NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
584363 | 2mwf | 25315 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 433 HT1 SER 433 -4.591 8.539 -1.021 2 HA SER 433 HA SER 433 -4.441 7.632 -3.217 3 HB2 SER 433 HB2 SER 433 -3.405 10.244 -4.251 4 HB3 SER 433 HB1 SER 433 -4.201 8.932 -5.121 5 HG SER 433 HG SER 433 -6.155 9.637 -4.457 6 H GLU 434 HN GLU 434 -2.712 8.815 -0.810 7 HA GLU 434 HA GLU 434 -0.162 9.259 -2.076 8 HB2 GLU 434 HB2 GLU 434 -0.318 8.991 0.876 9 HB3 GLU 434 HB1 GLU 434 0.523 10.182 -0.102 10 HG2 GLU 434 HG2 GLU 434 -2.413 10.124 0.567 11 HG3 GLU 434 HG1 GLU 434 -1.207 11.263 1.153 12 H TRP 435 HN TRP 435 -1.791 6.523 -1.132 13 HA TRP 435 HA TRP 435 0.544 5.083 -0.155 14 HB2 TRP 435 HB2 TRP 435 -2.261 4.031 -0.630 15 HB3 TRP 435 HB1 TRP 435 -0.994 3.272 0.334 16 HD1 TRP 435 HD1 TRP 435 -3.583 6.053 0.441 17 HE1 TRP 435 HE1 TRP 435 -3.755 6.976 2.849 18 HE3 TRP 435 HE3 TRP 435 0.284 3.489 2.558 19 HZ2 TRP 435 HZ2 TRP 435 -2.407 6.647 5.319 20 HZ3 TRP 435 HZ3 TRP 435 0.783 3.837 4.940 21 HH2 TRP 435 HH2 TRP 435 -0.518 5.400 6.290 22 H THR 436 HN THR 436 1.688 3.626 -1.362 23 HA THR 436 HA THR 436 1.139 3.686 -4.220 24 HB THR 436 HB THR 436 3.515 2.626 -2.677 25 HG1 THR 436 HG1 THR 436 2.914 5.046 -3.227 26 HG21 THR 436 HG21 THR 436 4.609 2.380 -4.881 27 HG22 THR 436 HG22 THR 436 3.081 2.773 -5.669 28 HG23 THR 436 HG23 THR 436 3.222 1.301 -4.704 29 H GLU 437 HN GLU 437 -0.355 2.309 -4.785 30 HA GLU 437 HA GLU 437 -0.356 -0.413 -3.769 31 HB2 GLU 437 HB2 GLU 437 -2.371 -0.617 -5.329 32 HB3 GLU 437 HB1 GLU 437 -2.545 0.452 -3.943 33 HG2 GLU 437 HG2 GLU 437 -2.127 2.383 -5.372 34 HG3 GLU 437 HG1 GLU 437 -1.927 1.317 -6.762 35 H ARG 438 HN ARG 438 1.302 -1.484 -4.604 36 HA ARG 438 HA ARG 438 1.691 -1.363 -7.519 37 HB2 ARG 438 HB2 ARG 438 3.536 -0.433 -6.097 38 HB3 ARG 438 HB1 ARG 438 3.746 -2.034 -5.407 39 HG2 ARG 438 HG2 ARG 438 4.434 -2.921 -7.519 40 HG3 ARG 438 HG1 ARG 438 4.051 -1.400 -8.335 41 HD2 ARG 438 HD2 ARG 438 5.743 -0.282 -6.890 42 HD3 ARG 438 HD1 ARG 438 6.179 -1.865 -6.247 43 HE ARG 438 HE ARG 438 6.344 -1.559 -9.137 44 HH11 ARG 438 HH11 ARG 438 8.002 -1.622 -6.056 45 HH12 ARG 438 HH12 ARG 438 9.585 -1.751 -6.761 46 HH21 ARG 438 HH21 ARG 438 8.410 -1.721 -10.077 47 HH22 ARG 438 HH22 ARG 438 9.819 -1.782 -9.060 48 H LYS 439 HN LYS 439 0.954 -3.128 -8.473 49 HA LYS 439 HA LYS 439 0.699 -5.569 -6.930 50 HB2 LYS 439 HB2 LYS 439 -0.610 -6.404 -8.863 51 HB3 LYS 439 HB1 LYS 439 -1.266 -4.947 -8.144 52 HG2 LYS 439 HG2 LYS 439 -0.213 -3.631 -9.966 53 HG3 LYS 439 HG1 LYS 439 0.288 -5.149 -10.712 54 HD2 LYS 439 HD2 LYS 439 -1.743 -4.422 -11.769 55 HD3 LYS 439 HD1 LYS 439 -2.110 -5.832 -10.777 56 HE2 LYS 439 HE2 LYS 439 -2.907 -4.333 -8.990 57 HE3 LYS 439 HE1 LYS 439 -2.600 -2.951 -10.038 58 HZ1 LYS 439 HZ1 LYS 439 -4.176 -4.045 -11.654 59 HZ2 LYS 439 HZ2 LYS 439 -4.876 -3.433 -10.238 60 HZ3 LYS 439 HZ3 LYS 439 -4.613 -5.101 -10.398 61 H THR 440 HN THR 440 2.589 -6.485 -6.738 62 HA THR 440 HA THR 440 4.363 -6.750 -9.011 63 HB THR 440 HB THR 440 5.875 -7.867 -7.348 64 HG1 THR 440 HG1 THR 440 3.577 -7.737 -5.853 65 HG21 THR 440 HG21 THR 440 4.809 -5.121 -6.701 66 HG22 THR 440 HG22 THR 440 6.142 -5.519 -7.786 67 HG23 THR 440 HG23 THR 440 6.305 -5.788 -6.046 68 H ALA 441 HN ALA 441 5.067 -8.628 -9.918 69 HA ALA 441 HA ALA 441 3.228 -10.755 -10.189 70 HB1 ALA 441 HB1 ALA 441 6.143 -10.685 -10.953 71 HB2 ALA 441 HB2 ALA 441 4.806 -10.109 -11.949 72 HB3 ALA 441 HB3 ALA 441 4.935 -11.822 -11.547 73 H ASP 442 HN ASP 442 5.227 -10.085 -7.675 74 HA ASP 442 HA ASP 442 6.054 -12.637 -6.790 75 HB2 ASP 442 HB2 ASP 442 6.868 -10.464 -5.883 76 HB3 ASP 442 HB1 ASP 442 5.292 -10.205 -5.152 77 H GLY 443 HN GLY 443 3.020 -11.292 -7.245 78 HA2 GLY 443 HA2 GLY 443 0.994 -12.449 -7.058 79 HA3 GLY 443 HA1 GLY 443 1.750 -13.549 -5.911 80 H LYS 444 HN LYS 444 2.066 -10.098 -5.587 81 HA LYS 444 HA LYS 444 0.047 -10.024 -3.478 82 HB2 LYS 444 HB2 LYS 444 2.939 -9.310 -2.932 83 HB3 LYS 444 HB1 LYS 444 1.597 -9.173 -1.804 84 HG2 LYS 444 HG2 LYS 444 1.360 -11.559 -1.712 85 HG3 LYS 444 HG1 LYS 444 2.582 -11.770 -2.967 86 HD2 LYS 444 HD2 LYS 444 4.224 -10.657 -1.442 87 HD3 LYS 444 HD1 LYS 444 2.991 -10.687 -0.180 88 HE2 LYS 444 HE2 LYS 444 4.608 -12.567 -0.041 89 HE3 LYS 444 HE1 LYS 444 2.931 -13.086 -0.209 90 HZ1 LYS 444 HZ1 LYS 444 3.274 -13.645 -2.453 91 HZ2 LYS 444 HZ2 LYS 444 4.622 -14.272 -1.635 92 HZ3 LYS 444 HZ3 LYS 444 4.763 -12.834 -2.528 93 H THR 445 HN THR 445 -0.877 -8.065 -3.288 94 HA THR 445 HA THR 445 0.292 -5.816 -4.758 95 HB THR 445 HB THR 445 -2.346 -5.596 -3.372 96 HG1 THR 445 HG1 THR 445 -1.851 -7.600 -5.040 97 HG21 THR 445 HG21 THR 445 -2.886 -4.238 -5.344 98 HG22 THR 445 HG22 THR 445 -1.316 -4.628 -6.047 99 HG23 THR 445 HG23 THR 445 -1.408 -3.675 -4.565 100 H TYR 446 HN TYR 446 1.776 -4.802 -3.446 101 HA TYR 446 HA TYR 446 0.991 -4.450 -0.657 102 HB2 TYR 446 HB2 TYR 446 3.293 -3.637 -0.259 103 HB3 TYR 446 HB1 TYR 446 3.209 -5.290 -0.829 104 HD1 TYR 446 HD1 TYR 446 3.613 -1.858 -2.325 105 HD2 TYR 446 HD2 TYR 446 4.845 -5.927 -2.260 106 HE1 TYR 446 HE1 TYR 446 5.377 -1.348 -3.960 107 HE2 TYR 446 HE2 TYR 446 6.601 -5.432 -3.900 108 HH TYR 446 HH TYR 446 7.370 -3.891 -5.378 109 H TYR 447 HN TYR 447 0.595 -2.567 0.273 110 HA TYR 447 HA TYR 447 0.807 -0.174 -1.414 111 HB2 TYR 447 HB2 TYR 447 -0.839 -0.670 1.082 112 HB3 TYR 447 HB1 TYR 447 -0.791 0.843 0.191 113 HD1 TYR 447 HD2 TYR 447 -1.431 -2.803 -0.633 114 HD2 TYR 447 HD1 TYR 447 -2.636 1.264 -1.103 115 HE1 TYR 447 HE2 TYR 447 -3.340 -3.530 -1.978 116 HE2 TYR 447 HE1 TYR 447 -4.554 0.528 -2.458 117 HH TYR 447 HH TYR 447 -5.347 -1.308 -3.726 118 H TYR 448 HN TYR 448 3.071 0.042 -0.987 119 HA TYR 448 HA TYR 448 3.881 0.644 1.730 120 HB2 TYR 448 HB2 TYR 448 5.545 -0.478 0.511 121 HB3 TYR 448 HB1 TYR 448 5.311 0.534 -0.909 122 HD1 TYR 448 HD1 TYR 448 6.283 0.987 2.700 123 HD2 TYR 448 HD2 TYR 448 6.966 2.032 -1.370 124 HE1 TYR 448 HE1 TYR 448 8.165 2.432 3.391 125 HE2 TYR 448 HE2 TYR 448 8.836 3.470 -0.694 126 HH TYR 448 HH TYR 448 9.681 4.631 1.212 127 H ASN 449 HN ASN 449 4.114 2.578 2.648 128 HA ASN 449 HA ASN 449 4.152 4.979 0.954 129 HB2 ASN 449 HB2 ASN 449 1.820 4.495 1.873 130 HB3 ASN 449 HB1 ASN 449 2.487 4.827 3.466 131 HD21 ASN 449 HD21 ASN 449 0.385 6.217 2.108 132 HD22 ASN 449 HD22 ASN 449 0.901 7.852 1.899 133 H ASN 450 HN ASN 450 5.166 6.753 1.893 134 HA ASN 450 HA ASN 450 7.286 5.972 3.730 135 HB2 ASN 450 HB2 ASN 450 7.740 7.109 1.501 136 HB3 ASN 450 HB1 ASN 450 7.001 8.556 2.174 137 HD21 ASN 450 HD21 ASN 450 8.123 9.761 3.693 138 HD22 ASN 450 HD22 ASN 450 9.791 9.478 4.063 139 H ARG 451 HN ARG 451 4.276 7.157 3.944 140 HA ARG 451 HA ARG 451 4.439 9.329 5.704 141 HB2 ARG 451 HB2 ARG 451 2.380 7.165 5.433 142 HB3 ARG 451 HB1 ARG 451 2.229 8.432 6.640 143 HG2 ARG 451 HG2 ARG 451 2.462 10.071 4.690 144 HG3 ARG 451 HG1 ARG 451 2.155 8.674 3.654 145 HD2 ARG 451 HD2 ARG 451 0.080 9.851 4.097 146 HD3 ARG 451 HD1 ARG 451 0.049 8.264 4.868 147 HE ARG 451 HE ARG 451 0.902 10.538 6.497 148 HH11 ARG 451 HH11 ARG 451 -1.669 8.310 5.641 149 HH12 ARG 451 HH12 ARG 451 -2.566 8.577 7.103 150 HH21 ARG 451 HH21 ARG 451 -0.259 10.870 8.428 151 HH22 ARG 451 HH22 ARG 451 -1.739 9.999 8.707 152 H THR 452 HN THR 452 4.205 5.878 6.452 153 HA THR 452 HA THR 452 5.482 6.470 9.029 154 HB THR 452 HB THR 452 4.368 4.212 9.692 155 HG1 THR 452 HG1 THR 452 2.608 3.645 8.492 156 HG21 THR 452 HG21 THR 452 2.331 5.392 10.396 157 HG22 THR 452 HG22 THR 452 2.718 6.713 9.292 158 HG23 THR 452 HG23 THR 452 3.769 6.377 10.668 159 H LEU 453 HN LEU 453 6.187 5.348 6.077 160 HA LEU 453 HA LEU 453 7.631 3.876 5.120 161 HB2 LEU 453 HB2 LEU 453 8.667 3.997 7.910 162 HB3 LEU 453 HB1 LEU 453 9.215 2.670 6.908 163 HG LEU 453 HG LEU 453 10.743 4.654 6.956 164 HD11 LEU 453 HD11 LEU 453 10.591 2.939 5.089 165 HD12 LEU 453 HD12 LEU 453 11.324 4.490 4.681 166 HD13 LEU 453 HD13 LEU 453 9.664 4.146 4.198 167 HD21 LEU 453 HD21 LEU 453 10.154 6.615 5.667 168 HD22 LEU 453 HD22 LEU 453 8.984 6.381 6.967 169 HD23 LEU 453 HD23 LEU 453 8.565 5.930 5.311 170 H GLU 454 HN GLU 454 5.027 3.123 6.065 171 HA GLU 454 HA GLU 454 5.411 0.325 6.878 172 HB2 GLU 454 HB2 GLU 454 3.016 2.144 7.111 173 HB3 GLU 454 HB1 GLU 454 2.935 0.412 7.393 174 HG2 GLU 454 HG2 GLU 454 4.678 0.716 9.165 175 HG3 GLU 454 HG1 GLU 454 4.476 2.458 8.957 176 H SER 455 HN SER 455 4.385 -1.306 5.809 177 HA SER 455 HA SER 455 3.153 -0.582 3.249 178 HB2 SER 455 HB2 SER 455 3.886 -2.885 2.496 179 HB3 SER 455 HB1 SER 455 5.196 -1.739 2.776 180 HG SER 455 HG SER 455 4.786 -2.936 5.078 181 H THR 456 HN THR 456 1.069 -0.790 3.337 182 HA THR 456 HA THR 456 -0.150 -2.685 5.185 183 HB THR 456 HB THR 456 -2.272 -1.518 4.543 184 HG1 THR 456 HG1 THR 456 -1.348 -0.815 2.445 185 HG21 THR 456 HG21 THR 456 -1.626 0.703 5.583 186 HG22 THR 456 HG22 THR 456 0.037 0.111 5.598 187 HG23 THR 456 HG23 THR 456 -1.208 -0.734 6.517 188 H TRP 457 HN TRP 457 -0.312 -4.685 4.389 189 HA TRP 457 HA TRP 457 -0.752 -5.065 1.532 190 HB2 TRP 457 HB2 TRP 457 -0.135 -7.091 3.713 191 HB3 TRP 457 HB1 TRP 457 -0.192 -7.433 1.980 192 HD1 TRP 457 HD1 TRP 457 1.700 -4.997 4.327 193 HE1 TRP 457 HE1 TRP 457 4.069 -4.628 3.418 194 HE3 TRP 457 HE3 TRP 457 1.458 -8.004 0.186 195 HZ2 TRP 457 HZ2 TRP 457 5.612 -5.442 1.233 196 HZ3 TRP 457 HZ3 TRP 457 3.460 -8.175 -1.242 197 HH2 TRP 457 HH2 TRP 457 5.500 -6.941 -0.723 198 H GLU 458 HN GLU 458 -2.510 -4.579 4.210 199 HA GLU 458 HA GLU 458 -4.896 -5.706 2.918 200 HB2 GLU 458 HB2 GLU 458 -4.588 -6.356 5.302 201 HB3 GLU 458 HB1 GLU 458 -4.591 -4.654 5.745 202 HG2 GLU 458 HG2 GLU 458 -6.750 -5.767 6.153 203 HG3 GLU 458 HG1 GLU 458 -6.871 -4.413 5.030 204 H LYS 459 HN LYS 459 -6.498 -4.260 2.292 205 HA LYS 459 HA LYS 459 -5.446 -1.745 1.471 206 HB2 LYS 459 HB2 LYS 459 -8.242 -2.840 1.197 207 HB3 LYS 459 HB1 LYS 459 -7.578 -1.471 0.312 208 HG2 LYS 459 HG2 LYS 459 -5.936 -2.924 -0.739 209 HG3 LYS 459 HG1 LYS 459 -6.557 -4.302 0.170 210 HD2 LYS 459 HD2 LYS 459 -8.752 -3.973 -0.934 211 HD3 LYS 459 HD1 LYS 459 -8.029 -2.688 -1.908 212 HE2 LYS 459 HE2 LYS 459 -8.034 -4.729 -3.185 213 HE3 LYS 459 HE1 LYS 459 -6.375 -4.312 -2.758 214 HZ1 LYS 459 HZ1 LYS 459 -6.670 -6.638 -2.408 215 HZ2 LYS 459 HZ2 LYS 459 -8.078 -6.393 -1.495 216 HZ3 LYS 459 HZ3 LYS 459 -6.577 -5.910 -0.876 217 HA PRO 460 HA PRO 460 -6.894 0.511 5.128 218 HB2 PRO 460 HB2 PRO 460 -5.724 2.816 3.756 219 HB3 PRO 460 HB1 PRO 460 -5.292 2.109 5.312 220 HG2 PRO 460 HG2 PRO 460 -3.698 1.937 3.147 221 HG3 PRO 460 HG1 PRO 460 -3.765 0.675 4.388 222 HD2 PRO 460 HD2 PRO 460 -5.013 0.737 1.675 223 HD3 PRO 460 HD1 PRO 460 -4.260 -0.612 2.554 224 H GLN 461 HN GLN 461 -8.503 2.028 5.507 225 HA GLN 461 HA GLN 461 -10.250 2.602 3.259 226 HB2 GLN 461 HB2 GLN 461 -11.217 1.742 5.345 227 HB3 GLN 461 HB1 GLN 461 -10.593 3.129 6.222 228 HG2 GLN 461 HG2 GLN 461 -12.463 3.540 3.929 229 HG3 GLN 461 HG1 GLN 461 -13.087 3.039 5.498 230 HE21 GLN 461 HE21 GLN 461 -13.460 5.536 3.987 231 HE22 GLN 461 HE22 GLN 461 -12.958 6.800 5.058 232 H GLU 462 HN GLU 462 -8.050 4.245 5.382 233 HA GLU 462 HA GLU 462 -8.947 6.899 4.654 234 HB2 GLU 462 HB2 GLU 462 -7.030 7.654 6.036 235 HB3 GLU 462 HB1 GLU 462 -8.107 6.565 6.894 236 HG2 GLU 462 HG2 GLU 462 -5.691 5.463 5.544 237 HG3 GLU 462 HG1 GLU 462 -5.519 6.311 7.080 238 H LEU 463 HN LEU 463 -7.739 4.879 2.688 239 HA LEU 463 HA LEU 463 -5.245 5.930 1.870 240 HB2 LEU 463 HB2 LEU 463 -6.046 3.651 1.330 241 HB3 LEU 463 HB1 LEU 463 -7.235 4.347 0.247 242 HG LEU 463 HG LEU 463 -4.379 5.040 -0.224 243 HD11 LEU 463 HD11 LEU 463 -3.871 3.038 -1.334 244 HD12 LEU 463 HD12 LEU 463 -5.521 2.434 -1.182 245 HD13 LEU 463 HD13 LEU 463 -4.494 2.567 0.247 246 HD21 LEU 463 HD21 LEU 463 -5.107 4.901 -2.565 247 HD22 LEU 463 HD22 LEU 463 -6.105 6.011 -1.626 248 HD23 LEU 463 HD23 LEU 463 -6.710 4.405 -2.023 249 H LYS 464 HN LYS 464 -8.541 6.745 1.137 250 HA LYS 464 HA LYS 464 -9.540 8.315 -0.145 251 HB2 LYS 464 HB2 LYS 464 -8.229 9.860 1.201 252 HB3 LYS 464 HB1 LYS 464 -6.852 9.663 0.133 253 HG2 LYS 464 HG2 LYS 464 -7.892 11.771 -0.318 254 HG3 LYS 464 HG1 LYS 464 -8.160 10.701 -1.693 255 HD2 LYS 464 HD2 LYS 464 -10.227 10.932 0.470 256 HD3 LYS 464 HD1 LYS 464 -10.121 12.161 -0.788 257 HE2 LYS 464 HE2 LYS 464 -10.568 9.205 -1.186 258 HE3 LYS 464 HE1 LYS 464 -11.763 10.486 -1.396 259 HZ1 LYS 464 HZ1 LYS 464 -9.322 10.038 -3.023 260 HZ2 LYS 464 HZ2 LYS 464 -10.319 11.396 -3.181 261 HZ3 LYS 464 HZ3 LYS 464 -10.927 9.849 -3.529 Start of MODEL 2 1 H SER 433 HT1 SER 433 3.153 10.718 -4.071 2 HA SER 433 HA SER 433 1.085 9.553 -4.159 3 HB2 SER 433 HB2 SER 433 2.788 7.122 -4.785 4 HB3 SER 433 HB1 SER 433 1.045 7.122 -4.517 5 HG SER 433 HG SER 433 0.954 7.421 -6.596 6 H GLU 434 HN GLU 434 0.453 9.415 -2.110 7 HA GLU 434 HA GLU 434 2.406 8.933 -0.035 8 HB2 GLU 434 HB2 GLU 434 -0.568 9.405 0.254 9 HB3 GLU 434 HB1 GLU 434 0.646 9.536 1.518 10 HG2 GLU 434 HG2 GLU 434 0.513 11.279 -0.927 11 HG3 GLU 434 HG1 GLU 434 -0.110 11.717 0.659 12 H TRP 435 HN TRP 435 0.013 7.160 -1.720 13 HA TRP 435 HA TRP 435 0.544 4.832 0.003 14 HB2 TRP 435 HB2 TRP 435 -1.994 5.261 -1.600 15 HB3 TRP 435 HB1 TRP 435 -1.672 3.975 -0.442 16 HD1 TRP 435 HD1 TRP 435 -3.411 7.166 -0.688 17 HE1 TRP 435 HE1 TRP 435 -3.937 8.150 1.633 18 HE3 TRP 435 HE3 TRP 435 -0.410 4.158 2.131 19 HZ2 TRP 435 HZ2 TRP 435 -3.165 7.693 4.320 20 HZ3 TRP 435 HZ3 TRP 435 -0.343 4.497 4.559 21 HH2 TRP 435 HH2 TRP 435 -1.653 6.251 5.634 22 H THR 436 HN THR 436 1.962 3.605 -1.107 23 HA THR 436 HA THR 436 1.854 3.570 -4.016 24 HB THR 436 HB THR 436 3.776 2.228 -2.104 25 HG1 THR 436 HG1 THR 436 4.110 4.443 -2.196 26 HG21 THR 436 HG21 THR 436 3.832 2.341 -5.130 27 HG22 THR 436 HG22 THR 436 3.568 0.897 -4.148 28 HG23 THR 436 HG23 THR 436 5.130 1.719 -4.109 29 H GLU 437 HN GLU 437 0.058 2.432 -4.560 30 HA GLU 437 HA GLU 437 -0.200 -0.306 -3.616 31 HB2 GLU 437 HB2 GLU 437 -2.267 0.985 -3.963 32 HB3 GLU 437 HB1 GLU 437 -1.838 1.234 -5.651 33 HG2 GLU 437 HG2 GLU 437 -1.920 -1.231 -5.969 34 HG3 GLU 437 HG1 GLU 437 -2.515 -1.377 -4.317 35 H ARG 438 HN ARG 438 1.676 -1.246 -4.406 36 HA ARG 438 HA ARG 438 1.935 -1.235 -7.328 37 HB2 ARG 438 HB2 ARG 438 3.943 -0.497 -6.123 38 HB3 ARG 438 HB1 ARG 438 3.989 -2.031 -5.260 39 HG2 ARG 438 HG2 ARG 438 4.323 -3.218 -7.358 40 HG3 ARG 438 HG1 ARG 438 4.247 -1.693 -8.240 41 HD2 ARG 438 HD2 ARG 438 6.237 -0.906 -7.131 42 HD3 ARG 438 HD1 ARG 438 6.279 -2.346 -6.115 43 HE ARG 438 HE ARG 438 6.445 -2.679 -9.021 44 HH11 ARG 438 HH11 ARG 438 8.002 -2.749 -5.884 45 HH12 ARG 438 HH12 ARG 438 9.374 -3.658 -6.447 46 HH21 ARG 438 HH21 ARG 438 8.227 -3.915 -9.754 47 HH22 ARG 438 HH22 ARG 438 9.495 -4.340 -8.638 48 H LYS 439 HN LYS 439 1.132 -2.878 -8.316 49 HA LYS 439 HA LYS 439 0.634 -5.338 -6.870 50 HB2 LYS 439 HB2 LYS 439 -0.638 -5.917 -9.006 51 HB3 LYS 439 HB1 LYS 439 -1.271 -4.612 -8.019 52 HG2 LYS 439 HG2 LYS 439 0.290 -3.191 -9.672 53 HG3 LYS 439 HG1 LYS 439 -0.121 -4.543 -10.730 54 HD2 LYS 439 HD2 LYS 439 -1.740 -2.759 -11.013 55 HD3 LYS 439 HD1 LYS 439 -2.513 -4.154 -10.258 56 HE2 LYS 439 HE2 LYS 439 -2.288 -3.092 -8.066 57 HE3 LYS 439 HE1 LYS 439 -1.508 -1.701 -8.815 58 HZ1 LYS 439 HZ1 LYS 439 -3.529 -1.225 -10.014 59 HZ2 LYS 439 HZ2 LYS 439 -3.869 -1.324 -8.353 60 HZ3 LYS 439 HZ3 LYS 439 -4.282 -2.611 -9.387 61 H THR 440 HN THR 440 2.247 -6.665 -6.770 62 HA THR 440 HA THR 440 4.115 -6.967 -8.976 63 HB THR 440 HB THR 440 5.280 -8.559 -7.460 64 HG1 THR 440 HG1 THR 440 3.358 -7.777 -5.502 65 HG21 THR 440 HG21 THR 440 4.598 -5.893 -6.213 66 HG22 THR 440 HG22 THR 440 5.862 -6.186 -7.406 67 HG23 THR 440 HG23 THR 440 5.987 -6.896 -5.799 68 H ALA 441 HN ALA 441 4.557 -8.980 -10.007 69 HA ALA 441 HA ALA 441 2.216 -10.258 -10.913 70 HB1 ALA 441 HB1 ALA 441 5.076 -11.128 -11.276 71 HB2 ALA 441 HB2 ALA 441 4.216 -9.971 -12.292 72 HB3 ALA 441 HB3 ALA 441 3.694 -11.654 -12.236 73 H ASP 442 HN ASP 442 4.049 -10.847 -8.140 74 HA ASP 442 HA ASP 442 3.574 -13.657 -7.902 75 HB2 ASP 442 HB2 ASP 442 5.386 -12.428 -6.677 76 HB3 ASP 442 HB1 ASP 442 4.145 -11.653 -5.700 77 H GLY 443 HN GLY 443 1.558 -11.047 -7.894 78 HA2 GLY 443 HA2 GLY 443 -0.768 -11.169 -7.743 79 HA3 GLY 443 HA1 GLY 443 -0.615 -12.667 -6.835 80 H LYS 444 HN LYS 444 1.191 -9.804 -6.016 81 HA LYS 444 HA LYS 444 -0.505 -9.498 -3.630 82 HB2 LYS 444 HB2 LYS 444 2.506 -9.680 -3.739 83 HB3 LYS 444 HB1 LYS 444 1.627 -9.086 -2.337 84 HG2 LYS 444 HG2 LYS 444 0.612 -11.192 -1.967 85 HG3 LYS 444 HG1 LYS 444 1.144 -11.797 -3.537 86 HD2 LYS 444 HD2 LYS 444 3.480 -11.629 -2.785 87 HD3 LYS 444 HD1 LYS 444 2.916 -11.090 -1.202 88 HE2 LYS 444 HE2 LYS 444 2.005 -13.169 -0.682 89 HE3 LYS 444 HE1 LYS 444 1.935 -13.667 -2.372 90 HZ1 LYS 444 HZ1 LYS 444 4.412 -13.344 -0.756 91 HZ2 LYS 444 HZ2 LYS 444 4.348 -13.786 -2.396 92 HZ3 LYS 444 HZ3 LYS 444 3.699 -14.816 -1.214 93 H THR 445 HN THR 445 -1.306 -7.558 -3.562 94 HA THR 445 HA THR 445 0.118 -5.288 -4.705 95 HB THR 445 HB THR 445 -1.976 -4.040 -3.882 96 HG1 THR 445 HG1 THR 445 -2.722 -5.659 -2.461 97 HG21 THR 445 HG21 THR 445 -3.346 -4.850 -5.782 98 HG22 THR 445 HG22 THR 445 -2.212 -6.188 -5.999 99 HG23 THR 445 HG23 THR 445 -1.672 -4.525 -6.228 100 H TYR 446 HN TYR 446 1.778 -4.739 -3.339 101 HA TYR 446 HA TYR 446 1.147 -4.530 -0.506 102 HB2 TYR 446 HB2 TYR 446 3.454 -4.245 -0.071 103 HB3 TYR 446 HB1 TYR 446 3.298 -5.570 -1.197 104 HD1 TYR 446 HD1 TYR 446 4.068 -5.273 -3.557 105 HD2 TYR 446 HD2 TYR 446 4.638 -2.268 -0.602 106 HE1 TYR 446 HE1 TYR 446 5.814 -4.235 -4.950 107 HE2 TYR 446 HE2 TYR 446 6.372 -1.220 -1.989 108 HH TYR 446 HH TYR 446 7.888 -1.744 -3.761 109 H TYR 447 HN TYR 447 0.953 -2.712 0.571 110 HA TYR 447 HA TYR 447 1.145 -0.248 -0.991 111 HB2 TYR 447 HB2 TYR 447 -0.424 -0.850 1.519 112 HB3 TYR 447 HB1 TYR 447 -0.316 0.739 0.779 113 HD1 TYR 447 HD2 TYR 447 -1.250 -2.775 -0.152 114 HD2 TYR 447 HD1 TYR 447 -2.015 1.383 -0.634 115 HE1 TYR 447 HE2 TYR 447 -3.197 -3.305 -1.551 116 HE2 TYR 447 HE1 TYR 447 -3.973 0.862 -2.028 117 HH TYR 447 HH TYR 447 -4.797 -0.973 -3.428 118 H TYR 448 HN TYR 448 3.335 0.132 -0.739 119 HA TYR 448 HA TYR 448 4.331 0.607 1.937 120 HB2 TYR 448 HB2 TYR 448 6.050 -0.102 0.514 121 HB3 TYR 448 HB1 TYR 448 5.489 0.898 -0.822 122 HD1 TYR 448 HD1 TYR 448 6.620 1.484 2.715 123 HD2 TYR 448 HD2 TYR 448 6.899 2.621 -1.379 124 HE1 TYR 448 HE1 TYR 448 8.241 3.243 3.319 125 HE2 TYR 448 HE2 TYR 448 8.522 4.367 -0.788 126 HH TYR 448 HH TYR 448 9.140 5.715 1.201 127 H ASN 449 HN ASN 449 4.075 2.335 3.020 128 HA ASN 449 HA ASN 449 2.903 4.706 1.743 129 HB2 ASN 449 HB2 ASN 449 1.307 4.031 3.239 130 HB3 ASN 449 HB1 ASN 449 2.481 3.266 4.304 131 HD21 ASN 449 HD21 ASN 449 1.137 6.329 3.297 132 HD22 ASN 449 HD22 ASN 449 1.467 7.159 4.770 133 H ASN 450 HN ASN 450 3.759 6.694 2.050 134 HA ASN 450 HA ASN 450 6.393 6.807 3.314 135 HB2 ASN 450 HB2 ASN 450 6.715 8.877 2.096 136 HB3 ASN 450 HB1 ASN 450 6.115 7.647 0.987 137 HD21 ASN 450 HD21 ASN 450 5.991 10.560 0.803 138 HD22 ASN 450 HD22 ASN 450 4.303 10.945 0.645 139 H ARG 451 HN ARG 451 3.178 7.598 4.030 140 HA ARG 451 HA ARG 451 3.491 9.992 5.455 141 HB2 ARG 451 HB2 ARG 451 1.460 7.825 5.881 142 HB3 ARG 451 HB1 ARG 451 1.418 9.396 6.665 143 HG2 ARG 451 HG2 ARG 451 1.049 8.755 3.759 144 HG3 ARG 451 HG1 ARG 451 -0.074 9.548 4.865 145 HD2 ARG 451 HD2 ARG 451 2.502 10.657 3.762 146 HD3 ARG 451 HD1 ARG 451 0.864 11.196 3.400 147 HE ARG 451 HE ARG 451 1.230 11.455 6.153 148 HH11 ARG 451 HH11 ARG 451 2.444 12.814 3.153 149 HH12 ARG 451 HH12 ARG 451 2.911 14.323 3.888 150 HH21 ARG 451 HH21 ARG 451 1.834 13.445 7.127 151 HH22 ARG 451 HH22 ARG 451 2.555 14.694 6.139 152 H THR 452 HN THR 452 3.577 6.642 6.532 153 HA THR 452 HA THR 452 4.895 7.557 9.000 154 HB THR 452 HB THR 452 3.504 4.919 8.857 155 HG1 THR 452 HG1 THR 452 1.543 5.789 9.006 156 HG21 THR 452 HG21 THR 452 4.779 5.520 10.849 157 HG22 THR 452 HG22 THR 452 3.056 5.417 11.211 158 HG23 THR 452 HG23 THR 452 3.825 6.993 11.023 159 H LEU 453 HN LEU 453 5.547 6.200 6.110 160 HA LEU 453 HA LEU 453 7.145 4.841 5.226 161 HB2 LEU 453 HB2 LEU 453 8.230 5.350 7.949 162 HB3 LEU 453 HB1 LEU 453 8.920 4.013 7.054 163 HG LEU 453 HG LEU 453 10.129 6.252 6.895 164 HD11 LEU 453 HD11 LEU 453 10.274 4.250 5.291 165 HD12 LEU 453 HD12 LEU 453 10.853 5.814 4.721 166 HD13 LEU 453 HD13 LEU 453 9.275 5.224 4.212 167 HD21 LEU 453 HD21 LEU 453 9.270 7.880 5.344 168 HD22 LEU 453 HD22 LEU 453 8.061 7.605 6.601 169 HD23 LEU 453 HD23 LEU 453 7.864 6.867 5.005 170 H GLU 454 HN GLU 454 4.698 3.829 6.190 171 HA GLU 454 HA GLU 454 5.314 1.298 7.515 172 HB2 GLU 454 HB2 GLU 454 2.670 2.578 6.802 173 HB3 GLU 454 HB1 GLU 454 2.842 1.030 7.614 174 HG2 GLU 454 HG2 GLU 454 4.025 2.198 9.457 175 HG3 GLU 454 HG1 GLU 454 3.663 3.726 8.652 176 H SER 455 HN SER 455 5.615 -0.488 6.369 177 HA SER 455 HA SER 455 4.493 -0.675 3.682 178 HB2 SER 455 HB2 SER 455 6.845 -1.471 4.141 179 HB3 SER 455 HB1 SER 455 6.162 -2.732 5.163 180 HG SER 455 HG SER 455 6.469 -2.707 2.500 181 H THR 456 HN THR 456 2.396 -1.179 3.662 182 HA THR 456 HA THR 456 1.437 -3.092 5.678 183 HB THR 456 HB THR 456 0.588 -0.963 6.371 184 HG1 THR 456 HG1 THR 456 -1.795 -1.546 5.367 185 HG21 THR 456 HG21 THR 456 -0.665 0.541 4.995 186 HG22 THR 456 HG22 THR 456 -0.645 -0.591 3.649 187 HG23 THR 456 HG23 THR 456 0.851 0.189 4.163 188 H TRP 457 HN TRP 457 0.204 -4.698 5.001 189 HA TRP 457 HA TRP 457 -0.107 -4.882 2.082 190 HB2 TRP 457 HB2 TRP 457 0.693 -7.007 4.100 191 HB3 TRP 457 HB1 TRP 457 0.378 -7.331 2.390 192 HD1 TRP 457 HD1 TRP 457 2.553 -4.749 4.321 193 HE1 TRP 457 HE1 TRP 457 4.785 -4.459 3.088 194 HE3 TRP 457 HE3 TRP 457 1.860 -8.169 0.570 195 HZ2 TRP 457 HZ2 TRP 457 6.064 -5.486 0.843 196 HZ3 TRP 457 HZ3 TRP 457 3.675 -8.481 -1.066 197 HH2 TRP 457 HH2 TRP 457 5.747 -7.187 -0.921 198 H GLU 458 HN GLU 458 -1.754 -4.158 4.535 199 HA GLU 458 HA GLU 458 -4.180 -5.624 3.754 200 HB2 GLU 458 HB2 GLU 458 -3.626 -3.878 6.166 201 HB3 GLU 458 HB1 GLU 458 -5.154 -4.681 5.824 202 HG2 GLU 458 HG2 GLU 458 -4.171 -6.831 6.107 203 HG3 GLU 458 HG1 GLU 458 -2.553 -6.135 6.210 204 H LYS 459 HN LYS 459 -5.796 -4.505 2.757 205 HA LYS 459 HA LYS 459 -5.009 -2.189 1.339 206 HB2 LYS 459 HB2 LYS 459 -7.705 -3.527 1.555 207 HB3 LYS 459 HB1 LYS 459 -7.266 -2.314 0.355 208 HG2 LYS 459 HG2 LYS 459 -5.889 -3.743 -0.795 209 HG3 LYS 459 HG1 LYS 459 -5.586 -4.760 0.610 210 HD2 LYS 459 HD2 LYS 459 -8.012 -5.464 0.456 211 HD3 LYS 459 HD1 LYS 459 -8.042 -4.663 -1.117 212 HE2 LYS 459 HE2 LYS 459 -6.406 -6.123 -2.000 213 HE3 LYS 459 HE1 LYS 459 -6.004 -6.752 -0.403 214 HZ1 LYS 459 HZ1 LYS 459 -7.319 -8.365 -1.493 215 HZ2 LYS 459 HZ2 LYS 459 -8.486 -7.224 -1.956 216 HZ3 LYS 459 HZ3 LYS 459 -8.314 -7.648 -0.320 217 HA PRO 460 HA PRO 460 -6.044 0.869 4.460 218 HB2 PRO 460 HB2 PRO 460 -5.688 2.637 2.100 219 HB3 PRO 460 HB1 PRO 460 -4.934 2.726 3.695 220 HG2 PRO 460 HG2 PRO 460 -3.568 1.888 1.566 221 HG3 PRO 460 HG1 PRO 460 -3.323 1.162 3.163 222 HD2 PRO 460 HD2 PRO 460 -4.809 0.105 0.803 223 HD3 PRO 460 HD1 PRO 460 -3.822 -0.758 2.000 224 H GLN 461 HN GLN 461 -7.960 1.648 5.044 225 HA GLN 461 HA GLN 461 -10.082 1.730 3.032 226 HB2 GLN 461 HB2 GLN 461 -11.626 1.765 4.991 227 HB3 GLN 461 HB1 GLN 461 -10.624 0.327 4.887 228 HG2 GLN 461 HG2 GLN 461 -9.109 1.310 6.575 229 HG3 GLN 461 HG1 GLN 461 -10.219 2.675 6.723 230 HE21 GLN 461 HE21 GLN 461 -10.607 2.223 8.896 231 HE22 GLN 461 HE22 GLN 461 -11.592 0.880 9.390 232 H GLU 462 HN GLU 462 -8.011 3.805 4.688 233 HA GLU 462 HA GLU 462 -9.827 6.069 4.586 234 HB2 GLU 462 HB2 GLU 462 -7.807 7.420 5.218 235 HB3 GLU 462 HB1 GLU 462 -8.255 6.181 6.374 236 HG2 GLU 462 HG2 GLU 462 -6.088 5.744 4.332 237 HG3 GLU 462 HG1 GLU 462 -5.788 6.516 5.884 238 H LEU 463 HN LEU 463 -8.147 4.331 2.388 239 HA LEU 463 HA LEU 463 -7.651 6.562 0.570 240 HB2 LEU 463 HB2 LEU 463 -6.005 4.721 0.732 241 HB3 LEU 463 HB1 LEU 463 -7.235 3.587 0.213 242 HG LEU 463 HG LEU 463 -7.354 4.722 -1.970 243 HD11 LEU 463 HD11 LEU 463 -5.676 6.384 -2.576 244 HD12 LEU 463 HD12 LEU 463 -5.064 6.379 -0.922 245 HD13 LEU 463 HD13 LEU 463 -6.695 6.961 -1.257 246 HD21 LEU 463 HD21 LEU 463 -5.177 3.976 -2.801 247 HD22 LEU 463 HD22 LEU 463 -5.876 2.812 -1.676 248 HD23 LEU 463 HD23 LEU 463 -4.578 3.881 -1.145 249 H LYS 464 HN LYS 464 -10.206 4.774 1.556 250 HA LYS 464 HA LYS 464 -11.545 4.876 -1.062 251 HB2 LYS 464 HB2 LYS 464 -11.399 2.620 -0.004 252 HB3 LYS 464 HB1 LYS 464 -12.287 3.240 1.379 253 HG2 LYS 464 HG2 LYS 464 -13.786 2.009 -0.020 254 HG3 LYS 464 HG1 LYS 464 -14.201 3.721 -0.113 255 HD2 LYS 464 HD2 LYS 464 -14.290 2.738 -2.320 256 HD3 LYS 464 HD1 LYS 464 -12.947 3.878 -2.234 257 HE2 LYS 464 HE2 LYS 464 -12.301 1.837 -3.409 258 HE3 LYS 464 HE1 LYS 464 -11.386 2.029 -1.915 259 HZ1 LYS 464 HZ1 LYS 464 -12.657 0.363 -0.862 260 HZ2 LYS 464 HZ2 LYS 464 -12.276 -0.260 -2.396 261 HZ3 LYS 464 HZ3 LYS 464 -13.826 0.353 -2.091 Start of MODEL 3 1 H SER 433 HT1 SER 433 -3.902 7.639 -5.462 2 HA SER 433 HA SER 433 -1.638 8.075 -6.012 3 HB2 SER 433 HB2 SER 433 -2.939 10.548 -4.846 4 HB3 SER 433 HB1 SER 433 -1.772 10.490 -6.169 5 HG SER 433 HG SER 433 -4.184 10.615 -6.626 6 H GLU 434 HN GLU 434 -2.431 8.801 -2.670 7 HA GLU 434 HA GLU 434 0.092 9.921 -1.974 8 HB2 GLU 434 HB2 GLU 434 -1.932 10.368 -0.685 9 HB3 GLU 434 HB1 GLU 434 -2.071 8.668 -0.272 10 HG2 GLU 434 HG2 GLU 434 -1.212 9.875 1.603 11 HG3 GLU 434 HG1 GLU 434 0.050 8.823 0.964 12 H TRP 435 HN TRP 435 -1.322 6.705 -1.580 13 HA TRP 435 HA TRP 435 1.119 5.711 -0.339 14 HB2 TRP 435 HB2 TRP 435 -1.524 4.305 -0.847 15 HB3 TRP 435 HB1 TRP 435 -0.219 3.732 0.190 16 HD1 TRP 435 HD1 TRP 435 -2.831 6.576 0.026 17 HE1 TRP 435 HE1 TRP 435 -3.254 7.451 2.409 18 HE3 TRP 435 HE3 TRP 435 0.614 3.755 2.532 19 HZ2 TRP 435 HZ2 TRP 435 -2.257 6.987 5.018 20 HZ3 TRP 435 HZ3 TRP 435 0.811 4.021 4.966 21 HH2 TRP 435 HH2 TRP 435 -0.573 5.622 6.179 22 H THR 436 HN THR 436 2.321 3.914 -1.226 23 HA THR 436 HA THR 436 2.099 3.754 -4.128 24 HB THR 436 HB THR 436 4.170 2.626 -2.232 25 HG1 THR 436 HG1 THR 436 3.898 4.988 -3.441 26 HG21 THR 436 HG21 THR 436 3.872 1.082 -4.119 27 HG22 THR 436 HG22 THR 436 5.419 1.925 -4.234 28 HG23 THR 436 HG23 THR 436 4.068 2.423 -5.250 29 H GLU 437 HN GLU 437 0.465 2.477 -4.701 30 HA GLU 437 HA GLU 437 0.223 -0.147 -3.473 31 HB2 GLU 437 HB2 GLU 437 -1.719 -0.449 -4.995 32 HB3 GLU 437 HB1 GLU 437 -1.877 0.940 -3.937 33 HG2 GLU 437 HG2 GLU 437 -0.959 1.150 -6.792 34 HG3 GLU 437 HG1 GLU 437 -2.650 1.234 -6.314 35 H ARG 438 HN ARG 438 2.058 -1.166 -4.047 36 HA ARG 438 HA ARG 438 2.771 -1.212 -6.880 37 HB2 ARG 438 HB2 ARG 438 4.518 -0.667 -5.196 38 HB3 ARG 438 HB1 ARG 438 4.320 -2.274 -4.514 39 HG2 ARG 438 HG2 ARG 438 5.143 -3.298 -6.514 40 HG3 ARG 438 HG1 ARG 438 5.160 -1.746 -7.359 41 HD2 ARG 438 HD2 ARG 438 6.857 -0.911 -5.849 42 HD3 ARG 438 HD1 ARG 438 6.791 -2.400 -4.911 43 HE ARG 438 HE ARG 438 7.433 -2.922 -7.637 44 HH11 ARG 438 HH11 ARG 438 8.753 -1.763 -4.615 45 HH12 ARG 438 HH12 ARG 438 10.380 -2.236 -4.992 46 HH21 ARG 438 HH21 ARG 438 9.574 -3.538 -8.151 47 HH22 ARG 438 HH22 ARG 438 10.849 -3.246 -7.004 48 H LYS 439 HN LYS 439 1.946 -2.726 -8.038 49 HA LYS 439 HA LYS 439 1.049 -5.191 -6.798 50 HB2 LYS 439 HB2 LYS 439 -0.015 -5.645 -9.010 51 HB3 LYS 439 HB1 LYS 439 -0.581 -4.178 -8.234 52 HG2 LYS 439 HG2 LYS 439 1.542 -4.145 -10.360 53 HG3 LYS 439 HG1 LYS 439 -0.179 -4.091 -10.738 54 HD2 LYS 439 HD2 LYS 439 1.270 -2.117 -8.968 55 HD3 LYS 439 HD1 LYS 439 0.876 -1.850 -10.666 56 HE2 LYS 439 HE2 LYS 439 -1.483 -1.954 -10.189 57 HE3 LYS 439 HE1 LYS 439 -1.164 -2.413 -8.516 58 HZ1 LYS 439 HZ1 LYS 439 -0.291 0.166 -9.708 59 HZ2 LYS 439 HZ2 LYS 439 -0.252 -0.276 -8.073 60 HZ3 LYS 439 HZ3 LYS 439 -1.742 -0.029 -8.847 61 H THR 440 HN THR 440 2.606 -6.596 -6.523 62 HA THR 440 HA THR 440 4.684 -6.930 -8.522 63 HB THR 440 HB THR 440 5.645 -8.583 -6.967 64 HG1 THR 440 HG1 THR 440 3.441 -7.962 -5.259 65 HG21 THR 440 HG21 THR 440 6.172 -6.199 -6.662 66 HG22 THR 440 HG22 THR 440 6.167 -7.069 -5.128 67 HG23 THR 440 HG23 THR 440 4.800 -6.046 -5.564 68 H ALA 441 HN ALA 441 5.110 -8.872 -9.621 69 HA ALA 441 HA ALA 441 2.823 -9.962 -10.839 70 HB1 ALA 441 HB1 ALA 441 4.368 -11.340 -12.105 71 HB2 ALA 441 HB2 ALA 441 5.665 -10.950 -10.976 72 HB3 ALA 441 HB3 ALA 441 4.966 -9.685 -11.988 73 H ASP 442 HN ASP 442 4.440 -10.884 -7.988 74 HA ASP 442 HA ASP 442 3.790 -13.662 -8.015 75 HB2 ASP 442 HB2 ASP 442 5.545 -12.528 -6.571 76 HB3 ASP 442 HB1 ASP 442 4.219 -11.940 -5.573 77 H GLY 443 HN GLY 443 1.864 -10.986 -7.901 78 HA2 GLY 443 HA2 GLY 443 -0.474 -10.986 -7.746 79 HA3 GLY 443 HA1 GLY 443 -0.402 -12.521 -6.890 80 H LYS 444 HN LYS 444 1.682 -9.946 -5.933 81 HA LYS 444 HA LYS 444 0.075 -9.675 -3.477 82 HB2 LYS 444 HB2 LYS 444 3.073 -9.354 -3.750 83 HB3 LYS 444 HB1 LYS 444 2.143 -9.250 -2.269 84 HG2 LYS 444 HG2 LYS 444 2.409 -11.729 -3.954 85 HG3 LYS 444 HG1 LYS 444 3.351 -11.379 -2.505 86 HD2 LYS 444 HD2 LYS 444 1.143 -11.177 -1.283 87 HD3 LYS 444 HD1 LYS 444 0.389 -11.865 -2.723 88 HE2 LYS 444 HE2 LYS 444 2.556 -13.157 -1.066 89 HE3 LYS 444 HE1 LYS 444 0.846 -13.577 -1.031 90 HZ1 LYS 444 HZ1 LYS 444 2.654 -13.852 -3.381 91 HZ2 LYS 444 HZ2 LYS 444 1.004 -14.259 -3.347 92 HZ3 LYS 444 HZ3 LYS 444 2.110 -15.114 -2.388 93 H THR 445 HN THR 445 -0.980 -7.800 -3.562 94 HA THR 445 HA THR 445 0.337 -5.405 -4.582 95 HB THR 445 HB THR 445 -1.976 -4.413 -3.839 96 HG1 THR 445 HG1 THR 445 -2.778 -6.208 -2.764 97 HG21 THR 445 HG21 THR 445 -2.921 -4.932 -6.003 98 HG22 THR 445 HG22 THR 445 -1.816 -6.294 -6.197 99 HG23 THR 445 HG23 THR 445 -1.190 -4.644 -6.173 100 H TYR 446 HN TYR 446 1.562 -4.277 -3.167 101 HA TYR 446 HA TYR 446 0.581 -4.157 -0.398 102 HB2 TYR 446 HB2 TYR 446 2.763 -4.209 0.462 103 HB3 TYR 446 HB1 TYR 446 2.707 -5.480 -0.740 104 HD1 TYR 446 HD1 TYR 446 3.937 -5.194 -2.903 105 HD2 TYR 446 HD2 TYR 446 4.231 -2.360 0.259 106 HE1 TYR 446 HE1 TYR 446 5.998 -4.293 -3.901 107 HE2 TYR 446 HE2 TYR 446 6.279 -1.449 -0.738 108 HH TYR 446 HH TYR 446 8.061 -2.153 -2.213 109 H TYR 447 HN TYR 447 0.487 -2.223 0.579 110 HA TYR 447 HA TYR 447 1.143 0.091 -1.095 111 HB2 TYR 447 HB2 TYR 447 -0.748 -0.182 1.249 112 HB3 TYR 447 HB1 TYR 447 -0.389 1.338 0.443 113 HD1 TYR 447 HD2 TYR 447 -1.434 -2.125 -0.601 114 HD2 TYR 447 HD1 TYR 447 -2.017 2.073 -0.993 115 HE1 TYR 447 HE2 TYR 447 -3.260 -2.535 -2.201 116 HE2 TYR 447 HE1 TYR 447 -3.842 1.675 -2.586 117 HH TYR 447 HH TYR 447 -4.611 -0.049 -4.111 118 H TYR 448 HN TYR 448 3.386 0.071 -0.538 119 HA TYR 448 HA TYR 448 4.060 0.845 2.182 120 HB2 TYR 448 HB2 TYR 448 5.726 -0.493 1.176 121 HB3 TYR 448 HB1 TYR 448 5.683 0.434 -0.318 122 HD1 TYR 448 HD1 TYR 448 6.204 1.314 3.306 123 HD2 TYR 448 HD2 TYR 448 7.644 1.549 -0.696 124 HE1 TYR 448 HE1 TYR 448 8.109 2.684 4.074 125 HE2 TYR 448 HE2 TYR 448 9.542 2.909 0.061 126 HH TYR 448 HH TYR 448 10.141 4.358 1.914 127 H ASN 449 HN ASN 449 4.294 2.836 2.923 128 HA ASN 449 HA ASN 449 4.653 5.046 1.040 129 HB2 ASN 449 HB2 ASN 449 2.185 4.715 1.661 130 HB3 ASN 449 HB1 ASN 449 2.642 5.219 3.282 131 HD21 ASN 449 HD21 ASN 449 0.800 6.501 1.511 132 HD22 ASN 449 HD22 ASN 449 1.415 8.087 1.188 133 H ASN 450 HN ASN 450 5.583 6.885 1.968 134 HA ASN 450 HA ASN 450 7.389 6.259 4.158 135 HB2 ASN 450 HB2 ASN 450 7.302 8.435 2.068 136 HB3 ASN 450 HB1 ASN 450 8.380 8.537 3.452 137 HD21 ASN 450 HD21 ASN 450 10.161 7.249 3.556 138 HD22 ASN 450 HD22 ASN 450 10.707 6.275 2.230 139 H ARG 451 HN ARG 451 4.409 7.443 3.838 140 HA ARG 451 HA ARG 451 4.284 9.660 5.542 141 HB2 ARG 451 HB2 ARG 451 2.313 7.417 5.151 142 HB3 ARG 451 HB1 ARG 451 1.974 8.840 6.123 143 HG2 ARG 451 HG2 ARG 451 2.696 8.929 3.202 144 HG3 ARG 451 HG1 ARG 451 1.045 8.898 3.814 145 HD2 ARG 451 HD2 ARG 451 1.580 11.168 3.355 146 HD3 ARG 451 HD1 ARG 451 1.578 10.976 5.106 147 HE ARG 451 HE ARG 451 3.947 11.151 5.106 148 HH11 ARG 451 HH11 ARG 451 2.523 11.597 1.934 149 HH12 ARG 451 HH12 ARG 451 3.878 12.487 1.314 150 HH21 ARG 451 HH21 ARG 451 5.751 12.297 4.274 151 HH22 ARG 451 HH22 ARG 451 5.703 12.895 2.639 152 H THR 452 HN THR 452 3.920 6.238 6.369 153 HA THR 452 HA THR 452 4.894 6.907 9.056 154 HB THR 452 HB THR 452 2.638 6.269 9.334 155 HG1 THR 452 HG1 THR 452 4.590 4.445 10.080 156 HG21 THR 452 HG21 THR 452 1.681 4.195 8.440 157 HG22 THR 452 HG22 THR 452 3.204 3.853 7.619 158 HG23 THR 452 HG23 THR 452 2.246 5.259 7.154 159 H LEU 453 HN LEU 453 5.852 5.583 6.254 160 HA LEU 453 HA LEU 453 7.472 4.139 5.581 161 HB2 LEU 453 HB2 LEU 453 8.159 4.538 8.446 162 HB3 LEU 453 HB1 LEU 453 8.906 3.183 7.624 163 HG LEU 453 HG LEU 453 10.311 5.234 7.644 164 HD11 LEU 453 HD11 LEU 453 10.402 3.443 5.859 165 HD12 LEU 453 HD12 LEU 453 11.051 5.020 5.413 166 HD13 LEU 453 HD13 LEU 453 9.454 4.536 4.849 167 HD21 LEU 453 HD21 LEU 453 9.714 7.104 6.236 168 HD22 LEU 453 HD22 LEU 453 8.458 6.853 7.451 169 HD23 LEU 453 HD23 LEU 453 8.202 6.311 5.788 170 H GLU 454 HN GLU 454 4.871 3.230 6.159 171 HA GLU 454 HA GLU 454 5.343 0.499 7.168 172 HB2 GLU 454 HB2 GLU 454 2.992 2.345 7.521 173 HB3 GLU 454 HB1 GLU 454 2.812 0.604 7.677 174 HG2 GLU 454 HG2 GLU 454 4.846 2.127 9.265 175 HG3 GLU 454 HG1 GLU 454 3.174 1.957 9.803 176 H SER 455 HN SER 455 4.417 -1.185 6.069 177 HA SER 455 HA SER 455 3.166 -0.482 3.515 178 HB2 SER 455 HB2 SER 455 3.845 -2.835 2.831 179 HB3 SER 455 HB1 SER 455 5.162 -1.685 3.050 180 HG SER 455 HG SER 455 5.737 -2.656 4.912 181 H THR 456 HN THR 456 1.092 -0.681 3.485 182 HA THR 456 HA THR 456 -0.240 -2.491 5.353 183 HB THR 456 HB THR 456 -2.315 -1.310 4.578 184 HG1 THR 456 HG1 THR 456 -1.329 -0.674 2.516 185 HG21 THR 456 HG21 THR 456 -1.667 0.934 5.590 186 HG22 THR 456 HG22 THR 456 -0.026 0.294 5.710 187 HG23 THR 456 HG23 THR 456 -1.345 -0.490 6.581 188 H TRP 457 HN TRP 457 -0.522 -4.491 4.626 189 HA TRP 457 HA TRP 457 -0.739 -4.959 1.759 190 HB2 TRP 457 HB2 TRP 457 -0.307 -6.904 4.052 191 HB3 TRP 457 HB1 TRP 457 -0.307 -7.336 2.337 192 HD1 TRP 457 HD1 TRP 457 1.573 -4.855 4.644 193 HE1 TRP 457 HE1 TRP 457 3.978 -4.594 3.791 194 HE3 TRP 457 HE3 TRP 457 1.353 -8.009 0.617 195 HZ2 TRP 457 HZ2 TRP 457 5.563 -5.554 1.695 196 HZ3 TRP 457 HZ3 TRP 457 3.387 -8.304 -0.742 197 HH2 TRP 457 HH2 TRP 457 5.450 -7.116 -0.208 198 H GLU 458 HN GLU 458 -2.684 -4.412 4.323 199 HA GLU 458 HA GLU 458 -4.994 -5.489 2.857 200 HB2 GLU 458 HB2 GLU 458 -4.715 -4.541 5.717 201 HB3 GLU 458 HB1 GLU 458 -6.268 -4.853 4.955 202 HG2 GLU 458 HG2 GLU 458 -4.070 -6.856 5.417 203 HG3 GLU 458 HG1 GLU 458 -5.587 -6.735 6.307 204 H LYS 459 HN LYS 459 -6.586 -4.010 2.196 205 HA LYS 459 HA LYS 459 -5.578 -1.560 1.284 206 HB2 LYS 459 HB2 LYS 459 -8.426 -2.531 1.469 207 HB3 LYS 459 HB1 LYS 459 -7.906 -1.121 0.553 208 HG2 LYS 459 HG2 LYS 459 -6.479 -2.559 -0.828 209 HG3 LYS 459 HG1 LYS 459 -7.037 -3.964 0.076 210 HD2 LYS 459 HD2 LYS 459 -8.276 -3.862 -1.967 211 HD3 LYS 459 HD1 LYS 459 -9.361 -3.419 -0.651 212 HE2 LYS 459 HE2 LYS 459 -7.904 -1.362 -2.283 213 HE3 LYS 459 HE1 LYS 459 -9.461 -2.020 -2.781 214 HZ1 LYS 459 HZ1 LYS 459 -10.504 -1.135 -0.888 215 HZ2 LYS 459 HZ2 LYS 459 -9.515 0.116 -1.475 216 HZ3 LYS 459 HZ3 LYS 459 -9.034 -0.789 -0.131 217 HA PRO 460 HA PRO 460 -6.068 0.740 5.123 218 HB2 PRO 460 HB2 PRO 460 -5.310 3.044 3.458 219 HB3 PRO 460 HB1 PRO 460 -4.527 2.392 4.899 220 HG2 PRO 460 HG2 PRO 460 -3.454 2.134 2.446 221 HG3 PRO 460 HG1 PRO 460 -3.262 0.900 3.702 222 HD2 PRO 460 HD2 PRO 460 -5.054 0.912 1.317 223 HD3 PRO 460 HD1 PRO 460 -4.169 -0.431 2.070 224 H GLN 461 HN GLN 461 -7.787 1.713 5.938 225 HA GLN 461 HA GLN 461 -9.990 2.513 4.324 226 HB2 GLN 461 HB2 GLN 461 -10.972 3.303 6.499 227 HB3 GLN 461 HB1 GLN 461 -10.485 1.615 6.486 228 HG2 GLN 461 HG2 GLN 461 -8.715 3.778 7.582 229 HG3 GLN 461 HG1 GLN 461 -9.944 2.977 8.558 230 HE21 GLN 461 HE21 GLN 461 -6.950 3.016 8.653 231 HE22 GLN 461 HE22 GLN 461 -6.499 1.336 8.700 232 H GLU 462 HN GLU 462 -7.165 4.080 5.290 233 HA GLU 462 HA GLU 462 -8.138 6.768 5.236 234 HB2 GLU 462 HB2 GLU 462 -5.430 5.491 5.222 235 HB3 GLU 462 HB1 GLU 462 -5.581 7.194 4.826 236 HG2 GLU 462 HG2 GLU 462 -5.010 6.793 7.179 237 HG3 GLU 462 HG1 GLU 462 -6.524 7.672 6.980 238 H LEU 463 HN LEU 463 -7.426 4.457 2.847 239 HA LEU 463 HA LEU 463 -7.221 6.571 0.808 240 HB2 LEU 463 HB2 LEU 463 -5.147 5.240 1.105 241 HB3 LEU 463 HB1 LEU 463 -6.043 3.799 0.665 242 HG LEU 463 HG LEU 463 -6.497 4.826 -1.561 243 HD11 LEU 463 HD11 LEU 463 -4.519 6.900 -0.623 244 HD12 LEU 463 HD12 LEU 463 -6.237 7.167 -0.916 245 HD13 LEU 463 HD13 LEU 463 -5.169 6.749 -2.256 246 HD21 LEU 463 HD21 LEU 463 -3.589 4.556 -0.823 247 HD22 LEU 463 HD22 LEU 463 -4.270 4.422 -2.444 248 HD23 LEU 463 HD23 LEU 463 -4.678 3.226 -1.214 249 H LYS 464 HN LYS 464 -8.664 3.488 1.666 250 HA LYS 464 HA LYS 464 -10.429 2.322 0.874 251 HB2 LYS 464 HB2 LYS 464 -11.046 4.935 -0.508 252 HB3 LYS 464 HB1 LYS 464 -12.099 3.530 -0.577 253 HG2 LYS 464 HG2 LYS 464 -12.304 3.596 1.874 254 HG3 LYS 464 HG1 LYS 464 -11.312 5.052 1.896 255 HD2 LYS 464 HD2 LYS 464 -13.611 5.710 2.029 256 HD3 LYS 464 HD1 LYS 464 -13.005 6.150 0.433 257 HE2 LYS 464 HE2 LYS 464 -14.459 3.565 0.915 258 HE3 LYS 464 HE1 LYS 464 -15.325 5.063 0.589 259 HZ1 LYS 464 HZ1 LYS 464 -15.051 3.875 -1.444 260 HZ2 LYS 464 HZ2 LYS 464 -13.385 3.700 -1.202 261 HZ3 LYS 464 HZ3 LYS 464 -14.037 5.233 -1.504 Start of MODEL 4 1 H SER 433 HT1 SER 433 -0.322 8.847 -5.342 2 HA SER 433 HA SER 433 1.899 7.802 -5.161 3 HB2 SER 433 HB2 SER 433 3.024 10.023 -4.556 4 HB3 SER 433 HB1 SER 433 1.828 10.074 -5.854 5 HG SER 433 HG SER 433 1.324 11.740 -4.514 6 H GLU 434 HN GLU 434 0.865 9.468 -2.202 7 HA GLU 434 HA GLU 434 2.951 8.502 -0.567 8 HB2 GLU 434 HB2 GLU 434 1.643 9.316 1.297 9 HB3 GLU 434 HB1 GLU 434 1.550 10.478 -0.017 10 HG2 GLU 434 HG2 GLU 434 -0.579 8.434 0.563 11 HG3 GLU 434 HG1 GLU 434 -0.585 10.070 1.212 12 H TRP 435 HN TRP 435 -0.107 7.220 -1.573 13 HA TRP 435 HA TRP 435 0.415 4.759 -0.055 14 HB2 TRP 435 HB2 TRP 435 -2.089 5.436 -1.626 15 HB3 TRP 435 HB1 TRP 435 -1.880 4.142 -0.449 16 HD1 TRP 435 HD1 TRP 435 -3.157 7.595 -0.718 17 HE1 TRP 435 HE1 TRP 435 -3.546 8.604 1.619 18 HE3 TRP 435 HE3 TRP 435 -0.724 4.108 2.101 19 HZ2 TRP 435 HZ2 TRP 435 -2.909 8.019 4.285 20 HZ3 TRP 435 HZ3 TRP 435 -0.640 4.415 4.538 21 HH2 TRP 435 HH2 TRP 435 -1.695 6.345 5.605 22 H THR 436 HN THR 436 1.843 3.592 -1.241 23 HA THR 436 HA THR 436 1.621 3.625 -4.140 24 HB THR 436 HB THR 436 3.669 2.346 -2.323 25 HG1 THR 436 HG1 THR 436 3.533 4.752 -2.738 26 HG21 THR 436 HG21 THR 436 3.412 1.018 -4.381 27 HG22 THR 436 HG22 THR 436 4.959 1.868 -4.357 28 HG23 THR 436 HG23 THR 436 3.635 2.479 -5.347 29 H GLU 437 HN GLU 437 -0.132 2.424 -4.688 30 HA GLU 437 HA GLU 437 -0.287 -0.334 -3.761 31 HB2 GLU 437 HB2 GLU 437 -2.394 0.898 -4.044 32 HB3 GLU 437 HB1 GLU 437 -2.006 1.203 -5.730 33 HG2 GLU 437 HG2 GLU 437 -2.086 -1.225 -6.153 34 HG3 GLU 437 HG1 GLU 437 -2.563 -1.479 -4.475 35 H ARG 438 HN ARG 438 1.563 -1.237 -4.575 36 HA ARG 438 HA ARG 438 1.841 -1.195 -7.504 37 HB2 ARG 438 HB2 ARG 438 3.793 -0.340 -6.242 38 HB3 ARG 438 HB1 ARG 438 3.929 -1.894 -5.431 39 HG2 ARG 438 HG2 ARG 438 4.389 -2.985 -7.549 40 HG3 ARG 438 HG1 ARG 438 4.195 -1.450 -8.398 41 HD2 ARG 438 HD2 ARG 438 6.088 -0.524 -7.191 42 HD3 ARG 438 HD1 ARG 438 6.257 -2.016 -6.273 43 HE ARG 438 HE ARG 438 6.476 -2.168 -9.190 44 HH11 ARG 438 HH11 ARG 438 8.021 -2.261 -6.042 45 HH12 ARG 438 HH12 ARG 438 9.500 -2.937 -6.655 46 HH21 ARG 438 HH21 ARG 438 8.415 -3.030 -9.990 47 HH22 ARG 438 HH22 ARG 438 9.742 -3.347 -8.910 48 H LYS 439 HN LYS 439 1.029 -2.889 -8.430 49 HA LYS 439 HA LYS 439 0.616 -5.325 -6.904 50 HB2 LYS 439 HB2 LYS 439 -1.158 -4.167 -8.337 51 HB3 LYS 439 HB1 LYS 439 -0.276 -4.780 -9.727 52 HG2 LYS 439 HG2 LYS 439 -0.696 -7.042 -9.082 53 HG3 LYS 439 HG1 LYS 439 -1.391 -6.521 -7.543 54 HD2 LYS 439 HD2 LYS 439 -2.501 -5.979 -10.298 55 HD3 LYS 439 HD1 LYS 439 -3.176 -7.067 -9.082 56 HE2 LYS 439 HE2 LYS 439 -3.689 -5.247 -7.626 57 HE3 LYS 439 HE1 LYS 439 -2.796 -4.112 -8.635 58 HZ1 LYS 439 HZ1 LYS 439 -5.349 -5.477 -9.288 59 HZ2 LYS 439 HZ2 LYS 439 -4.436 -4.605 -10.421 60 HZ3 LYS 439 HZ3 LYS 439 -5.087 -3.812 -9.068 61 H THR 440 HN THR 440 2.303 -6.618 -6.852 62 HA THR 440 HA THR 440 4.045 -6.904 -9.164 63 HB THR 440 HB THR 440 5.384 -8.386 -7.708 64 HG1 THR 440 HG1 THR 440 3.397 -7.791 -5.740 65 HG21 THR 440 HG21 THR 440 4.609 -5.763 -6.425 66 HG22 THR 440 HG22 THR 440 5.837 -5.995 -7.670 67 HG23 THR 440 HG23 THR 440 6.069 -6.685 -6.062 68 H ALA 441 HN ALA 441 4.474 -8.913 -10.184 69 HA ALA 441 HA ALA 441 2.086 -10.403 -10.707 70 HB1 ALA 441 HB1 ALA 441 3.402 -11.567 -12.378 71 HB2 ALA 441 HB2 ALA 441 4.888 -10.891 -11.711 72 HB3 ALA 441 HB3 ALA 441 3.703 -9.831 -12.474 73 H ASP 442 HN ASP 442 4.233 -10.606 -8.267 74 HA ASP 442 HA ASP 442 4.424 -13.453 -7.974 75 HB2 ASP 442 HB2 ASP 442 6.018 -11.729 -6.998 76 HB3 ASP 442 HB1 ASP 442 4.757 -11.339 -5.835 77 H GLY 443 HN GLY 443 1.883 -11.420 -7.891 78 HA2 GLY 443 HA2 GLY 443 -0.305 -11.827 -7.232 79 HA3 GLY 443 HA1 GLY 443 0.257 -13.218 -6.310 80 H LYS 444 HN LYS 444 1.698 -10.064 -5.995 81 HA LYS 444 HA LYS 444 0.503 -9.831 -3.313 82 HB2 LYS 444 HB2 LYS 444 3.365 -9.113 -3.963 83 HB3 LYS 444 HB1 LYS 444 2.604 -9.171 -2.386 84 HG2 LYS 444 HG2 LYS 444 3.133 -11.560 -4.136 85 HG3 LYS 444 HG1 LYS 444 4.122 -11.051 -2.769 86 HD2 LYS 444 HD2 LYS 444 2.056 -11.276 -1.342 87 HD3 LYS 444 HD1 LYS 444 1.284 -12.048 -2.728 88 HE2 LYS 444 HE2 LYS 444 3.808 -12.997 -1.370 89 HE3 LYS 444 HE1 LYS 444 2.204 -13.691 -1.143 90 HZ1 LYS 444 HZ1 LYS 444 3.797 -13.664 -3.656 91 HZ2 LYS 444 HZ2 LYS 444 2.198 -14.213 -3.545 92 HZ3 LYS 444 HZ3 LYS 444 3.422 -15.015 -2.696 93 H THR 445 HN THR 445 -0.584 -7.982 -3.130 94 HA THR 445 HA THR 445 0.285 -5.662 -4.726 95 HB THR 445 HB THR 445 -2.217 -5.651 -3.075 96 HG1 THR 445 HG1 THR 445 -2.279 -7.614 -4.320 97 HG21 THR 445 HG21 THR 445 -3.012 -4.219 -4.914 98 HG22 THR 445 HG22 THR 445 -1.482 -4.459 -5.759 99 HG23 THR 445 HG23 THR 445 -1.513 -3.608 -4.215 100 H TYR 446 HN TYR 446 1.997 -4.883 -3.444 101 HA TYR 446 HA TYR 446 1.390 -4.529 -0.624 102 HB2 TYR 446 HB2 TYR 446 3.664 -4.124 -0.204 103 HB3 TYR 446 HB1 TYR 446 3.596 -5.488 -1.290 104 HD1 TYR 446 HD1 TYR 446 4.182 -5.073 -3.767 105 HD2 TYR 446 HD2 TYR 446 4.919 -2.243 -0.672 106 HE1 TYR 446 HE1 TYR 446 5.867 -3.969 -5.177 107 HE2 TYR 446 HE2 TYR 446 6.592 -1.129 -2.078 108 HH TYR 446 HH TYR 446 8.035 -1.598 -3.944 109 H TYR 447 HN TYR 447 0.709 -2.764 0.180 110 HA TYR 447 HA TYR 447 1.069 -0.283 -1.299 111 HB2 TYR 447 HB2 TYR 447 -0.506 -0.781 1.244 112 HB3 TYR 447 HB1 TYR 447 -0.503 0.693 0.289 113 HD1 TYR 447 HD2 TYR 447 -1.201 -2.980 -0.254 114 HD2 TYR 447 HD1 TYR 447 -2.314 1.058 -1.047 115 HE1 TYR 447 HE2 TYR 447 -3.144 -3.769 -1.510 116 HE2 TYR 447 HE1 TYR 447 -4.263 0.266 -2.312 117 HH TYR 447 HH TYR 447 -4.982 -1.728 -3.526 118 H TYR 448 HN TYR 448 3.241 0.213 -0.917 119 HA TYR 448 HA TYR 448 4.120 0.413 1.821 120 HB2 TYR 448 HB2 TYR 448 5.920 -0.099 0.434 121 HB3 TYR 448 HB1 TYR 448 5.362 0.961 -0.855 122 HD1 TYR 448 HD1 TYR 448 6.525 1.255 2.705 123 HD2 TYR 448 HD2 TYR 448 6.586 2.869 -1.233 124 HE1 TYR 448 HE1 TYR 448 8.072 3.019 3.455 125 HE2 TYR 448 HE2 TYR 448 8.138 4.627 -0.495 126 HH TYR 448 HH TYR 448 8.739 5.775 1.638 127 H ASN 449 HN ASN 449 3.590 1.950 3.063 128 HA ASN 449 HA ASN 449 2.479 4.437 2.066 129 HB2 ASN 449 HB2 ASN 449 1.123 3.641 3.756 130 HB3 ASN 449 HB1 ASN 449 2.470 2.943 4.649 131 HD21 ASN 449 HD21 ASN 449 0.816 5.905 3.853 132 HD22 ASN 449 HD22 ASN 449 1.311 6.782 5.258 133 H ASN 450 HN ASN 450 3.600 6.234 1.926 134 HA ASN 450 HA ASN 450 6.256 6.333 3.141 135 HB2 ASN 450 HB2 ASN 450 5.757 6.893 0.673 136 HB3 ASN 450 HB1 ASN 450 5.085 8.401 1.286 137 HD21 ASN 450 HD21 ASN 450 6.446 9.969 2.087 138 HD22 ASN 450 HD22 ASN 450 8.165 9.898 1.889 139 H ARG 451 HN ARG 451 3.138 7.298 3.859 140 HA ARG 451 HA ARG 451 3.581 9.834 4.986 141 HB2 ARG 451 HB2 ARG 451 1.465 7.816 5.642 142 HB3 ARG 451 HB1 ARG 451 1.507 9.449 6.286 143 HG2 ARG 451 HG2 ARG 451 1.261 8.702 3.381 144 HG3 ARG 451 HG1 ARG 451 -0.040 9.273 4.425 145 HD2 ARG 451 HD2 ARG 451 2.425 10.821 3.633 146 HD3 ARG 451 HD1 ARG 451 0.795 11.073 3.014 147 HE ARG 451 HE ARG 451 1.630 11.591 5.800 148 HH11 ARG 451 HH11 ARG 451 -0.442 12.249 3.045 149 HH12 ARG 451 HH12 ARG 451 -1.187 13.639 3.775 150 HH21 ARG 451 HH21 ARG 451 0.650 13.419 6.761 151 HH22 ARG 451 HH22 ARG 451 -0.564 14.304 5.881 152 H THR 452 HN THR 452 3.525 6.620 6.434 153 HA THR 452 HA THR 452 4.880 7.734 8.799 154 HB THR 452 HB THR 452 3.161 5.256 8.847 155 HG1 THR 452 HG1 THR 452 1.964 7.470 9.887 156 HG21 THR 452 HG21 THR 452 3.970 7.232 10.987 157 HG22 THR 452 HG22 THR 452 4.659 5.624 10.759 158 HG23 THR 452 HG23 THR 452 2.967 5.804 11.227 159 H LEU 453 HN LEU 453 5.432 5.974 6.113 160 HA LEU 453 HA LEU 453 7.051 4.532 5.422 161 HB2 LEU 453 HB2 LEU 453 8.041 5.231 8.143 162 HB3 LEU 453 HB1 LEU 453 8.729 3.818 7.372 163 HG LEU 453 HG LEU 453 10.033 5.963 7.089 164 HD11 LEU 453 HD11 LEU 453 10.044 3.893 5.543 165 HD12 LEU 453 HD12 LEU 453 10.778 5.390 4.972 166 HD13 LEU 453 HD13 LEU 453 9.169 4.933 4.419 167 HD21 LEU 453 HD21 LEU 453 9.279 7.584 5.485 168 HD22 LEU 453 HD22 LEU 453 8.039 7.413 6.731 169 HD23 LEU 453 HD23 LEU 453 7.824 6.642 5.158 170 H GLU 454 HN GLU 454 4.536 3.695 6.362 171 HA GLU 454 HA GLU 454 5.000 1.201 7.822 172 HB2 GLU 454 HB2 GLU 454 2.499 2.720 7.079 173 HB3 GLU 454 HB1 GLU 454 2.461 1.120 7.804 174 HG2 GLU 454 HG2 GLU 454 3.805 3.487 9.075 175 HG3 GLU 454 HG1 GLU 454 2.127 3.035 9.375 176 H SER 455 HN SER 455 4.984 -0.731 6.816 177 HA SER 455 HA SER 455 4.222 -0.825 4.013 178 HB2 SER 455 HB2 SER 455 5.043 -3.206 4.163 179 HB3 SER 455 HB1 SER 455 6.259 -1.987 4.546 180 HG SER 455 HG SER 455 4.719 -3.092 6.622 181 H THR 456 HN THR 456 2.191 -1.151 3.500 182 HA THR 456 HA THR 456 0.454 -2.583 5.399 183 HB THR 456 HB THR 456 -1.391 -1.165 4.209 184 HG1 THR 456 HG1 THR 456 0.518 -0.296 2.812 185 HG21 THR 456 HG21 THR 456 -1.118 0.655 5.832 186 HG22 THR 456 HG22 THR 456 0.531 0.118 6.152 187 HG23 THR 456 HG23 THR 456 -0.829 -0.923 6.572 188 H TRP 457 HN TRP 457 -0.111 -4.480 4.618 189 HA TRP 457 HA TRP 457 -0.246 -4.803 1.709 190 HB2 TRP 457 HB2 TRP 457 0.366 -6.835 3.889 191 HB3 TRP 457 HB1 TRP 457 0.268 -7.211 2.162 192 HD1 TRP 457 HD1 TRP 457 2.144 -4.564 4.299 193 HE1 TRP 457 HE1 TRP 457 4.481 -4.214 3.318 194 HE3 TRP 457 HE3 TRP 457 1.953 -7.983 0.494 195 HZ2 TRP 457 HZ2 TRP 457 6.027 -5.189 1.219 196 HZ3 TRP 457 HZ3 TRP 457 3.947 -8.234 -0.937 197 HH2 TRP 457 HH2 TRP 457 5.949 -6.887 -0.569 198 H GLU 458 HN GLU 458 -2.081 -3.959 3.956 199 HA GLU 458 HA GLU 458 -4.481 -5.406 3.051 200 HB2 GLU 458 HB2 GLU 458 -4.334 -3.532 5.407 201 HB3 GLU 458 HB1 GLU 458 -5.530 -4.779 5.079 202 HG2 GLU 458 HG2 GLU 458 -4.013 -6.505 5.659 203 HG3 GLU 458 HG1 GLU 458 -2.658 -5.378 5.716 204 H LYS 459 HN LYS 459 -6.235 -4.025 2.332 205 HA LYS 459 HA LYS 459 -5.355 -1.700 0.957 206 HB2 LYS 459 HB2 LYS 459 -8.131 -2.772 1.463 207 HB3 LYS 459 HB1 LYS 459 -7.787 -1.389 0.430 208 HG2 LYS 459 HG2 LYS 459 -6.390 -2.821 -0.993 209 HG3 LYS 459 HG1 LYS 459 -6.798 -4.204 0.026 210 HD2 LYS 459 HD2 LYS 459 -9.149 -3.952 -0.538 211 HD3 LYS 459 HD1 LYS 459 -8.779 -2.523 -1.504 212 HE2 LYS 459 HE2 LYS 459 -7.726 -5.299 -2.031 213 HE3 LYS 459 HE1 LYS 459 -9.080 -4.554 -2.876 214 HZ1 LYS 459 HZ1 LYS 459 -6.280 -3.545 -2.872 215 HZ2 LYS 459 HZ2 LYS 459 -7.582 -2.833 -3.689 216 HZ3 LYS 459 HZ3 LYS 459 -7.037 -4.372 -4.145 217 HA PRO 460 HA PRO 460 -5.553 1.225 4.352 218 HB2 PRO 460 HB2 PRO 460 -5.570 3.136 2.072 219 HB3 PRO 460 HB1 PRO 460 -4.511 3.079 3.483 220 HG2 PRO 460 HG2 PRO 460 -3.642 2.321 1.085 221 HG3 PRO 460 HG1 PRO 460 -3.141 1.476 2.558 222 HD2 PRO 460 HD2 PRO 460 -5.135 0.660 0.487 223 HD3 PRO 460 HD1 PRO 460 -3.988 -0.340 1.399 224 H GLN 461 HN GLN 461 -7.325 1.857 5.361 225 HA GLN 461 HA GLN 461 -9.811 1.974 3.873 226 HB2 GLN 461 HB2 GLN 461 -9.229 1.985 6.835 227 HB3 GLN 461 HB1 GLN 461 -10.849 2.070 6.153 228 HG2 GLN 461 HG2 GLN 461 -10.597 -0.092 5.143 229 HG3 GLN 461 HG1 GLN 461 -8.908 -0.170 5.642 230 HE21 GLN 461 HE21 GLN 461 -9.406 0.975 8.248 231 HE22 GLN 461 HE22 GLN 461 -10.181 -0.254 9.194 232 H GLU 462 HN GLU 462 -7.538 4.180 5.178 233 HA GLU 462 HA GLU 462 -9.452 6.321 5.505 234 HB2 GLU 462 HB2 GLU 462 -7.443 7.777 5.816 235 HB3 GLU 462 HB1 GLU 462 -7.540 6.428 6.934 236 HG2 GLU 462 HG2 GLU 462 -5.902 6.200 4.444 237 HG3 GLU 462 HG1 GLU 462 -5.280 7.050 5.856 238 H LEU 463 HN LEU 463 -7.922 4.871 2.914 239 HA LEU 463 HA LEU 463 -7.977 7.271 1.249 240 HB2 LEU 463 HB2 LEU 463 -6.050 5.690 1.142 241 HB3 LEU 463 HB1 LEU 463 -7.139 4.457 0.539 242 HG LEU 463 HG LEU 463 -7.584 5.852 -1.455 243 HD11 LEU 463 HD11 LEU 463 -6.168 7.783 -1.917 244 HD12 LEU 463 HD12 LEU 463 -5.433 7.633 -0.321 245 HD13 LEU 463 HD13 LEU 463 -7.142 8.040 -0.468 246 HD21 LEU 463 HD21 LEU 463 -5.889 4.127 -1.560 247 HD22 LEU 463 HD22 LEU 463 -4.683 5.236 -0.907 248 HD23 LEU 463 HD23 LEU 463 -5.380 5.528 -2.500 249 H LYS 464 HN LYS 464 -10.116 5.014 2.283 250 HA LYS 464 HA LYS 464 -11.793 5.346 -0.102 251 HB2 LYS 464 HB2 LYS 464 -11.494 2.760 1.449 252 HB3 LYS 464 HB1 LYS 464 -12.596 3.034 0.107 253 HG2 LYS 464 HG2 LYS 464 -10.660 3.420 -1.369 254 HG3 LYS 464 HG1 LYS 464 -9.588 3.052 -0.017 255 HD2 LYS 464 HD2 LYS 464 -10.617 0.813 0.142 256 HD3 LYS 464 HD1 LYS 464 -11.603 1.192 -1.271 257 HE2 LYS 464 HE2 LYS 464 -8.593 1.072 -1.174 258 HE3 LYS 464 HE1 LYS 464 -9.661 -0.124 -1.905 259 HZ1 LYS 464 HZ1 LYS 464 -10.416 1.590 -3.466 260 HZ2 LYS 464 HZ2 LYS 464 -8.750 1.317 -3.585 261 HZ3 LYS 464 HZ3 LYS 464 -9.322 2.697 -2.786 Start of MODEL 5 1 H SER 433 HT1 SER 433 -1.822 10.977 -4.586 2 HA SER 433 HA SER 433 -2.767 10.232 -2.529 3 HB2 SER 433 HB2 SER 433 -3.361 7.798 -2.334 4 HB3 SER 433 HB1 SER 433 -4.455 8.718 -3.365 5 HG SER 433 HG SER 433 -3.654 7.748 -5.135 6 H GLU 434 HN GLU 434 -1.273 9.658 -1.041 7 HA GLU 434 HA GLU 434 1.370 9.109 -2.034 8 HB2 GLU 434 HB2 GLU 434 1.985 9.262 0.421 9 HB3 GLU 434 HB1 GLU 434 1.281 10.700 -0.303 10 HG2 GLU 434 HG2 GLU 434 -0.497 8.773 1.105 11 HG3 GLU 434 HG1 GLU 434 0.518 9.857 2.053 12 H TRP 435 HN TRP 435 -1.149 7.079 -1.220 13 HA TRP 435 HA TRP 435 0.537 5.023 -0.015 14 HB2 TRP 435 HB2 TRP 435 -2.396 4.857 -0.781 15 HB3 TRP 435 HB1 TRP 435 -1.505 3.681 0.175 16 HD1 TRP 435 HD1 TRP 435 -3.494 6.841 0.467 17 HE1 TRP 435 HE1 TRP 435 -3.591 7.604 2.925 18 HE3 TRP 435 HE3 TRP 435 -0.006 3.662 2.451 19 HZ2 TRP 435 HZ2 TRP 435 -2.354 6.955 5.370 20 HZ3 TRP 435 HZ3 TRP 435 0.487 3.810 4.861 21 HH2 TRP 435 HH2 TRP 435 -0.654 5.427 6.287 22 H THR 436 HN THR 436 1.783 3.881 -1.365 23 HA THR 436 HA THR 436 0.994 3.639 -4.154 24 HB THR 436 HB THR 436 3.541 2.873 -2.724 25 HG1 THR 436 HG1 THR 436 2.898 5.161 -3.345 26 HG21 THR 436 HG21 THR 436 3.139 1.265 -4.536 27 HG22 THR 436 HG22 THR 436 4.467 2.354 -4.954 28 HG23 THR 436 HG23 THR 436 2.873 2.593 -5.666 29 H GLU 437 HN GLU 437 -0.516 2.125 -4.415 30 HA GLU 437 HA GLU 437 -0.076 -0.566 -3.403 31 HB2 GLU 437 HB2 GLU 437 -2.397 0.141 -3.504 32 HB3 GLU 437 HB1 GLU 437 -2.227 0.600 -5.194 33 HG2 GLU 437 HG2 GLU 437 -1.738 -1.811 -5.698 34 HG3 GLU 437 HG1 GLU 437 -2.178 -2.176 -4.033 35 H ARG 438 HN ARG 438 1.813 -1.183 -4.392 36 HA ARG 438 HA ARG 438 1.795 -1.226 -7.325 37 HB2 ARG 438 HB2 ARG 438 3.791 -0.257 -6.204 38 HB3 ARG 438 HB1 ARG 438 4.082 -1.814 -5.436 39 HG2 ARG 438 HG2 ARG 438 4.375 -2.844 -7.626 40 HG3 ARG 438 HG1 ARG 438 4.082 -1.282 -8.398 41 HD2 ARG 438 HD2 ARG 438 6.037 -0.358 -7.247 42 HD3 ARG 438 HD1 ARG 438 6.326 -1.921 -6.489 43 HE ARG 438 HE ARG 438 6.328 -1.689 -9.418 44 HH11 ARG 438 HH11 ARG 438 8.008 -2.351 -6.417 45 HH12 ARG 438 HH12 ARG 438 9.390 -3.058 -7.200 46 HH21 ARG 438 HH21 ARG 438 8.142 -2.592 -10.453 47 HH22 ARG 438 HH22 ARG 438 9.494 -3.150 -9.504 48 H LYS 439 HN LYS 439 1.462 -3.048 -8.366 49 HA LYS 439 HA LYS 439 0.892 -5.401 -6.758 50 HB2 LYS 439 HB2 LYS 439 -0.770 -4.645 -8.399 51 HB3 LYS 439 HB1 LYS 439 0.407 -4.843 -9.689 52 HG2 LYS 439 HG2 LYS 439 0.463 -7.240 -9.299 53 HG3 LYS 439 HG1 LYS 439 -0.677 -7.060 -7.962 54 HD2 LYS 439 HD2 LYS 439 -1.224 -6.334 -10.842 55 HD3 LYS 439 HD1 LYS 439 -1.783 -7.801 -10.036 56 HE2 LYS 439 HE2 LYS 439 -2.451 -5.024 -9.083 57 HE3 LYS 439 HE1 LYS 439 -3.468 -5.936 -10.194 58 HZ1 LYS 439 HZ1 LYS 439 -4.115 -6.082 -7.807 59 HZ2 LYS 439 HZ2 LYS 439 -2.681 -6.938 -7.513 60 HZ3 LYS 439 HZ3 LYS 439 -3.852 -7.581 -8.557 61 H THR 440 HN THR 440 2.567 -6.636 -6.335 62 HA THR 440 HA THR 440 4.625 -7.102 -8.332 63 HB THR 440 HB THR 440 5.645 -8.588 -6.621 64 HG1 THR 440 HG1 THR 440 3.482 -7.711 -4.969 65 HG21 THR 440 HG21 THR 440 6.242 -6.224 -6.677 66 HG22 THR 440 HG22 THR 440 6.218 -6.818 -5.018 67 HG23 THR 440 HG23 THR 440 4.881 -5.842 -5.626 68 H ALA 441 HN ALA 441 5.144 -9.146 -9.182 69 HA ALA 441 HA ALA 441 2.890 -10.545 -10.164 70 HB1 ALA 441 HB1 ALA 441 4.929 -10.266 -11.462 71 HB2 ALA 441 HB2 ALA 441 4.521 -11.973 -11.293 72 HB3 ALA 441 HB3 ALA 441 5.810 -11.272 -10.313 73 H ASP 442 HN ASP 442 4.376 -10.835 -7.211 74 HA ASP 442 HA ASP 442 4.113 -13.670 -6.852 75 HB2 ASP 442 HB2 ASP 442 5.684 -12.157 -5.553 76 HB3 ASP 442 HB1 ASP 442 4.270 -11.560 -4.690 77 H GLY 443 HN GLY 443 1.941 -11.201 -7.174 78 HA2 GLY 443 HA2 GLY 443 -0.392 -11.418 -7.114 79 HA3 GLY 443 HA1 GLY 443 -0.214 -12.822 -6.071 80 H LYS 444 HN LYS 444 1.443 -9.818 -5.473 81 HA LYS 444 HA LYS 444 -0.332 -9.335 -3.188 82 HB2 LYS 444 HB2 LYS 444 2.678 -9.509 -3.132 83 HB3 LYS 444 HB1 LYS 444 1.714 -8.839 -1.820 84 HG2 LYS 444 HG2 LYS 444 0.652 -10.945 -1.435 85 HG3 LYS 444 HG1 LYS 444 1.398 -11.637 -2.876 86 HD2 LYS 444 HD2 LYS 444 3.605 -11.363 -1.864 87 HD3 LYS 444 HD1 LYS 444 2.857 -10.673 -0.422 88 HE2 LYS 444 HE2 LYS 444 1.734 -12.737 0.057 89 HE3 LYS 444 HE1 LYS 444 2.264 -13.431 -1.476 90 HZ1 LYS 444 HZ1 LYS 444 3.587 -14.203 0.404 91 HZ2 LYS 444 HZ2 LYS 444 4.064 -12.609 0.740 92 HZ3 LYS 444 HZ3 LYS 444 4.529 -13.347 -0.715 93 H THR 445 HN THR 445 -1.104 -7.379 -3.301 94 HA THR 445 HA THR 445 0.378 -5.222 -4.580 95 HB THR 445 HB THR 445 -1.670 -3.874 -3.844 96 HG1 THR 445 HG1 THR 445 -2.256 -5.565 -2.263 97 HG21 THR 445 HG21 THR 445 -3.085 -4.776 -5.622 98 HG22 THR 445 HG22 THR 445 -2.079 -6.221 -5.692 99 HG23 THR 445 HG23 THR 445 -1.401 -4.651 -6.132 100 H TYR 446 HN TYR 446 1.984 -4.398 -3.326 101 HA TYR 446 HA TYR 446 1.474 -4.182 -0.461 102 HB2 TYR 446 HB2 TYR 446 3.799 -3.840 -0.135 103 HB3 TYR 446 HB1 TYR 446 3.614 -5.191 -1.232 104 HD1 TYR 446 HD1 TYR 446 4.130 -4.830 -3.698 105 HD2 TYR 446 HD2 TYR 446 5.054 -1.951 -0.705 106 HE1 TYR 446 HE1 TYR 446 5.767 -3.787 -5.206 107 HE2 TYR 446 HE2 TYR 446 6.687 -0.897 -2.209 108 HH TYR 446 HH TYR 446 8.037 -1.438 -4.118 109 H TYR 447 HN TYR 447 0.831 -2.364 0.407 110 HA TYR 447 HA TYR 447 1.149 0.094 -1.132 111 HB2 TYR 447 HB2 TYR 447 -0.344 -0.386 1.458 112 HB3 TYR 447 HB1 TYR 447 -0.332 1.116 0.549 113 HD1 TYR 447 HD2 TYR 447 -1.041 -2.504 -0.159 114 HD2 TYR 447 HD1 TYR 447 -2.253 1.546 -0.622 115 HE1 TYR 447 HE2 TYR 447 -3.044 -3.252 -1.379 116 HE2 TYR 447 HE1 TYR 447 -4.260 0.810 -1.838 117 HH TYR 447 HH TYR 447 -5.166 -2.536 -1.973 118 H TYR 448 HN TYR 448 3.422 0.275 -0.836 119 HA TYR 448 HA TYR 448 4.312 0.905 1.863 120 HB2 TYR 448 HB2 TYR 448 5.976 -0.177 0.558 121 HB3 TYR 448 HB1 TYR 448 5.709 0.893 -0.812 122 HD1 TYR 448 HD1 TYR 448 6.417 1.547 2.827 123 HD2 TYR 448 HD2 TYR 448 7.600 2.119 -1.222 124 HE1 TYR 448 HE1 TYR 448 8.258 3.016 3.578 125 HE2 TYR 448 HE2 TYR 448 9.434 3.579 -0.486 126 HH TYR 448 HH TYR 448 10.046 4.965 1.420 127 H ASN 449 HN ASN 449 4.296 2.821 2.754 128 HA ASN 449 HA ASN 449 4.184 5.206 1.044 129 HB2 ASN 449 HB2 ASN 449 1.904 4.544 1.953 130 HB3 ASN 449 HB1 ASN 449 2.540 4.888 3.558 131 HD21 ASN 449 HD21 ASN 449 0.347 6.161 2.234 132 HD22 ASN 449 HD22 ASN 449 0.747 7.832 2.075 133 H ASN 450 HN ASN 450 5.161 7.016 1.893 134 HA ASN 450 HA ASN 450 7.226 6.465 3.859 135 HB2 ASN 450 HB2 ASN 450 8.144 8.655 3.158 136 HB3 ASN 450 HB1 ASN 450 7.902 7.578 1.788 137 HD21 ASN 450 HD21 ASN 450 8.043 10.537 2.031 138 HD22 ASN 450 HD22 ASN 450 6.595 11.115 1.268 139 H ARG 451 HN ARG 451 4.117 7.553 3.837 140 HA ARG 451 HA ARG 451 4.088 9.600 5.749 141 HB2 ARG 451 HB2 ARG 451 2.104 7.399 5.234 142 HB3 ARG 451 HB1 ARG 451 1.823 8.678 6.404 143 HG2 ARG 451 HG2 ARG 451 2.262 9.058 3.452 144 HG3 ARG 451 HG1 ARG 451 0.714 9.131 4.291 145 HD2 ARG 451 HD2 ARG 451 1.584 11.026 5.631 146 HD3 ARG 451 HD1 ARG 451 3.060 10.985 4.666 147 HE ARG 451 HE ARG 451 0.603 11.250 3.159 148 HH11 ARG 451 HH11 ARG 451 3.249 12.947 4.715 149 HH12 ARG 451 HH12 ARG 451 3.024 14.394 3.780 150 HH21 ARG 451 HH21 ARG 451 0.319 13.131 1.931 151 HH22 ARG 451 HH22 ARG 451 1.372 14.498 2.198 152 H THR 452 HN THR 452 4.013 6.099 6.202 153 HA THR 452 HA THR 452 4.845 6.527 8.989 154 HB THR 452 HB THR 452 3.835 4.158 9.285 155 HG1 THR 452 HG1 THR 452 2.270 3.621 7.778 156 HG21 THR 452 HG21 THR 452 2.892 6.175 10.300 157 HG22 THR 452 HG22 THR 452 1.617 5.101 9.731 158 HG23 THR 452 HG23 THR 452 2.039 6.537 8.801 159 H LEU 453 HN LEU 453 6.035 5.650 6.068 160 HA LEU 453 HA LEU 453 7.659 4.294 5.234 161 HB2 LEU 453 HB2 LEU 453 8.437 4.557 8.091 162 HB3 LEU 453 HB1 LEU 453 9.218 3.294 7.160 163 HG LEU 453 HG LEU 453 10.525 5.402 7.249 164 HD11 LEU 453 HD11 LEU 453 10.589 3.732 5.337 165 HD12 LEU 453 HD12 LEU 453 11.171 5.358 4.980 166 HD13 LEU 453 HD13 LEU 453 9.563 4.862 4.452 167 HD21 LEU 453 HD21 LEU 453 9.786 7.333 6.007 168 HD22 LEU 453 HD22 LEU 453 8.588 6.941 7.244 169 HD23 LEU 453 HD23 LEU 453 8.292 6.505 5.557 170 H GLU 454 HN GLU 454 5.093 3.278 6.047 171 HA GLU 454 HA GLU 454 5.724 0.514 6.829 172 HB2 GLU 454 HB2 GLU 454 3.357 2.280 7.314 173 HB3 GLU 454 HB1 GLU 454 3.138 0.536 7.275 174 HG2 GLU 454 HG2 GLU 454 5.016 2.022 9.095 175 HG3 GLU 454 HG1 GLU 454 3.435 1.376 9.541 176 H SER 455 HN SER 455 4.857 -1.170 5.727 177 HA SER 455 HA SER 455 3.514 -0.510 3.199 178 HB2 SER 455 HB2 SER 455 4.372 -2.729 2.403 179 HB3 SER 455 HB1 SER 455 5.644 -1.564 2.765 180 HG SER 455 HG SER 455 5.687 -2.645 4.915 181 H THR 456 HN THR 456 1.435 -0.895 3.277 182 HA THR 456 HA THR 456 0.395 -2.972 5.066 183 HB THR 456 HB THR 456 -1.814 -1.920 4.664 184 HG1 THR 456 HG1 THR 456 -1.108 -1.046 2.534 185 HG21 THR 456 HG21 THR 456 -1.275 0.321 5.740 186 HG22 THR 456 HG22 THR 456 0.424 -0.139 5.613 187 HG23 THR 456 HG23 THR 456 -0.683 -1.111 6.584 188 H TRP 457 HN TRP 457 -0.329 -4.852 4.211 189 HA TRP 457 HA TRP 457 -0.267 -5.031 1.280 190 HB2 TRP 457 HB2 TRP 457 0.242 -7.144 3.401 191 HB3 TRP 457 HB1 TRP 457 0.262 -7.447 1.659 192 HD1 TRP 457 HD1 TRP 457 2.001 -4.994 4.117 193 HE1 TRP 457 HE1 TRP 457 4.384 -4.545 3.282 194 HE3 TRP 457 HE3 TRP 457 1.966 -7.961 -0.055 195 HZ2 TRP 457 HZ2 TRP 457 6.009 -5.285 1.134 196 HZ3 TRP 457 HZ3 TRP 457 4.008 -8.057 -1.432 197 HH2 TRP 457 HH2 TRP 457 5.997 -6.765 -0.836 198 H GLU 458 HN GLU 458 -2.320 -4.464 3.498 199 HA GLU 458 HA GLU 458 -4.531 -5.883 2.173 200 HB2 GLU 458 HB2 GLU 458 -4.815 -4.560 4.857 201 HB3 GLU 458 HB1 GLU 458 -5.746 -5.885 4.179 202 HG2 GLU 458 HG2 GLU 458 -4.542 -6.950 5.812 203 HG3 GLU 458 HG1 GLU 458 -3.522 -7.213 4.401 204 H LYS 459 HN LYS 459 -6.220 -4.516 1.414 205 HA LYS 459 HA LYS 459 -5.512 -1.918 0.656 206 HB2 LYS 459 HB2 LYS 459 -8.201 -3.273 0.771 207 HB3 LYS 459 HB1 LYS 459 -7.988 -1.644 0.140 208 HG2 LYS 459 HG2 LYS 459 -6.307 -2.618 -1.464 209 HG3 LYS 459 HG1 LYS 459 -6.853 -4.209 -0.934 210 HD2 LYS 459 HD2 LYS 459 -9.101 -3.733 -1.687 211 HD3 LYS 459 HD1 LYS 459 -8.641 -2.081 -2.107 212 HE2 LYS 459 HE2 LYS 459 -7.455 -4.559 -3.350 213 HE3 LYS 459 HE1 LYS 459 -8.764 -3.614 -4.065 214 HZ1 LYS 459 HZ1 LYS 459 -7.184 -1.674 -3.992 215 HZ2 LYS 459 HZ2 LYS 459 -6.770 -2.901 -5.077 216 HZ3 LYS 459 HZ3 LYS 459 -5.955 -2.773 -3.607 217 HA PRO 460 HA PRO 460 -6.432 0.116 4.587 218 HB2 PRO 460 HB2 PRO 460 -5.367 2.526 3.409 219 HB3 PRO 460 HB1 PRO 460 -4.685 1.543 4.704 220 HG2 PRO 460 HG2 PRO 460 -3.607 1.779 2.188 221 HG3 PRO 460 HG1 PRO 460 -3.312 0.425 3.289 222 HD2 PRO 460 HD2 PRO 460 -5.094 0.583 0.911 223 HD3 PRO 460 HD1 PRO 460 -4.175 -0.791 1.557 224 H GLN 461 HN GLN 461 -8.258 1.144 5.139 225 HA GLN 461 HA GLN 461 -10.015 2.089 3.055 226 HB2 GLN 461 HB2 GLN 461 -10.699 0.848 5.191 227 HB3 GLN 461 HB1 GLN 461 -10.473 2.385 6.018 228 HG2 GLN 461 HG2 GLN 461 -12.129 3.408 4.518 229 HG3 GLN 461 HG1 GLN 461 -12.387 1.839 3.757 230 HE21 GLN 461 HE21 GLN 461 -14.521 1.695 4.318 231 HE22 GLN 461 HE22 GLN 461 -15.049 1.467 5.951 232 H GLU 462 HN GLU 462 -7.528 3.446 4.796 233 HA GLU 462 HA GLU 462 -8.570 6.116 5.054 234 HB2 GLU 462 HB2 GLU 462 -6.811 5.093 6.549 235 HB3 GLU 462 HB1 GLU 462 -5.688 5.212 5.203 236 HG2 GLU 462 HG2 GLU 462 -5.797 7.588 5.220 237 HG3 GLU 462 HG1 GLU 462 -7.127 7.574 6.379 238 H LEU 463 HN LEU 463 -7.481 4.274 2.500 239 HA LEU 463 HA LEU 463 -6.277 6.401 0.962 240 HB2 LEU 463 HB2 LEU 463 -5.590 4.056 0.683 241 HB3 LEU 463 HB1 LEU 463 -7.207 3.643 0.154 242 HG LEU 463 HG LEU 463 -6.930 4.998 -1.855 243 HD11 LEU 463 HD11 LEU 463 -5.457 6.715 -0.933 244 HD12 LEU 463 HD12 LEU 463 -4.787 6.009 -2.403 245 HD13 LEU 463 HD13 LEU 463 -4.148 5.536 -0.829 246 HD21 LEU 463 HD21 LEU 463 -5.256 3.639 -2.975 247 HD22 LEU 463 HD22 LEU 463 -6.230 2.646 -1.890 248 HD23 LEU 463 HD23 LEU 463 -4.602 3.134 -1.418 249 H LYS 464 HN LYS 464 -9.363 5.591 1.845 250 HA LYS 464 HA LYS 464 -10.609 6.630 -0.586 251 HB2 LYS 464 HB2 LYS 464 -11.601 4.607 0.306 252 HB3 LYS 464 HB1 LYS 464 -11.767 5.345 1.892 253 HG2 LYS 464 HG2 LYS 464 -13.309 7.030 0.805 254 HG3 LYS 464 HG1 LYS 464 -13.292 5.982 -0.617 255 HD2 LYS 464 HD2 LYS 464 -15.220 5.591 0.916 256 HD3 LYS 464 HD1 LYS 464 -14.223 4.162 0.634 257 HE2 LYS 464 HE2 LYS 464 -14.822 4.370 2.992 258 HE3 LYS 464 HE1 LYS 464 -13.083 4.528 2.759 259 HZ1 LYS 464 HZ1 LYS 464 -13.592 6.230 4.218 260 HZ2 LYS 464 HZ2 LYS 464 -15.056 6.608 3.454 261 HZ3 LYS 464 HZ3 LYS 464 -13.585 7.039 2.727 Start of MODEL 6 1 H SER 433 HT1 SER 433 -3.111 11.313 -2.928 2 HA SER 433 HA SER 433 -2.755 9.589 -1.275 3 HB2 SER 433 HB2 SER 433 -2.171 8.801 -4.143 4 HB3 SER 433 HB1 SER 433 -2.670 7.681 -2.875 5 HG SER 433 HG SER 433 -4.161 9.912 -3.843 6 H GLU 434 HN GLU 434 -1.225 9.207 0.131 7 HA GLU 434 HA GLU 434 1.581 9.110 -0.651 8 HB2 GLU 434 HB2 GLU 434 0.561 8.653 2.132 9 HB3 GLU 434 HB1 GLU 434 2.050 9.429 1.614 10 HG2 GLU 434 HG2 GLU 434 0.898 11.253 2.283 11 HG3 GLU 434 HG1 GLU 434 0.363 11.193 0.609 12 H TRP 435 HN TRP 435 -0.326 6.948 -1.363 13 HA TRP 435 HA TRP 435 0.835 4.710 0.154 14 HB2 TRP 435 HB2 TRP 435 -1.928 4.687 -1.062 15 HB3 TRP 435 HB1 TRP 435 -1.266 3.597 0.153 16 HD1 TRP 435 HD1 TRP 435 -2.880 7.026 -0.238 17 HE1 TRP 435 HE1 TRP 435 -3.473 7.956 2.083 18 HE3 TRP 435 HE3 TRP 435 -0.545 3.521 2.655 19 HZ2 TRP 435 HZ2 TRP 435 -3.004 7.294 4.782 20 HZ3 TRP 435 HZ3 TRP 435 -0.632 3.777 5.101 21 HH2 TRP 435 HH2 TRP 435 -1.847 5.605 6.141 22 H THR 436 HN THR 436 2.214 3.694 -1.167 23 HA THR 436 HA THR 436 1.718 3.647 -4.033 24 HB THR 436 HB THR 436 4.044 2.615 -2.399 25 HG1 THR 436 HG1 THR 436 4.387 4.727 -2.533 26 HG21 THR 436 HG21 THR 436 5.176 2.213 -4.549 27 HG22 THR 436 HG22 THR 436 3.703 2.656 -5.409 28 HG23 THR 436 HG23 THR 436 3.730 1.211 -4.397 29 H GLU 437 HN GLU 437 0.216 2.191 -4.600 30 HA GLU 437 HA GLU 437 0.462 -0.500 -3.509 31 HB2 GLU 437 HB2 GLU 437 -1.627 -0.992 -4.765 32 HB3 GLU 437 HB1 GLU 437 -1.805 0.261 -3.552 33 HG2 GLU 437 HG2 GLU 437 -1.891 1.957 -5.203 34 HG3 GLU 437 HG1 GLU 437 -1.405 0.831 -6.472 35 H ARG 438 HN ARG 438 2.295 -1.243 -4.444 36 HA ARG 438 HA ARG 438 2.475 -1.234 -7.350 37 HB2 ARG 438 HB2 ARG 438 4.530 -0.803 -6.096 38 HB3 ARG 438 HB1 ARG 438 4.366 -2.345 -5.264 39 HG2 ARG 438 HG2 ARG 438 4.681 -3.538 -7.348 40 HG3 ARG 438 HG1 ARG 438 4.758 -2.011 -8.233 41 HD2 ARG 438 HD2 ARG 438 6.777 -1.393 -7.095 42 HD3 ARG 438 HD1 ARG 438 6.655 -2.784 -6.024 43 HE ARG 438 HE ARG 438 6.761 -3.635 -8.724 44 HH11 ARG 438 HH11 ARG 438 8.785 -2.291 -6.194 45 HH12 ARG 438 HH12 ARG 438 10.243 -3.013 -6.807 46 HH21 ARG 438 HH21 ARG 438 8.679 -4.585 -9.514 47 HH22 ARG 438 HH22 ARG 438 10.182 -4.300 -8.694 48 H LYS 439 HN LYS 439 1.408 -2.723 -8.424 49 HA LYS 439 HA LYS 439 0.629 -5.155 -7.041 50 HB2 LYS 439 HB2 LYS 439 -1.059 -3.875 -8.314 51 HB3 LYS 439 HB1 LYS 439 -0.147 -4.167 -9.788 52 HG2 LYS 439 HG2 LYS 439 -0.592 -6.504 -9.693 53 HG3 LYS 439 HG1 LYS 439 -1.273 -6.365 -8.074 54 HD2 LYS 439 HD2 LYS 439 -2.471 -4.873 -10.385 55 HD3 LYS 439 HD1 LYS 439 -2.879 -6.563 -10.090 56 HE2 LYS 439 HE2 LYS 439 -4.545 -5.203 -9.042 57 HE3 LYS 439 HE1 LYS 439 -3.558 -5.931 -7.778 58 HZ1 LYS 439 HZ1 LYS 439 -2.337 -3.822 -7.629 59 HZ2 LYS 439 HZ2 LYS 439 -3.975 -3.640 -7.263 60 HZ3 LYS 439 HZ3 LYS 439 -3.384 -3.130 -8.765 61 H THR 440 HN THR 440 2.395 -6.373 -6.912 62 HA THR 440 HA THR 440 3.931 -6.993 -9.296 63 HB THR 440 HB THR 440 5.282 -8.427 -7.777 64 HG1 THR 440 HG1 THR 440 3.162 -7.856 -6.067 65 HG21 THR 440 HG21 THR 440 4.815 -5.610 -6.796 66 HG22 THR 440 HG22 THR 440 5.907 -6.095 -8.094 67 HG23 THR 440 HG23 THR 440 6.230 -6.598 -6.434 68 H ALA 441 HN ALA 441 4.126 -9.019 -10.234 69 HA ALA 441 HA ALA 441 1.711 -10.528 -10.363 70 HB1 ALA 441 HB1 ALA 441 2.875 -11.883 -12.013 71 HB2 ALA 441 HB2 ALA 441 4.412 -11.147 -11.553 72 HB3 ALA 441 HB3 ALA 441 3.154 -10.166 -12.307 73 H ASP 442 HN ASP 442 3.954 -10.522 -8.048 74 HA ASP 442 HA ASP 442 4.279 -13.307 -7.480 75 HB2 ASP 442 HB2 ASP 442 5.745 -11.399 -6.649 76 HB3 ASP 442 HB1 ASP 442 4.448 -10.995 -5.530 77 H GLY 443 HN GLY 443 1.607 -11.520 -7.662 78 HA2 GLY 443 HA2 GLY 443 -0.562 -12.136 -7.121 79 HA3 GLY 443 HA1 GLY 443 0.079 -13.340 -6.010 80 H LYS 444 HN LYS 444 1.304 -10.135 -5.816 81 HA LYS 444 HA LYS 444 -0.314 -9.641 -3.422 82 HB2 LYS 444 HB2 LYS 444 2.710 -9.540 -3.457 83 HB3 LYS 444 HB1 LYS 444 1.670 -9.176 -2.087 84 HG2 LYS 444 HG2 LYS 444 0.928 -11.482 -2.000 85 HG3 LYS 444 HG1 LYS 444 1.897 -11.866 -3.422 86 HD2 LYS 444 HD2 LYS 444 3.924 -11.192 -2.145 87 HD3 LYS 444 HD1 LYS 444 2.905 -10.990 -0.719 88 HE2 LYS 444 HE2 LYS 444 3.973 -13.159 -0.655 89 HE3 LYS 444 HE1 LYS 444 2.237 -13.358 -0.892 90 HZ1 LYS 444 HZ1 LYS 444 2.650 -13.670 -3.265 91 HZ2 LYS 444 HZ2 LYS 444 3.476 -14.825 -2.346 92 HZ3 LYS 444 HZ3 LYS 444 4.317 -13.508 -3.014 93 H THR 445 HN THR 445 -1.016 -7.615 -3.408 94 HA THR 445 HA THR 445 0.520 -5.572 -4.859 95 HB THR 445 HB THR 445 -2.253 -5.224 -3.715 96 HG1 THR 445 HG1 THR 445 -2.009 -6.967 -5.395 97 HG21 THR 445 HG21 THR 445 -1.028 -3.183 -4.262 98 HG22 THR 445 HG22 THR 445 -2.397 -3.415 -5.351 99 HG23 THR 445 HG23 THR 445 -0.760 -3.773 -5.902 100 H TYR 446 HN TYR 446 2.058 -4.870 -3.421 101 HA TYR 446 HA TYR 446 1.252 -4.598 -0.650 102 HB2 TYR 446 HB2 TYR 446 3.543 -4.284 -0.094 103 HB3 TYR 446 HB1 TYR 446 3.403 -5.666 -1.155 104 HD1 TYR 446 HD1 TYR 446 4.284 -5.529 -3.480 105 HD2 TYR 446 HD2 TYR 446 4.808 -2.374 -0.673 106 HE1 TYR 446 HE1 TYR 446 6.131 -4.631 -4.835 107 HE2 TYR 446 HE2 TYR 446 6.645 -1.465 -2.022 108 HH TYR 446 HH TYR 446 8.264 -2.238 -3.650 109 H TYR 447 HN TYR 447 0.906 -2.836 0.381 110 HA TYR 447 HA TYR 447 1.242 -0.315 -1.041 111 HB2 TYR 447 HB2 TYR 447 -0.458 -1.082 1.336 112 HB3 TYR 447 HB1 TYR 447 -0.229 0.581 0.823 113 HD1 TYR 447 HD2 TYR 447 -1.214 -2.707 -0.765 114 HD2 TYR 447 HD1 TYR 447 -1.912 1.489 -0.430 115 HE1 TYR 447 HE2 TYR 447 -3.114 -2.900 -2.304 116 HE2 TYR 447 HE1 TYR 447 -3.813 1.295 -1.980 117 HH TYR 447 HH TYR 447 -4.630 -0.179 -3.726 118 H TYR 448 HN TYR 448 3.501 -0.125 -0.676 119 HA TYR 448 HA TYR 448 4.327 0.369 2.050 120 HB2 TYR 448 HB2 TYR 448 6.143 -0.403 0.809 121 HB3 TYR 448 HB1 TYR 448 5.667 0.486 -0.632 122 HD1 TYR 448 HD1 TYR 448 6.698 1.301 2.896 123 HD2 TYR 448 HD2 TYR 448 7.047 2.202 -1.250 124 HE1 TYR 448 HE1 TYR 448 8.309 3.087 3.427 125 HE2 TYR 448 HE2 TYR 448 8.660 3.980 -0.735 126 HH TYR 448 HH TYR 448 10.220 4.257 2.179 127 H ASN 449 HN ASN 449 4.041 2.150 3.074 128 HA ASN 449 HA ASN 449 2.931 4.443 1.617 129 HB2 ASN 449 HB2 ASN 449 1.242 3.694 2.990 130 HB3 ASN 449 HB1 ASN 449 2.356 3.153 4.242 131 HD21 ASN 449 HD21 ASN 449 0.991 6.017 2.718 132 HD22 ASN 449 HD22 ASN 449 1.078 7.016 4.126 133 H ASN 450 HN ASN 450 3.538 6.501 2.070 134 HA ASN 450 HA ASN 450 6.176 6.752 3.298 135 HB2 ASN 450 HB2 ASN 450 5.781 7.580 0.973 136 HB3 ASN 450 HB1 ASN 450 4.639 8.750 1.619 137 HD21 ASN 450 HD21 ASN 450 5.393 10.592 2.596 138 HD22 ASN 450 HD22 ASN 450 7.066 11.028 2.627 139 H ARG 451 HN ARG 451 2.950 7.220 4.131 140 HA ARG 451 HA ARG 451 3.035 9.597 5.617 141 HB2 ARG 451 HB2 ARG 451 1.345 7.152 5.949 142 HB3 ARG 451 HB1 ARG 451 1.252 8.477 7.097 143 HG2 ARG 451 HG2 ARG 451 1.006 9.734 4.658 144 HG3 ARG 451 HG1 ARG 451 0.117 8.225 4.441 145 HD2 ARG 451 HD2 ARG 451 -0.320 10.343 6.540 146 HD3 ARG 451 HD1 ARG 451 -1.422 9.859 5.256 147 HE ARG 451 HE ARG 451 -0.690 7.952 7.374 148 HH11 ARG 451 HH11 ARG 451 -3.141 9.833 5.697 149 HH12 ARG 451 HH12 ARG 451 -4.474 9.028 6.480 150 HH21 ARG 451 HH21 ARG 451 -2.426 6.932 8.437 151 HH22 ARG 451 HH22 ARG 451 -4.063 7.381 8.051 152 H THR 452 HN THR 452 3.495 6.272 6.678 153 HA THR 452 HA THR 452 4.953 7.281 9.024 154 HB THR 452 HB THR 452 4.209 4.977 9.997 155 HG1 THR 452 HG1 THR 452 2.699 3.961 8.901 156 HG21 THR 452 HG21 THR 452 2.241 7.242 9.624 157 HG22 THR 452 HG22 THR 452 3.487 7.149 10.869 158 HG23 THR 452 HG23 THR 452 2.155 5.994 10.868 159 H LEU 453 HN LEU 453 5.464 5.870 6.138 160 HA LEU 453 HA LEU 453 7.158 4.679 5.194 161 HB2 LEU 453 HB2 LEU 453 8.278 5.224 7.893 162 HB3 LEU 453 HB1 LEU 453 9.037 3.955 6.956 163 HG LEU 453 HG LEU 453 10.062 6.292 6.812 164 HD11 LEU 453 HD11 LEU 453 10.385 4.336 5.203 165 HD12 LEU 453 HD12 LEU 453 10.773 5.949 4.608 166 HD13 LEU 453 HD13 LEU 453 9.257 5.182 4.143 167 HD21 LEU 453 HD21 LEU 453 9.056 7.845 5.259 168 HD22 LEU 453 HD22 LEU 453 7.916 7.496 6.561 169 HD23 LEU 453 HD23 LEU 453 7.711 6.736 4.980 170 H GLU 454 HN GLU 454 4.825 3.491 6.173 171 HA GLU 454 HA GLU 454 5.645 0.974 7.428 172 HB2 GLU 454 HB2 GLU 454 2.979 2.331 7.084 173 HB3 GLU 454 HB1 GLU 454 3.107 0.649 7.583 174 HG2 GLU 454 HG2 GLU 454 4.387 2.944 9.041 175 HG3 GLU 454 HG1 GLU 454 2.810 2.265 9.442 176 H SER 455 HN SER 455 5.599 -0.908 6.396 177 HA SER 455 HA SER 455 4.565 -0.997 3.666 178 HB2 SER 455 HB2 SER 455 6.849 -1.883 4.133 179 HB3 SER 455 HB1 SER 455 6.140 -3.082 5.211 180 HG SER 455 HG SER 455 6.554 -3.886 3.085 181 H THR 456 HN THR 456 2.393 -1.298 3.694 182 HA THR 456 HA THR 456 1.364 -3.392 5.487 183 HB THR 456 HB THR 456 0.478 -1.312 6.285 184 HG1 THR 456 HG1 THR 456 -1.021 -3.076 6.167 185 HG21 THR 456 HG21 THR 456 0.794 0.110 4.355 186 HG22 THR 456 HG22 THR 456 -0.897 0.170 4.856 187 HG23 THR 456 HG23 THR 456 -0.425 -0.791 3.457 188 H TRP 457 HN TRP 457 0.007 -4.884 4.661 189 HA TRP 457 HA TRP 457 -0.122 -4.902 1.723 190 HB2 TRP 457 HB2 TRP 457 0.404 -7.183 3.663 191 HB3 TRP 457 HB1 TRP 457 0.188 -7.390 1.920 192 HD1 TRP 457 HD1 TRP 457 2.377 -5.068 4.136 193 HE1 TRP 457 HE1 TRP 457 4.694 -4.851 3.068 194 HE3 TRP 457 HE3 TRP 457 1.742 -8.234 0.154 195 HZ2 TRP 457 HZ2 TRP 457 6.064 -5.833 0.865 196 HZ3 TRP 457 HZ3 TRP 457 3.652 -8.567 -1.371 197 HH2 TRP 457 HH2 TRP 457 5.776 -7.410 -1.014 198 H GLU 458 HN GLU 458 -1.869 -4.062 3.966 199 HA GLU 458 HA GLU 458 -4.325 -5.473 3.175 200 HB2 GLU 458 HB2 GLU 458 -3.826 -3.769 5.637 201 HB3 GLU 458 HB1 GLU 458 -5.302 -4.644 5.266 202 HG2 GLU 458 HG2 GLU 458 -4.211 -5.915 6.899 203 HG3 GLU 458 HG1 GLU 458 -3.921 -6.762 5.384 204 H LYS 459 HN LYS 459 -6.090 -4.119 2.520 205 HA LYS 459 HA LYS 459 -5.206 -1.790 1.115 206 HB2 LYS 459 HB2 LYS 459 -7.953 -2.986 1.447 207 HB3 LYS 459 HB1 LYS 459 -7.572 -1.653 0.362 208 HG2 LYS 459 HG2 LYS 459 -6.094 -3.044 -0.921 209 HG3 LYS 459 HG1 LYS 459 -6.281 -4.369 0.226 210 HD2 LYS 459 HD2 LYS 459 -8.653 -4.536 -0.353 211 HD3 LYS 459 HD1 LYS 459 -8.468 -3.202 -1.496 212 HE2 LYS 459 HE2 LYS 459 -6.926 -4.499 -2.824 213 HE3 LYS 459 HE1 LYS 459 -6.953 -5.805 -1.642 214 HZ1 LYS 459 HZ1 LYS 459 -9.327 -4.893 -3.180 215 HZ2 LYS 459 HZ2 LYS 459 -9.230 -6.248 -2.162 216 HZ3 LYS 459 HZ3 LYS 459 -8.356 -6.215 -3.613 217 HA PRO 460 HA PRO 460 -5.936 0.949 4.644 218 HB2 PRO 460 HB2 PRO 460 -5.027 3.036 2.788 219 HB3 PRO 460 HB1 PRO 460 -4.346 2.535 4.336 220 HG2 PRO 460 HG2 PRO 460 -3.131 2.008 1.996 221 HG3 PRO 460 HG1 PRO 460 -3.033 0.911 3.385 222 HD2 PRO 460 HD2 PRO 460 -4.707 0.703 0.917 223 HD3 PRO 460 HD1 PRO 460 -3.850 -0.562 1.824 224 H GLN 461 HN GLN 461 -7.588 2.197 5.222 225 HA GLN 461 HA GLN 461 -9.803 2.648 3.521 226 HB2 GLN 461 HB2 GLN 461 -10.129 2.330 5.886 227 HB3 GLN 461 HB1 GLN 461 -9.102 3.705 6.264 228 HG2 GLN 461 HG2 GLN 461 -10.805 5.142 5.081 229 HG3 GLN 461 HG1 GLN 461 -11.852 3.724 5.059 230 HE21 GLN 461 HE21 GLN 461 -10.279 6.098 7.066 231 HE22 GLN 461 HE22 GLN 461 -11.229 5.814 8.483 232 H GLU 462 HN GLU 462 -6.944 4.447 4.038 233 HA GLU 462 HA GLU 462 -7.997 7.074 3.775 234 HB2 GLU 462 HB2 GLU 462 -5.174 6.124 3.285 235 HB3 GLU 462 HB1 GLU 462 -5.683 7.780 3.584 236 HG2 GLU 462 HG2 GLU 462 -5.924 5.506 5.536 237 HG3 GLU 462 HG1 GLU 462 -4.665 6.737 5.547 238 H LEU 463 HN LEU 463 -7.705 4.658 1.510 239 HA LEU 463 HA LEU 463 -7.250 6.551 -0.692 240 HB2 LEU 463 HB2 LEU 463 -5.730 4.558 -0.441 241 HB3 LEU 463 HB1 LEU 463 -7.112 3.539 -0.788 242 HG LEU 463 HG LEU 463 -7.298 4.495 -3.022 243 HD11 LEU 463 HD11 LEU 463 -4.889 6.143 -2.263 244 HD12 LEU 463 HD12 LEU 463 -6.522 6.757 -2.517 245 HD13 LEU 463 HD13 LEU 463 -5.622 6.058 -3.864 246 HD21 LEU 463 HD21 LEU 463 -5.228 3.617 -3.965 247 HD22 LEU 463 HD22 LEU 463 -5.839 2.564 -2.690 248 HD23 LEU 463 HD23 LEU 463 -4.480 3.644 -2.365 249 H LYS 464 HN LYS 464 -9.752 5.438 0.963 250 HA LYS 464 HA LYS 464 -11.432 4.992 -1.411 251 HB2 LYS 464 HB2 LYS 464 -11.451 3.050 0.037 252 HB3 LYS 464 HB1 LYS 464 -11.834 4.049 1.434 253 HG2 LYS 464 HG2 LYS 464 -13.986 4.627 0.423 254 HG3 LYS 464 HG1 LYS 464 -13.600 3.605 -0.963 255 HD2 LYS 464 HD2 LYS 464 -13.622 1.639 0.387 256 HD3 LYS 464 HD1 LYS 464 -13.720 2.592 1.872 257 HE2 LYS 464 HE2 LYS 464 -15.828 2.560 -0.286 258 HE3 LYS 464 HE1 LYS 464 -15.887 1.588 1.186 259 HZ1 LYS 464 HZ1 LYS 464 -17.163 3.718 1.266 260 HZ2 LYS 464 HZ2 LYS 464 -15.692 4.554 1.202 261 HZ3 LYS 464 HZ3 LYS 464 -16.027 3.531 2.511 Start of MODEL 7 1 H SER 433 HT1 SER 433 2.568 11.268 -4.280 2 HA SER 433 HA SER 433 -0.096 10.043 -3.910 3 HB2 SER 433 HB2 SER 433 1.139 9.411 -5.998 4 HB3 SER 433 HB1 SER 433 2.474 8.854 -4.994 5 HG SER 433 HG SER 433 1.012 7.172 -5.644 6 H GLU 434 HN GLU 434 -0.403 9.223 -1.954 7 HA GLU 434 HA GLU 434 1.883 9.153 -0.123 8 HB2 GLU 434 HB2 GLU 434 0.097 9.095 1.650 9 HB3 GLU 434 HB1 GLU 434 0.138 10.555 0.670 10 HG2 GLU 434 HG2 GLU 434 -1.718 9.716 -0.670 11 HG3 GLU 434 HG1 GLU 434 -1.758 8.245 0.301 12 H TRP 435 HN TRP 435 -0.326 7.074 -1.742 13 HA TRP 435 HA TRP 435 0.614 4.830 -0.075 14 HB2 TRP 435 HB2 TRP 435 -1.972 4.931 -1.659 15 HB3 TRP 435 HB1 TRP 435 -1.446 3.640 -0.577 16 HD1 TRP 435 HD1 TRP 435 -3.554 6.644 -0.597 17 HE1 TRP 435 HE1 TRP 435 -4.077 7.439 1.796 18 HE3 TRP 435 HE3 TRP 435 -0.240 3.732 1.969 19 HZ2 TRP 435 HZ2 TRP 435 -3.211 6.893 4.418 20 HZ3 TRP 435 HZ3 TRP 435 -0.157 3.925 4.414 21 HH2 TRP 435 HH2 TRP 435 -1.591 5.489 5.614 22 H THR 436 HN THR 436 2.155 3.750 -1.126 23 HA THR 436 HA THR 436 2.060 3.589 -4.029 24 HB THR 436 HB THR 436 4.087 2.469 -2.078 25 HG1 THR 436 HG1 THR 436 3.758 4.906 -2.860 26 HG21 THR 436 HG21 THR 436 5.466 1.991 -4.056 27 HG22 THR 436 HG22 THR 436 4.160 2.538 -5.106 28 HG23 THR 436 HG23 THR 436 3.947 1.091 -4.117 29 H GLU 437 HN GLU 437 0.217 2.348 -4.327 30 HA GLU 437 HA GLU 437 0.295 -0.371 -3.316 31 HB2 GLU 437 HB2 GLU 437 -1.804 -0.376 -5.031 32 HB3 GLU 437 HB1 GLU 437 -1.919 0.059 -3.334 33 HG2 GLU 437 HG2 GLU 437 -3.102 1.685 -4.595 34 HG3 GLU 437 HG1 GLU 437 -1.632 2.440 -3.986 35 H ARG 438 HN ARG 438 2.086 -1.202 -4.291 36 HA ARG 438 HA ARG 438 2.199 -1.110 -7.203 37 HB2 ARG 438 HB2 ARG 438 4.278 -0.663 -5.947 38 HB3 ARG 438 HB1 ARG 438 4.185 -2.270 -5.238 39 HG2 ARG 438 HG2 ARG 438 4.511 -3.302 -7.376 40 HG3 ARG 438 HG1 ARG 438 4.404 -1.742 -8.194 41 HD2 ARG 438 HD2 ARG 438 6.430 -0.999 -7.077 42 HD3 ARG 438 HD1 ARG 438 6.523 -2.523 -6.197 43 HE ARG 438 HE ARG 438 6.674 -3.515 -8.572 44 HH11 ARG 438 HH11 ARG 438 8.016 -0.443 -7.574 45 HH12 ARG 438 HH12 ARG 438 9.316 -0.484 -8.725 46 HH21 ARG 438 HH21 ARG 438 8.371 -3.594 -10.071 47 HH22 ARG 438 HH22 ARG 438 9.512 -2.278 -10.171 48 H LYS 439 HN LYS 439 1.177 -2.573 -8.282 49 HA LYS 439 HA LYS 439 0.440 -5.049 -6.963 50 HB2 LYS 439 HB2 LYS 439 -0.935 -5.383 -9.079 51 HB3 LYS 439 HB1 LYS 439 -1.399 -4.053 -8.029 52 HG2 LYS 439 HG2 LYS 439 0.005 -2.576 -9.563 53 HG3 LYS 439 HG1 LYS 439 0.002 -3.943 -10.679 54 HD2 LYS 439 HD2 LYS 439 -1.791 -2.421 -11.246 55 HD3 LYS 439 HD1 LYS 439 -2.465 -3.934 -10.639 56 HE2 LYS 439 HE2 LYS 439 -3.695 -2.125 -9.667 57 HE3 LYS 439 HE1 LYS 439 -2.703 -2.854 -8.407 58 HZ1 LYS 439 HZ1 LYS 439 -2.582 -0.480 -8.243 59 HZ2 LYS 439 HZ2 LYS 439 -2.137 -0.333 -9.872 60 HZ3 LYS 439 HZ3 LYS 439 -1.073 -1.052 -8.768 61 H THR 440 HN THR 440 2.162 -6.295 -6.899 62 HA THR 440 HA THR 440 3.725 -6.803 -9.289 63 HB THR 440 HB THR 440 5.002 -8.363 -7.776 64 HG1 THR 440 HG1 THR 440 2.874 -7.765 -6.139 65 HG21 THR 440 HG21 THR 440 4.671 -5.511 -6.834 66 HG22 THR 440 HG22 THR 440 5.756 -6.070 -8.107 67 HG23 THR 440 HG23 THR 440 6.026 -6.565 -6.436 68 H ALA 441 HN ALA 441 3.975 -8.851 -10.252 69 HA ALA 441 HA ALA 441 1.480 -10.146 -10.671 70 HB1 ALA 441 HB1 ALA 441 4.222 -10.951 -11.630 71 HB2 ALA 441 HB2 ALA 441 3.129 -9.834 -12.449 72 HB3 ALA 441 HB3 ALA 441 2.683 -11.531 -12.267 73 H ASP 442 HN ASP 442 3.632 -10.521 -8.220 74 HA ASP 442 HA ASP 442 3.561 -13.357 -7.861 75 HB2 ASP 442 HB2 ASP 442 5.281 -11.720 -6.918 76 HB3 ASP 442 HB1 ASP 442 4.065 -11.273 -5.729 77 H GLY 443 HN GLY 443 1.184 -11.127 -7.788 78 HA2 GLY 443 HA2 GLY 443 -1.063 -11.647 -7.410 79 HA3 GLY 443 HA1 GLY 443 -0.561 -12.985 -6.391 80 H LYS 444 HN LYS 444 0.663 -9.722 -6.000 81 HA LYS 444 HA LYS 444 -1.064 -9.285 -3.711 82 HB2 LYS 444 HB2 LYS 444 0.935 -8.988 -2.190 83 HB3 LYS 444 HB1 LYS 444 0.546 -10.645 -2.637 84 HG2 LYS 444 HG2 LYS 444 2.301 -10.280 -4.512 85 HG3 LYS 444 HG1 LYS 444 2.837 -8.937 -3.500 86 HD2 LYS 444 HD2 LYS 444 4.120 -10.934 -2.994 87 HD3 LYS 444 HD1 LYS 444 3.113 -10.490 -1.613 88 HE2 LYS 444 HE2 LYS 444 1.591 -12.236 -2.027 89 HE3 LYS 444 HE1 LYS 444 2.205 -12.496 -3.659 90 HZ1 LYS 444 HZ1 LYS 444 4.274 -13.308 -2.712 91 HZ2 LYS 444 HZ2 LYS 444 2.960 -14.223 -2.165 92 HZ3 LYS 444 HZ3 LYS 444 3.674 -13.080 -1.138 93 H THR 445 HN THR 445 -1.563 -7.228 -3.572 94 HA THR 445 HA THR 445 0.158 -5.193 -4.758 95 HB THR 445 HB THR 445 -1.673 -3.616 -4.116 96 HG1 THR 445 HG1 THR 445 -2.413 -5.071 -2.352 97 HG21 THR 445 HG21 THR 445 -2.943 -5.889 -5.568 98 HG22 THR 445 HG22 THR 445 -1.595 -5.021 -6.297 99 HG23 THR 445 HG23 THR 445 -3.079 -4.162 -5.881 100 H TYR 446 HN TYR 446 1.867 -4.698 -3.426 101 HA TYR 446 HA TYR 446 1.306 -4.578 -0.574 102 HB2 TYR 446 HB2 TYR 446 3.617 -4.444 -0.156 103 HB3 TYR 446 HB1 TYR 446 3.393 -5.682 -1.364 104 HD1 TYR 446 HD1 TYR 446 4.147 -5.252 -3.712 105 HD2 TYR 446 HD2 TYR 446 4.909 -2.515 -0.545 106 HE1 TYR 446 HE1 TYR 446 5.935 -4.210 -5.042 107 HE2 TYR 446 HE2 TYR 446 6.686 -1.460 -1.870 108 HH TYR 446 HH TYR 446 8.227 -2.135 -3.738 109 H TYR 447 HN TYR 447 1.113 -2.836 0.557 110 HA TYR 447 HA TYR 447 1.335 -0.291 -0.859 111 HB2 TYR 447 HB2 TYR 447 -0.281 -1.120 1.551 112 HB3 TYR 447 HB1 TYR 447 -0.119 0.553 1.041 113 HD1 TYR 447 HD2 TYR 447 -0.978 -2.742 -0.572 114 HD2 TYR 447 HD1 TYR 447 -1.916 1.387 -0.116 115 HE1 TYR 447 HE2 TYR 447 -2.912 -3.027 -2.077 116 HE2 TYR 447 HE1 TYR 447 -3.854 1.113 -1.603 117 HH TYR 447 HH TYR 447 -4.606 -0.413 -3.407 118 H TYR 448 HN TYR 448 3.558 0.027 -0.555 119 HA TYR 448 HA TYR 448 4.472 0.506 2.138 120 HB2 TYR 448 HB2 TYR 448 6.226 -0.156 0.728 121 HB3 TYR 448 HB1 TYR 448 5.664 0.852 -0.600 122 HD1 TYR 448 HD1 TYR 448 6.747 1.417 2.956 123 HD2 TYR 448 HD2 TYR 448 7.057 2.588 -1.124 124 HE1 TYR 448 HE1 TYR 448 8.342 3.183 3.588 125 HE2 TYR 448 HE2 TYR 448 8.654 4.348 -0.505 126 HH TYR 448 HH TYR 448 9.206 5.694 1.541 127 H ASN 449 HN ASN 449 4.259 2.255 3.222 128 HA ASN 449 HA ASN 449 2.781 4.497 2.045 129 HB2 ASN 449 HB2 ASN 449 1.495 3.642 3.758 130 HB3 ASN 449 HB1 ASN 449 2.895 3.149 4.703 131 HD21 ASN 449 HD21 ASN 449 0.889 5.834 3.777 132 HD22 ASN 449 HD22 ASN 449 1.290 6.844 5.109 133 H ASN 450 HN ASN 450 3.445 6.603 2.249 134 HA ASN 450 HA ASN 450 6.092 7.016 3.446 135 HB2 ASN 450 HB2 ASN 450 6.152 9.126 2.106 136 HB3 ASN 450 HB1 ASN 450 6.080 7.658 1.142 137 HD21 ASN 450 HD21 ASN 450 5.308 8.801 -0.626 138 HD22 ASN 450 HD22 ASN 450 3.671 9.364 -0.712 139 H ARG 451 HN ARG 451 2.878 7.467 4.232 140 HA ARG 451 HA ARG 451 2.905 9.980 5.484 141 HB2 ARG 451 HB2 ARG 451 1.318 7.511 6.076 142 HB3 ARG 451 HB1 ARG 451 1.179 8.952 7.071 143 HG2 ARG 451 HG2 ARG 451 0.564 10.209 4.984 144 HG3 ARG 451 HG1 ARG 451 0.480 8.646 4.163 145 HD2 ARG 451 HD2 ARG 451 -1.173 7.890 5.828 146 HD3 ARG 451 HD1 ARG 451 -1.117 9.479 6.584 147 HE ARG 451 HE ARG 451 -1.757 9.778 3.853 148 HH11 ARG 451 HH11 ARG 451 -3.163 8.653 6.879 149 HH12 ARG 451 HH12 ARG 451 -4.805 8.893 6.336 150 HH21 ARG 451 HH21 ARG 451 -3.900 10.107 3.168 151 HH22 ARG 451 HH22 ARG 451 -5.216 9.732 4.249 152 H THR 452 HN THR 452 3.462 6.763 6.839 153 HA THR 452 HA THR 452 4.850 8.019 9.115 154 HB THR 452 HB THR 452 3.633 5.313 9.372 155 HG1 THR 452 HG1 THR 452 1.665 6.005 9.085 156 HG21 THR 452 HG21 THR 452 3.165 6.114 11.634 157 HG22 THR 452 HG22 THR 452 3.786 7.707 11.200 158 HG23 THR 452 HG23 THR 452 4.868 6.315 11.226 159 H LEU 453 HN LEU 453 5.432 6.383 6.371 160 HA LEU 453 HA LEU 453 6.972 4.929 5.566 161 HB2 LEU 453 HB2 LEU 453 8.257 5.744 8.134 162 HB3 LEU 453 HB1 LEU 453 8.909 4.360 7.284 163 HG LEU 453 HG LEU 453 9.972 6.683 6.885 164 HD11 LEU 453 HD11 LEU 453 10.214 4.490 5.539 165 HD12 LEU 453 HD12 LEU 453 10.730 6.008 4.807 166 HD13 LEU 453 HD13 LEU 453 9.182 5.300 4.359 167 HD21 LEU 453 HD21 LEU 453 8.974 8.035 5.170 168 HD22 LEU 453 HD22 LEU 453 7.795 7.823 6.468 169 HD23 LEU 453 HD23 LEU 453 7.652 6.883 4.977 170 H GLU 454 HN GLU 454 5.226 3.442 5.624 171 HA GLU 454 HA GLU 454 5.486 1.334 7.666 172 HB2 GLU 454 HB2 GLU 454 2.939 2.452 6.476 173 HB3 GLU 454 HB1 GLU 454 3.021 1.043 7.519 174 HG2 GLU 454 HG2 GLU 454 3.856 2.433 9.340 175 HG3 GLU 454 HG1 GLU 454 3.782 3.849 8.291 176 H SER 455 HN SER 455 5.147 -0.775 6.947 177 HA SER 455 HA SER 455 4.599 -1.083 4.068 178 HB2 SER 455 HB2 SER 455 6.837 -1.940 4.813 179 HB3 SER 455 HB1 SER 455 6.006 -3.063 5.888 180 HG SER 455 HG SER 455 6.632 -3.939 3.803 181 H THR 456 HN THR 456 2.524 -1.614 3.772 182 HA THR 456 HA THR 456 1.310 -3.468 5.682 183 HB THR 456 HB THR 456 0.548 -1.273 6.400 184 HG1 THR 456 HG1 THR 456 -0.939 -3.177 6.237 185 HG21 THR 456 HG21 THR 456 -0.706 0.225 5.012 186 HG22 THR 456 HG22 THR 456 -0.673 -0.914 3.670 187 HG23 THR 456 HG23 THR 456 0.817 -0.129 4.193 188 H TRP 457 HN TRP 457 0.034 -4.958 4.815 189 HA TRP 457 HA TRP 457 -0.036 -4.962 1.877 190 HB2 TRP 457 HB2 TRP 457 0.573 -7.218 3.814 191 HB3 TRP 457 HB1 TRP 457 0.334 -7.452 2.076 192 HD1 TRP 457 HD1 TRP 457 2.482 -5.026 4.228 193 HE1 TRP 457 HE1 TRP 457 4.771 -4.745 3.113 194 HE3 TRP 457 HE3 TRP 457 1.856 -8.243 0.296 195 HZ2 TRP 457 HZ2 TRP 457 6.119 -5.708 0.866 196 HZ3 TRP 457 HZ3 TRP 457 3.727 -8.531 -1.280 197 HH2 TRP 457 HH2 TRP 457 5.822 -7.311 -0.992 198 H GLU 458 HN GLU 458 -1.860 -4.282 4.167 199 HA GLU 458 HA GLU 458 -4.241 -5.596 3.050 200 HB2 GLU 458 HB2 GLU 458 -3.820 -4.427 5.815 201 HB3 GLU 458 HB1 GLU 458 -5.341 -5.076 5.213 202 HG2 GLU 458 HG2 GLU 458 -4.470 -7.271 5.104 203 HG3 GLU 458 HG1 GLU 458 -2.823 -6.703 5.364 204 H LYS 459 HN LYS 459 -5.667 -4.232 2.086 205 HA LYS 459 HA LYS 459 -4.726 -1.722 1.266 206 HB2 LYS 459 HB2 LYS 459 -7.543 -2.810 1.132 207 HB3 LYS 459 HB1 LYS 459 -6.944 -1.428 0.227 208 HG2 LYS 459 HG2 LYS 459 -5.377 -2.855 -0.960 209 HG3 LYS 459 HG1 LYS 459 -5.915 -4.248 -0.020 210 HD2 LYS 459 HD2 LYS 459 -7.091 -4.467 -2.015 211 HD3 LYS 459 HD1 LYS 459 -8.259 -3.690 -0.948 212 HE2 LYS 459 HE2 LYS 459 -6.523 -2.251 -2.955 213 HE3 LYS 459 HE1 LYS 459 -8.199 -2.715 -3.226 214 HZ1 LYS 459 HZ1 LYS 459 -8.787 -1.310 -1.279 215 HZ2 LYS 459 HZ2 LYS 459 -8.142 -0.440 -2.585 216 HZ3 LYS 459 HZ3 LYS 459 -7.181 -0.771 -1.233 217 HA PRO 460 HA PRO 460 -5.759 0.692 4.917 218 HB2 PRO 460 HB2 PRO 460 -5.128 3.085 3.625 219 HB3 PRO 460 HB1 PRO 460 -4.011 2.104 4.570 220 HG2 PRO 460 HG2 PRO 460 -4.361 2.273 1.630 221 HG3 PRO 460 HG1 PRO 460 -2.891 1.990 2.575 222 HD2 PRO 460 HD2 PRO 460 -4.158 0.012 1.243 223 HD3 PRO 460 HD1 PRO 460 -3.296 -0.267 2.769 224 H GLN 461 HN GLN 461 -7.556 1.770 5.521 225 HA GLN 461 HA GLN 461 -9.773 1.973 3.779 226 HB2 GLN 461 HB2 GLN 461 -10.952 2.992 5.619 227 HB3 GLN 461 HB1 GLN 461 -9.964 1.678 6.242 228 HG2 GLN 461 HG2 GLN 461 -9.148 4.571 6.318 229 HG3 GLN 461 HG1 GLN 461 -9.974 3.744 7.637 230 HE21 GLN 461 HE21 GLN 461 -7.292 4.986 7.432 231 HE22 GLN 461 HE22 GLN 461 -6.175 3.736 7.910 232 H GLU 462 HN GLU 462 -7.139 4.050 4.365 233 HA GLU 462 HA GLU 462 -8.288 6.568 3.878 234 HB2 GLU 462 HB2 GLU 462 -5.488 5.672 3.169 235 HB3 GLU 462 HB1 GLU 462 -6.031 7.327 3.399 236 HG2 GLU 462 HG2 GLU 462 -5.961 5.209 5.531 237 HG3 GLU 462 HG1 GLU 462 -4.755 6.473 5.305 238 H LEU 463 HN LEU 463 -7.408 3.949 1.802 239 HA LEU 463 HA LEU 463 -8.211 5.564 -0.513 240 HB2 LEU 463 HB2 LEU 463 -5.812 4.917 -0.543 241 HB3 LEU 463 HB1 LEU 463 -6.292 3.233 -0.516 242 HG LEU 463 HG LEU 463 -7.320 3.450 -2.708 243 HD11 LEU 463 HD11 LEU 463 -6.415 6.327 -2.594 244 HD12 LEU 463 HD12 LEU 463 -8.087 5.767 -2.514 245 HD13 LEU 463 HD13 LEU 463 -7.146 5.523 -3.986 246 HD21 LEU 463 HD21 LEU 463 -4.584 4.706 -2.758 247 HD22 LEU 463 HD22 LEU 463 -5.332 3.708 -4.007 248 HD23 LEU 463 HD23 LEU 463 -4.872 2.993 -2.461 249 H LYS 464 HN LYS 464 -10.357 4.947 0.064 250 HA LYS 464 HA LYS 464 -11.175 2.623 -1.429 251 HB2 LYS 464 HB2 LYS 464 -10.871 1.642 0.815 252 HB3 LYS 464 HB1 LYS 464 -11.925 2.873 1.499 253 HG2 LYS 464 HG2 LYS 464 -13.767 2.013 0.078 254 HG3 LYS 464 HG1 LYS 464 -12.698 0.720 -0.459 255 HD2 LYS 464 HD2 LYS 464 -13.319 1.193 2.445 256 HD3 LYS 464 HD1 LYS 464 -14.336 0.184 1.421 257 HE2 LYS 464 HE2 LYS 464 -12.887 -1.319 2.473 258 HE3 LYS 464 HE1 LYS 464 -12.205 -1.100 0.864 259 HZ1 LYS 464 HZ1 LYS 464 -10.640 0.509 1.830 260 HZ2 LYS 464 HZ2 LYS 464 -10.473 -1.036 2.503 261 HZ3 LYS 464 HZ3 LYS 464 -11.269 0.186 3.372 Start of MODEL 8 1 H SER 433 HT1 SER 433 -1.794 11.215 -2.941 2 HA SER 433 HA SER 433 -0.369 9.359 -3.602 3 HB2 SER 433 HB2 SER 433 1.175 11.753 -2.573 4 HB3 SER 433 HB1 SER 433 1.588 10.732 -3.952 5 HG SER 433 HG SER 433 0.475 12.832 -4.361 6 H GLU 434 HN GLU 434 -0.954 9.138 -0.604 7 HA GLU 434 HA GLU 434 1.713 8.758 0.516 8 HB2 GLU 434 HB2 GLU 434 -1.029 8.897 1.772 9 HB3 GLU 434 HB1 GLU 434 0.430 8.532 2.679 10 HG2 GLU 434 HG2 GLU 434 -0.238 10.877 2.895 11 HG3 GLU 434 HG1 GLU 434 1.351 10.700 2.156 12 H TRP 435 HN TRP 435 -0.646 6.942 -0.976 13 HA TRP 435 HA TRP 435 0.280 4.479 0.348 14 HB2 TRP 435 HB2 TRP 435 -2.508 4.758 -0.777 15 HB3 TRP 435 HB1 TRP 435 -1.897 3.558 0.360 16 HD1 TRP 435 HD1 TRP 435 -3.660 6.835 0.224 17 HE1 TRP 435 HE1 TRP 435 -3.966 7.788 2.601 18 HE3 TRP 435 HE3 TRP 435 -0.623 3.620 2.759 19 HZ2 TRP 435 HZ2 TRP 435 -3.015 7.240 5.206 20 HZ3 TRP 435 HZ3 TRP 435 -0.356 3.903 5.182 21 HH2 TRP 435 HH2 TRP 435 -1.514 5.691 6.381 22 H THR 436 HN THR 436 1.563 3.539 -1.124 23 HA THR 436 HA THR 436 0.849 3.643 -3.948 24 HB THR 436 HB THR 436 3.254 2.482 -2.530 25 HG1 THR 436 HG1 THR 436 3.064 4.813 -2.821 26 HG21 THR 436 HG21 THR 436 2.730 1.094 -4.491 27 HG22 THR 436 HG22 THR 436 4.199 2.035 -4.755 28 HG23 THR 436 HG23 THR 436 2.685 2.541 -5.504 29 H GLU 437 HN GLU 437 -0.874 2.302 -4.295 30 HA GLU 437 HA GLU 437 -0.647 -0.459 -3.418 31 HB2 GLU 437 HB2 GLU 437 -2.824 -0.735 -4.717 32 HB3 GLU 437 HB1 GLU 437 -2.874 0.250 -3.266 33 HG2 GLU 437 HG2 GLU 437 -2.839 2.270 -4.612 34 HG3 GLU 437 HG1 GLU 437 -2.726 1.299 -6.083 35 H ARG 438 HN ARG 438 0.879 -1.465 -4.452 36 HA ARG 438 HA ARG 438 0.926 -1.317 -7.396 37 HB2 ARG 438 HB2 ARG 438 2.804 -0.101 -6.260 38 HB3 ARG 438 HB1 ARG 438 3.299 -1.626 -5.546 39 HG2 ARG 438 HG2 ARG 438 3.698 -2.532 -7.789 40 HG3 ARG 438 HG1 ARG 438 3.236 -0.975 -8.484 41 HD2 ARG 438 HD2 ARG 438 5.045 0.097 -7.196 42 HD3 ARG 438 HD1 ARG 438 5.529 -1.484 -6.593 43 HE ARG 438 HE ARG 438 5.517 -0.968 -9.489 44 HH11 ARG 438 HH11 ARG 438 7.249 -1.646 -6.523 45 HH12 ARG 438 HH12 ARG 438 8.736 -2.047 -7.329 46 HH21 ARG 438 HH21 ARG 438 7.494 -1.475 -10.560 47 HH22 ARG 438 HH22 ARG 438 8.876 -1.941 -9.613 48 H LYS 439 HN LYS 439 0.850 -3.255 -8.408 49 HA LYS 439 HA LYS 439 0.823 -5.606 -6.668 50 HB2 LYS 439 HB2 LYS 439 -1.137 -5.157 -8.169 51 HB3 LYS 439 HB1 LYS 439 -0.074 -5.429 -9.543 52 HG2 LYS 439 HG2 LYS 439 0.379 -7.710 -8.685 53 HG3 LYS 439 HG1 LYS 439 -0.805 -7.422 -7.409 54 HD2 LYS 439 HD2 LYS 439 -1.360 -7.351 -10.372 55 HD3 LYS 439 HD1 LYS 439 -1.761 -8.680 -9.286 56 HE2 LYS 439 HE2 LYS 439 -2.824 -5.864 -9.074 57 HE3 LYS 439 HE1 LYS 439 -3.694 -7.232 -9.768 58 HZ1 LYS 439 HZ1 LYS 439 -3.432 -8.337 -7.548 59 HZ2 LYS 439 HZ2 LYS 439 -4.451 -6.983 -7.566 60 HZ3 LYS 439 HZ3 LYS 439 -2.883 -6.850 -6.938 61 H THR 440 HN THR 440 2.542 -6.770 -6.522 62 HA THR 440 HA THR 440 4.555 -6.757 -8.615 63 HB THR 440 HB THR 440 5.794 -8.291 -7.058 64 HG1 THR 440 HG1 THR 440 4.933 -8.702 -5.035 65 HG21 THR 440 HG21 THR 440 6.168 -5.875 -6.990 66 HG22 THR 440 HG22 THR 440 6.282 -6.574 -5.376 67 HG23 THR 440 HG23 THR 440 4.831 -5.694 -5.854 68 H ALA 441 HN ALA 441 5.291 -8.687 -9.649 69 HA ALA 441 HA ALA 441 3.113 -10.172 -10.694 70 HB1 ALA 441 HB1 ALA 441 5.054 -9.525 -12.035 71 HB2 ALA 441 HB2 ALA 441 4.768 -11.265 -12.088 72 HB3 ALA 441 HB3 ALA 441 6.066 -10.616 -11.087 73 H ASP 442 HN ASP 442 4.437 -10.565 -7.799 74 HA ASP 442 HA ASP 442 4.494 -13.463 -7.725 75 HB2 ASP 442 HB2 ASP 442 6.027 -12.212 -6.289 76 HB3 ASP 442 HB1 ASP 442 4.679 -11.371 -5.539 77 H GLY 443 HN GLY 443 2.197 -11.053 -7.760 78 HA2 GLY 443 HA2 GLY 443 -0.123 -11.402 -7.774 79 HA3 GLY 443 HA1 GLY 443 0.124 -12.926 -6.934 80 H LYS 444 HN LYS 444 1.274 -9.683 -6.080 81 HA LYS 444 HA LYS 444 -0.529 -9.691 -3.771 82 HB2 LYS 444 HB2 LYS 444 2.472 -9.415 -3.630 83 HB3 LYS 444 HB1 LYS 444 1.397 -8.927 -2.328 84 HG2 LYS 444 HG2 LYS 444 0.584 -11.221 -2.131 85 HG3 LYS 444 HG1 LYS 444 1.661 -11.713 -3.439 86 HD2 LYS 444 HD2 LYS 444 3.596 -11.137 -2.124 87 HD3 LYS 444 HD1 LYS 444 2.577 -10.477 -0.844 88 HE2 LYS 444 HE2 LYS 444 3.398 -12.706 -0.270 89 HE3 LYS 444 HE1 LYS 444 1.644 -12.691 -0.431 90 HZ1 LYS 444 HZ1 LYS 444 1.833 -13.683 -2.592 91 HZ2 LYS 444 HZ2 LYS 444 2.696 -14.629 -1.488 92 HZ3 LYS 444 HZ3 LYS 444 3.524 -13.592 -2.549 93 H THR 445 HN THR 445 -1.484 -7.786 -3.509 94 HA THR 445 HA THR 445 -0.371 -5.415 -4.809 95 HB THR 445 HB THR 445 -2.889 -5.339 -3.202 96 HG1 THR 445 HG1 THR 445 -3.228 -7.185 -4.444 97 HG21 THR 445 HG21 THR 445 -3.565 -3.775 -4.962 98 HG22 THR 445 HG22 THR 445 -2.059 -4.084 -5.826 99 HG23 THR 445 HG23 THR 445 -2.024 -3.299 -4.248 100 H TYR 446 HN TYR 446 1.349 -4.785 -3.499 101 HA TYR 446 HA TYR 446 0.829 -4.613 -0.643 102 HB2 TYR 446 HB2 TYR 446 3.117 -4.252 -0.292 103 HB3 TYR 446 HB1 TYR 446 3.017 -5.499 -1.509 104 HD1 TYR 446 HD1 TYR 446 3.386 -4.741 -3.981 105 HD2 TYR 446 HD2 TYR 446 4.421 -2.387 -0.595 106 HE1 TYR 446 HE1 TYR 446 4.972 -3.459 -5.360 107 HE2 TYR 446 HE2 TYR 446 6.004 -1.099 -1.956 108 HH TYR 446 HH TYR 446 7.280 -1.324 -4.014 109 H TYR 447 HN TYR 447 0.631 -2.819 0.481 110 HA TYR 447 HA TYR 447 0.718 -0.311 -1.016 111 HB2 TYR 447 HB2 TYR 447 -0.678 -1.054 1.556 112 HB3 TYR 447 HB1 TYR 447 -0.512 0.603 1.010 113 HD1 TYR 447 HD2 TYR 447 -1.687 -2.692 -0.433 114 HD2 TYR 447 HD1 TYR 447 -2.317 1.511 -0.040 115 HE1 TYR 447 HE2 TYR 447 -3.763 -2.879 -1.727 116 HE2 TYR 447 HE1 TYR 447 -4.390 1.319 -1.339 117 HH TYR 447 HH TYR 447 -5.406 -0.139 -2.967 118 H TYR 448 HN TYR 448 2.943 0.112 -0.912 119 HA TYR 448 HA TYR 448 4.099 0.457 1.702 120 HB2 TYR 448 HB2 TYR 448 5.787 -0.025 0.181 121 HB3 TYR 448 HB1 TYR 448 5.049 0.929 -1.103 122 HD1 TYR 448 HD1 TYR 448 6.606 1.418 2.275 123 HD2 TYR 448 HD2 TYR 448 6.023 2.953 -1.653 124 HE1 TYR 448 HE1 TYR 448 8.074 3.325 2.810 125 HE2 TYR 448 HE2 TYR 448 7.492 4.855 -1.135 126 HH TYR 448 HH TYR 448 9.494 4.968 1.569 127 H ASN 449 HN ASN 449 3.870 2.058 2.924 128 HA ASN 449 HA ASN 449 2.476 4.465 2.029 129 HB2 ASN 449 HB2 ASN 449 1.235 3.602 3.750 130 HB3 ASN 449 HB1 ASN 449 2.626 2.853 4.523 131 HD21 ASN 449 HD21 ASN 449 0.884 5.814 4.042 132 HD22 ASN 449 HD22 ASN 449 1.473 6.612 5.452 133 H ASN 450 HN ASN 450 3.344 6.443 2.211 134 HA ASN 450 HA ASN 450 6.116 6.584 3.150 135 HB2 ASN 450 HB2 ASN 450 5.583 7.252 0.795 136 HB3 ASN 450 HB1 ASN 450 4.618 8.576 1.436 137 HD21 ASN 450 HD21 ASN 450 7.871 7.252 1.237 138 HD22 ASN 450 HD22 ASN 450 8.690 8.752 1.498 139 H ARG 451 HN ARG 451 3.082 7.183 4.323 140 HA ARG 451 HA ARG 451 3.422 9.629 5.686 141 HB2 ARG 451 HB2 ARG 451 1.723 7.247 6.303 142 HB3 ARG 451 HB1 ARG 451 1.794 8.627 7.384 143 HG2 ARG 451 HG2 ARG 451 0.948 8.741 4.497 144 HG3 ARG 451 HG1 ARG 451 -0.147 8.673 5.878 145 HD2 ARG 451 HD2 ARG 451 -0.093 10.927 5.554 146 HD3 ARG 451 HD1 ARG 451 1.270 10.758 6.658 147 HE ARG 451 HE ARG 451 1.887 10.643 3.826 148 HH11 ARG 451 HH11 ARG 451 1.826 12.539 6.765 149 HH12 ARG 451 HH12 ARG 451 2.783 13.828 6.096 150 HH21 ARG 451 HH21 ARG 451 3.132 12.336 2.946 151 HH22 ARG 451 HH22 ARG 451 3.518 13.722 3.916 152 H THR 452 HN THR 452 3.940 6.297 6.708 153 HA THR 452 HA THR 452 5.625 7.264 8.924 154 HB THR 452 HB THR 452 4.143 4.645 8.974 155 HG1 THR 452 HG1 THR 452 3.126 7.078 10.050 156 HG21 THR 452 HG21 THR 452 4.271 4.987 11.402 157 HG22 THR 452 HG22 THR 452 5.107 6.517 11.141 158 HG23 THR 452 HG23 THR 452 5.873 5.002 10.662 159 H LEU 453 HN LEU 453 5.812 5.886 5.988 160 HA LEU 453 HA LEU 453 7.337 4.621 4.859 161 HB2 LEU 453 HB2 LEU 453 8.728 4.937 7.485 162 HB3 LEU 453 HB1 LEU 453 9.313 3.703 6.388 163 HG LEU 453 HG LEU 453 10.503 5.940 6.302 164 HD11 LEU 453 HD11 LEU 453 10.435 4.154 4.475 165 HD12 LEU 453 HD12 LEU 453 10.917 5.784 4.010 166 HD13 LEU 453 HD13 LEU 453 9.287 5.218 3.660 167 HD21 LEU 453 HD21 LEU 453 9.467 7.731 5.056 168 HD22 LEU 453 HD22 LEU 453 8.473 7.336 6.459 169 HD23 LEU 453 HD23 LEU 453 7.999 6.773 4.850 170 H GLU 454 HN GLU 454 5.010 3.621 6.116 171 HA GLU 454 HA GLU 454 5.683 1.032 7.277 172 HB2 GLU 454 HB2 GLU 454 3.084 2.528 6.920 173 HB3 GLU 454 HB1 GLU 454 3.165 0.891 7.550 174 HG2 GLU 454 HG2 GLU 454 4.685 3.144 8.803 175 HG3 GLU 454 HG1 GLU 454 3.004 2.802 9.214 176 H SER 455 HN SER 455 5.929 -0.673 5.927 177 HA SER 455 HA SER 455 4.446 -0.698 3.423 178 HB2 SER 455 HB2 SER 455 6.317 -2.808 4.533 179 HB3 SER 455 HB1 SER 455 5.690 -2.719 2.888 180 HG SER 455 HG SER 455 6.902 -0.403 3.641 181 H THR 456 HN THR 456 2.391 -1.278 3.541 182 HA THR 456 HA THR 456 1.629 -3.254 5.578 183 HB THR 456 HB THR 456 0.908 -1.043 6.322 184 HG1 THR 456 HG1 THR 456 -1.308 -1.549 6.580 185 HG21 THR 456 HG21 THR 456 0.728 0.162 4.248 186 HG22 THR 456 HG22 THR 456 -0.840 0.188 5.057 187 HG23 THR 456 HG23 THR 456 -0.569 -0.900 3.699 188 H TRP 457 HN TRP 457 0.247 -4.808 4.968 189 HA TRP 457 HA TRP 457 -0.227 -4.907 2.068 190 HB2 TRP 457 HB2 TRP 457 0.633 -7.114 3.972 191 HB3 TRP 457 HB1 TRP 457 0.236 -7.364 2.265 192 HD1 TRP 457 HD1 TRP 457 2.556 -4.928 4.221 193 HE1 TRP 457 HE1 TRP 457 4.714 -4.597 2.881 194 HE3 TRP 457 HE3 TRP 457 1.589 -8.093 0.305 195 HZ2 TRP 457 HZ2 TRP 457 5.837 -5.475 0.499 196 HZ3 TRP 457 HZ3 TRP 457 3.306 -8.317 -1.451 197 HH2 TRP 457 HH2 TRP 457 5.399 -7.056 -1.344 198 H GLU 458 HN GLU 458 -1.771 -4.244 4.636 199 HA GLU 458 HA GLU 458 -4.229 -5.660 3.860 200 HB2 GLU 458 HB2 GLU 458 -3.238 -5.318 6.377 201 HB3 GLU 458 HB1 GLU 458 -4.226 -3.872 6.228 202 HG2 GLU 458 HG2 GLU 458 -5.136 -6.726 5.961 203 HG3 GLU 458 HG1 GLU 458 -5.513 -5.602 7.264 204 H LYS 459 HN LYS 459 -5.966 -4.406 3.146 205 HA LYS 459 HA LYS 459 -5.173 -2.110 1.666 206 HB2 LYS 459 HB2 LYS 459 -7.943 -3.223 2.121 207 HB3 LYS 459 HB1 LYS 459 -7.473 -2.098 0.854 208 HG2 LYS 459 HG2 LYS 459 -6.073 -3.757 -0.174 209 HG3 LYS 459 HG1 LYS 459 -6.367 -4.880 1.154 210 HD2 LYS 459 HD2 LYS 459 -8.783 -4.846 0.565 211 HD3 LYS 459 HD1 LYS 459 -8.385 -3.857 -0.842 212 HE2 LYS 459 HE2 LYS 459 -6.935 -5.631 -1.686 213 HE3 LYS 459 HE1 LYS 459 -7.303 -6.614 -0.270 214 HZ1 LYS 459 HZ1 LYS 459 -9.199 -5.770 -2.390 215 HZ2 LYS 459 HZ2 LYS 459 -9.657 -6.575 -0.970 216 HZ3 LYS 459 HZ3 LYS 459 -8.637 -7.341 -2.087 217 HA PRO 460 HA PRO 460 -6.383 0.858 4.871 218 HB2 PRO 460 HB2 PRO 460 -5.037 2.878 3.346 219 HB3 PRO 460 HB1 PRO 460 -4.532 2.148 4.869 220 HG2 PRO 460 HG2 PRO 460 -3.257 1.817 2.434 221 HG3 PRO 460 HG1 PRO 460 -3.073 0.759 3.841 222 HD2 PRO 460 HD2 PRO 460 -4.682 0.367 1.369 223 HD3 PRO 460 HD1 PRO 460 -3.854 -0.829 2.389 224 H GLN 461 HN GLN 461 -8.259 1.925 4.851 225 HA GLN 461 HA GLN 461 -9.615 2.303 2.325 226 HB2 GLN 461 HB2 GLN 461 -10.730 1.355 4.368 227 HB3 GLN 461 HB1 GLN 461 -10.609 2.946 5.107 228 HG2 GLN 461 HG2 GLN 461 -12.824 2.598 4.211 229 HG3 GLN 461 HG1 GLN 461 -12.000 3.877 3.322 230 HE21 GLN 461 HE21 GLN 461 -13.229 3.662 1.487 231 HE22 GLN 461 HE22 GLN 461 -13.133 2.289 0.444 232 H GLU 462 HN GLU 462 -7.507 4.131 4.092 233 HA GLU 462 HA GLU 462 -8.779 6.684 3.903 234 HB2 GLU 462 HB2 GLU 462 -7.041 6.076 5.602 235 HB3 GLU 462 HB1 GLU 462 -5.842 6.094 4.317 236 HG2 GLU 462 HG2 GLU 462 -6.080 8.418 3.991 237 HG3 GLU 462 HG1 GLU 462 -7.546 8.481 4.971 238 H LEU 463 HN LEU 463 -7.474 4.719 1.565 239 HA LEU 463 HA LEU 463 -6.519 6.915 -0.117 240 HB2 LEU 463 HB2 LEU 463 -5.539 4.447 0.121 241 HB3 LEU 463 HB1 LEU 463 -6.746 4.098 -1.095 242 HG LEU 463 HG LEU 463 -4.461 6.061 -1.383 243 HD11 LEU 463 HD11 LEU 463 -3.743 3.740 -1.409 244 HD12 LEU 463 HD12 LEU 463 -3.600 4.465 -3.011 245 HD13 LEU 463 HD13 LEU 463 -4.938 3.372 -2.655 246 HD21 LEU 463 HD21 LEU 463 -6.531 5.206 -3.401 247 HD22 LEU 463 HD22 LEU 463 -5.120 6.212 -3.731 248 HD23 LEU 463 HD23 LEU 463 -6.396 6.801 -2.663 249 H LYS 464 HN LYS 464 -9.283 4.890 0.392 250 HA LYS 464 HA LYS 464 -10.349 5.493 -2.271 251 HB2 LYS 464 HB2 LYS 464 -11.469 3.560 -0.237 252 HB3 LYS 464 HB1 LYS 464 -11.878 3.672 -1.943 253 HG2 LYS 464 HG2 LYS 464 -9.209 2.830 -0.831 254 HG3 LYS 464 HG1 LYS 464 -10.446 1.754 -1.476 255 HD2 LYS 464 HD2 LYS 464 -10.216 2.704 -3.667 256 HD3 LYS 464 HD1 LYS 464 -9.125 3.955 -3.060 257 HE2 LYS 464 HE2 LYS 464 -7.508 2.207 -2.435 258 HE3 LYS 464 HE1 LYS 464 -8.591 0.983 -3.097 259 HZ1 LYS 464 HZ1 LYS 464 -8.310 1.871 -5.270 260 HZ2 LYS 464 HZ2 LYS 464 -6.758 1.671 -4.604 261 HZ3 LYS 464 HZ3 LYS 464 -7.457 3.216 -4.693 Start of MODEL 9 1 H SER 433 HT1 SER 433 -1.983 9.482 -5.874 2 HA SER 433 HA SER 433 -2.088 9.155 -3.521 3 HB2 SER 433 HB2 SER 433 -2.870 7.332 -4.982 4 HB3 SER 433 HB1 SER 433 -1.247 6.643 -5.001 5 HG SER 433 HG SER 433 -1.796 5.629 -3.250 6 H GLU 434 HN GLU 434 -1.000 9.182 -1.653 7 HA GLU 434 HA GLU 434 1.868 8.903 -1.676 8 HB2 GLU 434 HB2 GLU 434 1.762 9.433 0.715 9 HB3 GLU 434 HB1 GLU 434 0.836 10.589 -0.230 10 HG2 GLU 434 HG2 GLU 434 -0.543 8.244 1.003 11 HG3 GLU 434 HG1 GLU 434 -0.121 9.638 1.995 12 H TRP 435 HN TRP 435 -0.848 6.910 -1.067 13 HA TRP 435 HA TRP 435 0.758 4.821 0.174 14 HB2 TRP 435 HB2 TRP 435 -2.132 4.675 -0.745 15 HB3 TRP 435 HB1 TRP 435 -1.310 3.560 0.346 16 HD1 TRP 435 HD1 TRP 435 -3.268 6.768 0.303 17 HE1 TRP 435 HE1 TRP 435 -3.479 7.706 2.692 18 HE3 TRP 435 HE3 TRP 435 0.043 3.687 2.687 19 HZ2 TRP 435 HZ2 TRP 435 -2.356 7.228 5.238 20 HZ3 TRP 435 HZ3 TRP 435 0.434 4.017 5.095 21 HH2 TRP 435 HH2 TRP 435 -0.731 5.757 6.338 22 H THR 436 HN THR 436 2.032 3.654 -1.146 23 HA THR 436 HA THR 436 1.390 3.557 -3.985 24 HB THR 436 HB THR 436 3.827 2.621 -2.461 25 HG1 THR 436 HG1 THR 436 3.196 4.982 -3.183 26 HG21 THR 436 HG21 THR 436 3.438 1.131 -4.379 27 HG22 THR 436 HG22 THR 436 4.851 2.155 -4.651 28 HG23 THR 436 HG23 THR 436 3.326 2.533 -5.447 29 H GLU 437 HN GLU 437 -0.159 2.093 -4.383 30 HA GLU 437 HA GLU 437 0.183 -0.605 -3.381 31 HB2 GLU 437 HB2 GLU 437 -1.853 -1.087 -4.811 32 HB3 GLU 437 HB1 GLU 437 -2.107 0.023 -3.476 33 HG2 GLU 437 HG2 GLU 437 -2.072 1.907 -4.985 34 HG3 GLU 437 HG1 GLU 437 -1.681 0.849 -6.342 35 H ARG 438 HN ARG 438 2.095 -1.181 -4.269 36 HA ARG 438 HA ARG 438 2.346 -1.130 -7.170 37 HB2 ARG 438 HB2 ARG 438 4.290 -0.458 -5.799 38 HB3 ARG 438 HB1 ARG 438 4.304 -2.049 -5.053 39 HG2 ARG 438 HG2 ARG 438 4.882 -3.089 -7.127 40 HG3 ARG 438 HG1 ARG 438 4.674 -1.568 -7.998 41 HD2 ARG 438 HD2 ARG 438 6.702 -2.022 -5.816 42 HD3 ARG 438 HD1 ARG 438 7.046 -2.154 -7.540 43 HE ARG 438 HE ARG 438 6.192 0.286 -7.564 44 HH11 ARG 438 HH11 ARG 438 7.932 -1.197 -4.909 45 HH12 ARG 438 HH12 ARG 438 8.747 0.267 -4.443 46 HH21 ARG 438 HH21 ARG 438 7.259 2.231 -6.961 47 HH22 ARG 438 HH22 ARG 438 8.360 2.218 -5.606 48 H LYS 439 HN LYS 439 1.679 -2.791 -8.319 49 HA LYS 439 HA LYS 439 0.953 -5.201 -6.889 50 HB2 LYS 439 HB2 LYS 439 -0.345 -5.832 -8.813 51 HB3 LYS 439 HB1 LYS 439 -0.710 -4.168 -8.400 52 HG2 LYS 439 HG2 LYS 439 1.165 -4.980 -10.612 53 HG3 LYS 439 HG1 LYS 439 -0.549 -4.647 -10.839 54 HD2 LYS 439 HD2 LYS 439 -0.147 -2.365 -9.895 55 HD3 LYS 439 HD1 LYS 439 1.580 -2.725 -9.914 56 HE2 LYS 439 HE2 LYS 439 1.017 -1.489 -11.904 57 HE3 LYS 439 HE1 LYS 439 1.422 -3.148 -12.352 58 HZ1 LYS 439 HZ1 LYS 439 -1.313 -2.006 -12.094 59 HZ2 LYS 439 HZ2 LYS 439 -0.976 -3.635 -12.428 60 HZ3 LYS 439 HZ3 LYS 439 -0.531 -2.433 -13.540 61 H THR 440 HN THR 440 2.443 -6.603 -6.621 62 HA THR 440 HA THR 440 4.528 -7.018 -8.588 63 HB THR 440 HB THR 440 5.419 -8.656 -6.954 64 HG1 THR 440 HG1 THR 440 3.354 -7.821 -5.186 65 HG21 THR 440 HG21 THR 440 4.657 -5.997 -5.756 66 HG22 THR 440 HG22 THR 440 6.066 -6.312 -6.769 67 HG23 THR 440 HG23 THR 440 5.943 -7.055 -5.174 68 H ALA 441 HN ALA 441 4.930 -8.976 -9.647 69 HA ALA 441 HA ALA 441 2.624 -10.184 -10.726 70 HB1 ALA 441 HB1 ALA 441 4.701 -9.888 -11.994 71 HB2 ALA 441 HB2 ALA 441 4.158 -11.565 -12.006 72 HB3 ALA 441 HB3 ALA 441 5.493 -11.078 -10.961 73 H ASP 442 HN ASP 442 4.365 -10.854 -7.900 74 HA ASP 442 HA ASP 442 3.784 -13.662 -7.770 75 HB2 ASP 442 HB2 ASP 442 5.666 -12.459 -6.542 76 HB3 ASP 442 HB1 ASP 442 4.433 -11.857 -5.440 77 H GLY 443 HN GLY 443 1.886 -10.983 -7.626 78 HA2 GLY 443 HA2 GLY 443 -0.445 -11.040 -7.394 79 HA3 GLY 443 HA1 GLY 443 -0.295 -12.528 -6.471 80 H LYS 444 HN LYS 444 1.528 -9.592 -5.837 81 HA LYS 444 HA LYS 444 -0.031 -9.281 -3.364 82 HB2 LYS 444 HB2 LYS 444 2.972 -9.035 -3.603 83 HB3 LYS 444 HB1 LYS 444 2.027 -8.740 -2.149 84 HG2 LYS 444 HG2 LYS 444 1.285 -11.099 -2.208 85 HG3 LYS 444 HG1 LYS 444 2.371 -11.369 -3.576 86 HD2 LYS 444 HD2 LYS 444 4.274 -10.704 -2.179 87 HD3 LYS 444 HD1 LYS 444 3.179 -10.448 -0.817 88 HE2 LYS 444 HE2 LYS 444 3.804 -13.050 -2.207 89 HE3 LYS 444 HE1 LYS 444 4.193 -12.594 -0.547 90 HZ1 LYS 444 HZ1 LYS 444 2.303 -14.000 -0.478 91 HZ2 LYS 444 HZ2 LYS 444 1.509 -13.127 -1.693 92 HZ3 LYS 444 HZ3 LYS 444 1.741 -12.430 -0.162 93 H THR 445 HN THR 445 -1.102 -7.443 -3.608 94 HA THR 445 HA THR 445 0.226 -5.074 -4.663 95 HB THR 445 HB THR 445 -2.023 -4.009 -3.854 96 HG1 THR 445 HG1 THR 445 -2.716 -5.849 -2.670 97 HG21 THR 445 HG21 THR 445 -3.087 -4.537 -5.938 98 HG22 THR 445 HG22 THR 445 -2.074 -5.970 -6.145 99 HG23 THR 445 HG23 THR 445 -1.353 -4.360 -6.213 100 H TYR 446 HN TYR 446 1.824 -4.614 -3.155 101 HA TYR 446 HA TYR 446 0.968 -4.336 -0.376 102 HB2 TYR 446 HB2 TYR 446 3.261 -4.284 0.254 103 HB3 TYR 446 HB1 TYR 446 3.052 -5.609 -0.871 104 HD1 TYR 446 HD1 TYR 446 3.693 -5.072 -3.375 105 HD2 TYR 446 HD2 TYR 446 4.999 -2.808 -0.018 106 HE1 TYR 446 HE1 TYR 446 5.594 -4.220 -4.685 107 HE2 TYR 446 HE2 TYR 446 6.897 -1.953 -1.322 108 HH TYR 446 HH TYR 446 8.244 -2.727 -3.316 109 H TYR 447 HN TYR 447 0.632 -2.462 0.552 110 HA TYR 447 HA TYR 447 1.179 -0.058 -0.997 111 HB2 TYR 447 HB2 TYR 447 -0.443 -0.529 1.508 112 HB3 TYR 447 HB1 TYR 447 -0.171 1.063 0.816 113 HD1 TYR 447 HD2 TYR 447 -1.308 -2.302 -0.433 114 HD2 TYR 447 HD1 TYR 447 -1.930 1.910 -0.374 115 HE1 TYR 447 HE2 TYR 447 -3.286 -2.581 -1.877 116 HE2 TYR 447 HE1 TYR 447 -3.908 1.639 -1.804 117 HH TYR 447 HH TYR 447 -4.772 0.005 -3.455 118 H TYR 448 HN TYR 448 3.485 -0.040 -0.689 119 HA TYR 448 HA TYR 448 4.376 0.624 1.996 120 HB2 TYR 448 HB2 TYR 448 6.027 -0.553 0.782 121 HB3 TYR 448 HB1 TYR 448 5.791 0.430 -0.660 122 HD1 TYR 448 HD1 TYR 448 6.578 1.189 2.941 123 HD2 TYR 448 HD2 TYR 448 7.624 1.704 -1.153 124 HE1 TYR 448 HE1 TYR 448 8.446 2.666 3.611 125 HE2 TYR 448 HE2 TYR 448 9.486 3.164 -0.503 126 HH TYR 448 HH TYR 448 10.058 4.661 1.494 127 H ASN 449 HN ASN 449 4.375 2.546 2.823 128 HA ASN 449 HA ASN 449 3.923 4.851 1.056 129 HB2 ASN 449 HB2 ASN 449 1.802 4.499 1.860 130 HB3 ASN 449 HB1 ASN 449 2.372 3.854 3.397 131 HD21 ASN 449 HD21 ASN 449 1.776 6.746 1.541 132 HD22 ASN 449 HD22 ASN 449 1.736 7.820 2.899 133 H ASN 450 HN ASN 450 4.504 6.878 1.871 134 HA ASN 450 HA ASN 450 6.937 6.709 3.469 135 HB2 ASN 450 HB2 ASN 450 7.403 8.953 2.402 136 HB3 ASN 450 HB1 ASN 450 7.308 7.592 1.290 137 HD21 ASN 450 HD21 ASN 450 6.739 8.734 -0.504 138 HD22 ASN 450 HD22 ASN 450 5.228 9.569 -0.679 139 H ARG 451 HN ARG 451 3.769 7.518 3.917 140 HA ARG 451 HA ARG 451 4.058 9.847 5.526 141 HB2 ARG 451 HB2 ARG 451 1.836 7.863 5.251 142 HB3 ARG 451 HB1 ARG 451 1.781 9.130 6.469 143 HG2 ARG 451 HG2 ARG 451 1.962 10.823 4.720 144 HG3 ARG 451 HG1 ARG 451 2.032 9.555 3.498 145 HD2 ARG 451 HD2 ARG 451 -0.207 10.506 3.645 146 HD3 ARG 451 HD1 ARG 451 -0.209 8.813 4.131 147 HE ARG 451 HE ARG 451 0.057 10.660 6.334 148 HH11 ARG 451 HH11 ARG 451 -2.229 9.106 4.191 149 HH12 ARG 451 HH12 ARG 451 -3.514 9.062 5.358 150 HH21 ARG 451 HH21 ARG 451 -1.649 10.653 7.879 151 HH22 ARG 451 HH22 ARG 451 -3.185 9.953 7.449 152 H THR 452 HN THR 452 3.782 6.409 6.307 153 HA THR 452 HA THR 452 4.940 7.066 8.930 154 HB THR 452 HB THR 452 3.864 4.888 9.683 155 HG1 THR 452 HG1 THR 452 2.371 3.974 8.412 156 HG21 THR 452 HG21 THR 452 2.072 7.183 8.876 157 HG22 THR 452 HG22 THR 452 3.017 7.075 10.361 158 HG23 THR 452 HG23 THR 452 1.688 5.952 10.078 159 H LEU 453 HN LEU 453 5.776 5.803 6.035 160 HA LEU 453 HA LEU 453 7.378 4.393 5.250 161 HB2 LEU 453 HB2 LEU 453 8.325 4.965 8.010 162 HB3 LEU 453 HB1 LEU 453 9.064 3.617 7.170 163 HG LEU 453 HG LEU 453 10.258 5.859 7.005 164 HD11 LEU 453 HD11 LEU 453 10.501 3.825 5.473 165 HD12 LEU 453 HD12 LEU 453 11.048 5.383 4.849 166 HD13 LEU 453 HD13 LEU 453 9.498 4.723 4.333 167 HD21 LEU 453 HD21 LEU 453 9.451 7.439 5.378 168 HD22 LEU 453 HD22 LEU 453 8.194 7.191 6.593 169 HD23 LEU 453 HD23 LEU 453 8.067 6.407 5.013 170 H GLU 454 HN GLU 454 4.954 3.325 5.900 171 HA GLU 454 HA GLU 454 5.636 0.677 7.004 172 HB2 GLU 454 HB2 GLU 454 3.046 2.215 7.205 173 HB3 GLU 454 HB1 GLU 454 3.206 0.515 7.620 174 HG2 GLU 454 HG2 GLU 454 4.884 1.130 9.326 175 HG3 GLU 454 HG1 GLU 454 4.588 2.832 8.950 176 H SER 455 HN SER 455 4.780 -1.113 5.987 177 HA SER 455 HA SER 455 3.452 -0.593 3.428 178 HB2 SER 455 HB2 SER 455 4.231 -2.970 2.881 179 HB3 SER 455 HB1 SER 455 5.473 -1.722 2.951 180 HG SER 455 HG SER 455 6.351 -2.687 4.600 181 H THR 456 HN THR 456 1.386 -0.915 3.467 182 HA THR 456 HA THR 456 0.219 -2.765 5.420 183 HB THR 456 HB THR 456 -1.933 -1.611 4.857 184 HG1 THR 456 HG1 THR 456 -1.188 -0.846 2.767 185 HG21 THR 456 HG21 THR 456 -1.352 0.545 5.980 186 HG22 THR 456 HG22 THR 456 0.349 0.102 5.841 187 HG23 THR 456 HG23 THR 456 -0.742 -0.882 6.817 188 H TRP 457 HN TRP 457 -0.298 -4.686 4.709 189 HA TRP 457 HA TRP 457 -0.451 -5.104 1.827 190 HB2 TRP 457 HB2 TRP 457 -0.008 -7.059 4.109 191 HB3 TRP 457 HB1 TRP 457 -0.017 -7.496 2.394 192 HD1 TRP 457 HD1 TRP 457 1.846 -4.976 4.677 193 HE1 TRP 457 HE1 TRP 457 4.230 -4.648 3.784 194 HE3 TRP 457 HE3 TRP 457 1.646 -8.149 0.667 195 HZ2 TRP 457 HZ2 TRP 457 5.802 -5.567 1.656 196 HZ3 TRP 457 HZ3 TRP 457 3.661 -8.392 -0.729 197 HH2 TRP 457 HH2 TRP 457 5.703 -7.144 -0.233 198 H GLU 458 HN GLU 458 -2.490 -4.331 4.107 199 HA GLU 458 HA GLU 458 -4.715 -5.489 2.569 200 HB2 GLU 458 HB2 GLU 458 -6.166 -4.962 4.511 201 HB3 GLU 458 HB1 GLU 458 -4.923 -6.135 4.914 202 HG2 GLU 458 HG2 GLU 458 -3.668 -4.532 6.118 203 HG3 GLU 458 HG1 GLU 458 -4.646 -3.203 5.498 204 H LYS 459 HN LYS 459 -6.315 -3.931 1.870 205 HA LYS 459 HA LYS 459 -5.159 -1.452 1.101 206 HB2 LYS 459 HB2 LYS 459 -7.978 -2.496 0.923 207 HB3 LYS 459 HB1 LYS 459 -7.515 -0.908 0.328 208 HG2 LYS 459 HG2 LYS 459 -5.860 -2.018 -1.155 209 HG3 LYS 459 HG1 LYS 459 -6.504 -3.574 -0.632 210 HD2 LYS 459 HD2 LYS 459 -7.495 -2.945 -2.749 211 HD3 LYS 459 HD1 LYS 459 -8.725 -2.913 -1.487 212 HE2 LYS 459 HE2 LYS 459 -7.246 -0.421 -2.266 213 HE3 LYS 459 HE1 LYS 459 -8.629 -0.979 -3.203 214 HZ1 LYS 459 HZ1 LYS 459 -9.987 -0.866 -1.214 215 HZ2 LYS 459 HZ2 LYS 459 -9.283 0.644 -1.529 216 HZ3 LYS 459 HZ3 LYS 459 -8.663 -0.342 -0.302 217 HA PRO 460 HA PRO 460 -6.243 0.763 4.883 218 HB2 PRO 460 HB2 PRO 460 -5.035 3.063 3.539 219 HB3 PRO 460 HB1 PRO 460 -4.542 2.255 5.029 220 HG2 PRO 460 HG2 PRO 460 -3.121 2.110 2.723 221 HG3 PRO 460 HG1 PRO 460 -3.132 0.826 3.944 222 HD2 PRO 460 HD2 PRO 460 -4.569 0.974 1.329 223 HD3 PRO 460 HD1 PRO 460 -3.834 -0.423 2.143 224 H GLN 461 HN GLN 461 -8.333 1.282 5.005 225 HA GLN 461 HA GLN 461 -9.669 2.473 2.748 226 HB2 GLN 461 HB2 GLN 461 -11.712 2.270 4.101 227 HB3 GLN 461 HB1 GLN 461 -10.826 0.758 3.996 228 HG2 GLN 461 HG2 GLN 461 -9.888 1.193 6.232 229 HG3 GLN 461 HG1 GLN 461 -10.884 2.643 6.338 230 HE21 GLN 461 HE21 GLN 461 -12.041 1.875 8.112 231 HE22 GLN 461 HE22 GLN 461 -13.216 0.612 7.958 232 H GLU 462 HN GLU 462 -7.835 3.790 5.156 233 HA GLU 462 HA GLU 462 -9.303 6.190 5.599 234 HB2 GLU 462 HB2 GLU 462 -7.317 7.100 6.539 235 HB3 GLU 462 HB1 GLU 462 -7.324 5.401 6.980 236 HG2 GLU 462 HG2 GLU 462 -5.190 5.478 6.316 237 HG3 GLU 462 HG1 GLU 462 -5.878 5.310 4.701 238 H LEU 463 HN LEU 463 -7.332 4.917 3.083 239 HA LEU 463 HA LEU 463 -7.483 7.347 1.496 240 HB2 LEU 463 HB2 LEU 463 -5.508 5.864 1.318 241 HB3 LEU 463 HB1 LEU 463 -6.545 4.555 0.785 242 HG LEU 463 HG LEU 463 -7.164 6.015 -1.195 243 HD11 LEU 463 HD11 LEU 463 -6.435 8.147 -0.272 244 HD12 LEU 463 HD12 LEU 463 -5.609 7.793 -1.788 245 HD13 LEU 463 HD13 LEU 463 -4.766 7.578 -0.254 246 HD21 LEU 463 HD21 LEU 463 -5.079 5.476 -2.404 247 HD22 LEU 463 HD22 LEU 463 -5.678 4.131 -1.434 248 HD23 LEU 463 HD23 LEU 463 -4.316 5.090 -0.863 249 H LYS 464 HN LYS 464 -8.298 3.994 0.724 250 HA LYS 464 HA LYS 464 -11.036 4.118 0.747 251 HB2 LYS 464 HB2 LYS 464 -10.619 5.842 -1.117 252 HB3 LYS 464 HB1 LYS 464 -10.131 4.472 -2.108 253 HG2 LYS 464 HG2 LYS 464 -12.500 5.160 -2.416 254 HG3 LYS 464 HG1 LYS 464 -12.302 3.476 -1.915 255 HD2 LYS 464 HD2 LYS 464 -12.732 4.154 0.418 256 HD3 LYS 464 HD1 LYS 464 -12.997 5.807 -0.129 257 HE2 LYS 464 HE2 LYS 464 -14.923 5.140 -1.394 258 HE3 LYS 464 HE1 LYS 464 -14.607 3.437 -1.062 259 HZ1 LYS 464 HZ1 LYS 464 -15.208 5.462 1.026 260 HZ2 LYS 464 HZ2 LYS 464 -15.066 3.787 1.246 261 HZ3 LYS 464 HZ3 LYS 464 -16.363 4.417 0.351 Start of MODEL 10 1 H SER 433 HT1 SER 433 1.015 10.874 -5.119 2 HA SER 433 HA SER 433 -0.310 9.559 -3.592 3 HB2 SER 433 HB2 SER 433 1.904 7.960 -4.904 4 HB3 SER 433 HB1 SER 433 0.277 7.391 -4.531 5 HG SER 433 HG SER 433 0.293 7.967 -6.672 6 H GLU 434 HN GLU 434 -0.392 9.160 -1.482 7 HA GLU 434 HA GLU 434 2.091 8.709 -0.031 8 HB2 GLU 434 HB2 GLU 434 0.734 8.977 1.992 9 HB3 GLU 434 HB1 GLU 434 0.534 10.329 0.891 10 HG2 GLU 434 HG2 GLU 434 -1.413 8.059 0.880 11 HG3 GLU 434 HG1 GLU 434 -1.525 9.339 2.083 12 H TRP 435 HN TRP 435 -0.291 6.856 -1.466 13 HA TRP 435 HA TRP 435 0.518 4.510 0.126 14 HB2 TRP 435 HB2 TRP 435 -2.050 4.663 -1.470 15 HB3 TRP 435 HB1 TRP 435 -1.609 3.495 -0.229 16 HD1 TRP 435 HD1 TRP 435 -3.528 6.606 -0.712 17 HE1 TRP 435 HE1 TRP 435 -4.175 7.651 1.556 18 HE3 TRP 435 HE3 TRP 435 -0.645 3.735 2.365 19 HZ2 TRP 435 HZ2 TRP 435 -3.549 7.309 4.279 20 HZ3 TRP 435 HZ3 TRP 435 -0.728 4.147 4.784 21 HH2 TRP 435 HH2 TRP 435 -2.126 5.916 5.721 22 H THR 436 HN THR 436 1.887 3.288 -1.016 23 HA THR 436 HA THR 436 1.851 3.437 -3.919 24 HB THR 436 HB THR 436 3.702 1.970 -2.025 25 HG1 THR 436 HG1 THR 436 4.227 4.109 -2.015 26 HG21 THR 436 HG21 THR 436 3.519 0.680 -4.087 27 HG22 THR 436 HG22 THR 436 5.085 1.493 -4.026 28 HG23 THR 436 HG23 THR 436 3.800 2.134 -5.049 29 H GLU 437 HN GLU 437 0.020 2.391 -4.552 30 HA GLU 437 HA GLU 437 -0.359 -0.380 -3.759 31 HB2 GLU 437 HB2 GLU 437 -2.364 1.017 -4.026 32 HB3 GLU 437 HB1 GLU 437 -1.925 1.345 -5.697 33 HG2 GLU 437 HG2 GLU 437 -2.141 -1.075 -6.182 34 HG3 GLU 437 HG1 GLU 437 -2.702 -1.321 -4.529 35 H ARG 438 HN ARG 438 1.458 -1.359 -4.586 36 HA ARG 438 HA ARG 438 1.612 -1.383 -7.525 37 HB2 ARG 438 HB2 ARG 438 3.648 -0.439 -6.566 38 HB3 ARG 438 HB1 ARG 438 3.834 -1.845 -5.524 39 HG2 ARG 438 HG2 ARG 438 4.140 -3.264 -7.499 40 HG3 ARG 438 HG1 ARG 438 3.975 -1.845 -8.535 41 HD2 ARG 438 HD2 ARG 438 5.972 -0.893 -7.693 42 HD3 ARG 438 HD1 ARG 438 6.061 -2.069 -6.383 43 HE ARG 438 HE ARG 438 6.381 -2.833 -9.222 44 HH11 ARG 438 HH11 ARG 438 7.437 -2.853 -5.886 45 HH12 ARG 438 HH12 ARG 438 8.707 -4.020 -6.148 46 HH21 ARG 438 HH21 ARG 438 8.051 -4.379 -9.588 47 HH22 ARG 438 HH22 ARG 438 9.039 -4.894 -8.253 48 H LYS 439 HN LYS 439 1.039 -3.187 -8.432 49 HA LYS 439 HA LYS 439 0.728 -5.565 -6.804 50 HB2 LYS 439 HB2 LYS 439 -0.488 -6.511 -8.710 51 HB3 LYS 439 HB1 LYS 439 -1.147 -4.950 -8.257 52 HG2 LYS 439 HG2 LYS 439 0.809 -5.279 -10.513 53 HG3 LYS 439 HG1 LYS 439 -0.935 -5.429 -10.730 54 HD2 LYS 439 HD2 LYS 439 -1.279 -3.170 -10.016 55 HD3 LYS 439 HD1 LYS 439 0.418 -3.006 -9.553 56 HE2 LYS 439 HE2 LYS 439 1.068 -3.300 -11.903 57 HE3 LYS 439 HE1 LYS 439 -0.634 -3.428 -12.351 58 HZ1 LYS 439 HZ1 LYS 439 0.371 -1.185 -12.678 59 HZ2 LYS 439 HZ2 LYS 439 0.521 -1.057 -10.991 60 HZ3 LYS 439 HZ3 LYS 439 -1.013 -1.200 -11.698 61 H THR 440 HN THR 440 2.302 -6.920 -6.631 62 HA THR 440 HA THR 440 4.394 -7.065 -8.639 63 HB THR 440 HB THR 440 5.405 -8.743 -7.063 64 HG1 THR 440 HG1 THR 440 3.378 -7.888 -5.255 65 HG21 THR 440 HG21 THR 440 6.026 -6.373 -6.984 66 HG22 THR 440 HG22 THR 440 6.037 -7.091 -5.373 67 HG23 THR 440 HG23 THR 440 4.696 -6.059 -5.870 68 H ALA 441 HN ALA 441 5.004 -9.037 -9.677 69 HA ALA 441 HA ALA 441 2.765 -10.278 -10.887 70 HB1 ALA 441 HB1 ALA 441 5.669 -11.064 -11.078 71 HB2 ALA 441 HB2 ALA 441 4.877 -9.827 -12.055 72 HB3 ALA 441 HB3 ALA 441 4.382 -11.514 -12.197 73 H ASP 442 HN ASP 442 4.052 -10.933 -7.934 74 HA ASP 442 HA ASP 442 3.673 -13.814 -8.017 75 HB2 ASP 442 HB2 ASP 442 5.461 -12.684 -6.621 76 HB3 ASP 442 HB1 ASP 442 4.168 -12.076 -5.592 77 H GLY 443 HN GLY 443 1.740 -11.157 -7.872 78 HA2 GLY 443 HA2 GLY 443 -0.597 -11.194 -7.669 79 HA3 GLY 443 HA1 GLY 443 -0.476 -12.723 -6.809 80 H LYS 444 HN LYS 444 1.441 -9.914 -5.995 81 HA LYS 444 HA LYS 444 -0.116 -9.675 -3.498 82 HB2 LYS 444 HB2 LYS 444 2.847 -9.187 -3.853 83 HB3 LYS 444 HB1 LYS 444 1.949 -9.013 -2.354 84 HG2 LYS 444 HG2 LYS 444 1.456 -11.443 -2.433 85 HG3 LYS 444 HG1 LYS 444 2.503 -11.562 -3.852 86 HD2 LYS 444 HD2 LYS 444 4.337 -10.559 -2.466 87 HD3 LYS 444 HD1 LYS 444 3.279 -10.710 -1.064 88 HE2 LYS 444 HE2 LYS 444 4.309 -12.949 -2.800 89 HE3 LYS 444 HE1 LYS 444 4.819 -12.576 -1.156 90 HZ1 LYS 444 HZ1 LYS 444 2.483 -13.019 -0.464 91 HZ2 LYS 444 HZ2 LYS 444 3.308 -14.376 -1.058 92 HZ3 LYS 444 HZ3 LYS 444 2.171 -13.586 -2.036 93 H THR 445 HN THR 445 -1.262 -7.834 -3.576 94 HA THR 445 HA THR 445 -0.088 -5.433 -4.734 95 HB THR 445 HB THR 445 -2.239 -4.381 -3.762 96 HG1 THR 445 HG1 THR 445 -2.683 -6.251 -2.420 97 HG21 THR 445 HG21 THR 445 -3.575 -5.123 -5.669 98 HG22 THR 445 HG22 THR 445 -2.462 -6.467 -5.941 99 HG23 THR 445 HG23 THR 445 -1.909 -4.806 -6.154 100 H TYR 446 HN TYR 446 1.631 -4.921 -3.393 101 HA TYR 446 HA TYR 446 1.088 -4.717 -0.547 102 HB2 TYR 446 HB2 TYR 446 3.388 -4.318 -0.202 103 HB3 TYR 446 HB1 TYR 446 3.270 -5.626 -1.352 104 HD1 TYR 446 HD1 TYR 446 3.843 -5.178 -3.769 105 HD2 TYR 446 HD2 TYR 446 4.496 -2.311 -0.694 106 HE1 TYR 446 HE1 TYR 446 5.443 -3.990 -5.214 107 HE2 TYR 446 HE2 TYR 446 6.090 -1.115 -2.129 108 HH TYR 446 HH TYR 446 7.517 -1.523 -4.028 109 H TYR 447 HN TYR 447 0.952 -2.884 0.571 110 HA TYR 447 HA TYR 447 1.056 -0.417 -0.997 111 HB2 TYR 447 HB2 TYR 447 -0.510 -1.051 1.511 112 HB3 TYR 447 HB1 TYR 447 -0.385 0.554 0.807 113 HD1 TYR 447 HD2 TYR 447 -1.431 -2.930 -0.110 114 HD2 TYR 447 HD1 TYR 447 -1.988 1.251 -0.701 115 HE1 TYR 447 HE2 TYR 447 -3.392 -3.398 -1.510 116 HE2 TYR 447 HE1 TYR 447 -3.955 0.792 -2.104 117 HH TYR 447 HH TYR 447 -4.840 -1.108 -3.499 118 H TYR 448 HN TYR 448 3.195 0.072 -0.767 119 HA TYR 448 HA TYR 448 4.258 0.468 1.893 120 HB2 TYR 448 HB2 TYR 448 5.900 -0.146 0.311 121 HB3 TYR 448 HB1 TYR 448 5.284 0.974 -0.895 122 HD1 TYR 448 HD1 TYR 448 6.492 1.329 2.648 123 HD2 TYR 448 HD2 TYR 448 6.791 2.615 -1.398 124 HE1 TYR 448 HE1 TYR 448 8.196 2.985 3.304 125 HE2 TYR 448 HE2 TYR 448 8.491 4.266 -0.757 126 HH TYR 448 HH TYR 448 10.090 4.208 2.183 127 H ASN 449 HN ASN 449 3.695 2.070 3.060 128 HA ASN 449 HA ASN 449 2.292 4.351 1.946 129 HB2 ASN 449 HB2 ASN 449 1.080 3.544 3.714 130 HB3 ASN 449 HB1 ASN 449 2.511 3.013 4.593 131 HD21 ASN 449 HD21 ASN 449 0.576 5.775 3.715 132 HD22 ASN 449 HD22 ASN 449 1.023 6.750 5.065 133 H ASN 450 HN ASN 450 2.974 6.383 1.939 134 HA ASN 450 HA ASN 450 5.714 6.893 2.839 135 HB2 ASN 450 HB2 ASN 450 4.720 7.358 0.440 136 HB3 ASN 450 HB1 ASN 450 4.120 8.827 1.196 137 HD21 ASN 450 HD21 ASN 450 6.399 9.201 2.949 138 HD22 ASN 450 HD22 ASN 450 7.719 9.683 1.936 139 H ARG 451 HN ARG 451 2.578 7.342 3.938 140 HA ARG 451 HA ARG 451 2.751 9.940 5.038 141 HB2 ARG 451 HB2 ARG 451 1.070 7.582 5.809 142 HB3 ARG 451 HB1 ARG 451 0.991 9.116 6.666 143 HG2 ARG 451 HG2 ARG 451 0.443 8.726 3.730 144 HG3 ARG 451 HG1 ARG 451 -0.777 8.907 4.993 145 HD2 ARG 451 HD2 ARG 451 0.027 11.130 5.502 146 HD3 ARG 451 HD1 ARG 451 1.339 10.954 4.338 147 HE ARG 451 HE ARG 451 -1.260 10.616 3.174 148 HH11 ARG 451 HH11 ARG 451 1.177 12.949 4.116 149 HH12 ARG 451 HH12 ARG 451 0.609 14.169 3.011 150 HH21 ARG 451 HH21 ARG 451 -1.940 12.165 1.648 151 HH22 ARG 451 HH22 ARG 451 -1.134 13.709 1.576 152 H THR 452 HN THR 452 3.262 6.752 6.509 153 HA THR 452 HA THR 452 4.860 8.074 8.605 154 HB THR 452 HB THR 452 3.589 5.426 9.115 155 HG1 THR 452 HG1 THR 452 1.644 6.207 8.923 156 HG21 THR 452 HG21 THR 452 3.429 6.323 11.382 157 HG22 THR 452 HG22 THR 452 4.033 7.881 10.816 158 HG23 THR 452 HG23 THR 452 5.078 6.461 10.769 159 H LEU 453 HN LEU 453 5.160 6.256 5.914 160 HA LEU 453 HA LEU 453 6.791 4.922 5.040 161 HB2 LEU 453 HB2 LEU 453 8.052 5.732 7.615 162 HB3 LEU 453 HB1 LEU 453 8.720 4.333 6.802 163 HG LEU 453 HG LEU 453 9.767 6.673 6.370 164 HD11 LEU 453 HD11 LEU 453 10.098 4.442 5.117 165 HD12 LEU 453 HD12 LEU 453 10.577 5.940 4.321 166 HD13 LEU 453 HD13 LEU 453 9.059 5.161 3.885 167 HD21 LEU 453 HD21 LEU 453 8.784 7.919 4.551 168 HD22 LEU 453 HD22 LEU 453 7.612 7.781 5.864 169 HD23 LEU 453 HD23 LEU 453 7.461 6.759 4.432 170 H GLU 454 HN GLU 454 4.492 3.867 5.992 171 HA GLU 454 HA GLU 454 5.181 1.524 7.633 172 HB2 GLU 454 HB2 GLU 454 2.478 2.649 6.859 173 HB3 GLU 454 HB1 GLU 454 2.743 1.276 7.923 174 HG2 GLU 454 HG2 GLU 454 3.891 2.729 9.510 175 HG3 GLU 454 HG1 GLU 454 3.618 4.104 8.443 176 H SER 455 HN SER 455 5.409 -0.407 6.682 177 HA SER 455 HA SER 455 4.435 -0.753 3.952 178 HB2 SER 455 HB2 SER 455 6.749 -1.468 4.533 179 HB3 SER 455 HB1 SER 455 6.080 -2.635 5.671 180 HG SER 455 HG SER 455 6.274 -2.743 2.935 181 H THR 456 HN THR 456 2.405 -1.451 3.700 182 HA THR 456 HA THR 456 1.374 -3.397 5.630 183 HB THR 456 HB THR 456 0.484 -1.259 6.381 184 HG1 THR 456 HG1 THR 456 -0.891 -3.265 6.197 185 HG21 THR 456 HG21 THR 456 -0.907 0.155 5.011 186 HG22 THR 456 HG22 THR 456 -0.776 -0.967 3.656 187 HG23 THR 456 HG23 THR 456 0.644 -0.073 4.199 188 H TRP 457 HN TRP 457 0.240 -5.005 4.756 189 HA TRP 457 HA TRP 457 0.087 -4.946 1.824 190 HB2 TRP 457 HB2 TRP 457 0.805 -7.201 3.724 191 HB3 TRP 457 HB1 TRP 457 0.569 -7.420 1.983 192 HD1 TRP 457 HD1 TRP 457 2.599 -4.922 4.159 193 HE1 TRP 457 HE1 TRP 457 4.868 -4.505 3.046 194 HE3 TRP 457 HE3 TRP 457 2.149 -8.134 0.194 195 HZ2 TRP 457 HZ2 TRP 457 6.266 -5.369 0.793 196 HZ3 TRP 457 HZ3 TRP 457 4.040 -8.307 -1.378 197 HH2 TRP 457 HH2 TRP 457 6.066 -6.973 -1.075 198 H GLU 458 HN GLU 458 -1.781 -4.310 4.053 199 HA GLU 458 HA GLU 458 -4.101 -5.824 3.051 200 HB2 GLU 458 HB2 GLU 458 -3.873 -4.125 5.556 201 HB3 GLU 458 HB1 GLU 458 -5.286 -5.034 5.055 202 HG2 GLU 458 HG2 GLU 458 -4.258 -6.247 6.799 203 HG3 GLU 458 HG1 GLU 458 -3.926 -7.117 5.302 204 H LYS 459 HN LYS 459 -5.863 -4.554 2.253 205 HA LYS 459 HA LYS 459 -5.026 -2.143 0.982 206 HB2 LYS 459 HB2 LYS 459 -7.801 -3.311 1.209 207 HB3 LYS 459 HB1 LYS 459 -7.310 -2.038 0.102 208 HG2 LYS 459 HG2 LYS 459 -5.730 -3.621 -0.953 209 HG3 LYS 459 HG1 LYS 459 -6.354 -4.890 0.100 210 HD2 LYS 459 HD2 LYS 459 -7.676 -5.262 -1.711 211 HD3 LYS 459 HD1 LYS 459 -8.666 -4.047 -0.904 212 HE2 LYS 459 HE2 LYS 459 -6.697 -3.546 -3.136 213 HE3 LYS 459 HE1 LYS 459 -8.450 -3.577 -3.289 214 HZ1 LYS 459 HZ1 LYS 459 -7.787 -1.327 -3.181 215 HZ2 LYS 459 HZ2 LYS 459 -6.799 -1.594 -1.839 216 HZ3 LYS 459 HZ3 LYS 459 -8.484 -1.677 -1.674 217 HA PRO 460 HA PRO 460 -5.913 0.521 4.519 218 HB2 PRO 460 HB2 PRO 460 -5.322 2.612 2.510 219 HB3 PRO 460 HB1 PRO 460 -4.596 2.337 4.095 220 HG2 PRO 460 HG2 PRO 460 -3.265 1.777 1.850 221 HG3 PRO 460 HG1 PRO 460 -3.114 0.757 3.293 222 HD2 PRO 460 HD2 PRO 460 -4.690 0.287 0.792 223 HD3 PRO 460 HD1 PRO 460 -3.748 -0.859 1.772 224 H GLN 461 HN GLN 461 -7.821 1.254 5.121 225 HA GLN 461 HA GLN 461 -9.918 1.704 3.182 226 HB2 GLN 461 HB2 GLN 461 -10.363 0.459 5.248 227 HB3 GLN 461 HB1 GLN 461 -9.922 1.869 6.202 228 HG2 GLN 461 HG2 GLN 461 -11.818 3.091 5.246 229 HG3 GLN 461 HG1 GLN 461 -12.263 1.655 4.322 230 HE21 GLN 461 HE21 GLN 461 -11.476 -0.133 6.491 231 HE22 GLN 461 HE22 GLN 461 -12.726 -0.031 7.681 232 H GLU 462 HN GLU 462 -7.653 3.566 4.959 233 HA GLU 462 HA GLU 462 -9.222 6.008 4.777 234 HB2 GLU 462 HB2 GLU 462 -7.228 7.073 5.860 235 HB3 GLU 462 HB1 GLU 462 -7.986 5.800 6.799 236 HG2 GLU 462 HG2 GLU 462 -5.597 5.245 5.080 237 HG3 GLU 462 HG1 GLU 462 -5.431 5.902 6.709 238 H LEU 463 HN LEU 463 -7.711 4.349 2.529 239 HA LEU 463 HA LEU 463 -6.046 6.308 1.298 240 HB2 LEU 463 HB2 LEU 463 -6.110 3.754 0.912 241 HB3 LEU 463 HB1 LEU 463 -7.454 4.079 -0.162 242 HG LEU 463 HG LEU 463 -4.790 5.425 -0.553 243 HD11 LEU 463 HD11 LEU 463 -4.181 3.160 -0.577 244 HD12 LEU 463 HD12 LEU 463 -4.395 3.608 -2.270 245 HD13 LEU 463 HD13 LEU 463 -5.647 2.686 -1.436 246 HD21 LEU 463 HD21 LEU 463 -5.511 5.620 -2.848 247 HD22 LEU 463 HD22 LEU 463 -6.741 6.300 -1.783 248 HD23 LEU 463 HD23 LEU 463 -6.970 4.709 -2.492 249 H LYS 464 HN LYS 464 -9.436 5.669 1.385 250 HA LYS 464 HA LYS 464 -9.946 7.564 -0.788 251 HB2 LYS 464 HB2 LYS 464 -11.122 5.417 -0.927 252 HB3 LYS 464 HB1 LYS 464 -11.813 5.677 0.670 253 HG2 LYS 464 HG2 LYS 464 -12.985 7.670 -0.208 254 HG3 LYS 464 HG1 LYS 464 -12.368 7.286 -1.816 255 HD2 LYS 464 HD2 LYS 464 -13.576 5.224 -1.861 256 HD3 LYS 464 HD1 LYS 464 -14.020 5.381 -0.161 257 HE2 LYS 464 HE2 LYS 464 -14.901 7.214 -2.388 258 HE3 LYS 464 HE1 LYS 464 -15.883 5.945 -1.652 259 HZ1 LYS 464 HZ1 LYS 464 -16.431 8.074 -0.694 260 HZ2 LYS 464 HZ2 LYS 464 -14.810 8.356 -0.283 261 HZ3 LYS 464 HZ3 LYS 464 -15.669 7.112 0.479 Start of MODEL 11 1 H SER 433 HT1 SER 433 0.281 10.622 -4.791 2 HA SER 433 HA SER 433 1.393 8.462 -4.647 3 HB2 SER 433 HB2 SER 433 3.040 10.750 -3.540 4 HB3 SER 433 HB1 SER 433 3.639 9.363 -4.449 5 HG SER 433 HG SER 433 2.897 11.663 -5.416 6 H GLU 434 HN GLU 434 0.191 9.488 -1.786 7 HA GLU 434 HA GLU 434 2.188 8.751 0.073 8 HB2 GLU 434 HB2 GLU 434 -0.789 8.889 0.562 9 HB3 GLU 434 HB1 GLU 434 0.478 8.953 1.776 10 HG2 GLU 434 HG2 GLU 434 -0.162 11.159 1.558 11 HG3 GLU 434 HG1 GLU 434 1.269 11.058 0.533 12 H TRP 435 HN TRP 435 -0.226 6.942 -1.626 13 HA TRP 435 HA TRP 435 0.542 4.562 -0.070 14 HB2 TRP 435 HB2 TRP 435 -2.074 4.897 -1.565 15 HB3 TRP 435 HB1 TRP 435 -1.645 3.624 -0.424 16 HD1 TRP 435 HD1 TRP 435 -3.536 6.750 -0.557 17 HE1 TRP 435 HE1 TRP 435 -3.928 7.721 1.799 18 HE3 TRP 435 HE3 TRP 435 -0.243 3.861 2.063 19 HZ2 TRP 435 HZ2 TRP 435 -2.931 7.337 4.415 20 HZ3 TRP 435 HZ3 TRP 435 -0.009 4.229 4.477 21 HH2 TRP 435 HH2 TRP 435 -1.299 5.953 5.630 22 H THR 436 HN THR 436 2.003 3.491 -1.234 23 HA THR 436 HA THR 436 1.850 3.537 -4.138 24 HB THR 436 HB THR 436 3.905 2.349 -2.264 25 HG1 THR 436 HG1 THR 436 3.941 4.639 -2.498 26 HG21 THR 436 HG21 THR 436 3.739 0.961 -4.286 27 HG22 THR 436 HG22 THR 436 5.251 1.869 -4.264 28 HG23 THR 436 HG23 THR 436 3.922 2.402 -5.290 29 H GLU 437 HN GLU 437 0.184 2.268 -4.742 30 HA GLU 437 HA GLU 437 0.119 -0.496 -3.854 31 HB2 GLU 437 HB2 GLU 437 -1.802 -0.664 -5.493 32 HB3 GLU 437 HB1 GLU 437 -2.052 0.442 -4.150 33 HG2 GLU 437 HG2 GLU 437 -1.796 2.329 -5.505 34 HG3 GLU 437 HG1 GLU 437 -1.041 1.406 -6.800 35 H ARG 438 HN ARG 438 2.073 -1.293 -4.634 36 HA ARG 438 HA ARG 438 2.393 -1.207 -7.548 37 HB2 ARG 438 HB2 ARG 438 4.359 -0.551 -6.187 38 HB3 ARG 438 HB1 ARG 438 4.372 -2.155 -5.467 39 HG2 ARG 438 HG2 ARG 438 4.858 -3.165 -7.597 40 HG3 ARG 438 HG1 ARG 438 4.697 -1.608 -8.409 41 HD2 ARG 438 HD2 ARG 438 6.751 -2.248 -6.295 42 HD3 ARG 438 HD1 ARG 438 7.050 -2.285 -8.032 43 HE ARG 438 HE ARG 438 6.010 0.236 -7.285 44 HH11 ARG 438 HH11 ARG 438 8.938 -1.678 -7.027 45 HH12 ARG 438 HH12 ARG 438 9.990 -0.297 -7.000 46 HH21 ARG 438 HH21 ARG 438 7.386 2.059 -7.245 47 HH22 ARG 438 HH22 ARG 438 9.109 1.828 -7.089 48 H LYS 439 HN LYS 439 1.797 -2.858 -8.711 49 HA LYS 439 HA LYS 439 0.871 -5.243 -7.339 50 HB2 LYS 439 HB2 LYS 439 -0.605 -4.143 -8.972 51 HB3 LYS 439 HB1 LYS 439 0.601 -4.378 -10.227 52 HG2 LYS 439 HG2 LYS 439 -1.057 -6.032 -10.531 53 HG3 LYS 439 HG1 LYS 439 0.364 -6.843 -9.872 54 HD2 LYS 439 HD2 LYS 439 -1.610 -7.684 -8.776 55 HD3 LYS 439 HD1 LYS 439 -0.667 -6.736 -7.626 56 HE2 LYS 439 HE2 LYS 439 -3.053 -6.260 -7.419 57 HE3 LYS 439 HE1 LYS 439 -2.160 -4.837 -7.948 58 HZ1 LYS 439 HZ1 LYS 439 -2.949 -5.107 -10.148 59 HZ2 LYS 439 HZ2 LYS 439 -4.299 -5.264 -9.131 60 HZ3 LYS 439 HZ3 LYS 439 -3.586 -6.642 -9.817 61 H THR 440 HN THR 440 2.496 -6.602 -6.920 62 HA THR 440 HA THR 440 4.506 -7.152 -8.944 63 HB THR 440 HB THR 440 5.530 -8.643 -7.300 64 HG1 THR 440 HG1 THR 440 3.315 -7.981 -5.616 65 HG21 THR 440 HG21 THR 440 4.674 -6.017 -6.081 66 HG22 THR 440 HG22 THR 440 6.056 -6.267 -7.148 67 HG23 THR 440 HG23 THR 440 6.035 -7.003 -5.547 68 H ALA 441 HN ALA 441 4.693 -8.998 -10.112 69 HA ALA 441 HA ALA 441 2.265 -10.352 -10.723 70 HB1 ALA 441 HB1 ALA 441 5.057 -10.937 -11.689 71 HB2 ALA 441 HB2 ALA 441 3.931 -9.794 -12.424 72 HB3 ALA 441 HB3 ALA 441 3.557 -11.517 -12.412 73 H ASP 442 HN ASP 442 4.004 -10.811 -8.108 74 HA ASP 442 HA ASP 442 4.035 -13.715 -8.068 75 HB2 ASP 442 HB2 ASP 442 5.773 -12.389 -6.878 76 HB3 ASP 442 HB1 ASP 442 4.524 -11.729 -5.830 77 H GLY 443 HN GLY 443 1.752 -11.381 -7.886 78 HA2 GLY 443 HA2 GLY 443 -0.537 -11.786 -7.600 79 HA3 GLY 443 HA1 GLY 443 -0.144 -13.243 -6.699 80 H LYS 444 HN LYS 444 1.237 -10.071 -6.039 81 HA LYS 444 HA LYS 444 -0.539 -9.736 -3.767 82 HB2 LYS 444 HB2 LYS 444 1.306 -9.524 -2.144 83 HB3 LYS 444 HB1 LYS 444 1.172 -11.144 -2.804 84 HG2 LYS 444 HG2 LYS 444 3.064 -10.691 -4.291 85 HG3 LYS 444 HG1 LYS 444 3.198 -9.066 -3.615 86 HD2 LYS 444 HD2 LYS 444 3.502 -10.134 -1.362 87 HD3 LYS 444 HD1 LYS 444 3.594 -11.688 -2.185 88 HE2 LYS 444 HE2 LYS 444 5.441 -9.344 -2.623 89 HE3 LYS 444 HE1 LYS 444 5.813 -10.788 -1.685 90 HZ1 LYS 444 HZ1 LYS 444 5.382 -10.590 -4.607 91 HZ2 LYS 444 HZ2 LYS 444 5.403 -12.073 -3.785 92 HZ3 LYS 444 HZ3 LYS 444 6.784 -11.083 -3.794 93 H THR 445 HN THR 445 -1.093 -7.715 -3.565 94 HA THR 445 HA THR 445 0.537 -5.612 -4.800 95 HB THR 445 HB THR 445 -2.105 -5.105 -3.473 96 HG1 THR 445 HG1 THR 445 -2.625 -6.860 -4.730 97 HG21 THR 445 HG21 THR 445 -2.333 -3.495 -5.324 98 HG22 THR 445 HG22 THR 445 -0.773 -4.022 -5.962 99 HG23 THR 445 HG23 THR 445 -0.859 -3.222 -4.395 100 H TYR 446 HN TYR 446 2.013 -4.669 -3.463 101 HA TYR 446 HA TYR 446 1.350 -4.586 -0.615 102 HB2 TYR 446 HB2 TYR 446 3.622 -4.196 -0.124 103 HB3 TYR 446 HB1 TYR 446 3.585 -5.480 -1.307 104 HD1 TYR 446 HD1 TYR 446 4.337 -5.000 -3.663 105 HD2 TYR 446 HD2 TYR 446 4.716 -2.154 -0.522 106 HE1 TYR 446 HE1 TYR 446 6.016 -3.771 -4.978 107 HE2 TYR 446 HE2 TYR 446 6.382 -0.916 -1.831 108 HH TYR 446 HH TYR 446 6.908 -1.393 -5.085 109 H TYR 447 HN TYR 447 0.895 -2.793 0.416 110 HA TYR 447 HA TYR 447 1.149 -0.278 -1.045 111 HB2 TYR 447 HB2 TYR 447 -0.490 -1.051 1.359 112 HB3 TYR 447 HB1 TYR 447 -0.294 0.618 0.846 113 HD1 TYR 447 HD2 TYR 447 -1.529 -2.707 -0.317 114 HD2 TYR 447 HD1 TYR 447 -1.686 1.520 -0.796 115 HE1 TYR 447 HE2 TYR 447 -3.425 -2.956 -1.868 116 HE2 TYR 447 HE1 TYR 447 -3.580 1.280 -2.342 117 HH TYR 447 HH TYR 447 -4.568 -0.367 -3.801 118 H TYR 448 HN TYR 448 3.342 -0.004 -0.773 119 HA TYR 448 HA TYR 448 4.358 0.476 1.895 120 HB2 TYR 448 HB2 TYR 448 5.992 -0.375 0.419 121 HB3 TYR 448 HB1 TYR 448 5.506 0.700 -0.885 122 HD1 TYR 448 HD1 TYR 448 6.734 1.086 2.647 123 HD2 TYR 448 HD2 TYR 448 7.037 2.318 -1.417 124 HE1 TYR 448 HE1 TYR 448 8.534 2.654 3.261 125 HE2 TYR 448 HE2 TYR 448 8.834 3.878 -0.817 126 HH TYR 448 HH TYR 448 10.502 3.736 2.047 127 H ASN 449 HN ASN 449 4.243 2.292 2.939 128 HA ASN 449 HA ASN 449 3.118 4.641 1.580 129 HB2 ASN 449 HB2 ASN 449 1.550 3.920 3.136 130 HB3 ASN 449 HB1 ASN 449 2.777 3.460 4.311 131 HD21 ASN 449 HD21 ASN 449 1.358 6.237 2.681 132 HD22 ASN 449 HD22 ASN 449 1.537 7.329 4.014 133 H ASN 450 HN ASN 450 3.919 6.652 1.900 134 HA ASN 450 HA ASN 450 6.553 6.836 3.171 135 HB2 ASN 450 HB2 ASN 450 6.714 8.997 1.877 136 HB3 ASN 450 HB1 ASN 450 6.598 7.545 0.888 137 HD21 ASN 450 HD21 ASN 450 4.962 10.438 1.949 138 HD22 ASN 450 HD22 ASN 450 3.681 10.360 0.786 139 H ARG 451 HN ARG 451 3.379 7.482 3.928 140 HA ARG 451 HA ARG 451 3.560 10.031 5.134 141 HB2 ARG 451 HB2 ARG 451 1.661 7.764 5.527 142 HB3 ARG 451 HB1 ARG 451 1.607 9.174 6.577 143 HG2 ARG 451 HG2 ARG 451 1.393 10.573 4.492 144 HG3 ARG 451 HG1 ARG 451 1.160 9.061 3.609 145 HD2 ARG 451 HD2 ARG 451 -0.746 8.531 5.082 146 HD3 ARG 451 HD1 ARG 451 -0.533 10.086 5.887 147 HE ARG 451 HE ARG 451 -0.806 10.710 3.239 148 HH11 ARG 451 HH11 ARG 451 -2.729 9.122 5.681 149 HH12 ARG 451 HH12 ARG 451 -4.242 9.359 4.852 150 HH21 ARG 451 HH21 ARG 451 -2.790 11.074 2.143 151 HH22 ARG 451 HH22 ARG 451 -4.275 10.494 2.837 152 H THR 452 HN THR 452 3.676 6.803 6.590 153 HA THR 452 HA THR 452 5.220 7.972 8.804 154 HB THR 452 HB THR 452 3.096 7.348 9.693 155 HG1 THR 452 HG1 THR 452 5.134 5.449 10.283 156 HG21 THR 452 HG21 THR 452 2.182 5.081 9.508 157 HG22 THR 452 HG22 THR 452 3.521 4.632 8.451 158 HG23 THR 452 HG23 THR 452 2.352 5.844 7.928 159 H LEU 453 HN LEU 453 5.588 6.189 6.143 160 HA LEU 453 HA LEU 453 7.051 4.648 5.367 161 HB2 LEU 453 HB2 LEU 453 8.374 5.468 7.901 162 HB3 LEU 453 HB1 LEU 453 8.926 3.987 7.152 163 HG LEU 453 HG LEU 453 10.153 6.210 6.617 164 HD11 LEU 453 HD11 LEU 453 10.212 3.874 5.440 165 HD12 LEU 453 HD12 LEU 453 10.945 5.282 4.670 166 HD13 LEU 453 HD13 LEU 453 9.353 4.730 4.162 167 HD21 LEU 453 HD21 LEU 453 9.285 7.499 4.812 168 HD22 LEU 453 HD22 LEU 453 8.021 7.407 6.044 169 HD23 LEU 453 HD23 LEU 453 7.928 6.388 4.601 170 H GLU 454 HN GLU 454 5.112 3.364 5.534 171 HA GLU 454 HA GLU 454 5.425 1.086 7.354 172 HB2 GLU 454 HB2 GLU 454 3.103 2.921 7.059 173 HB3 GLU 454 HB1 GLU 454 2.758 1.211 7.260 174 HG2 GLU 454 HG2 GLU 454 4.619 2.582 9.145 175 HG3 GLU 454 HG1 GLU 454 2.873 2.761 9.331 176 H SER 455 HN SER 455 5.269 -0.798 6.351 177 HA SER 455 HA SER 455 4.100 -0.883 3.668 178 HB2 SER 455 HB2 SER 455 5.068 -3.254 3.701 179 HB3 SER 455 HB1 SER 455 6.237 -1.931 3.711 180 HG SER 455 HG SER 455 5.575 -2.547 6.237 181 H THR 456 HN THR 456 1.996 -1.320 3.578 182 HA THR 456 HA THR 456 0.880 -3.083 5.648 183 HB THR 456 HB THR 456 0.215 -0.816 6.201 184 HG1 THR 456 HG1 THR 456 -1.391 -2.760 6.064 185 HG21 THR 456 HG21 THR 456 0.404 0.272 4.048 186 HG22 THR 456 HG22 THR 456 -1.218 0.512 4.701 187 HG23 THR 456 HG23 THR 456 -0.950 -0.674 3.428 188 H TRP 457 HN TRP 457 -0.336 -4.699 4.953 189 HA TRP 457 HA TRP 457 -0.603 -4.910 2.031 190 HB2 TRP 457 HB2 TRP 457 0.021 -7.064 4.075 191 HB3 TRP 457 HB1 TRP 457 -0.198 -7.349 2.345 192 HD1 TRP 457 HD1 TRP 457 1.995 -4.994 4.527 193 HE1 TRP 457 HE1 TRP 457 4.298 -4.772 3.425 194 HE3 TRP 457 HE3 TRP 457 1.274 -8.077 0.509 195 HZ2 TRP 457 HZ2 TRP 457 5.624 -5.714 1.154 196 HZ3 TRP 457 HZ3 TRP 457 3.139 -8.397 -1.065 197 HH2 TRP 457 HH2 TRP 457 5.279 -7.257 -0.739 198 H GLU 458 HN GLU 458 -2.289 -4.500 4.767 199 HA GLU 458 HA GLU 458 -4.731 -5.613 3.603 200 HB2 GLU 458 HB2 GLU 458 -5.793 -4.745 5.718 201 HB3 GLU 458 HB1 GLU 458 -4.608 -6.016 5.966 202 HG2 GLU 458 HG2 GLU 458 -3.811 -3.147 6.197 203 HG3 GLU 458 HG1 GLU 458 -4.635 -3.955 7.528 204 H LYS 459 HN LYS 459 -6.218 -4.284 2.661 205 HA LYS 459 HA LYS 459 -5.202 -1.951 1.475 206 HB2 LYS 459 HB2 LYS 459 -8.082 -2.839 1.670 207 HB3 LYS 459 HB1 LYS 459 -7.448 -1.649 0.542 208 HG2 LYS 459 HG2 LYS 459 -5.997 -3.416 -0.418 209 HG3 LYS 459 HG1 LYS 459 -6.801 -4.584 0.633 210 HD2 LYS 459 HD2 LYS 459 -8.970 -3.923 -0.391 211 HD3 LYS 459 HD1 LYS 459 -8.078 -2.893 -1.512 212 HE2 LYS 459 HE2 LYS 459 -6.866 -4.867 -2.333 213 HE3 LYS 459 HE1 LYS 459 -7.804 -5.886 -1.241 214 HZ1 LYS 459 HZ1 LYS 459 -8.846 -6.015 -3.332 215 HZ2 LYS 459 HZ2 LYS 459 -8.771 -4.339 -3.573 216 HZ3 LYS 459 HZ3 LYS 459 -9.824 -4.977 -2.408 217 HA PRO 460 HA PRO 460 -5.952 1.018 4.771 218 HB2 PRO 460 HB2 PRO 460 -5.370 2.923 2.580 219 HB3 PRO 460 HB1 PRO 460 -4.611 2.769 4.169 220 HG2 PRO 460 HG2 PRO 460 -3.349 1.991 1.946 221 HG3 PRO 460 HG1 PRO 460 -3.175 1.102 3.469 222 HD2 PRO 460 HD2 PRO 460 -4.808 0.426 1.054 223 HD3 PRO 460 HD1 PRO 460 -3.875 -0.638 2.126 224 H GLN 461 HN GLN 461 -7.963 1.513 5.300 225 HA GLN 461 HA GLN 461 -9.975 1.831 3.239 226 HB2 GLN 461 HB2 GLN 461 -10.178 1.752 6.252 227 HB3 GLN 461 HB1 GLN 461 -11.559 1.854 5.169 228 HG2 GLN 461 HG2 GLN 461 -10.974 -0.293 4.190 229 HG3 GLN 461 HG1 GLN 461 -9.557 -0.394 5.236 230 HE21 GLN 461 HE21 GLN 461 -13.017 -0.591 5.059 231 HE22 GLN 461 HE22 GLN 461 -13.264 -1.289 6.620 232 H GLU 462 HN GLU 462 -7.899 3.941 4.691 233 HA GLU 462 HA GLU 462 -9.743 6.106 5.130 234 HB2 GLU 462 HB2 GLU 462 -7.849 7.422 5.741 235 HB3 GLU 462 HB1 GLU 462 -7.623 5.823 6.426 236 HG2 GLU 462 HG2 GLU 462 -5.537 6.132 5.625 237 HG3 GLU 462 HG1 GLU 462 -6.269 5.482 4.158 238 H LEU 463 HN LEU 463 -8.309 4.736 2.440 239 HA LEU 463 HA LEU 463 -8.088 7.137 0.850 240 HB2 LEU 463 HB2 LEU 463 -6.625 5.146 0.527 241 HB3 LEU 463 HB1 LEU 463 -8.027 4.238 0.000 242 HG LEU 463 HG LEU 463 -8.284 5.813 -1.911 243 HD11 LEU 463 HD11 LEU 463 -6.414 7.285 -2.476 244 HD12 LEU 463 HD12 LEU 463 -5.632 6.879 -0.947 245 HD13 LEU 463 HD13 LEU 463 -7.167 7.748 -0.949 246 HD21 LEU 463 HD21 LEU 463 -6.398 4.933 -3.198 247 HD22 LEU 463 HD22 LEU 463 -7.135 3.684 -2.194 248 HD23 LEU 463 HD23 LEU 463 -5.613 4.426 -1.701 249 H LYS 464 HN LYS 464 -10.591 5.309 1.957 250 HA LYS 464 HA LYS 464 -12.814 5.212 1.532 251 HB2 LYS 464 HB2 LYS 464 -12.514 7.673 1.124 252 HB3 LYS 464 HB1 LYS 464 -12.321 7.309 -0.585 253 HG2 LYS 464 HG2 LYS 464 -14.616 6.143 -0.351 254 HG3 LYS 464 HG1 LYS 464 -14.758 7.094 1.128 255 HD2 LYS 464 HD2 LYS 464 -15.704 8.544 -0.370 256 HD3 LYS 464 HD1 LYS 464 -14.020 9.057 -0.468 257 HE2 LYS 464 HE2 LYS 464 -15.430 7.173 -2.354 258 HE3 LYS 464 HE1 LYS 464 -14.995 8.844 -2.691 259 HZ1 LYS 464 HZ1 LYS 464 -13.086 6.616 -2.174 260 HZ2 LYS 464 HZ2 LYS 464 -12.659 8.232 -2.481 261 HZ3 LYS 464 HZ3 LYS 464 -13.429 7.314 -3.683 Start of MODEL 12 1 H SER 433 HT1 SER 433 -1.520 10.583 -4.277 2 HA SER 433 HA SER 433 0.358 9.168 -4.784 3 HB2 SER 433 HB2 SER 433 1.192 11.857 -3.665 4 HB3 SER 433 HB1 SER 433 1.995 10.953 -4.951 5 HG SER 433 HG SER 433 0.747 12.154 -6.171 6 H GLU 434 HN GLU 434 -0.322 9.268 -1.614 7 HA GLU 434 HA GLU 434 2.413 8.769 -0.700 8 HB2 GLU 434 HB2 GLU 434 1.517 8.988 1.570 9 HB3 GLU 434 HB1 GLU 434 1.153 10.402 0.594 10 HG2 GLU 434 HG2 GLU 434 -0.825 8.180 0.981 11 HG3 GLU 434 HG1 GLU 434 -0.677 9.515 2.120 12 H TRP 435 HN TRP 435 -0.375 7.086 -1.634 13 HA TRP 435 HA TRP 435 0.496 4.702 -0.138 14 HB2 TRP 435 HB2 TRP 435 -2.162 5.023 -1.550 15 HB3 TRP 435 HB1 TRP 435 -1.706 3.791 -0.378 16 HD1 TRP 435 HD1 TRP 435 -3.306 7.124 -0.649 17 HE1 TRP 435 HE1 TRP 435 -3.786 8.108 1.686 18 HE3 TRP 435 HE3 TRP 435 -0.680 3.787 2.172 19 HZ2 TRP 435 HZ2 TRP 435 -3.141 7.529 4.355 20 HZ3 TRP 435 HZ3 TRP 435 -0.660 4.077 4.614 21 HH2 TRP 435 HH2 TRP 435 -1.855 5.917 5.680 22 H THR 436 HN THR 436 1.951 3.675 -1.380 23 HA THR 436 HA THR 436 1.492 3.430 -4.244 24 HB THR 436 HB THR 436 3.769 2.406 -2.531 25 HG1 THR 436 HG1 THR 436 3.436 4.686 -4.190 26 HG21 THR 436 HG21 THR 436 3.439 0.984 -4.509 27 HG22 THR 436 HG22 THR 436 4.915 1.941 -4.659 28 HG23 THR 436 HG23 THR 436 3.467 2.411 -5.547 29 H GLU 437 HN GLU 437 -0.205 2.012 -4.528 30 HA GLU 437 HA GLU 437 0.114 -0.641 -3.376 31 HB2 GLU 437 HB2 GLU 437 -2.047 -1.082 -4.746 32 HB3 GLU 437 HB1 GLU 437 -2.137 -0.128 -3.277 33 HG2 GLU 437 HG2 GLU 437 -3.381 1.204 -4.597 34 HG3 GLU 437 HG1 GLU 437 -1.801 1.854 -5.021 35 H ARG 438 HN ARG 438 1.907 -1.412 -4.344 36 HA ARG 438 HA ARG 438 2.091 -1.291 -7.246 37 HB2 ARG 438 HB2 ARG 438 4.107 -0.766 -5.999 38 HB3 ARG 438 HB1 ARG 438 4.031 -2.316 -5.167 39 HG2 ARG 438 HG2 ARG 438 4.455 -3.494 -7.223 40 HG3 ARG 438 HG1 ARG 438 4.395 -1.986 -8.140 41 HD2 ARG 438 HD2 ARG 438 6.380 -1.191 -7.120 42 HD3 ARG 438 HD1 ARG 438 6.358 -2.479 -5.917 43 HE ARG 438 HE ARG 438 6.503 -3.672 -8.434 44 HH11 ARG 438 HH11 ARG 438 8.444 -1.604 -6.388 45 HH12 ARG 438 HH12 ARG 438 9.955 -2.217 -6.995 46 HH21 ARG 438 HH21 ARG 438 8.481 -4.491 -9.221 47 HH22 ARG 438 HH22 ARG 438 9.977 -3.846 -8.611 48 H LYS 439 HN LYS 439 1.566 -2.878 -8.533 49 HA LYS 439 HA LYS 439 0.682 -5.387 -7.363 50 HB2 LYS 439 HB2 LYS 439 -0.716 -4.180 -9.050 51 HB3 LYS 439 HB1 LYS 439 0.543 -4.467 -10.243 52 HG2 LYS 439 HG2 LYS 439 -1.144 -6.093 -10.586 53 HG3 LYS 439 HG1 LYS 439 0.227 -6.922 -9.846 54 HD2 LYS 439 HD2 LYS 439 -0.848 -6.913 -7.704 55 HD3 LYS 439 HD1 LYS 439 -2.156 -5.894 -8.310 56 HE2 LYS 439 HE2 LYS 439 -2.669 -7.768 -9.936 57 HE3 LYS 439 HE1 LYS 439 -1.561 -8.764 -8.990 58 HZ1 LYS 439 HZ1 LYS 439 -3.759 -9.145 -8.200 59 HZ2 LYS 439 HZ2 LYS 439 -4.069 -7.484 -8.055 60 HZ3 LYS 439 HZ3 LYS 439 -2.958 -8.233 -7.018 61 H THR 440 HN THR 440 2.342 -6.679 -6.938 62 HA THR 440 HA THR 440 4.511 -6.985 -8.845 63 HB THR 440 HB THR 440 5.416 -8.629 -7.205 64 HG1 THR 440 HG1 THR 440 3.185 -7.849 -5.597 65 HG21 THR 440 HG21 THR 440 5.941 -6.195 -7.055 66 HG22 THR 440 HG22 THR 440 6.018 -7.031 -5.505 67 HG23 THR 440 HG23 THR 440 4.623 -6.024 -5.895 68 H ALA 441 HN ALA 441 4.942 -8.837 -10.026 69 HA ALA 441 HA ALA 441 2.717 -10.264 -11.003 70 HB1 ALA 441 HB1 ALA 441 4.718 -9.830 -12.339 71 HB2 ALA 441 HB2 ALA 441 4.330 -11.550 -12.297 72 HB3 ALA 441 HB3 ALA 441 5.645 -10.918 -11.305 73 H ASP 442 HN ASP 442 4.588 -10.721 -8.237 74 HA ASP 442 HA ASP 442 4.296 -13.522 -7.888 75 HB2 ASP 442 HB2 ASP 442 5.921 -12.066 -6.656 76 HB3 ASP 442 HB1 ASP 442 4.566 -11.385 -5.764 77 H GLY 443 HN GLY 443 2.043 -11.067 -7.992 78 HA2 GLY 443 HA2 GLY 443 -0.271 -11.396 -7.931 79 HA3 GLY 443 HA1 GLY 443 -0.014 -12.885 -7.036 80 H LYS 444 HN LYS 444 1.293 -9.707 -6.219 81 HA LYS 444 HA LYS 444 -0.564 -9.542 -3.962 82 HB2 LYS 444 HB2 LYS 444 2.446 -9.554 -3.643 83 HB3 LYS 444 HB1 LYS 444 1.303 -9.127 -2.377 84 HG2 LYS 444 HG2 LYS 444 0.377 -11.359 -2.408 85 HG3 LYS 444 HG1 LYS 444 1.427 -11.802 -3.753 86 HD2 LYS 444 HD2 LYS 444 3.389 -11.395 -2.316 87 HD3 LYS 444 HD1 LYS 444 2.306 -11.029 -0.971 88 HE2 LYS 444 HE2 LYS 444 3.153 -13.343 -0.895 89 HE3 LYS 444 HE1 LYS 444 1.397 -13.273 -1.047 90 HZ1 LYS 444 HZ1 LYS 444 1.633 -13.681 -3.422 91 HZ2 LYS 444 HZ2 LYS 444 2.333 -14.932 -2.528 92 HZ3 LYS 444 HZ3 LYS 444 3.317 -13.760 -3.267 93 H THR 445 HN THR 445 -1.355 -7.568 -3.869 94 HA THR 445 HA THR 445 0.142 -5.277 -4.860 95 HB THR 445 HB THR 445 -1.982 -4.125 -3.735 96 HG1 THR 445 HG1 THR 445 -2.980 -5.858 -2.857 97 HG21 THR 445 HG21 THR 445 -3.129 -4.215 -5.849 98 HG22 THR 445 HG22 THR 445 -2.188 -5.622 -6.343 99 HG23 THR 445 HG23 THR 445 -1.395 -4.061 -6.128 100 H TYR 446 HN TYR 446 1.794 -4.766 -3.446 101 HA TYR 446 HA TYR 446 1.067 -4.653 -0.622 102 HB2 TYR 446 HB2 TYR 446 3.356 -4.492 -0.070 103 HB3 TYR 446 HB1 TYR 446 3.202 -5.765 -1.253 104 HD1 TYR 446 HD1 TYR 446 4.021 -5.343 -3.612 105 HD2 TYR 446 HD2 TYR 446 4.719 -2.624 -0.413 106 HE1 TYR 446 HE1 TYR 446 5.865 -4.323 -4.880 107 HE2 TYR 446 HE2 TYR 446 6.555 -1.595 -1.677 108 HH TYR 446 HH TYR 446 8.141 -2.280 -3.485 109 H TYR 447 HN TYR 447 0.695 -2.881 0.400 110 HA TYR 447 HA TYR 447 1.056 -0.371 -1.028 111 HB2 TYR 447 HB2 TYR 447 -0.430 -0.969 1.545 112 HB3 TYR 447 HB1 TYR 447 -0.362 0.598 0.749 113 HD1 TYR 447 HD2 TYR 447 -1.276 -2.939 -0.100 114 HD2 TYR 447 HD1 TYR 447 -2.185 1.196 -0.519 115 HE1 TYR 447 HE2 TYR 447 -3.283 -3.518 -1.396 116 HE2 TYR 447 HE1 TYR 447 -4.206 0.625 -1.798 117 HH TYR 447 HH TYR 447 -4.997 -1.347 -3.236 118 H TYR 448 HN TYR 448 3.241 0.033 -0.787 119 HA TYR 448 HA TYR 448 4.279 0.344 1.885 120 HB2 TYR 448 HB2 TYR 448 5.984 -0.225 0.404 121 HB3 TYR 448 HB1 TYR 448 5.352 0.798 -0.880 122 HD1 TYR 448 HD1 TYR 448 6.608 1.280 2.627 123 HD2 TYR 448 HD2 TYR 448 6.667 2.592 -1.422 124 HE1 TYR 448 HE1 TYR 448 8.197 3.059 3.235 125 HE2 TYR 448 HE2 TYR 448 8.257 4.368 -0.829 126 HH TYR 448 HH TYR 448 8.908 5.653 1.175 127 H ASN 449 HN ASN 449 3.810 1.924 3.085 128 HA ASN 449 HA ASN 449 2.420 4.257 2.067 129 HB2 ASN 449 HB2 ASN 449 1.239 3.393 3.842 130 HB3 ASN 449 HB1 ASN 449 2.689 2.844 4.675 131 HD21 ASN 449 HD21 ASN 449 0.703 5.603 3.935 132 HD22 ASN 449 HD22 ASN 449 1.189 6.556 5.289 133 H ASN 450 HN ASN 450 3.224 6.247 2.014 134 HA ASN 450 HA ASN 450 5.970 6.629 2.959 135 HB2 ASN 450 HB2 ASN 450 4.289 8.229 1.019 136 HB3 ASN 450 HB1 ASN 450 5.928 8.654 1.497 137 HD21 ASN 450 HD21 ASN 450 3.951 6.517 -0.369 138 HD22 ASN 450 HD22 ASN 450 5.234 5.753 -1.238 139 H ARG 451 HN ARG 451 2.917 7.135 4.069 140 HA ARG 451 HA ARG 451 3.170 9.759 5.140 141 HB2 ARG 451 HB2 ARG 451 1.316 7.497 5.789 142 HB3 ARG 451 HB1 ARG 451 1.298 9.005 6.694 143 HG2 ARG 451 HG2 ARG 451 0.885 8.780 3.717 144 HG3 ARG 451 HG1 ARG 451 -0.403 8.931 4.916 145 HD2 ARG 451 HD2 ARG 451 0.415 11.093 5.592 146 HD3 ARG 451 HD1 ARG 451 1.822 10.929 4.543 147 HE ARG 451 HE ARG 451 -0.737 10.801 3.199 148 HH11 ARG 451 HH11 ARG 451 1.901 12.843 4.273 149 HH12 ARG 451 HH12 ARG 451 1.563 14.094 3.112 150 HH21 ARG 451 HH21 ARG 451 -1.144 12.410 1.642 151 HH22 ARG 451 HH22 ARG 451 -0.147 13.843 1.598 152 H THR 452 HN THR 452 3.521 6.528 6.572 153 HA THR 452 HA THR 452 5.091 7.767 8.739 154 HB THR 452 HB THR 452 3.771 5.112 9.105 155 HG1 THR 452 HG1 THR 452 1.848 5.944 9.005 156 HG21 THR 452 HG21 THR 452 3.608 5.917 11.433 157 HG22 THR 452 HG22 THR 452 4.349 7.441 10.942 158 HG23 THR 452 HG23 THR 452 5.267 5.939 10.839 159 H LEU 453 HN LEU 453 5.428 6.032 5.997 160 HA LEU 453 HA LEU 453 7.044 4.686 5.113 161 HB2 LEU 453 HB2 LEU 453 8.271 5.326 7.760 162 HB3 LEU 453 HB1 LEU 453 8.935 3.989 6.848 163 HG LEU 453 HG LEU 453 10.053 6.287 6.604 164 HD11 LEU 453 HD11 LEU 453 10.256 4.220 5.091 165 HD12 LEU 453 HD12 LEU 453 10.766 5.780 4.449 166 HD13 LEU 453 HD13 LEU 453 9.206 5.109 3.985 167 HD21 LEU 453 HD21 LEU 453 9.088 7.774 4.948 168 HD22 LEU 453 HD22 LEU 453 7.979 7.574 6.307 169 HD23 LEU 453 HD23 LEU 453 7.684 6.717 4.790 170 H GLU 454 HN GLU 454 4.665 3.719 6.152 171 HA GLU 454 HA GLU 454 5.254 1.344 7.754 172 HB2 GLU 454 HB2 GLU 454 2.628 2.502 6.796 173 HB3 GLU 454 HB1 GLU 454 2.789 1.105 7.847 174 HG2 GLU 454 HG2 GLU 454 3.785 2.486 9.570 175 HG3 GLU 454 HG1 GLU 454 3.698 3.893 8.509 176 H SER 455 HN SER 455 5.086 -0.736 6.997 177 HA SER 455 HA SER 455 4.402 -1.090 4.187 178 HB2 SER 455 HB2 SER 455 5.109 -3.479 4.627 179 HB3 SER 455 HB1 SER 455 6.378 -2.274 4.852 180 HG SER 455 HG SER 455 5.644 -4.067 6.567 181 H THR 456 HN THR 456 2.348 -1.438 3.671 182 HA THR 456 HA THR 456 0.584 -2.628 5.712 183 HB THR 456 HB THR 456 -1.241 -1.208 4.548 184 HG1 THR 456 HG1 THR 456 0.783 -0.458 3.087 185 HG21 THR 456 HG21 THR 456 -0.785 0.698 6.038 186 HG22 THR 456 HG22 THR 456 0.851 0.087 6.294 187 HG23 THR 456 HG23 THR 456 -0.537 -0.851 6.845 188 H TRP 457 HN TRP 457 -0.233 -4.481 5.097 189 HA TRP 457 HA TRP 457 -0.430 -5.010 2.215 190 HB2 TRP 457 HB2 TRP 457 0.368 -6.898 4.449 191 HB3 TRP 457 HB1 TRP 457 0.089 -7.401 2.778 192 HD1 TRP 457 HD1 TRP 457 2.247 -4.711 4.571 193 HE1 TRP 457 HE1 TRP 457 4.476 -4.488 3.324 194 HE3 TRP 457 HE3 TRP 457 1.514 -8.231 0.922 195 HZ2 TRP 457 HZ2 TRP 457 5.746 -5.589 1.107 196 HZ3 TRP 457 HZ3 TRP 457 3.321 -8.610 -0.711 197 HH2 TRP 457 HH2 TRP 457 5.404 -7.335 -0.610 198 H GLU 458 HN GLU 458 -2.184 -4.366 4.826 199 HA GLU 458 HA GLU 458 -4.534 -5.724 3.696 200 HB2 GLU 458 HB2 GLU 458 -4.186 -4.310 6.355 201 HB3 GLU 458 HB1 GLU 458 -5.701 -4.988 5.773 202 HG2 GLU 458 HG2 GLU 458 -4.653 -7.219 5.744 203 HG3 GLU 458 HG1 GLU 458 -3.184 -6.512 6.416 204 H LYS 459 HN LYS 459 -6.104 -4.446 2.756 205 HA LYS 459 HA LYS 459 -5.161 -2.102 1.552 206 HB2 LYS 459 HB2 LYS 459 -7.984 -3.158 1.713 207 HB3 LYS 459 HB1 LYS 459 -7.444 -1.883 0.628 208 HG2 LYS 459 HG2 LYS 459 -5.872 -3.465 -0.412 209 HG3 LYS 459 HG1 LYS 459 -6.488 -4.738 0.641 210 HD2 LYS 459 HD2 LYS 459 -7.568 -4.975 -1.469 211 HD3 LYS 459 HD1 LYS 459 -8.757 -4.330 -0.339 212 HE2 LYS 459 HE2 LYS 459 -7.162 -2.455 -2.036 213 HE3 LYS 459 HE1 LYS 459 -8.518 -3.328 -2.747 214 HZ1 LYS 459 HZ1 LYS 459 -9.952 -2.399 -1.019 215 HZ2 LYS 459 HZ2 LYS 459 -9.225 -1.184 -1.952 216 HZ3 LYS 459 HZ3 LYS 459 -8.649 -1.513 -0.393 217 HA PRO 460 HA PRO 460 -5.836 0.844 4.840 218 HB2 PRO 460 HB2 PRO 460 -5.435 2.813 2.697 219 HB3 PRO 460 HB1 PRO 460 -4.518 2.569 4.183 220 HG2 PRO 460 HG2 PRO 460 -3.594 1.915 1.712 221 HG3 PRO 460 HG1 PRO 460 -3.073 1.115 3.199 222 HD2 PRO 460 HD2 PRO 460 -4.864 0.147 1.057 223 HD3 PRO 460 HD1 PRO 460 -3.848 -0.768 2.187 224 H GLN 461 HN GLN 461 -7.587 1.946 5.527 225 HA GLN 461 HA GLN 461 -9.836 2.255 3.710 226 HB2 GLN 461 HB2 GLN 461 -10.193 1.358 5.995 227 HB3 GLN 461 HB1 GLN 461 -9.625 2.882 6.665 228 HG2 GLN 461 HG2 GLN 461 -11.490 4.050 5.649 229 HG3 GLN 461 HG1 GLN 461 -12.046 2.551 4.909 230 HE21 GLN 461 HE21 GLN 461 -10.735 2.703 8.150 231 HE22 GLN 461 HE22 GLN 461 -12.227 2.378 8.963 232 H GLU 462 HN GLU 462 -7.214 4.041 4.823 233 HA GLU 462 HA GLU 462 -8.303 6.661 4.775 234 HB2 GLU 462 HB2 GLU 462 -6.131 5.951 5.834 235 HB3 GLU 462 HB1 GLU 462 -5.448 5.830 4.221 236 HG2 GLU 462 HG2 GLU 462 -4.785 7.906 5.189 237 HG3 GLU 462 HG1 GLU 462 -5.924 8.233 3.884 238 H LEU 463 HN LEU 463 -7.781 4.434 2.317 239 HA LEU 463 HA LEU 463 -7.079 6.417 0.298 240 HB2 LEU 463 HB2 LEU 463 -5.877 4.254 0.411 241 HB3 LEU 463 HB1 LEU 463 -7.376 3.425 0.045 242 HG LEU 463 HG LEU 463 -7.445 4.495 -2.161 243 HD11 LEU 463 HD11 LEU 463 -6.310 6.579 -1.615 244 HD12 LEU 463 HD12 LEU 463 -5.522 5.774 -2.971 245 HD13 LEU 463 HD13 LEU 463 -4.799 5.704 -1.363 246 HD21 LEU 463 HD21 LEU 463 -5.589 3.298 -3.161 247 HD22 LEU 463 HD22 LEU 463 -6.303 2.335 -1.866 248 HD23 LEU 463 HD23 LEU 463 -4.783 3.196 -1.594 249 H LYS 464 HN LYS 464 -9.900 5.148 1.600 250 HA LYS 464 HA LYS 464 -11.356 5.192 -0.922 251 HB2 LYS 464 HB2 LYS 464 -13.300 4.441 0.356 252 HB3 LYS 464 HB1 LYS 464 -11.911 3.409 0.669 253 HG2 LYS 464 HG2 LYS 464 -12.050 3.791 2.839 254 HG3 LYS 464 HG1 LYS 464 -11.997 5.537 2.585 255 HD2 LYS 464 HD2 LYS 464 -14.534 5.049 1.848 256 HD3 LYS 464 HD1 LYS 464 -14.307 3.743 3.016 257 HE2 LYS 464 HE2 LYS 464 -15.172 5.644 4.190 258 HE3 LYS 464 HE1 LYS 464 -13.479 5.444 4.646 259 HZ1 LYS 464 HZ1 LYS 464 -13.718 7.716 4.237 260 HZ2 LYS 464 HZ2 LYS 464 -14.676 7.474 2.862 261 HZ3 LYS 464 HZ3 LYS 464 -13.018 7.130 2.802 Start of MODEL 13 1 H SER 433 HT1 SER 433 -0.606 9.756 -3.233 2 HA SER 433 HA SER 433 1.320 8.985 -4.415 3 HB2 SER 433 HB2 SER 433 2.686 11.451 -3.300 4 HB3 SER 433 HB1 SER 433 3.395 10.237 -4.366 5 HG SER 433 HG SER 433 2.328 11.040 -6.044 6 H GLU 434 HN GLU 434 0.056 9.380 -1.542 7 HA GLU 434 HA GLU 434 2.393 8.825 0.105 8 HB2 GLU 434 HB2 GLU 434 -0.480 9.293 0.928 9 HB3 GLU 434 HB1 GLU 434 0.890 9.152 2.018 10 HG2 GLU 434 HG2 GLU 434 0.436 11.447 1.853 11 HG3 GLU 434 HG1 GLU 434 1.858 11.175 0.850 12 H TRP 435 HN TRP 435 0.025 7.111 -1.542 13 HA TRP 435 HA TRP 435 0.530 4.742 0.129 14 HB2 TRP 435 HB2 TRP 435 -2.044 5.301 -1.371 15 HB3 TRP 435 HB1 TRP 435 -1.712 3.916 -0.336 16 HD1 TRP 435 HD1 TRP 435 -3.359 7.185 -0.233 17 HE1 TRP 435 HE1 TRP 435 -3.736 7.969 2.200 18 HE3 TRP 435 HE3 TRP 435 -0.364 3.825 2.170 19 HZ2 TRP 435 HZ2 TRP 435 -2.865 7.259 4.777 20 HZ3 TRP 435 HZ3 TRP 435 -0.175 3.955 4.616 21 HH2 TRP 435 HH2 TRP 435 -1.371 5.659 5.886 22 H THR 436 HN THR 436 2.030 3.695 -1.054 23 HA THR 436 HA THR 436 1.700 3.514 -3.937 24 HB THR 436 HB THR 436 3.867 2.377 -2.155 25 HG1 THR 436 HG1 THR 436 3.568 4.779 -3.590 26 HG21 THR 436 HG21 THR 436 5.099 1.965 -4.245 27 HG22 THR 436 HG22 THR 436 3.704 2.510 -5.174 28 HG23 THR 436 HG23 THR 436 3.595 1.044 -4.196 29 H GLU 437 HN GLU 437 -0.170 2.235 -4.109 30 HA GLU 437 HA GLU 437 0.104 -0.507 -3.198 31 HB2 GLU 437 HB2 GLU 437 -2.075 -0.872 -4.405 32 HB3 GLU 437 HB1 GLU 437 -2.137 0.241 -3.051 33 HG2 GLU 437 HG2 GLU 437 -2.400 2.096 -4.430 34 HG3 GLU 437 HG1 GLU 437 -1.815 1.234 -5.854 35 H ARG 438 HN ARG 438 1.821 -1.289 -4.268 36 HA ARG 438 HA ARG 438 1.778 -1.154 -7.184 37 HB2 ARG 438 HB2 ARG 438 3.903 -0.545 -6.227 38 HB3 ARG 438 HB1 ARG 438 3.947 -2.017 -5.265 39 HG2 ARG 438 HG2 ARG 438 4.309 -3.364 -7.167 40 HG3 ARG 438 HG1 ARG 438 3.901 -2.048 -8.268 41 HD2 ARG 438 HD2 ARG 438 6.256 -2.006 -6.396 42 HD3 ARG 438 HD1 ARG 438 6.342 -2.538 -8.075 43 HE ARG 438 HE ARG 438 5.239 -0.098 -8.320 44 HH11 ARG 438 HH11 ARG 438 8.002 -1.200 -6.481 45 HH12 ARG 438 HH12 ARG 438 8.887 0.288 -6.657 46 HH21 ARG 438 HH21 ARG 438 6.396 1.851 -8.599 47 HH22 ARG 438 HH22 ARG 438 7.981 2.023 -7.897 48 H LYS 439 HN LYS 439 0.835 -2.701 -8.210 49 HA LYS 439 HA LYS 439 0.431 -5.262 -6.922 50 HB2 LYS 439 HB2 LYS 439 -1.054 -5.721 -8.876 51 HB3 LYS 439 HB1 LYS 439 -1.528 -4.324 -7.925 52 HG2 LYS 439 HG2 LYS 439 -0.319 -2.902 -9.620 53 HG3 LYS 439 HG1 LYS 439 -0.192 -4.352 -10.616 54 HD2 LYS 439 HD2 LYS 439 -2.738 -3.058 -9.644 55 HD3 LYS 439 HD1 LYS 439 -2.113 -3.036 -11.293 56 HE2 LYS 439 HE2 LYS 439 -2.310 -5.490 -11.369 57 HE3 LYS 439 HE1 LYS 439 -3.003 -5.467 -9.749 58 HZ1 LYS 439 HZ1 LYS 439 -4.756 -5.589 -11.341 59 HZ2 LYS 439 HZ2 LYS 439 -4.159 -4.254 -12.197 60 HZ3 LYS 439 HZ3 LYS 439 -4.800 -4.046 -10.640 61 H THR 440 HN THR 440 2.206 -6.439 -6.976 62 HA THR 440 HA THR 440 3.804 -6.582 -9.401 63 HB THR 440 HB THR 440 5.104 -6.485 -7.410 64 HG1 THR 440 HG1 THR 440 5.798 -8.953 -7.411 65 HG21 THR 440 HG21 THR 440 3.532 -8.850 -6.385 66 HG22 THR 440 HG22 THR 440 3.405 -7.189 -5.804 67 HG23 THR 440 HG23 THR 440 4.903 -8.089 -5.574 68 H ALA 441 HN ALA 441 4.211 -8.462 -10.566 69 HA ALA 441 HA ALA 441 1.918 -10.062 -11.038 70 HB1 ALA 441 HB1 ALA 441 3.283 -11.168 -12.724 71 HB2 ALA 441 HB2 ALA 441 4.728 -10.398 -12.069 72 HB3 ALA 441 HB3 ALA 441 3.465 -9.416 -12.809 73 H ASP 442 HN ASP 442 4.236 -10.294 -8.688 74 HA ASP 442 HA ASP 442 4.377 -13.133 -8.390 75 HB2 ASP 442 HB2 ASP 442 6.035 -11.582 -7.396 76 HB3 ASP 442 HB1 ASP 442 4.786 -10.938 -6.339 77 H GLY 443 HN GLY 443 1.902 -10.947 -8.109 78 HA2 GLY 443 HA2 GLY 443 -0.329 -11.523 -7.704 79 HA3 GLY 443 HA1 GLY 443 0.217 -12.936 -6.817 80 H LYS 444 HN LYS 444 1.557 -9.794 -6.141 81 HA LYS 444 HA LYS 444 -0.079 -9.701 -3.693 82 HB2 LYS 444 HB2 LYS 444 2.889 -9.188 -3.918 83 HB3 LYS 444 HB1 LYS 444 1.924 -8.828 -2.497 84 HG2 LYS 444 HG2 LYS 444 1.426 -11.156 -2.182 85 HG3 LYS 444 HG1 LYS 444 2.247 -11.572 -3.690 86 HD2 LYS 444 HD2 LYS 444 4.360 -10.770 -2.762 87 HD3 LYS 444 HD1 LYS 444 3.541 -10.325 -1.264 88 HE2 LYS 444 HE2 LYS 444 4.743 -12.471 -1.095 89 HE3 LYS 444 HE1 LYS 444 3.008 -12.634 -0.818 90 HZ1 LYS 444 HZ1 LYS 444 2.707 -13.582 -2.939 91 HZ2 LYS 444 HZ2 LYS 444 4.066 -14.360 -2.285 92 HZ3 LYS 444 HZ3 LYS 444 4.265 -13.149 -3.458 93 H THR 445 HN THR 445 -1.179 -7.854 -3.518 94 HA THR 445 HA THR 445 -0.081 -5.448 -4.773 95 HB THR 445 HB THR 445 -2.697 -5.402 -3.338 96 HG1 THR 445 HG1 THR 445 -3.196 -7.119 -4.585 97 HG21 THR 445 HG21 THR 445 -3.268 -3.810 -5.080 98 HG22 THR 445 HG22 THR 445 -1.763 -4.161 -5.933 99 HG23 THR 445 HG23 THR 445 -1.722 -3.368 -4.357 100 H TYR 446 HN TYR 446 1.573 -4.955 -3.338 101 HA TYR 446 HA TYR 446 0.880 -4.841 -0.522 102 HB2 TYR 446 HB2 TYR 446 3.217 -4.456 -0.073 103 HB3 TYR 446 HB1 TYR 446 3.024 -5.858 -1.098 104 HD1 TYR 446 HD1 TYR 446 3.588 -5.618 -3.580 105 HD2 TYR 446 HD2 TYR 446 4.565 -2.661 -0.680 106 HE1 TYR 446 HE1 TYR 446 5.289 -4.693 -5.098 107 HE2 TYR 446 HE2 TYR 446 6.259 -1.725 -2.189 108 HH TYR 446 HH TYR 446 7.683 -2.600 -4.103 109 H TYR 447 HN TYR 447 0.727 -3.092 0.658 110 HA TYR 447 HA TYR 447 0.849 -0.548 -0.762 111 HB2 TYR 447 HB2 TYR 447 -0.648 -1.434 1.696 112 HB3 TYR 447 HB1 TYR 447 -0.480 0.264 1.267 113 HD1 TYR 447 HD2 TYR 447 -1.551 -2.976 -0.356 114 HD2 TYR 447 HD1 TYR 447 -2.168 1.223 0.064 115 HE1 TYR 447 HE2 TYR 447 -3.516 -3.118 -1.824 116 HE2 TYR 447 HE1 TYR 447 -4.127 1.078 -1.404 117 HH TYR 447 HH TYR 447 -4.971 -0.396 -3.206 118 H TYR 448 HN TYR 448 3.027 -0.165 -0.625 119 HA TYR 448 HA TYR 448 4.212 0.222 1.973 120 HB2 TYR 448 HB2 TYR 448 5.828 -0.383 0.404 121 HB3 TYR 448 HB1 TYR 448 5.095 0.583 -0.870 122 HD1 TYR 448 HD1 TYR 448 6.506 1.302 2.534 123 HD2 TYR 448 HD2 TYR 448 6.439 2.273 -1.608 124 HE1 TYR 448 HE1 TYR 448 8.121 3.107 2.936 125 HE2 TYR 448 HE2 TYR 448 8.059 4.080 -1.219 126 HH TYR 448 HH TYR 448 8.889 5.467 0.523 127 H ASN 449 HN ASN 449 3.974 1.903 3.147 128 HA ASN 449 HA ASN 449 2.478 4.200 2.176 129 HB2 ASN 449 HB2 ASN 449 1.474 3.420 4.095 130 HB3 ASN 449 HB1 ASN 449 2.998 2.910 4.810 131 HD21 ASN 449 HD21 ASN 449 0.953 5.664 4.127 132 HD22 ASN 449 HD22 ASN 449 1.589 6.672 5.377 133 H ASN 450 HN ASN 450 3.221 6.232 2.090 134 HA ASN 450 HA ASN 450 6.046 6.675 2.761 135 HB2 ASN 450 HB2 ASN 450 5.192 7.135 0.434 136 HB3 ASN 450 HB1 ASN 450 4.215 8.432 1.114 137 HD21 ASN 450 HD21 ASN 450 7.480 7.567 2.113 138 HD22 ASN 450 HD22 ASN 450 8.220 9.030 1.578 139 H ARG 451 HN ARG 451 3.056 7.146 4.142 140 HA ARG 451 HA ARG 451 3.375 9.819 5.064 141 HB2 ARG 451 HB2 ARG 451 1.400 7.692 5.660 142 HB3 ARG 451 HB1 ARG 451 1.508 9.098 6.717 143 HG2 ARG 451 HG2 ARG 451 1.071 10.585 4.892 144 HG3 ARG 451 HG1 ARG 451 1.139 9.257 3.734 145 HD2 ARG 451 HD2 ARG 451 -1.158 9.945 4.235 146 HD3 ARG 451 HD1 ARG 451 -0.847 8.274 4.701 147 HE ARG 451 HE ARG 451 -0.391 9.803 6.964 148 HH11 ARG 451 HH11 ARG 451 -3.064 9.209 4.789 149 HH12 ARG 451 HH12 ARG 451 -4.279 9.348 6.018 150 HH21 ARG 451 HH21 ARG 451 -1.961 10.038 8.585 151 HH22 ARG 451 HH22 ARG 451 -3.649 9.867 8.195 152 H THR 452 HN THR 452 3.740 6.669 6.672 153 HA THR 452 HA THR 452 5.328 8.056 8.736 154 HB THR 452 HB THR 452 4.339 5.421 9.503 155 HG1 THR 452 HG1 THR 452 2.282 5.680 9.135 156 HG21 THR 452 HG21 THR 452 3.677 6.649 11.527 157 HG22 THR 452 HG22 THR 452 4.073 8.169 10.725 158 HG23 THR 452 HG23 THR 452 5.344 6.995 11.069 159 H LEU 453 HN LEU 453 5.653 6.227 6.088 160 HA LEU 453 HA LEU 453 7.093 4.694 5.253 161 HB2 LEU 453 HB2 LEU 453 8.620 5.637 7.648 162 HB3 LEU 453 HB1 LEU 453 9.181 4.210 6.806 163 HG LEU 453 HG LEU 453 10.250 6.451 6.180 164 HD11 LEU 453 HD11 LEU 453 10.155 4.218 4.837 165 HD12 LEU 453 HD12 LEU 453 10.733 5.695 4.068 166 HD13 LEU 453 HD13 LEU 453 9.089 5.139 3.774 167 HD21 LEU 453 HD21 LEU 453 9.107 7.836 4.596 168 HD22 LEU 453 HD22 LEU 453 8.087 7.684 6.029 169 HD23 LEU 453 HD23 LEU 453 7.719 6.744 4.577 170 H GLU 454 HN GLU 454 5.235 3.325 5.672 171 HA GLU 454 HA GLU 454 5.861 1.176 7.580 172 HB2 GLU 454 HB2 GLU 454 3.120 2.357 7.076 173 HB3 GLU 454 HB1 GLU 454 3.458 0.960 8.085 174 HG2 GLU 454 HG2 GLU 454 4.757 2.390 9.598 175 HG3 GLU 454 HG1 GLU 454 4.366 3.783 8.589 176 H SER 455 HN SER 455 5.688 -0.832 6.705 177 HA SER 455 HA SER 455 4.509 -1.056 4.051 178 HB2 SER 455 HB2 SER 455 5.382 -3.466 4.276 179 HB3 SER 455 HB1 SER 455 6.586 -2.183 4.171 180 HG SER 455 HG SER 455 7.199 -2.578 6.157 181 H THR 456 HN THR 456 2.400 -1.535 3.866 182 HA THR 456 HA THR 456 1.190 -3.154 5.995 183 HB THR 456 HB THR 456 0.476 -0.928 6.526 184 HG1 THR 456 HG1 THR 456 -1.906 -1.304 5.585 185 HG21 THR 456 HG21 THR 456 -0.692 0.530 4.976 186 HG22 THR 456 HG22 THR 456 -0.525 -0.664 3.692 187 HG23 THR 456 HG23 THR 456 0.906 0.135 4.343 188 H TRP 457 HN TRP 457 -0.048 -4.758 5.317 189 HA TRP 457 HA TRP 457 -0.355 -4.971 2.406 190 HB2 TRP 457 HB2 TRP 457 0.386 -7.108 4.435 191 HB3 TRP 457 HB1 TRP 457 0.053 -7.432 2.728 192 HD1 TRP 457 HD1 TRP 457 2.316 -4.915 4.644 193 HE1 TRP 457 HE1 TRP 457 4.538 -4.691 3.395 194 HE3 TRP 457 HE3 TRP 457 1.479 -8.279 0.874 195 HZ2 TRP 457 HZ2 TRP 457 5.766 -5.726 1.123 196 HZ3 TRP 457 HZ3 TRP 457 3.269 -8.629 -0.785 197 HH2 TRP 457 HH2 TRP 457 5.379 -7.395 -0.654 198 H GLU 458 HN GLU 458 -2.033 -4.163 4.827 199 HA GLU 458 HA GLU 458 -4.459 -5.466 3.798 200 HB2 GLU 458 HB2 GLU 458 -4.048 -4.202 6.521 201 HB3 GLU 458 HB1 GLU 458 -5.541 -4.925 5.934 202 HG2 GLU 458 HG2 GLU 458 -4.265 -7.078 5.684 203 HG3 GLU 458 HG1 GLU 458 -2.947 -6.302 6.559 204 H LYS 459 HN LYS 459 -5.931 -4.125 2.890 205 HA LYS 459 HA LYS 459 -4.962 -1.727 1.828 206 HB2 LYS 459 HB2 LYS 459 -7.832 -2.647 1.938 207 HB3 LYS 459 HB1 LYS 459 -7.149 -1.489 0.806 208 HG2 LYS 459 HG2 LYS 459 -5.748 -3.237 -0.156 209 HG3 LYS 459 HG1 LYS 459 -6.408 -4.402 0.996 210 HD2 LYS 459 HD2 LYS 459 -8.677 -3.915 0.063 211 HD3 LYS 459 HD1 LYS 459 -7.895 -2.939 -1.182 212 HE2 LYS 459 HE2 LYS 459 -6.645 -4.900 -1.938 213 HE3 LYS 459 HE1 LYS 459 -7.407 -5.875 -0.680 214 HZ1 LYS 459 HZ1 LYS 459 -8.580 -6.263 -2.688 215 HZ2 LYS 459 HZ2 LYS 459 -8.715 -4.607 -3.021 216 HZ3 LYS 459 HZ3 LYS 459 -9.583 -5.285 -1.731 217 HA PRO 460 HA PRO 460 -6.030 1.228 5.076 218 HB2 PRO 460 HB2 PRO 460 -5.397 3.139 2.909 219 HB3 PRO 460 HB1 PRO 460 -4.718 3.019 4.536 220 HG2 PRO 460 HG2 PRO 460 -3.303 2.291 2.383 221 HG3 PRO 460 HG1 PRO 460 -3.176 1.410 3.916 222 HD2 PRO 460 HD2 PRO 460 -4.670 0.676 1.431 223 HD3 PRO 460 HD1 PRO 460 -3.727 -0.353 2.529 224 H GLN 461 HN GLN 461 -8.045 1.806 5.498 225 HA GLN 461 HA GLN 461 -10.052 1.694 3.470 226 HB2 GLN 461 HB2 GLN 461 -10.348 0.906 5.813 227 HB3 GLN 461 HB1 GLN 461 -10.304 2.578 6.350 228 HG2 GLN 461 HG2 GLN 461 -12.320 3.039 5.020 229 HG3 GLN 461 HG1 GLN 461 -12.369 1.342 4.541 230 HE21 GLN 461 HE21 GLN 461 -14.380 1.014 5.494 231 HE22 GLN 461 HE22 GLN 461 -14.585 0.940 7.209 232 H GLU 462 HN GLU 462 -8.022 4.212 4.395 233 HA GLU 462 HA GLU 462 -10.007 6.300 4.046 234 HB2 GLU 462 HB2 GLU 462 -8.300 7.867 4.615 235 HB3 GLU 462 HB1 GLU 462 -8.162 6.512 5.724 236 HG2 GLU 462 HG2 GLU 462 -6.108 5.943 4.980 237 HG3 GLU 462 HG1 GLU 462 -6.494 6.341 3.305 238 H LEU 463 HN LEU 463 -8.169 4.432 1.988 239 HA LEU 463 HA LEU 463 -7.410 6.571 0.179 240 HB2 LEU 463 HB2 LEU 463 -6.183 4.283 0.715 241 HB3 LEU 463 HB1 LEU 463 -7.216 3.686 -0.569 242 HG LEU 463 HG LEU 463 -5.174 5.904 -0.819 243 HD11 LEU 463 HD11 LEU 463 -3.951 4.350 -2.203 244 HD12 LEU 463 HD12 LEU 463 -5.209 3.133 -1.989 245 HD13 LEU 463 HD13 LEU 463 -4.233 3.645 -0.611 246 HD21 LEU 463 HD21 LEU 463 -6.984 4.692 -2.901 247 HD22 LEU 463 HD22 LEU 463 -5.648 5.795 -3.230 248 HD23 LEU 463 HD23 LEU 463 -7.039 6.348 -2.295 249 H LYS 464 HN LYS 464 -9.510 3.693 0.026 250 HA LYS 464 HA LYS 464 -10.588 4.694 -2.505 251 HB2 LYS 464 HB2 LYS 464 -10.863 1.955 -1.250 252 HB3 LYS 464 HB1 LYS 464 -11.398 2.417 -2.860 253 HG2 LYS 464 HG2 LYS 464 -9.106 2.793 -3.546 254 HG3 LYS 464 HG1 LYS 464 -8.537 2.434 -1.916 255 HD2 LYS 464 HD2 LYS 464 -9.531 0.156 -2.152 256 HD3 LYS 464 HD1 LYS 464 -9.890 0.543 -3.837 257 HE2 LYS 464 HE2 LYS 464 -7.136 0.596 -2.605 258 HE3 LYS 464 HE1 LYS 464 -7.790 -0.748 -3.537 259 HZ1 LYS 464 HZ1 LYS 464 -6.342 0.793 -4.815 260 HZ2 LYS 464 HZ2 LYS 464 -7.507 2.009 -4.609 261 HZ3 LYS 464 HZ3 LYS 464 -7.896 0.604 -5.471 Start of MODEL 14 1 H SER 433 HT1 SER 433 -3.167 8.501 -1.804 2 HA SER 433 HA SER 433 -2.997 9.096 -4.081 3 HB2 SER 433 HB2 SER 433 -4.128 11.337 -3.717 4 HB3 SER 433 HB1 SER 433 -2.577 11.947 -3.149 5 HG SER 433 HG SER 433 -2.717 12.442 -5.302 6 H GLU 434 HN GLU 434 -1.350 9.323 -1.235 7 HA GLU 434 HA GLU 434 1.263 9.516 -2.580 8 HB2 GLU 434 HB2 GLU 434 1.762 9.824 0.124 9 HB3 GLU 434 HB1 GLU 434 1.705 11.106 -1.074 10 HG2 GLU 434 HG2 GLU 434 0.366 11.634 0.899 11 HG3 GLU 434 HG1 GLU 434 -0.620 11.537 -0.556 12 H TRP 435 HN TRP 435 -0.761 7.235 -1.710 13 HA TRP 435 HA TRP 435 1.088 5.548 -0.217 14 HB2 TRP 435 HB2 TRP 435 -1.699 4.978 -1.287 15 HB3 TRP 435 HB1 TRP 435 -0.744 3.846 -0.339 16 HD1 TRP 435 HD1 TRP 435 -3.076 6.775 -0.004 17 HE1 TRP 435 HE1 TRP 435 -3.438 7.327 2.488 18 HE3 TRP 435 HE3 TRP 435 0.524 3.760 2.022 19 HZ2 TRP 435 HZ2 TRP 435 -2.326 6.578 4.977 20 HZ3 TRP 435 HZ3 TRP 435 0.820 3.752 4.464 21 HH2 TRP 435 HH2 TRP 435 -0.556 5.144 5.911 22 H THR 436 HN THR 436 2.339 4.009 -1.151 23 HA THR 436 HA THR 436 2.323 3.912 -4.055 24 HB THR 436 HB THR 436 4.219 2.616 -2.082 25 HG1 THR 436 HG1 THR 436 4.685 4.735 -2.014 26 HG21 THR 436 HG21 THR 436 5.657 2.193 -4.033 27 HG22 THR 436 HG22 THR 436 4.411 2.848 -5.095 28 HG23 THR 436 HG23 THR 436 4.105 1.362 -4.192 29 H GLU 437 HN GLU 437 0.595 2.749 -4.607 30 HA GLU 437 HA GLU 437 0.305 0.029 -3.631 31 HB2 GLU 437 HB2 GLU 437 -1.693 1.496 -4.101 32 HB3 GLU 437 HB1 GLU 437 -1.252 1.470 -5.801 33 HG2 GLU 437 HG2 GLU 437 -1.638 -1.126 -4.411 34 HG3 GLU 437 HG1 GLU 437 -3.061 -0.162 -4.792 35 H ARG 438 HN ARG 438 2.136 -0.944 -4.319 36 HA ARG 438 HA ARG 438 2.659 -0.922 -7.209 37 HB2 ARG 438 HB2 ARG 438 4.482 -0.254 -5.553 38 HB3 ARG 438 HB1 ARG 438 4.507 -1.936 -5.049 39 HG2 ARG 438 HG2 ARG 438 5.263 -2.656 -7.174 40 HG3 ARG 438 HG1 ARG 438 4.965 -1.069 -7.890 41 HD2 ARG 438 HD2 ARG 438 6.684 -0.101 -6.437 42 HD3 ARG 438 HD1 ARG 438 6.983 -1.691 -5.735 43 HE ARG 438 HE ARG 438 7.427 -1.136 -8.601 44 HH11 ARG 438 HH11 ARG 438 8.467 -2.449 -5.529 45 HH12 ARG 438 HH12 ARG 438 9.996 -3.012 -6.133 46 HH21 ARG 438 HH21 ARG 438 9.452 -1.880 -9.409 47 HH22 ARG 438 HH22 ARG 438 10.551 -2.682 -8.327 48 H LYS 439 HN LYS 439 1.636 -2.491 -8.157 49 HA LYS 439 HA LYS 439 0.823 -4.821 -6.642 50 HB2 LYS 439 HB2 LYS 439 -0.682 -3.364 -8.138 51 HB3 LYS 439 HB1 LYS 439 0.083 -4.188 -9.488 52 HG2 LYS 439 HG2 LYS 439 -0.821 -6.268 -8.867 53 HG3 LYS 439 HG1 LYS 439 -1.294 -5.672 -7.272 54 HD2 LYS 439 HD2 LYS 439 -2.445 -4.817 -9.928 55 HD3 LYS 439 HD1 LYS 439 -3.249 -5.806 -8.704 56 HE2 LYS 439 HE2 LYS 439 -3.222 -3.966 -7.143 57 HE3 LYS 439 HE1 LYS 439 -2.288 -2.980 -8.266 58 HZ1 LYS 439 HZ1 LYS 439 -4.178 -3.079 -9.812 59 HZ2 LYS 439 HZ2 LYS 439 -4.575 -2.338 -8.343 60 HZ3 LYS 439 HZ3 LYS 439 -5.076 -3.929 -8.646 61 H THR 440 HN THR 440 2.486 -6.200 -6.502 62 HA THR 440 HA THR 440 3.940 -6.952 -8.899 63 HB THR 440 HB THR 440 4.980 -8.651 -7.223 64 HG1 THR 440 HG1 THR 440 3.135 -7.729 -5.677 65 HG21 THR 440 HG21 THR 440 5.387 -5.668 -7.002 66 HG22 THR 440 HG22 THR 440 6.217 -6.775 -8.094 67 HG23 THR 440 HG23 THR 440 6.494 -6.879 -6.354 68 H ALA 441 HN ALA 441 3.770 -8.824 -9.996 69 HA ALA 441 HA ALA 441 1.175 -10.031 -9.917 70 HB1 ALA 441 HB1 ALA 441 1.843 -11.157 -11.949 71 HB2 ALA 441 HB2 ALA 441 3.523 -10.684 -11.690 72 HB3 ALA 441 HB3 ALA 441 2.301 -9.456 -12.019 73 H ASP 442 HN ASP 442 3.468 -10.637 -7.861 74 HA ASP 442 HA ASP 442 3.548 -13.529 -8.010 75 HB2 ASP 442 HB2 ASP 442 5.423 -12.102 -7.073 76 HB3 ASP 442 HB1 ASP 442 4.380 -11.758 -5.698 77 H GLY 443 HN GLY 443 1.194 -11.448 -7.394 78 HA2 GLY 443 HA2 GLY 443 -0.958 -12.015 -6.666 79 HA3 GLY 443 HA1 GLY 443 -0.278 -13.379 -5.789 80 H LYS 444 HN LYS 444 0.868 -10.058 -5.578 81 HA LYS 444 HA LYS 444 -0.438 -9.686 -3.021 82 HB2 LYS 444 HB2 LYS 444 1.642 -9.300 -1.788 83 HB3 LYS 444 HB1 LYS 444 1.561 -10.944 -2.398 84 HG2 LYS 444 HG2 LYS 444 3.076 -10.361 -4.213 85 HG3 LYS 444 HG1 LYS 444 3.131 -8.694 -3.637 86 HD2 LYS 444 HD2 LYS 444 4.935 -9.342 -2.483 87 HD3 LYS 444 HD1 LYS 444 3.786 -10.115 -1.390 88 HE2 LYS 444 HE2 LYS 444 5.105 -11.429 -3.760 89 HE3 LYS 444 HE1 LYS 444 5.595 -11.627 -2.079 90 HZ1 LYS 444 HZ1 LYS 444 2.867 -12.288 -3.004 91 HZ2 LYS 444 HZ2 LYS 444 3.638 -12.775 -1.575 92 HZ3 LYS 444 HZ3 LYS 444 4.133 -13.409 -3.076 93 H THR 445 HN THR 445 -1.062 -7.647 -2.854 94 HA THR 445 HA THR 445 0.394 -5.556 -4.325 95 HB THR 445 HB THR 445 -2.188 -5.070 -2.861 96 HG1 THR 445 HG1 THR 445 -2.429 -6.932 -4.318 97 HG21 THR 445 HG21 THR 445 -2.477 -3.388 -4.614 98 HG22 THR 445 HG22 THR 445 -0.971 -3.911 -5.370 99 HG23 THR 445 HG23 THR 445 -0.945 -3.173 -3.767 100 H TYR 446 HN TYR 446 1.629 -4.133 -3.192 101 HA TYR 446 HA TYR 446 1.127 -4.016 -0.295 102 HB2 TYR 446 HB2 TYR 446 3.563 -3.458 -0.044 103 HB3 TYR 446 HB1 TYR 446 3.192 -5.115 -0.483 104 HD1 TYR 446 HD2 TYR 446 3.770 -5.973 -2.678 105 HD2 TYR 446 HD1 TYR 446 4.763 -1.989 -1.567 106 HE1 TYR 446 HE2 TYR 446 5.384 -5.871 -4.518 107 HE2 TYR 446 HE1 TYR 446 6.389 -1.879 -3.412 108 HH TYR 446 HH TYR 446 6.556 -4.315 -5.856 109 H TYR 447 HN TYR 447 0.855 -2.121 0.605 110 HA TYR 447 HA TYR 447 1.281 0.247 -1.081 111 HB2 TYR 447 HB2 TYR 447 -0.495 -0.075 1.349 112 HB3 TYR 447 HB1 TYR 447 -0.349 1.376 0.372 113 HD1 TYR 447 HD2 TYR 447 -1.155 -2.278 -0.173 114 HD2 TYR 447 HD1 TYR 447 -2.063 1.789 -1.073 115 HE1 TYR 447 HE2 TYR 447 -3.052 -3.009 -1.543 116 HE2 TYR 447 HE1 TYR 447 -3.963 1.057 -2.445 117 HH TYR 447 HH TYR 447 -4.672 -0.972 -3.684 118 H TYR 448 HN TYR 448 3.553 0.328 -0.528 119 HA TYR 448 HA TYR 448 4.188 1.160 2.184 120 HB2 TYR 448 HB2 TYR 448 5.902 -0.089 1.149 121 HB3 TYR 448 HB1 TYR 448 5.808 0.857 -0.330 122 HD1 TYR 448 HD1 TYR 448 6.411 1.617 3.320 123 HD2 TYR 448 HD2 TYR 448 7.655 2.133 -0.722 124 HE1 TYR 448 HE1 TYR 448 8.296 3.029 4.084 125 HE2 TYR 448 HE2 TYR 448 9.525 3.534 0.026 126 HH TYR 448 HH TYR 448 10.474 3.750 3.299 127 H ASN 449 HN ASN 449 4.262 3.075 2.979 128 HA ASN 449 HA ASN 449 4.507 5.435 1.252 129 HB2 ASN 449 HB2 ASN 449 2.076 4.968 1.804 130 HB3 ASN 449 HB1 ASN 449 2.484 5.207 3.493 131 HD21 ASN 449 HD21 ASN 449 0.564 6.641 1.974 132 HD22 ASN 449 HD22 ASN 449 1.043 8.302 1.954 133 H ASN 450 HN ASN 450 5.387 7.239 2.361 134 HA ASN 450 HA ASN 450 7.139 6.463 4.548 135 HB2 ASN 450 HB2 ASN 450 7.028 8.956 2.833 136 HB3 ASN 450 HB1 ASN 450 8.209 8.683 4.111 137 HD21 ASN 450 HD21 ASN 450 9.893 7.275 3.773 138 HD22 ASN 450 HD22 ASN 450 10.235 6.570 2.228 139 H ARG 451 HN ARG 451 4.120 7.737 4.172 140 HA ARG 451 HA ARG 451 4.014 9.537 6.349 141 HB2 ARG 451 HB2 ARG 451 2.007 7.990 4.831 142 HB3 ARG 451 HB1 ARG 451 1.532 8.588 6.417 143 HG2 ARG 451 HG2 ARG 451 2.115 10.863 5.734 144 HG3 ARG 451 HG1 ARG 451 2.585 10.260 4.142 145 HD2 ARG 451 HD2 ARG 451 0.297 11.255 4.252 146 HD3 ARG 451 HD1 ARG 451 0.355 9.599 3.651 147 HE ARG 451 HE ARG 451 -0.194 9.941 6.487 148 HH11 ARG 451 HH11 ARG 451 -1.437 9.406 3.263 149 HH12 ARG 451 HH12 ARG 451 -2.948 8.731 3.827 150 HH21 ARG 451 HH21 ARG 451 -2.169 9.010 7.227 151 HH22 ARG 451 HH22 ARG 451 -3.351 8.482 6.063 152 H THR 452 HN THR 452 3.929 6.073 6.154 153 HA THR 452 HA THR 452 3.904 5.975 9.093 154 HB THR 452 HB THR 452 3.106 3.572 8.718 155 HG1 THR 452 HG1 THR 452 2.183 3.150 6.713 156 HG21 THR 452 HG21 THR 452 1.629 5.335 9.557 157 HG22 THR 452 HG22 THR 452 0.762 4.267 8.451 158 HG23 THR 452 HG23 THR 452 1.297 5.856 7.904 159 H LEU 453 HN LEU 453 5.756 5.446 6.320 160 HA LEU 453 HA LEU 453 7.552 4.207 5.735 161 HB2 LEU 453 HB2 LEU 453 7.939 4.527 8.661 162 HB3 LEU 453 HB1 LEU 453 8.911 3.313 7.852 163 HG LEU 453 HG LEU 453 10.075 5.482 8.059 164 HD11 LEU 453 HD11 LEU 453 10.362 3.814 6.125 165 HD12 LEU 453 HD12 LEU 453 10.994 5.445 5.911 166 HD13 LEU 453 HD13 LEU 453 9.464 4.987 5.162 167 HD21 LEU 453 HD21 LEU 453 9.351 7.373 6.736 168 HD22 LEU 453 HD22 LEU 453 8.072 6.911 7.862 169 HD23 LEU 453 HD23 LEU 453 7.957 6.458 6.154 170 H GLU 454 HN GLU 454 5.022 2.989 6.044 171 HA GLU 454 HA GLU 454 5.799 0.258 6.846 172 HB2 GLU 454 HB2 GLU 454 3.102 1.583 7.152 173 HB3 GLU 454 HB1 GLU 454 3.420 -0.117 7.458 174 HG2 GLU 454 HG2 GLU 454 5.030 0.559 9.218 175 HG3 GLU 454 HG1 GLU 454 4.546 2.236 8.949 176 H SER 455 HN SER 455 5.607 -1.244 5.344 177 HA SER 455 HA SER 455 3.995 -0.741 2.982 178 HB2 SER 455 HB2 SER 455 6.267 -1.889 2.900 179 HB3 SER 455 HB1 SER 455 5.489 -3.267 3.683 180 HG SER 455 HG SER 455 4.130 -3.470 1.907 181 H THR 456 HN THR 456 1.904 -1.012 3.174 182 HA THR 456 HA THR 456 0.882 -2.864 5.174 183 HB THR 456 HB THR 456 -1.350 -1.843 4.578 184 HG1 THR 456 HG1 THR 456 0.330 -0.073 3.091 185 HG21 THR 456 HG21 THR 456 -0.839 0.326 5.693 186 HG22 THR 456 HG22 THR 456 0.876 -0.053 5.544 187 HG23 THR 456 HG23 THR 456 -0.171 -1.076 6.526 188 H TRP 457 HN TRP 457 0.177 -4.804 4.691 189 HA TRP 457 HA TRP 457 -0.197 -5.482 1.857 190 HB2 TRP 457 HB2 TRP 457 0.572 -7.282 4.185 191 HB3 TRP 457 HB1 TRP 457 0.454 -7.774 2.488 192 HD1 TRP 457 HD1 TRP 457 2.499 -5.391 4.730 193 HE1 TRP 457 HE1 TRP 457 4.728 -4.861 3.575 194 HE3 TRP 457 HE3 TRP 457 1.805 -8.004 0.388 195 HZ2 TRP 457 HZ2 TRP 457 6.002 -5.402 1.134 196 HZ3 TRP 457 HZ3 TRP 457 3.606 -7.981 -1.287 197 HH2 TRP 457 HH2 TRP 457 5.672 -6.731 -0.915 198 H GLU 458 HN GLU 458 -1.801 -4.794 4.591 199 HA GLU 458 HA GLU 458 -4.249 -6.022 3.524 200 HB2 GLU 458 HB2 GLU 458 -3.423 -6.029 6.117 201 HB3 GLU 458 HB1 GLU 458 -4.319 -4.516 6.088 202 HG2 GLU 458 HG2 GLU 458 -5.422 -7.200 5.287 203 HG3 GLU 458 HG1 GLU 458 -5.671 -6.420 6.846 204 H LYS 459 HN LYS 459 -5.798 -4.619 2.719 205 HA LYS 459 HA LYS 459 -4.697 -2.295 1.560 206 HB2 LYS 459 HB2 LYS 459 -7.531 -3.313 1.644 207 HB3 LYS 459 HB1 LYS 459 -7.005 -1.949 0.664 208 HG2 LYS 459 HG2 LYS 459 -5.479 -3.399 -0.556 209 HG3 LYS 459 HG1 LYS 459 -5.967 -4.768 0.444 210 HD2 LYS 459 HD2 LYS 459 -7.130 -4.888 -1.654 211 HD3 LYS 459 HD1 LYS 459 -8.285 -4.488 -0.386 212 HE2 LYS 459 HE2 LYS 459 -6.993 -2.381 -2.099 213 HE3 LYS 459 HE1 LYS 459 -8.457 -3.222 -2.599 214 HZ1 LYS 459 HZ1 LYS 459 -9.540 -2.432 -0.564 215 HZ2 LYS 459 HZ2 LYS 459 -9.004 -1.148 -1.537 216 HZ3 LYS 459 HZ3 LYS 459 -8.138 -1.578 -0.149 217 HA PRO 460 HA PRO 460 -5.605 0.765 4.755 218 HB2 PRO 460 HB2 PRO 460 -4.955 2.574 2.497 219 HB3 PRO 460 HB1 PRO 460 -4.263 2.514 4.120 220 HG2 PRO 460 HG2 PRO 460 -2.886 1.650 2.003 221 HG3 PRO 460 HG1 PRO 460 -2.779 0.831 3.573 222 HD2 PRO 460 HD2 PRO 460 -4.297 0.034 1.115 223 HD3 PRO 460 HD1 PRO 460 -3.396 -0.979 2.263 224 H GLN 461 HN GLN 461 -7.463 1.862 5.172 225 HA GLN 461 HA GLN 461 -9.540 1.556 3.161 226 HB2 GLN 461 HB2 GLN 461 -9.783 0.834 5.592 227 HB3 GLN 461 HB1 GLN 461 -9.908 2.544 5.982 228 HG2 GLN 461 HG2 GLN 461 -11.850 2.718 4.481 229 HG3 GLN 461 HG1 GLN 461 -11.745 0.985 4.179 230 HE21 GLN 461 HE21 GLN 461 -10.944 0.508 7.004 231 HE22 GLN 461 HE22 GLN 461 -12.411 0.635 7.909 232 H GLU 462 HN GLU 462 -7.543 4.063 4.377 233 HA GLU 462 HA GLU 462 -9.433 6.184 4.021 234 HB2 GLU 462 HB2 GLU 462 -7.605 7.707 4.389 235 HB3 GLU 462 HB1 GLU 462 -7.492 6.385 5.543 236 HG2 GLU 462 HG2 GLU 462 -5.622 5.483 4.524 237 HG3 GLU 462 HG1 GLU 462 -5.943 6.292 2.988 238 H LEU 463 HN LEU 463 -7.697 4.317 1.843 239 HA LEU 463 HA LEU 463 -7.270 6.428 -0.096 240 HB2 LEU 463 HB2 LEU 463 -5.677 4.495 0.302 241 HB3 LEU 463 HB1 LEU 463 -6.856 3.467 -0.490 242 HG LEU 463 HG LEU 463 -6.647 4.833 -2.542 243 HD11 LEU 463 HD11 LEU 463 -4.457 6.239 -1.019 244 HD12 LEU 463 HD12 LEU 463 -5.992 6.946 -1.530 245 HD13 LEU 463 HD13 LEU 463 -4.810 6.434 -2.736 246 HD21 LEU 463 HD21 LEU 463 -5.326 2.839 -2.369 247 HD22 LEU 463 HD22 LEU 463 -4.097 3.684 -1.428 248 HD23 LEU 463 HD23 LEU 463 -4.351 4.103 -3.122 249 H LYS 464 HN LYS 464 -9.901 4.732 0.850 250 HA LYS 464 HA LYS 464 -11.201 5.336 -1.689 251 HB2 LYS 464 HB2 LYS 464 -10.713 2.897 -1.734 252 HB3 LYS 464 HB1 LYS 464 -11.635 2.711 -0.248 253 HG2 LYS 464 HG2 LYS 464 -13.633 3.563 -1.419 254 HG3 LYS 464 HG1 LYS 464 -12.697 3.635 -2.912 255 HD2 LYS 464 HD2 LYS 464 -13.205 1.141 -1.291 256 HD3 LYS 464 HD1 LYS 464 -14.089 1.603 -2.744 257 HE2 LYS 464 HE2 LYS 464 -11.950 1.557 -3.999 258 HE3 LYS 464 HE1 LYS 464 -11.150 0.970 -2.541 259 HZ1 LYS 464 HZ1 LYS 464 -11.700 -0.861 -3.991 260 HZ2 LYS 464 HZ2 LYS 464 -13.333 -0.403 -4.011 261 HZ3 LYS 464 HZ3 LYS 464 -12.629 -0.960 -2.573 Start of MODEL 15 1 H SER 433 HT1 SER 433 -0.836 9.952 -3.505 2 HA SER 433 HA SER 433 1.091 9.115 -4.609 3 HB2 SER 433 HB2 SER 433 2.534 11.581 -3.614 4 HB3 SER 433 HB1 SER 433 3.136 10.355 -4.731 5 HG SER 433 HG SER 433 2.489 12.064 -5.972 6 H GLU 434 HN GLU 434 -0.179 9.589 -1.797 7 HA GLU 434 HA GLU 434 2.088 9.226 -0.036 8 HB2 GLU 434 HB2 GLU 434 -0.868 9.328 0.591 9 HB3 GLU 434 HB1 GLU 434 0.425 9.313 1.777 10 HG2 GLU 434 HG2 GLU 434 -0.275 11.543 1.625 11 HG3 GLU 434 HG1 GLU 434 1.241 11.463 0.733 12 H TRP 435 HN TRP 435 -0.073 7.283 -1.754 13 HA TRP 435 HA TRP 435 0.668 4.941 -0.136 14 HB2 TRP 435 HB2 TRP 435 -1.927 5.180 -1.688 15 HB3 TRP 435 HB1 TRP 435 -1.498 3.965 -0.486 16 HD1 TRP 435 HD1 TRP 435 -3.290 7.186 -0.822 17 HE1 TRP 435 HE1 TRP 435 -3.820 8.190 1.491 18 HE3 TRP 435 HE3 TRP 435 -0.443 4.094 2.056 19 HZ2 TRP 435 HZ2 TRP 435 -3.096 7.730 4.193 20 HZ3 TRP 435 HZ3 TRP 435 -0.409 4.428 4.479 21 HH2 TRP 435 HH2 TRP 435 -1.677 6.225 5.537 22 H THR 436 HN THR 436 1.992 3.667 -1.269 23 HA THR 436 HA THR 436 2.043 3.882 -4.170 24 HB THR 436 HB THR 436 3.810 2.328 -2.267 25 HG1 THR 436 HG1 THR 436 4.438 4.391 -2.108 26 HG21 THR 436 HG21 THR 436 3.697 1.145 -4.400 27 HG22 THR 436 HG22 THR 436 5.267 1.932 -4.231 28 HG23 THR 436 HG23 THR 436 4.035 2.644 -5.270 29 H GLU 437 HN GLU 437 0.243 2.867 -4.884 30 HA GLU 437 HA GLU 437 -0.224 0.104 -4.130 31 HB2 GLU 437 HB2 GLU 437 -2.151 0.283 -5.745 32 HB3 GLU 437 HB1 GLU 437 -2.229 1.371 -4.367 33 HG2 GLU 437 HG2 GLU 437 -1.519 3.222 -5.728 34 HG3 GLU 437 HG1 GLU 437 -1.276 2.154 -7.110 35 H ARG 438 HN ARG 438 1.395 -1.077 -4.939 36 HA ARG 438 HA ARG 438 1.654 -1.091 -7.863 37 HB2 ARG 438 HB2 ARG 438 3.633 -0.042 -6.747 38 HB3 ARG 438 HB1 ARG 438 3.904 -1.560 -5.901 39 HG2 ARG 438 HG2 ARG 438 4.227 -2.694 -8.041 40 HG3 ARG 438 HG1 ARG 438 3.974 -1.164 -8.886 41 HD2 ARG 438 HD2 ARG 438 5.903 -0.220 -7.663 42 HD3 ARG 438 HD1 ARG 438 6.172 -1.793 -6.918 43 HE ARG 438 HE ARG 438 6.129 -1.819 -9.817 44 HH11 ARG 438 HH11 ARG 438 8.078 -1.482 -6.928 45 HH12 ARG 438 HH12 ARG 438 9.567 -1.913 -7.716 46 HH21 ARG 438 HH21 ARG 438 8.067 -2.379 -10.869 47 HH22 ARG 438 HH22 ARG 438 9.564 -2.436 -9.982 48 H LYS 439 HN LYS 439 0.940 -2.955 -8.615 49 HA LYS 439 HA LYS 439 0.799 -5.196 -6.779 50 HB2 LYS 439 HB2 LYS 439 -0.631 -6.253 -8.539 51 HB3 LYS 439 HB1 LYS 439 -1.274 -4.783 -7.833 52 HG2 LYS 439 HG2 LYS 439 -0.654 -3.518 -9.780 53 HG3 LYS 439 HG1 LYS 439 0.146 -4.926 -10.482 54 HD2 LYS 439 HD2 LYS 439 -1.936 -6.098 -10.669 55 HD3 LYS 439 HD1 LYS 439 -2.784 -4.838 -9.774 56 HE2 LYS 439 HE2 LYS 439 -1.407 -4.367 -12.409 57 HE3 LYS 439 HE1 LYS 439 -3.107 -4.807 -12.265 58 HZ1 LYS 439 HZ1 LYS 439 -3.350 -2.805 -10.808 59 HZ2 LYS 439 HZ2 LYS 439 -3.014 -2.474 -12.433 60 HZ3 LYS 439 HZ3 LYS 439 -1.785 -2.346 -11.270 61 H THR 440 HN THR 440 2.402 -6.497 -6.672 62 HA THR 440 HA THR 440 4.053 -7.028 -9.003 63 HB THR 440 HB THR 440 5.353 -8.498 -7.443 64 HG1 THR 440 HG1 THR 440 3.186 -7.973 -5.843 65 HG21 THR 440 HG21 THR 440 4.921 -5.649 -6.535 66 HG22 THR 440 HG22 THR 440 6.008 -6.177 -7.819 67 HG23 THR 440 HG23 THR 440 6.321 -6.649 -6.148 68 H ALA 441 HN ALA 441 4.248 -8.973 -10.031 69 HA ALA 441 HA ALA 441 1.786 -10.321 -10.391 70 HB1 ALA 441 HB1 ALA 441 4.493 -11.014 -11.508 71 HB2 ALA 441 HB2 ALA 441 3.364 -9.853 -12.206 72 HB3 ALA 441 HB3 ALA 441 2.933 -11.561 -12.122 73 H ASP 442 HN ASP 442 3.797 -10.799 -7.904 74 HA ASP 442 HA ASP 442 3.854 -13.675 -7.844 75 HB2 ASP 442 HB2 ASP 442 5.572 -12.376 -6.664 76 HB3 ASP 442 HB1 ASP 442 4.335 -11.636 -5.653 77 H GLY 443 HN GLY 443 1.442 -11.474 -7.575 78 HA2 GLY 443 HA2 GLY 443 -0.807 -11.927 -7.076 79 HA3 GLY 443 HA1 GLY 443 -0.295 -13.345 -6.167 80 H LYS 444 HN LYS 444 1.286 -10.314 -5.679 81 HA LYS 444 HA LYS 444 -0.290 -9.818 -3.261 82 HB2 LYS 444 HB2 LYS 444 1.827 -9.332 -2.005 83 HB3 LYS 444 HB1 LYS 444 1.584 -11.028 -2.390 84 HG2 LYS 444 HG2 LYS 444 3.292 -11.049 -3.954 85 HG3 LYS 444 HG1 LYS 444 3.253 -9.297 -4.169 86 HD2 LYS 444 HD2 LYS 444 5.231 -9.932 -2.921 87 HD3 LYS 444 HD1 LYS 444 4.135 -9.017 -1.889 88 HE2 LYS 444 HE2 LYS 444 4.831 -10.761 -0.522 89 HE3 LYS 444 HE1 LYS 444 3.273 -11.323 -1.127 90 HZ1 LYS 444 HZ1 LYS 444 5.918 -12.088 -2.239 91 HZ2 LYS 444 HZ2 LYS 444 4.414 -12.671 -2.762 92 HZ3 LYS 444 HZ3 LYS 444 4.976 -13.050 -1.210 93 H THR 445 HN THR 445 -0.691 -7.717 -2.890 94 HA THR 445 HA THR 445 0.649 -5.778 -4.646 95 HB THR 445 HB THR 445 -2.048 -5.347 -3.367 96 HG1 THR 445 HG1 THR 445 -1.658 -7.252 -5.003 97 HG21 THR 445 HG21 THR 445 -2.329 -3.720 -5.147 98 HG22 THR 445 HG22 THR 445 -0.778 -4.174 -5.850 99 HG23 THR 445 HG23 THR 445 -0.835 -3.386 -4.271 100 H TYR 446 HN TYR 446 2.074 -4.550 -3.569 101 HA TYR 446 HA TYR 446 1.630 -4.232 -0.704 102 HB2 TYR 446 HB2 TYR 446 3.911 -3.635 -0.460 103 HB3 TYR 446 HB1 TYR 446 3.838 -5.074 -1.449 104 HD1 TYR 446 HD1 TYR 446 4.108 -4.727 -4.024 105 HD2 TYR 446 HD2 TYR 446 5.145 -1.811 -1.101 106 HE1 TYR 446 HE1 TYR 446 5.646 -3.662 -5.630 107 HE2 TYR 446 HE2 TYR 446 6.673 -0.742 -2.699 108 HH TYR 446 HH TYR 446 7.978 -1.393 -4.708 109 H TYR 447 HN TYR 447 0.810 -2.491 0.064 110 HA TYR 447 HA TYR 447 1.086 -0.008 -1.443 111 HB2 TYR 447 HB2 TYR 447 -0.575 -0.644 1.009 112 HB3 TYR 447 HB1 TYR 447 -0.509 0.924 0.221 113 HD1 TYR 447 HD2 TYR 447 -1.395 -2.655 -0.468 114 HD2 TYR 447 HD1 TYR 447 -2.015 1.442 -1.458 115 HE1 TYR 447 HE2 TYR 447 -3.255 -3.292 -1.941 116 HE2 TYR 447 HE1 TYR 447 -3.870 0.804 -2.937 117 HH TYR 447 HH TYR 447 -5.168 -2.394 -2.992 118 H TYR 448 HN TYR 448 3.275 0.400 -1.056 119 HA TYR 448 HA TYR 448 4.146 0.732 1.681 120 HB2 TYR 448 HB2 TYR 448 5.849 -0.016 0.193 121 HB3 TYR 448 HB1 TYR 448 5.459 1.224 -0.989 122 HD1 TYR 448 HD1 TYR 448 6.269 1.311 2.679 123 HD2 TYR 448 HD2 TYR 448 7.183 2.726 -1.232 124 HE1 TYR 448 HE1 TYR 448 7.980 2.809 3.626 125 HE2 TYR 448 HE2 TYR 448 8.898 4.218 -0.296 126 HH TYR 448 HH TYR 448 10.077 3.940 2.844 127 H ASN 449 HN ASN 449 3.921 2.426 2.847 128 HA ASN 449 HA ASN 449 2.926 4.911 1.643 129 HB2 ASN 449 HB2 ASN 449 1.287 4.108 3.085 130 HB3 ASN 449 HB1 ASN 449 2.466 3.504 4.248 131 HD21 ASN 449 HD21 ASN 449 1.109 6.441 2.868 132 HD22 ASN 449 HD22 ASN 449 1.312 7.404 4.292 133 H ASN 450 HN ASN 450 3.782 6.874 2.151 134 HA ASN 450 HA ASN 450 6.367 6.851 3.540 135 HB2 ASN 450 HB2 ASN 450 6.207 7.679 1.158 136 HB3 ASN 450 HB1 ASN 450 5.234 9.017 1.759 137 HD21 ASN 450 HD21 ASN 450 8.016 7.575 3.365 138 HD22 ASN 450 HD22 ASN 450 9.023 8.974 3.260 139 H ARG 451 HN ARG 451 3.196 7.541 4.221 140 HA ARG 451 HA ARG 451 3.405 10.047 5.522 141 HB2 ARG 451 HB2 ARG 451 1.358 7.874 5.759 142 HB3 ARG 451 HB1 ARG 451 1.266 9.377 6.670 143 HG2 ARG 451 HG2 ARG 451 1.279 9.104 3.673 144 HG3 ARG 451 HG1 ARG 451 -0.105 9.516 4.687 145 HD2 ARG 451 HD2 ARG 451 2.414 11.159 4.591 146 HD3 ARG 451 HD1 ARG 451 1.041 11.446 3.523 147 HE ARG 451 HE ARG 451 0.026 11.426 6.100 148 HH11 ARG 451 HH11 ARG 451 2.503 13.260 4.425 149 HH12 ARG 451 HH12 ARG 451 2.075 14.769 5.182 150 HH21 ARG 451 HH21 ARG 451 -0.512 13.390 7.121 151 HH22 ARG 451 HH22 ARG 451 0.370 14.840 6.737 152 H THR 452 HN THR 452 3.197 6.770 6.857 153 HA THR 452 HA THR 452 4.604 7.782 9.239 154 HB THR 452 HB THR 452 2.344 7.214 9.863 155 HG1 THR 452 HG1 THR 452 4.413 5.488 10.704 156 HG21 THR 452 HG21 THR 452 2.880 4.496 8.670 157 HG22 THR 452 HG22 THR 452 1.792 5.722 8.020 158 HG23 THR 452 HG23 THR 452 1.434 4.957 9.568 159 H LEU 453 HN LEU 453 5.036 6.059 6.544 160 HA LEU 453 HA LEU 453 6.559 4.565 5.799 161 HB2 LEU 453 HB2 LEU 453 7.674 5.210 8.478 162 HB3 LEU 453 HB1 LEU 453 8.268 3.760 7.695 163 HG LEU 453 HG LEU 453 9.598 5.937 7.377 164 HD11 LEU 453 HD11 LEU 453 9.610 3.723 5.979 165 HD12 LEU 453 HD12 LEU 453 10.447 5.159 5.392 166 HD13 LEU 453 HD13 LEU 453 8.859 4.745 4.753 167 HD21 LEU 453 HD21 LEU 453 8.882 7.431 5.664 168 HD22 LEU 453 HD22 LEU 453 7.563 7.293 6.832 169 HD23 LEU 453 HD23 LEU 453 7.484 6.418 5.297 170 H GLU 454 HN GLU 454 4.585 3.292 5.735 171 HA GLU 454 HA GLU 454 4.941 0.822 7.272 172 HB2 GLU 454 HB2 GLU 454 2.328 2.263 6.820 173 HB3 GLU 454 HB1 GLU 454 2.431 0.582 7.312 174 HG2 GLU 454 HG2 GLU 454 3.839 1.507 9.278 175 HG3 GLU 454 HG1 GLU 454 3.095 3.050 8.843 176 H SER 455 HN SER 455 4.714 -0.998 6.080 177 HA SER 455 HA SER 455 3.700 -0.685 3.351 178 HB2 SER 455 HB2 SER 455 4.601 -2.999 3.007 179 HB3 SER 455 HB1 SER 455 5.834 -1.819 3.444 180 HG SER 455 HG SER 455 4.987 -2.796 5.714 181 H THR 456 HN THR 456 1.599 -0.936 3.189 182 HA THR 456 HA THR 456 0.209 -2.637 5.132 183 HB THR 456 HB THR 456 -1.853 -1.418 4.304 184 HG1 THR 456 HG1 THR 456 -0.558 -0.672 2.352 185 HG21 THR 456 HG21 THR 456 -1.325 0.678 5.534 186 HG22 THR 456 HG22 THR 456 0.372 0.189 5.565 187 HG23 THR 456 HG23 THR 456 -0.842 -0.781 6.401 188 H TRP 457 HN TRP 457 -0.147 -4.597 4.439 189 HA TRP 457 HA TRP 457 -0.529 -5.068 1.574 190 HB2 TRP 457 HB2 TRP 457 0.174 -7.009 3.807 191 HB3 TRP 457 HB1 TRP 457 0.082 -7.408 2.083 192 HD1 TRP 457 HD1 TRP 457 2.005 -4.928 4.360 193 HE1 TRP 457 HE1 TRP 457 4.301 -4.465 3.321 194 HE3 TRP 457 HE3 TRP 457 1.620 -7.863 0.181 195 HZ2 TRP 457 HZ2 TRP 457 5.741 -5.177 1.038 196 HZ3 TRP 457 HZ3 TRP 457 3.538 -7.948 -1.360 197 HH2 TRP 457 HH2 TRP 457 5.568 -6.656 -0.929 198 H GLU 458 HN GLU 458 -2.116 -4.802 4.490 199 HA GLU 458 HA GLU 458 -4.630 -5.641 3.230 200 HB2 GLU 458 HB2 GLU 458 -4.119 -4.512 6.002 201 HB3 GLU 458 HB1 GLU 458 -5.652 -5.139 5.410 202 HG2 GLU 458 HG2 GLU 458 -4.691 -7.368 5.237 203 HG3 GLU 458 HG1 GLU 458 -3.130 -6.748 5.773 204 H LYS 459 HN LYS 459 -6.050 -4.028 2.488 205 HA LYS 459 HA LYS 459 -4.789 -1.727 1.512 206 HB2 LYS 459 HB2 LYS 459 -7.739 -2.319 1.736 207 HB3 LYS 459 HB1 LYS 459 -7.050 -1.012 0.789 208 HG2 LYS 459 HG2 LYS 459 -5.836 -2.718 -0.559 209 HG3 LYS 459 HG1 LYS 459 -6.727 -3.967 0.321 210 HD2 LYS 459 HD2 LYS 459 -7.914 -3.543 -1.708 211 HD3 LYS 459 HD1 LYS 459 -8.844 -2.825 -0.392 212 HE2 LYS 459 HE2 LYS 459 -7.429 -0.694 -0.995 213 HE3 LYS 459 HE1 LYS 459 -7.273 -1.503 -2.553 214 HZ1 LYS 459 HZ1 LYS 459 -9.832 -1.736 -2.330 215 HZ2 LYS 459 HZ2 LYS 459 -9.163 -0.272 -2.852 216 HZ3 LYS 459 HZ3 LYS 459 -9.683 -0.433 -1.246 217 HA PRO 460 HA PRO 460 -5.096 1.125 4.984 218 HB2 PRO 460 HB2 PRO 460 -4.674 3.304 3.252 219 HB3 PRO 460 HB1 PRO 460 -3.448 2.488 4.217 220 HG2 PRO 460 HG2 PRO 460 -4.077 2.217 1.344 221 HG3 PRO 460 HG1 PRO 460 -2.545 1.965 2.191 222 HD2 PRO 460 HD2 PRO 460 -4.071 -0.076 1.252 223 HD3 PRO 460 HD1 PRO 460 -3.030 -0.224 2.682 224 H GLN 461 HN GLN 461 -6.993 1.849 5.720 225 HA GLN 461 HA GLN 461 -9.259 1.857 3.995 226 HB2 GLN 461 HB2 GLN 461 -8.952 2.540 6.915 227 HB3 GLN 461 HB1 GLN 461 -10.501 2.507 6.079 228 HG2 GLN 461 HG2 GLN 461 -10.132 0.146 5.517 229 HG3 GLN 461 HG1 GLN 461 -8.605 0.189 6.394 230 HE21 GLN 461 HE21 GLN 461 -11.436 1.896 7.497 231 HE22 GLN 461 HE22 GLN 461 -11.761 0.875 8.858 232 H GLU 462 HN GLU 462 -6.995 4.240 4.685 233 HA GLU 462 HA GLU 462 -8.790 6.464 4.320 234 HB2 GLU 462 HB2 GLU 462 -6.613 6.630 5.561 235 HB3 GLU 462 HB1 GLU 462 -5.783 6.432 4.023 236 HG2 GLU 462 HG2 GLU 462 -5.879 8.767 4.647 237 HG3 GLU 462 HG1 GLU 462 -6.827 8.475 3.190 238 H LEU 463 HN LEU 463 -7.240 4.187 2.316 239 HA LEU 463 HA LEU 463 -7.676 5.859 -0.062 240 HB2 LEU 463 HB2 LEU 463 -5.457 4.719 0.273 241 HB3 LEU 463 HB1 LEU 463 -6.285 3.183 0.115 242 HG LEU 463 HG LEU 463 -6.908 3.736 -2.189 243 HD11 LEU 463 HD11 LEU 463 -5.324 6.262 -1.742 244 HD12 LEU 463 HD12 LEU 463 -7.071 6.161 -1.950 245 HD13 LEU 463 HD13 LEU 463 -5.998 5.722 -3.277 246 HD21 LEU 463 HD21 LEU 463 -4.873 2.533 -1.933 247 HD22 LEU 463 HD22 LEU 463 -3.994 3.993 -1.487 248 HD23 LEU 463 HD23 LEU 463 -4.581 3.792 -3.135 249 H LYS 464 HN LYS 464 -9.078 3.508 1.819 250 HA LYS 464 HA LYS 464 -10.929 2.236 1.689 251 HB2 LYS 464 HB2 LYS 464 -11.524 4.114 -0.599 252 HB3 LYS 464 HB1 LYS 464 -12.667 2.914 -0.016 253 HG2 LYS 464 HG2 LYS 464 -13.310 4.906 1.015 254 HG3 LYS 464 HG1 LYS 464 -12.430 4.028 2.264 255 HD2 LYS 464 HD2 LYS 464 -10.443 5.372 1.821 256 HD3 LYS 464 HD1 LYS 464 -11.293 6.221 0.529 257 HE2 LYS 464 HE2 LYS 464 -12.920 7.054 2.183 258 HE3 LYS 464 HE1 LYS 464 -12.010 6.247 3.460 259 HZ1 LYS 464 HZ1 LYS 464 -10.774 8.261 1.673 260 HZ2 LYS 464 HZ2 LYS 464 -10.203 7.702 3.169 261 HZ3 LYS 464 HZ3 LYS 464 -11.567 8.700 3.104 Start of MODEL 16 1 H SER 433 HT1 SER 433 0.230 10.343 -4.920 2 HA SER 433 HA SER 433 2.144 8.859 -4.845 3 HB2 SER 433 HB2 SER 433 2.376 11.286 -5.350 4 HB3 SER 433 HB1 SER 433 2.653 11.595 -3.638 5 HG SER 433 HG SER 433 4.336 9.679 -4.425 6 H GLU 434 HN GLU 434 0.636 9.233 -1.953 7 HA GLU 434 HA GLU 434 2.985 8.559 -0.338 8 HB2 GLU 434 HB2 GLU 434 0.223 9.075 0.736 9 HB3 GLU 434 HB1 GLU 434 1.759 9.186 1.579 10 HG2 GLU 434 HG2 GLU 434 1.235 11.395 1.293 11 HG3 GLU 434 HG1 GLU 434 2.243 11.095 -0.121 12 H TRP 435 HN TRP 435 0.319 7.171 -1.861 13 HA TRP 435 HA TRP 435 0.541 4.747 -0.205 14 HB2 TRP 435 HB2 TRP 435 -1.848 5.544 -1.887 15 HB3 TRP 435 HB1 TRP 435 -1.749 4.210 -0.744 16 HD1 TRP 435 HD1 TRP 435 -2.928 7.685 -0.993 17 HE1 TRP 435 HE1 TRP 435 -3.460 8.640 1.341 18 HE3 TRP 435 HE3 TRP 435 -0.683 4.114 1.889 19 HZ2 TRP 435 HZ2 TRP 435 -2.990 7.976 4.037 20 HZ3 TRP 435 HZ3 TRP 435 -0.756 4.361 4.329 21 HH2 TRP 435 HH2 TRP 435 -1.880 6.252 5.383 22 H THR 436 HN THR 436 2.030 3.591 -1.330 23 HA THR 436 HA THR 436 1.843 3.473 -4.230 24 HB THR 436 HB THR 436 3.848 2.232 -2.337 25 HG1 THR 436 HG1 THR 436 4.638 4.188 -2.436 26 HG21 THR 436 HG21 THR 436 3.871 2.323 -5.363 27 HG22 THR 436 HG22 THR 436 3.614 0.880 -4.378 28 HG23 THR 436 HG23 THR 436 5.169 1.712 -4.339 29 H GLU 437 HN GLU 437 0.065 2.228 -4.728 30 HA GLU 437 HA GLU 437 0.016 -0.503 -3.732 31 HB2 GLU 437 HB2 GLU 437 -2.145 0.652 -4.164 32 HB3 GLU 437 HB1 GLU 437 -1.716 0.762 -5.869 33 HG2 GLU 437 HG2 GLU 437 -1.457 -1.788 -5.758 34 HG3 GLU 437 HG1 GLU 437 -2.358 -1.670 -4.248 35 H ARG 438 HN ARG 438 1.879 -1.405 -4.492 36 HA ARG 438 HA ARG 438 2.216 -1.387 -7.406 37 HB2 ARG 438 HB2 ARG 438 4.165 -0.634 -6.071 38 HB3 ARG 438 HB1 ARG 438 4.211 -2.211 -5.292 39 HG2 ARG 438 HG2 ARG 438 4.697 -3.285 -7.395 40 HG3 ARG 438 HG1 ARG 438 4.538 -1.748 -8.248 41 HD2 ARG 438 HD2 ARG 438 6.444 -0.854 -7.067 42 HD3 ARG 438 HD1 ARG 438 6.568 -2.321 -6.097 43 HE ARG 438 HE ARG 438 6.985 -2.285 -9.019 44 HH11 ARG 438 HH11 ARG 438 7.887 -3.278 -5.799 45 HH12 ARG 438 HH12 ARG 438 9.177 -4.321 -6.330 46 HH21 ARG 438 HH21 ARG 438 8.694 -3.612 -9.746 47 HH22 ARG 438 HH22 ARG 438 9.652 -4.497 -8.587 48 H LYS 439 HN LYS 439 1.521 -3.063 -8.453 49 HA LYS 439 HA LYS 439 0.917 -5.495 -6.984 50 HB2 LYS 439 HB2 LYS 439 -0.183 -6.194 -9.160 51 HB3 LYS 439 HB1 LYS 439 -0.899 -4.821 -8.340 52 HG2 LYS 439 HG2 LYS 439 1.112 -4.351 -10.489 53 HG3 LYS 439 HG1 LYS 439 -0.541 -4.791 -10.918 54 HD2 LYS 439 HD2 LYS 439 -0.073 -2.577 -8.966 55 HD3 LYS 439 HD1 LYS 439 0.159 -2.270 -10.686 56 HE2 LYS 439 HE2 LYS 439 -2.079 -1.644 -10.108 57 HE3 LYS 439 HE1 LYS 439 -2.153 -3.106 -11.084 58 HZ1 LYS 439 HZ1 LYS 439 -3.671 -3.244 -9.240 59 HZ2 LYS 439 HZ2 LYS 439 -2.436 -2.946 -8.133 60 HZ3 LYS 439 HZ3 LYS 439 -2.441 -4.388 -9.031 61 H THR 440 HN THR 440 2.545 -6.802 -6.732 62 HA THR 440 HA THR 440 4.575 -7.092 -8.788 63 HB THR 440 HB THR 440 5.653 -8.661 -7.139 64 HG1 THR 440 HG1 THR 440 3.335 -7.938 -5.678 65 HG21 THR 440 HG21 THR 440 6.173 -6.223 -7.277 66 HG22 THR 440 HG22 THR 440 6.431 -6.923 -5.680 67 HG23 THR 440 HG23 THR 440 4.994 -5.950 -5.990 68 H ALA 441 HN ALA 441 5.209 -9.148 -9.645 69 HA ALA 441 HA ALA 441 3.035 -10.261 -10.999 70 HB1 ALA 441 HB1 ALA 441 5.301 -10.068 -11.921 71 HB2 ALA 441 HB2 ALA 441 4.651 -11.700 -12.075 72 HB3 ALA 441 HB3 ALA 441 5.840 -11.343 -10.823 73 H ASP 442 HN ASP 442 4.457 -11.244 -8.010 74 HA ASP 442 HA ASP 442 3.681 -13.959 -8.032 75 HB2 ASP 442 HB2 ASP 442 5.234 -13.151 -6.367 76 HB3 ASP 442 HB1 ASP 442 4.037 -12.027 -5.733 77 H GLY 443 HN GLY 443 1.829 -11.168 -8.088 78 HA2 GLY 443 HA2 GLY 443 -0.509 -11.080 -8.226 79 HA3 GLY 443 HA1 GLY 443 -0.593 -12.676 -7.490 80 H LYS 444 HN LYS 444 1.397 -10.196 -6.125 81 HA LYS 444 HA LYS 444 -0.575 -9.873 -3.966 82 HB2 LYS 444 HB2 LYS 444 1.382 -9.575 -2.408 83 HB3 LYS 444 HB1 LYS 444 1.158 -11.203 -3.027 84 HG2 LYS 444 HG2 LYS 444 3.059 -11.124 -4.311 85 HG3 LYS 444 HG1 LYS 444 3.034 -9.364 -4.432 86 HD2 LYS 444 HD2 LYS 444 4.862 -10.044 -3.014 87 HD3 LYS 444 HD1 LYS 444 3.643 -9.221 -2.045 88 HE2 LYS 444 HE2 LYS 444 4.367 -11.104 -0.797 89 HE3 LYS 444 HE1 LYS 444 2.762 -11.487 -1.414 90 HZ1 LYS 444 HZ1 LYS 444 5.274 -12.356 -2.727 91 HZ2 LYS 444 HZ2 LYS 444 3.697 -12.869 -3.083 92 HZ3 LYS 444 HZ3 LYS 444 4.421 -13.304 -1.613 93 H THR 445 HN THR 445 -1.298 -7.911 -3.810 94 HA THR 445 HA THR 445 0.190 -5.643 -4.842 95 HB THR 445 HB THR 445 -1.977 -4.509 -3.755 96 HG1 THR 445 HG1 THR 445 -2.868 -6.356 -2.877 97 HG21 THR 445 HG21 THR 445 -3.070 -4.646 -5.893 98 HG22 THR 445 HG22 THR 445 -2.094 -6.045 -6.349 99 HG23 THR 445 HG23 THR 445 -1.333 -4.468 -6.138 100 H TYR 446 HN TYR 446 1.700 -4.755 -3.506 101 HA TYR 446 HA TYR 446 1.027 -4.700 -0.650 102 HB2 TYR 446 HB2 TYR 446 3.297 -4.433 -0.100 103 HB3 TYR 446 HB1 TYR 446 3.223 -5.724 -1.270 104 HD1 TYR 446 HD1 TYR 446 4.032 -5.267 -3.635 105 HD2 TYR 446 HD2 TYR 446 4.565 -2.502 -0.446 106 HE1 TYR 446 HE1 TYR 446 5.826 -4.157 -4.900 107 HE2 TYR 446 HE2 TYR 446 6.353 -1.379 -1.703 108 HH TYR 446 HH TYR 446 7.961 -1.910 -3.493 109 H TYR 447 HN TYR 447 0.829 -2.888 0.429 110 HA TYR 447 HA TYR 447 1.093 -0.420 -1.107 111 HB2 TYR 447 HB2 TYR 447 -0.519 -1.029 1.373 112 HB3 TYR 447 HB1 TYR 447 -0.377 0.568 0.655 113 HD1 TYR 447 HD2 TYR 447 -1.499 -2.910 -0.128 114 HD2 TYR 447 HD1 TYR 447 -1.893 1.239 -0.992 115 HE1 TYR 447 HE2 TYR 447 -3.430 -3.402 -1.574 116 HE2 TYR 447 HE1 TYR 447 -3.829 0.758 -2.433 117 HH TYR 447 HH TYR 447 -4.722 -1.212 -3.754 118 H TYR 448 HN TYR 448 3.195 0.070 -0.842 119 HA TYR 448 HA TYR 448 4.284 0.409 1.797 120 HB2 TYR 448 HB2 TYR 448 6.018 -0.067 0.359 121 HB3 TYR 448 HB1 TYR 448 5.257 0.748 -1.002 122 HD1 TYR 448 HD1 TYR 448 7.156 1.346 2.145 123 HD2 TYR 448 HD2 TYR 448 5.836 2.950 -1.570 124 HE1 TYR 448 HE1 TYR 448 8.591 3.312 2.478 125 HE2 TYR 448 HE2 TYR 448 7.272 4.914 -1.240 126 HH TYR 448 HH TYR 448 9.712 5.062 1.018 127 H ASN 449 HN ASN 449 3.870 2.003 3.018 128 HA ASN 449 HA ASN 449 2.547 4.403 2.039 129 HB2 ASN 449 HB2 ASN 449 1.403 3.492 3.861 130 HB3 ASN 449 HB1 ASN 449 2.889 3.059 4.699 131 HD21 ASN 449 HD21 ASN 449 0.676 5.607 3.935 132 HD22 ASN 449 HD22 ASN 449 1.208 6.704 5.159 133 H ASN 450 HN ASN 450 3.496 6.335 1.923 134 HA ASN 450 HA ASN 450 6.189 6.619 3.055 135 HB2 ASN 450 HB2 ASN 450 5.795 7.039 0.598 136 HB3 ASN 450 HB1 ASN 450 4.827 8.433 1.057 137 HD21 ASN 450 HD21 ASN 450 8.036 7.058 1.002 138 HD22 ASN 450 HD22 ASN 450 8.891 8.552 1.220 139 H ARG 451 HN ARG 451 3.076 7.276 3.923 140 HA ARG 451 HA ARG 451 3.244 9.942 4.840 141 HB2 ARG 451 HB2 ARG 451 1.439 7.672 5.583 142 HB3 ARG 451 HB1 ARG 451 1.354 9.220 6.412 143 HG2 ARG 451 HG2 ARG 451 1.075 8.904 3.433 144 HG3 ARG 451 HG1 ARG 451 -0.286 8.934 4.558 145 HD2 ARG 451 HD2 ARG 451 0.341 11.162 5.292 146 HD3 ARG 451 HD1 ARG 451 1.755 11.134 4.239 147 HE ARG 451 HE ARG 451 -0.092 10.807 2.426 148 HH11 ARG 451 HH11 ARG 451 -0.236 12.908 5.226 149 HH12 ARG 451 HH12 ARG 451 -1.311 14.047 4.458 150 HH21 ARG 451 HH21 ARG 451 -1.446 12.310 1.405 151 HH22 ARG 451 HH22 ARG 451 -1.992 13.716 2.283 152 H THR 452 HN THR 452 3.583 6.860 6.574 153 HA THR 452 HA THR 452 5.096 8.308 8.651 154 HB THR 452 HB THR 452 3.782 5.686 9.223 155 HG1 THR 452 HG1 THR 452 1.863 6.506 8.941 156 HG21 THR 452 HG21 THR 452 3.587 6.665 11.466 157 HG22 THR 452 HG22 THR 452 4.295 8.165 10.866 158 HG23 THR 452 HG23 THR 452 5.254 6.684 10.890 159 H LEU 453 HN LEU 453 5.526 6.414 6.076 160 HA LEU 453 HA LEU 453 6.921 4.791 5.362 161 HB2 LEU 453 HB2 LEU 453 8.357 5.750 7.780 162 HB3 LEU 453 HB1 LEU 453 8.844 4.199 7.125 163 HG LEU 453 HG LEU 453 10.134 6.279 6.366 164 HD11 LEU 453 HD11 LEU 453 9.128 4.001 4.827 165 HD12 LEU 453 HD12 LEU 453 10.783 4.551 5.087 166 HD13 LEU 453 HD13 LEU 453 9.782 5.316 3.852 167 HD21 LEU 453 HD21 LEU 453 9.200 7.511 4.495 168 HD22 LEU 453 HD22 LEU 453 8.161 7.687 5.910 169 HD23 LEU 453 HD23 LEU 453 7.700 6.586 4.608 170 H GLU 454 HN GLU 454 5.061 3.494 5.567 171 HA GLU 454 HA GLU 454 5.268 1.439 7.657 172 HB2 GLU 454 HB2 GLU 454 2.675 2.638 6.660 173 HB3 GLU 454 HB1 GLU 454 2.854 1.419 7.912 174 HG2 GLU 454 HG2 GLU 454 3.983 3.043 9.338 175 HG3 GLU 454 HG1 GLU 454 3.821 4.264 8.076 176 H SER 455 HN SER 455 5.422 -0.534 6.734 177 HA SER 455 HA SER 455 4.473 -0.900 4.007 178 HB2 SER 455 HB2 SER 455 6.671 -1.872 4.977 179 HB3 SER 455 HB1 SER 455 5.632 -3.066 5.758 180 HG SER 455 HG SER 455 6.371 -2.793 3.118 181 H THR 456 HN THR 456 2.393 -1.417 3.681 182 HA THR 456 HA THR 456 1.038 -2.945 5.783 183 HB THR 456 HB THR 456 0.385 -0.687 6.249 184 HG1 THR 456 HG1 THR 456 -1.270 -2.352 6.242 185 HG21 THR 456 HG21 THR 456 -0.587 0.824 4.676 186 HG22 THR 456 HG22 THR 456 -0.621 -0.413 3.425 187 HG23 THR 456 HG23 THR 456 0.922 0.237 3.975 188 H TRP 457 HN TRP 457 -0.157 -4.541 5.078 189 HA TRP 457 HA TRP 457 -0.278 -4.843 2.162 190 HB2 TRP 457 HB2 TRP 457 0.423 -6.880 4.298 191 HB3 TRP 457 HB1 TRP 457 0.156 -7.291 2.597 192 HD1 TRP 457 HD1 TRP 457 2.298 -4.670 4.503 193 HE1 TRP 457 HE1 TRP 457 4.546 -4.408 3.300 194 HE3 TRP 457 HE3 TRP 457 1.641 -8.139 0.796 195 HZ2 TRP 457 HZ2 TRP 457 5.851 -5.472 1.085 196 HZ3 TRP 457 HZ3 TRP 457 3.477 -8.486 -0.808 197 HH2 TRP 457 HH2 TRP 457 5.551 -7.196 -0.659 198 H GLU 458 HN GLU 458 -2.130 -3.949 4.346 199 HA GLU 458 HA GLU 458 -4.442 -5.469 3.346 200 HB2 GLU 458 HB2 GLU 458 -4.129 -5.391 5.860 201 HB3 GLU 458 HB1 GLU 458 -4.361 -3.650 5.763 202 HG2 GLU 458 HG2 GLU 458 -6.402 -4.815 6.417 203 HG3 GLU 458 HG1 GLU 458 -6.590 -3.961 4.885 204 H LYS 459 HN LYS 459 -6.168 -4.200 2.481 205 HA LYS 459 HA LYS 459 -5.191 -1.962 1.021 206 HB2 LYS 459 HB2 LYS 459 -8.004 -3.043 1.248 207 HB3 LYS 459 HB1 LYS 459 -7.456 -1.868 0.057 208 HG2 LYS 459 HG2 LYS 459 -5.874 -3.521 -0.829 209 HG3 LYS 459 HG1 LYS 459 -6.464 -4.699 0.339 210 HD2 LYS 459 HD2 LYS 459 -7.599 -5.231 -1.630 211 HD3 LYS 459 HD1 LYS 459 -8.771 -4.293 -0.708 212 HE2 LYS 459 HE2 LYS 459 -6.979 -3.065 -2.791 213 HE3 LYS 459 HE1 LYS 459 -8.554 -3.751 -3.181 214 HZ1 LYS 459 HZ1 LYS 459 -8.866 -1.456 -2.872 215 HZ2 LYS 459 HZ2 LYS 459 -7.971 -1.425 -1.436 216 HZ3 LYS 459 HZ3 LYS 459 -9.485 -2.187 -1.471 217 HA PRO 460 HA PRO 460 -5.609 1.260 4.031 218 HB2 PRO 460 HB2 PRO 460 -6.040 2.744 1.461 219 HB3 PRO 460 HB1 PRO 460 -5.026 3.172 2.846 220 HG2 PRO 460 HG2 PRO 460 -3.910 2.136 0.694 221 HG3 PRO 460 HG1 PRO 460 -3.396 1.593 2.302 222 HD2 PRO 460 HD2 PRO 460 -5.111 0.210 0.295 223 HD3 PRO 460 HD1 PRO 460 -3.949 -0.469 1.450 224 H GLN 461 HN GLN 461 -7.263 2.057 5.138 225 HA GLN 461 HA GLN 461 -9.934 1.784 3.966 226 HB2 GLN 461 HB2 GLN 461 -10.777 1.551 6.206 227 HB3 GLN 461 HB1 GLN 461 -9.400 0.476 6.017 228 HG2 GLN 461 HG2 GLN 461 -9.231 3.191 7.297 229 HG3 GLN 461 HG1 GLN 461 -9.519 1.703 8.192 230 HE21 GLN 461 HE21 GLN 461 -7.756 0.077 6.600 231 HE22 GLN 461 HE22 GLN 461 -6.140 0.553 7.006 232 H GLU 462 HN GLU 462 -7.713 4.197 4.787 233 HA GLU 462 HA GLU 462 -9.784 6.131 5.464 234 HB2 GLU 462 HB2 GLU 462 -7.732 7.728 5.521 235 HB3 GLU 462 HB1 GLU 462 -7.958 6.564 6.813 236 HG2 GLU 462 HG2 GLU 462 -5.616 6.780 6.030 237 HG3 GLU 462 HG1 GLU 462 -6.257 5.141 5.930 238 H LEU 463 HN LEU 463 -8.249 4.922 2.749 239 HA LEU 463 HA LEU 463 -8.710 7.294 1.127 240 HB2 LEU 463 HB2 LEU 463 -6.675 5.846 0.862 241 HB3 LEU 463 HB1 LEU 463 -7.727 4.564 0.292 242 HG LEU 463 HG LEU 463 -8.397 5.997 -1.616 243 HD11 LEU 463 HD11 LEU 463 -6.264 7.857 -0.576 244 HD12 LEU 463 HD12 LEU 463 -7.998 8.174 -0.582 245 HD13 LEU 463 HD13 LEU 463 -7.127 8.017 -2.107 246 HD21 LEU 463 HD21 LEU 463 -6.595 4.367 -1.854 247 HD22 LEU 463 HD22 LEU 463 -5.425 5.576 -1.323 248 HD23 LEU 463 HD23 LEU 463 -6.293 5.795 -2.842 249 H LYS 464 HN LYS 464 -10.578 4.964 2.368 250 HA LYS 464 HA LYS 464 -12.121 4.168 0.087 251 HB2 LYS 464 HB2 LYS 464 -12.751 4.036 3.044 252 HB3 LYS 464 HB1 LYS 464 -13.727 3.301 1.782 253 HG2 LYS 464 HG2 LYS 464 -10.865 2.601 2.393 254 HG3 LYS 464 HG1 LYS 464 -12.278 1.691 2.924 255 HD2 LYS 464 HD2 LYS 464 -12.891 1.331 0.558 256 HD3 LYS 464 HD1 LYS 464 -11.417 2.171 0.072 257 HE2 LYS 464 HE2 LYS 464 -11.023 -0.200 -0.021 258 HE3 LYS 464 HE1 LYS 464 -10.101 0.481 1.319 259 HZ1 LYS 464 HZ1 LYS 464 -12.673 -0.992 1.516 260 HZ2 LYS 464 HZ2 LYS 464 -11.877 -0.267 2.827 261 HZ3 LYS 464 HZ3 LYS 464 -11.149 -1.555 2.001 Start of MODEL 17 1 H SER 433 HT1 SER 433 -3.152 12.504 -3.210 2 HA SER 433 HA SER 433 -2.433 11.372 -1.240 3 HB2 SER 433 HB2 SER 433 -3.608 9.431 -3.247 4 HB3 SER 433 HB1 SER 433 -3.752 9.334 -1.493 5 HG SER 433 HG SER 433 -5.539 10.342 -2.838 6 H GLU 434 HN GLU 434 -0.557 10.674 -0.453 7 HA GLU 434 HA GLU 434 1.332 9.380 -2.226 8 HB2 GLU 434 HB2 GLU 434 2.031 11.215 -0.745 9 HB3 GLU 434 HB1 GLU 434 1.625 10.237 0.656 10 HG2 GLU 434 HG2 GLU 434 3.344 8.615 0.002 11 HG3 GLU 434 HG1 GLU 434 3.765 9.633 -1.375 12 H TRP 435 HN TRP 435 0.291 7.361 -2.495 13 HA TRP 435 HA TRP 435 0.995 5.462 -0.392 14 HB2 TRP 435 HB2 TRP 435 -1.755 5.479 -1.690 15 HB3 TRP 435 HB1 TRP 435 -1.171 4.296 -0.523 16 HD1 TRP 435 HD1 TRP 435 -2.736 7.722 -0.767 17 HE1 TRP 435 HE1 TRP 435 -3.170 8.654 1.594 18 HE3 TRP 435 HE3 TRP 435 -0.240 4.203 1.969 19 HZ2 TRP 435 HZ2 TRP 435 -2.533 7.986 4.268 20 HZ3 TRP 435 HZ3 TRP 435 -0.179 4.432 4.417 21 HH2 TRP 435 HH2 TRP 435 -1.264 6.304 5.541 22 H THR 436 HN THR 436 2.236 3.933 -1.355 23 HA THR 436 HA THR 436 2.162 3.752 -4.257 24 HB THR 436 HB THR 436 4.084 2.561 -2.252 25 HG1 THR 436 HG1 THR 436 5.188 4.210 -4.064 26 HG21 THR 436 HG21 THR 436 3.883 1.067 -4.189 27 HG22 THR 436 HG22 THR 436 5.442 1.895 -4.200 28 HG23 THR 436 HG23 THR 436 4.152 2.430 -5.277 29 H GLU 437 HN GLU 437 0.440 2.575 -4.832 30 HA GLU 437 HA GLU 437 0.120 -0.137 -3.837 31 HB2 GLU 437 HB2 GLU 437 -1.926 1.097 -4.349 32 HB3 GLU 437 HB1 GLU 437 -1.361 1.416 -5.983 33 HG2 GLU 437 HG2 GLU 437 -1.376 -1.055 -6.377 34 HG3 GLU 437 HG1 GLU 437 -2.158 -1.236 -4.808 35 H ARG 438 HN ARG 438 1.967 -1.182 -4.479 36 HA ARG 438 HA ARG 438 2.464 -1.226 -7.376 37 HB2 ARG 438 HB2 ARG 438 4.305 -0.441 -5.756 38 HB3 ARG 438 HB1 ARG 438 4.435 -2.134 -5.294 39 HG2 ARG 438 HG2 ARG 438 4.998 -2.755 -7.555 40 HG3 ARG 438 HG1 ARG 438 4.747 -1.097 -8.104 41 HD2 ARG 438 HD2 ARG 438 6.539 -0.431 -6.448 42 HD3 ARG 438 HD1 ARG 438 6.890 -2.149 -6.284 43 HE ARG 438 HE ARG 438 6.934 -1.594 -8.993 44 HH11 ARG 438 HH11 ARG 438 8.710 -0.716 -6.120 45 HH12 ARG 438 HH12 ARG 438 10.169 -0.316 -6.973 46 HH21 ARG 438 HH21 ARG 438 8.821 -1.029 -10.148 47 HH22 ARG 438 HH22 ARG 438 10.224 -0.455 -9.278 48 H LYS 439 HN LYS 439 1.688 -2.931 -8.318 49 HA LYS 439 HA LYS 439 1.068 -5.257 -6.713 50 HB2 LYS 439 HB2 LYS 439 -0.200 -5.964 -8.799 51 HB3 LYS 439 HB1 LYS 439 -0.804 -4.572 -7.922 52 HG2 LYS 439 HG2 LYS 439 0.449 -3.133 -9.571 53 HG3 LYS 439 HG1 LYS 439 0.715 -4.604 -10.512 54 HD2 LYS 439 HD2 LYS 439 -1.983 -3.522 -9.696 55 HD3 LYS 439 HD1 LYS 439 -1.244 -3.316 -11.285 56 HE2 LYS 439 HE2 LYS 439 -1.798 -6.003 -10.043 57 HE3 LYS 439 HE1 LYS 439 -2.931 -5.172 -11.108 58 HZ1 LYS 439 HZ1 LYS 439 -1.563 -6.790 -12.290 59 HZ2 LYS 439 HZ2 LYS 439 -0.157 -5.953 -11.843 60 HZ3 LYS 439 HZ3 LYS 439 -1.297 -5.214 -12.863 61 H THR 440 HN THR 440 2.659 -6.625 -6.481 62 HA THR 440 HA THR 440 4.431 -7.236 -8.703 63 HB THR 440 HB THR 440 5.554 -8.773 -7.089 64 HG1 THR 440 HG1 THR 440 3.292 -8.187 -5.624 65 HG21 THR 440 HG21 THR 440 5.127 -5.947 -6.128 66 HG22 THR 440 HG22 THR 440 6.329 -6.481 -7.305 67 HG23 THR 440 HG23 THR 440 6.445 -7.005 -5.624 68 H ALA 441 HN ALA 441 4.640 -9.225 -9.691 69 HA ALA 441 HA ALA 441 2.158 -10.615 -10.053 70 HB1 ALA 441 HB1 ALA 441 4.881 -11.145 -11.239 71 HB2 ALA 441 HB2 ALA 441 3.614 -10.137 -11.946 72 HB3 ALA 441 HB3 ALA 441 3.365 -11.874 -11.767 73 H ASP 442 HN ASP 442 4.158 -10.832 -7.605 74 HA ASP 442 HA ASP 442 4.487 -13.674 -7.355 75 HB2 ASP 442 HB2 ASP 442 5.966 -11.945 -6.264 76 HB3 ASP 442 HB1 ASP 442 4.628 -11.565 -5.189 77 H GLY 443 HN GLY 443 1.857 -11.769 -7.368 78 HA2 GLY 443 HA2 GLY 443 -0.340 -12.507 -7.006 79 HA3 GLY 443 HA1 GLY 443 0.280 -13.753 -5.931 80 H LYS 444 HN LYS 444 1.274 -10.424 -5.643 81 HA LYS 444 HA LYS 444 -0.509 -9.964 -3.399 82 HB2 LYS 444 HB2 LYS 444 1.525 -9.440 -1.923 83 HB3 LYS 444 HB1 LYS 444 1.107 -11.130 -2.167 84 HG2 LYS 444 HG2 LYS 444 2.873 -11.394 -3.772 85 HG3 LYS 444 HG1 LYS 444 3.228 -9.667 -3.725 86 HD2 LYS 444 HD2 LYS 444 4.825 -10.990 -2.402 87 HD3 LYS 444 HD1 LYS 444 3.928 -9.839 -1.414 88 HE2 LYS 444 HE2 LYS 444 4.110 -11.967 -0.269 89 HE3 LYS 444 HE1 LYS 444 2.432 -11.645 -0.692 90 HZ1 LYS 444 HZ1 LYS 444 3.380 -13.971 -1.100 91 HZ2 LYS 444 HZ2 LYS 444 4.142 -13.290 -2.458 92 HZ3 LYS 444 HZ3 LYS 444 2.450 -13.269 -2.325 93 H THR 445 HN THR 445 -0.972 -7.881 -3.171 94 HA THR 445 HA THR 445 0.643 -5.939 -4.652 95 HB THR 445 HB THR 445 -2.083 -5.378 -3.505 96 HG1 THR 445 HG1 THR 445 -2.277 -7.221 -4.881 97 HG21 THR 445 HG21 THR 445 -2.174 -3.726 -5.307 98 HG22 THR 445 HG22 THR 445 -0.590 -4.251 -5.884 99 HG23 THR 445 HG23 THR 445 -0.743 -3.480 -4.301 100 H TYR 446 HN TYR 446 2.014 -4.743 -3.465 101 HA TYR 446 HA TYR 446 1.349 -4.468 -0.625 102 HB2 TYR 446 HB2 TYR 446 3.630 -4.201 -0.110 103 HB3 TYR 446 HB1 TYR 446 3.517 -5.573 -1.189 104 HD1 TYR 446 HD1 TYR 446 4.098 -5.095 -3.708 105 HD2 TYR 446 HD2 TYR 446 5.169 -2.542 -0.476 106 HE1 TYR 446 HE1 TYR 446 5.917 -4.135 -5.065 107 HE2 TYR 446 HE2 TYR 446 6.978 -1.575 -1.828 108 HH TYR 446 HH TYR 446 8.431 -2.452 -3.845 109 H TYR 447 HN TYR 447 0.752 -2.629 0.131 110 HA TYR 447 HA TYR 447 1.267 -0.228 -1.447 111 HB2 TYR 447 HB2 TYR 447 -0.509 -0.633 0.971 112 HB3 TYR 447 HB1 TYR 447 -0.340 0.871 0.080 113 HD1 TYR 447 HD2 TYR 447 -1.190 -2.727 -0.636 114 HD2 TYR 447 HD1 TYR 447 -2.019 1.382 -1.391 115 HE1 TYR 447 HE2 TYR 447 -3.066 -3.375 -2.074 116 HE2 TYR 447 HE1 TYR 447 -3.903 0.735 -2.830 117 HH TYR 447 HH TYR 447 -4.604 -1.220 -4.177 118 H TYR 448 HN TYR 448 3.500 -0.084 -0.940 119 HA TYR 448 HA TYR 448 4.191 0.413 1.833 120 HB2 TYR 448 HB2 TYR 448 5.889 -0.717 0.622 121 HB3 TYR 448 HB1 TYR 448 5.788 0.410 -0.724 122 HD1 TYR 448 HD1 TYR 448 6.182 1.019 2.964 123 HD2 TYR 448 HD2 TYR 448 7.850 1.408 -0.935 124 HE1 TYR 448 HE1 TYR 448 8.055 2.337 3.902 125 HE2 TYR 448 HE2 TYR 448 9.717 2.708 -0.012 126 HH TYR 448 HH TYR 448 10.467 2.816 3.219 127 H ASN 449 HN ASN 449 4.164 2.261 2.785 128 HA ASN 449 HA ASN 449 3.716 4.670 1.163 129 HB2 ASN 449 HB2 ASN 449 1.653 4.293 2.113 130 HB3 ASN 449 HB1 ASN 449 2.337 3.585 3.573 131 HD21 ASN 449 HD21 ASN 449 1.685 6.570 1.874 132 HD22 ASN 449 HD22 ASN 449 1.771 7.586 3.269 133 H ASN 450 HN ASN 450 4.693 6.528 1.727 134 HA ASN 450 HA ASN 450 6.940 6.312 3.567 135 HB2 ASN 450 HB2 ASN 450 7.601 7.125 1.462 136 HB3 ASN 450 HB1 ASN 450 6.202 8.180 1.327 137 HD21 ASN 450 HD21 ASN 450 6.246 10.186 2.224 138 HD22 ASN 450 HD22 ASN 450 7.694 10.897 2.879 139 H ARG 451 HN ARG 451 3.784 7.539 3.534 140 HA ARG 451 HA ARG 451 4.036 9.809 5.142 141 HB2 ARG 451 HB2 ARG 451 1.799 7.989 4.538 142 HB3 ARG 451 HB1 ARG 451 1.646 9.020 5.957 143 HG2 ARG 451 HG2 ARG 451 2.159 9.918 3.128 144 HG3 ARG 451 HG1 ARG 451 0.671 10.134 4.060 145 HD2 ARG 451 HD2 ARG 451 1.816 11.557 5.636 146 HD3 ARG 451 HD1 ARG 451 3.358 11.259 4.840 147 HE ARG 451 HE ARG 451 1.326 12.453 3.164 148 HH11 ARG 451 HH11 ARG 451 3.974 13.008 5.384 149 HH12 ARG 451 HH12 ARG 451 4.318 14.598 4.782 150 HH21 ARG 451 HH21 ARG 451 1.769 14.550 2.365 151 HH22 ARG 451 HH22 ARG 451 3.061 15.486 3.075 152 H THR 452 HN THR 452 3.488 6.457 6.119 153 HA THR 452 HA THR 452 4.516 7.238 8.760 154 HB THR 452 HB THR 452 2.213 6.670 9.018 155 HG1 THR 452 HG1 THR 452 4.102 4.791 9.943 156 HG21 THR 452 HG21 THR 452 2.843 4.074 7.616 157 HG22 THR 452 HG22 THR 452 1.873 5.400 6.974 158 HG23 THR 452 HG23 THR 452 1.302 4.484 8.370 159 H LEU 453 HN LEU 453 5.434 5.738 6.040 160 HA LEU 453 HA LEU 453 6.987 4.201 5.447 161 HB2 LEU 453 HB2 LEU 453 7.745 4.761 8.261 162 HB3 LEU 453 HB1 LEU 453 8.423 3.322 7.526 163 HG LEU 453 HG LEU 453 9.833 5.443 7.419 164 HD11 LEU 453 HD11 LEU 453 10.002 3.337 5.964 165 HD12 LEU 453 HD12 LEU 453 10.776 4.807 5.373 166 HD13 LEU 453 HD13 LEU 453 9.222 4.301 4.710 167 HD21 LEU 453 HD21 LEU 453 9.328 7.019 5.661 168 HD22 LEU 453 HD22 LEU 453 7.971 6.954 6.788 169 HD23 LEU 453 HD23 LEU 453 7.871 6.118 5.234 170 H GLU 454 HN GLU 454 4.393 3.349 6.000 171 HA GLU 454 HA GLU 454 4.802 0.739 7.276 172 HB2 GLU 454 HB2 GLU 454 2.362 2.409 6.833 173 HB3 GLU 454 HB1 GLU 454 2.200 0.667 6.984 174 HG2 GLU 454 HG2 GLU 454 3.621 1.012 9.146 175 HG3 GLU 454 HG1 GLU 454 3.040 2.674 9.008 176 H SER 455 HN SER 455 4.815 -1.045 6.126 177 HA SER 455 HA SER 455 3.915 -0.978 3.369 178 HB2 SER 455 HB2 SER 455 4.725 -3.463 3.550 179 HB3 SER 455 HB1 SER 455 5.918 -2.165 3.485 180 HG SER 455 HG SER 455 5.387 -3.944 5.481 181 H THR 456 HN THR 456 1.781 -1.012 3.260 182 HA THR 456 HA THR 456 0.265 -2.735 5.077 183 HB THR 456 HB THR 456 -1.724 -1.453 4.186 184 HG1 THR 456 HG1 THR 456 0.109 -0.549 2.474 185 HG21 THR 456 HG21 THR 456 -1.125 0.670 5.412 186 HG22 THR 456 HG22 THR 456 0.503 0.012 5.596 187 HG23 THR 456 HG23 THR 456 -0.873 -0.822 6.317 188 H TRP 457 HN TRP 457 -0.513 -4.593 4.373 189 HA TRP 457 HA TRP 457 -0.430 -5.085 1.476 190 HB2 TRP 457 HB2 TRP 457 -0.051 -7.012 3.790 191 HB3 TRP 457 HB1 TRP 457 -0.060 -7.478 2.082 192 HD1 TRP 457 HD1 TRP 457 1.870 -5.025 4.380 193 HE1 TRP 457 HE1 TRP 457 4.256 -4.764 3.480 194 HE3 TRP 457 HE3 TRP 457 1.550 -8.106 0.306 195 HZ2 TRP 457 HZ2 TRP 457 5.783 -5.667 1.328 196 HZ3 TRP 457 HZ3 TRP 457 3.552 -8.382 -1.104 197 HH2 TRP 457 HH2 TRP 457 5.633 -7.208 -0.591 198 H GLU 458 HN GLU 458 -2.446 -4.524 3.986 199 HA GLU 458 HA GLU 458 -4.694 -5.536 2.386 200 HB2 GLU 458 HB2 GLU 458 -4.362 -5.721 5.106 201 HB3 GLU 458 HB1 GLU 458 -5.281 -4.228 4.966 202 HG2 GLU 458 HG2 GLU 458 -6.065 -6.970 4.027 203 HG3 GLU 458 HG1 GLU 458 -6.836 -5.986 5.268 204 H LYS 459 HN LYS 459 -6.073 -4.015 1.496 205 HA LYS 459 HA LYS 459 -4.833 -1.624 0.704 206 HB2 LYS 459 HB2 LYS 459 -7.754 -2.378 0.514 207 HB3 LYS 459 HB1 LYS 459 -6.951 -1.120 -0.418 208 HG2 LYS 459 HG2 LYS 459 -5.561 -2.768 -1.511 209 HG3 LYS 459 HG1 LYS 459 -6.261 -4.048 -0.518 210 HD2 LYS 459 HD2 LYS 459 -8.466 -3.579 -1.503 211 HD3 LYS 459 HD1 LYS 459 -7.732 -2.341 -2.526 212 HE2 LYS 459 HE2 LYS 459 -6.342 -4.004 -3.597 213 HE3 LYS 459 HE1 LYS 459 -6.961 -5.256 -2.522 214 HZ1 LYS 459 HZ1 LYS 459 -9.171 -4.901 -3.465 215 HZ2 LYS 459 HZ2 LYS 459 -8.046 -5.350 -4.657 216 HZ3 LYS 459 HZ3 LYS 459 -8.539 -3.734 -4.523 217 HA PRO 460 HA PRO 460 -5.360 1.064 4.213 218 HB2 PRO 460 HB2 PRO 460 -5.432 3.005 1.928 219 HB3 PRO 460 HB1 PRO 460 -4.536 3.099 3.449 220 HG2 PRO 460 HG2 PRO 460 -3.298 2.387 1.220 221 HG3 PRO 460 HG1 PRO 460 -2.933 1.566 2.751 222 HD2 PRO 460 HD2 PRO 460 -4.503 0.607 0.413 223 HD3 PRO 460 HD1 PRO 460 -3.505 -0.311 1.558 224 H GLN 461 HN GLN 461 -7.092 1.888 5.251 225 HA GLN 461 HA GLN 461 -9.606 1.961 3.744 226 HB2 GLN 461 HB2 GLN 461 -9.359 0.475 5.776 227 HB3 GLN 461 HB1 GLN 461 -9.263 1.939 6.743 228 HG2 GLN 461 HG2 GLN 461 -11.491 2.583 6.055 229 HG3 GLN 461 HG1 GLN 461 -11.591 1.182 4.989 230 HE21 GLN 461 HE21 GLN 461 -11.697 2.309 8.260 231 HE22 GLN 461 HE22 GLN 461 -12.254 0.835 8.972 232 H GLU 462 HN GLU 462 -7.279 4.001 5.127 233 HA GLU 462 HA GLU 462 -9.150 6.180 5.590 234 HB2 GLU 462 HB2 GLU 462 -7.118 7.520 6.144 235 HB3 GLU 462 HB1 GLU 462 -7.339 6.100 7.148 236 HG2 GLU 462 HG2 GLU 462 -5.474 6.133 4.781 237 HG3 GLU 462 HG1 GLU 462 -4.985 6.626 6.398 238 H LEU 463 HN LEU 463 -7.790 4.830 2.940 239 HA LEU 463 HA LEU 463 -7.733 7.387 1.480 240 HB2 LEU 463 HB2 LEU 463 -5.669 6.039 1.363 241 HB3 LEU 463 HB1 LEU 463 -6.584 4.709 0.681 242 HG LEU 463 HG LEU 463 -7.145 6.169 -1.268 243 HD11 LEU 463 HD11 LEU 463 -5.094 8.005 -0.039 244 HD12 LEU 463 HD12 LEU 463 -6.824 8.327 -0.165 245 HD13 LEU 463 HD13 LEU 463 -5.845 8.191 -1.626 246 HD21 LEU 463 HD21 LEU 463 -4.213 5.721 -0.729 247 HD22 LEU 463 HD22 LEU 463 -4.944 5.984 -2.312 248 HD23 LEU 463 HD23 LEU 463 -5.343 4.537 -1.386 249 H LYS 464 HN LYS 464 -9.528 4.570 2.003 250 HA LYS 464 HA LYS 464 -11.445 5.204 -0.027 251 HB2 LYS 464 HB2 LYS 464 -11.250 2.704 -0.873 252 HB3 LYS 464 HB1 LYS 464 -10.291 3.986 -1.600 253 HG2 LYS 464 HG2 LYS 464 -8.342 3.211 -0.738 254 HG3 LYS 464 HG1 LYS 464 -9.108 2.563 0.711 255 HD2 LYS 464 HD2 LYS 464 -9.384 1.354 -2.034 256 HD3 LYS 464 HD1 LYS 464 -8.188 0.839 -0.844 257 HE2 LYS 464 HE2 LYS 464 -11.188 0.701 -0.618 258 HE3 LYS 464 HE1 LYS 464 -10.054 -0.646 -0.695 259 HZ1 LYS 464 HZ1 LYS 464 -9.109 0.249 1.445 260 HZ2 LYS 464 HZ2 LYS 464 -10.663 -0.413 1.556 261 HZ3 LYS 464 HZ3 LYS 464 -10.462 1.272 1.531 Start of MODEL 18 1 H SER 433 HT1 SER 433 3.567 10.008 -4.296 2 HA SER 433 HA SER 433 0.663 9.434 -4.311 3 HB2 SER 433 HB2 SER 433 3.038 7.586 -4.694 4 HB3 SER 433 HB1 SER 433 1.335 7.127 -4.752 5 HG SER 433 HG SER 433 2.501 7.546 -6.821 6 H GLU 434 HN GLU 434 -0.130 9.172 -2.320 7 HA GLU 434 HA GLU 434 1.741 8.918 -0.110 8 HB2 GLU 434 HB2 GLU 434 -0.189 9.344 1.347 9 HB3 GLU 434 HB1 GLU 434 -0.012 10.585 0.119 10 HG2 GLU 434 HG2 GLU 434 -1.941 8.290 -0.106 11 HG3 GLU 434 HG1 GLU 434 -2.355 9.852 0.593 12 H TRP 435 HN TRP 435 -0.744 7.041 -1.722 13 HA TRP 435 HA TRP 435 0.154 4.736 -0.122 14 HB2 TRP 435 HB2 TRP 435 -2.623 5.022 -1.305 15 HB3 TRP 435 HB1 TRP 435 -2.049 3.749 -0.234 16 HD1 TRP 435 HD1 TRP 435 -3.884 6.938 -0.177 17 HE1 TRP 435 HE1 TRP 435 -4.121 7.835 2.228 18 HE3 TRP 435 HE3 TRP 435 -0.564 3.849 2.174 19 HZ2 TRP 435 HZ2 TRP 435 -3.044 7.301 4.778 20 HZ3 TRP 435 HZ3 TRP 435 -0.219 4.117 4.592 21 HH2 TRP 435 HH2 TRP 435 -1.410 5.818 5.867 22 H THR 436 HN THR 436 1.603 3.848 -1.509 23 HA THR 436 HA THR 436 0.967 3.707 -4.344 24 HB THR 436 HB THR 436 3.450 2.923 -2.812 25 HG1 THR 436 HG1 THR 436 4.242 4.801 -3.574 26 HG21 THR 436 HG21 THR 436 4.509 2.510 -4.989 27 HG22 THR 436 HG22 THR 436 2.975 2.811 -5.802 28 HG23 THR 436 HG23 THR 436 3.149 1.411 -4.740 29 H GLU 437 HN GLU 437 -0.494 2.140 -4.771 30 HA GLU 437 HA GLU 437 -0.028 -0.520 -3.706 31 HB2 GLU 437 HB2 GLU 437 -2.012 -1.168 -5.087 32 HB3 GLU 437 HB1 GLU 437 -2.337 0.028 -3.845 33 HG2 GLU 437 HG2 GLU 437 -2.662 1.725 -5.380 34 HG3 GLU 437 HG1 GLU 437 -1.750 0.892 -6.641 35 H ARG 438 HN ARG 438 1.932 -1.040 -4.594 36 HA ARG 438 HA ARG 438 2.075 -1.182 -7.506 37 HB2 ARG 438 HB2 ARG 438 4.038 -0.339 -6.230 38 HB3 ARG 438 HB1 ARG 438 4.170 -1.910 -5.451 39 HG2 ARG 438 HG2 ARG 438 4.547 -2.948 -7.642 40 HG3 ARG 438 HG1 ARG 438 4.468 -1.351 -8.394 41 HD2 ARG 438 HD2 ARG 438 6.377 -0.629 -7.061 42 HD3 ARG 438 HD1 ARG 438 6.448 -2.212 -6.293 43 HE ARG 438 HE ARG 438 6.724 -2.067 -9.205 44 HH11 ARG 438 HH11 ARG 438 8.152 -2.563 -6.057 45 HH12 ARG 438 HH12 ARG 438 9.606 -3.297 -6.674 46 HH21 ARG 438 HH21 ARG 438 8.635 -3.010 -10.047 47 HH22 ARG 438 HH22 ARG 438 9.883 -3.552 -8.959 48 H LYS 439 HN LYS 439 1.088 -2.898 -8.343 49 HA LYS 439 HA LYS 439 0.916 -5.298 -6.730 50 HB2 LYS 439 HB2 LYS 439 -0.659 -6.107 -8.495 51 HB3 LYS 439 HB1 LYS 439 -1.175 -4.654 -7.656 52 HG2 LYS 439 HG2 LYS 439 -0.288 -3.338 -9.602 53 HG3 LYS 439 HG1 LYS 439 -0.068 -4.877 -10.441 54 HD2 LYS 439 HD2 LYS 439 -2.185 -3.934 -11.098 55 HD3 LYS 439 HD1 LYS 439 -2.482 -5.353 -10.094 56 HE2 LYS 439 HE2 LYS 439 -3.994 -3.667 -9.369 57 HE3 LYS 439 HE1 LYS 439 -2.735 -3.790 -8.140 58 HZ1 LYS 439 HZ1 LYS 439 -3.089 -1.502 -8.502 59 HZ2 LYS 439 HZ2 LYS 439 -3.086 -1.674 -10.187 60 HZ3 LYS 439 HZ3 LYS 439 -1.641 -1.861 -9.320 61 H THR 440 HN THR 440 2.649 -6.423 -6.746 62 HA THR 440 HA THR 440 4.140 -6.913 -9.191 63 HB THR 440 HB THR 440 5.674 -8.207 -7.739 64 HG1 THR 440 HG1 THR 440 4.975 -7.639 -5.332 65 HG21 THR 440 HG21 THR 440 5.843 -5.694 -7.984 66 HG22 THR 440 HG22 THR 440 6.604 -6.374 -6.548 67 HG23 THR 440 HG23 THR 440 5.038 -5.574 -6.415 68 H ALA 441 HN ALA 441 4.512 -9.006 -10.044 69 HA ALA 441 HA ALA 441 2.166 -10.636 -10.090 70 HB1 ALA 441 HB1 ALA 441 3.364 -11.967 -11.735 71 HB2 ALA 441 HB2 ALA 441 4.860 -11.114 -11.355 72 HB3 ALA 441 HB3 ALA 441 3.513 -10.245 -12.089 73 H ASP 442 HN ASP 442 4.229 -10.421 -7.723 74 HA ASP 442 HA ASP 442 4.751 -13.190 -7.133 75 HB2 ASP 442 HB2 ASP 442 6.150 -11.283 -6.272 76 HB3 ASP 442 HB1 ASP 442 4.789 -10.794 -5.270 77 H GLY 443 HN GLY 443 2.067 -11.299 -7.257 78 HA2 GLY 443 HA2 GLY 443 -0.119 -12.014 -6.835 79 HA3 GLY 443 HA1 GLY 443 0.515 -13.236 -5.742 80 H LYS 444 HN LYS 444 1.308 -9.796 -5.663 81 HA LYS 444 HA LYS 444 -0.267 -9.496 -3.219 82 HB2 LYS 444 HB2 LYS 444 2.724 -9.089 -3.336 83 HB3 LYS 444 HB1 LYS 444 1.697 -8.602 -1.995 84 HG2 LYS 444 HG2 LYS 444 1.117 -10.899 -1.553 85 HG3 LYS 444 HG1 LYS 444 2.038 -11.430 -2.961 86 HD2 LYS 444 HD2 LYS 444 4.088 -10.557 -1.931 87 HD3 LYS 444 HD1 LYS 444 3.156 -10.064 -0.515 88 HE2 LYS 444 HE2 LYS 444 4.303 -12.192 -0.140 89 HE3 LYS 444 HE1 LYS 444 2.551 -12.381 -0.084 90 HZ1 LYS 444 HZ1 LYS 444 4.223 -12.979 -2.471 91 HZ2 LYS 444 HZ2 LYS 444 2.571 -13.303 -2.278 92 HZ3 LYS 444 HZ3 LYS 444 3.708 -14.141 -1.347 93 H THR 445 HN THR 445 -1.372 -7.683 -3.449 94 HA THR 445 HA THR 445 -0.238 -5.386 -4.834 95 HB THR 445 HB THR 445 -2.413 -4.286 -4.130 96 HG1 THR 445 HG1 THR 445 -2.811 -5.815 -2.398 97 HG21 THR 445 HG21 THR 445 -3.773 -5.468 -5.788 98 HG22 THR 445 HG22 THR 445 -2.612 -6.796 -5.795 99 HG23 THR 445 HG23 THR 445 -2.129 -5.201 -6.374 100 H TYR 446 HN TYR 446 1.457 -4.651 -3.528 101 HA TYR 446 HA TYR 446 0.809 -4.280 -0.705 102 HB2 TYR 446 HB2 TYR 446 3.081 -4.173 -0.212 103 HB3 TYR 446 HB1 TYR 446 2.940 -5.436 -1.413 104 HD1 TYR 446 HD1 TYR 446 3.821 -5.044 -3.720 105 HD2 TYR 446 HD2 TYR 446 4.342 -2.204 -0.594 106 HE1 TYR 446 HE1 TYR 446 5.645 -3.977 -4.989 107 HE2 TYR 446 HE2 TYR 446 6.154 -1.132 -1.859 108 HH TYR 446 HH TYR 446 7.791 -1.777 -3.596 109 H TYR 447 HN TYR 447 0.506 -2.435 0.208 110 HA TYR 447 HA TYR 447 0.942 -0.016 -1.373 111 HB2 TYR 447 HB2 TYR 447 -0.737 -0.493 1.100 112 HB3 TYR 447 HB1 TYR 447 -0.506 1.082 0.354 113 HD1 TYR 447 HD2 TYR 447 -1.547 -2.369 -0.725 114 HD2 TYR 447 HD1 TYR 447 -2.228 1.826 -0.964 115 HE1 TYR 447 HE2 TYR 447 -3.484 -2.773 -2.188 116 HE2 TYR 447 HE1 TYR 447 -4.168 1.430 -2.419 117 HH TYR 447 HH TYR 447 -4.935 -0.378 -4.017 118 H TYR 448 HN TYR 448 3.190 0.232 -1.011 119 HA TYR 448 HA TYR 448 4.042 0.646 1.722 120 HB2 TYR 448 HB2 TYR 448 5.767 -0.256 0.407 121 HB3 TYR 448 HB1 TYR 448 5.425 0.818 -0.946 122 HD1 TYR 448 HD1 TYR 448 6.273 1.311 2.693 123 HD2 TYR 448 HD2 TYR 448 7.121 2.297 -1.363 124 HE1 TYR 448 HE1 TYR 448 8.039 2.873 3.446 125 HE2 TYR 448 HE2 TYR 448 8.883 3.841 -0.625 126 HH TYR 448 HH TYR 448 10.109 3.876 2.518 127 H ASN 449 HN ASN 449 4.132 2.465 2.756 128 HA ASN 449 HA ASN 449 3.201 4.886 1.372 129 HB2 ASN 449 HB2 ASN 449 1.347 4.221 2.570 130 HB3 ASN 449 HB1 ASN 449 2.310 3.512 3.864 131 HD21 ASN 449 HD21 ASN 449 1.158 6.498 2.467 132 HD22 ASN 449 HD22 ASN 449 1.295 7.432 3.917 133 H ASN 450 HN ASN 450 4.063 6.822 1.951 134 HA ASN 450 HA ASN 450 6.560 6.694 3.459 135 HB2 ASN 450 HB2 ASN 450 6.519 7.686 1.162 136 HB3 ASN 450 HB1 ASN 450 5.449 8.945 1.765 137 HD21 ASN 450 HD21 ASN 450 6.846 10.602 1.320 138 HD22 ASN 450 HD22 ASN 450 8.321 10.857 2.184 139 H ARG 451 HN ARG 451 3.340 7.526 3.971 140 HA ARG 451 HA ARG 451 3.561 9.764 5.644 141 HB2 ARG 451 HB2 ARG 451 1.533 7.563 5.621 142 HB3 ARG 451 HB1 ARG 451 1.450 8.907 6.750 143 HG2 ARG 451 HG2 ARG 451 1.316 9.057 3.745 144 HG3 ARG 451 HG1 ARG 451 0.006 9.346 4.889 145 HD2 ARG 451 HD2 ARG 451 2.500 10.994 4.522 146 HD3 ARG 451 HD1 ARG 451 0.853 11.452 4.095 147 HE ARG 451 HE ARG 451 0.979 10.859 6.848 148 HH11 ARG 451 HH11 ARG 451 1.989 13.286 4.540 149 HH12 ARG 451 HH12 ARG 451 2.033 14.571 5.713 150 HH21 ARG 451 HH21 ARG 451 1.056 12.527 8.405 151 HH22 ARG 451 HH22 ARG 451 1.482 14.144 7.914 152 H THR 452 HN THR 452 3.536 6.324 6.471 153 HA THR 452 HA THR 452 4.828 7.041 9.020 154 HB THR 452 HB THR 452 3.844 4.737 9.740 155 HG1 THR 452 HG1 THR 452 1.850 4.317 8.642 156 HG21 THR 452 HG21 THR 452 3.197 6.892 10.710 157 HG22 THR 452 HG22 THR 452 1.799 5.836 10.517 158 HG23 THR 452 HG23 THR 452 2.070 7.156 9.379 159 H LEU 453 HN LEU 453 5.533 5.795 6.094 160 HA LEU 453 HA LEU 453 7.133 4.432 5.225 161 HB2 LEU 453 HB2 LEU 453 8.142 4.854 7.990 162 HB3 LEU 453 HB1 LEU 453 8.841 3.532 7.077 163 HG LEU 453 HG LEU 453 10.099 5.728 6.992 164 HD11 LEU 453 HD11 LEU 453 10.209 3.806 5.306 165 HD12 LEU 453 HD12 LEU 453 10.793 5.384 4.780 166 HD13 LEU 453 HD13 LEU 453 9.202 4.821 4.275 167 HD21 LEU 453 HD21 LEU 453 9.283 7.435 5.483 168 HD22 LEU 453 HD22 LEU 453 8.109 7.177 6.775 169 HD23 LEU 453 HD23 LEU 453 7.826 6.491 5.170 170 H GLU 454 HN GLU 454 4.676 3.438 6.002 171 HA GLU 454 HA GLU 454 5.250 0.785 7.134 172 HB2 GLU 454 HB2 GLU 454 2.799 2.519 7.121 173 HB3 GLU 454 HB1 GLU 454 2.654 0.781 7.341 174 HG2 GLU 454 HG2 GLU 454 4.350 2.569 9.062 175 HG3 GLU 454 HG1 GLU 454 2.700 2.077 9.449 176 H SER 455 HN SER 455 4.947 -0.985 5.936 177 HA SER 455 HA SER 455 3.704 -0.663 3.314 178 HB2 SER 455 HB2 SER 455 4.650 -2.942 2.863 179 HB3 SER 455 HB1 SER 455 5.870 -1.721 3.223 180 HG SER 455 HG SER 455 6.388 -2.742 4.998 181 H THR 456 HN THR 456 1.617 -0.976 3.276 182 HA THR 456 HA THR 456 0.398 -2.814 5.206 183 HB THR 456 HB THR 456 -1.759 -1.734 4.486 184 HG1 THR 456 HG1 THR 456 -0.644 -0.936 2.456 185 HG21 THR 456 HG21 THR 456 0.282 0.248 5.500 186 HG22 THR 456 HG22 THR 456 -0.460 -1.002 6.497 187 HG23 THR 456 HG23 THR 456 -1.459 0.265 5.783 188 H TRP 457 HN TRP 457 0.102 -4.789 4.490 189 HA TRP 457 HA TRP 457 -0.262 -5.223 1.622 190 HB2 TRP 457 HB2 TRP 457 0.506 -7.158 3.837 191 HB3 TRP 457 HB1 TRP 457 0.378 -7.574 2.120 192 HD1 TRP 457 HD1 TRP 457 2.321 -5.053 4.335 193 HE1 TRP 457 HE1 TRP 457 4.581 -4.553 3.232 194 HE3 TRP 457 HE3 TRP 457 1.864 -7.985 0.162 195 HZ2 TRP 457 HZ2 TRP 457 5.968 -5.245 0.902 196 HZ3 TRP 457 HZ3 TRP 457 3.737 -8.029 -1.441 197 HH2 TRP 457 HH2 TRP 457 5.751 -6.704 -1.074 198 H GLU 458 HN GLU 458 -1.983 -4.648 4.230 199 HA GLU 458 HA GLU 458 -4.387 -5.794 2.979 200 HB2 GLU 458 HB2 GLU 458 -4.232 -6.330 5.370 201 HB3 GLU 458 HB1 GLU 458 -3.975 -4.635 5.754 202 HG2 GLU 458 HG2 GLU 458 -6.244 -5.280 6.264 203 HG3 GLU 458 HG1 GLU 458 -6.225 -4.112 4.944 204 H LYS 459 HN LYS 459 -5.800 -4.324 2.071 205 HA LYS 459 HA LYS 459 -4.642 -1.894 1.218 206 HB2 LYS 459 HB2 LYS 459 -7.496 -2.860 0.985 207 HB3 LYS 459 HB1 LYS 459 -6.808 -1.509 0.092 208 HG2 LYS 459 HG2 LYS 459 -5.298 -2.960 -1.064 209 HG3 LYS 459 HG1 LYS 459 -5.769 -4.328 -0.059 210 HD2 LYS 459 HD2 LYS 459 -8.059 -4.167 -0.978 211 HD3 LYS 459 HD1 LYS 459 -7.513 -2.862 -2.037 212 HE2 LYS 459 HE2 LYS 459 -5.979 -4.331 -3.155 213 HE3 LYS 459 HE1 LYS 459 -6.305 -5.626 -2.003 214 HZ1 LYS 459 HZ1 LYS 459 -8.623 -5.636 -2.807 215 HZ2 LYS 459 HZ2 LYS 459 -7.501 -6.051 -4.007 216 HZ3 LYS 459 HZ3 LYS 459 -8.197 -4.506 -4.004 217 HA PRO 460 HA PRO 460 -5.629 0.559 4.817 218 HB2 PRO 460 HB2 PRO 460 -4.916 2.963 3.614 219 HB3 PRO 460 HB1 PRO 460 -3.831 1.899 4.513 220 HG2 PRO 460 HG2 PRO 460 -4.164 2.225 1.588 221 HG3 PRO 460 HG1 PRO 460 -2.721 1.806 2.518 222 HD2 PRO 460 HD2 PRO 460 -4.145 -0.012 1.078 223 HD3 PRO 460 HD1 PRO 460 -3.221 -0.428 2.533 224 H GLN 461 HN GLN 461 -7.534 1.255 5.398 225 HA GLN 461 HA GLN 461 -9.602 1.643 3.476 226 HB2 GLN 461 HB2 GLN 461 -11.092 1.798 5.345 227 HB3 GLN 461 HB1 GLN 461 -9.924 0.533 5.683 228 HG2 GLN 461 HG2 GLN 461 -9.818 3.334 6.784 229 HG3 GLN 461 HG1 GLN 461 -10.426 1.925 7.645 230 HE21 GLN 461 HE21 GLN 461 -8.199 3.765 8.240 231 HE22 GLN 461 HE22 GLN 461 -6.797 2.757 8.413 232 H GLU 462 HN GLU 462 -7.388 3.797 4.934 233 HA GLU 462 HA GLU 462 -9.203 6.043 4.935 234 HB2 GLU 462 HB2 GLU 462 -7.369 7.350 5.784 235 HB3 GLU 462 HB1 GLU 462 -7.468 5.835 6.665 236 HG2 GLU 462 HG2 GLU 462 -5.612 4.963 5.275 237 HG3 GLU 462 HG1 GLU 462 -5.485 6.554 4.522 238 H LEU 463 HN LEU 463 -7.759 4.458 2.519 239 HA LEU 463 HA LEU 463 -6.939 6.678 0.882 240 HB2 LEU 463 HB2 LEU 463 -6.363 4.087 0.756 241 HB3 LEU 463 HB1 LEU 463 -7.796 4.039 -0.246 242 HG LEU 463 HG LEU 463 -5.475 5.867 -0.851 243 HD11 LEU 463 HD11 LEU 463 -4.659 3.576 -0.780 244 HD12 LEU 463 HD12 LEU 463 -4.718 4.175 -2.439 245 HD13 LEU 463 HD13 LEU 463 -5.964 3.070 -1.856 246 HD21 LEU 463 HD21 LEU 463 -7.706 4.761 -2.554 247 HD22 LEU 463 HD22 LEU 463 -6.395 5.798 -3.120 248 HD23 LEU 463 HD23 LEU 463 -7.575 6.418 -1.964 249 H LYS 464 HN LYS 464 -9.829 5.191 1.833 250 HA LYS 464 HA LYS 464 -12.009 5.601 1.499 251 HB2 LYS 464 HB2 LYS 464 -10.969 8.036 0.054 252 HB3 LYS 464 HB1 LYS 464 -12.677 7.726 0.333 253 HG2 LYS 464 HG2 LYS 464 -10.549 8.147 2.418 254 HG3 LYS 464 HG1 LYS 464 -11.859 9.248 1.996 255 HD2 LYS 464 HD2 LYS 464 -12.298 6.472 3.090 256 HD3 LYS 464 HD1 LYS 464 -12.210 7.912 4.099 257 HE2 LYS 464 HE2 LYS 464 -14.511 7.496 3.755 258 HE3 LYS 464 HE1 LYS 464 -14.102 8.851 2.708 259 HZ1 LYS 464 HZ1 LYS 464 -14.107 7.434 0.820 260 HZ2 LYS 464 HZ2 LYS 464 -15.530 7.115 1.673 261 HZ3 LYS 464 HZ3 LYS 464 -14.230 6.036 1.768 Start of MODEL 19 1 H SER 433 HT1 SER 433 1.915 10.260 -4.808 2 HA SER 433 HA SER 433 -0.572 10.470 -3.229 3 HB2 SER 433 HB2 SER 433 0.550 8.216 -4.914 4 HB3 SER 433 HB1 SER 433 -1.007 8.226 -4.086 5 HG SER 433 HG SER 433 -0.816 8.848 -6.478 6 H GLU 434 HN GLU 434 -0.463 9.818 -1.186 7 HA GLU 434 HA GLU 434 2.115 9.175 -0.102 8 HB2 GLU 434 HB2 GLU 434 0.921 9.296 2.079 9 HB3 GLU 434 HB1 GLU 434 0.709 10.726 1.075 10 HG2 GLU 434 HG2 GLU 434 -1.447 9.501 0.282 11 HG3 GLU 434 HG1 GLU 434 -1.253 8.601 1.783 12 H TRP 435 HN TRP 435 -0.312 7.271 -1.383 13 HA TRP 435 HA TRP 435 0.624 4.926 0.139 14 HB2 TRP 435 HB2 TRP 435 -2.091 5.148 -1.184 15 HB3 TRP 435 HB1 TRP 435 -1.543 3.909 -0.061 16 HD1 TRP 435 HD1 TRP 435 -3.437 7.074 -0.147 17 HE1 TRP 435 HE1 TRP 435 -3.774 8.010 2.222 18 HE3 TRP 435 HE3 TRP 435 -0.214 4.039 2.385 19 HZ2 TRP 435 HZ2 TRP 435 -2.784 7.549 4.817 20 HZ3 TRP 435 HZ3 TRP 435 0.040 4.352 4.805 21 HH2 TRP 435 HH2 TRP 435 -1.187 6.097 5.994 22 H THR 436 HN THR 436 1.885 3.691 -1.098 23 HA THR 436 HA THR 436 1.563 3.734 -3.995 24 HB THR 436 HB THR 436 3.643 2.400 -2.250 25 HG1 THR 436 HG1 THR 436 4.548 4.296 -2.410 26 HG21 THR 436 HG21 THR 436 3.283 1.063 -4.272 27 HG22 THR 436 HG22 THR 436 4.836 1.902 -4.358 28 HG23 THR 436 HG23 THR 436 3.454 2.509 -5.270 29 H GLU 437 HN GLU 437 -0.143 2.510 -4.600 30 HA GLU 437 HA GLU 437 -0.378 -0.169 -3.481 31 HB2 GLU 437 HB2 GLU 437 -2.466 -0.361 -4.736 32 HB3 GLU 437 HB1 GLU 437 -2.463 1.097 -3.765 33 HG2 GLU 437 HG2 GLU 437 -1.892 1.007 -6.721 34 HG3 GLU 437 HG1 GLU 437 -3.460 1.375 -6.010 35 H ARG 438 HN ARG 438 1.418 -1.207 -4.267 36 HA ARG 438 HA ARG 438 1.728 -1.201 -7.184 37 HB2 ARG 438 HB2 ARG 438 3.742 -0.578 -5.894 38 HB3 ARG 438 HB1 ARG 438 3.705 -2.150 -5.101 39 HG2 ARG 438 HG2 ARG 438 3.975 -3.246 -7.272 40 HG3 ARG 438 HG1 ARG 438 4.039 -1.669 -8.053 41 HD2 ARG 438 HD2 ARG 438 6.058 -1.125 -6.777 42 HD3 ARG 438 HD1 ARG 438 5.991 -2.713 -6.007 43 HE ARG 438 HE ARG 438 6.148 -2.543 -8.932 44 HH11 ARG 438 HH11 ARG 438 7.650 -3.380 -5.883 45 HH12 ARG 438 HH12 ARG 438 8.881 -4.369 -6.608 46 HH21 ARG 438 HH21 ARG 438 7.763 -3.829 -9.902 47 HH22 ARG 438 HH22 ARG 438 8.972 -4.596 -8.906 48 H LYS 439 HN LYS 439 1.007 -2.826 -8.276 49 HA LYS 439 HA LYS 439 0.377 -5.332 -6.933 50 HB2 LYS 439 HB2 LYS 439 -1.225 -4.197 -8.535 51 HB3 LYS 439 HB1 LYS 439 -0.097 -4.574 -9.828 52 HG2 LYS 439 HG2 LYS 439 -1.272 -6.704 -8.068 53 HG3 LYS 439 HG1 LYS 439 -2.094 -6.121 -9.512 54 HD2 LYS 439 HD2 LYS 439 0.737 -7.102 -9.633 55 HD3 LYS 439 HD1 LYS 439 -0.615 -8.231 -9.679 56 HE2 LYS 439 HE2 LYS 439 0.106 -7.713 -11.927 57 HE3 LYS 439 HE1 LYS 439 -1.503 -7.056 -11.650 58 HZ1 LYS 439 HZ1 LYS 439 -0.643 -4.881 -11.493 59 HZ2 LYS 439 HZ2 LYS 439 0.108 -5.573 -12.842 60 HZ3 LYS 439 HZ3 LYS 439 0.963 -5.422 -11.394 61 H THR 440 HN THR 440 2.076 -6.594 -6.673 62 HA THR 440 HA THR 440 4.166 -6.724 -8.687 63 HB THR 440 HB THR 440 5.237 -8.341 -7.105 64 HG1 THR 440 HG1 THR 440 3.085 -7.624 -5.370 65 HG21 THR 440 HG21 THR 440 5.778 -5.973 -6.992 66 HG22 THR 440 HG22 THR 440 5.743 -6.667 -5.369 67 HG23 THR 440 HG23 THR 440 4.391 -5.688 -5.939 68 H ALA 441 HN ALA 441 4.830 -8.673 -9.705 69 HA ALA 441 HA ALA 441 2.661 -10.007 -10.918 70 HB1 ALA 441 HB1 ALA 441 4.755 -9.518 -12.081 71 HB2 ALA 441 HB2 ALA 441 4.356 -11.233 -12.166 72 HB3 ALA 441 HB3 ALA 441 5.599 -10.669 -11.046 73 H ASP 442 HN ASP 442 4.269 -10.657 -8.024 74 HA ASP 442 HA ASP 442 3.931 -13.508 -8.026 75 HB2 ASP 442 HB2 ASP 442 5.597 -12.172 -6.616 76 HB3 ASP 442 HB1 ASP 442 4.229 -11.741 -5.597 77 H GLY 443 HN GLY 443 1.835 -10.945 -7.877 78 HA2 GLY 443 HA2 GLY 443 -0.495 -11.073 -7.686 79 HA3 GLY 443 HA1 GLY 443 -0.324 -12.615 -6.859 80 H LYS 444 HN LYS 444 1.437 -9.701 -5.988 81 HA LYS 444 HA LYS 444 -0.175 -9.560 -3.522 82 HB2 LYS 444 HB2 LYS 444 2.748 -8.831 -3.707 83 HB3 LYS 444 HB1 LYS 444 1.770 -8.976 -2.258 84 HG2 LYS 444 HG2 LYS 444 1.602 -11.410 -2.662 85 HG3 LYS 444 HG1 LYS 444 2.680 -11.220 -4.049 86 HD2 LYS 444 HD2 LYS 444 4.282 -10.084 -2.384 87 HD3 LYS 444 HD1 LYS 444 3.274 -10.815 -1.136 88 HE2 LYS 444 HE2 LYS 444 4.660 -12.320 -3.346 89 HE3 LYS 444 HE1 LYS 444 5.271 -12.157 -1.703 90 HZ1 LYS 444 HZ1 LYS 444 2.682 -13.426 -2.422 91 HZ2 LYS 444 HZ2 LYS 444 3.382 -13.354 -0.874 92 HZ3 LYS 444 HZ3 LYS 444 4.118 -14.262 -2.101 93 H THR 445 HN THR 445 -1.372 -7.745 -3.637 94 HA THR 445 HA THR 445 -0.244 -5.318 -4.792 95 HB THR 445 HB THR 445 -2.792 -5.213 -3.247 96 HG1 THR 445 HG1 THR 445 -3.704 -5.966 -5.478 97 HG21 THR 445 HG21 THR 445 -3.447 -3.751 -5.108 98 HG22 THR 445 HG22 THR 445 -1.936 -4.124 -5.936 99 HG23 THR 445 HG23 THR 445 -1.908 -3.247 -4.408 100 H TYR 446 HN TYR 446 1.394 -4.663 -3.410 101 HA TYR 446 HA TYR 446 0.675 -4.482 -0.581 102 HB2 TYR 446 HB2 TYR 446 2.940 -4.458 -0.014 103 HB3 TYR 446 HB1 TYR 446 2.803 -5.669 -1.267 104 HD1 TYR 446 HD1 TYR 446 3.606 -5.068 -3.615 105 HD2 TYR 446 HD2 TYR 446 4.378 -2.642 -0.206 106 HE1 TYR 446 HE1 TYR 446 5.460 -3.974 -4.809 107 HE2 TYR 446 HE2 TYR 446 6.226 -1.546 -1.393 108 HH TYR 446 HH TYR 446 7.739 -1.971 -3.223 109 H TYR 447 HN TYR 447 0.492 -2.665 0.440 110 HA TYR 447 HA TYR 447 0.897 -0.197 -1.066 111 HB2 TYR 447 HB2 TYR 447 -0.659 -0.762 1.466 112 HB3 TYR 447 HB1 TYR 447 -0.468 0.833 0.756 113 HD1 TYR 447 HD2 TYR 447 -1.584 -2.596 -0.443 114 HD2 TYR 447 HD1 TYR 447 -2.277 1.615 -0.369 115 HE1 TYR 447 HE2 TYR 447 -3.644 -2.906 -1.731 116 HE2 TYR 447 HE1 TYR 447 -4.336 1.295 -1.658 117 HH TYR 447 HH TYR 447 -5.367 -0.294 -3.145 118 H TYR 448 HN TYR 448 3.131 0.101 -0.790 119 HA TYR 448 HA TYR 448 4.159 0.334 1.899 120 HB2 TYR 448 HB2 TYR 448 5.740 -0.447 0.319 121 HB3 TYR 448 HB1 TYR 448 5.330 0.811 -0.840 122 HD1 TYR 448 HD1 TYR 448 6.324 0.911 2.780 123 HD2 TYR 448 HD2 TYR 448 7.156 2.138 -1.208 124 HE1 TYR 448 HE1 TYR 448 8.203 2.283 3.603 125 HE2 TYR 448 HE2 TYR 448 9.034 3.502 -0.404 126 HH TYR 448 HH TYR 448 10.345 3.185 2.670 127 H ASN 449 HN ASN 449 3.934 2.006 3.105 128 HA ASN 449 HA ASN 449 2.752 4.441 2.063 129 HB2 ASN 449 HB2 ASN 449 1.594 3.714 3.926 130 HB3 ASN 449 HB1 ASN 449 3.053 3.165 4.748 131 HD21 ASN 449 HD21 ASN 449 1.249 5.989 3.764 132 HD22 ASN 449 HD22 ASN 449 1.818 7.019 5.027 133 H ASN 450 HN ASN 450 3.648 6.412 2.057 134 HA ASN 450 HA ASN 450 6.455 6.611 2.905 135 HB2 ASN 450 HB2 ASN 450 5.507 7.156 0.481 136 HB3 ASN 450 HB1 ASN 450 5.147 8.709 1.226 137 HD21 ASN 450 HD21 ASN 450 6.979 8.171 -0.904 138 HD22 ASN 450 HD22 ASN 450 8.553 8.646 -0.362 139 H ARG 451 HN ARG 451 3.467 7.301 4.112 140 HA ARG 451 HA ARG 451 3.795 9.955 5.066 141 HB2 ARG 451 HB2 ARG 451 2.013 7.741 5.999 142 HB3 ARG 451 HB1 ARG 451 2.064 9.307 6.791 143 HG2 ARG 451 HG2 ARG 451 1.741 9.905 4.104 144 HG3 ARG 451 HG1 ARG 451 0.704 8.505 4.382 145 HD2 ARG 451 HD2 ARG 451 0.686 11.110 5.900 146 HD3 ARG 451 HD1 ARG 451 -0.550 10.526 4.789 147 HE ARG 451 HE ARG 451 0.048 9.295 7.410 148 HH11 ARG 451 HH11 ARG 451 -2.178 10.098 4.818 149 HH12 ARG 451 HH12 ARG 451 -3.581 9.558 5.699 150 HH21 ARG 451 HH21 ARG 451 -1.801 8.546 8.548 151 HH22 ARG 451 HH22 ARG 451 -3.368 8.636 7.784 152 H THR 452 HN THR 452 3.980 6.861 6.762 153 HA THR 452 HA THR 452 5.664 8.162 8.796 154 HB THR 452 HB THR 452 4.213 5.785 9.674 155 HG1 THR 452 HG1 THR 452 2.325 6.320 8.874 156 HG21 THR 452 HG21 THR 452 3.622 7.269 11.541 157 HG22 THR 452 HG22 THR 452 4.309 8.637 10.666 158 HG23 THR 452 HG23 THR 452 5.353 7.317 11.198 159 H LEU 453 HN LEU 453 5.814 6.111 6.306 160 HA LEU 453 HA LEU 453 7.152 4.425 5.625 161 HB2 LEU 453 HB2 LEU 453 8.559 5.232 8.117 162 HB3 LEU 453 HB1 LEU 453 8.941 3.655 7.459 163 HG LEU 453 HG LEU 453 10.432 5.649 6.798 164 HD11 LEU 453 HD11 LEU 453 10.121 3.293 5.690 165 HD12 LEU 453 HD12 LEU 453 11.041 4.553 4.869 166 HD13 LEU 453 HD13 LEU 453 9.374 4.234 4.399 167 HD21 LEU 453 HD21 LEU 453 9.703 6.991 4.951 168 HD22 LEU 453 HD22 LEU 453 8.501 7.142 6.235 169 HD23 LEU 453 HD23 LEU 453 8.184 6.100 4.843 170 H GLU 454 HN GLU 454 5.184 3.297 5.739 171 HA GLU 454 HA GLU 454 5.146 1.193 7.787 172 HB2 GLU 454 HB2 GLU 454 2.728 2.731 6.809 173 HB3 GLU 454 HB1 GLU 454 2.709 1.397 7.953 174 HG2 GLU 454 HG2 GLU 454 3.938 2.711 9.564 175 HG3 GLU 454 HG1 GLU 454 4.081 4.035 8.408 176 H SER 455 HN SER 455 5.003 -0.770 6.910 177 HA SER 455 HA SER 455 4.301 -0.980 4.086 178 HB2 SER 455 HB2 SER 455 6.347 -2.105 5.281 179 HB3 SER 455 HB1 SER 455 5.156 -3.302 5.793 180 HG SER 455 HG SER 455 6.368 -2.982 3.399 181 H THR 456 HN THR 456 2.222 -1.262 3.620 182 HA THR 456 HA THR 456 0.532 -2.694 5.565 183 HB THR 456 HB THR 456 -1.377 -1.307 4.558 184 HG1 THR 456 HG1 THR 456 0.621 -0.382 3.074 185 HG21 THR 456 HG21 THR 456 -0.891 0.646 6.008 186 HG22 THR 456 HG22 THR 456 0.750 0.030 6.226 187 HG23 THR 456 HG23 THR 456 -0.627 -0.906 6.810 188 H TRP 457 HN TRP 457 -0.052 -4.593 4.815 189 HA TRP 457 HA TRP 457 -0.285 -4.923 1.911 190 HB2 TRP 457 HB2 TRP 457 0.400 -6.939 4.072 191 HB3 TRP 457 HB1 TRP 457 0.177 -7.346 2.364 192 HD1 TRP 457 HD1 TRP 457 2.250 -4.708 4.321 193 HE1 TRP 457 HE1 TRP 457 4.518 -4.414 3.160 194 HE3 TRP 457 HE3 TRP 457 1.692 -8.161 0.579 195 HZ2 TRP 457 HZ2 TRP 457 5.873 -5.457 0.954 196 HZ3 TRP 457 HZ3 TRP 457 3.554 -8.473 -1.000 197 HH2 TRP 457 HH2 TRP 457 5.614 -7.166 -0.807 198 H GLU 458 HN GLU 458 -2.055 -4.231 4.361 199 HA GLU 458 HA GLU 458 -4.465 -5.616 3.420 200 HB2 GLU 458 HB2 GLU 458 -5.507 -4.583 5.442 201 HB3 GLU 458 HB1 GLU 458 -4.170 -5.656 5.840 202 HG2 GLU 458 HG2 GLU 458 -2.692 -3.680 6.026 203 HG3 GLU 458 HG1 GLU 458 -4.090 -2.647 5.739 204 H LYS 459 HN LYS 459 -6.241 -4.260 2.692 205 HA LYS 459 HA LYS 459 -5.377 -1.919 1.302 206 HB2 LYS 459 HB2 LYS 459 -8.187 -2.947 1.758 207 HB3 LYS 459 HB1 LYS 459 -7.743 -1.671 0.637 208 HG2 LYS 459 HG2 LYS 459 -6.338 -3.309 -0.587 209 HG3 LYS 459 HG1 LYS 459 -6.951 -4.569 0.485 210 HD2 LYS 459 HD2 LYS 459 -8.481 -4.809 -1.166 211 HD3 LYS 459 HD1 LYS 459 -9.278 -3.499 -0.294 212 HE2 LYS 459 HE2 LYS 459 -7.539 -3.276 -2.746 213 HE3 LYS 459 HE1 LYS 459 -9.271 -2.985 -2.639 214 HZ1 LYS 459 HZ1 LYS 459 -7.104 -1.352 -1.448 215 HZ2 LYS 459 HZ2 LYS 459 -8.746 -1.113 -1.104 216 HZ3 LYS 459 HZ3 LYS 459 -8.170 -0.900 -2.679 217 HA PRO 460 HA PRO 460 -6.001 0.832 4.817 218 HB2 PRO 460 HB2 PRO 460 -5.287 2.916 2.883 219 HB3 PRO 460 HB1 PRO 460 -4.486 2.470 4.391 220 HG2 PRO 460 HG2 PRO 460 -3.425 1.964 1.956 221 HG3 PRO 460 HG1 PRO 460 -3.133 0.937 3.369 222 HD2 PRO 460 HD2 PRO 460 -4.946 0.495 1.042 223 HD3 PRO 460 HD1 PRO 460 -3.989 -0.679 1.966 224 H GLN 461 HN GLN 461 -7.856 1.729 5.391 225 HA GLN 461 HA GLN 461 -10.024 2.052 3.580 226 HB2 GLN 461 HB2 GLN 461 -10.119 1.477 6.051 227 HB3 GLN 461 HB1 GLN 461 -9.790 3.171 6.374 228 HG2 GLN 461 HG2 GLN 461 -11.852 3.808 5.278 229 HG3 GLN 461 HG1 GLN 461 -12.173 2.122 4.865 230 HE21 GLN 461 HE21 GLN 461 -13.759 3.967 6.457 231 HE22 GLN 461 HE22 GLN 461 -13.939 3.227 8.013 232 H GLU 462 HN GLU 462 -7.377 3.944 4.246 233 HA GLU 462 HA GLU 462 -8.568 6.541 3.980 234 HB2 GLU 462 HB2 GLU 462 -6.468 6.044 5.274 235 HB3 GLU 462 HB1 GLU 462 -5.652 5.770 3.741 236 HG2 GLU 462 HG2 GLU 462 -5.152 7.975 4.522 237 HG3 GLU 462 HG1 GLU 462 -6.170 8.091 3.088 238 H LEU 463 HN LEU 463 -7.305 4.131 1.819 239 HA LEU 463 HA LEU 463 -7.530 6.067 -0.398 240 HB2 LEU 463 HB2 LEU 463 -5.210 5.218 0.074 241 HB3 LEU 463 HB1 LEU 463 -5.774 3.614 -0.362 242 HG LEU 463 HG LEU 463 -6.332 4.451 -2.626 243 HD11 LEU 463 HD11 LEU 463 -4.978 6.981 -1.702 244 HD12 LEU 463 HD12 LEU 463 -6.695 6.795 -2.059 245 HD13 LEU 463 HD13 LEU 463 -5.504 6.622 -3.347 246 HD21 LEU 463 HD21 LEU 463 -3.479 4.932 -1.783 247 HD22 LEU 463 HD22 LEU 463 -4.043 4.623 -3.426 248 HD23 LEU 463 HD23 LEU 463 -4.185 3.369 -2.196 249 H LYS 464 HN LYS 464 -9.010 3.537 1.021 250 HA LYS 464 HA LYS 464 -10.742 2.195 0.447 251 HB2 LYS 464 HB2 LYS 464 -10.626 3.450 -2.305 252 HB3 LYS 464 HB1 LYS 464 -11.978 2.577 -1.598 253 HG2 LYS 464 HG2 LYS 464 -10.889 5.219 -0.642 254 HG3 LYS 464 HG1 LYS 464 -12.361 4.980 -1.583 255 HD2 LYS 464 HD2 LYS 464 -13.412 3.819 0.211 256 HD3 LYS 464 HD1 LYS 464 -11.903 3.735 1.121 257 HE2 LYS 464 HE2 LYS 464 -13.388 5.455 2.013 258 HE3 LYS 464 HE1 LYS 464 -11.901 6.155 1.376 259 HZ1 LYS 464 HZ1 LYS 464 -13.902 7.411 0.767 260 HZ2 LYS 464 HZ2 LYS 464 -14.488 6.065 -0.088 261 HZ3 LYS 464 HZ3 LYS 464 -13.065 6.842 -0.595 Start of MODEL 20 1 H SER 433 HT1 SER 433 3.176 10.985 -4.043 2 HA SER 433 HA SER 433 0.402 10.467 -3.154 3 HB2 SER 433 HB2 SER 433 0.950 9.806 -5.519 4 HB3 SER 433 HB1 SER 433 2.228 8.772 -4.883 5 HG SER 433 HG SER 433 -0.559 8.496 -4.695 6 H GLU 434 HN GLU 434 0.321 9.595 -1.201 7 HA GLU 434 HA GLU 434 2.839 8.736 0.017 8 HB2 GLU 434 HB2 GLU 434 0.179 9.185 1.371 9 HB3 GLU 434 HB1 GLU 434 1.759 9.075 2.132 10 HG2 GLU 434 HG2 GLU 434 0.803 11.276 0.312 11 HG3 GLU 434 HG1 GLU 434 0.999 11.371 2.060 12 H TRP 435 HN TRP 435 0.296 7.338 -1.550 13 HA TRP 435 HA TRP 435 0.548 4.847 -0.004 14 HB2 TRP 435 HB2 TRP 435 -1.815 5.645 -1.726 15 HB3 TRP 435 HB1 TRP 435 -1.701 4.242 -0.665 16 HD1 TRP 435 HD1 TRP 435 -3.146 7.580 -0.709 17 HE1 TRP 435 HE1 TRP 435 -3.652 8.440 1.672 18 HE3 TRP 435 HE3 TRP 435 -0.474 4.152 1.970 19 HZ2 TRP 435 HZ2 TRP 435 -2.999 7.749 4.320 20 HZ3 TRP 435 HZ3 TRP 435 -0.439 4.338 4.417 21 HH2 TRP 435 HH2 TRP 435 -1.638 6.128 5.568 22 H THR 436 HN THR 436 1.893 3.536 -1.053 23 HA THR 436 HA THR 436 2.065 3.621 -3.955 24 HB THR 436 HB THR 436 3.597 1.912 -1.980 25 HG1 THR 436 HG1 THR 436 4.244 3.990 -1.663 26 HG21 THR 436 HG21 THR 436 3.545 0.887 -4.194 27 HG22 THR 436 HG22 THR 436 5.153 1.538 -3.867 28 HG23 THR 436 HG23 THR 436 4.050 2.411 -4.930 29 H GLU 437 HN GLU 437 0.160 2.704 -4.686 30 HA GLU 437 HA GLU 437 -0.417 -0.040 -3.895 31 HB2 GLU 437 HB2 GLU 437 -2.336 1.448 -4.279 32 HB3 GLU 437 HB1 GLU 437 -1.794 1.732 -5.928 33 HG2 GLU 437 HG2 GLU 437 -2.078 -0.679 -6.396 34 HG3 GLU 437 HG1 GLU 437 -2.723 -0.889 -4.771 35 H ARG 438 HN ARG 438 1.324 -1.162 -4.621 36 HA ARG 438 HA ARG 438 1.737 -1.155 -7.537 37 HB2 ARG 438 HB2 ARG 438 3.611 -0.157 -6.161 38 HB3 ARG 438 HB1 ARG 438 3.829 -1.743 -5.440 39 HG2 ARG 438 HG2 ARG 438 4.316 -2.665 -7.671 40 HG3 ARG 438 HG1 ARG 438 4.171 -1.037 -8.346 41 HD2 ARG 438 HD2 ARG 438 5.964 -0.294 -6.822 42 HD3 ARG 438 HD1 ARG 438 6.137 -1.947 -6.254 43 HE ARG 438 HE ARG 438 6.522 -1.346 -9.099 44 HH11 ARG 438 HH11 ARG 438 7.782 -2.362 -6.007 45 HH12 ARG 438 HH12 ARG 438 9.294 -2.927 -6.652 46 HH21 ARG 438 HH21 ARG 438 8.503 -2.071 -9.974 47 HH22 ARG 438 HH22 ARG 438 9.693 -2.795 -8.934 48 H LYS 439 HN LYS 439 1.070 -3.022 -8.394 49 HA LYS 439 HA LYS 439 0.958 -5.300 -6.581 50 HB2 LYS 439 HB2 LYS 439 -0.844 -6.160 -7.718 51 HB3 LYS 439 HB1 LYS 439 -1.107 -4.438 -7.906 52 HG2 LYS 439 HG2 LYS 439 0.116 -6.246 -9.977 53 HG3 LYS 439 HG1 LYS 439 -1.563 -5.716 -9.944 54 HD2 LYS 439 HD2 LYS 439 -0.854 -3.405 -10.206 55 HD3 LYS 439 HD1 LYS 439 0.838 -3.907 -10.181 56 HE2 LYS 439 HE2 LYS 439 -1.251 -4.571 -12.244 57 HE3 LYS 439 HE1 LYS 439 0.197 -3.587 -12.462 58 HZ1 LYS 439 HZ1 LYS 439 0.444 -5.829 -13.369 59 HZ2 LYS 439 HZ2 LYS 439 0.185 -6.497 -11.835 60 HZ3 LYS 439 HZ3 LYS 439 1.558 -5.542 -12.122 61 H THR 440 HN THR 440 2.439 -6.743 -6.643 62 HA THR 440 HA THR 440 4.123 -7.025 -8.994 63 HB THR 440 HB THR 440 5.419 -8.628 -7.616 64 HG1 THR 440 HG1 THR 440 3.241 -8.231 -5.858 65 HG21 THR 440 HG21 THR 440 5.885 -6.188 -7.518 66 HG22 THR 440 HG22 THR 440 6.305 -7.034 -6.031 67 HG23 THR 440 HG23 THR 440 4.827 -6.074 -6.110 68 H ALA 441 HN ALA 441 4.194 -8.784 -10.323 69 HA ALA 441 HA ALA 441 1.790 -10.268 -10.624 70 HB1 ALA 441 HB1 ALA 441 3.171 -9.587 -12.526 71 HB2 ALA 441 HB2 ALA 441 2.900 -11.331 -12.508 72 HB3 ALA 441 HB3 ALA 441 4.449 -10.675 -11.982 73 H ASP 442 HN ASP 442 4.178 -10.676 -8.449 74 HA ASP 442 HA ASP 442 4.356 -13.508 -8.294 75 HB2 ASP 442 HB2 ASP 442 5.972 -12.035 -7.187 76 HB3 ASP 442 HB1 ASP 442 4.700 -11.380 -6.163 77 H GLY 443 HN GLY 443 1.811 -11.408 -7.887 78 HA2 GLY 443 HA2 GLY 443 -0.399 -12.070 -7.499 79 HA3 GLY 443 HA1 GLY 443 0.195 -13.522 -6.708 80 H LYS 444 HN LYS 444 1.381 -10.339 -5.909 81 HA LYS 444 HA LYS 444 -0.370 -10.202 -3.589 82 HB2 LYS 444 HB2 LYS 444 1.591 -9.744 -2.079 83 HB3 LYS 444 HB1 LYS 444 1.418 -11.409 -2.608 84 HG2 LYS 444 HG2 LYS 444 3.262 -11.257 -4.051 85 HG3 LYS 444 HG1 LYS 444 3.269 -9.493 -3.991 86 HD2 LYS 444 HD2 LYS 444 5.086 -10.425 -2.645 87 HD3 LYS 444 HD1 LYS 444 3.923 -9.570 -1.633 88 HE2 LYS 444 HE2 LYS 444 4.282 -11.487 -0.410 89 HE3 LYS 444 HE1 LYS 444 2.857 -11.928 -1.345 90 HZ1 LYS 444 HZ1 LYS 444 4.454 -12.956 -2.982 91 HZ2 LYS 444 HZ2 LYS 444 4.335 -13.734 -1.477 92 HZ3 LYS 444 HZ3 LYS 444 5.665 -12.743 -1.809 93 H THR 445 HN THR 445 -1.069 -8.217 -3.282 94 HA THR 445 HA THR 445 0.305 -6.000 -4.588 95 HB THR 445 HB THR 445 -2.288 -5.723 -3.102 96 HG1 THR 445 HG1 THR 445 -1.809 -7.190 -5.422 97 HG21 THR 445 HG21 THR 445 -2.706 -4.008 -4.818 98 HG22 THR 445 HG22 THR 445 -1.147 -4.376 -5.557 99 HG23 THR 445 HG23 THR 445 -1.215 -3.695 -3.931 100 H TYR 446 HN TYR 446 1.498 -4.567 -3.452 101 HA TYR 446 HA TYR 446 1.051 -4.559 -0.550 102 HB2 TYR 446 HB2 TYR 446 3.329 -4.198 -0.113 103 HB3 TYR 446 HB1 TYR 446 3.247 -5.537 -1.230 104 HD1 TYR 446 HD1 TYR 446 3.767 -5.010 -3.726 105 HD2 TYR 446 HD2 TYR 446 4.680 -2.389 -0.502 106 HE1 TYR 446 HE1 TYR 446 5.466 -3.887 -5.116 107 HE2 TYR 446 HE2 TYR 446 6.370 -1.265 -1.880 108 HH TYR 446 HH TYR 446 7.727 -1.657 -3.795 109 H TYR 447 HN TYR 447 0.729 -2.730 0.431 110 HA TYR 447 HA TYR 447 0.965 -0.283 -1.154 111 HB2 TYR 447 HB2 TYR 447 -0.731 -0.927 1.259 112 HB3 TYR 447 HB1 TYR 447 -0.572 0.689 0.589 113 HD1 TYR 447 HD2 TYR 447 -1.525 -2.793 -0.471 114 HD2 TYR 447 HD1 TYR 447 -2.134 1.399 -0.952 115 HE1 TYR 447 HE2 TYR 447 -3.395 -3.239 -1.987 116 HE2 TYR 447 HE1 TYR 447 -4.010 0.951 -2.474 117 HH TYR 447 HH TYR 447 -4.829 -0.813 -3.925 118 H TYR 448 HN TYR 448 3.094 0.170 -0.825 119 HA TYR 448 HA TYR 448 4.095 0.485 1.868 120 HB2 TYR 448 HB2 TYR 448 5.698 -0.280 0.301 121 HB3 TYR 448 HB1 TYR 448 5.250 0.945 -0.877 122 HD1 TYR 448 HD1 TYR 448 6.071 1.431 2.742 123 HD2 TYR 448 HD2 TYR 448 7.252 2.024 -1.300 124 HE1 TYR 448 HE1 TYR 448 7.934 2.859 3.500 125 HE2 TYR 448 HE2 TYR 448 9.113 3.440 -0.557 126 HH TYR 448 HH TYR 448 10.110 3.612 2.684 127 H ASN 449 HN ASN 449 3.816 2.157 3.043 128 HA ASN 449 HA ASN 449 2.575 4.550 1.926 129 HB2 ASN 449 HB2 ASN 449 1.221 3.842 3.627 130 HB3 ASN 449 HB1 ASN 449 2.547 3.118 4.528 131 HD21 ASN 449 HD21 ASN 449 0.883 6.067 3.779 132 HD22 ASN 449 HD22 ASN 449 1.418 6.947 5.162 133 H ASN 450 HN ASN 450 3.439 6.521 2.003 134 HA ASN 450 HA ASN 450 6.181 6.768 3.005 135 HB2 ASN 450 HB2 ASN 450 4.590 8.533 1.130 136 HB3 ASN 450 HB1 ASN 450 6.235 8.869 1.654 137 HD21 ASN 450 HD21 ASN 450 5.257 8.479 -1.028 138 HD22 ASN 450 HD22 ASN 450 6.119 7.125 -1.674 139 H ARG 451 HN ARG 451 3.116 7.369 4.070 140 HA ARG 451 HA ARG 451 3.455 9.941 5.219 141 HB2 ARG 451 HB2 ARG 451 1.425 7.822 5.540 142 HB3 ARG 451 HB1 ARG 451 1.511 9.104 6.743 143 HG2 ARG 451 HG2 ARG 451 1.155 10.782 5.084 144 HG3 ARG 451 HG1 ARG 451 1.293 9.596 3.785 145 HD2 ARG 451 HD2 ARG 451 -1.035 10.258 4.284 146 HD3 ARG 451 HD1 ARG 451 -0.738 8.530 4.461 147 HE ARG 451 HE ARG 451 -0.403 9.456 6.983 148 HH11 ARG 451 HH11 ARG 451 -2.895 9.906 4.589 149 HH12 ARG 451 HH12 ARG 451 -4.192 9.956 5.736 150 HH21 ARG 451 HH21 ARG 451 -2.098 9.574 8.540 151 HH22 ARG 451 HH22 ARG 451 -3.737 9.806 7.997 152 H THR 452 HN THR 452 3.605 6.686 6.626 153 HA THR 452 HA THR 452 5.197 7.860 8.817 154 HB THR 452 HB THR 452 3.721 5.267 9.114 155 HG1 THR 452 HG1 THR 452 1.858 6.233 9.211 156 HG21 THR 452 HG21 THR 452 4.498 7.444 11.053 157 HG22 THR 452 HG22 THR 452 5.331 5.906 10.832 158 HG23 THR 452 HG23 THR 452 3.688 5.934 11.470 159 H LEU 453 HN LEU 453 5.506 6.172 6.071 160 HA LEU 453 HA LEU 453 7.024 4.728 5.175 161 HB2 LEU 453 HB2 LEU 453 8.269 5.257 7.827 162 HB3 LEU 453 HB1 LEU 453 8.818 3.843 6.953 163 HG LEU 453 HG LEU 453 10.158 6.003 6.669 164 HD11 LEU 453 HD11 LEU 453 10.173 3.915 5.200 165 HD12 LEU 453 HD12 LEU 453 10.789 5.409 4.498 166 HD13 LEU 453 HD13 LEU 453 9.172 4.846 4.085 167 HD21 LEU 453 HD21 LEU 453 9.363 7.584 5.035 168 HD22 LEU 453 HD22 LEU 453 8.181 7.468 6.342 169 HD23 LEU 453 HD23 LEU 453 7.883 6.650 4.803 170 H GLU 454 HN GLU 454 4.573 3.909 6.123 171 HA GLU 454 HA GLU 454 4.965 1.462 7.683 172 HB2 GLU 454 HB2 GLU 454 2.428 2.828 6.769 173 HB3 GLU 454 HB1 GLU 454 2.501 1.407 7.799 174 HG2 GLU 454 HG2 GLU 454 3.622 2.692 9.523 175 HG3 GLU 454 HG1 GLU 454 3.603 4.117 8.485 176 H SER 455 HN SER 455 5.140 -0.453 6.669 177 HA SER 455 HA SER 455 4.150 -0.695 3.940 178 HB2 SER 455 HB2 SER 455 6.391 -1.670 4.810 179 HB3 SER 455 HB1 SER 455 5.394 -2.919 5.557 180 HG SER 455 HG SER 455 6.076 -2.522 2.924 181 H THR 456 HN THR 456 2.073 -1.229 3.638 182 HA THR 456 HA THR 456 0.812 -2.978 5.630 183 HB THR 456 HB THR 456 -0.061 -0.858 6.233 184 HG1 THR 456 HG1 THR 456 -2.191 -1.620 4.591 185 HG21 THR 456 HG21 THR 456 0.540 0.458 4.291 186 HG22 THR 456 HG22 THR 456 -1.177 0.662 4.646 187 HG23 THR 456 HG23 THR 456 -0.670 -0.380 3.322 188 H TRP 457 HN TRP 457 -0.211 -4.642 4.822 189 HA TRP 457 HA TRP 457 -0.298 -4.796 1.888 190 HB2 TRP 457 HB2 TRP 457 0.354 -6.921 3.953 191 HB3 TRP 457 HB1 TRP 457 0.148 -7.256 2.228 192 HD1 TRP 457 HD1 TRP 457 2.163 -4.641 4.273 193 HE1 TRP 457 HE1 TRP 457 4.459 -4.313 3.178 194 HE3 TRP 457 HE3 TRP 457 1.743 -8.082 0.507 195 HZ2 TRP 457 HZ2 TRP 457 5.888 -5.336 1.014 196 HZ3 TRP 457 HZ3 TRP 457 3.655 -8.370 -1.018 197 HH2 TRP 457 HH2 TRP 457 5.694 -7.047 -0.763 198 H GLU 458 HN GLU 458 -2.156 -4.248 4.326 199 HA GLU 458 HA GLU 458 -4.511 -5.415 3.007 200 HB2 GLU 458 HB2 GLU 458 -4.438 -5.878 5.405 201 HB3 GLU 458 HB1 GLU 458 -4.164 -4.177 5.753 202 HG2 GLU 458 HG2 GLU 458 -6.375 -3.619 4.980 203 HG3 GLU 458 HG1 GLU 458 -6.656 -5.287 4.486 204 H LYS 459 HN LYS 459 -5.949 -3.979 2.052 205 HA LYS 459 HA LYS 459 -4.809 -1.615 1.051 206 HB2 LYS 459 HB2 LYS 459 -7.720 -2.431 1.015 207 HB3 LYS 459 HB1 LYS 459 -6.969 -1.227 -0.025 208 HG2 LYS 459 HG2 LYS 459 -5.470 -3.065 -0.871 209 HG3 LYS 459 HG1 LYS 459 -6.515 -4.198 -0.013 210 HD2 LYS 459 HD2 LYS 459 -8.437 -3.383 -1.308 211 HD3 LYS 459 HD1 LYS 459 -7.372 -2.272 -2.173 212 HE2 LYS 459 HE2 LYS 459 -6.053 -4.265 -2.918 213 HE3 LYS 459 HE1 LYS 459 -7.304 -5.284 -2.217 214 HZ1 LYS 459 HZ1 LYS 459 -8.910 -4.127 -3.705 215 HZ2 LYS 459 HZ2 LYS 459 -7.746 -5.047 -4.525 216 HZ3 LYS 459 HZ3 LYS 459 -7.598 -3.357 -4.458 217 HA PRO 460 HA PRO 460 -5.336 1.236 4.430 218 HB2 PRO 460 HB2 PRO 460 -5.349 3.116 2.109 219 HB3 PRO 460 HB1 PRO 460 -4.433 3.203 3.619 220 HG2 PRO 460 HG2 PRO 460 -3.252 2.419 1.373 221 HG3 PRO 460 HG1 PRO 460 -2.876 1.634 2.919 222 HD2 PRO 460 HD2 PRO 460 -4.519 0.644 0.638 223 HD3 PRO 460 HD1 PRO 460 -3.497 -0.260 1.773 224 H GLN 461 HN GLN 461 -7.130 1.784 5.411 225 HA GLN 461 HA GLN 461 -9.621 1.499 4.066 226 HB2 GLN 461 HB2 GLN 461 -10.654 1.782 6.226 227 HB3 GLN 461 HB1 GLN 461 -9.271 0.710 6.375 228 HG2 GLN 461 HG2 GLN 461 -9.319 3.624 7.143 229 HG3 GLN 461 HG1 GLN 461 -9.458 2.266 8.255 230 HE21 GLN 461 HE21 GLN 461 -7.637 0.943 8.609 231 HE22 GLN 461 HE22 GLN 461 -6.035 1.521 8.283 232 H GLU 462 HN GLU 462 -7.639 4.233 4.807 233 HA GLU 462 HA GLU 462 -9.885 6.060 4.569 234 HB2 GLU 462 HB2 GLU 462 -8.405 7.819 5.115 235 HB3 GLU 462 HB1 GLU 462 -7.967 6.473 6.151 236 HG2 GLU 462 HG2 GLU 462 -6.009 6.020 4.866 237 HG3 GLU 462 HG1 GLU 462 -6.523 7.134 3.599 238 H LEU 463 HN LEU 463 -7.859 4.441 2.473 239 HA LEU 463 HA LEU 463 -7.778 6.548 0.469 240 HB2 LEU 463 HB2 LEU 463 -5.849 5.019 0.814 241 HB3 LEU 463 HB1 LEU 463 -6.848 3.679 0.290 242 HG LEU 463 HG LEU 463 -7.078 4.750 -1.930 243 HD11 LEU 463 HD11 LEU 463 -5.075 6.725 -0.842 244 HD12 LEU 463 HD12 LEU 463 -6.756 7.071 -1.243 245 HD13 LEU 463 HD13 LEU 463 -5.621 6.619 -2.516 246 HD21 LEU 463 HD21 LEU 463 -5.355 3.068 -1.532 247 HD22 LEU 463 HD22 LEU 463 -4.238 4.328 -1.007 248 HD23 LEU 463 HD23 LEU 463 -4.799 4.287 -2.679 249 H LYS 464 HN LYS 464 -9.816 4.051 1.452 250 HA LYS 464 HA LYS 464 -11.473 4.430 -0.916 251 HB2 LYS 464 HB2 LYS 464 -11.965 1.901 -0.825 252 HB3 LYS 464 HB1 LYS 464 -10.467 2.423 -1.583 253 HG2 LYS 464 HG2 LYS 464 -9.162 1.643 0.156 254 HG3 LYS 464 HG1 LYS 464 -10.497 1.673 1.310 255 HD2 LYS 464 HD2 LYS 464 -10.281 -0.222 -1.031 256 HD3 LYS 464 HD1 LYS 464 -9.830 -0.619 0.629 257 HE2 LYS 464 HE2 LYS 464 -12.571 0.111 -0.394 258 HE3 LYS 464 HE1 LYS 464 -12.043 -1.457 0.216 259 HZ1 LYS 464 HZ1 LYS 464 -13.252 -0.402 1.939 260 HZ2 LYS 464 HZ2 LYS 464 -12.404 1.058 1.754 261 HZ3 LYS 464 HZ3 LYS 464 -11.615 -0.308 2.384
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