 HE2 LYS 452 HE2 LYS 452 18.447 4.378 0.714 225 HE3 LYS 452 HE1 LYS 452 18.014 6.075 0.903 226 HZ1 LYS 452 HZ1 LYS 452 20.005 4.517 2.448 227 HZ2 LYS 452 HZ2 LYS 452 19.417 6.017 2.984 228 HZ3 LYS 452 HZ3 LYS 452 20.258 5.912 1.515 229 H ASP 453 HN ASP 453 13.322 3.078 4.798 230 HA ASP 453 HA ASP 453 13.290 0.866 6.529 231 HB2 ASP 453 HB2 ASP 453 12.332 3.196 6.928 232 HB3 ASP 453 HB1 ASP 453 10.929 2.673 6.002 233 H CYS 454 HN CYS 454 11.566 1.536 3.563 234 HA CYS 454 HA CYS 454 9.665 -0.516 3.558 235 HB2 CYS 454 HB2 CYS 454 9.792 1.371 1.923 236 HB3 CYS 454 HB1 CYS 454 11.222 0.631 1.223 237 H LYS 455 HN LYS 455 10.012 -2.649 3.765 238 HA LYS 455 HA LYS 455 12.640 -3.757 3.229 239 HB2 LYS 455 HB2 LYS 455 10.149 -5.180 4.179 240 HB3 LYS 455 HB1 LYS 455 11.793 -5.802 4.224 241 HG2 LYS 455 HG2 LYS 455 12.354 -3.872 5.747 242 HG3 LYS 455 HG1 LYS 455 10.619 -3.567 5.850 243 HD2 LYS 455 HD2 LYS 455 11.030 -4.905 7.705 244 HD3 LYS 455 HD1 LYS 455 10.449 -6.051 6.495 245 HE2 LYS 455 HE2 LYS 455 12.383 -6.951 7.658 246 HE3 LYS 455 HE1 LYS 455 12.756 -6.661 5.960 247 HZ1 LYS 455 HZ1 LYS 455 14.438 -5.382 6.576 248 HZ2 LYS 455 HZ2 LYS 455 14.091 -5.680 8.209 249 HZ3 LYS 455 HZ3 LYS 455 13.391 -4.351 7.424 250 H SER 456 HN SER 456 13.219 -4.829 1.480 251 HA SER 456 HA SER 456 11.735 -4.598 -0.838 252 HG SER 456 HG SER 456 14.732 -4.811 0.486 253 HB2 SER 456 HB2 SER 456 13.944 -6.621 -0.543 254 HB3 SER 456 HB1 SER 456 13.532 -5.640 -1.950 255 HA PRO 457 HA PRO 457 10.864 -9.411 -0.844 256 HB2 PRO 457 HB2 PRO 457 10.813 -9.899 2.087 257 HB3 PRO 457 HB1 PRO 457 11.391 -10.943 0.783 258 HG2 PRO 457 HG2 PRO 457 13.117 -9.693 2.373 259 HG3 PRO 457 HG1 PRO 457 13.434 -9.848 0.636 260 HD2 PRO 457 HD2 PRO 457 12.457 -7.480 2.181 261 HD3 PRO 457 HD1 PRO 457 13.616 -7.550 0.838 262 H ASP 458 HN ASP 458 9.845 -7.342 1.796 263 HA ASP 458 HA ASP 458 7.147 -8.292 1.853 264 HB2 ASP 458 HB2 ASP 458 8.625 -6.012 3.140 265 HB3 ASP 458 HB1 ASP 458 6.882 -6.165 3.284 266 H CYS 459 HN CYS 459 8.772 -5.325 0.701 267 HA CYS 459 HA CYS 459 6.616 -4.886 -1.224 268 HB2 CYS 459 HB2 CYS 459 7.394 -2.738 0.761 269 HB3 CYS 459 HB1 CYS 459 6.102 -2.666 -0.437 270 H LYS 460 HN LYS 460 7.347 -3.856 -3.046 271 HA LYS 460 HA LYS 460 10.190 -3.231 -3.155 272 HB2 LYS 460 HB2 LYS 460 9.038 -4.556 -4.970 273 HB3 LYS 460 HB1 LYS 460 8.180 -3.083 -5.403 274 HG2 LYS 460 HG2 LYS 460 10.313 -1.979 -5.863 275 HG3 LYS 460 HG1 LYS 460 11.167 -3.462 -5.439 276 HD2 LYS 460 HD2 LYS 460 9.977 -4.631 -7.251 277 HD3 LYS 460 HD1 LYS 460 9.200 -3.110 -7.692 278 HE2 LYS 460 HE2 LYS 460 11.067 -3.476 -9.156 279 HE3 LYS 460 HE1 LYS 460 11.436 -2.129 -8.080 280 HZ1 LYS 460 HZ1 LYS 460 13.165 -4.015 -8.506 281 HZ2 LYS 460 HZ2 LYS 460 12.290 -4.829 -7.304 282 HZ3 LYS 460 HZ3 LYS 460 13.008 -3.330 -6.964 283 H TRP 461 HN TRP 461 11.015 -1.209 -3.535 284 HA TRP 461 HA TRP 461 9.241 1.022 -2.923 285 HD1 TRP 461 HD1 TRP 461 12.714 3.535 -3.949 286 HE1 TRP 461 HE1 TRP 461 12.042 5.805 -2.928 287 HE3 TRP 461 HE3 TRP 461 9.366 1.888 -0.464 288 HZ2 TRP 461 HZ2 TRP 461 10.326 6.748 -0.889 289 HZ3 TRP 461 HZ3 TRP 461 8.266 3.531 0.981 290 HH2 TRP 461 HH2 TRP 461 8.731 5.916 0.775 291 HB2 TRP 461 HB2 TRP 461 11.500 0.755 -1.830 292 HB3 TRP 461 HB1 TRP 461 12.232 1.063 -3.403 293 H GLU 462 HN GLU 462 8.272 2.088 -4.547 294 HA GLU 462 HA GLU 462 9.786 2.693 -6.957 295 HB2 GLU 462 HB2 GLU 462 7.325 0.978 -6.924 296 HB3 GLU 462 HB1 GLU 462 7.669 2.000 -8.312 297 HG2 GLU 462 HG2 GLU 462 9.846 0.886 -8.567 298 HG3 GLU 462 HG1 GLU 462 9.446 -0.166 -7.210 299 H GLY 463 HN GLY 463 9.362 4.636 -7.714 300 HA2 GLY 463 HA2 GLY 463 8.469 6.735 -7.900 301 HA3 GLY 463 HA1 GLY 463 6.898 5.964 -7.732 302 H GLY 464 HN GLY 464 9.504 6.016 -5.354 303 HA2 GLY 464 HA2 GLY 464 9.583 6.835 -3.213 304 HA3 GLY 464 HA1 GLY 464 8.528 8.129 -3.765 305 H THR 465 HN THR 465 7.805 4.679 -3.752 306 HA THR 465 HA THR 465 5.981 4.979 -1.517 307 HB THR 465 HB THR 465 5.057 4.188 -4.261 308 HG1 THR 465 HG1 THR 465 5.254 6.571 -3.130 309 HG21 THR 465 HG21 THR 465 4.075 3.042 -2.139 310 HG22 THR 465 HG22 THR 465 2.993 3.631 -3.402 311 HG23 THR 465 HG23 THR 465 3.239 4.581 -1.937 312 H CYS 466 HN CYS 466 5.955 3.207 -0.319 313 HA CYS 466 HA CYS 466 7.327 0.799 -1.160 314 HB2 CYS 466 HB2 CYS 466 7.206 1.876 1.224 315 HB3 CYS 466 HB1 CYS 466 5.637 1.105 1.316 316 H LYS 467 HN LYS 467 6.293 -0.897 -2.170 317 HA LYS 467 HA LYS 467 3.527 -1.504 -1.648 318 HB2 LYS 467 HB2 LYS 467 2.680 -1.029 -3.892 319 HB3 LYS 467 HB1 LYS 467 3.260 0.440 -3.120 320 HG2 LYS 467 HG2 LYS 467 5.313 0.334 -4.412 321 HG3 LYS 467 HG1 LYS 467 4.782 -1.177 -5.154 322 HD2 LYS 467 HD2 LYS 467 2.816 0.029 -6.072 323 HD3 LYS 467 HD1 LYS 467 3.479 1.532 -5.429 324 HE2 LYS 467 HE2 LYS 467 4.035 1.332 -7.770 325 HE3 LYS 467 HE1 LYS 467 5.501 1.187 -6.802 326 HZ1 LYS 467 HZ1 LYS 467 5.722 -0.524 -8.305 327 HZ2 LYS 467 HZ2 LYS 467 4.064 -0.888 -8.316 328 HZ3 LYS 467 HZ3 LYS 467 5.018 -1.335 -6.989 329 H ASP 468 HN ASP 468 2.831 -3.447 -2.570 330 HA ASP 468 HA ASP 468 4.917 -5.280 -3.323 331 HB2 ASP 468 HB2 ASP 468 2.970 -6.015 -1.978 332 HB3 ASP 468 HB1 ASP 468 1.912 -5.664 -3.341 Start of MODEL 26 1 H1 GLY 421 HT1 GLY 421 -49.394 -0.679 -2.901 2 H2 GLY 421 HT2 GLY 421 -48.105 -1.781 -2.853 3 H3 GLY 421 HT3 GLY 421 -48.470 -0.963 -4.292 4 HA2 GLY 421 HA1 GLY 421 -47.924 1.159 -3.204 5 HA3 GLY 421 HA2 GLY 421 -47.432 0.244 -1.786 6 H THR 422 HN THR 422 -46.079 1.972 -4.007 7 HA THR 422 HA THR 422 -43.718 0.250 -4.172 8 HB THR 422 HB THR 422 -43.551 1.370 -6.619 9 HG1 THR 422 HG1 THR 422 -45.684 2.271 -6.438 10 HG21 THR 422 HG21 THR 422 -43.194 -0.964 -6.278 11 HG22 THR 422 HG22 THR 422 -44.446 -0.800 -7.509 12 HG23 THR 422 HG23 THR 422 -44.887 -1.223 -5.855 13 H LYS 423 HN LYS 423 -44.214 2.450 -2.489 14 HA LYS 423 HA LYS 423 -42.966 4.789 -3.615 15 HB2 LYS 423 HB2 LYS 423 -43.752 4.099 -0.785 16 HB3 LYS 423 HB1 LYS 423 -43.095 5.653 -1.280 17 HG2 LYS 423 HG2 LYS 423 -45.656 4.433 -2.277 18 HG3 LYS 423 HG1 LYS 423 -45.517 5.724 -1.082 19 HD2 LYS 423 HD2 LYS 423 -44.415 7.136 -2.774 20 HD3 LYS 423 HD1 LYS 423 -44.634 5.851 -3.965 21 HE2 LYS 423 HE2 LYS 423 -46.364 7.568 -4.171 22 HE3 LYS 423 HE1 LYS 423 -47.055 6.013 -3.710 23 HZ1 LYS 423 HZ1 LYS 423 -47.733 8.210 -2.490 24 HZ2 LYS 423 HZ2 LYS 423 -46.330 7.902 -1.588 25 HZ3 LYS 423 HZ3 LYS 423 -47.580 6.756 -1.635 26 H ALA 424 HN ALA 424 -41.198 2.904 -4.111 27 HA ALA 424 HA ALA 424 -38.878 3.798 -2.709 28 HB1 ALA 424 HB1 ALA 424 -38.176 1.438 -2.040 29 HB2 ALA 424 HB2 ALA 424 -39.881 1.013 -2.184 30 HB3 ALA 424 HB3 ALA 424 -39.371 2.240 -1.023 31 H SER 425 HN SER 425 -37.352 3.915 -4.179 32 HA SER 425 HA SER 425 -36.685 1.811 -5.958 33 HG SER 425 HG SER 425 -38.590 4.670 -6.190 34 HB2 SER 425 HB2 SER 425 -37.151 3.136 -8.076 35 HB3 SER 425 HB1 SER 425 -38.569 2.469 -7.275 36 H LYS 426 HN LYS 426 -34.604 2.016 -6.538 37 HA LYS 426 HA LYS 426 -33.162 4.327 -5.576 38 HB2 LYS 426 HB2 LYS 426 -32.194 1.804 -6.932 39 HB3 LYS 426 HB1 LYS 426 -31.154 3.030 -6.219 40 HG2 LYS 426 HG2 LYS 426 -32.158 2.594 -4.027 41 HG3 LYS 426 HG1 LYS 426 -33.171 1.345 -4.751 42 HD2 LYS 426 HD2 LYS 426 -31.214 0.050 -5.343 43 HD3 LYS 426 HD1 LYS 426 -30.153 1.332 -4.751 44 HE2 LYS 426 HE2 LYS 426 -32.107 -0.255 -3.087 45 HE3 LYS 426 HE1 LYS 426 -30.361 -0.496 -3.131 46 HZ1 LYS 426 HZ1 LYS 426 -30.004 1.617 -2.151 47 HZ2 LYS 426 HZ2 LYS 426 -31.204 0.853 -1.224 48 HZ3 LYS 426 HZ3 LYS 426 -31.630 2.062 -2.330 49 H SER 427 HN SER 427 -34.826 5.077 -7.655 50 HA SER 427 HA SER 427 -33.182 5.248 -10.050 51 HG SER 427 HG SER 427 -35.880 5.843 -11.968 52 HB2 SER 427 HB2 SER 427 -35.713 4.847 -10.059 53 HB3 SER 427 HB1 SER 427 -35.871 6.544 -9.611 54 H GLY 428 HN GLY 428 -31.867 6.886 -10.446 55 HA2 GLY 428 HA2 GLY 428 -30.966 8.996 -10.462 56 HA3 GLY 428 HA1 GLY 428 -32.474 9.592 -9.786 57 H VAL 429 HN VAL 429 -30.339 7.165 -8.367 58 HA VAL 429 HA VAL 429 -29.996 8.939 -6.047 59 HB VAL 429 HB VAL 429 -29.493 5.965 -6.275 60 HG11 VAL 429 HG11 VAL 429 -29.426 6.154 -3.739 61 HG12 VAL 429 HG12 VAL 429 -29.211 7.886 -3.983 62 HG13 VAL 429 HG13 VAL 429 -28.021 6.750 -4.622 63 HG21 VAL 429 HG21 VAL 429 -31.914 7.236 -6.110 64 HG22 VAL 429 HG22 VAL 429 -31.547 6.890 -4.422 65 HG23 VAL 429 HG23 VAL 429 -31.589 5.580 -5.603 66 HA PRO 430 HA PRO 430 -25.873 9.563 -7.754 67 HB2 PRO 430 HB2 PRO 430 -25.531 11.308 -5.419 68 HB3 PRO 430 HB1 PRO 430 -25.460 11.709 -7.136 69 HG2 PRO 430 HG2 PRO 430 -27.494 12.508 -5.558 70 HG3 PRO 430 HG1 PRO 430 -27.725 12.109 -7.273 71 HD2 PRO 430 HD2 PRO 430 -28.336 10.468 -4.841 72 HD3 PRO 430 HD1 PRO 430 -29.280 10.670 -6.332 73 H VAL 431 HN VAL 431 -24.227 8.224 -7.382 74 HA VAL 431 HA VAL 431 -23.945 6.928 -4.804 75 HB VAL 431 HB VAL 431 -22.236 6.645 -7.288 76 HG11 VAL 431 HG11 VAL 431 -22.320 5.185 -4.672 77 HG12 VAL 431 HG12 VAL 431 -20.930 5.829 -5.543 78 HG13 VAL 431 HG13 VAL 431 -21.752 4.389 -6.139 79 HG21 VAL 431 HG21 VAL 431 -24.811 5.989 -7.224 80 HG22 VAL 431 HG22 VAL 431 -24.160 4.548 -6.440 81 HG23 VAL 431 HG23 VAL 431 -23.613 4.998 -8.055 82 H THR 432 HN THR 432 -22.674 7.636 -3.222 83 HA THR 432 HA THR 432 -21.041 9.965 -3.560 84 HB THR 432 HB THR 432 -21.160 8.130 -1.160 85 HG1 THR 432 HG1 THR 432 -22.967 10.045 -2.161 86 HG21 THR 432 HG21 THR 432 -20.657 11.102 -1.273 87 HG22 THR 432 HG22 THR 432 -19.366 9.899 -1.274 88 HG23 THR 432 HG23 THR 432 -20.455 10.019 0.106 89 H GLN 433 HN GLN 433 -20.462 6.538 -2.910 90 HA GLN 433 HA GLN 433 -18.052 6.547 -4.410 91 HB2 GLN 433 HB2 GLN 433 -17.132 7.517 -2.357 92 HB3 GLN 433 HB1 GLN 433 -17.794 6.187 -1.416 93 HG2 GLN 433 HG2 GLN 433 -16.322 4.624 -2.467 94 HG3 GLN 433 HG1 GLN 433 -15.762 5.847 -3.607 95 HE21 GLN 433 HE21 GLN 433 -14.927 4.217 -0.911 96 HE22 GLN 433 HE22 GLN 433 -13.830 5.353 -0.202 97 H THR 434 HN THR 434 -18.169 4.690 -5.423 98 HA THR 434 HA THR 434 -19.897 2.598 -4.616 99 HB THR 434 HB THR 434 -17.674 2.473 -6.665 100 HG1 THR 434 HG1 THR 434 -19.107 4.241 -7.052 101 HG21 THR 434 HG21 THR 434 -20.274 0.944 -6.494 102 HG22 THR 434 HG22 THR 434 -18.695 0.302 -6.047 103 HG23 THR 434 HG23 THR 434 -19.020 0.754 -7.718 104 H GLN 435 HN GLN 435 -16.365 2.561 -5.071 105 HA GLN 435 HA GLN 435 -15.699 1.500 -2.602 106 HB2 GLN 435 HB2 GLN 435 -15.060 -0.869 -3.385 107 HB3 GLN 435 HB1 GLN 435 -16.745 -0.563 -3.000 108 HG2 GLN 435 HG2 GLN 435 -16.941 -1.750 -4.938 109 HG3 GLN 435 HG1 GLN 435 -16.963 -0.100 -5.549 110 HE21 GLN 435 HE21 GLN 435 -14.000 -1.505 -4.422 111 HE22 GLN 435 HE22 GLN 435 -13.265 -1.685 -5.978 112 H THR 436 HN THR 436 -13.567 1.724 -2.327 113 HA THR 436 HA THR 436 -11.983 2.429 -4.674 114 HB THR 436 HB THR 436 -10.262 3.056 -2.877 115 HG1 THR 436 HG1 THR 436 -10.803 2.423 -0.934 116 HG21 THR 436 HG21 THR 436 -12.830 4.579 -2.574 117 HG22 THR 436 HG22 THR 436 -11.952 4.576 -4.104 118 HG23 THR 436 HG23 THR 436 -11.178 5.192 -2.645 119 H ALA 437 HN ALA 437 -11.971 0.182 -1.958 120 HA ALA 437 HA ALA 437 -10.903 -1.766 -1.535 121 HB1 ALA 437 HB1 ALA 437 -11.571 -3.182 -3.095 122 HB2 ALA 437 HB2 ALA 437 -10.227 -2.688 -4.123 123 HB3 ALA 437 HB3 ALA 437 -11.774 -1.850 -4.233 124 H GLY 438 HN GLY 438 -9.254 0.541 -1.522 125 HA2 GLY 438 HA2 GLY 438 -7.030 1.077 -1.358 126 HA3 GLY 438 HA1 GLY 438 -6.736 -0.656 -1.336 127 H ALA 439 HN ALA 439 -7.831 1.713 -3.760 128 HA ALA 439 HA ALA 439 -7.167 2.170 -5.873 129 HB1 ALA 439 HB1 ALA 439 -4.851 1.799 -6.539 130 HB2 ALA 439 HB2 ALA 439 -4.589 0.803 -5.108 131 HB3 ALA 439 HB3 ALA 439 -4.943 2.522 -4.934 132 H ASP 440 HN ASP 440 -8.906 0.344 -5.857 133 HA ASP 440 HA ASP 440 -9.876 -1.253 -7.119 134 HB2 ASP 440 HB2 ASP 440 -7.236 -1.294 -8.561 135 HB3 ASP 440 HB1 ASP 440 -8.581 -2.345 -8.996 136 H THR 441 HN THR 441 -6.552 -2.310 -6.512 137 HA THR 441 HA THR 441 -7.373 -4.281 -4.642 138 HB THR 441 HB THR 441 -8.140 -5.453 -6.667 139 HG1 THR 441 HG1 THR 441 -5.844 -6.528 -5.361 140 HG21 THR 441 HG21 THR 441 -5.387 -5.919 -7.652 141 HG22 THR 441 HG22 THR 441 -6.079 -4.328 -7.977 142 HG23 THR 441 HG23 THR 441 -6.904 -5.781 -8.543 143 H THR 442 HN THR 442 -5.400 -2.126 -5.070 144 HA THR 442 HA THR 442 -2.824 -3.406 -5.139 145 HB THR 442 HB THR 442 -3.639 -0.614 -4.310 146 HG1 THR 442 HG1 THR 442 -3.485 -1.647 -6.665 147 HG21 THR 442 HG21 THR 442 -1.179 -2.017 -3.820 148 HG22 THR 442 HG22 THR 442 -1.620 -0.365 -3.383 149 HG23 THR 442 HG23 THR 442 -0.898 -0.701 -4.959 150 H ALA 443 HN ALA 443 -4.934 -2.010 -2.647 151 HA ALA 443 HA ALA 443 -4.964 -2.185 -0.379 152 HB1 ALA 443 HB1 ALA 443 -3.517 -4.795 -0.844 153 HB2 ALA 443 HB2 ALA 443 -5.267 -4.585 -0.810 154 HB3 ALA 443 HB3 ALA 443 -4.317 -4.303 0.648 155 H GLU 444 HN GLU 444 -3.288 -0.450 -1.165 156 HA GLU 444 HA GLU 444 -0.545 -0.913 -0.786 157 HB2 GLU 444 HB2 GLU 444 -0.363 1.580 -0.957 158 HB3 GLU 444 HB1 GLU 444 -1.254 0.822 -2.267 159 HG2 GLU 444 HG2 GLU 444 -3.363 1.435 -1.127 160 HG3 GLU 444 HG1 GLU 444 -2.414 2.295 0.083 161 H LYS 445 HN LYS 445 -1.263 -1.963 1.430 162 HA LYS 445 HA LYS 445 -1.526 -0.307 3.716 163 HB2 LYS 445 HB2 LYS 445 -0.324 -3.078 3.559 164 HB3 LYS 445 HB1 LYS 445 -0.998 -2.306 4.988 165 HG2 LYS 445 HG2 LYS 445 -3.206 -2.403 4.083 166 HG3 LYS 445 HG1 LYS 445 -2.595 -2.958 2.522 167 HD2 LYS 445 HD2 LYS 445 -1.754 -5.007 3.632 168 HD3 LYS 445 HD1 LYS 445 -2.477 -4.451 5.144 169 HE2 LYS 445 HE2 LYS 445 -4.681 -4.462 4.092 170 HE3 LYS 445 HE1 LYS 445 -3.958 -5.011 2.579 171 HZ1 LYS 445 HZ1 LYS 445 -3.782 -6.527 5.128 172 HZ2 LYS 445 HZ2 LYS 445 -3.348 -7.063 3.578 173 HZ3 LYS 445 HZ3 LYS 445 -4.978 -6.791 3.954 174 H CYS 446 HN CYS 446 1.204 -1.575 1.930 175 HA CYS 446 HA CYS 446 3.158 -0.854 3.881 176 HB2 CYS 446 HB2 CYS 446 3.382 -2.680 2.133 177 HB3 CYS 446 HB1 CYS 446 3.658 -1.397 0.958 178 H LYS 447 HN LYS 447 1.475 0.862 1.465 179 HA LYS 447 HA LYS 447 3.330 2.665 0.527 180 HB2 LYS 447 HB2 LYS 447 0.793 2.396 -0.019 181 HB3 LYS 447 HB1 LYS 447 0.573 3.608 1.233 182 HG2 LYS 447 HG2 LYS 447 2.302 4.982 -0.106 183 HG3 LYS 447 HG1 LYS 447 1.925 3.871 -1.423 184 HD2 LYS 447 HD2 LYS 447 -0.529 4.448 -0.943 185 HD3 LYS 447 HD1 LYS 447 0.113 5.810 -0.023 186 HE2 LYS 447 HE2 LYS 447 -0.301 6.680 -2.157 187 HE3 LYS 447 HE1 LYS 447 1.437 6.384 -2.130 188 HZ1 LYS 447 HZ1 LYS 447 0.212 5.635 -4.183 189 HZ2 LYS 447 HZ2 LYS 447 -0.500 4.425 -3.227 190 HZ3 LYS 447 HZ3 LYS 447 1.180 4.456 -3.442 191 H GLY 448 HN GLY 448 4.528 4.180 1.391 192 HA2 GLY 448 HA2 GLY 448 5.059 6.039 2.623 193 HA3 GLY 448 HA1 GLY 448 3.502 5.917 3.412 194 H LYS 449 HN LYS 449 5.749 3.192 3.492 195 HA LYS 449 HA LYS 449 6.084 3.659 6.374 196 HB2 LYS 449 HB2 LYS 449 7.279 1.430 4.713 197 HB3 LYS 449 HB1 LYS 449 7.225 1.522 6.466 198 HG2 LYS 449 HG2 LYS 449 4.833 1.284 6.453 199 HG3 LYS 449 HG1 LYS 449 4.813 1.332 4.690 200 HD2 LYS 449 HD2 LYS 449 4.694 -0.932 5.106 201 HD3 LYS 449 HD1 LYS 449 6.422 -0.696 4.876 202 HE2 LYS 449 HE2 LYS 449 6.729 -0.605 7.300 203 HE3 LYS 449 HE1 LYS 449 4.996 -0.838 7.531 204 HZ1 LYS 449 HZ1 LYS 449 7.046 -2.768 7.002 205 HZ2 LYS 449 HZ2 LYS 449 5.745 -2.919 5.926 206 HZ3 LYS 449 HZ3 LYS 449 5.475 -3.000 7.597 207 H GLY 450 HN GLY 450 7.716 4.041 3.381 208 HA2 GLY 450 HA2 GLY 450 9.508 5.586 3.056 209 HA3 GLY 450 HA1 GLY 450 9.967 5.349 4.729 210 H GLU 451 HN GLU 451 11.409 5.055 2.083 211 HA GLU 451 HA GLU 451 11.767 2.553 1.197 212 HB2 GLU 451 HB2 GLU 451 12.878 4.509 0.249 213 HB3 GLU 451 HB1 GLU 451 13.999 4.539 1.605 214 HG2 GLU 451 HG2 GLU 451 14.876 2.368 0.941 215 HG3 GLU 451 HG1 GLU 451 13.729 2.309 -0.398 216 H LYS 452 HN LYS 452 13.473 3.817 4.062 217 HA LYS 452 HA LYS 452 15.131 1.608 4.506 218 HB2 LYS 452 HB2 LYS 452 13.875 3.539 6.457 219 HB3 LYS 452 HB1 LYS 452 15.090 2.353 6.915 220 HG2 LYS 452 HG2 LYS 452 16.736 3.390 5.556 221 HG3 LYS 452 HG1 LYS 452 15.534 4.432 4.791 222 HD2 LYS 452 HD2 LYS 452 16.827 5.657 6.450 223 HD3 LYS 452 HD1 LYS 452 15.133 5.547 6.926 224 HE2 LYS 452 HE2 LYS 452 15.721 3.646 8.404 225 HE3 LYS 452 HE1 LYS 452 17.415 3.876 7.974 226 HZ1 LYS 452 HZ1 LYS 452 15.872 6.139 9.058 227 HZ2 LYS 452 HZ2 LYS 452 17.537 5.840 9.131 228 HZ3 LYS 452 HZ3 LYS 452 16.482 4.957 10.110 229 H ASP 453 HN ASP 453 11.829 2.220 5.598 230 HA ASP 453 HA ASP 453 11.641 -0.312 6.980 231 HB2 ASP 453 HB2 ASP 453 10.486 1.869 7.642 232 HB3 ASP 453 HB1 ASP 453 9.380 1.574 6.301 233 H CYS 454 HN CYS 454 10.314 1.168 4.073 234 HA CYS 454 HA CYS 454 8.952 -1.086 3.049 235 HB2 CYS 454 HB2 CYS 454 9.978 1.481 1.840 236 HB3 CYS 454 HB1 CYS 454 8.911 0.369 1.036 237 H LYS 455 HN LYS 455 11.032 -2.417 3.549 238 HA LYS 455 HA LYS 455 13.310 -2.191 1.891 239 HB2 LYS 455 HB2 LYS 455 12.265 -4.698 3.224 240 HB3 LYS 455 HB1 LYS 455 13.928 -4.360 2.749 241 HG2 LYS 455 HG2 LYS 455 14.065 -2.588 4.401 242 HG3 LYS 455 HG1 LYS 455 12.378 -2.857 4.849 243 HD2 LYS 455 HD2 LYS 455 12.988 -5.184 5.489 244 HD3 LYS 455 HD1 LYS 455 14.680 -4.773 5.190 245 HE2 LYS 455 HE2 LYS 455 12.843 -3.478 7.201 246 HE3 LYS 455 HE1 LYS 455 14.184 -4.568 7.552 247 HZ1 LYS 455 HZ1 LYS 455 14.922 -2.359 7.921 248 HZ2 LYS 455 HZ2 LYS 455 14.353 -1.827 6.418 249 HZ3 LYS 455 HZ3 LYS 455 15.671 -2.895 6.496 250 H SER 456 HN SER 456 13.881 -3.333 0.024 251 HA SER 456 HA SER 456 11.879 -3.582 -1.869 252 HG SER 456 HG SER 456 13.911 -2.302 -1.837 253 HB2 SER 456 HB2 SER 456 14.608 -4.878 -1.953 254 HB3 SER 456 HB1 SER 456 13.579 -4.521 -3.341 255 HA PRO 457 HA PRO 457 12.021 -8.434 -1.403 256 HB2 PRO 457 HB2 PRO 457 12.606 -9.294 1.134 257 HB3 PRO 457 HB1 PRO 457 13.783 -9.242 -0.181 258 HG2 PRO 457 HG2 PRO 457 13.337 -7.284 2.039 259 HG3 PRO 457 HG1 PRO 457 14.861 -7.896 1.368 260 HD2 PRO 457 HD2 PRO 457 13.903 -5.479 0.709 261 HD3 PRO 457 HD1 PRO 457 14.764 -6.494 -0.468 262 H ASP 458 HN ASP 458 11.283 -6.321 1.296 263 HA ASP 458 HA ASP 458 8.969 -7.806 2.136 264 HB2 ASP 458 HB2 ASP 458 10.470 -6.445 3.653 265 HB3 ASP 458 HB1 ASP 458 9.773 -4.999 2.934 266 H CYS 459 HN CYS 459 9.598 -4.829 0.328 267 HA CYS 459 HA CYS 459 6.859 -4.877 -0.705 268 HB2 CYS 459 HB2 CYS 459 8.137 -2.570 0.772 269 HB3 CYS 459 HB1 CYS 459 6.729 -2.377 -0.275 270 H LYS 460 HN LYS 460 6.657 -3.982 -2.750 271 HA LYS 460 HA LYS 460 9.107 -3.739 -4.239 272 HB2 LYS 460 HB2 LYS 460 6.241 -3.311 -5.090 273 HB3 LYS 460 HB1 LYS 460 7.623 -3.370 -6.176 274 HG2 LYS 460 HG2 LYS 460 6.666 -5.623 -4.425 275 HG3 LYS 460 HG1 LYS 460 6.388 -5.469 -6.159 276 HD2 LYS 460 HD2 LYS 460 8.824 -5.508 -6.529 277 HD3 LYS 460 HD1 LYS 460 9.065 -5.743 -4.796 278 HE2 LYS 460 HE2 LYS 460 7.788 -7.831 -4.909 279 HE3 LYS 460 HE1 LYS 460 7.565 -7.597 -6.642 280 HZ1 LYS 460 HZ1 LYS 460 10.049 -8.233 -5.173 281 HZ2 LYS 460 HZ2 LYS 460 10.105 -7.537 -6.718 282 HZ3 LYS 460 HZ3 LYS 460 9.356 -9.040 -6.495 283 H TRP 461 HN TRP 461 10.210 -1.956 -4.616 284 HA TRP 461 HA TRP 461 9.021 0.619 -3.898 285 HD1 TRP 461 HD1 TRP 461 12.649 2.664 -4.982 286 HE1 TRP 461 HE1 TRP 461 12.419 4.809 -3.557 287 HE3 TRP 461 HE3 TRP 461 9.497 0.898 -1.383 288 HZ2 TRP 461 HZ2 TRP 461 11.059 5.613 -1.208 289 HZ3 TRP 461 HZ3 TRP 461 8.774 2.406 0.408 290 HH2 TRP 461 HH2 TRP 461 9.538 4.721 0.489 291 HB2 TRP 461 HB2 TRP 461 11.364 -0.246 -3.125 292 HB3 TRP 461 HB1 TRP 461 11.878 0.225 -4.743 293 H GLU 462 HN GLU 462 8.087 1.719 -5.484 294 HA GLU 462 HA GLU 462 8.797 1.151 -8.236 295 HB2 GLU 462 HB2 GLU 462 6.652 2.896 -7.023 296 HB3 GLU 462 HB1 GLU 462 6.884 2.691 -8.756 297 HG2 GLU 462 HG2 GLU 462 6.295 0.461 -6.826 298 HG3 GLU 462 HG1 GLU 462 5.099 1.271 -7.839 299 H GLY 463 HN GLY 463 8.714 3.969 -6.108 300 HA2 GLY 463 HA2 GLY 463 11.066 5.144 -7.016 301 HA3 GLY 463 HA1 GLY 463 9.758 5.775 -8.012 302 H GLY 464 HN GLY 464 10.506 5.151 -4.603 303 HA2 GLY 464 HA2 GLY 464 10.307 6.611 -2.791 304 HA3 GLY 464 HA1 GLY 464 9.650 7.829 -3.877 305 H THR 465 HN THR 465 8.555 4.507 -3.508 306 HA THR 465 HA THR 465 6.401 5.100 -1.781 307 HB THR 465 HB THR 465 5.531 6.203 -3.839 308 HG1 THR 465 HG1 THR 465 4.211 4.973 -2.193 309 HG21 THR 465 HG21 THR 465 6.595 4.083 -5.201 310 HG22 THR 465 HG22 THR 465 5.409 5.215 -5.852 311 HG23 THR 465 HG23 THR 465 4.878 3.677 -5.171 312 H CYS 466 HN CYS 466 5.638 3.268 -0.896 313 HA CYS 466 HA CYS 466 6.772 0.769 -1.869 314 HB2 CYS 466 HB2 CYS 466 5.423 0.624 0.697 315 HB3 CYS 466 HB1 CYS 466 7.096 0.301 0.276 316 H LYS 467 HN LYS 467 5.557 -0.994 -2.414 317 HA LYS 467 HA LYS 467 2.884 -1.412 -1.639 318 HB2 LYS 467 HB2 LYS 467 1.639 -0.975 -3.601 319 HB3 LYS 467 HB1 LYS 467 2.592 0.471 -3.315 320 HG2 LYS 467 HG2 LYS 467 4.168 -0.183 -5.028 321 HG3 LYS 467 HG1 LYS 467 3.296 -1.696 -5.281 322 HD2 LYS 467 HD2 LYS 467 1.267 -0.274 -5.823 323 HD3 LYS 467 HD1 LYS 467 2.366 1.107 -5.866 324 HE2 LYS 467 HE2 LYS 467 2.113 0.346 -8.105 325 HE3 LYS 467 HE1 LYS 467 3.719 -0.143 -7.568 326 HZ1 LYS 467 HZ1 LYS 467 1.397 -1.973 -7.408 327 HZ2 LYS 467 HZ2 LYS 467 3.048 -2.362 -7.353 328 HZ3 LYS 467 HZ3 LYS 467 2.344 -1.858 -8.809 329 H ASP 468 HN ASP 468 1.888 -3.015 -3.461 330 HA ASP 468 HA ASP 468 3.788 -4.715 -4.747 331 HB2 ASP 468 HB2 ASP 468 4.080 -5.593 -2.485 332 HB3 ASP 468 HB1 ASP 468 2.338 -5.784 -2.310 Start of MODEL 27 1 H1 GLY 421 HT1 GLY 421 12.171 31.588 21.104 2 H2 GLY 421 HT2 GLY 421 12.252 32.066 22.725 3 H3 GLY 421 HT3 GLY 421 13.540 31.207 22.030 4 HA2 GLY 421 HA1 GLY 421 14.184 33.475 22.179 5 HA3 GLY 421 HA2 GLY 421 13.916 33.068 20.490 6 H THR 422 HN THR 422 13.733 35.616 22.135 7 HA THR 422 HA THR 422 11.015 36.416 22.177 8 HB THR 422 HB THR 422 12.092 38.775 22.148 9 HG1 THR 422 HG1 THR 422 14.436 37.271 22.742 10 HG21 THR 422 HG21 THR 422 13.275 37.835 24.499 11 HG22 THR 422 HG22 THR 422 11.930 36.738 24.188 12 HG23 THR 422 HG23 THR 422 11.642 38.473 24.312 13 H LYS 423 HN LYS 423 13.649 36.964 19.857 14 HA LYS 423 HA LYS 423 11.940 38.290 17.952 15 HB2 LYS 423 HB2 LYS 423 14.714 37.127 17.609 16 HB3 LYS 423 HB1 LYS 423 13.892 38.168 16.454 17 HG2 LYS 423 HG2 LYS 423 13.846 39.951 18.182 18 HG3 LYS 423 HG1 LYS 423 14.808 38.903 19.226 19 HD2 LYS 423 HD2 LYS 423 15.625 39.886 16.492 20 HD3 LYS 423 HD1 LYS 423 16.190 40.543 18.028 21 HE2 LYS 423 HE2 LYS 423 17.180 38.377 18.590 22 HE3 LYS 423 HE1 LYS 423 16.615 37.718 17.054 23 HZ1 LYS 423 HZ1 LYS 423 18.598 39.898 17.437 24 HZ2 LYS 423 HZ2 LYS 423 17.985 39.422 15.930 25 HZ3 LYS 423 HZ3 LYS 423 18.906 38.337 16.852 26 H ALA 424 HN ALA 424 10.982 37.441 16.166 27 HA ALA 424 HA ALA 424 10.412 34.645 16.195 28 HB1 ALA 424 HB1 ALA 424 8.549 35.532 15.353 29 HB2 ALA 424 HB2 ALA 424 9.406 35.615 13.814 30 HB3 ALA 424 HB3 ALA 424 9.379 37.016 14.882 31 H SER 425 HN SER 425 12.981 34.483 15.929 32 HA SER 425 HA SER 425 14.051 34.592 13.309 33 HG SER 425 HG SER 425 15.867 34.551 16.483 34 HB2 SER 425 HB2 SER 425 14.944 32.840 15.611 35 HB3 SER 425 HB1 SER 425 15.921 33.371 14.242 36 H LYS 426 HN LYS 426 13.966 33.145 11.665 37 HA LYS 426 HA LYS 426 12.053 31.052 11.801 38 HB2 LYS 426 HB2 LYS 426 12.770 30.538 9.477 39 HB3 LYS 426 HB1 LYS 426 12.342 32.224 9.724 40 HG2 LYS 426 HG2 LYS 426 14.680 32.837 9.807 41 HG3 LYS 426 HG1 LYS 426 15.151 31.144 9.662 42 HD2 LYS 426 HD2 LYS 426 13.597 32.702 7.598 43 HD3 LYS 426 HD1 LYS 426 15.327 32.358 7.524 44 HE2 LYS 426 HE2 LYS 426 14.798 29.937 7.566 45 HE3 LYS 426 HE1 LYS 426 13.084 30.342 7.515 46 HZ1 LYS 426 HZ1 LYS 426 14.651 29.904 5.362 47 HZ2 LYS 426 HZ2 LYS 426 14.628 31.598 5.439 48 HZ3 LYS 426 HZ3 LYS 426 13.172 30.735 5.336 49 H SER 427 HN SER 427 12.282 29.055 12.430 50 HA SER 427 HA SER 427 14.941 27.991 13.000 51 HG SER 427 HG SER 427 14.628 26.293 14.928 52 HB2 SER 427 HB2 SER 427 13.084 27.863 14.677 53 HB3 SER 427 HB1 SER 427 12.196 26.824 13.568 54 H GLY 428 HN GLY 428 13.702 25.214 12.676 55 HA2 GLY 428 HA2 GLY 428 14.465 24.749 9.935 56 HA3 GLY 428 HA1 GLY 428 13.776 23.566 11.046 57 H VAL 429 HN VAL 429 13.206 25.436 8.345 58 HA VAL 429 HA VAL 429 10.555 26.217 8.692 59 HB VAL 429 HB VAL 429 10.430 26.369 6.211 60 HG11 VAL 429 HG11 VAL 429 11.988 28.171 6.025 61 HG12 VAL 429 HG12 VAL 429 12.976 27.520 7.332 62 HG13 VAL 429 HG13 VAL 429 11.366 28.154 7.675 63 HG21 VAL 429 HG21 VAL 429 11.993 24.372 5.883 64 HG22 VAL 429 HG22 VAL 429 13.309 25.515 6.156 65 HG23 VAL 429 HG23 VAL 429 12.200 25.750 4.805 66 HA PRO 430 HA PRO 430 8.412 22.374 8.520 67 HB2 PRO 430 HB2 PRO 430 5.901 23.363 8.231 68 HB3 PRO 430 HB1 PRO 430 6.782 23.416 9.762 69 HG2 PRO 430 HG2 PRO 430 6.414 25.568 7.713 70 HG3 PRO 430 HG1 PRO 430 6.324 25.678 9.481 71 HD2 PRO 430 HD2 PRO 430 8.512 26.446 8.086 72 HD3 PRO 430 HD1 PRO 430 8.611 25.759 9.721 73 H VAL 431 HN VAL 431 7.880 20.982 6.957 74 HA VAL 431 HA VAL 431 8.022 21.726 4.217 75 HB VAL 431 HB VAL 431 7.361 19.396 3.737 76 HG11 VAL 431 HG11 VAL 431 9.248 18.737 5.791 77 HG12 VAL 431 HG12 VAL 431 9.671 20.281 5.053 78 HG13 VAL 431 HG13 VAL 431 9.487 18.844 4.049 79 HG21 VAL 431 HG21 VAL 431 7.313 17.946 5.962 80 HG22 VAL 431 HG22 VAL 431 5.845 18.639 5.272 81 HG23 VAL 431 HG23 VAL 431 6.650 19.439 6.622 82 H THR 432 HN THR 432 6.375 21.762 2.649 83 HA THR 432 HA THR 432 4.010 23.017 3.401 84 HB THR 432 HB THR 432 4.995 23.092 1.106 85 HG1 THR 432 HG1 THR 432 2.822 22.829 0.045 86 HG21 THR 432 HG21 THR 432 4.570 21.335 -0.482 87 HG22 THR 432 HG22 THR 432 3.670 20.407 0.719 88 HG23 THR 432 HG23 THR 432 5.407 20.645 0.907 89 H GLN 433 HN GLN 433 1.969 22.345 3.859 90 HA GLN 433 HA GLN 433 1.647 19.876 5.096 91 HB2 GLN 433 HB2 GLN 433 -0.465 21.776 4.059 92 HB3 GLN 433 HB1 GLN 433 -0.773 20.439 5.161 93 HG2 GLN 433 HG2 GLN 433 0.675 21.463 6.827 94 HG3 GLN 433 HG1 GLN 433 1.026 22.787 5.719 95 HE21 GLN 433 HE21 GLN 433 -0.017 24.554 6.188 96 HE22 GLN 433 HE22 GLN 433 -1.615 24.659 6.861 97 H THR 434 HN THR 434 1.109 17.913 4.428 98 HA THR 434 HA THR 434 -0.046 17.578 1.750 99 HB THR 434 HB THR 434 2.266 15.916 2.776 100 HG1 THR 434 HG1 THR 434 2.443 18.366 2.012 101 HG21 THR 434 HG21 THR 434 0.807 14.808 1.130 102 HG22 THR 434 HG22 THR 434 2.407 15.138 0.465 103 HG23 THR 434 HG23 THR 434 1.041 16.161 0.021 104 H GLN 435 HN GLN 435 -1.501 15.931 1.581 105 HA GLN 435 HA GLN 435 -2.917 15.099 3.762 106 HB2 GLN 435 HB2 GLN 435 -2.631 13.684 1.111 107 HB3 GLN 435 HB1 GLN 435 -3.855 13.294 2.306 108 HG2 GLN 435 HG2 GLN 435 -4.785 15.541 2.087 109 HG3 GLN 435 HG1 GLN 435 -3.556 15.926 0.880 110 HE21 GLN 435 HE21 GLN 435 -4.337 15.871 -1.102 111 HE22 GLN 435 HE22 GLN 435 -5.531 14.761 -1.698 112 H THR 436 HN THR 436 -0.670 13.026 1.945 113 HA THR 436 HA THR 436 0.432 11.760 4.202 114 HB THR 436 HB THR 436 -1.712 10.749 4.557 115 HG1 THR 436 HG1 THR 436 -1.135 8.447 3.958 116 HG21 THR 436 HG21 THR 436 -3.005 10.839 2.678 117 HG22 THR 436 HG22 THR 436 -2.510 9.148 2.602 118 HG23 THR 436 HG23 THR 436 -1.686 10.355 1.613 119 H ALA 437 HN ALA 437 1.973 12.649 2.536 120 HA ALA 437 HA ALA 437 3.586 12.354 0.967 121 HB1 ALA 437 HB1 ALA 437 4.649 10.464 1.439 122 HB2 ALA 437 HB2 ALA 437 3.529 9.592 0.393 123 HB3 ALA 437 HB3 ALA 437 3.174 9.770 2.112 124 H GLY 438 HN GLY 438 3.014 9.740 -0.834 125 HA2 GLY 438 HA2 GLY 438 1.714 11.300 -2.919 126 HA3 GLY 438 HA1 GLY 438 2.451 9.716 -3.105 127 H ALA 439 HN ALA 439 0.055 10.645 -0.704 128 HA ALA 439 HA ALA 439 -2.088 10.042 -0.300 129 HB1 ALA 439 HB1 ALA 439 -3.573 9.861 -2.002 130 HB2 ALA 439 HB2 ALA 439 -2.542 8.781 -2.940 131 HB3 ALA 439 HB3 ALA 439 -2.210 10.512 -2.912 132 H ASP 440 HN ASP 440 -3.060 8.314 0.632 133 HA ASP 440 HA ASP 440 -1.566 5.827 0.638 134 HB2 ASP 440 HB2 ASP 440 -3.789 6.928 2.316 135 HB3 ASP 440 HB1 ASP 440 -3.504 5.191 2.296 136 H THR 441 HN THR 441 -2.659 6.307 -1.825 137 HA THR 441 HA THR 441 -5.117 4.927 -2.259 138 HB THR 441 HB THR 441 -4.139 4.671 -4.627 139 HG1 THR 441 HG1 THR 441 -2.382 6.610 -4.543 140 HG21 THR 441 HG21 THR 441 -4.904 6.769 -5.213 141 HG22 THR 441 HG22 THR 441 -4.171 7.545 -3.808 142 HG23 THR 441 HG23 THR 441 -5.633 6.575 -3.619 143 H THR 442 HN THR 442 -1.721 4.102 -2.245 144 HA THR 442 HA THR 442 -2.048 1.284 -2.683 145 HB THR 442 HB THR 442 0.275 2.634 -1.310 146 HG1 THR 442 HG1 THR 442 -0.404 2.553 -4.073 147 HG21 THR 442 HG21 THR 442 1.519 0.783 -1.892 148 HG22 THR 442 HG22 THR 442 0.494 0.398 -3.275 149 HG23 THR 442 HG23 THR 442 -0.061 0.042 -1.639 150 H ALA 443 HN ALA 443 -2.456 -0.253 -1.163 151 HA ALA 443 HA ALA 443 -3.514 0.414 1.346 152 HB1 ALA 443 HB1 ALA 443 -3.066 -2.099 1.805 153 HB2 ALA 443 HB2 ALA 443 -2.576 -2.143 0.111 154 HB3 ALA 443 HB3 ALA 443 -4.212 -1.645 0.543 155 H GLU 444 HN GLU 444 -2.656 0.470 3.404 156 HA GLU 444 HA GLU 444 0.147 0.985 3.497 157 HB2 GLU 444 HB2 GLU 444 -1.645 0.823 5.896 158 HB3 GLU 444 HB1 GLU 444 -0.157 1.736 5.718 159 HG2 GLU 444 HG2 GLU 444 -1.576 3.451 5.431 160 HG3 GLU 444 HG1 GLU 444 -1.605 2.864 3.770 161 H LYS 445 HN LYS 445 -0.640 -1.704 2.909 162 HA LYS 445 HA LYS 445 0.348 -3.356 5.079 163 HB2 LYS 445 HB2 LYS 445 0.195 -4.027 2.131 164 HB3 LYS 445 HB1 LYS 445 0.341 -5.157 3.469 165 HG2 LYS 445 HG2 LYS 445 -1.901 -4.563 4.228 166 HG3 LYS 445 HG1 LYS 445 -2.049 -3.415 2.895 167 HD2 LYS 445 HD2 LYS 445 -3.170 -5.384 2.200 168 HD3 LYS 445 HD1 LYS 445 -1.632 -5.364 1.336 169 HE2 LYS 445 HE2 LYS 445 -1.975 -7.582 2.116 170 HE3 LYS 445 HE1 LYS 445 -0.719 -6.867 3.125 171 HZ1 LYS 445 HZ1 LYS 445 -2.716 -8.176 4.167 172 HZ2 LYS 445 HZ2 LYS 445 -3.502 -6.680 4.032 173 HZ3 LYS 445 HZ3 LYS 445 -2.076 -6.809 4.942 174 H CYS 446 HN CYS 446 1.388 -1.634 2.279 175 HA CYS 446 HA CYS 446 4.198 -2.091 3.010 176 HB2 CYS 446 HB2 CYS 446 3.113 -1.252 0.313 177 HB3 CYS 446 HB1 CYS 446 4.798 -1.574 0.709 178 H LYS 447 HN LYS 447 1.872 0.242 1.703 179 HA LYS 447 HA LYS 447 1.637 2.462 1.811 180 HB2 LYS 447 HB2 LYS 447 1.289 1.939 4.142 181 HB3 LYS 447 HB1 LYS 447 3.016 2.004 4.442 182 HG2 LYS 447 HG2 LYS 447 3.055 4.370 4.070 183 HG3 LYS 447 HG1 LYS 447 1.377 4.356 3.524 184 HD2 LYS 447 HD2 LYS 447 0.638 3.691 5.742 185 HD3 LYS 447 HD1 LYS 447 2.311 3.616 6.296 186 HE2 LYS 447 HE2 LYS 447 1.240 5.684 7.005 187 HE3 LYS 447 HE1 LYS 447 2.567 6.000 5.889 188 HZ1 LYS 447 HZ1 LYS 447 1.177 7.065 4.557 189 HZ2 LYS 447 HZ2 LYS 447 -0.074 6.837 5.673 190 HZ3 LYS 447 HZ3 LYS 447 0.162 5.714 4.430 191 H GLY 448 HN GLY 448 2.548 4.441 1.355 192 HA2 GLY 448 HA2 GLY 448 5.182 4.370 0.233 193 HA3 GLY 448 HA1 GLY 448 4.105 5.758 0.289 194 H LYS 449 HN LYS 449 5.616 3.759 2.778 195 HA LYS 449 HA LYS 449 6.231 5.996 4.457 196 HB2 LYS 449 HB2 LYS 449 7.461 3.258 4.708 197 HB3 LYS 449 HB1 LYS 449 7.069 4.402 5.985 198 HG2 LYS 449 HG2 LYS 449 4.689 4.016 5.592 199 HG3 LYS 449 HG1 LYS 449 5.103 2.857 4.328 200 HD2 LYS 449 HD2 LYS 449 6.022 2.577 7.178 201 HD3 LYS 449 HD1 LYS 449 4.529 1.862 6.566 202 HE2 LYS 449 HE2 LYS 449 5.811 0.617 4.895 203 HE3 LYS 449 HE1 LYS 449 7.304 1.327 5.509 204 HZ1 LYS 449 HZ1 LYS 449 7.291 0.022 7.334 205 HZ2 LYS 449 HZ2 LYS 449 6.407 -1.017 6.320 206 HZ3 LYS 449 HZ3 LYS 449 5.599 -0.034 7.440 207 H GLY 450 HN GLY 450 8.857 4.999 5.322 208 HA2 GLY 450 HA2 GLY 450 10.519 6.299 3.331 209 HA3 GLY 450 HA1 GLY 450 11.030 5.718 4.910 210 H GLU 451 HN GLU 451 12.397 5.292 2.436 211 HA GLU 451 HA GLU 451 11.863 2.782 1.297 212 HB2 GLU 451 HB2 GLU 451 13.308 4.564 0.331 213 HB3 GLU 451 HB1 GLU 451 14.542 4.155 1.514 214 HG2 GLU 451 HG2 GLU 451 14.547 1.839 0.574 215 HG3 GLU 451 HG1 GLU 451 13.489 2.431 -0.708 216 H LYS 452 HN LYS 452 13.954 3.705 3.995 217 HA LYS 452 HA LYS 452 15.083 1.120 4.343 218 HB2 LYS 452 HB2 LYS 452 14.847 3.392 6.325 219 HB3 LYS 452 HB1 LYS 452 15.877 1.978 6.509 220 HG2 LYS 452 HG2 LYS 452 17.111 2.641 4.484 221 HG3 LYS 452 HG1 LYS 452 16.109 4.088 4.371 222 HD2 LYS 452 HD2 LYS 452 18.175 4.692 5.422 223 HD3 LYS 452 HD1 LYS 452 16.906 4.731 6.648 224 HE2 LYS 452 HE2 LYS 452 18.873 3.680 7.561 225 HE3 LYS 452 HE1 LYS 452 17.598 2.475 7.384 226 HZ1 LYS 452 HZ1 LYS 452 18.932 1.269 6.114 227 HZ2 LYS 452 HZ2 LYS 452 20.184 2.384 6.366 228 HZ3 LYS 452 HZ3 LYS 452 19.154 2.554 5.030 229 H ASP 453 HN ASP 453 12.234 2.738 5.566 230 HA ASP 453 HA ASP 453 11.566 0.751 7.517 231 HB2 ASP 453 HB2 ASP 453 10.682 3.161 7.395 232 HB3 ASP 453 HB1 ASP 453 9.586 2.571 6.147 233 H CYS 454 HN CYS 454 10.366 1.500 4.256 234 HA CYS 454 HA CYS 454 8.685 -0.686 3.834 235 HB2 CYS 454 HB2 CYS 454 8.717 1.121 2.258 236 HB3 CYS 454 HB1 CYS 454 10.432 0.906 1.941 237 H LYS 455 HN LYS 455 9.013 -2.802 3.503 238 HA LYS 455 HA LYS 455 11.757 -3.810 3.414 239 HB2 LYS 455 HB2 LYS 455 9.070 -5.157 3.645 240 HB3 LYS 455 HB1 LYS 455 10.533 -6.066 3.307 241 HG2 LYS 455 HG2 LYS 455 10.178 -6.253 5.612 242 HG3 LYS 455 HG1 LYS 455 11.481 -5.083 5.425 243 HD2 LYS 455 HD2 LYS 455 10.034 -3.263 5.892 244 HD3 LYS 455 HD1 LYS 455 8.599 -4.283 5.752 245 HE2 LYS 455 HE2 LYS 455 10.740 -4.547 7.860 246 HE3 LYS 455 HE1 LYS 455 9.163 -3.791 8.092 247 HZ1 LYS 455 HZ1 LYS 455 8.501 -5.815 8.707 248 HZ2 LYS 455 HZ2 LYS 455 9.871 -6.576 8.060 249 HZ3 LYS 455 HZ3 LYS 455 8.547 -6.227 7.064 250 H SER 456 HN SER 456 12.724 -3.973 1.510 251 HA SER 456 HA SER 456 11.347 -3.640 -0.935 252 HG SER 456 HG SER 456 13.144 -2.344 0.117 253 HB2 SER 456 HB2 SER 456 14.154 -4.674 -0.476 254 HB3 SER 456 HB1 SER 456 13.513 -4.044 -1.995 255 HA PRO 457 HA PRO 457 12.096 -8.460 -1.555 256 HB2 PRO 457 HB2 PRO 457 11.815 -9.827 0.829 257 HB3 PRO 457 HB1 PRO 457 13.359 -9.481 0.046 258 HG2 PRO 457 HG2 PRO 457 12.008 -8.038 2.290 259 HG3 PRO 457 HG1 PRO 457 13.723 -8.443 2.085 260 HD2 PRO 457 HD2 PRO 457 12.813 -5.974 1.607 261 HD3 PRO 457 HD1 PRO 457 14.086 -6.701 0.603 262 H ASP 458 HN ASP 458 10.173 -7.229 1.137 263 HA ASP 458 HA ASP 458 7.894 -8.878 0.577 264 HB2 ASP 458 HB2 ASP 458 8.539 -7.943 2.847 265 HB3 ASP 458 HB1 ASP 458 7.977 -6.379 2.273 266 H CYS 459 HN CYS 459 8.657 -5.417 0.140 267 HA CYS 459 HA CYS 459 6.430 -5.265 -1.790 268 HB2 CYS 459 HB2 CYS 459 7.226 -3.155 0.233 269 HB3 CYS 459 HB1 CYS 459 5.910 -3.036 -0.934 270 H LYS 460 HN LYS 460 6.741 -3.985 -3.589 271 HA LYS 460 HA LYS 460 9.487 -3.478 -4.293 272 HB2 LYS 460 HB2 LYS 460 7.974 -4.358 -5.977 273 HB3 LYS 460 HB1 LYS 460 6.921 -2.960 -5.802 274 HG2 LYS 460 HG2 LYS 460 8.585 -1.509 -6.723 275 HG3 LYS 460 HG1 LYS 460 9.781 -2.806 -6.724 276 HD2 LYS 460 HD2 LYS 460 8.904 -2.462 -8.955 277 HD3 LYS 460 HD1 LYS 460 8.413 -4.040 -8.344 278 HE2 LYS 460 HE2 LYS 460 6.234 -3.016 -7.676 279 HE3 LYS 460 HE1 LYS 460 6.737 -1.545 -8.504 280 HZ1 LYS 460 HZ1 LYS 460 5.675 -3.960 -9.591 281 HZ2 LYS 460 HZ2 LYS 460 7.135 -3.529 -10.339 282 HZ3 LYS 460 HZ3 LYS 460 5.841 -2.432 -10.313 283 H TRP 461 HN TRP 461 10.524 -1.601 -4.363 284 HA TRP 461 HA TRP 461 9.071 0.801 -3.475 285 HD1 TRP 461 HD1 TRP 461 12.942 2.620 -4.135 286 HE1 TRP 461 HE1 TRP 461 12.768 4.939 -3.036 287 HE3 TRP 461 HE3 TRP 461 9.328 1.606 -0.656 288 HZ2 TRP 461 HZ2 TRP 461 11.303 6.163 -0.964 289 HZ3 TRP 461 HZ3 TRP 461 8.613 3.409 0.847 290 HH2 TRP 461 HH2 TRP 461 9.577 5.642 0.692 291 HB2 TRP 461 HB2 TRP 461 11.012 0.118 -2.086 292 HB3 TRP 461 HB1 TRP 461 12.054 0.247 -3.499 293 H GLU 462 HN GLU 462 8.570 2.215 -5.039 294 HA GLU 462 HA GLU 462 10.504 2.925 -7.035 295 HB2 GLU 462 HB2 GLU 462 9.148 2.400 -8.997 296 HB3 GLU 462 HB1 GLU 462 9.567 0.943 -8.111 297 HG2 GLU 462 HG2 GLU 462 7.393 0.668 -7.301 298 HG3 GLU 462 HG1 GLU 462 6.939 2.324 -7.704 299 H GLY 463 HN GLY 463 10.111 4.887 -7.959 300 HA2 GLY 463 HA2 GLY 463 9.228 6.999 -8.110 301 HA3 GLY 463 HA1 GLY 463 7.647 6.244 -7.965 302 H GLY 464 HN GLY 464 10.155 5.988 -5.544 303 HA2 GLY 464 HA2 GLY 464 10.288 6.740 -3.384 304 HA3 GLY 464 HA1 GLY 464 9.399 8.155 -3.922 305 H THR 465 HN THR 465 8.334 4.772 -3.882 306 HA THR 465 HA THR 465 6.737 5.150 -1.537 307 HB THR 465 HB THR 465 5.342 6.316 -3.242 308 HG1 THR 465 HG1 THR 465 3.786 5.623 -2.002 309 HG21 THR 465 HG21 THR 465 6.085 4.474 -5.018 310 HG22 THR 465 HG22 THR 465 4.561 5.350 -5.152 311 HG23 THR 465 HG23 THR 465 4.585 3.723 -4.472 312 H CYS 466 HN CYS 466 5.883 3.251 -0.748 313 HA CYS 466 HA CYS 466 7.150 0.840 -1.813 314 HB2 CYS 466 HB2 CYS 466 7.460 1.629 0.575 315 HB3 CYS 466 HB1 CYS 466 5.758 1.268 0.845 316 H LYS 467 HN LYS 467 5.934 -0.572 -2.954 317 HA LYS 467 HA LYS 467 3.044 -0.669 -2.383 318 HB2 LYS 467 HB2 LYS 467 4.287 -0.703 -5.140 319 HB3 LYS 467 HB1 LYS 467 2.570 -0.787 -4.770 320 HG2 LYS 467 HG2 LYS 467 2.730 1.477 -3.771 321 HG3 LYS 467 HG1 LYS 467 4.412 1.542 -4.296 322 HD2 LYS 467 HD2 LYS 467 2.012 1.209 -6.096 323 HD3 LYS 467 HD1 LYS 467 2.932 2.700 -5.872 324 HE2 LYS 467 HE2 LYS 467 4.941 1.539 -6.721 325 HE3 LYS 467 HE1 LYS 467 3.959 0.104 -7.014 326 HZ1 LYS 467 HZ1 LYS 467 3.243 2.702 -8.213 327 HZ2 LYS 467 HZ2 LYS 467 2.808 1.146 -8.717 328 HZ3 LYS 467 HZ3 LYS 467 4.396 1.696 -8.944 329 H ASP 468 HN ASP 468 2.057 -2.635 -2.556 330 HA ASP 468 HA ASP 468 3.726 -4.984 -2.565 331 HB2 ASP 468 HB2 ASP 468 1.665 -6.218 -2.164 332 HB3 ASP 468 HB1 ASP 468 1.732 -4.826 -1.090 Start of MODEL 28 1 H1 GLY 421 HT1 GLY 421 -10.496 -35.079 -4.935 2 H2 GLY 421 HT2 GLY 421 -8.919 -34.643 -5.387 3 H3 GLY 421 HT3 GLY 421 -9.665 -33.880 -4.067 4 HA2 GLY 421 HA1 GLY 421 -9.753 -36.604 -3.544 5 HA3 GLY 421 HA2 GLY 421 -8.130 -36.251 -4.123 6 H THR 422 HN THR 422 -9.545 -36.811 -1.405 7 HA THR 422 HA THR 422 -8.820 -34.468 0.139 8 HB THR 422 HB THR 422 -9.546 -37.179 1.254 9 HG1 THR 422 HG1 THR 422 -11.045 -35.695 -0.368 10 HG21 THR 422 HG21 THR 422 -10.696 -34.957 2.627 11 HG22 THR 422 HG22 THR 422 -8.976 -34.639 2.396 12 HG23 THR 422 HG23 THR 422 -9.498 -36.113 3.212 13 H LYS 423 HN LYS 423 -6.606 -35.054 -1.123 14 HA LYS 423 HA LYS 423 -4.940 -36.991 0.132 15 HB2 LYS 423 HB2 LYS 423 -4.592 -36.242 -2.191 16 HB3 LYS 423 HB1 LYS 423 -4.200 -34.631 -1.612 17 HG2 LYS 423 HG2 LYS 423 -2.253 -35.559 -0.423 18 HG3 LYS 423 HG1 LYS 423 -2.635 -37.150 -1.085 19 HD2 LYS 423 HD2 LYS 423 -2.382 -36.247 -3.358 20 HD3 LYS 423 HD1 LYS 423 -1.955 -34.677 -2.676 21 HE2 LYS 423 HE2 LYS 423 -0.023 -35.714 -1.556 22 HE3 LYS 423 HE1 LYS 423 -0.442 -37.257 -2.296 23 HZ1 LYS 423 HZ1 LYS 423 0.632 -34.828 -3.558 24 HZ2 LYS 423 HZ2 LYS 423 -0.292 -35.910 -4.481 25 HZ3 LYS 423 HZ3 LYS 423 1.134 -36.441 -3.732 26 H ALA 424 HN ALA 424 -5.216 -33.468 0.343 27 HA ALA 424 HA ALA 424 -3.206 -33.334 2.428 28 HB1 ALA 424 HB1 ALA 424 -4.402 -31.493 0.595 29 HB2 ALA 424 HB2 ALA 424 -2.967 -31.289 1.599 30 HB3 ALA 424 HB3 ALA 424 -4.557 -30.875 2.239 31 H SER 425 HN SER 425 -3.553 -32.953 4.563 32 HA SER 425 HA SER 425 -6.344 -32.790 5.468 33 HG SER 425 HG SER 425 -3.530 -34.860 5.575 34 HB2 SER 425 HB2 SER 425 -5.537 -34.179 7.482 35 HB3 SER 425 HB1 SER 425 -5.802 -35.034 5.964 36 H LYS 426 HN LYS 426 -3.390 -32.956 7.382 37 HA LYS 426 HA LYS 426 -2.426 -31.521 8.855 38 HB2 LYS 426 HB2 LYS 426 -1.982 -30.472 6.554 39 HB3 LYS 426 HB1 LYS 426 -3.235 -29.312 6.970 40 HG2 LYS 426 HG2 LYS 426 -1.974 -28.463 8.785 41 HG3 LYS 426 HG1 LYS 426 -0.814 -29.789 8.685 42 HD2 LYS 426 HD2 LYS 426 0.166 -27.810 7.718 43 HD3 LYS 426 HD1 LYS 426 -0.151 -28.984 6.440 44 HE2 LYS 426 HE2 LYS 426 -0.837 -26.888 5.592 45 HE3 LYS 426 HE1 LYS 426 -2.311 -27.758 6.008 46 HZ1 LYS 426 HZ1 LYS 426 -2.588 -25.581 6.809 47 HZ2 LYS 426 HZ2 LYS 426 -1.032 -25.530 7.478 48 HZ3 LYS 426 HZ3 LYS 426 -2.222 -26.508 8.184 49 H SER 427 HN SER 427 -4.532 -32.184 10.007 50 HA SER 427 HA SER 427 -6.617 -30.313 10.303 51 HG SER 427 HG SER 427 -5.806 -33.223 12.929 52 HB2 SER 427 HB2 SER 427 -7.182 -31.761 12.331 53 HB3 SER 427 HB1 SER 427 -7.123 -32.574 10.767 54 H GLY 428 HN GLY 428 -3.501 -30.501 11.744 55 HA2 GLY 428 HA2 GLY 428 -4.005 -29.223 14.214 56 HA3 GLY 428 HA1 GLY 428 -2.466 -29.247 13.367 57 H VAL 429 HN VAL 429 -2.992 -27.018 14.720 58 HA VAL 429 HA VAL 429 -4.425 -25.036 13.262 59 HB VAL 429 HB VAL 429 -2.203 -24.621 15.274 60 HG11 VAL 429 HG11 VAL 429 -3.313 -22.758 13.639 61 HG12 VAL 429 HG12 VAL 429 -2.635 -22.416 15.231 62 HG13 VAL 429 HG13 VAL 429 -4.374 -22.656 15.045 63 HG21 VAL 429 HG21 VAL 429 -5.077 -24.364 15.989 64 HG22 VAL 429 HG22 VAL 429 -3.695 -24.802 16.993 65 HG23 VAL 429 HG23 VAL 429 -4.383 -25.980 15.875 66 HA PRO 430 HA PRO 430 -1.485 -24.550 9.978 67 HB2 PRO 430 HB2 PRO 430 -2.462 -22.145 9.058 68 HB3 PRO 430 HB1 PRO 430 -3.132 -23.725 8.639 69 HG2 PRO 430 HG2 PRO 430 -4.060 -21.747 10.676 70 HG3 PRO 430 HG1 PRO 430 -5.014 -22.761 9.578 71 HD2 PRO 430 HD2 PRO 430 -4.710 -23.372 12.181 72 HD3 PRO 430 HD1 PRO 430 -4.818 -24.629 10.928 73 H VAL 431 HN VAL 431 0.376 -23.425 9.563 74 HA VAL 431 HA VAL 431 1.377 -21.740 11.683 75 HB VAL 431 HB VAL 431 2.753 -22.357 9.063 76 HG11 VAL 431 HG11 VAL 431 3.684 -20.533 10.462 77 HG12 VAL 431 HG12 VAL 431 4.783 -21.900 10.266 78 HG13 VAL 431 HG13 VAL 431 3.891 -21.693 11.773 79 HG21 VAL 431 HG21 VAL 431 3.278 -23.913 11.556 80 HG22 VAL 431 HG22 VAL 431 3.540 -24.365 9.872 81 HG23 VAL 431 HG23 VAL 431 1.907 -24.353 10.537 82 H THR 432 HN THR 432 -0.608 -20.338 11.007 83 HA THR 432 HA THR 432 -0.419 -18.722 8.700 84 HB THR 432 HB THR 432 -1.944 -18.051 11.217 85 HG1 THR 432 HG1 THR 432 -2.713 -19.765 9.061 86 HG21 THR 432 HG21 THR 432 -1.729 -16.504 9.097 87 HG22 THR 432 HG22 THR 432 -3.279 -16.705 9.914 88 HG23 THR 432 HG23 THR 432 -2.936 -17.609 8.439 89 H GLN 433 HN GLN 433 0.822 -18.435 11.929 90 HA GLN 433 HA GLN 433 1.916 -16.847 13.092 91 HB2 GLN 433 HB2 GLN 433 3.813 -15.752 11.986 92 HB3 GLN 433 HB1 GLN 433 3.747 -17.471 11.644 93 HG2 GLN 433 HG2 GLN 433 2.971 -17.068 9.423 94 HG3 GLN 433 HG1 GLN 433 2.764 -15.347 9.753 95 HE21 GLN 433 HE21 GLN 433 4.615 -17.357 8.110 96 HE22 GLN 433 HE22 GLN 433 6.135 -16.529 8.182 97 H THR 434 HN THR 434 2.837 -14.313 11.440 98 HA THR 434 HA THR 434 2.225 -12.141 11.506 99 HB THR 434 HB THR 434 1.229 -13.001 9.371 100 HG1 THR 434 HG1 THR 434 -0.150 -10.818 10.579 101 HG21 THR 434 HG21 THR 434 -1.459 -12.702 10.680 102 HG22 THR 434 HG22 THR 434 -0.657 -14.268 10.548 103 HG23 THR 434 HG23 THR 434 -1.070 -13.365 9.092 104 H GLN 435 HN GLN 435 1.775 -13.355 13.925 105 HA GLN 435 HA GLN 435 -0.813 -12.693 14.973 106 HB2 GLN 435 HB2 GLN 435 1.784 -13.356 16.376 107 HB3 GLN 435 HB1 GLN 435 0.218 -13.217 17.162 108 HG2 GLN 435 HG2 GLN 435 -0.620 -15.117 15.983 109 HG3 GLN 435 HG1 GLN 435 0.825 -15.192 14.976 110 HE21 GLN 435 HE21 GLN 435 -0.677 -16.554 17.549 111 HE22 GLN 435 HE22 GLN 435 0.701 -17.237 18.360 112 H THR 436 HN THR 436 2.435 -11.297 15.115 113 HA THR 436 HA THR 436 1.804 -9.181 16.858 114 HB THR 436 HB THR 436 4.000 -9.299 14.781 115 HG1 THR 436 HG1 THR 436 3.591 -10.586 17.188 116 HG21 THR 436 HG21 THR 436 4.818 -7.381 15.607 117 HG22 THR 436 HG22 THR 436 4.518 -7.877 17.273 118 HG23 THR 436 HG23 THR 436 3.224 -7.145 16.323 119 H ALA 437 HN ALA 437 2.112 -9.205 13.298 120 HA ALA 437 HA ALA 437 -0.005 -7.339 12.960 121 HB1 ALA 437 HB1 ALA 437 2.641 -6.151 12.209 122 HB2 ALA 437 HB2 ALA 437 1.973 -5.923 13.825 123 HB3 ALA 437 HB3 ALA 437 1.080 -5.356 12.413 124 H GLY 438 HN GLY 438 -0.672 -7.204 10.868 125 HA2 GLY 438 HA2 GLY 438 0.975 -7.822 8.633 126 HA3 GLY 438 HA1 GLY 438 -0.028 -9.201 9.067 127 H ALA 439 HN ALA 439 0.116 -6.899 6.911 128 HA ALA 439 HA ALA 439 -1.331 -5.813 5.544 129 HB1 ALA 439 HB1 ALA 439 -3.590 -7.452 6.641 130 HB2 ALA 439 HB2 ALA 439 -2.364 -8.163 5.593 131 HB3 ALA 439 HB3 ALA 439 -3.359 -6.829 5.008 132 H ASP 440 HN ASP 440 -0.748 -4.539 7.884 133 HA ASP 440 HA ASP 440 -3.120 -3.573 9.185 134 HB2 ASP 440 HB2 ASP 440 -1.545 -1.990 10.306 135 HB3 ASP 440 HB1 ASP 440 -1.090 -3.681 10.480 136 H THR 441 HN THR 441 -3.731 -1.295 9.227 137 HA THR 441 HA THR 441 -4.429 -0.345 6.739 138 HB THR 441 HB THR 441 -4.080 1.399 9.183 139 HG1 THR 441 HG1 THR 441 -5.979 -0.592 8.541 140 HG21 THR 441 HG21 THR 441 -6.412 1.719 7.424 141 HG22 THR 441 HG22 THR 441 -4.864 2.103 6.670 142 HG23 THR 441 HG23 THR 441 -5.360 2.938 8.142 143 H THR 442 HN THR 442 -3.356 0.619 5.159 144 HA THR 442 HA THR 442 -1.497 2.714 5.494 145 HB THR 442 HB THR 442 -0.046 0.866 6.321 146 HG1 THR 442 HG1 THR 442 0.591 2.297 3.956 147 HG21 THR 442 HG21 THR 442 0.178 -0.206 3.542 148 HG22 THR 442 HG22 THR 442 -1.145 -0.762 4.570 149 HG23 THR 442 HG23 THR 442 0.526 -0.987 5.087 150 H ALA 443 HN ALA 443 -2.974 0.242 3.604 151 HA ALA 443 HA ALA 443 -3.733 0.175 1.465 152 HB1 ALA 443 HB1 ALA 443 -2.712 2.348 0.069 153 HB2 ALA 443 HB2 ALA 443 -3.054 2.977 1.681 154 HB3 ALA 443 HB3 ALA 443 -4.332 2.193 0.752 155 H GLU 444 HN GLU 444 -2.925 -1.026 -0.100 156 HA GLU 444 HA GLU 444 -1.487 -2.293 -1.249 157 HB2 GLU 444 HB2 GLU 444 -0.824 0.281 -1.853 158 HB3 GLU 444 HB1 GLU 444 0.720 -0.356 -1.294 159 HG2 GLU 444 HG2 GLU 444 0.843 -0.869 -3.500 160 HG3 GLU 444 HG1 GLU 444 0.111 -2.340 -2.865 161 H LYS 445 HN LYS 445 -1.403 -2.208 1.628 162 HA LYS 445 HA LYS 445 -0.315 -3.077 3.416 163 HB2 LYS 445 HB2 LYS 445 -0.474 -4.956 1.660 164 HB3 LYS 445 HB1 LYS 445 1.250 -4.701 1.431 165 HG2 LYS 445 HG2 LYS 445 1.266 -4.959 4.062 166 HG3 LYS 445 HG1 LYS 445 -0.217 -5.856 3.730 167 HD2 LYS 445 HD2 LYS 445 1.629 -7.401 3.747 168 HD3 LYS 445 HD1 LYS 445 1.057 -7.228 2.085 169 HE2 LYS 445 HE2 LYS 445 2.860 -5.587 1.677 170 HE3 LYS 445 HE1 LYS 445 3.450 -5.863 3.315 171 HZ1 LYS 445 HZ1 LYS 445 4.742 -7.372 2.318 172 HZ2 LYS 445 HZ2 LYS 445 3.758 -7.485 0.938 173 HZ3 LYS 445 HZ3 LYS 445 3.364 -8.359 2.339 174 H CYS 446 HN CYS 446 1.091 -0.768 1.929 175 HA CYS 446 HA CYS 446 3.482 -0.784 3.483 176 HB2 CYS 446 HB2 CYS 446 3.509 -2.021 0.896 177 HB3 CYS 446 HB1 CYS 446 4.587 -0.639 0.920 178 H LYS 447 HN LYS 447 1.516 0.738 1.004 179 HA LYS 447 HA LYS 447 3.105 2.889 0.344 180 HB2 LYS 447 HB2 LYS 447 0.988 2.380 -0.782 181 HB3 LYS 447 HB1 LYS 447 0.098 2.889 0.645 182 HG2 LYS 447 HG2 LYS 447 0.910 5.160 0.375 183 HG3 LYS 447 HG1 LYS 447 1.869 4.666 -1.021 184 HD2 LYS 447 HD2 LYS 447 -1.134 4.450 -0.846 185 HD3 LYS 447 HD1 LYS 447 -0.269 5.775 -1.624 186 HE2 LYS 447 HE2 LYS 447 -0.039 2.871 -2.393 187 HE3 LYS 447 HE1 LYS 447 -1.050 4.055 -3.217 188 HZ1 LYS 447 HZ1 LYS 447 1.381 3.491 -4.019 189 HZ2 LYS 447 HZ2 LYS 447 1.784 4.699 -2.901 190 HZ3 LYS 447 HZ3 LYS 447 0.728 5.047 -4.181 191 H GLY 448 HN GLY 448 4.096 4.273 1.612 192 HA2 GLY 448 HA2 GLY 448 3.472 6.256 3.145 193 HA3 GLY 448 HA1 GLY 448 2.834 4.979 4.176 194 H LYS 449 HN LYS 449 4.933 3.105 3.399 195 HA LYS 449 HA LYS 449 6.831 3.678 5.418 196 HB2 LYS 449 HB2 LYS 449 6.777 1.665 3.177 197 HB3 LYS 449 HB1 LYS 449 8.131 1.779 4.290 198 HG2 LYS 449 HG2 LYS 449 6.626 1.320 6.159 199 HG3 LYS 449 HG1 LYS 449 5.279 1.177 5.027 200 HD2 LYS 449 HD2 LYS 449 6.314 -0.712 3.955 201 HD3 LYS 449 HD1 LYS 449 7.772 -0.517 4.931 202 HE2 LYS 449 HE2 LYS 449 6.501 -1.013 6.944 203 HE3 LYS 449 HE1 LYS 449 5.027 -1.185 5.990 204 HZ1 LYS 449 HZ1 LYS 449 7.118 -3.074 6.458 205 HZ2 LYS 449 HZ2 LYS 449 6.827 -2.871 4.801 206 HZ3 LYS 449 HZ3 LYS 449 5.559 -3.326 5.830 207 H GLY 450 HN GLY 450 8.882 4.462 5.333 208 HA2 GLY 450 HA2 GLY 450 9.696 6.017 3.041 209 HA3 GLY 450 HA1 GLY 450 10.623 5.759 4.517 210 H GLU 451 HN GLU 451 12.043 5.639 2.255 211 HA GLU 451 HA GLU 451 12.111 3.237 0.851 212 HB2 GLU 451 HB2 GLU 451 13.372 5.237 0.183 213 HB3 GLU 451 HB1 GLU 451 14.446 5.018 1.558 214 HG2 GLU 451 HG2 GLU 451 14.890 2.687 0.532 215 HG3 GLU 451 HG1 GLU 451 14.207 3.388 -0.933 216 H LYS 452 HN LYS 452 13.699 4.114 3.886 217 HA LYS 452 HA LYS 452 15.178 1.686 4.092 218 HB2 LYS 452 HB2 LYS 452 14.432 3.557 6.343 219 HB3 LYS 452 HB1 LYS 452 15.776 2.422 6.303 220 HG2 LYS 452 HG2 LYS 452 15.454 4.946 4.703 221 HG3 LYS 452 HG1 LYS 452 16.654 4.599 5.948 222 HD2 LYS 452 HD2 LYS 452 17.689 2.930 4.536 223 HD3 LYS 452 HD1 LYS 452 16.430 3.141 3.316 224 HE2 LYS 452 HE2 LYS 452 18.415 5.237 4.196 225 HE3 LYS 452 HE1 LYS 452 18.486 4.313 2.697 226 HZ1 LYS 452 HZ1 LYS 452 16.698 5.446 1.807 227 HZ2 LYS 452 HZ2 LYS 452 17.486 6.670 2.676 228 HZ3 LYS 452 HZ3 LYS 452 16.099 5.935 3.319 229 H ASP 453 HN ASP 453 12.115 2.831 5.423 230 HA ASP 453 HA ASP 453 11.544 0.561 7.022 231 HB2 ASP 453 HB2 ASP 453 9.815 2.691 5.778 232 HB3 ASP 453 HB1 ASP 453 9.111 1.351 6.676 233 H CYS 454 HN CYS 454 11.017 1.347 3.666 234 HA CYS 454 HA CYS 454 9.325 -0.820 3.019 235 HB2 CYS 454 HB2 CYS 454 9.719 1.311 1.660 236 HB3 CYS 454 HB1 CYS 454 11.242 0.586 1.153 237 H LYS 455 HN LYS 455 9.939 -2.887 3.307 238 HA LYS 455 HA LYS 455 12.708 -3.684 2.806 239 HB2 LYS 455 HB2 LYS 455 10.316 -5.019 3.995 240 HB3 LYS 455 HB1 LYS 455 11.550 -6.031 3.257 241 HG2 LYS 455 HG2 LYS 455 11.951 -5.851 5.622 242 HG3 LYS 455 HG1 LYS 455 13.233 -5.023 4.740 243 HD2 LYS 455 HD2 LYS 455 12.174 -2.877 5.186 244 HD3 LYS 455 HD1 LYS 455 10.852 -3.693 6.027 245 HE2 LYS 455 HE2 LYS 455 13.756 -3.703 6.837 246 HE3 LYS 455 HE1 LYS 455 12.464 -2.783 7.606 247 HZ1 LYS 455 HZ1 LYS 455 13.106 -5.606 7.813 248 HZ2 LYS 455 HZ2 LYS 455 11.451 -5.239 7.724 249 HZ3 LYS 455 HZ3 LYS 455 12.407 -4.563 8.954 250 H SER 456 HN SER 456 13.360 -4.449 0.891 251 HA SER 456 HA SER 456 11.727 -4.248 -1.342 252 HG SER 456 HG SER 456 13.486 -4.398 -3.389 253 HB2 SER 456 HB2 SER 456 14.209 -4.122 -1.382 254 HB3 SER 456 HB1 SER 456 14.279 -5.867 -1.139 255 HA PRO 457 HA PRO 457 11.336 -9.108 -1.417 256 HB2 PRO 457 HB2 PRO 457 11.341 -10.246 1.087 257 HB3 PRO 457 HB1 PRO 457 12.725 -10.244 -0.010 258 HG2 PRO 457 HG2 PRO 457 12.145 -8.455 2.313 259 HG3 PRO 457 HG1 PRO 457 13.685 -9.170 1.801 260 HD2 PRO 457 HD2 PRO 457 13.074 -6.599 1.294 261 HD3 PRO 457 HD1 PRO 457 14.025 -7.582 0.160 262 H ASP 458 HN ASP 458 10.282 -7.192 1.327 263 HA ASP 458 HA ASP 458 7.720 -8.461 1.542 264 HB2 ASP 458 HB2 ASP 458 8.782 -7.520 3.514 265 HB3 ASP 458 HB1 ASP 458 8.820 -5.926 2.769 266 H CYS 459 HN CYS 459 8.902 -5.351 0.266 267 HA CYS 459 HA CYS 459 6.525 -5.186 -1.429 268 HB2 CYS 459 HB2 CYS 459 7.384 -2.891 0.349 269 HB3 CYS 459 HB1 CYS 459 6.045 -2.883 -0.790 270 H LYS 460 HN LYS 460 6.896 -4.052 -3.333 271 HA LYS 460 HA LYS 460 9.697 -3.520 -3.881 272 HB2 LYS 460 HB2 LYS 460 8.901 -3.202 -6.243 273 HB3 LYS 460 HB1 LYS 460 8.645 -4.803 -5.568 274 HG2 LYS 460 HG2 LYS 460 6.285 -4.178 -5.115 275 HG3 LYS 460 HG1 LYS 460 6.579 -2.644 -5.941 276 HD2 LYS 460 HD2 LYS 460 5.565 -4.221 -7.474 277 HD3 LYS 460 HD1 LYS 460 7.229 -3.889 -7.962 278 HE2 LYS 460 HE2 LYS 460 7.953 -5.970 -6.892 279 HE3 LYS 460 HE1 LYS 460 6.289 -6.304 -6.412 280 HZ1 LYS 460 HZ1 LYS 460 7.104 -5.961 -9.245 281 HZ2 LYS 460 HZ2 LYS 460 5.648 -6.594 -8.645 282 HZ3 LYS 460 HZ3 LYS 460 7.090 -7.471 -8.466 283 H TRP 461 HN TRP 461 10.570 -1.607 -4.238 284 HA TRP 461 HA TRP 461 9.028 0.733 -3.443 285 HD1 TRP 461 HD1 TRP 461 12.913 2.659 -4.492 286 HE1 TRP 461 HE1 TRP 461 12.742 5.028 -3.491 287 HE3 TRP 461 HE3 TRP 461 9.369 1.770 -0.919 288 HZ2 TRP 461 HZ2 TRP 461 11.291 6.326 -1.442 289 HZ3 TRP 461 HZ3 TRP 461 8.659 3.624 0.516 290 HH2 TRP 461 HH2 TRP 461 9.594 5.859 0.258 291 HB2 TRP 461 HB2 TRP 461 11.158 0.217 -2.305 292 HB3 TRP 461 HB1 TRP 461 12.007 0.334 -3.840 293 H GLU 462 HN GLU 462 8.243 2.097 -4.927 294 HA GLU 462 HA GLU 462 9.131 1.948 -7.680 295 HB2 GLU 462 HB2 GLU 462 6.728 2.345 -6.734 296 HB3 GLU 462 HB1 GLU 462 7.236 4.025 -6.636 297 HG2 GLU 462 HG2 GLU 462 7.687 4.055 -9.016 298 HG3 GLU 462 HG1 GLU 462 7.266 2.346 -9.132 299 H GLY 463 HN GLY 463 8.418 5.028 -7.698 300 HA2 GLY 463 HA2 GLY 463 11.177 5.904 -7.635 301 HA3 GLY 463 HA1 GLY 463 9.779 6.873 -8.087 302 H GLY 464 HN GLY 464 8.191 6.554 -5.867 303 HA2 GLY 464 HA2 GLY 464 9.737 7.252 -3.498 304 HA3 GLY 464 HA1 GLY 464 8.754 8.543 -4.180 305 H THR 465 HN THR 465 8.099 5.079 -3.915 306 HA THR 465 HA THR 465 6.274 5.402 -1.757 307 HB THR 465 HB THR 465 4.891 6.283 -3.637 308 HG1 THR 465 HG1 THR 465 3.815 5.319 -1.897 309 HG21 THR 465 HG21 THR 465 3.949 4.270 -5.088 310 HG22 THR 465 HG22 THR 465 5.570 3.634 -4.804 311 HG23 THR 465 HG23 THR 465 5.362 5.198 -5.591 312 H CYS 466 HN CYS 466 5.950 3.540 -0.733 313 HA CYS 466 HA CYS 466 7.194 1.129 -1.847 314 HB2 CYS 466 HB2 CYS 466 7.819 1.963 0.444 315 HB3 CYS 466 HB1 CYS 466 6.168 1.624 0.955 316 H LYS 467 HN LYS 467 5.965 -0.665 -2.387 317 HA LYS 467 HA LYS 467 3.243 -0.810 -1.420 318 HB2 LYS 467 HB2 LYS 467 2.107 -0.573 -3.427 319 HB3 LYS 467 HB1 LYS 467 3.313 0.697 -3.500 320 HG2 LYS 467 HG2 LYS 467 3.785 -1.960 -4.790 321 HG3 LYS 467 HG1 LYS 467 2.852 -0.703 -5.590 322 HD2 LYS 467 HD2 LYS 467 4.827 0.821 -5.261 323 HD3 LYS 467 HD1 LYS 467 5.741 -0.612 -4.760 324 HE2 LYS 467 HE2 LYS 467 5.264 -1.684 -6.890 325 HE3 LYS 467 HE1 LYS 467 4.280 -0.309 -7.385 326 HZ1 LYS 467 HZ1 LYS 467 6.281 0.082 -8.415 327 HZ2 LYS 467 HZ2 LYS 467 7.207 -0.490 -7.118 328 HZ3 LYS 467 HZ3 LYS 467 6.431 1.013 -7.010 329 H ASP 468 HN ASP 468 2.494 -2.813 -1.244 330 HA ASP 468 HA ASP 468 4.274 -4.996 -1.631 331 HB2 ASP 468 HB2 ASP 468 2.669 -5.042 0.170 332 HB3 ASP 468 HB1 ASP 468 1.329 -4.897 -0.962 Start of MODEL 29 1 H1 GLY 421 HT1 GLY 421 -30.807 -25.338 -17.557 2 H2 GLY 421 HT2 GLY 421 -32.452 -25.587 -17.236 3 H3 GLY 421 HT3 GLY 421 -31.289 -26.071 -16.105 4 HA2 GLY 421 HA1 GLY 421 -32.646 -23.689 -16.149 5 HA3 GLY 421 HA2 GLY 421 -31.257 -24.092 -15.149 6 H THR 422 HN THR 422 -32.350 -21.730 -16.970 7 HA THR 422 HA THR 422 -30.188 -21.175 -18.737 8 HB THR 422 HB THR 422 -32.220 -19.270 -17.549 9 HG1 THR 422 HG1 THR 422 -32.219 -20.620 -20.066 10 HG21 THR 422 HG21 THR 422 -30.193 -18.198 -18.543 11 HG22 THR 422 HG22 THR 422 -31.691 -17.804 -19.382 12 HG23 THR 422 HG23 THR 422 -30.582 -18.987 -20.070 13 H LYS 423 HN LYS 423 -28.263 -20.408 -18.297 14 HA LYS 423 HA LYS 423 -26.474 -19.482 -17.253 15 HB2 LYS 423 HB2 LYS 423 -28.463 -18.250 -15.338 16 HB3 LYS 423 HB1 LYS 423 -26.744 -17.892 -15.387 17 HG2 LYS 423 HG2 LYS 423 -27.165 -17.196 -17.824 18 HG3 LYS 423 HG1 LYS 423 -28.869 -17.168 -17.366 19 HD2 LYS 423 HD2 LYS 423 -26.639 -15.601 -16.073 20 HD3 LYS 423 HD1 LYS 423 -27.890 -14.957 -17.136 21 HE2 LYS 423 HE2 LYS 423 -28.483 -16.334 -14.527 22 HE3 LYS 423 HE1 LYS 423 -28.247 -14.594 -14.669 23 HZ1 LYS 423 HZ1 LYS 423 -30.466 -14.645 -14.939 24 HZ2 LYS 423 HZ2 LYS 423 -30.497 -16.237 -15.517 25 HZ3 LYS 423 HZ3 LYS 423 -30.068 -14.966 -16.554 26 H ALA 424 HN ALA 424 -25.047 -20.433 -15.938 27 HA ALA 424 HA ALA 424 -25.743 -22.717 -14.470 28 HB1 ALA 424 HB1 ALA 424 -23.522 -23.026 -14.219 29 HB2 ALA 424 HB2 ALA 424 -23.245 -21.368 -13.681 30 HB3 ALA 424 HB3 ALA 424 -23.414 -21.721 -15.400 31 H SER 425 HN SER 425 -24.840 -19.467 -13.381 32 HA SER 425 HA SER 425 -25.018 -18.410 -11.373 33 HG SER 425 HG SER 425 -27.501 -20.698 -11.881 34 HB2 SER 425 HB2 SER 425 -27.377 -18.411 -10.499 35 HB3 SER 425 HB1 SER 425 -27.224 -18.049 -12.217 36 H LYS 426 HN LYS 426 -23.547 -20.579 -10.881 37 HA LYS 426 HA LYS 426 -23.894 -20.967 -8.116 38 HB2 LYS 426 HB2 LYS 426 -25.687 -22.505 -8.830 39 HB3 LYS 426 HB1 LYS 426 -24.528 -23.403 -9.801 40 HG2 LYS 426 HG2 LYS 426 -23.334 -24.085 -7.825 41 HG3 LYS 426 HG1 LYS 426 -24.368 -23.078 -6.812 42 HD2 LYS 426 HD2 LYS 426 -26.306 -24.434 -7.441 43 HD3 LYS 426 HD1 LYS 426 -25.272 -25.443 -8.456 44 HE2 LYS 426 HE2 LYS 426 -25.722 -26.481 -6.272 45 HE3 LYS 426 HE1 LYS 426 -24.007 -26.151 -6.509 46 HZ1 LYS 426 HZ1 LYS 426 -23.999 -24.539 -4.925 47 HZ2 LYS 426 HZ2 LYS 426 -25.224 -25.524 -4.290 48 HZ3 LYS 426 HZ3 LYS 426 -25.628 -24.124 -5.155 49 H SER 427 HN SER 427 -22.596 -22.435 -11.067 50 HA SER 427 HA SER 427 -20.257 -23.456 -9.797 51 HG SER 427 HG SER 427 -21.230 -25.368 -12.498 52 HB2 SER 427 HB2 SER 427 -20.734 -22.966 -12.746 53 HB3 SER 427 HB1 SER 427 -19.561 -24.071 -12.030 54 H GLY 428 HN GLY 428 -18.655 -22.245 -9.075 55 HA2 GLY 428 HA2 GLY 428 -16.881 -20.782 -9.126 56 HA3 GLY 428 HA1 GLY 428 -17.296 -20.404 -10.787 57 H VAL 429 HN VAL 429 -19.522 -19.180 -10.852 58 HA VAL 429 HA VAL 429 -20.532 -17.194 -10.716 59 HB VAL 429 HB VAL 429 -21.412 -16.418 -8.668 60 HG11 VAL 429 HG11 VAL 429 -21.186 -19.416 -8.656 61 HG12 VAL 429 HG12 VAL 429 -22.412 -18.436 -9.461 62 HG13 VAL 429 HG13 VAL 429 -22.343 -18.490 -7.701 63 HG21 VAL 429 HG21 VAL 429 -20.589 -17.742 -6.521 64 HG22 VAL 429 HG22 VAL 429 -19.867 -16.215 -7.028 65 HG23 VAL 429 HG23 VAL 429 -19.074 -17.740 -7.424 66 HA PRO 430 HA PRO 430 -17.421 -14.096 -10.839 67 HB2 PRO 430 HB2 PRO 430 -19.492 -12.140 -11.393 68 HB3 PRO 430 HB1 PRO 430 -18.295 -12.822 -12.491 69 HG2 PRO 430 HG2 PRO 430 -20.959 -13.342 -12.671 70 HG3 PRO 430 HG1 PRO 430 -19.705 -14.478 -13.204 71 HD2 PRO 430 HD2 PRO 430 -21.300 -14.465 -10.669 72 HD3 PRO 430 HD1 PRO 430 -20.838 -15.835 -11.701 73 H VAL 431 HN VAL 431 -18.565 -14.671 -8.215 74 HA VAL 431 HA VAL 431 -18.850 -11.996 -7.040 75 HB VAL 431 HB VAL 431 -19.106 -14.694 -5.693 76 HG11 VAL 431 HG11 VAL 431 -19.422 -11.873 -4.740 77 HG12 VAL 431 HG12 VAL 431 -18.568 -13.218 -3.985 78 HG13 VAL 431 HG13 VAL 431 -20.331 -13.182 -3.983 79 HG21 VAL 431 HG21 VAL 431 -20.841 -13.857 -7.498 80 HG22 VAL 431 HG22 VAL 431 -21.427 -12.892 -6.143 81 HG23 VAL 431 HG23 VAL 431 -21.369 -14.649 -6.014 82 H THR 432 HN THR 432 -17.018 -11.025 -6.510 83 HA THR 432 HA THR 432 -14.981 -12.317 -4.961 84 HB THR 432 HB THR 432 -14.384 -13.230 -7.146 85 HG1 THR 432 HG1 THR 432 -12.416 -12.956 -6.479 86 HG21 THR 432 HG21 THR 432 -13.537 -11.585 -8.907 87 HG22 THR 432 HG22 THR 432 -14.435 -10.353 -8.026 88 HG23 THR 432 HG23 THR 432 -15.284 -11.731 -8.724 89 H GLN 433 HN GLN 433 -13.744 -10.831 -3.901 90 HA GLN 433 HA GLN 433 -13.761 -8.062 -4.826 91 HB2 GLN 433 HB2 GLN 433 -14.401 -7.224 -2.590 92 HB3 GLN 433 HB1 GLN 433 -15.687 -8.149 -3.349 93 HG2 GLN 433 HG2 GLN 433 -15.197 -10.055 -1.964 94 HG3 GLN 433 HG1 GLN 433 -13.799 -9.233 -1.274 95 HE21 GLN 433 HE21 GLN 433 -15.923 -6.834 -1.636 96 HE22 GLN 433 HE22 GLN 433 -16.734 -6.899 -0.110 97 H THR 434 HN THR 434 -11.730 -10.021 -4.805 98 HA THR 434 HA THR 434 -9.971 -9.517 -2.585 99 HB THR 434 HB THR 434 -8.311 -10.711 -4.218 100 HG1 THR 434 HG1 THR 434 -9.916 -12.160 -5.534 101 HG21 THR 434 HG21 THR 434 -9.434 -11.653 -2.169 102 HG22 THR 434 HG22 THR 434 -9.064 -12.837 -3.423 103 HG23 THR 434 HG23 THR 434 -10.715 -12.244 -3.229 104 H GLN 435 HN GLN 435 -10.617 -7.118 -3.420 105 HA GLN 435 HA GLN 435 -8.127 -6.106 -4.577 106 HB2 GLN 435 HB2 GLN 435 -9.807 -6.010 -6.368 107 HB3 GLN 435 HB1 GLN 435 -10.895 -5.123 -5.312 108 HG2 GLN 435 HG2 GLN 435 -9.358 -3.255 -5.251 109 HG3 GLN 435 HG1 GLN 435 -8.208 -4.145 -6.247 110 HE21 GLN 435 HE21 GLN 435 -10.566 -1.872 -6.285 111 HE22 GLN 435 HE22 GLN 435 -11.031 -1.953 -7.953 112 H THR 436 HN THR 436 -11.167 -5.297 -2.941 113 HA THR 436 HA THR 436 -9.908 -3.214 -1.356 114 HB THR 436 HB THR 436 -12.158 -3.324 -0.108 115 HG1 THR 436 HG1 THR 436 -13.750 -4.526 -0.984 116 HG21 THR 436 HG21 THR 436 -12.840 -2.653 -2.879 117 HG22 THR 436 HG22 THR 436 -11.350 -1.911 -2.292 118 HG23 THR 436 HG23 THR 436 -12.868 -1.649 -1.428 119 H ALA 437 HN ALA 437 -11.345 -6.412 -0.885 120 HA ALA 437 HA ALA 437 -10.097 -6.704 1.728 121 HB1 ALA 437 HB1 ALA 437 -11.293 -8.726 1.932 122 HB2 ALA 437 HB2 ALA 437 -11.571 -8.830 0.192 123 HB3 ALA 437 HB3 ALA 437 -12.407 -7.604 1.147 124 H GLY 438 HN GLY 438 -8.193 -7.716 2.041 125 HA2 GLY 438 HA2 GLY 438 -7.157 -9.705 0.263 126 HA3 GLY 438 HA1 GLY 438 -6.388 -8.146 0.006 127 H ALA 439 HN ALA 439 -7.540 -9.501 3.039 128 HA ALA 439 HA ALA 439 -6.531 -10.128 4.961 129 HB1 ALA 439 HB1 ALA 439 -4.175 -10.927 4.917 130 HB2 ALA 439 HB2 ALA 439 -4.103 -10.473 3.215 131 HB3 ALA 439 HB3 ALA 439 -5.231 -11.718 3.748 132 H ASP 440 HN ASP 440 -5.593 -9.173 6.698 133 HA ASP 440 HA ASP 440 -4.986 -6.379 6.372 134 HB2 ASP 440 HB2 ASP 440 -4.959 -6.369 8.876 135 HB3 ASP 440 HB1 ASP 440 -6.457 -6.955 8.165 136 H THR 441 HN THR 441 -2.996 -8.333 5.421 137 HA THR 441 HA THR 441 -0.716 -7.702 7.155 138 HB THR 441 HB THR 441 -0.647 -9.318 4.605 139 HG1 THR 441 HG1 THR 441 -1.465 -10.024 7.204 140 HG21 THR 441 HG21 THR 441 1.178 -9.360 7.012 141 HG22 THR 441 HG22 THR 441 1.496 -8.437 5.544 142 HG23 THR 441 HG23 THR 441 1.418 -10.195 5.476 143 H THR 442 HN THR 442 -1.676 -7.540 3.743 144 HA THR 442 HA THR 442 0.030 -5.174 3.390 145 HB THR 442 HB THR 442 -1.400 -6.697 1.203 146 HG1 THR 442 HG1 THR 442 1.092 -7.360 1.045 147 HG21 THR 442 HG21 THR 442 0.646 -5.745 -0.063 148 HG22 THR 442 HG22 THR 442 0.775 -4.642 1.307 149 HG23 THR 442 HG23 THR 442 -0.690 -4.661 0.328 150 H ALA 443 HN ALA 443 -2.007 -4.596 4.960 151 HA ALA 443 HA ALA 443 -4.522 -4.155 3.834 152 HB1 ALA 443 HB1 ALA 443 -3.109 -3.139 6.246 153 HB2 ALA 443 HB2 ALA 443 -4.593 -4.086 6.117 154 HB3 ALA 443 HB3 ALA 443 -4.614 -2.358 5.759 155 H GLU 444 HN GLU 444 -1.962 -1.720 4.429 156 HA GLU 444 HA GLU 444 -3.322 0.017 2.528 157 HB2 GLU 444 HB2 GLU 444 -1.909 1.837 3.345 158 HB3 GLU 444 HB1 GLU 444 -2.760 1.064 4.672 159 HG2 GLU 444 HG2 GLU 444 0.066 0.352 3.954 160 HG3 GLU 444 HG1 GLU 444 -0.327 1.684 5.038 161 H LYS 445 HN LYS 445 -1.837 -2.332 1.853 162 HA LYS 445 HA LYS 445 -0.360 -3.143 0.355 163 HB2 LYS 445 HB2 LYS 445 -1.080 -0.489 -0.846 164 HB3 LYS 445 HB1 LYS 445 -0.077 -1.659 -1.691 165 HG2 LYS 445 HG2 LYS 445 -1.914 -3.309 -1.482 166 HG3 LYS 445 HG1 LYS 445 -2.916 -2.045 -0.763 167 HD2 LYS 445 HD2 LYS 445 -3.426 -2.250 -3.121 168 HD3 LYS 445 HD1 LYS 445 -2.636 -0.701 -2.817 169 HE2 LYS 445 HE2 LYS 445 -1.749 -1.722 -4.830 170 HE3 LYS 445 HE1 LYS 445 -0.507 -1.647 -3.582 171 HZ1 LYS 445 HZ1 LYS 445 -0.859 -3.815 -4.945 172 HZ2 LYS 445 HZ2 LYS 445 -2.126 -4.092 -3.854 173 HZ3 LYS 445 HZ3 LYS 445 -0.535 -3.912 -3.283 174 H CYS 446 HN CYS 446 0.842 -1.802 2.603 175 HA CYS 446 HA CYS 446 2.910 -1.348 3.400 176 HB2 CYS 446 HB2 CYS 446 3.298 -3.185 1.568 177 HB3 CYS 446 HB1 CYS 446 4.071 -1.867 0.706 178 H LYS 447 HN LYS 447 1.312 0.519 1.436 179 HA LYS 447 HA LYS 447 3.256 2.418 0.555 180 HB2 LYS 447 HB2 LYS 447 1.191 2.124 -0.660 181 HB3 LYS 447 HB1 LYS 447 0.244 2.484 0.774 182 HG2 LYS 447 HG2 LYS 447 1.021 4.765 0.747 183 HG3 LYS 447 HG1 LYS 447 2.044 4.420 -0.649 184 HD2 LYS 447 HD2 LYS 447 0.034 3.831 -1.948 185 HD3 LYS 447 HD1 LYS 447 -0.968 4.237 -0.555 186 HE2 LYS 447 HE2 LYS 447 -0.975 6.083 -2.098 187 HE3 LYS 447 HE1 LYS 447 -0.087 6.545 -0.647 188 HZ1 LYS 447 HZ1 LYS 447 0.936 7.174 -2.849 189 HZ2 LYS 447 HZ2 LYS 447 1.268 5.528 -3.076 190 HZ3 LYS 447 HZ3 LYS 447 1.952 6.361 -1.764 191 H GLY 448 HN GLY 448 4.114 4.065 1.663 192 HA2 GLY 448 HA2 GLY 448 3.373 5.972 3.187 193 HA3 GLY 448 HA1 GLY 448 2.961 4.684 4.309 194 H LYS 449 HN LYS 449 5.191 3.015 3.731 195 HA LYS 449 HA LYS 449 7.069 4.191 5.522 196 HB2 LYS 449 HB2 LYS 449 6.894 1.591 4.052 197 HB3 LYS 449 HB1 LYS 449 8.393 2.043 4.852 198 HG2 LYS 449 HG2 LYS 449 7.291 2.171 6.976 199 HG3 LYS 449 HG1 LYS 449 5.717 1.911 6.220 200 HD2 LYS 449 HD2 LYS 449 7.923 -0.095 5.921 201 HD3 LYS 449 HD1 LYS 449 6.893 -0.088 7.353 202 HE2 LYS 449 HE2 LYS 449 5.910 -0.269 4.508 203 HE3 LYS 449 HE1 LYS 449 6.105 -1.643 5.596 204 HZ1 LYS 449 HZ1 LYS 449 4.577 -0.222 7.128 205 HZ2 LYS 449 HZ2 LYS 449 3.897 -1.145 5.880 206 HZ3 LYS 449 HZ3 LYS 449 4.118 0.524 5.676 207 H GLY 450 HN GLY 450 9.123 4.896 5.203 208 HA2 GLY 450 HA2 GLY 450 9.820 5.992 2.653 209 HA3 GLY 450 HA1 GLY 450 10.836 5.964 4.089 210 H GLU 451 HN GLU 451 12.284 5.564 1.977 211 HA GLU 451 HA GLU 451 12.236 3.013 0.795 212 HB2 GLU 451 HB2 GLU 451 13.400 4.942 -0.193 213 HB3 GLU 451 HB1 GLU 451 14.591 4.875 1.097 214 HG2 GLU 451 HG2 GLU 451 15.269 2.644 0.356 215 HG3 GLU 451 HG1 GLU 451 14.080 2.721 -0.943 216 H LYS 452 HN LYS 452 14.088 4.244 3.555 217 HA LYS 452 HA LYS 452 15.608 1.882 3.954 218 HB2 LYS 452 HB2 LYS 452 14.837 4.011 5.955 219 HB3 LYS 452 HB1 LYS 452 16.097 2.806 6.175 220 HG2 LYS 452 HG2 LYS 452 17.288 3.767 4.224 221 HG3 LYS 452 HG1 LYS 452 16.065 5.040 4.158 222 HD2 LYS 452 HD2 LYS 452 18.034 5.816 5.357 223 HD3 LYS 452 HD1 LYS 452 16.654 5.701 6.452 224 HE2 LYS 452 HE2 LYS 452 17.482 3.505 7.210 225 HE3 LYS 452 HE1 LYS 452 18.888 3.696 6.162 226 HZ1 LYS 452 HZ1 LYS 452 19.149 4.309 8.590 227 HZ2 LYS 452 HZ2 LYS 452 18.223 5.684 8.245 228 HZ3 LYS 452 HZ3 LYS 452 19.702 5.438 7.454 229 H ASP 453 HN ASP 453 12.550 3.049 5.215 230 HA ASP 453 HA ASP 453 12.132 0.936 7.070 231 HB2 ASP 453 HB2 ASP 453 10.200 2.858 5.757 232 HB3 ASP 453 HB1 ASP 453 9.763 1.748 7.052 233 H CYS 454 HN CYS 454 11.138 1.507 3.747 234 HA CYS 454 HA CYS 454 9.326 -0.589 3.445 235 HB2 CYS 454 HB2 CYS 454 9.613 1.296 1.858 236 HB3 CYS 454 HB1 CYS 454 11.161 0.621 1.363 237 H LYS 455 HN LYS 455 9.684 -2.682 3.728 238 HA LYS 455 HA LYS 455 12.286 -3.875 3.495 239 HB2 LYS 455 HB2 LYS 455 9.544 -5.130 3.769 240 HB3 LYS 455 HB1 LYS 455 11.060 -6.014 3.847 241 HG2 LYS 455 HG2 LYS 455 11.701 -4.727 5.834 242 HG3 LYS 455 HG1 LYS 455 10.162 -3.864 5.757 243 HD2 LYS 455 HD2 LYS 455 10.434 -6.853 6.049 244 HD3 LYS 455 HD1 LYS 455 10.184 -5.737 7.393 245 HE2 LYS 455 HE2 LYS 455 8.053 -5.081 6.549 246 HE3 LYS 455 HE1 LYS 455 8.320 -5.947 5.037 247 HZ1 LYS 455 HZ1 LYS 455 7.792 -7.913 5.961 248 HZ2 LYS 455 HZ2 LYS 455 6.934 -6.945 7.061 249 HZ3 LYS 455 HZ3 LYS 455 8.471 -7.532 7.471 250 H SER 456 HN SER 456 13.206 -4.318 1.626 251 HA SER 456 HA SER 456 11.892 -3.987 -0.810 252 HG SER 456 HG SER 456 14.985 -4.484 -2.428 253 HB2 SER 456 HB2 SER 456 14.337 -3.671 -0.418 254 HB3 SER 456 HB1 SER 456 14.516 -5.421 -0.355 255 HA PRO 457 HA PRO 457 11.972 -8.830 -1.391 256 HB2 PRO 457 HB2 PRO 457 11.768 -10.231 0.959 257 HB3 PRO 457 HB1 PRO 457 13.291 -9.965 0.100 258 HG2 PRO 457 HG2 PRO 457 12.148 -8.482 2.436 259 HG3 PRO 457 HG1 PRO 457 13.814 -9.028 2.166 260 HD2 PRO 457 HD2 PRO 457 13.106 -6.478 1.764 261 HD3 PRO 457 HD1 PRO 457 14.278 -7.291 0.699 262 H ASP 458 HN ASP 458 10.408 -7.239 1.291 263 HA ASP 458 HA ASP 458 8.013 -8.800 1.107 264 HB2 ASP 458 HB2 ASP 458 8.881 -6.475 2.802 265 HB3 ASP 458 HB1 ASP 458 7.248 -7.111 2.861 266 H CYS 459 HN CYS 459 8.989 -5.479 0.268 267 HA CYS 459 HA CYS 459 6.467 -5.217 -1.234 268 HB2 CYS 459 HB2 CYS 459 7.613 -2.961 0.412 269 HB3 CYS 459 HB1 CYS 459 6.023 -3.056 -0.340 270 H LYS 460 HN LYS 460 6.581 -3.928 -3.073 271 HA LYS 460 HA LYS 460 9.240 -3.572 -4.158 272 HB2 LYS 460 HB2 LYS 460 6.472 -3.242 -5.301 273 HB3 LYS 460 HB1 LYS 460 7.894 -2.682 -6.169 274 HG2 LYS 460 HG2 LYS 460 7.239 -4.856 -6.970 275 HG3 LYS 460 HG1 LYS 460 8.793 -4.967 -6.144 276 HD2 LYS 460 HD2 LYS 460 7.646 -5.762 -4.130 277 HD3 LYS 460 HD1 LYS 460 6.106 -5.695 -4.986 278 HE2 LYS 460 HE2 LYS 460 6.888 -7.961 -4.989 279 HE3 LYS 460 HE1 LYS 460 7.008 -7.322 -6.627 280 HZ1 LYS 460 HZ1 LYS 460 9.404 -6.895 -5.123 281 HZ2 LYS 460 HZ2 LYS 460 9.193 -7.633 -6.639 282 HZ3 LYS 460 HZ3 LYS 460 9.002 -8.541 -5.219 283 H TRP 461 HN TRP 461 10.104 -1.635 -4.871 284 HA TRP 461 HA TRP 461 8.989 0.740 -3.527 285 HD1 TRP 461 HD1 TRP 461 12.801 2.658 -4.876 286 HE1 TRP 461 HE1 TRP 461 12.681 4.933 -3.669 287 HE3 TRP 461 HE3 TRP 461 9.472 1.452 -1.193 288 HZ2 TRP 461 HZ2 TRP 461 11.345 6.056 -1.449 289 HZ3 TRP 461 HZ3 TRP 461 8.839 3.171 0.433 290 HH2 TRP 461 HH2 TRP 461 9.751 5.431 0.309 291 HB2 TRP 461 HB2 TRP 461 11.290 0.012 -2.839 292 HB3 TRP 461 HB1 TRP 461 11.828 0.321 -4.487 293 H GLU 462 HN GLU 462 8.111 2.250 -4.795 294 HA GLU 462 HA GLU 462 8.531 2.149 -7.670 295 HB2 GLU 462 HB2 GLU 462 6.281 2.560 -6.451 296 HB3 GLU 462 HB1 GLU 462 6.867 4.202 -6.225 297 HG2 GLU 462 HG2 GLU 462 7.079 4.461 -8.644 298 HG3 GLU 462 HG1 GLU 462 6.484 2.817 -8.872 299 H GLY 463 HN GLY 463 7.969 5.252 -7.468 300 HA2 GLY 463 HA2 GLY 463 10.728 6.048 -7.744 301 HA3 GLY 463 HA1 GLY 463 9.319 7.105 -7.827 302 H GLY 464 HN GLY 464 8.128 6.527 -5.428 303 HA2 GLY 464 HA2 GLY 464 10.032 6.763 -3.265 304 HA3 GLY 464 HA1 GLY 464 9.127 8.238 -3.591 305 H THR 465 HN THR 465 8.084 4.888 -3.846 306 HA THR 465 HA THR 465 6.312 5.181 -1.567 307 HB THR 465 HB THR 465 5.327 4.557 -4.331 308 HG1 THR 465 HG1 THR 465 5.551 6.871 -2.954 309 HG21 THR 465 HG21 THR 465 3.721 3.409 -3.298 310 HG22 THR 465 HG22 THR 465 3.143 4.958 -2.681 311 HG23 THR 465 HG23 THR 465 4.244 3.973 -1.712 312 H CYS 466 HN CYS 466 6.162 3.366 -0.467 313 HA CYS 466 HA CYS 466 7.278 0.884 -1.507 314 HB2 CYS 466 HB2 CYS 466 7.567 1.796 0.905 315 HB3 CYS 466 HB1 CYS 466 5.910 1.289 1.152 316 H LYS 467 HN LYS 467 6.001 -0.835 -2.189 317 HA LYS 467 HA LYS 467 3.230 -0.953 -1.445 318 HB2 LYS 467 HB2 LYS 467 2.332 -0.852 -3.747 319 HB3 LYS 467 HB1 LYS 467 2.985 0.678 -3.186 320 HG2 LYS 467 HG2 LYS 467 4.988 0.337 -4.515 321 HG3 LYS 467 HG1 LYS 467 4.387 -1.243 -5.036 322 HD2 LYS 467 HD2 LYS 467 2.459 -0.164 -6.085 323 HD3 LYS 467 HD1 LYS 467 3.052 1.413 -5.565 324 HE2 LYS 467 HE2 LYS 467 5.031 1.151 -6.939 325 HE3 LYS 467 HE1 LYS 467 4.521 -0.473 -7.399 326 HZ1 LYS 467 HZ1 LYS 467 3.560 0.512 -9.131 327 HZ2 LYS 467 HZ2 LYS 467 3.694 2.065 -8.453 328 HZ3 LYS 467 HZ3 LYS 467 2.383 1.067 -8.043 329 H ASP 468 HN ASP 468 2.429 -2.917 -1.529 330 HA ASP 468 HA ASP 468 3.948 -5.000 -2.953 331 HB2 ASP 468 HB2 ASP 468 4.360 -5.336 -0.616 332 HB3 ASP 468 HB1 ASP 468 2.661 -5.105 -0.220 Start of MODEL 30 1 H1 GLY 421 HT1 GLY 421 -12.968 -32.820 12.160 2 H2 GLY 421 HT2 GLY 421 -13.114 -33.009 10.485 3 H3 GLY 421 HT3 GLY 421 -13.459 -31.509 11.202 4 HA2 GLY 421 HA1 GLY 421 -11.321 -31.401 10.148 5 HA3 GLY 421 HA2 GLY 421 -11.145 -31.295 11.894 6 H THR 422 HN THR 422 -9.271 -32.247 12.349 7 HA THR 422 HA THR 422 -7.626 -33.796 12.525 8 HB THR 422 HB THR 422 -9.797 -35.827 11.952 9 HG1 THR 422 HG1 THR 422 -9.113 -34.401 14.331 10 HG21 THR 422 HG21 THR 422 -8.159 -36.740 13.996 11 HG22 THR 422 HG22 THR 422 -7.032 -35.994 12.865 12 HG23 THR 422 HG23 THR 422 -8.112 -37.274 12.316 13 H LYS 423 HN LYS 423 -7.680 -32.581 10.081 14 HA LYS 423 HA LYS 423 -6.183 -34.428 8.527 15 HB2 LYS 423 HB2 LYS 423 -7.557 -34.367 6.473 16 HB3 LYS 423 HB1 LYS 423 -8.356 -35.215 7.788 17 HG2 LYS 423 HG2 LYS 423 -9.770 -33.296 8.210 18 HG3 LYS 423 HG1 LYS 423 -8.918 -32.372 6.971 19 HD2 LYS 423 HD2 LYS 423 -10.987 -33.197 6.049 20 HD3 LYS 423 HD1 LYS 423 -9.641 -34.047 5.289 21 HE2 LYS 423 HE2 LYS 423 -11.388 -35.622 5.806 22 HE3 LYS 423 HE1 LYS 423 -9.996 -35.932 6.843 23 HZ1 LYS 423 HZ1 LYS 423 -11.892 -34.102 7.996 24 HZ2 LYS 423 HZ2 LYS 423 -11.178 -35.490 8.665 25 HZ3 LYS 423 HZ3 LYS 423 -12.553 -35.634 7.685 26 H ALA 424 HN ALA 424 -5.819 -31.913 9.759 27 HA ALA 424 HA ALA 424 -4.558 -30.526 7.610 28 HB1 ALA 424 HB1 ALA 424 -5.774 -28.337 8.099 29 HB2 ALA 424 HB2 ALA 424 -7.024 -29.332 8.850 30 HB3 ALA 424 HB3 ALA 424 -6.643 -29.538 7.141 31 H SER 425 HN SER 425 -2.779 -29.619 8.401 32 HA SER 425 HA SER 425 -2.692 -28.553 11.109 33 HG SER 425 HG SER 425 -3.253 -30.787 11.506 34 HB2 SER 425 HB2 SER 425 -0.862 -30.806 10.228 35 HB3 SER 425 HB1 SER 425 -0.772 -29.942 11.762 36 H LYS 426 HN LYS 426 -1.080 -29.227 8.059 37 HA LYS 426 HA LYS 426 0.102 -26.588 8.100 38 HB2 LYS 426 HB2 LYS 426 2.371 -27.508 7.502 39 HB3 LYS 426 HB1 LYS 426 1.887 -27.757 9.172 40 HG2 LYS 426 HG2 LYS 426 1.374 -30.058 8.745 41 HG3 LYS 426 HG1 LYS 426 1.636 -29.839 7.013 42 HD2 LYS 426 HD2 LYS 426 3.991 -29.315 7.442 43 HD3 LYS 426 HD1 LYS 426 3.725 -29.549 9.173 44 HE2 LYS 426 HE2 LYS 426 3.157 -31.869 8.804 45 HE3 LYS 426 HE1 LYS 426 3.295 -31.653 7.060 46 HZ1 LYS 426 HZ1 LYS 426 5.385 -31.917 9.073 47 HZ2 LYS 426 HZ2 LYS 426 5.696 -30.849 7.793 48 HZ3 LYS 426 HZ3 LYS 426 5.335 -32.474 7.471 49 H SER 427 HN SER 427 1.968 -27.862 5.930 50 HA SER 427 HA SER 427 1.997 -28.078 3.678 51 HG SER 427 HG SER 427 -0.323 -28.946 1.782 52 HB2 SER 427 HB2 SER 427 0.516 -30.058 4.237 53 HB3 SER 427 HB1 SER 427 -0.871 -29.026 3.890 54 H GLY 428 HN GLY 428 1.553 -25.596 4.655 55 HA2 GLY 428 HA2 GLY 428 0.541 -24.185 2.459 56 HA3 GLY 428 HA1 GLY 428 -0.725 -24.263 3.678 57 H VAL 429 HN VAL 429 1.195 -22.124 2.559 58 HA VAL 429 HA VAL 429 1.832 -20.983 5.186 59 HB VAL 429 HB VAL 429 3.908 -21.954 4.294 60 HG11 VAL 429 HG11 VAL 429 4.928 -20.730 2.283 61 HG12 VAL 429 HG12 VAL 429 3.269 -20.258 1.911 62 HG13 VAL 429 HG13 VAL 429 3.706 -21.966 1.980 63 HG21 VAL 429 HG21 VAL 429 4.447 -20.195 5.645 64 HG22 VAL 429 HG22 VAL 429 3.622 -19.014 4.628 65 HG23 VAL 429 HG23 VAL 429 5.184 -19.667 4.134 66 HA PRO 430 HA PRO 430 -0.581 -17.659 3.614 67 HB2 PRO 430 HB2 PRO 430 1.083 -16.037 5.475 68 HB3 PRO 430 HB1 PRO 430 -0.677 -16.147 5.344 69 HG2 PRO 430 HG2 PRO 430 0.602 -17.359 7.330 70 HG3 PRO 430 HG1 PRO 430 -0.766 -18.148 6.525 71 HD2 PRO 430 HD2 PRO 430 2.162 -18.665 6.236 72 HD3 PRO 430 HD1 PRO 430 0.807 -19.814 6.231 73 H VAL 431 HN VAL 431 2.921 -17.239 3.924 74 HA VAL 431 HA VAL 431 2.944 -15.071 2.004 75 HB VAL 431 HB VAL 431 5.403 -15.112 2.287 76 HG11 VAL 431 HG11 VAL 431 3.804 -13.865 3.809 77 HG12 VAL 431 HG12 VAL 431 5.422 -14.163 4.443 78 HG13 VAL 431 HG13 VAL 431 4.069 -15.157 4.980 79 HG21 VAL 431 HG21 VAL 431 6.213 -17.161 2.795 80 HG22 VAL 431 HG22 VAL 431 4.773 -17.626 3.702 81 HG23 VAL 431 HG23 VAL 431 5.992 -16.594 4.450 82 H THR 432 HN THR 432 1.860 -17.456 0.980 83 HA THR 432 HA THR 432 3.766 -18.906 -0.562 84 HB THR 432 HB THR 432 1.544 -19.822 0.041 85 HG1 THR 432 HG1 THR 432 2.507 -20.836 -1.681 86 HG21 THR 432 HG21 THR 432 0.503 -17.835 -1.977 87 HG22 THR 432 HG22 THR 432 0.182 -17.824 -0.244 88 HG23 THR 432 HG23 THR 432 -0.436 -19.136 -1.247 89 H GLN 433 HN GLN 433 4.343 -18.701 -2.698 90 HA GLN 433 HA GLN 433 4.883 -17.663 -4.643 91 HB2 GLN 433 HB2 GLN 433 2.207 -16.354 -4.195 92 HB3 GLN 433 HB1 GLN 433 3.218 -15.969 -5.579 93 HG2 GLN 433 HG2 GLN 433 2.129 -18.689 -4.896 94 HG3 GLN 433 HG1 GLN 433 1.510 -17.602 -6.139 95 HE21 GLN 433 HE21 GLN 433 3.127 -20.318 -5.827 96 HE22 GLN 433 HE22 GLN 433 4.216 -20.217 -7.173 97 H THR 434 HN THR 434 6.002 -16.761 -2.286 98 HA THR 434 HA THR 434 7.233 -15.077 -1.379 99 HB THR 434 HB THR 434 6.925 -13.446 -3.885 100 HG1 THR 434 HG1 THR 434 8.293 -15.934 -3.603 101 HG21 THR 434 HG21 THR 434 8.937 -12.544 -3.315 102 HG22 THR 434 HG22 THR 434 9.540 -14.050 -2.627 103 HG23 THR 434 HG23 THR 434 8.429 -13.042 -1.700 104 H GLN 435 HN GLN 435 4.290 -15.071 -1.306 105 HA GLN 435 HA GLN 435 2.585 -13.876 -0.447 106 HB2 GLN 435 HB2 GLN 435 4.848 -12.689 0.702 107 HB3 GLN 435 HB1 GLN 435 3.866 -11.350 0.121 108 HG2 GLN 435 HG2 GLN 435 3.030 -13.527 2.017 109 HG3 GLN 435 HG1 GLN 435 3.273 -11.822 2.387 110 HE21 GLN 435 HE21 GLN 435 0.978 -14.036 2.006 111 HE22 GLN 435 HE22 GLN 435 -0.318 -13.054 1.422 112 H THR 436 HN THR 436 1.021 -13.019 -1.605 113 HA THR 436 HA THR 436 1.376 -10.582 -3.069 114 HB THR 436 HB THR 436 2.342 -12.136 -4.697 115 HG1 THR 436 HG1 THR 436 -0.062 -10.803 -5.207 116 HG21 THR 436 HG21 THR 436 -0.145 -13.673 -4.152 117 HG22 THR 436 HG22 THR 436 1.503 -14.244 -4.416 118 HG23 THR 436 HG23 THR 436 0.523 -13.717 -5.785 119 H ALA 437 HN ALA 437 -0.219 -11.405 -0.936 120 HA ALA 437 HA ALA 437 -2.795 -10.605 -1.925 121 HB1 ALA 437 HB1 ALA 437 -2.300 -13.418 -1.134 122 HB2 ALA 437 HB2 ALA 437 -3.466 -12.748 -2.279 123 HB3 ALA 437 HB3 ALA 437 -3.787 -12.673 -0.545 124 H GLY 438 HN GLY 438 -0.771 -9.590 -0.174 125 HA2 GLY 438 HA2 GLY 438 -1.563 -9.956 2.557 126 HA3 GLY 438 HA1 GLY 438 -0.475 -8.720 1.943 127 H ALA 439 HN ALA 439 -2.153 -7.475 0.111 128 HA ALA 439 HA ALA 439 -4.619 -6.743 1.409 129 HB1 ALA 439 HB1 ALA 439 -2.538 -5.356 2.353 130 HB2 ALA 439 HB2 ALA 439 -4.139 -4.645 2.137 131 HB3 ALA 439 HB3 ALA 439 -2.888 -4.389 0.920 132 H ASP 440 HN ASP 440 -6.078 -5.963 -0.040 133 HA ASP 440 HA ASP 440 -5.606 -6.374 -2.778 134 HB2 ASP 440 HB2 ASP 440 -7.810 -4.786 -1.444 135 HB3 ASP 440 HB1 ASP 440 -7.802 -5.263 -3.137 136 H THR 441 HN THR 441 -4.896 -5.120 -4.354 137 HA THR 441 HA THR 441 -3.799 -3.437 -5.390 138 HB THR 441 HB THR 441 -4.872 -1.130 -5.168 139 HG1 THR 441 HG1 THR 441 -6.029 -2.284 -3.084 140 HG21 THR 441 HG21 THR 441 -5.835 -3.552 -6.393 141 HG22 THR 441 HG22 THR 441 -5.827 -1.903 -7.021 142 HG23 THR 441 HG23 THR 441 -7.169 -2.461 -6.022 143 H THR 442 HN THR 442 -2.585 -4.204 -3.026 144 HA THR 442 HA THR 442 -0.815 -3.639 -1.741 145 HB THR 442 HB THR 442 -0.992 -0.944 -3.102 146 HG1 THR 442 HG1 THR 442 0.303 -3.394 -3.678 147 HG21 THR 442 HG21 THR 442 1.562 -1.097 -2.398 148 HG22 THR 442 HG22 THR 442 0.892 -2.082 -1.099 149 HG23 THR 442 HG23 THR 442 0.346 -0.418 -1.317 150 H ALA 443 HN ALA 443 -3.081 -0.873 -1.851 151 HA ALA 443 HA ALA 443 -3.962 0.444 -0.221 152 HB1 ALA 443 HB1 ALA 443 -4.879 -0.610 1.671 153 HB2 ALA 443 HB2 ALA 443 -3.631 -1.859 1.683 154 HB3 ALA 443 HB3 ALA 443 -4.864 -1.855 0.422 155 H GLU 444 HN GLU 444 -3.136 -0.080 2.727 156 HA GLU 444 HA GLU 444 -0.552 1.254 2.487 157 HB2 GLU 444 HB2 GLU 444 -2.542 1.295 4.735 158 HB3 GLU 444 HB1 GLU 444 -0.915 1.932 4.889 159 HG2 GLU 444 HG2 GLU 444 -2.286 3.782 4.454 160 HG3 GLU 444 HG1 GLU 444 -1.457 3.434 2.940 161 H LYS 445 HN LYS 445 -0.870 -1.518 2.182 162 HA LYS 445 HA LYS 445 0.155 -2.846 4.532 163 HB2 LYS 445 HB2 LYS 445 -0.932 -4.294 3.016 164 HB3 LYS 445 HB1 LYS 445 -0.117 -3.594 1.626 165 HG2 LYS 445 HG2 LYS 445 2.008 -4.575 2.432 166 HG3 LYS 445 HG1 LYS 445 1.111 -5.362 3.733 167 HD2 LYS 445 HD2 LYS 445 -0.065 -6.735 2.238 168 HD3 LYS 445 HD1 LYS 445 0.361 -5.732 0.849 169 HE2 LYS 445 HE2 LYS 445 1.628 -7.828 0.878 170 HE3 LYS 445 HE1 LYS 445 2.680 -6.424 1.032 171 HZ1 LYS 445 HZ1 LYS 445 3.099 -6.876 3.250 172 HZ2 LYS 445 HZ2 LYS 445 3.067 -8.421 2.557 173 HZ3 LYS 445 HZ3 LYS 445 1.730 -7.864 3.427 174 H CYS 446 HN CYS 446 1.337 -1.281 1.666 175 HA CYS 446 HA CYS 446 4.057 -1.409 2.759 176 HB2 CYS 446 HB2 CYS 446 3.284 -1.377 -0.163 177 HB3 CYS 446 HB1 CYS 446 4.923 -1.392 0.469 178 H LYS 447 HN LYS 447 1.573 0.481 1.155 179 HA LYS 447 HA LYS 447 3.223 2.748 0.664 180 HB2 LYS 447 HB2 LYS 447 1.187 2.281 -0.637 181 HB3 LYS 447 HB1 LYS 447 0.212 2.539 0.802 182 HG2 LYS 447 HG2 LYS 447 0.797 4.854 0.868 183 HG3 LYS 447 HG1 LYS 447 1.979 4.641 -0.425 184 HD2 LYS 447 HD2 LYS 447 -0.079 5.655 -1.269 185 HD3 LYS 447 HD1 LYS 447 0.185 4.062 -1.981 186 HE2 LYS 447 HE2 LYS 447 -2.136 4.277 -1.394 187 HE3 LYS 447 HE1 LYS 447 -1.379 3.110 -0.314 188 HZ1 LYS 447 HZ1 LYS 447 -2.586 4.382 1.139 189 HZ2 LYS 447 HZ2 LYS 447 -2.349 5.821 0.274 190 HZ3 LYS 447 HZ3 LYS 447 -1.089 5.181 1.209 191 H GLY 448 HN GLY 448 3.850 4.277 2.015 192 HA2 GLY 448 HA2 GLY 448 2.909 5.848 3.772 193 HA3 GLY 448 HA1 GLY 448 2.522 4.374 4.648 194 H LYS 449 HN LYS 449 5.048 3.080 3.702 195 HA LYS 449 HA LYS 449 6.768 4.402 5.676 196 HB2 LYS 449 HB2 LYS 449 8.121 2.198 5.401 197 HB3 LYS 449 HB1 LYS 449 6.654 2.209 6.364 198 HG2 LYS 449 HG2 LYS 449 5.418 1.168 4.598 199 HG3 LYS 449 HG1 LYS 449 6.789 1.317 3.496 200 HD2 LYS 449 HD2 LYS 449 8.035 -0.303 4.641 201 HD3 LYS 449 HD1 LYS 449 7.029 -0.180 6.084 202 HE2 LYS 449 HE2 LYS 449 5.991 -1.201 3.452 203 HE3 LYS 449 HE1 LYS 449 6.719 -2.252 4.666 204 HZ1 LYS 449 HZ1 LYS 449 5.011 -1.262 6.247 205 HZ2 LYS 449 HZ2 LYS 449 4.431 -2.342 5.079 206 HZ3 LYS 449 HZ3 LYS 449 4.218 -0.674 4.870 207 H GLY 450 HN GLY 450 8.754 5.148 5.207 208 HA2 GLY 450 HA2 GLY 450 9.154 5.972 2.526 209 HA3 GLY 450 HA1 GLY 450 10.239 6.268 3.874 210 H GLU 451 HN GLU 451 11.770 5.992 2.051 211 HA GLU 451 HA GLU 451 12.177 3.509 0.802 212 HB2 GLU 451 HB2 GLU 451 13.015 5.593 -0.109 213 HB3 GLU 451 HB1 GLU 451 14.063 5.809 1.282 214 HG2 GLU 451 HG2 GLU 451 15.376 3.890 0.633 215 HG3 GLU 451 HG1 GLU 451 14.280 3.568 -0.711 216 H LYS 452 HN LYS 452 13.600 4.922 3.724 217 HA LYS 452 HA LYS 452 15.500 2.885 4.207 218 HB2 LYS 452 HB2 LYS 452 14.055 4.663 6.190 219 HB3 LYS 452 HB1 LYS 452 15.481 3.699 6.548 220 HG2 LYS 452 HG2 LYS 452 15.403 5.885 4.485 221 HG3 LYS 452 HG1 LYS 452 15.926 6.113 6.153 222 HD2 LYS 452 HD2 LYS 452 17.181 4.033 4.386 223 HD3 LYS 452 HD1 LYS 452 17.721 5.711 4.359 224 HE2 LYS 452 HE2 LYS 452 19.161 4.695 5.880 225 HE3 LYS 452 HE1 LYS 452 17.955 5.471 6.902 226 HZ1 LYS 452 HZ1 LYS 452 16.905 3.399 7.301 227 HZ2 LYS 452 HZ2 LYS 452 18.563 3.154 7.544 228 HZ3 LYS 452 HZ3 LYS 452 17.829 2.612 6.113 229 H ASP 453 HN ASP 453 12.140 3.302 5.160 230 HA ASP 453 HA ASP 453 12.017 0.945 6.759 231 HB2 ASP 453 HB2 ASP 453 9.937 2.799 5.621 232 HB3 ASP 453 HB1 ASP 453 9.484 1.335 6.484 233 H CYS 454 HN CYS 454 11.076 1.718 3.439 234 HA CYS 454 HA CYS 454 9.709 -0.652 2.873 235 HB2 CYS 454 HB2 CYS 454 9.827 1.556 1.510 236 HB3 CYS 454 HB1 CYS 454 11.290 0.873 0.808 237 H LYS 455 HN LYS 455 10.454 -2.684 2.819 238 HA LYS 455 HA LYS 455 12.940 -3.318 1.477 239 HB2 LYS 455 HB2 LYS 455 13.744 -4.655 3.436 240 HB3 LYS 455 HB1 LYS 455 13.849 -2.909 3.640 241 HG2 LYS 455 HG2 LYS 455 11.798 -2.958 4.982 242 HG3 LYS 455 HG1 LYS 455 11.717 -4.710 4.779 243 HD2 LYS 455 HD2 LYS 455 13.883 -4.924 5.897 244 HD3 LYS 455 HD1 LYS 455 13.942 -3.174 6.104 245 HE2 LYS 455 HE2 LYS 455 13.207 -4.295 8.154 246 HE3 LYS 455 HE1 LYS 455 11.947 -3.250 7.496 247 HZ1 LYS 455 HZ1 LYS 455 11.968 -6.084 6.735 248 HZ2 LYS 455 HZ2 LYS 455 10.657 -5.017 6.914 249 HZ3 LYS 455 HZ3 LYS 455 11.417 -5.664 8.282 250 H SER 456 HN SER 456 13.376 -5.714 1.670 251 HA SER 456 HA SER 456 12.806 -7.874 1.365 252 HG SER 456 HG SER 456 10.121 -9.406 2.621 253 HB2 SER 456 HB2 SER 456 11.668 -7.416 3.621 254 HB3 SER 456 HB1 SER 456 10.165 -7.312 2.705 255 HA PRO 457 HA PRO 457 10.541 -8.013 -2.439 256 HB2 PRO 457 HB2 PRO 457 9.831 -10.665 -2.468 257 HB3 PRO 457 HB1 PRO 457 11.424 -10.061 -2.932 258 HG2 PRO 457 HG2 PRO 457 10.530 -11.272 -0.351 259 HG3 PRO 457 HG1 PRO 457 12.051 -11.502 -1.233 260 HD2 PRO 457 HD2 PRO 457 11.873 -9.902 0.932 261 HD3 PRO 457 HD1 PRO 457 12.965 -9.543 -0.422 262 H ASP 458 HN ASP 458 9.228 -8.329 0.572 263 HA ASP 458 HA ASP 458 6.524 -9.013 -0.069 264 HB2 ASP 458 HB2 ASP 458 7.748 -7.650 2.338 265 HB3 ASP 458 HB1 ASP 458 6.073 -8.152 2.220 266 H CYS 459 HN CYS 459 8.456 -6.086 0.253 267 HA CYS 459 HA CYS 459 6.289 -4.612 -1.069 268 HB2 CYS 459 HB2 CYS 459 7.815 -3.615 1.342 269 HB3 CYS 459 HB1 CYS 459 6.776 -2.615 0.332 270 H LYS 460 HN LYS 460 6.991 -3.393 -2.713 271 HA LYS 460 HA LYS 460 9.895 -3.250 -3.131 272 HB2 LYS 460 HB2 LYS 460 8.664 -4.490 -4.835 273 HB3 LYS 460 HB1 LYS 460 7.603 -3.116 -5.102 274 HG2 LYS 460 HG2 LYS 460 9.203 -3.231 -6.875 275 HG3 LYS 460 HG1 LYS 460 9.557 -1.816 -5.882 276 HD2 LYS 460 HD2 LYS 460 11.332 -3.042 -4.748 277 HD3 LYS 460 HD1 LYS 460 10.965 -4.479 -5.706 278 HE2 LYS 460 HE2 LYS 460 11.914 -1.825 -6.776 279 HE3 LYS 460 HE1 LYS 460 12.893 -3.280 -6.604 280 HZ1 LYS 460 HZ1 LYS 460 11.106 -4.337 -8.097 281 HZ2 LYS 460 HZ2 LYS 460 12.264 -3.322 -8.811 282 HZ3 LYS 460 HZ3 LYS 460 10.700 -2.741 -8.503 283 H TRP 461 HN TRP 461 10.904 -1.338 -3.339 284 HA TRP 461 HA TRP 461 9.350 1.104 -2.990 285 HD1 TRP 461 HD1 TRP 461 13.194 3.111 -3.930 286 HE1 TRP 461 HE1 TRP 461 12.710 5.531 -3.191 287 HE3 TRP 461 HE3 TRP 461 9.324 2.209 -0.725 288 HZ2 TRP 461 HZ2 TRP 461 10.915 6.857 -1.455 289 HZ3 TRP 461 HZ3 TRP 461 8.291 4.103 0.433 290 HH2 TRP 461 HH2 TRP 461 9.061 6.385 0.072 291 HB2 TRP 461 HB2 TRP 461 11.497 0.711 -1.732 292 HB3 TRP 461 HB1 TRP 461 12.347 0.794 -3.272 293 H GLU 462 HN GLU 462 8.912 2.491 -4.636 294 HA GLU 462 HA GLU 462 10.464 2.439 -7.077 295 HB2 GLU 462 HB2 GLU 462 8.904 0.555 -7.370 296 HB3 GLU 462 HB1 GLU 462 7.548 1.639 -7.094 297 HG2 GLU 462 HG2 GLU 462 8.035 2.852 -9.104 298 HG3 GLU 462 HG1 GLU 462 9.517 1.928 -9.348 299 H GLY 463 HN GLY 463 10.558 4.383 -7.933 300 HA2 GLY 463 HA2 GLY 463 10.085 6.568 -8.457 301 HA3 GLY 463 HA1 GLY 463 8.406 6.232 -8.067 302 H GLY 464 HN GLY 464 7.943 6.077 -5.700 303 HA2 GLY 464 HA2 GLY 464 9.618 7.244 -3.761 304 HA3 GLY 464 HA1 GLY 464 8.516 8.473 -4.376 305 H THR 465 HN THR 465 7.714 5.092 -4.201 306 HA THR 465 HA THR 465 6.108 5.430 -1.812 307 HB THR 465 HB THR 465 4.950 4.816 -4.510 308 HG1 THR 465 HG1 THR 465 4.988 7.032 -2.848 309 HG21 THR 465 HG21 THR 465 3.983 4.189 -1.813 310 HG22 THR 465 HG22 THR 465 3.584 3.449 -3.363 311 HG23 THR 465 HG23 THR 465 2.807 4.956 -2.878 312 H CYS 466 HN CYS 466 5.923 3.566 -0.698 313 HA CYS 466 HA CYS 466 7.289 1.228 -1.728 314 HB2 CYS 466 HB2 CYS 466 7.567 2.114 0.630 315 HB3 CYS 466 HB1 CYS 466 5.927 1.566 0.946 316 H LYS 467 HN LYS 467 6.241 -0.447 -2.692 317 HA LYS 467 HA LYS 467 3.499 -1.078 -1.982 318 HB2 LYS 467 HB2 LYS 467 2.649 -0.830 -4.284 319 HB3 LYS 467 HB1 LYS 467 3.151 0.705 -3.592 320 HG2 LYS 467 HG2 LYS 467 5.223 0.620 -4.859 321 HG3 LYS 467 HG1 LYS 467 4.759 -0.948 -5.528 322 HD2 LYS 467 HD2 LYS 467 2.778 0.098 -6.549 323 HD3 LYS 467 HD1 LYS 467 3.295 1.662 -5.916 324 HE2 LYS 467 HE2 LYS 467 3.942 1.484 -8.229 325 HE3 LYS 467 HE1 LYS 467 5.384 1.460 -7.213 326 HZ1 LYS 467 HZ1 LYS 467 4.262 -0.632 -8.896 327 HZ2 LYS 467 HZ2 LYS 467 4.905 -1.140 -7.412 328 HZ3 LYS 467 HZ3 LYS 467 5.879 -0.295 -8.512 329 H ASP 468 HN ASP 468 2.872 -3.133 -2.561 330 HA ASP 468 HA ASP 468 4.928 -5.017 -2.809 331 HB2 ASP 468 HB2 ASP 468 3.221 -6.690 -2.795 332 HB3 ASP 468 HB1 ASP 468 2.683 -5.396 -1.734 Start of MODEL 31 1 H1 GLY 421 HT1 GLY 421 -12.621 25.396 -26.899 2 H2 GLY 421 HT2 GLY 421 -13.517 26.536 -26.021 3 H3 GLY 421 HT3 GLY 421 -14.145 24.985 -26.286 4 HA2 GLY 421 HA1 GLY 421 -13.041 24.083 -24.587 5 HA3 GLY 421 HA2 GLY 421 -11.575 24.972 -24.991 6 H THR 422 HN THR 422 -10.997 25.874 -23.094 7 HA THR 422 HA THR 422 -12.971 27.059 -21.349 8 HB THR 422 HB THR 422 -10.921 27.721 -20.000 9 HG1 THR 422 HG1 THR 422 -9.605 25.986 -21.858 10 HG21 THR 422 HG21 THR 422 -12.094 25.809 -19.284 11 HG22 THR 422 HG22 THR 422 -10.411 25.293 -19.405 12 HG23 THR 422 HG23 THR 422 -11.559 24.861 -20.672 13 H LYS 423 HN LYS 423 -10.797 29.142 -20.641 14 HA LYS 423 HA LYS 423 -10.849 30.972 -22.864 15 HB2 LYS 423 HB2 LYS 423 -13.089 31.366 -22.009 16 HB3 LYS 423 HB1 LYS 423 -12.469 31.553 -20.375 17 HG2 LYS 423 HG2 LYS 423 -11.222 33.553 -21.117 18 HG3 LYS 423 HG1 LYS 423 -11.970 33.390 -22.707 19 HD2 LYS 423 HD2 LYS 423 -14.175 33.669 -21.713 20 HD3 LYS 423 HD1 LYS 423 -13.453 33.763 -20.105 21 HE2 LYS 423 HE2 LYS 423 -12.244 35.779 -20.760 22 HE3 LYS 423 HE1 LYS 423 -12.951 35.687 -22.373 23 HZ1 LYS 423 HZ1 LYS 423 -15.098 36.091 -21.487 24 HZ2 LYS 423 HZ2 LYS 423 -14.066 37.260 -20.827 25 HZ3 LYS 423 HZ3 LYS 423 -14.553 35.938 -19.890 26 H ALA 424 HN ALA 424 -10.542 30.839 -19.328 27 HA ALA 424 HA ALA 424 -8.197 32.570 -19.423 28 HB1 ALA 424 HB1 ALA 424 -9.954 31.507 -17.252 29 HB2 ALA 424 HB2 ALA 424 -9.489 33.173 -17.605 30 HB3 ALA 424 HB3 ALA 424 -8.327 32.068 -16.864 31 H SER 425 HN SER 425 -9.173 29.319 -18.521 32 HA SER 425 HA SER 425 -8.091 27.343 -18.394 33 HG SER 425 HG SER 425 -8.066 27.543 -20.835 34 HB2 SER 425 HB2 SER 425 -5.732 28.714 -19.701 35 HB3 SER 425 HB1 SER 425 -6.071 26.984 -19.661 36 H LYS 426 HN LYS 426 -7.243 26.404 -16.646 37 HA LYS 426 HA LYS 426 -5.926 28.029 -14.687 38 HB2 LYS 426 HB2 LYS 426 -5.802 25.936 -13.350 39 HB3 LYS 426 HB1 LYS 426 -7.422 26.346 -13.885 40 HG2 LYS 426 HG2 LYS 426 -7.414 24.112 -14.294 41 HG3 LYS 426 HG1 LYS 426 -6.833 24.702 -15.852 42 HD2 LYS 426 HD2 LYS 426 -4.546 24.236 -15.217 43 HD3 LYS 426 HD1 LYS 426 -5.063 23.763 -13.596 44 HE2 LYS 426 HE2 LYS 426 -4.640 21.801 -14.962 45 HE3 LYS 426 HE1 LYS 426 -6.350 21.916 -14.553 46 HZ1 LYS 426 HZ1 LYS 426 -5.705 23.225 -17.023 47 HZ2 LYS 426 HZ2 LYS 426 -6.906 22.078 -16.687 48 HZ3 LYS 426 HZ3 LYS 426 -5.330 21.571 -17.044 49 H SER 427 HN SER 427 -4.927 25.903 -17.202 50 HA SER 427 HA SER 427 -2.915 25.366 -18.079 51 HG SER 427 HG SER 427 -2.514 27.958 -19.227 52 HB2 SER 427 HB2 SER 427 -1.961 27.779 -16.521 53 HB3 SER 427 HB1 SER 427 -1.145 27.040 -17.900 54 H GLY 428 HN GLY 428 -2.713 23.396 -17.017 55 HA2 GLY 428 HA2 GLY 428 -0.315 23.040 -15.615 56 HA3 GLY 428 HA1 GLY 428 -1.631 23.014 -14.447 57 H VAL 429 HN VAL 429 0.302 21.038 -16.033 58 HA VAL 429 HA VAL 429 -1.379 19.199 -17.327 59 HB VAL 429 HB VAL 429 0.469 17.534 -16.940 60 HG11 VAL 429 HG11 VAL 429 2.194 19.313 -18.073 61 HG12 VAL 429 HG12 VAL 429 0.638 20.096 -18.348 62 HG13 VAL 429 HG13 VAL 429 0.916 18.458 -18.935 63 HG21 VAL 429 HG21 VAL 429 1.784 19.880 -15.571 64 HG22 VAL 429 HG22 VAL 429 2.574 18.361 -15.998 65 HG23 VAL 429 HG23 VAL 429 1.278 18.374 -14.800 66 HA PRO 430 HA PRO 430 -3.607 17.394 -14.006 67 HB2 PRO 430 HB2 PRO 430 -3.774 14.966 -15.675 68 HB3 PRO 430 HB1 PRO 430 -5.068 16.005 -15.069 69 HG2 PRO 430 HG2 PRO 430 -4.378 16.005 -17.658 70 HG3 PRO 430 HG1 PRO 430 -4.882 17.491 -16.831 71 HD2 PRO 430 HD2 PRO 430 -2.125 16.559 -17.542 72 HD3 PRO 430 HD1 PRO 430 -2.825 18.188 -17.642 73 H VAL 431 HN VAL 431 -3.245 16.090 -12.278 74 HA VAL 431 HA VAL 431 -0.689 14.752 -12.095 75 HB VAL 431 HB VAL 431 -2.911 14.751 -10.044 76 HG11 VAL 431 HG11 VAL 431 -0.761 13.202 -10.006 77 HG12 VAL 431 HG12 VAL 431 -1.410 13.928 -8.536 78 HG13 VAL 431 HG13 VAL 431 -0.025 14.663 -9.345 79 HG21 VAL 431 HG21 VAL 431 -2.566 17.019 -10.259 80 HG22 VAL 431 HG22 VAL 431 -0.870 16.826 -10.708 81 HG23 VAL 431 HG23 VAL 431 -1.369 16.605 -9.031 82 H THR 432 HN THR 432 -1.426 13.380 -13.957 83 HA THR 432 HA THR 432 -3.438 11.424 -13.598 84 HB THR 432 HB THR 432 -2.267 10.410 -15.676 85 HG1 THR 432 HG1 THR 432 -0.445 11.336 -16.182 86 HG21 THR 432 HG21 THR 432 -3.018 13.129 -16.438 87 HG22 THR 432 HG22 THR 432 -4.172 12.370 -15.341 88 HG23 THR 432 HG23 THR 432 -3.760 11.587 -16.866 89 H GLN 433 HN GLN 433 -2.263 10.913 -11.390 90 HA GLN 433 HA GLN 433 -1.041 8.312 -11.809 91 HB2 GLN 433 HB2 GLN 433 0.667 8.752 -10.018 92 HB3 GLN 433 HB1 GLN 433 0.946 9.604 -11.528 93 HG2 GLN 433 HG2 GLN 433 0.092 11.651 -10.578 94 HG3 GLN 433 HG1 GLN 433 -0.324 10.818 -9.085 95 HE21 GLN 433 HE21 GLN 433 1.905 12.765 -10.493 96 HE22 GLN 433 HE22 GLN 433 3.276 12.397 -9.504 97 H THR 434 HN THR 434 -2.257 10.684 -9.476 98 HA THR 434 HA THR 434 -3.290 8.533 -7.799 99 HB THR 434 HB THR 434 -2.375 10.439 -6.584 100 HG1 THR 434 HG1 THR 434 -4.703 11.111 -5.697 101 HG21 THR 434 HG21 THR 434 -2.519 12.415 -7.656 102 HG22 THR 434 HG22 THR 434 -4.063 12.551 -6.813 103 HG23 THR 434 HG23 THR 434 -4.017 11.978 -8.479 104 H GLN 435 HN GLN 435 -5.365 7.876 -7.880 105 HA GLN 435 HA GLN 435 -7.508 9.405 -8.951 106 HB2 GLN 435 HB2 GLN 435 -6.317 8.951 -11.051 107 HB3 GLN 435 HB1 GLN 435 -6.360 7.228 -10.710 108 HG2 GLN 435 HG2 GLN 435 -8.694 7.121 -11.023 109 HG3 GLN 435 HG1 GLN 435 -8.849 8.879 -11.013 110 HE21 GLN 435 HE21 GLN 435 -9.347 9.573 -12.955 111 HE22 GLN 435 HE22 GLN 435 -8.660 9.022 -14.448 112 H THR 436 HN THR 436 -9.247 8.702 -8.021 113 HA THR 436 HA THR 436 -10.546 7.514 -6.584 114 HB THR 436 HB THR 436 -11.371 6.907 -8.797 115 HG1 THR 436 HG1 THR 436 -12.030 5.823 -6.617 116 HG21 THR 436 HG21 THR 436 -10.855 4.726 -9.794 117 HG22 THR 436 HG22 THR 436 -9.632 4.459 -8.554 118 HG23 THR 436 HG23 THR 436 -9.431 5.765 -9.719 119 H ALA 437 HN ALA 437 -8.138 7.393 -5.517 120 HA ALA 437 HA ALA 437 -7.029 6.392 -3.829 121 HB1 ALA 437 HB1 ALA 437 -9.484 4.852 -3.957 122 HB2 ALA 437 HB2 ALA 437 -8.575 5.429 -2.559 123 HB3 ALA 437 HB3 ALA 437 -8.122 3.914 -3.340 124 H GLY 438 HN GLY 438 -7.876 4.001 -6.341 125 HA2 GLY 438 HA2 GLY 438 -6.505 2.609 -7.566 126 HA3 GLY 438 HA1 GLY 438 -5.133 3.518 -6.953 127 H ALA 439 HN ALA 439 -3.786 1.877 -6.406 128 HA ALA 439 HA ALA 439 -2.914 0.110 -5.261 129 HB1 ALA 439 HB1 ALA 439 -4.073 0.035 -2.817 130 HB2 ALA 439 HB2 ALA 439 -4.506 1.666 -3.336 131 HB3 ALA 439 HB3 ALA 439 -2.810 1.178 -3.282 132 H ASP 440 HN ASP 440 -4.561 -0.939 -7.006 133 HA ASP 440 HA ASP 440 -6.752 -2.377 -5.929 134 HB2 ASP 440 HB2 ASP 440 -5.248 -2.611 -8.527 135 HB3 ASP 440 HB1 ASP 440 -6.581 -3.686 -8.123 136 H THR 441 HN THR 441 -3.522 -3.393 -6.908 137 HA THR 441 HA THR 441 -3.961 -6.082 -6.045 138 HB THR 441 HB THR 441 -1.277 -4.836 -6.618 139 HG1 THR 441 HG1 THR 441 -2.556 -4.362 -8.399 140 HG21 THR 441 HG21 THR 441 -1.457 -7.408 -7.677 141 HG22 THR 441 HG22 THR 441 -2.259 -7.512 -6.108 142 HG23 THR 441 HG23 THR 441 -0.598 -6.929 -6.211 143 H THR 442 HN THR 442 -1.832 -3.475 -4.841 144 HA THR 442 HA THR 442 -1.378 -4.949 -2.387 145 HB THR 442 HB THR 442 0.475 -3.681 -3.427 146 HG1 THR 442 HG1 THR 442 1.035 -3.835 -1.407 147 HG21 THR 442 HG21 THR 442 0.285 -1.104 -2.722 148 HG22 THR 442 HG22 THR 442 -1.407 -1.428 -3.094 149 HG23 THR 442 HG23 THR 442 -0.169 -1.703 -4.316 150 H ALA 443 HN ALA 443 -2.464 -4.660 -0.534 151 HA ALA 443 HA ALA 443 -4.675 -2.807 -0.473 152 HB1 ALA 443 HB1 ALA 443 -4.478 -3.960 2.041 153 HB2 ALA 443 HB2 ALA 443 -3.906 -5.210 0.935 154 HB3 ALA 443 HB3 ALA 443 -5.504 -4.497 0.711 155 H GLU 444 HN GLU 444 -2.221 -1.512 -0.631 156 HA GLU 444 HA GLU 444 -0.916 0.088 0.254 157 HB2 GLU 444 HB2 GLU 444 -3.210 1.060 0.495 158 HB3 GLU 444 HB1 GLU 444 -3.192 0.549 2.176 159 HG2 GLU 444 HG2 GLU 444 -1.280 1.966 2.598 160 HG3 GLU 444 HG1 GLU 444 -1.221 2.418 0.894 161 H LYS 445 HN LYS 445 -0.304 -2.399 1.127 162 HA LYS 445 HA LYS 445 -0.005 -2.681 3.930 163 HB2 LYS 445 HB2 LYS 445 1.821 -3.725 1.757 164 HB3 LYS 445 HB1 LYS 445 1.674 -4.349 3.391 165 HG2 LYS 445 HG2 LYS 445 -0.405 -5.328 2.949 166 HG3 LYS 445 HG1 LYS 445 -0.629 -4.384 1.470 167 HD2 LYS 445 HD2 LYS 445 0.027 -6.771 1.075 168 HD3 LYS 445 HD1 LYS 445 1.116 -5.586 0.351 169 HE2 LYS 445 HE2 LYS 445 2.540 -5.822 2.429 170 HE3 LYS 445 HE1 LYS 445 1.536 -7.207 2.852 171 HZ1 LYS 445 HZ1 LYS 445 3.758 -7.410 1.445 172 HZ2 LYS 445 HZ2 LYS 445 2.662 -7.189 0.165 173 HZ3 LYS 445 HZ3 LYS 445 2.450 -8.474 1.253 174 H CYS 446 HN CYS 446 1.878 -1.296 1.365 175 HA CYS 446 HA CYS 446 3.931 -0.488 3.279 176 HB2 CYS 446 HB2 CYS 446 4.109 -1.249 0.368 177 HB3 CYS 446 HB1 CYS 446 5.473 -0.723 1.345 178 H LYS 447 HN LYS 447 1.600 0.850 1.179 179 HA LYS 447 HA LYS 447 3.125 3.057 0.230 180 HB2 LYS 447 HB2 LYS 447 1.065 2.501 -0.898 181 HB3 LYS 447 HB1 LYS 447 0.143 2.729 0.584 182 HG2 LYS 447 HG2 LYS 447 0.729 5.111 0.574 183 HG3 LYS 447 HG1 LYS 447 1.624 4.873 -0.925 184 HD2 LYS 447 HD2 LYS 447 -0.390 4.287 -2.097 185 HD3 LYS 447 HD1 LYS 447 -1.320 4.325 -0.595 186 HE2 LYS 447 HE2 LYS 447 -0.939 6.690 -0.372 187 HE3 LYS 447 HE1 LYS 447 0.135 6.687 -1.770 188 HZ1 LYS 447 HZ1 LYS 447 -2.567 7.153 -1.773 189 HZ2 LYS 447 HZ2 LYS 447 -2.410 5.593 -2.414 190 HZ3 LYS 447 HZ3 LYS 447 -1.586 6.887 -3.130 191 H GLY 448 HN GLY 448 4.158 4.319 1.650 192 HA2 GLY 448 HA2 GLY 448 3.363 6.344 3.034 193 HA3 GLY 448 HA1 GLY 448 2.709 5.100 4.085 194 H LYS 449 HN LYS 449 5.087 3.329 3.521 195 HA LYS 449 HA LYS 449 6.671 4.518 5.642 196 HB2 LYS 449 HB2 LYS 449 7.895 2.317 5.614 197 HB3 LYS 449 HB1 LYS 449 6.192 2.252 6.038 198 HG2 LYS 449 HG2 LYS 449 5.635 1.416 3.848 199 HG3 LYS 449 HG1 LYS 449 7.309 1.603 3.319 200 HD2 LYS 449 HD2 LYS 449 6.788 -0.723 3.897 201 HD3 LYS 449 HD1 LYS 449 8.035 -0.050 4.942 202 HE2 LYS 449 HE2 LYS 449 6.549 -1.291 6.326 203 HE3 LYS 449 HE1 LYS 449 6.242 0.418 6.632 204 HZ1 LYS 449 HZ1 LYS 449 4.604 -1.409 4.958 205 HZ2 LYS 449 HZ2 LYS 449 4.333 0.259 5.103 206 HZ3 LYS 449 HZ3 LYS 449 4.172 -0.745 6.456 207 H GLY 450 HN GLY 450 8.944 4.669 5.610 208 HA2 GLY 450 HA2 GLY 450 9.864 6.041 3.310 209 HA3 GLY 450 HA1 GLY 450 10.825 5.645 4.726 210 H GLU 451 HN GLU 451 12.236 5.563 2.552 211 HA GLU 451 HA GLU 451 12.067 3.240 0.970 212 HB2 GLU 451 HB2 GLU 451 13.301 5.243 0.269 213 HB3 GLU 451 HB1 GLU 451 14.479 4.970 1.546 214 HG2 GLU 451 HG2 GLU 451 15.090 2.835 0.496 215 HG3 GLU 451 HG1 GLU 451 13.947 3.166 -0.803 216 H LYS 452 HN LYS 452 14.209 3.994 3.728 217 HA LYS 452 HA LYS 452 15.371 1.409 3.798 218 HB2 LYS 452 HB2 LYS 452 16.276 2.046 5.975 219 HB3 LYS 452 HB1 LYS 452 16.484 3.340 4.806 220 HG2 LYS 452 HG2 LYS 452 14.610 4.545 5.780 221 HG3 LYS 452 HG1 LYS 452 14.347 3.228 6.927 222 HD2 LYS 452 HD2 LYS 452 16.845 4.909 6.718 223 HD3 LYS 452 HD1 LYS 452 15.592 5.079 7.949 224 HE2 LYS 452 HE2 LYS 452 16.068 2.882 8.808 225 HE3 LYS 452 HE1 LYS 452 17.193 2.569 7.488 226 HZ1 LYS 452 HZ1 LYS 452 18.652 3.184 9.087 227 HZ2 LYS 452 HZ2 LYS 452 17.553 4.197 9.891 228 HZ3 LYS 452 HZ3 LYS 452 18.312 4.726 8.468 229 H ASP 453 HN ASP 453 12.510 2.786 5.211 230 HA ASP 453 HA ASP 453 11.971 0.694 7.067 231 HB2 ASP 453 HB2 ASP 453 10.004 2.603 5.777 232 HB3 ASP 453 HB1 ASP 453 9.746 1.668 7.246 233 H CYS 454 HN CYS 454 11.229 1.316 3.726 234 HA CYS 454 HA CYS 454 9.263 -0.617 3.265 235 HB2 CYS 454 HB2 CYS 454 9.917 1.228 1.699 236 HB3 CYS 454 HB1 CYS 454 11.410 0.360 1.366 237 H LYS 455 HN LYS 455 9.408 -2.769 3.520 238 HA LYS 455 HA LYS 455 12.002 -4.072 3.592 239 HB2 LYS 455 HB2 LYS 455 9.224 -5.259 3.824 240 HB3 LYS 455 HB1 LYS 455 10.733 -6.102 4.148 241 HG2 LYS 455 HG2 LYS 455 11.189 -4.521 5.982 242 HG3 LYS 455 HG1 LYS 455 9.629 -3.756 5.678 243 HD2 LYS 455 HD2 LYS 455 10.068 -6.630 6.491 244 HD3 LYS 455 HD1 LYS 455 9.504 -5.334 7.544 245 HE2 LYS 455 HE2 LYS 455 8.080 -6.358 5.091 246 HE3 LYS 455 HE1 LYS 455 7.664 -6.757 6.754 247 HZ1 LYS 455 HZ1 LYS 455 6.522 -4.880 6.962 248 HZ2 LYS 455 HZ2 LYS 455 6.675 -4.677 5.286 249 HZ3 LYS 455 HZ3 LYS 455 7.783 -3.933 6.333 250 H SER 456 HN SER 456 12.947 -4.961 1.893 251 HA SER 456 HA SER 456 11.932 -4.539 -0.652 252 HG SER 456 HG SER 456 15.475 -4.579 -0.259 253 HB2 SER 456 HB2 SER 456 14.134 -6.494 0.037 254 HB3 SER 456 HB1 SER 456 13.910 -5.627 -1.483 255 HA PRO 457 HA PRO 457 11.064 -9.291 -1.142 256 HB2 PRO 457 HB2 PRO 457 10.535 -10.610 1.211 257 HB3 PRO 457 HB1 PRO 457 12.086 -10.668 0.366 258 HG2 PRO 457 HG2 PRO 457 11.260 -9.020 2.714 259 HG3 PRO 457 HG1 PRO 457 12.805 -9.834 2.402 260 HD2 PRO 457 HD2 PRO 457 12.480 -7.178 2.059 261 HD3 PRO 457 HD1 PRO 457 13.558 -8.137 1.024 262 H ASP 458 HN ASP 458 9.751 -7.359 1.444 263 HA ASP 458 HA ASP 458 7.074 -8.371 1.243 264 HB2 ASP 458 HB2 ASP 458 7.977 -7.335 3.313 265 HB3 ASP 458 HB1 ASP 458 8.063 -5.792 2.472 266 H CYS 459 HN CYS 459 8.703 -5.348 0.226 267 HA CYS 459 HA CYS 459 6.736 -5.050 -1.913 268 HB2 CYS 459 HB2 CYS 459 7.154 -3.045 0.307 269 HB3 CYS 459 HB1 CYS 459 6.390 -2.639 -1.228 270 H LYS 460 HN LYS 460 7.369 -3.690 -3.573 271 HA LYS 460 HA LYS 460 10.247 -3.181 -3.704 272 HB2 LYS 460 HB2 LYS 460 9.174 -4.426 -5.554 273 HB3 LYS 460 HB1 LYS 460 8.127 -3.049 -5.864 274 HG2 LYS 460 HG2 LYS 460 9.891 -3.066 -7.477 275 HG3 LYS 460 HG1 LYS 460 10.136 -1.701 -6.387 276 HD2 LYS 460 HD2 LYS 460 11.849 -2.884 -5.192 277 HD3 LYS 460 HD1 LYS 460 11.512 -4.366 -6.089 278 HE2 LYS 460 HE2 LYS 460 12.526 -1.796 -7.297 279 HE3 LYS 460 HE1 LYS 460 13.529 -3.187 -6.893 280 HZ1 LYS 460 HZ1 LYS 460 11.357 -4.026 -8.488 281 HZ2 LYS 460 HZ2 LYS 460 13.017 -4.108 -8.825 282 HZ3 LYS 460 HZ3 LYS 460 12.132 -2.722 -9.251 283 H TRP 461 HN TRP 461 11.096 -1.150 -3.924 284 HA TRP 461 HA TRP 461 9.426 1.094 -3.222 285 HD1 TRP 461 HD1 TRP 461 12.881 3.622 -4.441 286 HE1 TRP 461 HE1 TRP 461 12.371 5.807 -3.182 287 HE3 TRP 461 HE3 TRP 461 9.707 1.782 -0.893 288 HZ2 TRP 461 HZ2 TRP 461 10.819 6.628 -0.969 289 HZ3 TRP 461 HZ3 TRP 461 8.755 3.327 0.752 290 HH2 TRP 461 HH2 TRP 461 9.297 5.706 0.714 291 HB2 TRP 461 HB2 TRP 461 11.857 0.722 -2.506 292 HB3 TRP 461 HB1 TRP 461 12.302 1.165 -4.150 293 H GLU 462 HN GLU 462 8.265 2.201 -4.711 294 HA GLU 462 HA GLU 462 9.389 2.627 -7.374 295 HB2 GLU 462 HB2 GLU 462 8.041 0.471 -7.369 296 HB3 GLU 462 HB1 GLU 462 6.623 1.455 -7.039 297 HG2 GLU 462 HG2 GLU 462 8.306 2.153 -9.386 298 HG3 GLU 462 HG1 GLU 462 7.278 0.727 -9.483 299 H GLY 463 HN GLY 463 8.959 4.587 -8.114 300 HA2 GLY 463 HA2 GLY 463 8.137 6.726 -8.236 301 HA3 GLY 463 HA1 GLY 463 6.581 6.037 -7.799 302 H GLY 464 HN GLY 464 9.526 6.005 -5.870 303 HA2 GLY 464 HA2 GLY 464 9.986 6.835 -3.779 304 HA3 GLY 464 HA1 GLY 464 8.937 8.185 -4.187 305 H THR 465 HN THR 465 7.897 4.840 -4.099 306 HA THR 465 HA THR 465 6.562 5.191 -1.545 307 HB THR 465 HB THR 465 5.075 4.641 -4.093 308 HG1 THR 465 HG1 THR 465 5.755 6.936 -3.107 309 HG21 THR 465 HG21 THR 465 3.059 4.784 -2.602 310 HG22 THR 465 HG22 THR 465 4.166 4.708 -1.229 311 HG23 THR 465 HG23 THR 465 4.069 3.358 -2.360 312 H CYS 466 HN CYS 466 6.326 3.297 -0.471 313 HA CYS 466 HA CYS 466 7.574 0.965 -1.600 314 HB2 CYS 466 HB2 CYS 466 7.808 1.709 0.795 315 HB3 CYS 466 HB1 CYS 466 6.138 1.214 1.042 316 H LYS 467 HN LYS 467 6.543 -0.623 -2.702 317 HA LYS 467 HA LYS 467 3.782 -1.303 -2.136 318 HB2 LYS 467 HB2 LYS 467 2.967 -0.757 -4.396 319 HB3 LYS 467 HB1 LYS 467 3.494 0.682 -3.533 320 HG2 LYS 467 HG2 LYS 467 5.636 0.588 -4.753 321 HG3 LYS 467 HG1 LYS 467 5.026 -0.791 -5.664 322 HD2 LYS 467 HD2 LYS 467 4.701 1.111 -7.029 323 HD3 LYS 467 HD1 LYS 467 3.114 0.683 -6.389 324 HE2 LYS 467 HE2 LYS 467 3.209 2.443 -4.781 325 HE3 LYS 467 HE1 LYS 467 4.900 2.775 -5.157 326 HZ1 LYS 467 HZ1 LYS 467 3.692 4.414 -6.278 327 HZ2 LYS 467 HZ2 LYS 467 2.510 3.318 -6.816 328 HZ3 LYS 467 HZ3 LYS 467 4.074 3.281 -7.482 329 H ASP 468 HN ASP 468 3.335 -3.372 -2.696 330 HA ASP 468 HA ASP 468 5.399 -4.827 -4.174 331 HB2 ASP 468 HB2 ASP 468 4.343 -6.866 -3.232 332 HB3 ASP 468 HB1 ASP 468 4.966 -5.782 -2.001 Start of MODEL 32 1 H1 GLY 421 HT1 GLY 421 -44.439 17.649 -16.126 2 H2 GLY 421 HT2 GLY 421 -45.078 16.498 -17.195 3 H3 GLY 421 HT3 GLY 421 -44.703 18.057 -17.753 4 HA2 GLY 421 HA1 GLY 421 -42.939 15.802 -17.180 5 HA3 GLY 421 HA2 GLY 421 -42.887 16.951 -18.510 6 H THR 422 HN THR 422 -42.908 19.355 -17.178 7 HA THR 422 HA THR 422 -40.189 19.587 -16.409 8 HB THR 422 HB THR 422 -42.351 21.629 -15.882 9 HG1 THR 422 HG1 THR 422 -41.675 20.539 -18.234 10 HG21 THR 422 HG21 THR 422 -40.429 23.175 -16.513 11 HG22 THR 422 HG22 THR 422 -39.380 21.764 -16.365 12 HG23 THR 422 HG23 THR 422 -40.289 22.338 -14.967 13 H LYS 423 HN LYS 423 -39.256 19.442 -14.452 14 HA LYS 423 HA LYS 423 -40.713 19.894 -12.006 15 HB2 LYS 423 HB2 LYS 423 -40.154 17.527 -11.171 16 HB3 LYS 423 HB1 LYS 423 -41.537 17.717 -12.236 17 HG2 LYS 423 HG2 LYS 423 -40.457 15.810 -13.023 18 HG3 LYS 423 HG1 LYS 423 -39.949 17.083 -14.134 19 HD2 LYS 423 HD2 LYS 423 -37.849 17.318 -12.850 20 HD3 LYS 423 HD1 LYS 423 -38.359 15.981 -11.814 21 HE2 LYS 423 HE2 LYS 423 -38.469 14.535 -13.820 22 HE3 LYS 423 HE1 LYS 423 -37.833 15.871 -14.782 23 HZ1 LYS 423 HZ1 LYS 423 -35.778 15.384 -14.137 24 HZ2 LYS 423 HZ2 LYS 423 -36.381 13.971 -13.423 25 HZ3 LYS 423 HZ3 LYS 423 -36.208 15.378 -12.496 26 H ALA 424 HN ALA 424 -38.436 20.997 -13.232 27 HA ALA 424 HA ALA 424 -36.400 21.814 -12.692 28 HB1 ALA 424 HB1 ALA 424 -37.487 21.138 -10.224 29 HB2 ALA 424 HB2 ALA 424 -36.085 22.165 -10.525 30 HB3 ALA 424 HB3 ALA 424 -35.864 20.445 -10.209 31 H SER 425 HN SER 425 -34.244 21.276 -12.958 32 HA SER 425 HA SER 425 -33.688 18.935 -14.336 33 HG SER 425 HG SER 425 -31.696 21.977 -14.614 34 HB2 SER 425 HB2 SER 425 -31.676 20.640 -12.854 35 HB3 SER 425 HB1 SER 425 -31.375 19.623 -14.266 36 H LYS 426 HN LYS 426 -32.844 16.979 -13.812 37 HA LYS 426 HA LYS 426 -33.389 15.848 -11.359 38 HB2 LYS 426 HB2 LYS 426 -33.067 14.527 -13.384 39 HB3 LYS 426 HB1 LYS 426 -31.363 14.957 -13.420 40 HG2 LYS 426 HG2 LYS 426 -31.018 13.759 -11.317 41 HG3 LYS 426 HG1 LYS 426 -32.728 13.325 -11.289 42 HD2 LYS 426 HD2 LYS 426 -30.802 12.569 -13.482 43 HD3 LYS 426 HD1 LYS 426 -31.259 11.516 -12.142 44 HE2 LYS 426 HE2 LYS 426 -33.600 11.631 -12.863 45 HE3 LYS 426 HE1 LYS 426 -33.133 12.673 -14.206 46 HZ1 LYS 426 HZ1 LYS 426 -32.670 9.800 -13.832 47 HZ2 LYS 426 HZ2 LYS 426 -31.540 10.689 -14.730 48 HZ3 LYS 426 HZ3 LYS 426 -33.162 10.642 -15.218 49 H SER 427 HN SER 427 -32.492 15.926 -9.450 50 HA SER 427 HA SER 427 -29.652 16.035 -9.031 51 HG SER 427 HG SER 427 -30.056 17.995 -10.389 52 HB2 SER 427 HB2 SER 427 -31.361 18.375 -8.119 53 HB3 SER 427 HB1 SER 427 -29.664 18.124 -7.712 54 H GLY 428 HN GLY 428 -29.231 14.886 -7.229 55 HA2 GLY 428 HA2 GLY 428 -31.181 14.821 -5.046 56 HA3 GLY 428 HA1 GLY 428 -30.886 13.307 -5.890 57 H VAL 429 HN VAL 429 -28.517 15.801 -5.242 58 HA VAL 429 HA VAL 429 -27.484 14.830 -2.853 59 HB VAL 429 HB VAL 429 -26.824 12.825 -4.091 60 HG11 VAL 429 HG11 VAL 429 -26.157 12.897 -6.205 61 HG12 VAL 429 HG12 VAL 429 -24.715 13.795 -5.726 62 HG13 VAL 429 HG13 VAL 429 -26.189 14.661 -6.160 63 HG21 VAL 429 HG21 VAL 429 -24.878 14.642 -2.863 64 HG22 VAL 429 HG22 VAL 429 -24.171 13.370 -3.861 65 HG23 VAL 429 HG23 VAL 429 -25.231 12.948 -2.515 66 HA PRO 430 HA PRO 430 -25.869 18.914 -3.494 67 HB2 PRO 430 HB2 PRO 430 -24.423 18.483 -0.964 68 HB3 PRO 430 HB1 PRO 430 -25.675 19.667 -1.348 69 HG2 PRO 430 HG2 PRO 430 -26.147 17.577 0.275 70 HG3 PRO 430 HG1 PRO 430 -27.391 18.223 -0.812 71 HD2 PRO 430 HD2 PRO 430 -25.671 15.792 -1.124 72 HD3 PRO 430 HD1 PRO 430 -27.392 16.008 -1.503 73 H VAL 431 HN VAL 431 -23.828 16.255 -2.462 74 HA VAL 431 HA VAL 431 -21.719 15.613 -2.945 75 HB VAL 431 HB VAL 431 -21.668 17.655 -5.177 76 HG11 VAL 431 HG11 VAL 431 -19.849 16.549 -6.011 77 HG12 VAL 431 HG12 VAL 431 -20.323 15.004 -5.306 78 HG13 VAL 431 HG13 VAL 431 -19.600 16.253 -4.290 79 HG21 VAL 431 HG21 VAL 431 -22.532 15.966 -6.666 80 HG22 VAL 431 HG22 VAL 431 -23.672 16.205 -5.339 81 HG23 VAL 431 HG23 VAL 431 -22.614 14.794 -5.346 82 H THR 432 HN THR 432 -22.050 17.248 -0.887 83 HA THR 432 HA THR 432 -20.382 19.564 -0.919 84 HB THR 432 HB THR 432 -21.180 17.897 1.478 85 HG1 THR 432 HG1 THR 432 -22.572 19.875 -0.019 86 HG21 THR 432 HG21 THR 432 -20.638 20.858 1.333 87 HG22 THR 432 HG22 THR 432 -19.396 19.677 1.746 88 HG23 THR 432 HG23 THR 432 -20.817 19.858 2.774 89 H GLN 433 HN GLN 433 -19.987 16.187 -0.092 90 HA GLN 433 HA GLN 433 -17.091 16.501 -0.347 91 HB2 GLN 433 HB2 GLN 433 -17.884 16.321 2.107 92 HB3 GLN 433 HB1 GLN 433 -18.300 14.660 1.717 93 HG2 GLN 433 HG2 GLN 433 -15.538 15.763 1.310 94 HG3 GLN 433 HG1 GLN 433 -16.069 15.068 2.840 95 HE21 GLN 433 HE21 GLN 433 -14.312 14.393 0.266 96 HE22 GLN 433 HE22 GLN 433 -14.579 12.688 0.115 97 H THR 434 HN THR 434 -16.511 15.253 -2.004 98 HA THR 434 HA THR 434 -18.275 13.486 -3.281 99 HB THR 434 HB THR 434 -15.270 13.471 -3.595 100 HG1 THR 434 HG1 THR 434 -15.927 15.608 -3.804 101 HG21 THR 434 HG21 THR 434 -15.828 12.905 -5.936 102 HG22 THR 434 HG22 THR 434 -17.535 12.852 -5.494 103 HG23 THR 434 HG23 THR 434 -16.405 11.693 -4.791 104 H GLN 435 HN GLN 435 -18.910 11.554 -2.635 105 HA GLN 435 HA GLN 435 -17.895 10.150 -0.485 106 HB2 GLN 435 HB2 GLN 435 -20.128 9.780 -1.465 107 HB3 GLN 435 HB1 GLN 435 -19.385 9.000 -2.852 108 HG2 GLN 435 HG2 GLN 435 -20.254 7.343 -1.337 109 HG3 GLN 435 HG1 GLN 435 -18.494 7.251 -1.386 110 HE21 GLN 435 HE21 GLN 435 -21.110 7.218 0.594 111 HE22 GLN 435 HE22 GLN 435 -20.343 7.647 2.088 112 H THR 436 HN THR 436 -17.303 9.541 -3.936 113 HA THR 436 HA THR 436 -15.510 8.692 -5.032 114 HB THR 436 HB THR 436 -14.048 8.540 -2.396 115 HG1 THR 436 HG1 THR 436 -15.081 10.665 -3.065 116 HG21 THR 436 HG21 THR 436 -13.244 7.606 -4.780 117 HG22 THR 436 HG22 THR 436 -12.133 8.311 -3.603 118 HG23 THR 436 HG23 THR 436 -12.734 9.289 -4.945 119 H ALA 437 HN ALA 437 -16.275 7.075 -1.986 120 HA ALA 437 HA ALA 437 -16.598 4.911 -1.420 121 HB1 ALA 437 HB1 ALA 437 -16.780 3.637 -3.972 122 HB2 ALA 437 HB2 ALA 437 -17.641 5.174 -4.021 123 HB3 ALA 437 HB3 ALA 437 -18.053 3.970 -2.800 124 H GLY 438 HN GLY 438 -15.748 2.735 -3.459 125 HA2 GLY 438 HA2 GLY 438 -13.788 1.612 -4.043 126 HA3 GLY 438 HA1 GLY 438 -12.855 2.927 -3.340 127 H ALA 439 HN ALA 439 -12.873 -0.102 -3.037 128 HA ALA 439 HA ALA 439 -12.375 -0.111 -0.192 129 HB1 ALA 439 HB1 ALA 439 -13.931 -1.773 0.440 130 HB2 ALA 439 HB2 ALA 439 -14.381 -2.101 -1.231 131 HB3 ALA 439 HB3 ALA 439 -14.859 -0.583 -0.472 132 H ASP 440 HN ASP 440 -10.775 -1.490 0.281 133 HA ASP 440 HA ASP 440 -9.052 -2.934 -0.005 134 HB2 ASP 440 HB2 ASP 440 -11.236 -4.316 -1.498 135 HB3 ASP 440 HB1 ASP 440 -9.590 -4.902 -1.702 136 H THR 441 HN THR 441 -9.027 -0.600 -1.489 137 HA THR 441 HA THR 441 -8.220 -1.142 -4.197 138 HB THR 441 HB THR 441 -7.487 1.344 -2.665 139 HG1 THR 441 HG1 THR 441 -10.047 0.618 -3.713 140 HG21 THR 441 HG21 THR 441 -7.863 2.396 -4.871 141 HG22 THR 441 HG22 THR 441 -8.236 0.809 -5.540 142 HG23 THR 441 HG23 THR 441 -6.619 1.147 -4.926 143 H THR 442 HN THR 442 -6.665 -0.461 -1.114 144 HA THR 442 HA THR 442 -4.291 -1.911 -1.860 145 HB THR 442 HB THR 442 -3.953 1.002 -1.090 146 HG1 THR 442 HG1 THR 442 -4.428 -0.140 -3.558 147 HG21 THR 442 HG21 THR 442 -1.660 0.695 -1.557 148 HG22 THR 442 HG22 THR 442 -1.951 -0.851 -2.359 149 HG23 THR 442 HG23 THR 442 -2.138 -0.715 -0.610 150 H ALA 443 HN ALA 443 -3.701 -2.999 -0.070 151 HA ALA 443 HA ALA 443 -4.957 -2.619 2.423 152 HB1 ALA 443 HB1 ALA 443 -4.007 -4.768 1.583 153 HB2 ALA 443 HB2 ALA 443 -3.549 -4.374 3.238 154 HB3 ALA 443 HB3 ALA 443 -2.400 -4.132 1.924 155 H GLU 444 HN GLU 444 -1.858 -1.649 1.139 156 HA GLU 444 HA GLU 444 -0.330 -0.112 1.747 157 HB2 GLU 444 HB2 GLU 444 -2.638 0.933 3.381 158 HB3 GLU 444 HB1 GLU 444 -1.108 1.780 3.196 159 HG2 GLU 444 HG2 GLU 444 -1.500 1.695 0.712 160 HG3 GLU 444 HG1 GLU 444 -3.133 1.140 1.079 161 H LYS 445 HN LYS 445 -0.070 -2.497 3.061 162 HA LYS 445 HA LYS 445 0.634 -1.895 5.821 163 HB2 LYS 445 HB2 LYS 445 0.976 -4.344 4.092 164 HB3 LYS 445 HB1 LYS 445 1.744 -4.201 5.669 165 HG2 LYS 445 HG2 LYS 445 -1.219 -3.940 5.221 166 HG3 LYS 445 HG1 LYS 445 -0.415 -5.446 5.669 167 HD2 LYS 445 HD2 LYS 445 0.418 -4.386 7.719 168 HD3 LYS 445 HD1 LYS 445 -0.383 -2.881 7.263 169 HE2 LYS 445 HE2 LYS 445 -1.775 -5.511 7.770 170 HE3 LYS 445 HE1 LYS 445 -1.660 -4.185 8.927 171 HZ1 LYS 445 HZ1 LYS 445 -3.244 -4.375 6.463 172 HZ2 LYS 445 HZ2 LYS 445 -2.708 -2.845 6.967 173 HZ3 LYS 445 HZ3 LYS 445 -3.689 -3.781 7.989 174 H CYS 446 HN CYS 446 2.053 -2.166 2.655 175 HA CYS 446 HA CYS 446 4.673 -1.371 3.706 176 HB2 CYS 446 HB2 CYS 446 3.810 -2.405 1.002 177 HB3 CYS 446 HB1 CYS 446 5.408 -1.731 1.298 178 H LYS 447 HN LYS 447 2.176 -0.443 1.380 179 HA LYS 447 HA LYS 447 3.283 1.847 0.325 180 HB2 LYS 447 HB2 LYS 447 1.115 0.680 -0.308 181 HB3 LYS 447 HB1 LYS 447 0.359 1.534 1.024 182 HG2 LYS 447 HG2 LYS 447 1.790 3.026 -1.141 183 HG3 LYS 447 HG1 LYS 447 0.130 2.473 -1.354 184 HD2 LYS 447 HD2 LYS 447 -0.378 3.673 0.838 185 HD3 LYS 447 HD1 LYS 447 1.204 4.437 0.655 186 HE2 LYS 447 HE2 LYS 447 -0.455 5.911 -0.253 187 HE3 LYS 447 HE1 LYS 447 0.486 5.245 -1.587 188 HZ1 LYS 447 HZ1 LYS 447 -1.920 5.274 -2.031 189 HZ2 LYS 447 HZ2 LYS 447 -2.174 4.228 -0.718 190 HZ3 LYS 447 HZ3 LYS 447 -1.283 3.700 -2.065 191 H GLY 448 HN GLY 448 3.792 3.792 1.089 192 HA2 GLY 448 HA2 GLY 448 3.208 5.742 2.401 193 HA3 GLY 448 HA1 GLY 448 2.567 4.660 3.629 194 H LYS 449 HN LYS 449 4.922 2.846 3.345 195 HA LYS 449 HA LYS 449 6.507 4.100 5.359 196 HB2 LYS 449 HB2 LYS 449 6.910 1.523 3.832 197 HB3 LYS 449 HB1 LYS 449 7.922 2.047 5.171 198 HG2 LYS 449 HG2 LYS 449 5.801 2.140 6.547 199 HG3 LYS 449 HG1 LYS 449 5.027 1.273 5.224 200 HD2 LYS 449 HD2 LYS 449 7.472 0.306 6.701 201 HD3 LYS 449 HD1 LYS 449 5.822 -0.191 7.073 202 HE2 LYS 449 HE2 LYS 449 5.617 -1.052 4.749 203 HE3 LYS 449 HE1 LYS 449 7.319 -0.661 4.497 204 HZ1 LYS 449 HZ1 LYS 449 6.196 -2.954 5.694 205 HZ2 LYS 449 HZ2 LYS 449 7.155 -2.153 6.844 206 HZ3 LYS 449 HZ3 LYS 449 7.828 -2.627 5.360 207 H GLY 450 HN GLY 450 8.607 4.823 5.278 208 HA2 GLY 450 HA2 GLY 450 9.504 5.965 2.806 209 HA3 GLY 450 HA1 GLY 450 10.385 5.956 4.326 210 H GLU 451 HN GLU 451 11.950 5.583 2.228 211 HA GLU 451 HA GLU 451 12.117 3.039 1.103 212 HB2 GLU 451 HB2 GLU 451 13.330 4.993 0.263 213 HB3 GLU 451 HB1 GLU 451 14.377 4.963 1.675 214 HG2 GLU 451 HG2 GLU 451 15.103 2.675 0.980 215 HG3 GLU 451 HG1 GLU 451 14.191 2.906 -0.510 216 H LYS 452 HN LYS 452 13.427 4.244 4.134 217 HA LYS 452 HA LYS 452 15.061 1.989 4.692 218 HB2 LYS 452 HB2 LYS 452 13.879 4.077 6.531 219 HB3 LYS 452 HB1 LYS 452 15.083 2.888 7.015 220 HG2 LYS 452 HG2 LYS 452 16.699 3.816 5.517 221 HG3 LYS 452 HG1 LYS 452 15.494 4.899 4.818 222 HD2 LYS 452 HD2 LYS 452 15.268 6.031 6.982 223 HD3 LYS 452 HD1 LYS 452 16.490 4.955 7.666 224 HE2 LYS 452 HE2 LYS 452 17.395 7.164 7.000 225 HE3 LYS 452 HE1 LYS 452 18.161 5.812 6.164 226 HZ1 LYS 452 HZ1 LYS 452 17.499 7.831 4.790 227 HZ2 LYS 452 HZ2 LYS 452 15.900 7.286 4.955 228 HZ3 LYS 452 HZ3 LYS 452 17.056 6.307 4.192 229 H ASP 453 HN ASP 453 11.749 2.862 5.584 230 HA ASP 453 HA ASP 453 11.357 0.499 7.175 231 HB2 ASP 453 HB2 ASP 453 9.472 2.602 6.125 232 HB3 ASP 453 HB1 ASP 453 8.901 1.190 7.008 233 H CYS 454 HN CYS 454 10.677 1.482 3.880 234 HA CYS 454 HA CYS 454 9.192 -0.879 3.211 235 HB2 CYS 454 HB2 CYS 454 8.861 1.353 2.120 236 HB3 CYS 454 HB1 CYS 454 10.442 1.187 1.379 237 H LYS 455 HN LYS 455 10.360 -1.369 0.678 238 HA LYS 455 HA LYS 455 11.778 -2.794 -0.317 239 HB2 LYS 455 HB2 LYS 455 13.704 -1.592 1.646 240 HB3 LYS 455 HB1 LYS 455 14.179 -2.906 0.578 241 HG2 LYS 455 HG2 LYS 455 13.060 -0.274 -0.369 242 HG3 LYS 455 HG1 LYS 455 14.781 -0.651 -0.264 243 HD2 LYS 455 HD2 LYS 455 12.761 -2.168 -1.917 244 HD3 LYS 455 HD1 LYS 455 13.897 -0.971 -2.541 245 HE2 LYS 455 HE2 LYS 455 15.772 -2.340 -1.920 246 HE3 LYS 455 HE1 LYS 455 14.717 -3.484 -1.090 247 HZ1 LYS 455 HZ1 LYS 455 13.693 -4.003 -3.237 248 HZ2 LYS 455 HZ2 LYS 455 15.352 -4.341 -3.232 249 HZ3 LYS 455 HZ3 LYS 455 14.776 -2.955 -4.017 250 H SER 456 HN SER 456 10.048 -3.886 1.213 251 HA SER 456 HA SER 456 11.108 -5.709 3.142 252 HG SER 456 HG SER 456 8.855 -4.202 3.732 253 HB2 SER 456 HB2 SER 456 8.526 -6.152 1.699 254 HB3 SER 456 HB1 SER 456 8.908 -6.409 3.398 255 HA PRO 457 HA PRO 457 12.222 -8.958 0.265 256 HB2 PRO 457 HB2 PRO 457 11.381 -11.236 1.415 257 HB3 PRO 457 HB1 PRO 457 12.697 -10.279 2.106 258 HG2 PRO 457 HG2 PRO 457 9.848 -10.479 2.952 259 HG3 PRO 457 HG1 PRO 457 11.307 -10.307 3.942 260 HD2 PRO 457 HD2 PRO 457 9.567 -8.246 3.240 261 HD3 PRO 457 HD1 PRO 457 11.226 -8.036 3.834 262 H ASP 458 HN ASP 458 9.576 -7.628 0.020 263 HA ASP 458 HA ASP 458 8.442 -9.386 -1.979 264 HB2 ASP 458 HB2 ASP 458 7.391 -10.122 0.195 265 HB3 ASP 458 HB1 ASP 458 6.688 -8.514 0.326 266 H CYS 459 HN CYS 459 7.863 -6.473 -0.023 267 HA CYS 459 HA CYS 459 6.486 -5.124 -2.155 268 HB2 CYS 459 HB2 CYS 459 7.521 -4.049 0.479 269 HB3 CYS 459 HB1 CYS 459 6.424 -3.213 -0.613 270 H LYS 460 HN LYS 460 7.248 -3.587 -3.537 271 HA LYS 460 HA LYS 460 10.149 -3.085 -3.428 272 HB2 LYS 460 HB2 LYS 460 8.346 -3.271 -5.844 273 HB3 LYS 460 HB1 LYS 460 10.040 -2.804 -5.898 274 HG2 LYS 460 HG2 LYS 460 10.596 -5.021 -4.880 275 HG3 LYS 460 HG1 LYS 460 8.903 -5.468 -5.090 276 HD2 LYS 460 HD2 LYS 460 10.816 -4.665 -7.279 277 HD3 LYS 460 HD1 LYS 460 10.266 -6.306 -6.931 278 HE2 LYS 460 HE2 LYS 460 7.950 -5.586 -7.398 279 HE3 LYS 460 HE1 LYS 460 8.559 -3.988 -7.829 280 HZ1 LYS 460 HZ1 LYS 460 8.149 -5.509 -9.740 281 HZ2 LYS 460 HZ2 LYS 460 9.420 -6.486 -9.180 282 HZ3 LYS 460 HZ3 LYS 460 9.729 -4.890 -9.667 283 H TRP 461 HN TRP 461 10.884 -1.090 -4.402 284 HA TRP 461 HA TRP 461 9.214 1.171 -3.597 285 HD1 TRP 461 HD1 TRP 461 12.577 3.731 -4.894 286 HE1 TRP 461 HE1 TRP 461 12.133 5.885 -3.553 287 HE3 TRP 461 HE3 TRP 461 9.656 1.786 -1.181 288 HZ2 TRP 461 HZ2 TRP 461 10.736 6.644 -1.229 289 HZ3 TRP 461 HZ3 TRP 461 8.818 3.291 0.561 290 HH2 TRP 461 HH2 TRP 461 9.346 5.673 0.541 291 HB2 TRP 461 HB2 TRP 461 11.682 0.778 -2.949 292 HB3 TRP 461 HB1 TRP 461 12.058 1.250 -4.599 293 H GLU 462 HN GLU 462 8.370 2.631 -5.055 294 HA GLU 462 HA GLU 462 9.105 2.245 -7.886 295 HB2 GLU 462 HB2 GLU 462 6.911 1.214 -7.359 296 HB3 GLU 462 HB1 GLU 462 6.318 2.789 -6.848 297 HG2 GLU 462 HG2 GLU 462 6.758 3.640 -9.136 298 HG3 GLU 462 HG1 GLU 462 7.205 2.004 -9.617 299 H GLY 463 HN GLY 463 10.560 4.073 -7.441 300 HA2 GLY 463 HA2 GLY 463 11.098 6.281 -7.756 301 HA3 GLY 463 HA1 GLY 463 9.555 6.403 -8.588 302 H GLY 464 HN GLY 464 10.659 6.041 -5.224 303 HA2 GLY 464 HA2 GLY 464 10.291 7.424 -3.415 304 HA3 GLY 464 HA1 GLY 464 9.522 8.569 -4.501 305 H THR 465 HN THR 465 8.644 5.195 -3.917 306 HA THR 465 HA THR 465 6.600 5.786 -2.071 307 HB THR 465 HB THR 465 5.535 6.655 -4.205 308 HG1 THR 465 HG1 THR 465 3.523 5.660 -3.675 309 HG21 THR 465 HG21 THR 465 5.488 3.708 -4.877 310 HG22 THR 465 HG22 THR 465 6.274 4.991 -5.795 311 HG23 THR 465 HG23 THR 465 4.516 4.936 -5.687 312 H CYS 466 HN CYS 466 5.797 3.949 -1.125 313 HA CYS 466 HA CYS 466 7.124 1.459 -1.929 314 HB2 CYS 466 HB2 CYS 466 7.405 2.312 0.411 315 HB3 CYS 466 HB1 CYS 466 5.676 2.094 0.653 316 H LYS 467 HN LYS 467 5.947 -0.361 -2.462 317 HA LYS 467 HA LYS 467 3.067 -0.345 -2.135 318 HB2 LYS 467 HB2 LYS 467 2.534 -0.560 -4.471 319 HB3 LYS 467 HB1 LYS 467 3.458 0.917 -4.242 320 HG2 LYS 467 HG2 LYS 467 5.460 -0.177 -5.069 321 HG3 LYS 467 HG1 LYS 467 4.573 -1.693 -5.247 322 HD2 LYS 467 HD2 LYS 467 3.061 -0.567 -6.850 323 HD3 LYS 467 HD1 LYS 467 4.053 0.885 -6.724 324 HE2 LYS 467 HE2 LYS 467 4.722 -0.298 -8.682 325 HE3 LYS 467 HE1 LYS 467 6.000 -0.464 -7.479 326 HZ1 LYS 467 HZ1 LYS 467 3.907 -2.534 -7.788 327 HZ2 LYS 467 HZ2 LYS 467 5.444 -2.682 -7.087 328 HZ3 LYS 467 HZ3 LYS 467 5.293 -2.531 -8.768 329 H ASP 468 HN ASP 468 2.092 -2.355 -2.550 330 HA ASP 468 HA ASP 468 3.960 -4.618 -2.473 331 HB2 ASP 468 HB2 ASP 468 2.423 -4.634 -0.611 332 HB3 ASP 468 HB1 ASP 468 1.047 -4.391 -1.681 Start of MODEL 33 1 H1 GLY 421 HT1 GLY 421 -24.313 -24.123 18.449 2 H2 GLY 421 HT2 GLY 421 -24.965 -22.841 17.546 3 H3 GLY 421 HT3 GLY 421 -25.986 -23.849 18.445 4 HA2 GLY 421 HA1 GLY 421 -25.072 -23.057 20.504 5 HA3 GLY 421 HA2 GLY 421 -23.923 -22.070 19.610 6 H THR 422 HN THR 422 -26.266 -21.510 21.515 7 HA THR 422 HA THR 422 -28.043 -19.964 19.831 8 HB THR 422 HB THR 422 -29.021 -19.330 22.139 9 HG1 THR 422 HG1 THR 422 -28.369 -20.565 23.853 10 HG21 THR 422 HG21 THR 422 -30.124 -21.592 22.319 11 HG22 THR 422 HG22 THR 422 -29.045 -22.136 21.035 12 HG23 THR 422 HG23 THR 422 -30.202 -20.840 20.727 13 H LYS 423 HN LYS 423 -28.332 -18.015 22.156 14 HA LYS 423 HA LYS 423 -27.625 -15.966 22.800 15 HB2 LYS 423 HB2 LYS 423 -24.920 -16.821 21.758 16 HB3 LYS 423 HB1 LYS 423 -25.234 -15.356 22.677 17 HG2 LYS 423 HG2 LYS 423 -25.997 -16.746 24.567 18 HG3 LYS 423 HG1 LYS 423 -25.563 -18.186 23.643 19 HD2 LYS 423 HD2 LYS 423 -23.238 -17.354 23.509 20 HD3 LYS 423 HD1 LYS 423 -23.696 -15.988 24.524 21 HE2 LYS 423 HE2 LYS 423 -23.891 -18.890 25.312 22 HE3 LYS 423 HE1 LYS 423 -22.601 -17.791 25.794 23 HZ1 LYS 423 HZ1 LYS 423 -24.204 -17.963 27.545 24 HZ2 LYS 423 HZ2 LYS 423 -25.478 -17.556 26.498 25 HZ3 LYS 423 HZ3 LYS 423 -24.300 -16.403 26.885 26 H ALA 424 HN ALA 424 -27.756 -13.978 21.931 27 HA ALA 424 HA ALA 424 -28.253 -13.805 19.124 28 HB1 ALA 424 HB1 ALA 424 -28.330 -11.892 21.410 29 HB2 ALA 424 HB2 ALA 424 -29.617 -12.382 20.308 30 HB3 ALA 424 HB3 ALA 424 -28.362 -11.270 19.760 31 H SER 425 HN SER 425 -25.498 -13.380 21.101 32 HA SER 425 HA SER 425 -24.090 -11.527 19.461 33 HG SER 425 HG SER 425 -22.969 -14.332 21.596 34 HB2 SER 425 HB2 SER 425 -22.128 -12.373 20.924 35 HB3 SER 425 HB1 SER 425 -23.461 -11.532 21.721 36 H LYS 426 HN LYS 426 -25.001 -13.693 17.865 37 HA LYS 426 HA LYS 426 -22.549 -15.155 17.196 38 HB2 LYS 426 HB2 LYS 426 -25.387 -15.420 16.196 39 HB3 LYS 426 HB1 LYS 426 -24.035 -16.316 15.521 40 HG2 LYS 426 HG2 LYS 426 -23.661 -17.425 17.630 41 HG3 LYS 426 HG1 LYS 426 -24.924 -16.457 18.394 42 HD2 LYS 426 HD2 LYS 426 -25.765 -18.667 17.849 43 HD3 LYS 426 HD1 LYS 426 -26.579 -17.443 16.875 44 HE2 LYS 426 HE2 LYS 426 -26.052 -19.324 15.478 45 HE3 LYS 426 HE1 LYS 426 -25.035 -17.963 15.013 46 HZ1 LYS 426 HZ1 LYS 426 -23.315 -19.305 15.254 47 HZ2 LYS 426 HZ2 LYS 426 -24.277 -20.534 15.916 48 HZ3 LYS 426 HZ3 LYS 426 -23.608 -19.351 16.926 49 H SER 427 HN SER 427 -21.302 -14.560 15.540 50 HA SER 427 HA SER 427 -22.096 -12.201 14.027 51 HG SER 427 HG SER 427 -19.401 -12.143 12.360 52 HB2 SER 427 HB2 SER 427 -19.802 -12.483 15.106 53 HB3 SER 427 HB1 SER 427 -19.464 -13.682 13.858 54 H GLY 428 HN GLY 428 -23.100 -12.420 12.140 55 HA2 GLY 428 HA2 GLY 428 -23.110 -14.938 10.716 56 HA3 GLY 428 HA1 GLY 428 -23.919 -13.452 10.226 57 H VAL 429 HN VAL 429 -21.886 -11.677 10.171 58 HA VAL 429 HA VAL 429 -20.453 -12.404 7.769 59 HB VAL 429 HB VAL 429 -20.203 -9.924 9.491 60 HG11 VAL 429 HG11 VAL 429 -18.261 -10.365 8.016 61 HG12 VAL 429 HG12 VAL 429 -19.134 -8.892 7.598 62 HG13 VAL 429 HG13 VAL 429 -19.351 -10.349 6.631 63 HG21 VAL 429 HG21 VAL 429 -21.498 -9.489 6.977 64 HG22 VAL 429 HG22 VAL 429 -22.096 -9.177 8.607 65 HG23 VAL 429 HG23 VAL 429 -22.338 -10.759 7.867 66 HA PRO 430 HA PRO 430 -16.916 -14.027 9.966 67 HB2 PRO 430 HB2 PRO 430 -15.455 -13.805 7.446 68 HB3 PRO 430 HB1 PRO 430 -15.958 -15.256 8.317 69 HG2 PRO 430 HG2 PRO 430 -17.061 -14.516 5.955 70 HG3 PRO 430 HG1 PRO 430 -17.969 -15.386 7.205 71 HD2 PRO 430 HD2 PRO 430 -17.982 -12.460 6.548 72 HD3 PRO 430 HD1 PRO 430 -19.345 -13.531 6.944 73 H VAL 431 HN VAL 431 -17.106 -11.573 10.750 74 HA VAL 431 HA VAL 431 -15.252 -9.711 9.669 75 HB VAL 431 HB VAL 431 -15.693 -8.409 11.776 76 HG11 VAL 431 HG11 VAL 431 -18.395 -8.980 10.903 77 HG12 VAL 431 HG12 VAL 431 -17.271 -8.840 9.551 78 HG13 VAL 431 HG13 VAL 431 -17.429 -7.518 10.709 79 HG21 VAL 431 HG21 VAL 431 -17.623 -10.658 12.345 80 HG22 VAL 431 HG22 VAL 431 -17.459 -9.161 13.263 81 HG23 VAL 431 HG23 VAL 431 -16.141 -10.335 13.244 82 H THR 432 HN THR 432 -13.738 -11.885 9.982 83 HA THR 432 HA THR 432 -12.249 -11.810 12.452 84 HB THR 432 HB THR 432 -12.470 -13.926 11.248 85 HG1 THR 432 HG1 THR 432 -10.420 -13.195 12.418 86 HG21 THR 432 HG21 THR 432 -11.269 -12.358 9.018 87 HG22 THR 432 HG22 THR 432 -12.565 -13.552 8.987 88 HG23 THR 432 HG23 THR 432 -10.888 -14.076 9.144 89 H GLN 433 HN GLN 433 -10.405 -10.751 12.845 90 HA GLN 433 HA GLN 433 -8.646 -9.324 12.648 91 HB2 GLN 433 HB2 GLN 433 -8.993 -9.622 9.661 92 HB3 GLN 433 HB1 GLN 433 -7.627 -8.865 10.470 93 HG2 GLN 433 HG2 GLN 433 -7.027 -10.979 11.489 94 HG3 GLN 433 HG1 GLN 433 -8.433 -11.749 10.758 95 HE21 GLN 433 HE21 GLN 433 -5.230 -11.497 10.507 96 HE22 GLN 433 HE22 GLN 433 -5.031 -11.762 8.800 97 H THR 434 HN THR 434 -8.376 -7.114 12.607 98 HA THR 434 HA THR 434 -10.774 -5.571 12.292 99 HB THR 434 HB THR 434 -9.098 -3.652 12.843 100 HG1 THR 434 HG1 THR 434 -7.106 -4.386 12.776 101 HG21 THR 434 HG21 THR 434 -9.442 -5.809 14.917 102 HG22 THR 434 HG22 THR 434 -10.770 -4.783 14.376 103 HG23 THR 434 HG23 THR 434 -9.366 -4.063 15.164 104 H GLN 435 HN GLN 435 -10.381 -6.520 9.835 105 HA GLN 435 HA GLN 435 -9.951 -4.178 8.223 106 HB2 GLN 435 HB2 GLN 435 -8.120 -5.172 6.859 107 HB3 GLN 435 HB1 GLN 435 -7.630 -4.825 8.512 108 HG2 GLN 435 HG2 GLN 435 -8.134 -7.261 9.016 109 HG3 GLN 435 HG1 GLN 435 -8.234 -7.491 7.273 110 HE21 GLN 435 HE21 GLN 435 -6.007 -5.096 8.078 111 HE22 GLN 435 HE22 GLN 435 -4.565 -6.052 8.013 112 H THR 436 HN THR 436 -12.065 -6.049 8.756 113 HA THR 436 HA THR 436 -12.339 -7.750 6.431 114 HB THR 436 HB THR 436 -14.607 -7.040 8.267 115 HG1 THR 436 HG1 THR 436 -12.482 -8.867 8.847 116 HG21 THR 436 HG21 THR 436 -15.441 -8.539 6.767 117 HG22 THR 436 HG22 THR 436 -14.744 -9.689 7.909 118 HG23 THR 436 HG23 THR 436 -13.863 -9.255 6.445 119 H ALA 437 HN ALA 437 -13.185 -7.125 4.531 120 HA ALA 437 HA ALA 437 -15.295 -5.200 4.323 121 HB1 ALA 437 HB1 ALA 437 -12.494 -4.340 3.842 122 HB2 ALA 437 HB2 ALA 437 -13.872 -3.424 4.452 123 HB3 ALA 437 HB3 ALA 437 -13.734 -3.763 2.727 124 H GLY 438 HN GLY 438 -12.701 -6.968 2.698 125 HA2 GLY 438 HA2 GLY 438 -12.726 -8.208 0.756 126 HA3 GLY 438 HA1 GLY 438 -14.481 -8.074 0.749 127 H ALA 439 HN ALA 439 -11.993 -5.562 0.693 128 HA ALA 439 HA ALA 439 -12.710 -4.829 -2.037 129 HB1 ALA 439 HB1 ALA 439 -13.452 -3.267 0.384 130 HB2 ALA 439 HB2 ALA 439 -14.324 -3.484 -1.133 131 HB3 ALA 439 HB3 ALA 439 -12.946 -2.387 -1.058 132 H ASP 440 HN ASP 440 -10.860 -3.974 0.878 133 HA ASP 440 HA ASP 440 -8.893 -2.522 -0.617 134 HB2 ASP 440 HB2 ASP 440 -8.959 -3.486 2.242 135 HB3 ASP 440 HB1 ASP 440 -7.592 -2.613 1.558 136 H THR 441 HN THR 441 -7.378 -3.374 -1.816 137 HA THR 441 HA THR 441 -6.759 -6.141 -1.845 138 HB THR 441 HB THR 441 -4.701 -5.108 -3.210 139 HG1 THR 441 HG1 THR 441 -5.416 -2.932 -2.540 140 HG21 THR 441 HG21 THR 441 -6.098 -5.206 -5.211 141 HG22 THR 441 HG22 THR 441 -7.549 -5.148 -4.208 142 HG23 THR 441 HG23 THR 441 -6.471 -6.541 -4.121 143 H THR 442 HN THR 442 -5.362 -3.342 -0.293 144 HA THR 442 HA THR 442 -3.778 -5.102 1.382 145 HB THR 442 HB THR 442 -2.128 -4.612 -0.281 146 HG1 THR 442 HG1 THR 442 -1.099 -4.468 1.626 147 HG21 THR 442 HG21 THR 442 -2.588 -2.814 -1.562 148 HG22 THR 442 HG22 THR 442 -1.594 -1.957 -0.382 149 HG23 THR 442 HG23 THR 442 -3.352 -1.939 -0.236 150 H ALA 443 HN ALA 443 -3.856 -4.454 3.431 151 HA ALA 443 HA ALA 443 -5.308 -2.062 4.087 152 HB1 ALA 443 HB1 ALA 443 -4.052 -3.684 6.222 153 HB2 ALA 443 HB2 ALA 443 -5.278 -4.465 5.224 154 HB3 ALA 443 HB3 ALA 443 -5.675 -3.001 6.122 155 H GLU 444 HN GLU 444 -3.048 -1.253 2.853 156 HA GLU 444 HA GLU 444 -1.234 0.073 2.967 157 HB2 GLU 444 HB2 GLU 444 -2.945 1.407 4.178 158 HB3 GLU 444 HB1 GLU 444 -2.313 0.788 5.695 159 HG2 GLU 444 HG2 GLU 444 -0.118 1.780 5.085 160 HG3 GLU 444 HG1 GLU 444 -0.901 2.507 3.684 161 H LYS 445 HN LYS 445 -0.594 -2.487 3.509 162 HA LYS 445 HA LYS 445 0.995 -2.673 5.901 163 HB2 LYS 445 HB2 LYS 445 -0.060 -4.670 4.915 164 HB3 LYS 445 HB1 LYS 445 0.884 -4.447 3.449 165 HG2 LYS 445 HG2 LYS 445 1.889 -6.174 4.750 166 HG3 LYS 445 HG1 LYS 445 2.938 -4.757 4.781 167 HD2 LYS 445 HD2 LYS 445 2.931 -5.485 6.999 168 HD3 LYS 445 HD1 LYS 445 1.753 -4.175 6.988 169 HE2 LYS 445 HE2 LYS 445 1.007 -7.079 6.692 170 HE3 LYS 445 HE1 LYS 445 1.084 -6.258 8.248 171 HZ1 LYS 445 HZ1 LYS 445 -0.480 -4.600 6.829 172 HZ2 LYS 445 HZ2 LYS 445 -1.057 -5.825 7.839 173 HZ3 LYS 445 HZ3 LYS 445 -0.921 -6.103 6.173 174 H CYS 446 HN CYS 446 1.389 -1.913 2.530 175 HA CYS 446 HA CYS 446 4.256 -1.401 2.946 176 HB2 CYS 446 HB2 CYS 446 2.725 -1.826 0.371 177 HB3 CYS 446 HB1 CYS 446 4.459 -1.551 0.501 178 H LYS 447 HN LYS 447 1.192 -0.022 2.053 179 HA LYS 447 HA LYS 447 2.065 2.196 0.630 180 HB2 LYS 447 HB2 LYS 447 -0.270 1.311 0.770 181 HB3 LYS 447 HB1 LYS 447 -0.398 2.011 2.374 182 HG2 LYS 447 HG2 LYS 447 0.325 3.761 0.073 183 HG3 LYS 447 HG1 LYS 447 -1.350 3.257 0.291 184 HD2 LYS 447 HD2 LYS 447 -1.286 4.155 2.592 185 HD3 LYS 447 HD1 LYS 447 0.358 4.726 2.299 186 HE2 LYS 447 HE2 LYS 447 -2.078 5.564 0.731 187 HE3 LYS 447 HE1 LYS 447 -1.338 6.497 2.031 188 HZ1 LYS 447 HZ1 LYS 447 0.565 6.889 0.761 189 HZ2 LYS 447 HZ2 LYS 447 -0.713 7.094 -0.334 190 HZ3 LYS 447 HZ3 LYS 447 0.197 5.667 -0.358 191 H GLY 448 HN GLY 448 2.922 4.082 1.131 192 HA2 GLY 448 HA2 GLY 448 3.526 5.943 2.322 193 HA3 GLY 448 HA1 GLY 448 2.444 5.413 3.594 194 H LYS 449 HN LYS 449 4.906 3.136 2.722 195 HA LYS 449 HA LYS 449 6.328 3.832 5.185 196 HB2 LYS 449 HB2 LYS 449 6.479 1.381 3.432 197 HB3 LYS 449 HB1 LYS 449 7.570 1.677 4.780 198 HG2 LYS 449 HG2 LYS 449 5.440 1.894 6.192 199 HG3 LYS 449 HG1 LYS 449 4.630 1.125 4.826 200 HD2 LYS 449 HD2 LYS 449 6.992 -0.018 6.312 201 HD3 LYS 449 HD1 LYS 449 5.312 -0.484 6.567 202 HE2 LYS 449 HE2 LYS 449 5.220 -1.144 4.154 203 HE3 LYS 449 HE1 LYS 449 6.958 -0.854 4.069 204 HZ1 LYS 449 HZ1 LYS 449 6.632 -3.162 4.448 205 HZ2 LYS 449 HZ2 LYS 449 5.545 -2.881 5.716 206 HZ3 LYS 449 HZ3 LYS 449 7.185 -2.507 5.908 207 H GLY 450 HN GLY 450 8.392 4.541 5.215 208 HA2 GLY 450 HA2 GLY 450 9.430 5.749 2.837 209 HA3 GLY 450 HA1 GLY 450 10.230 5.677 4.402 210 H GLU 451 HN GLU 451 11.712 5.380 2.112 211 HA GLU 451 HA GLU 451 11.967 2.791 1.108 212 HB2 GLU 451 HB2 GLU 451 12.964 4.740 0.044 213 HB3 GLU 451 HB1 GLU 451 14.093 4.919 1.380 214 HG2 GLU 451 HG2 GLU 451 15.136 2.810 0.807 215 HG3 GLU 451 HG1 GLU 451 13.955 2.556 -0.478 216 H LYS 452 HN LYS 452 13.358 4.221 4.001 217 HA LYS 452 HA LYS 452 15.165 2.082 4.531 218 HB2 LYS 452 HB2 LYS 452 13.949 4.099 6.430 219 HB3 LYS 452 HB1 LYS 452 15.312 3.051 6.796 220 HG2 LYS 452 HG2 LYS 452 16.645 4.138 5.081 221 HG3 LYS 452 HG1 LYS 452 15.273 5.159 4.644 222 HD2 LYS 452 HD2 LYS 452 16.665 5.114 7.323 223 HD3 LYS 452 HD1 LYS 452 16.857 6.350 6.078 224 HE2 LYS 452 HE2 LYS 452 14.273 5.678 7.485 225 HE3 LYS 452 HE1 LYS 452 15.318 7.043 7.872 226 HZ1 LYS 452 HZ1 LYS 452 14.927 7.949 5.686 227 HZ2 LYS 452 HZ2 LYS 452 13.441 7.667 6.455 228 HZ3 LYS 452 HZ3 LYS 452 13.987 6.607 5.249 229 H ASP 453 HN ASP 453 11.890 2.861 5.632 230 HA ASP 453 HA ASP 453 11.676 0.551 7.308 231 HB2 ASP 453 HB2 ASP 453 9.642 2.540 6.310 232 HB3 ASP 453 HB1 ASP 453 9.209 1.178 7.336 233 H CYS 454 HN CYS 454 10.457 1.389 4.090 234 HA CYS 454 HA CYS 454 9.130 -1.149 3.770 235 HB2 CYS 454 HB2 CYS 454 8.789 1.311 2.637 236 HB3 CYS 454 HB1 CYS 454 9.649 0.464 1.354 237 H LYS 455 HN LYS 455 10.203 -2.962 3.298 238 HA LYS 455 HA LYS 455 12.877 -2.815 2.143 239 HB2 LYS 455 HB2 LYS 455 11.286 -5.031 3.416 240 HB3 LYS 455 HB1 LYS 455 12.702 -5.391 2.443 241 HG2 LYS 455 HG2 LYS 455 13.407 -5.357 4.696 242 HG3 LYS 455 HG1 LYS 455 14.008 -3.872 3.957 243 HD2 LYS 455 HD2 LYS 455 12.095 -2.653 4.920 244 HD3 LYS 455 HD1 LYS 455 11.566 -4.142 5.707 245 HE2 LYS 455 HE2 LYS 455 12.796 -2.751 7.271 246 HE3 LYS 455 HE1 LYS 455 13.689 -4.234 6.933 247 HZ1 LYS 455 HZ1 LYS 455 15.324 -3.120 5.861 248 HZ2 LYS 455 HZ2 LYS 455 14.823 -1.861 6.883 249 HZ3 LYS 455 HZ3 LYS 455 14.295 -1.906 5.273 250 H SER 456 HN SER 456 13.452 -3.851 0.218 251 HA SER 456 HA SER 456 11.548 -3.650 -1.848 252 HG SER 456 HG SER 456 13.455 -5.473 -3.872 253 HB2 SER 456 HB2 SER 456 14.000 -3.362 -2.164 254 HB3 SER 456 HB1 SER 456 14.208 -5.098 -1.931 255 HA PRO 457 HA PRO 457 11.410 -8.540 -1.851 256 HB2 PRO 457 HB2 PRO 457 11.948 -9.671 0.587 257 HB3 PRO 457 HB1 PRO 457 13.123 -9.563 -0.728 258 HG2 PRO 457 HG2 PRO 457 12.805 -7.821 1.679 259 HG3 PRO 457 HG1 PRO 457 14.289 -8.435 0.927 260 HD2 PRO 457 HD2 PRO 457 13.437 -5.911 0.547 261 HD3 PRO 457 HD1 PRO 457 14.264 -6.827 -0.730 262 H ASP 458 HN ASP 458 10.794 -6.613 1.002 263 HA ASP 458 HA ASP 458 8.424 -7.959 1.847 264 HB2 ASP 458 HB2 ASP 458 9.819 -6.560 3.356 265 HB3 ASP 458 HB1 ASP 458 9.358 -5.136 2.432 266 H CYS 459 HN CYS 459 9.077 -4.964 0.058 267 HA CYS 459 HA CYS 459 6.402 -5.061 -1.126 268 HB2 CYS 459 HB2 CYS 459 7.492 -2.681 0.400 269 HB3 CYS 459 HB1 CYS 459 5.961 -2.732 -0.471 270 H LYS 460 HN LYS 460 6.286 -4.020 -3.123 271 HA LYS 460 HA LYS 460 8.765 -3.718 -4.479 272 HB2 LYS 460 HB2 LYS 460 6.613 -4.523 -5.503 273 HB3 LYS 460 HB1 LYS 460 6.037 -2.862 -5.446 274 HG2 LYS 460 HG2 LYS 460 7.811 -2.161 -6.933 275 HG3 LYS 460 HG1 LYS 460 8.485 -3.791 -6.934 276 HD2 LYS 460 HD2 LYS 460 5.765 -2.995 -7.966 277 HD3 LYS 460 HD1 LYS 460 7.180 -3.374 -8.950 278 HE2 LYS 460 HE2 LYS 460 5.770 -5.267 -7.071 279 HE3 LYS 460 HE1 LYS 460 5.631 -5.268 -8.828 280 HZ1 LYS 460 HZ1 LYS 460 8.114 -5.618 -8.849 281 HZ2 LYS 460 HZ2 LYS 460 7.185 -6.926 -8.294 282 HZ3 LYS 460 HZ3 LYS 460 8.005 -5.937 -7.185 283 H TRP 461 HN TRP 461 10.008 -1.998 -4.644 284 HA TRP 461 HA TRP 461 8.903 0.629 -3.920 285 HD1 TRP 461 HD1 TRP 461 12.805 2.205 -4.568 286 HE1 TRP 461 HE1 TRP 461 12.715 4.500 -3.396 287 HE3 TRP 461 HE3 TRP 461 9.196 1.196 -1.111 288 HZ2 TRP 461 HZ2 TRP 461 11.283 5.702 -1.269 289 HZ3 TRP 461 HZ3 TRP 461 8.527 2.958 0.449 290 HH2 TRP 461 HH2 TRP 461 9.544 5.171 0.374 291 HB2 TRP 461 HB2 TRP 461 10.847 -0.295 -2.573 292 HB3 TRP 461 HB1 TRP 461 11.825 -0.147 -4.030 293 H GLU 462 HN GLU 462 8.708 2.107 -5.491 294 HA GLU 462 HA GLU 462 9.744 1.439 -8.132 295 HB2 GLU 462 HB2 GLU 462 7.373 2.176 -7.732 296 HB3 GLU 462 HB1 GLU 462 8.001 3.763 -7.320 297 HG2 GLU 462 HG2 GLU 462 8.691 4.190 -9.503 298 HG3 GLU 462 HG1 GLU 462 8.599 2.488 -9.964 299 H GLY 463 HN GLY 463 9.622 4.379 -6.138 300 HA2 GLY 463 HA2 GLY 463 12.368 4.893 -6.125 301 HA3 GLY 463 HA1 GLY 463 11.676 5.743 -7.504 302 H GLY 464 HN GLY 464 10.224 5.092 -4.370 303 HA2 GLY 464 HA2 GLY 464 10.493 7.226 -2.834 304 HA3 GLY 464 HA1 GLY 464 9.538 7.917 -4.143 305 H THR 465 HN THR 465 7.942 5.751 -4.755 306 HA THR 465 HA THR 465 6.228 5.621 -2.383 307 HB THR 465 HB THR 465 5.551 5.156 -5.269 308 HG1 THR 465 HG1 THR 465 5.704 7.432 -3.715 309 HG21 THR 465 HG21 THR 465 3.501 4.510 -4.665 310 HG22 THR 465 HG22 THR 465 3.361 5.810 -3.480 311 HG23 THR 465 HG23 THR 465 4.163 4.302 -3.044 312 H CYS 466 HN CYS 466 5.710 3.730 -1.450 313 HA CYS 466 HA CYS 466 6.835 1.272 -2.600 314 HB2 CYS 466 HB2 CYS 466 7.182 2.181 -0.132 315 HB3 CYS 466 HB1 CYS 466 5.640 1.377 0.136 316 H LYS 467 HN LYS 467 5.544 -0.564 -2.937 317 HA LYS 467 HA LYS 467 2.704 -0.370 -2.358 318 HB2 LYS 467 HB2 LYS 467 2.125 -1.001 -4.736 319 HB3 LYS 467 HB1 LYS 467 2.646 0.654 -4.478 320 HG2 LYS 467 HG2 LYS 467 4.645 -1.383 -5.334 321 HG3 LYS 467 HG1 LYS 467 3.524 -0.701 -6.516 322 HD2 LYS 467 HD2 LYS 467 4.261 1.567 -5.825 323 HD3 LYS 467 HD1 LYS 467 5.457 0.815 -4.767 324 HE2 LYS 467 HE2 LYS 467 6.532 1.458 -6.803 325 HE3 LYS 467 HE1 LYS 467 6.434 -0.300 -6.751 326 HZ1 LYS 467 HZ1 LYS 467 4.165 0.370 -8.046 327 HZ2 LYS 467 HZ2 LYS 467 5.617 -0.075 -8.803 328 HZ3 LYS 467 HZ3 LYS 467 5.239 1.562 -8.602 329 H ASP 468 HN ASP 468 1.696 -2.260 -2.120 330 HA ASP 468 HA ASP 468 3.263 -4.582 -1.652 331 HB2 ASP 468 HB2 ASP 468 1.316 -4.132 -0.300 332 HB3 ASP 468 HB1 ASP 468 0.276 -4.110 -1.715
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