NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
24436 | 2k2m | 15710 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 473 H GLY 473 7.876 1.560 -12.822 2 HA2 GLY 473 1HA GLY 473 7.834 4.069 -14.351 3 HA3 GLY 473 2HA GLY 473 7.415 4.006 -12.630 4 HA PRO 474 HA PRO 474 12.071 4.506 -12.917 5 HB2 PRO 474 1HB PRO 474 12.304 6.991 -11.821 6 HB3 PRO 474 2HB PRO 474 11.943 6.736 -13.555 7 HG2 PRO 474 1HG PRO 474 9.977 7.304 -11.312 8 HG3 PRO 474 2HG PRO 474 10.106 8.124 -12.901 9 HD2 PRO 474 1HD PRO 474 8.329 6.103 -12.438 10 HD3 PRO 474 2HD PRO 474 9.131 6.301 -14.025 11 H LEU 475 H LEU 475 13.543 4.638 -11.074 12 HA LEU 475 HA LEU 475 12.477 3.353 -8.681 13 HB2 LEU 475 1HB LEU 475 15.257 4.363 -9.424 14 HB3 LEU 475 2HB LEU 475 14.896 3.454 -7.964 15 HG LEU 475 HG LEU 475 14.505 2.386 -10.795 16 HD11 LEU 475 1HD1 LEU 475 16.682 1.834 -8.735 17 HD12 LEU 475 2HD1 LEU 475 16.877 2.749 -10.246 18 HD13 LEU 475 3HD1 LEU 475 16.497 1.020 -10.306 19 HD21 LEU 475 3HD2 LEU 475 14.332 0.181 -9.649 20 HD22 LEU 475 1HD2 LEU 475 13.006 1.259 -9.203 21 HD23 LEU 475 2HD2 LEU 475 14.359 1.007 -8.075 22 H GLY 476 H GLY 476 13.975 6.541 -9.298 23 HA2 GLY 476 1HA GLY 476 14.080 8.484 -8.047 24 HA3 GLY 476 2HA GLY 476 12.854 7.863 -6.948 25 H SER 477 H SER 477 15.022 9.337 -6.042 26 HA SER 477 HA SER 477 16.182 7.658 -3.984 27 HB2 SER 477 1HB SER 477 17.997 8.642 -6.225 28 HB3 SER 477 2HB SER 477 18.603 8.226 -4.612 29 HG SER 477 HG SER 477 16.953 6.390 -5.911 30 H GLY 478 H GLY 478 14.588 9.657 -3.438 31 HA2 GLY 478 1HA GLY 478 16.274 11.733 -2.192 32 HA3 GLY 478 2HA GLY 478 15.240 12.306 -3.502 33 H ALA 479 H ALA 479 14.350 9.807 -1.114 34 HA ALA 479 HA ALA 479 11.910 11.285 -0.428 35 HB1 ALA 479 1HB ALA 479 11.796 8.921 -0.985 36 HB2 ALA 479 2HB ALA 479 12.924 8.515 0.328 37 HB3 ALA 479 3HB ALA 479 11.314 9.169 0.704 38 H LEU 480 H LEU 480 12.493 13.031 0.849 39 HA LEU 480 HA LEU 480 14.026 12.827 3.325 40 HB2 LEU 480 1HB LEU 480 12.104 14.967 2.320 41 HB3 LEU 480 2HB LEU 480 13.186 15.134 3.701 42 HG LEU 480 HG LEU 480 14.055 14.797 0.795 43 HD11 LEU 480 1HD1 LEU 480 14.831 17.111 1.021 44 HD12 LEU 480 2HD1 LEU 480 14.211 17.180 2.686 45 HD13 LEU 480 3HD1 LEU 480 13.091 17.002 1.310 46 HD21 LEU 480 3HD2 LEU 480 15.747 13.784 2.234 47 HD22 LEU 480 1HD2 LEU 480 15.709 15.187 3.329 48 HD23 LEU 480 2HD2 LEU 480 16.333 15.350 1.671 49 H LYS 481 H LYS 481 13.117 13.452 5.448 50 HA LYS 481 HA LYS 481 10.403 12.322 6.022 51 HB2 LYS 481 1HB LYS 481 12.983 11.499 7.408 52 HB3 LYS 481 2HB LYS 481 11.344 11.056 7.902 53 HG2 LYS 481 1HG LYS 481 11.032 9.969 5.620 54 HG3 LYS 481 2HG LYS 481 12.738 10.293 5.302 55 HD2 LYS 481 1HD LYS 481 12.633 8.035 6.032 56 HD3 LYS 481 2HD LYS 481 13.337 8.967 7.347 57 HE2 LYS 481 1HE LYS 481 11.817 7.434 8.343 58 HE3 LYS 481 2HE LYS 481 11.053 9.020 8.455 59 HZ1 LYS 481 3HZ LYS 481 9.503 7.291 7.697 60 HZ2 LYS 481 1HZ LYS 481 10.428 6.961 6.396 61 HZ3 LYS 481 2HZ LYS 481 9.678 8.412 6.524 62 H TRP 482 H TRP 482 9.896 14.549 6.115 63 HA TRP 482 HA TRP 482 10.833 16.277 8.263 64 HB2 TRP 482 1HB TRP 482 8.408 16.420 6.432 65 HB3 TRP 482 2HB TRP 482 8.917 17.690 7.529 66 HD1 TRP 482 HD1 TRP 482 10.186 15.879 4.361 67 HE1 TRP 482 HE1 TRP 482 11.734 17.450 3.056 68 HE3 TRP 482 HE3 TRP 482 10.296 19.812 7.628 69 HZ2 TRP 482 HZ2 TRP 482 12.889 20.073 3.390 70 HZ3 TRP 482 HZ3 TRP 482 11.595 21.862 7.095 71 HH2 TRP 482 HH2 TRP 482 12.903 22.000 4.985 72 H VAL 483 H VAL 483 9.431 17.179 9.905 73 HA VAL 483 HA VAL 483 7.176 15.469 10.860 74 HB VAL 483 HB VAL 483 7.868 16.003 13.212 75 HG11 VAL 483 1HG1 VAL 483 8.155 13.772 12.232 76 HG12 VAL 483 2HG1 VAL 483 9.768 14.225 11.643 77 HG13 VAL 483 3HG1 VAL 483 9.438 14.153 13.389 78 HG21 VAL 483 3HG2 VAL 483 10.586 16.645 12.002 79 HG22 VAL 483 1HG2 VAL 483 9.515 17.794 12.831 80 HG23 VAL 483 2HG2 VAL 483 10.218 16.437 13.719 81 H LEU 484 H LEU 484 5.491 16.473 11.720 82 HA LEU 484 HA LEU 484 5.328 19.452 11.522 83 HB2 LEU 484 1HB LEU 484 3.797 17.704 10.252 84 HB3 LEU 484 2HB LEU 484 2.973 17.555 11.785 85 HG LEU 484 HG LEU 484 3.348 20.190 10.248 86 HD11 LEU 484 1HD1 LEU 484 1.952 18.501 9.029 87 HD12 LEU 484 2HD1 LEU 484 1.019 19.907 9.554 88 HD13 LEU 484 3HD1 LEU 484 0.900 18.375 10.453 89 HD21 LEU 484 3HD2 LEU 484 2.930 20.700 12.541 90 HD22 LEU 484 1HD2 LEU 484 1.632 19.482 12.647 91 HD23 LEU 484 2HD2 LEU 484 1.426 20.947 11.663 92 H CYS 485 H CYS 485 5.261 20.558 13.439 93 HA CYS 485 HA CYS 485 5.370 19.177 15.993 94 HB2 CYS 485 1HB CYS 485 6.274 21.574 15.088 95 HB3 CYS 485 2HB CYS 485 4.751 22.106 15.798 96 HG CYS 485 HG CYS 485 5.322 21.803 18.190 97 H ASN 486 H ASN 486 3.747 19.119 17.667 98 HA ASN 486 HA ASN 486 0.971 19.910 16.810 99 HB2 ASN 486 1HB ASN 486 2.068 17.471 18.122 100 HB3 ASN 486 2HB ASN 486 0.652 18.149 18.903 101 HD21 ASN 486 2HD2 ASN 486 -0.159 15.949 18.228 102 HD22 ASN 486 1HD2 ASN 486 -0.949 15.889 16.658 103 H TYR 487 H TYR 487 3.405 20.669 19.097 104 HA TYR 487 HA TYR 487 1.577 22.595 20.416 105 HB2 TYR 487 1HB TYR 487 3.418 20.699 21.937 106 HB3 TYR 487 2HB TYR 487 2.402 21.953 22.634 107 HD1 TYR 487 HD1 TYR 487 -0.140 21.744 22.450 108 HD2 TYR 487 HD2 TYR 487 2.536 18.502 21.455 109 HE1 TYR 487 HE1 TYR 487 -2.049 20.148 22.510 110 HE2 TYR 487 HE2 TYR 487 0.628 16.906 21.542 111 HH TYR 487 HH TYR 487 -2.718 17.989 22.209 112 H ASP 488 H ASP 488 2.669 24.456 21.205 113 HA ASP 488 HA ASP 488 5.245 25.060 19.951 114 HB2 ASP 488 1HB ASP 488 3.882 26.743 22.051 115 HB3 ASP 488 2HB ASP 488 4.963 27.259 20.772 116 H PHE 489 H PHE 489 7.180 25.763 21.163 117 HA PHE 489 HA PHE 489 7.544 25.020 23.956 118 HB2 PHE 489 1HB PHE 489 7.601 22.794 22.929 119 HB3 PHE 489 2HB PHE 489 8.790 23.329 21.758 120 HD1 PHE 489 HD2 PHE 489 8.235 22.725 25.414 121 HD2 PHE 489 HD1 PHE 489 11.134 23.239 22.262 122 HE1 PHE 489 HE2 PHE 489 10.039 21.944 26.937 123 HE2 PHE 489 HE1 PHE 489 12.919 22.399 23.770 124 HZ PHE 489 HZ PHE 489 12.383 21.781 26.113 125 H GLN 490 H GLN 490 8.498 26.918 24.403 126 HA GLN 490 HA GLN 490 10.512 28.190 22.695 127 HB2 GLN 490 1HB GLN 490 9.323 28.701 25.425 128 HB3 GLN 490 2HB GLN 490 10.706 29.642 24.822 129 HG2 GLN 490 1HG GLN 490 9.405 30.391 22.884 130 HG3 GLN 490 2HG GLN 490 8.030 29.397 23.376 131 HE21 GLN 490 2HE2 GLN 490 6.701 30.110 25.171 132 HE22 GLN 490 1HE2 GLN 490 6.891 31.727 25.840 133 H ALA 491 H ALA 491 12.636 27.774 22.694 134 HA ALA 491 HA ALA 491 13.998 26.510 25.012 135 HB1 ALA 491 1HB ALA 491 14.542 24.593 23.994 136 HB2 ALA 491 2HB ALA 491 12.885 24.810 23.403 137 HB3 ALA 491 3HB ALA 491 14.250 25.194 22.338 138 H ARG 492 H ARG 492 15.783 27.703 25.272 139 HA ARG 492 HA ARG 492 17.572 28.450 23.006 140 HB2 ARG 492 1HB ARG 492 16.038 30.341 24.828 141 HB3 ARG 492 2HB ARG 492 17.593 30.849 24.207 142 HG2 ARG 492 1HG ARG 492 15.320 29.954 22.398 143 HG3 ARG 492 2HG ARG 492 15.601 31.620 22.876 144 HD2 ARG 492 1HD ARG 492 17.605 29.884 21.377 145 HD3 ARG 492 2HD ARG 492 16.509 31.051 20.629 146 HE ARG 492 HE ARG 492 17.807 32.579 22.509 147 HH11 ARG 492 1HH1 ARG 492 19.013 30.613 19.862 148 HH12 ARG 492 2HH1 ARG 492 20.453 31.585 19.689 149 HH21 ARG 492 1HH2 ARG 492 19.655 33.758 22.235 150 HH22 ARG 492 2HH2 ARG 492 20.798 33.319 20.993 151 H ASN 493 H ASN 493 17.606 26.647 25.432 152 HA ASN 493 HA ASN 493 19.101 27.724 27.545 153 HB2 ASN 493 1HB ASN 493 17.913 25.602 27.691 154 HB3 ASN 493 2HB ASN 493 18.993 24.863 26.505 155 HD21 ASN 493 2HD2 ASN 493 18.852 26.186 29.833 156 HD22 ASN 493 1HD2 ASN 493 20.289 25.330 30.374 157 H SER 494 H SER 494 20.498 25.929 24.784 158 HA SER 494 HA SER 494 22.932 27.475 24.725 159 HB2 SER 494 1HB SER 494 23.444 26.098 26.739 160 HB3 SER 494 2HB SER 494 23.205 24.626 25.788 161 HG SER 494 HG SER 494 25.415 25.302 25.969 162 H SER 495 H SER 495 21.668 24.190 23.987 163 HA SER 495 HA SER 495 22.276 24.605 21.088 164 HB2 SER 495 1HB SER 495 23.850 23.059 22.510 165 HB3 SER 495 2HB SER 495 22.524 21.894 22.399 166 HG SER 495 HG SER 495 24.127 21.765 20.699 167 H GLU 496 H GLU 496 19.811 24.782 22.873 168 HA GLU 496 HA GLU 496 17.936 22.891 21.513 169 HB2 GLU 496 1HB GLU 496 17.695 24.724 23.932 170 HB3 GLU 496 2HB GLU 496 16.332 23.905 23.161 171 HG2 GLU 496 1HG GLU 496 17.129 21.743 23.703 172 HG3 GLU 496 2HG GLU 496 18.717 22.356 24.180 173 H LEU 497 H LEU 497 15.907 23.895 20.699 174 HA LEU 497 HA LEU 497 16.092 26.731 19.856 175 HB2 LEU 497 1HB LEU 497 17.253 25.340 18.100 176 HB3 LEU 497 2HB LEU 497 15.824 24.323 17.996 177 HG LEU 497 HG LEU 497 14.650 26.685 17.366 178 HD11 LEU 497 1HD1 LEU 497 16.155 27.972 15.881 179 HD12 LEU 497 2HD1 LEU 497 17.530 27.007 16.449 180 HD13 LEU 497 3HD1 LEU 497 16.652 28.063 17.585 181 HD21 LEU 497 3HD2 LEU 497 14.619 24.649 16.014 182 HD22 LEU 497 1HD2 LEU 497 16.269 24.999 15.444 183 HD23 LEU 497 2HD2 LEU 497 14.918 26.086 15.038 184 H SER 498 H SER 498 14.232 27.718 19.866 185 HA SER 498 HA SER 498 11.828 26.573 20.782 186 HB2 SER 498 1HB SER 498 12.446 28.960 20.953 187 HB3 SER 498 2HB SER 498 12.264 29.133 19.204 188 HG SER 498 HG SER 498 10.106 28.978 19.405 189 H VAL 499 H VAL 499 9.917 26.032 19.838 190 HA VAL 499 HA VAL 499 9.613 25.997 16.878 191 HB VAL 499 HB VAL 499 8.664 23.721 16.925 192 HG11 VAL 499 1HG1 VAL 499 11.561 23.758 17.843 193 HG12 VAL 499 2HG1 VAL 499 10.748 22.496 16.897 194 HG13 VAL 499 3HG1 VAL 499 10.998 24.103 16.195 195 HG21 VAL 499 3HG2 VAL 499 8.167 23.536 19.367 196 HG22 VAL 499 1HG2 VAL 499 9.091 22.170 18.737 197 HG23 VAL 499 2HG2 VAL 499 9.915 23.425 19.682 198 H LYS 500 H LYS 500 7.419 25.580 16.179 199 HA LYS 500 HA LYS 500 5.315 26.559 18.080 200 HB2 LYS 500 1HB LYS 500 5.716 27.399 15.171 201 HB3 LYS 500 2HB LYS 500 4.425 27.946 16.227 202 HG2 LYS 500 1HG LYS 500 7.375 28.528 16.708 203 HG3 LYS 500 2HG LYS 500 6.266 29.574 15.821 204 HD2 LYS 500 1HD LYS 500 4.863 29.877 17.815 205 HD3 LYS 500 2HD LYS 500 5.871 28.746 18.725 206 HE2 LYS 500 1HE LYS 500 6.456 31.013 19.339 207 HE3 LYS 500 2HE LYS 500 7.815 30.242 18.517 208 HZ1 LYS 500 3HZ LYS 500 5.920 32.148 17.233 209 HZ2 LYS 500 1HZ LYS 500 7.230 31.483 16.507 210 HZ3 LYS 500 2HZ LYS 500 7.420 32.528 17.742 211 H GLN 501 H GLN 501 3.185 26.012 17.492 212 HA GLN 501 HA GLN 501 2.731 23.335 16.730 213 HB2 GLN 501 1HB GLN 501 1.279 24.687 18.178 214 HB3 GLN 501 2HB GLN 501 0.843 25.726 16.816 215 HG2 GLN 501 1HG GLN 501 -0.295 23.808 15.717 216 HG3 GLN 501 2HG GLN 501 0.151 22.766 17.067 217 HE21 GLN 501 2HE2 GLN 501 -2.245 24.881 15.819 218 HE22 GLN 501 1HE2 GLN 501 -3.170 25.065 17.303 219 H ARG 502 H ARG 502 3.061 26.046 14.604 220 HA ARG 502 HA ARG 502 2.098 24.412 12.278 221 HB2 ARG 502 1HB ARG 502 1.774 26.575 11.116 222 HB3 ARG 502 2HB ARG 502 0.804 26.466 12.583 223 HG2 ARG 502 1HG ARG 502 2.281 27.954 13.794 224 HG3 ARG 502 2HG ARG 502 3.524 27.844 12.545 225 HD2 ARG 502 1HD ARG 502 2.470 29.970 12.359 226 HD3 ARG 502 2HD ARG 502 2.034 29.003 10.942 227 HE ARG 502 HE ARG 502 -0.027 28.638 12.847 228 HH11 ARG 502 1HH1 ARG 502 1.243 31.327 10.982 229 HH12 ARG 502 2HH1 ARG 502 -0.287 32.167 10.981 230 HH21 ARG 502 1HH2 ARG 502 -1.952 29.762 12.795 231 HH22 ARG 502 2HH2 ARG 502 -2.041 31.299 11.977 232 H ASP 503 H ASP 503 4.921 24.876 13.724 233 HA ASP 503 HA ASP 503 6.543 25.611 11.383 234 HB2 ASP 503 1HB ASP 503 7.092 26.063 13.867 235 HB3 ASP 503 2HB ASP 503 7.537 24.359 13.963 236 H VAL 504 H VAL 504 8.007 24.154 10.356 237 HA VAL 504 HA VAL 504 7.503 21.251 10.597 238 HB VAL 504 HB VAL 504 5.904 21.926 8.933 239 HG11 VAL 504 1HG1 VAL 504 6.483 22.852 6.761 240 HG12 VAL 504 2HG1 VAL 504 6.950 23.987 8.031 241 HG13 VAL 504 3HG1 VAL 504 8.187 23.001 7.222 242 HG21 VAL 504 3HG2 VAL 504 6.515 20.407 7.154 243 HG22 VAL 504 1HG2 VAL 504 8.226 20.529 7.573 244 HG23 VAL 504 2HG2 VAL 504 7.087 19.752 8.699 245 H LEU 505 H LEU 505 9.299 20.135 10.545 246 HA LEU 505 HA LEU 505 11.840 21.420 9.654 247 HB2 LEU 505 1HB LEU 505 11.529 20.129 12.388 248 HB3 LEU 505 2HB LEU 505 12.885 21.018 11.717 249 HG LEU 505 HG LEU 505 11.136 23.045 11.661 250 HD11 LEU 505 1HD1 LEU 505 9.198 21.731 12.573 251 HD12 LEU 505 2HD1 LEU 505 9.706 22.990 13.700 252 HD13 LEU 505 3HD1 LEU 505 10.165 21.305 13.991 253 HD21 LEU 505 3HD2 LEU 505 12.003 23.788 13.787 254 HD22 LEU 505 1HD2 LEU 505 13.290 22.947 12.917 255 HD23 LEU 505 2HD2 LEU 505 12.444 22.134 14.248 256 H GLU 506 H GLU 506 13.652 19.937 9.563 257 HA GLU 506 HA GLU 506 12.751 17.206 8.747 258 HB2 GLU 506 1HB GLU 506 13.633 19.058 7.112 259 HB3 GLU 506 2HB GLU 506 15.220 18.558 7.656 260 HG2 GLU 506 1HG GLU 506 13.090 16.652 6.554 261 HG3 GLU 506 2HG GLU 506 14.219 17.511 5.518 262 H VAL 507 H VAL 507 13.544 15.474 9.734 263 HA VAL 507 HA VAL 507 15.068 15.883 12.153 264 HB VAL 507 HB VAL 507 14.104 13.275 10.916 265 HG11 VAL 507 1HG1 VAL 507 14.166 12.468 13.277 266 HG12 VAL 507 2HG1 VAL 507 15.772 12.890 12.690 267 HG13 VAL 507 3HG1 VAL 507 14.907 14.002 13.776 268 HG21 VAL 507 3HG2 VAL 507 12.742 15.089 12.962 269 HG22 VAL 507 1HG2 VAL 507 12.200 14.818 11.290 270 HG23 VAL 507 2HG2 VAL 507 12.181 13.487 12.438 271 H LEU 508 H LEU 508 17.099 15.590 12.577 272 HA LEU 508 HA LEU 508 18.981 14.587 10.482 273 HB2 LEU 508 1HB LEU 508 19.543 16.338 12.896 274 HB3 LEU 508 2HB LEU 508 20.594 16.050 11.512 275 HG LEU 508 HG LEU 508 17.971 17.618 11.464 276 HD11 LEU 508 1HD1 LEU 508 19.681 18.744 12.748 277 HD12 LEU 508 2HD1 LEU 508 19.479 19.552 11.198 278 HD13 LEU 508 3HD1 LEU 508 20.878 18.499 11.446 279 HD21 LEU 508 3HD2 LEU 508 20.102 17.300 9.304 280 HD22 LEU 508 1HD2 LEU 508 18.668 18.353 9.232 281 HD23 LEU 508 2HD2 LEU 508 18.466 16.599 9.258 282 H ASP 509 H ASP 509 18.062 14.255 13.892 283 HA ASP 509 HA ASP 509 19.508 11.700 14.074 284 HB2 ASP 509 1HB ASP 509 21.131 13.417 14.900 285 HB3 ASP 509 2HB ASP 509 19.949 13.928 16.109 286 H ASP 510 H ASP 510 18.461 10.260 15.284 287 HA ASP 510 HA ASP 510 16.178 11.020 17.028 288 HB2 ASP 510 1HB ASP 510 14.812 9.296 15.974 289 HB3 ASP 510 2HB ASP 510 15.285 10.531 14.824 290 H SER 511 H SER 511 19.024 9.977 17.438 291 HA SER 511 HA SER 511 19.012 7.244 18.244 292 HB2 SER 511 1HB SER 511 21.003 8.634 17.667 293 HB3 SER 511 2HB SER 511 20.798 9.522 19.189 294 HG SER 511 HG SER 511 22.323 7.804 19.327 295 H ARG 512 H ARG 512 18.148 10.159 20.002 296 HA ARG 512 HA ARG 512 17.215 8.606 22.373 297 HB2 ARG 512 1HB ARG 512 18.842 11.199 22.456 298 HB3 ARG 512 2HB ARG 512 18.085 10.407 23.839 299 HG2 ARG 512 1HG ARG 512 19.524 8.366 23.350 300 HG3 ARG 512 2HG ARG 512 20.407 9.363 22.175 301 HD2 ARG 512 1HD ARG 512 20.927 11.003 23.974 302 HD3 ARG 512 2HD ARG 512 20.037 9.994 25.129 303 HE ARG 512 HE ARG 512 22.290 8.734 23.659 304 HH11 ARG 512 1HH1 ARG 512 21.287 10.147 26.723 305 HH12 ARG 512 2HH1 ARG 512 22.620 9.418 27.582 306 HH21 ARG 512 1HH2 ARG 512 23.958 7.867 24.822 307 HH22 ARG 512 2HH2 ARG 512 24.089 8.179 26.533 308 H LYS 513 H LYS 513 15.807 10.005 23.752 309 HA LYS 513 HA LYS 513 13.519 10.951 22.497 310 HB2 LYS 513 1HB LYS 513 12.865 11.819 24.676 311 HB3 LYS 513 2HB LYS 513 13.654 10.251 24.802 312 HG2 LYS 513 1HG LYS 513 15.841 11.826 25.192 313 HG3 LYS 513 2HG LYS 513 14.599 12.967 25.719 314 HD2 LYS 513 1HD LYS 513 13.797 11.342 27.385 315 HD3 LYS 513 2HD LYS 513 14.907 10.110 26.739 316 HE2 LYS 513 1HE LYS 513 16.840 11.635 27.289 317 HE3 LYS 513 2HE LYS 513 15.702 12.734 28.082 318 HZ1 LYS 513 3HZ LYS 513 16.736 11.217 29.676 319 HZ2 LYS 513 1HZ LYS 513 16.197 9.906 28.869 320 HZ3 LYS 513 2HZ LYS 513 15.134 10.905 29.610 321 H TRP 514 H TRP 514 16.372 12.911 23.174 322 HA TRP 514 HA TRP 514 15.065 15.396 22.244 323 HB2 TRP 514 1HB TRP 514 17.900 14.788 23.117 324 HB3 TRP 514 2HB TRP 514 17.358 16.338 22.508 325 HD1 TRP 514 HD1 TRP 514 17.102 14.121 25.587 326 HE1 TRP 514 HE1 TRP 514 16.116 15.463 27.548 327 HE3 TRP 514 HE3 TRP 514 15.850 18.403 23.085 328 HZ2 TRP 514 HZ2 TRP 514 14.902 18.052 27.961 329 HZ3 TRP 514 HZ3 TRP 514 14.801 20.310 24.286 330 HH2 TRP 514 HH2 TRP 514 14.318 20.142 26.718 331 H TRP 515 H TRP 515 14.430 14.868 20.151 332 HA TRP 515 HA TRP 515 16.286 13.865 18.125 333 HB2 TRP 515 1HB TRP 515 13.526 15.143 17.994 334 HB3 TRP 515 2HB TRP 515 14.454 14.728 16.562 335 HD1 TRP 515 HD1 TRP 515 14.651 12.257 19.382 336 HE1 TRP 515 HE1 TRP 515 13.457 10.084 18.773 337 HE3 TRP 515 HE3 TRP 515 12.238 13.851 15.161 338 HZ2 TRP 515 HZ2 TRP 515 11.708 9.136 16.700 339 HZ3 TRP 515 HZ3 TRP 515 10.802 12.266 13.885 340 HH2 TRP 515 HH2 TRP 515 10.550 9.915 14.628 341 H LYS 516 H LYS 516 17.313 15.007 16.525 342 HA LYS 516 HA LYS 516 17.624 17.964 16.972 343 HB2 LYS 516 1HB LYS 516 19.689 16.398 17.120 344 HB3 LYS 516 2HB LYS 516 19.548 16.259 15.363 345 HG2 LYS 516 1HG LYS 516 19.684 18.769 15.199 346 HG3 LYS 516 2HG LYS 516 19.771 18.855 16.953 347 HD2 LYS 516 1HD LYS 516 21.943 19.183 16.281 348 HD3 LYS 516 2HD LYS 516 21.952 17.513 16.817 349 HE2 LYS 516 1HE LYS 516 21.548 18.228 13.880 350 HE3 LYS 516 2HE LYS 516 23.149 18.310 14.594 351 HZ1 LYS 516 3HZ LYS 516 22.823 16.164 13.591 352 HZ2 LYS 516 1HZ LYS 516 21.510 15.833 14.509 353 HZ3 LYS 516 2HZ LYS 516 22.995 15.972 15.197 354 H VAL 517 H VAL 517 16.954 19.307 15.449 355 HA VAL 517 HA VAL 517 16.137 18.306 12.752 356 HB VAL 517 HB VAL 517 14.045 19.662 13.014 357 HG11 VAL 517 1HG1 VAL 517 12.856 17.938 14.512 358 HG12 VAL 517 2HG1 VAL 517 13.637 17.394 13.032 359 HG13 VAL 517 3HG1 VAL 517 14.424 17.129 14.603 360 HG21 VAL 517 3HG2 VAL 517 14.661 21.028 14.972 361 HG22 VAL 517 1HG2 VAL 517 13.158 20.135 15.236 362 HG23 VAL 517 2HG2 VAL 517 14.656 19.570 15.990 363 H ARG 518 H ARG 518 15.746 19.985 11.204 364 HA ARG 518 HA ARG 518 17.203 22.568 11.712 365 HB2 ARG 518 1HB ARG 518 18.492 21.187 10.290 366 HB3 ARG 518 2HB ARG 518 17.120 20.789 9.254 367 HG2 ARG 518 1HG ARG 518 17.168 22.870 8.184 368 HG3 ARG 518 2HG ARG 518 17.956 23.679 9.538 369 HD2 ARG 518 1HD ARG 518 19.476 23.425 7.622 370 HD3 ARG 518 2HD ARG 518 20.073 22.609 9.077 371 HE ARG 518 HE ARG 518 18.642 20.676 7.611 372 HH11 ARG 518 1HH1 ARG 518 21.587 22.524 7.150 373 HH12 ARG 518 2HH1 ARG 518 22.297 21.303 6.123 374 HH21 ARG 518 1HH2 ARG 518 19.606 19.165 6.291 375 HH22 ARG 518 2HH2 ARG 518 21.204 19.457 5.660 376 H ASP 519 H ASP 519 16.026 24.237 11.719 377 HA ASP 519 HA ASP 519 13.269 24.414 10.787 378 HB2 ASP 519 1HB ASP 519 13.583 26.785 11.661 379 HB3 ASP 519 2HB ASP 519 13.924 25.518 12.825 380 HA PRO 520 HA PRO 520 13.951 26.127 6.785 381 HB2 PRO 520 1HB PRO 520 12.001 28.057 6.499 382 HB3 PRO 520 2HB PRO 520 11.695 26.296 6.544 383 HG2 PRO 520 1HG PRO 520 11.512 28.262 8.846 384 HG3 PRO 520 2HG PRO 520 10.288 27.055 8.323 385 HD2 PRO 520 1HD PRO 520 11.976 26.502 10.333 386 HD3 PRO 520 2HD PRO 520 11.605 25.248 9.124 387 H ALA 521 H ALA 521 14.580 28.230 9.462 388 HA ALA 521 HA ALA 521 15.505 30.489 7.798 389 HB1 ALA 521 1HB ALA 521 14.424 30.889 9.997 390 HB2 ALA 521 2HB ALA 521 15.762 30.032 10.797 391 HB3 ALA 521 3HB ALA 521 16.074 31.533 9.915 392 H GLY 522 H GLY 522 16.802 27.521 9.018 393 HA2 GLY 522 1HA GLY 522 18.744 26.626 7.949 394 HA3 GLY 522 2HA GLY 522 19.487 28.223 7.906 395 H GLN 523 H GLN 523 18.059 27.662 10.995 396 HA GLN 523 HA GLN 523 20.712 27.157 12.219 397 HB2 GLN 523 1HB GLN 523 17.982 27.717 13.432 398 HB3 GLN 523 2HB GLN 523 19.465 27.554 14.341 399 HG2 GLN 523 1HG GLN 523 19.107 29.662 12.159 400 HG3 GLN 523 2HG GLN 523 18.557 29.900 13.789 401 HE21 GLN 523 2HE2 GLN 523 20.973 30.930 11.940 402 HE22 GLN 523 1HE2 GLN 523 22.285 30.943 13.114 403 H GLU 524 H GLU 524 20.300 25.636 14.323 404 HA GLU 524 HA GLU 524 18.672 23.255 13.755 405 HB2 GLU 524 1HB GLU 524 21.686 23.126 14.191 406 HB3 GLU 524 2HB GLU 524 20.601 21.762 14.462 407 HG2 GLU 524 1HG GLU 524 19.950 21.750 12.095 408 HG3 GLU 524 2HG GLU 524 20.982 23.152 11.787 409 H GLY 525 H GLY 525 18.289 21.994 15.689 410 HA2 GLY 525 1HA GLY 525 19.703 22.447 18.113 411 HA3 GLY 525 2HA GLY 525 18.183 23.327 18.206 412 H TYR 526 H TYR 526 18.835 21.383 19.975 413 HA TYR 526 HA TYR 526 17.375 18.915 19.359 414 HB2 TYR 526 1HB TYR 526 18.660 20.018 21.884 415 HB3 TYR 526 2HB TYR 526 17.854 18.461 21.789 416 HD1 TYR 526 HD1 TYR 526 18.647 16.784 19.973 417 HD2 TYR 526 HD2 TYR 526 20.999 20.136 21.335 418 HE1 TYR 526 HE1 TYR 526 20.704 15.656 19.169 419 HE2 TYR 526 HE2 TYR 526 23.064 19.015 20.504 420 HH TYR 526 HH TYR 526 22.983 15.783 18.974 421 H VAL 527 H VAL 527 15.404 18.304 20.075 422 HA VAL 527 HA VAL 527 13.822 19.873 22.002 423 HB VAL 527 HB VAL 527 11.794 19.611 20.389 424 HG11 VAL 527 1HG1 VAL 527 12.011 21.840 19.566 425 HG12 VAL 527 2HG1 VAL 527 12.717 21.769 21.185 426 HG13 VAL 527 3HG1 VAL 527 13.774 21.810 19.759 427 HG21 VAL 527 3HG2 VAL 527 13.930 19.884 18.248 428 HG22 VAL 527 1HG2 VAL 527 13.062 18.377 18.589 429 HG23 VAL 527 2HG2 VAL 527 12.171 19.808 18.034 430 HA PRO 528 HA PRO 528 12.527 15.738 23.010 431 HB2 PRO 528 1HB PRO 528 10.073 16.107 24.184 432 HB3 PRO 528 2HB PRO 528 11.619 16.566 24.960 433 HG2 PRO 528 1HG PRO 528 9.691 18.346 23.449 434 HG3 PRO 528 2HG PRO 528 10.492 18.658 25.018 435 HD2 PRO 528 1HD PRO 528 11.437 19.665 22.661 436 HD3 PRO 528 2HD PRO 528 12.530 19.169 23.982 437 H TYR 529 H TYR 529 11.714 14.123 21.726 438 HA TYR 529 HA TYR 529 10.216 14.638 19.395 439 HB2 TYR 529 1HB TYR 529 10.318 12.392 18.955 440 HB3 TYR 529 2HB TYR 529 11.715 12.642 19.977 441 HD1 TYR 529 HD2 TYR 529 11.369 12.116 22.570 442 HD2 TYR 529 HD1 TYR 529 8.788 10.675 19.428 443 HE1 TYR 529 HE2 TYR 529 10.629 10.263 24.041 444 HE2 TYR 529 HE1 TYR 529 8.030 8.823 20.914 445 HH TYR 529 HH TYR 529 9.320 8.405 24.226 446 H ASN 530 H ASN 530 8.985 14.167 22.615 447 HA ASN 530 HA ASN 530 6.474 13.034 22.107 448 HB2 ASN 530 1HB ASN 530 7.649 13.274 24.307 449 HB3 ASN 530 2HB ASN 530 7.267 15.000 24.304 450 HD21 ASN 530 2HD2 ASN 530 5.817 11.722 24.359 451 HD22 ASN 530 1HD2 ASN 530 4.326 12.245 25.128 452 H ILE 531 H ILE 531 7.388 16.451 21.780 453 HA ILE 531 HA ILE 531 4.582 17.289 21.293 454 HB ILE 531 HB ILE 531 5.481 19.541 21.045 455 HG12 ILE 531 1HG1 ILE 531 8.220 18.337 21.600 456 HG13 ILE 531 2HG1 ILE 531 7.685 18.929 20.026 457 HG21 ILE 531 1HG2 ILE 531 6.037 19.900 23.363 458 HG22 ILE 531 2HG2 ILE 531 4.881 18.569 23.286 459 HG23 ILE 531 3HG2 ILE 531 6.605 18.227 23.554 460 HD11 ILE 531 3HD1 ILE 531 7.393 21.200 21.035 461 HD12 ILE 531 1HD1 ILE 531 8.127 20.561 22.535 462 HD13 ILE 531 2HD1 ILE 531 9.065 20.599 21.034 463 H LEU 532 H LEU 532 7.012 15.926 19.426 464 HA LEU 532 HA LEU 532 6.255 17.279 16.885 465 HB2 LEU 532 1HB LEU 532 8.310 15.084 17.342 466 HB3 LEU 532 2HB LEU 532 8.115 16.084 15.909 467 HG LEU 532 HG LEU 532 9.095 17.036 18.637 468 HD11 LEU 532 1HD1 LEU 532 11.248 17.296 17.547 469 HD12 LEU 532 2HD1 LEU 532 10.582 16.734 16.001 470 HD13 LEU 532 3HD1 LEU 532 10.703 15.621 17.379 471 HD21 LEU 532 3HD2 LEU 532 8.868 18.571 16.011 472 HD22 LEU 532 1HD2 LEU 532 9.644 19.155 17.502 473 HD23 LEU 532 2HD2 LEU 532 7.907 18.853 17.479 474 H THR 533 H THR 533 5.538 15.991 15.098 475 HA THR 533 HA THR 533 4.658 13.217 15.626 476 HB THR 533 HB THR 533 2.431 13.787 14.459 477 HG1 THR 533 HG1 THR 533 3.420 16.261 14.583 478 HG21 THR 533 3HG2 THR 533 1.298 14.196 16.517 479 HG22 THR 533 1HG2 THR 533 2.760 14.872 17.269 480 HG23 THR 533 2HG2 THR 533 2.664 13.140 16.867 481 HA PRO 534 HA PRO 534 6.017 12.544 11.495 482 HB2 PRO 534 1HB PRO 534 4.208 10.720 10.467 483 HB3 PRO 534 2HB PRO 534 5.481 10.317 11.656 484 HG2 PRO 534 1HG PRO 534 2.569 10.977 12.197 485 HG3 PRO 534 2HG PRO 534 3.527 9.596 12.826 486 HD2 PRO 534 1HD PRO 534 3.157 11.802 14.316 487 HD3 PRO 534 2HD PRO 534 4.751 11.005 14.296 488 H TYR 535 H TYR 535 5.397 12.768 9.207 489 HA TYR 535 HA TYR 535 3.114 14.654 8.771 490 HB2 TYR 535 1HB TYR 535 5.500 15.539 8.694 491 HB3 TYR 535 2HB TYR 535 5.669 14.708 7.171 492 HD1 TYR 535 HD1 TYR 535 3.175 15.209 5.695 493 HD2 TYR 535 HD2 TYR 535 5.287 17.809 8.422 494 HE1 TYR 535 HE1 TYR 535 2.056 17.170 4.686 495 HE2 TYR 535 HE2 TYR 535 4.157 19.777 7.399 496 HH TYR 535 HH TYR 535 1.796 19.434 4.734 497 HA PRO 536 HA PRO 536 2.304 10.847 6.250 498 HB2 PRO 536 1HB PRO 536 -0.269 10.375 6.988 499 HB3 PRO 536 2HB PRO 536 1.113 9.937 8.036 500 HG2 PRO 536 1HG PRO 536 -0.601 12.442 8.180 501 HG3 PRO 536 2HG PRO 536 -0.181 11.313 9.510 502 HD2 PRO 536 1HD PRO 536 1.212 13.613 9.063 503 HD3 PRO 536 2HD PRO 536 2.018 12.116 9.622 504 H ALA 537 H ALA 537 1.130 14.046 6.309 505 HA ALA 537 HA ALA 537 0.038 15.416 4.930 506 HB1 ALA 537 1HB ALA 537 0.851 13.484 2.732 507 HB2 ALA 537 2HB ALA 537 0.471 15.209 2.559 508 HB3 ALA 537 3HB ALA 537 1.909 14.709 3.467 509 H ALA 538 H ALA 538 -1.566 13.321 6.193 510 HA ALA 538 HA ALA 538 -4.076 13.799 4.738 511 HB1 ALA 538 1HB ALA 538 -3.278 11.640 3.817 512 HB2 ALA 538 2HB ALA 538 -3.111 10.990 5.464 513 HB3 ALA 538 3HB ALA 538 -4.718 11.407 4.826 514 H ALA 539 H ALA 539 -5.918 13.622 6.047 515 HA ALA 539 HA ALA 539 -5.750 13.002 8.912 516 HB1 ALA 539 1HB ALA 539 -4.885 15.326 8.788 517 HB2 ALA 539 2HB ALA 539 -6.353 15.829 7.920 518 HB3 ALA 539 3HB ALA 539 -6.448 15.273 9.607 519 H SER 540 H SER 540 -8.034 13.864 9.878 520 HA SER 540 HA SER 540 -10.291 13.151 8.067 521 HB2 SER 540 1HB SER 540 -9.401 11.093 9.285 522 HB3 SER 540 2HB SER 540 -9.882 11.878 10.800 523 HG SER 540 HG SER 540 -11.547 11.203 8.571 Start of MODEL 2 1 H1 GLY 473 H GLY 473 -1.962 0.910 1.235 2 HA2 GLY 473 1HA GLY 473 0.596 -0.293 0.485 3 HA3 GLY 473 2HA GLY 473 -0.798 -0.534 -0.576 4 HA PRO 474 HA PRO 474 0.076 4.203 -0.688 5 HB2 PRO 474 1HB PRO 474 2.488 5.147 0.160 6 HB3 PRO 474 2HB PRO 474 1.114 4.875 1.277 7 HG2 PRO 474 1HG PRO 474 3.452 3.019 0.722 8 HG3 PRO 474 2HG PRO 474 2.816 3.549 2.313 9 HD2 PRO 474 1HD PRO 474 2.106 1.170 1.172 10 HD3 PRO 474 2HD PRO 474 0.949 2.132 2.142 11 H LEU 475 H LEU 475 1.061 5.367 -2.404 12 HA LEU 475 HA LEU 475 2.638 3.734 -4.334 13 HB2 LEU 475 1HB LEU 475 1.106 6.363 -4.518 14 HB3 LEU 475 2HB LEU 475 2.214 5.821 -5.768 15 HG LEU 475 HG LEU 475 0.888 3.730 -6.061 16 HD11 LEU 475 1HD1 LEU 475 -1.120 5.128 -4.235 17 HD12 LEU 475 2HD1 LEU 475 -0.339 3.552 -3.951 18 HD13 LEU 475 3HD1 LEU 475 -1.483 3.733 -5.277 19 HD21 LEU 475 3HD2 LEU 475 0.617 5.697 -7.522 20 HD22 LEU 475 1HD2 LEU 475 -0.617 6.356 -6.425 21 HD23 LEU 475 2HD2 LEU 475 -0.919 4.844 -7.313 22 H GLY 476 H GLY 476 2.845 6.878 -2.664 23 HA2 GLY 476 1HA GLY 476 5.526 6.837 -1.958 24 HA3 GLY 476 2HA GLY 476 5.508 7.568 -3.567 25 H SER 477 H SER 477 6.102 8.649 -0.848 26 HA SER 477 HA SER 477 4.258 11.030 -0.853 27 HB2 SER 477 1HB SER 477 4.003 9.386 1.061 28 HB3 SER 477 2HB SER 477 5.651 9.802 1.552 29 HG SER 477 HG SER 477 3.287 11.307 1.574 30 H GLY 478 H GLY 478 7.601 9.891 -0.642 31 HA2 GLY 478 1HA GLY 478 8.841 12.048 -1.801 32 HA3 GLY 478 2HA GLY 478 8.801 12.481 -0.089 33 H ALA 479 H ALA 479 11.160 12.451 -0.610 34 HA ALA 479 HA ALA 479 12.373 9.816 0.128 35 HB1 ALA 479 1HB ALA 479 14.276 10.380 -1.321 36 HB2 ALA 479 2HB ALA 479 12.772 10.356 -2.259 37 HB3 ALA 479 3HB ALA 479 13.497 11.910 -1.784 38 H LEU 480 H LEU 480 11.436 12.106 1.761 39 HA LEU 480 HA LEU 480 13.941 12.925 3.175 40 HB2 LEU 480 1HB LEU 480 11.517 14.681 2.585 41 HB3 LEU 480 2HB LEU 480 12.965 15.161 3.463 42 HG LEU 480 HG LEU 480 12.939 14.400 0.508 43 HD11 LEU 480 1HD1 LEU 480 13.066 16.758 0.027 44 HD12 LEU 480 2HD1 LEU 480 13.060 17.173 1.750 45 HD13 LEU 480 3HD1 LEU 480 11.614 16.454 0.987 46 HD21 LEU 480 3HD2 LEU 480 15.146 15.507 0.473 47 HD22 LEU 480 1HD2 LEU 480 15.158 14.129 1.582 48 HD23 LEU 480 2HD2 LEU 480 15.050 15.781 2.228 49 H LYS 481 H LYS 481 13.423 13.791 5.387 50 HA LYS 481 HA LYS 481 11.116 12.372 6.689 51 HB2 LYS 481 1HB LYS 481 13.952 12.554 7.785 52 HB3 LYS 481 2HB LYS 481 12.529 11.965 8.636 53 HG2 LYS 481 1HG LYS 481 13.357 9.978 7.988 54 HG3 LYS 481 2HG LYS 481 12.320 10.284 6.595 55 HD2 LYS 481 1HD LYS 481 14.318 11.143 5.341 56 HD3 LYS 481 2HD LYS 481 15.332 10.832 6.747 57 HE2 LYS 481 1HE LYS 481 13.753 8.735 5.185 58 HE3 LYS 481 2HE LYS 481 15.471 9.082 4.969 59 HZ1 LYS 481 3HZ LYS 481 14.253 8.035 7.471 60 HZ2 LYS 481 1HZ LYS 481 15.839 8.396 7.285 61 HZ3 LYS 481 2HZ LYS 481 15.167 7.186 6.426 62 H TRP 482 H TRP 482 9.791 13.999 6.942 63 HA TRP 482 HA TRP 482 10.679 16.329 8.595 64 HB2 TRP 482 1HB TRP 482 8.453 16.223 6.535 65 HB3 TRP 482 2HB TRP 482 8.833 17.583 7.571 66 HD1 TRP 482 HD1 TRP 482 10.300 15.607 4.642 67 HE1 TRP 482 HE1 TRP 482 11.808 17.141 3.243 68 HE3 TRP 482 HE3 TRP 482 10.247 19.778 7.625 69 HZ2 TRP 482 HZ2 TRP 482 12.863 19.795 3.391 70 HZ3 TRP 482 HZ3 TRP 482 11.490 21.815 6.950 71 HH2 TRP 482 HH2 TRP 482 12.806 21.841 4.839 72 H VAL 483 H VAL 483 9.286 17.059 10.173 73 HA VAL 483 HA VAL 483 6.970 15.325 10.933 74 HB VAL 483 HB VAL 483 7.592 15.710 13.331 75 HG11 VAL 483 1HG1 VAL 483 9.153 13.838 13.420 76 HG12 VAL 483 2HG1 VAL 483 7.905 13.548 12.198 77 HG13 VAL 483 3HG1 VAL 483 9.537 14.038 11.696 78 HG21 VAL 483 3HG2 VAL 483 9.960 16.070 13.896 79 HG22 VAL 483 1HG2 VAL 483 10.333 16.443 12.211 80 HG23 VAL 483 2HG2 VAL 483 9.253 17.507 13.139 81 H LEU 484 H LEU 484 5.258 16.299 11.783 82 HA LEU 484 HA LEU 484 5.114 19.263 11.499 83 HB2 LEU 484 1HB LEU 484 3.595 17.673 10.155 84 HB3 LEU 484 2HB LEU 484 2.796 17.286 11.661 85 HG LEU 484 HG LEU 484 3.140 20.180 10.742 86 HD11 LEU 484 1HD1 LEU 484 0.925 20.082 9.702 87 HD12 LEU 484 2HD1 LEU 484 0.875 18.318 9.966 88 HD13 LEU 484 3HD1 LEU 484 2.099 19.050 8.893 89 HD21 LEU 484 3HD2 LEU 484 2.243 20.421 12.815 90 HD22 LEU 484 1HD2 LEU 484 1.531 18.792 12.851 91 HD23 LEU 484 2HD2 LEU 484 0.728 20.107 11.980 92 H CYS 485 H CYS 485 5.259 20.358 13.353 93 HA CYS 485 HA CYS 485 5.499 19.137 15.904 94 HB2 CYS 485 1HB CYS 485 6.469 21.347 15.089 95 HB3 CYS 485 2HB CYS 485 4.844 22.013 15.206 96 HG CYS 485 HG CYS 485 6.609 20.573 17.635 97 H ASN 486 H ASN 486 4.014 18.591 17.474 98 HA ASN 486 HA ASN 486 1.150 19.013 16.882 99 HB2 ASN 486 1HB ASN 486 2.337 16.790 17.661 100 HB3 ASN 486 2HB ASN 486 2.270 17.489 19.250 101 HD21 ASN 486 2HD2 ASN 486 0.976 15.269 19.261 102 HD22 ASN 486 1HD2 ASN 486 -0.754 15.443 19.001 103 H TYR 487 H TYR 487 3.603 20.177 19.149 104 HA TYR 487 HA TYR 487 1.707 22.157 20.281 105 HB2 TYR 487 1HB TYR 487 3.414 20.331 22.030 106 HB3 TYR 487 2HB TYR 487 2.358 21.618 22.579 107 HD1 TYR 487 HD2 TYR 487 -0.131 21.339 22.501 108 HD2 TYR 487 HD1 TYR 487 2.561 18.144 21.415 109 HE1 TYR 487 HE2 TYR 487 -1.999 19.691 22.680 110 HE2 TYR 487 HE1 TYR 487 0.708 16.512 21.578 111 HH TYR 487 HH TYR 487 -1.513 16.205 22.032 112 H ASP 488 H ASP 488 2.679 24.116 20.576 113 HA ASP 488 HA ASP 488 5.384 24.591 19.781 114 HB2 ASP 488 1HB ASP 488 5.019 26.854 20.423 115 HB3 ASP 488 2HB ASP 488 3.554 26.266 19.646 116 H PHE 489 H PHE 489 7.167 25.376 20.963 117 HA PHE 489 HA PHE 489 7.311 25.035 23.890 118 HB2 PHE 489 1HB PHE 489 7.653 22.765 23.101 119 HB3 PHE 489 2HB PHE 489 8.839 23.289 21.924 120 HD1 PHE 489 HD2 PHE 489 8.201 22.788 25.553 121 HD2 PHE 489 HD1 PHE 489 11.174 23.555 22.517 122 HE1 PHE 489 HE2 PHE 489 10.006 22.261 27.178 123 HE2 PHE 489 HE1 PHE 489 12.959 22.933 24.118 124 HZ PHE 489 HZ PHE 489 12.393 22.344 26.459 125 H GLN 490 H GLN 490 8.707 26.478 24.739 126 HA GLN 490 HA GLN 490 10.326 28.149 22.892 127 HB2 GLN 490 1HB GLN 490 8.647 29.219 24.343 128 HB3 GLN 490 2HB GLN 490 9.503 28.637 25.781 129 HG2 GLN 490 1HG GLN 490 11.503 29.933 25.131 130 HG3 GLN 490 2HG GLN 490 10.719 30.457 23.640 131 HE21 GLN 490 2HE2 GLN 490 11.808 32.154 25.813 132 HE22 GLN 490 1HE2 GLN 490 10.437 33.102 26.376 133 H ALA 491 H ALA 491 12.447 27.989 22.806 134 HA ALA 491 HA ALA 491 14.133 26.928 24.986 135 HB1 ALA 491 1HB ALA 491 13.123 25.265 22.830 136 HB2 ALA 491 2HB ALA 491 14.870 25.454 22.706 137 HB3 ALA 491 3HB ALA 491 14.170 24.862 24.212 138 H ARG 492 H ARG 492 15.878 28.273 25.001 139 HA ARG 492 HA ARG 492 17.306 28.955 22.496 140 HB2 ARG 492 1HB ARG 492 16.320 31.107 24.431 141 HB3 ARG 492 2HB ARG 492 17.544 31.360 23.183 142 HG2 ARG 492 1HG ARG 492 15.823 30.541 21.479 143 HG3 ARG 492 2HG ARG 492 14.609 30.755 22.751 144 HD2 ARG 492 1HD ARG 492 16.491 32.893 21.669 145 HD3 ARG 492 2HD ARG 492 14.795 32.683 21.207 146 HE ARG 492 HE ARG 492 14.878 32.970 24.031 147 HH11 ARG 492 1HH1 ARG 492 15.493 34.971 21.214 148 HH12 ARG 492 2HH1 ARG 492 15.083 36.444 22.058 149 HH21 ARG 492 1HH2 ARG 492 14.375 34.890 25.045 150 HH22 ARG 492 2HH2 ARG 492 14.466 36.392 24.163 151 H ASN 493 H ASN 493 17.752 27.205 24.822 152 HA ASN 493 HA ASN 493 19.970 28.299 26.357 153 HB2 ASN 493 1HB ASN 493 18.310 26.324 26.912 154 HB3 ASN 493 2HB ASN 493 19.417 25.342 25.955 155 HD21 ASN 493 2HD2 ASN 493 20.977 24.343 27.237 156 HD22 ASN 493 1HD2 ASN 493 21.590 25.024 28.736 157 H SER 494 H SER 494 22.121 26.831 26.295 158 HA SER 494 HA SER 494 23.611 27.597 24.100 159 HB2 SER 494 1HB SER 494 24.191 25.235 25.920 160 HB3 SER 494 2HB SER 494 25.372 26.170 24.983 161 HG SER 494 HG SER 494 25.253 26.854 27.168 162 H SER 495 H SER 495 21.631 24.722 24.187 163 HA SER 495 HA SER 495 22.488 24.010 21.431 164 HB2 SER 495 1HB SER 495 22.567 21.617 22.055 165 HB3 SER 495 2HB SER 495 23.787 22.580 22.892 166 HG SER 495 HG SER 495 22.730 21.162 24.322 167 H GLU 496 H GLU 496 19.953 25.180 22.880 168 HA GLU 496 HA GLU 496 17.929 23.205 21.854 169 HB2 GLU 496 1HB GLU 496 17.755 25.127 24.202 170 HB3 GLU 496 2HB GLU 496 16.410 24.194 23.543 171 HG2 GLU 496 1HG GLU 496 17.419 22.102 24.116 172 HG3 GLU 496 2HG GLU 496 18.908 22.906 24.636 173 H LEU 497 H LEU 497 16.063 24.040 20.859 174 HA LEU 497 HA LEU 497 16.071 26.881 19.981 175 HB2 LEU 497 1HB LEU 497 17.409 25.418 18.377 176 HB3 LEU 497 2HB LEU 497 15.940 24.492 18.108 177 HG LEU 497 HG LEU 497 15.102 27.144 17.683 178 HD11 LEU 497 1HD1 LEU 497 16.700 28.186 16.204 179 HD12 LEU 497 2HD1 LEU 497 17.842 26.842 16.394 180 HD13 LEU 497 3HD1 LEU 497 17.470 27.903 17.774 181 HD21 LEU 497 3HD2 LEU 497 16.104 25.120 15.668 182 HD22 LEU 497 1HD2 LEU 497 15.057 26.521 15.326 183 HD23 LEU 497 2HD2 LEU 497 14.467 25.206 16.354 184 H SER 498 H SER 498 14.039 27.712 19.739 185 HA SER 498 HA SER 498 11.765 26.320 20.741 186 HB2 SER 498 1HB SER 498 10.519 28.362 20.086 187 HB3 SER 498 2HB SER 498 11.993 28.720 20.997 188 HG SER 498 HG SER 498 11.734 30.074 19.157 189 H VAL 499 H VAL 499 9.733 25.928 19.754 190 HA VAL 499 HA VAL 499 9.594 25.663 16.805 191 HB VAL 499 HB VAL 499 8.709 23.414 16.875 192 HG11 VAL 499 1HG1 VAL 499 11.140 23.719 16.492 193 HG12 VAL 499 2HG1 VAL 499 11.439 23.486 18.219 194 HG13 VAL 499 3HG1 VAL 499 10.765 22.162 17.254 195 HG21 VAL 499 3HG2 VAL 499 7.836 23.303 19.194 196 HG22 VAL 499 1HG2 VAL 499 8.899 21.945 18.822 197 HG23 VAL 499 2HG2 VAL 499 9.511 23.290 19.804 198 H LYS 500 H LYS 500 7.426 25.177 16.026 199 HA LYS 500 HA LYS 500 5.180 26.138 17.755 200 HB2 LYS 500 1HB LYS 500 5.976 27.191 14.996 201 HB3 LYS 500 2HB LYS 500 4.484 27.615 15.824 202 HG2 LYS 500 1HG LYS 500 7.261 28.227 16.903 203 HG3 LYS 500 2HG LYS 500 6.296 29.333 15.919 204 HD2 LYS 500 1HD LYS 500 4.517 29.371 17.612 205 HD3 LYS 500 2HD LYS 500 5.429 28.229 18.622 206 HE2 LYS 500 1HE LYS 500 7.285 29.830 18.815 207 HE3 LYS 500 2HE LYS 500 6.437 30.972 17.761 208 HZ1 LYS 500 3HZ LYS 500 6.114 31.517 20.109 209 HZ2 LYS 500 1HZ LYS 500 5.446 30.058 20.416 210 HZ3 LYS 500 2HZ LYS 500 4.680 31.126 19.437 211 H GLN 501 H GLN 501 3.149 25.537 17.039 212 HA GLN 501 HA GLN 501 2.883 22.925 16.016 213 HB2 GLN 501 1HB GLN 501 1.351 24.253 17.560 214 HB3 GLN 501 2HB GLN 501 0.719 25.058 16.121 215 HG2 GLN 501 1HG GLN 501 0.041 22.737 15.265 216 HG3 GLN 501 2HG GLN 501 0.545 22.095 16.823 217 HE21 GLN 501 2HE2 GLN 501 -2.006 23.669 15.058 218 HE22 GLN 501 1HE2 GLN 501 -3.078 23.914 16.433 219 H ARG 502 H ARG 502 3.245 25.790 14.221 220 HA ARG 502 HA ARG 502 2.269 24.543 11.687 221 HB2 ARG 502 1HB ARG 502 1.726 26.794 10.896 222 HB3 ARG 502 2HB ARG 502 0.812 26.333 12.326 223 HG2 ARG 502 1HG ARG 502 2.256 27.707 13.769 224 HG3 ARG 502 2HG ARG 502 3.296 28.126 12.402 225 HD2 ARG 502 1HD ARG 502 0.326 28.779 12.563 226 HD3 ARG 502 2HD ARG 502 1.606 29.875 13.106 227 HE ARG 502 HE ARG 502 2.329 29.231 10.501 228 HH11 ARG 502 1HH1 ARG 502 -0.487 30.763 11.927 229 HH12 ARG 502 2HH1 ARG 502 -0.791 31.730 10.504 230 HH21 ARG 502 1HH2 ARG 502 1.893 30.494 8.733 231 HH22 ARG 502 2HH2 ARG 502 0.529 31.580 8.749 232 H ASP 503 H ASP 503 5.009 24.735 13.130 233 HA ASP 503 HA ASP 503 6.603 25.518 10.707 234 HB2 ASP 503 1HB ASP 503 7.309 25.445 13.654 235 HB3 ASP 503 2HB ASP 503 8.531 25.269 12.403 236 H VAL 504 H VAL 504 6.633 23.768 9.456 237 HA VAL 504 HA VAL 504 6.964 21.020 10.451 238 HB VAL 504 HB VAL 504 7.406 22.010 7.608 239 HG11 VAL 504 1HG1 VAL 504 6.468 19.317 8.707 240 HG12 VAL 504 2HG1 VAL 504 6.774 19.718 7.004 241 HG13 VAL 504 3HG1 VAL 504 8.110 19.674 8.150 242 HG21 VAL 504 3HG2 VAL 504 5.148 22.766 8.209 243 HG22 VAL 504 1HG2 VAL 504 5.045 21.368 7.141 244 HG23 VAL 504 2HG2 VAL 504 4.766 21.165 8.886 245 H LEU 505 H LEU 505 8.909 19.898 10.588 246 HA LEU 505 HA LEU 505 11.454 21.446 10.155 247 HB2 LEU 505 1HB LEU 505 10.621 19.793 12.570 248 HB3 LEU 505 2HB LEU 505 12.179 20.588 12.363 249 HG LEU 505 HG LEU 505 9.551 22.117 12.475 250 HD11 LEU 505 1HD1 LEU 505 9.960 22.595 14.753 251 HD12 LEU 505 2HD1 LEU 505 11.513 21.729 14.741 252 HD13 LEU 505 3HD1 LEU 505 9.981 20.839 14.575 253 HD21 LEU 505 3HD2 LEU 505 10.994 24.039 13.016 254 HD22 LEU 505 1HD2 LEU 505 11.407 23.369 11.432 255 HD23 LEU 505 2HD2 LEU 505 12.440 23.020 12.839 256 H GLU 506 H GLU 506 13.351 20.232 9.801 257 HA GLU 506 HA GLU 506 12.816 17.559 8.602 258 HB2 GLU 506 1HB GLU 506 13.797 19.377 7.191 259 HB3 GLU 506 2HB GLU 506 15.222 19.381 8.242 260 HG2 GLU 506 1HG GLU 506 15.500 16.910 7.703 261 HG3 GLU 506 2HG GLU 506 14.183 17.070 6.540 262 H VAL 507 H VAL 507 13.412 15.787 9.620 263 HA VAL 507 HA VAL 507 14.848 15.858 12.147 264 HB VAL 507 HB VAL 507 13.991 13.455 10.483 265 HG11 VAL 507 1HG1 VAL 507 14.700 13.744 13.443 266 HG12 VAL 507 2HG1 VAL 507 14.029 12.284 12.687 267 HG13 VAL 507 3HG1 VAL 507 15.632 12.852 12.221 268 HG21 VAL 507 3HG2 VAL 507 12.512 14.901 12.727 269 HG22 VAL 507 1HG2 VAL 507 12.020 14.840 11.019 270 HG23 VAL 507 2HG2 VAL 507 12.025 13.363 11.975 271 H LEU 508 H LEU 508 16.932 15.590 12.520 272 HA LEU 508 HA LEU 508 18.778 14.761 10.302 273 HB2 LEU 508 1HB LEU 508 19.446 16.349 12.796 274 HB3 LEU 508 2HB LEU 508 20.434 16.131 11.357 275 HG LEU 508 HG LEU 508 17.869 17.767 11.556 276 HD11 LEU 508 1HD1 LEU 508 19.830 18.704 12.728 277 HD12 LEU 508 2HD1 LEU 508 19.369 19.675 11.342 278 HD13 LEU 508 3HD1 LEU 508 20.774 18.601 11.225 279 HD21 LEU 508 3HD2 LEU 508 18.379 18.551 9.287 280 HD22 LEU 508 1HD2 LEU 508 18.131 16.814 9.279 281 HD23 LEU 508 2HD2 LEU 508 19.784 17.463 9.201 282 H ASP 509 H ASP 509 18.011 14.312 13.750 283 HA ASP 509 HA ASP 509 19.373 11.709 13.772 284 HB2 ASP 509 1HB ASP 509 21.096 13.490 14.394 285 HB3 ASP 509 2HB ASP 509 20.114 13.845 15.813 286 H ASP 510 H ASP 510 18.426 10.308 15.122 287 HA ASP 510 HA ASP 510 16.286 11.171 17.002 288 HB2 ASP 510 1HB ASP 510 14.799 9.564 16.091 289 HB3 ASP 510 2HB ASP 510 15.387 10.527 14.750 290 H SER 511 H SER 511 19.142 10.144 17.377 291 HA SER 511 HA SER 511 19.213 7.460 18.268 292 HB2 SER 511 1HB SER 511 21.173 8.890 17.792 293 HB3 SER 511 2HB SER 511 20.828 9.850 19.241 294 HG SER 511 HG SER 511 22.414 8.220 19.575 295 H ARG 512 H ARG 512 18.352 10.388 20.077 296 HA ARG 512 HA ARG 512 17.348 8.786 22.404 297 HB2 ARG 512 1HB ARG 512 18.872 11.441 22.373 298 HB3 ARG 512 2HB ARG 512 18.207 10.696 23.823 299 HG2 ARG 512 1HG ARG 512 20.356 9.391 22.084 300 HG3 ARG 512 2HG ARG 512 20.666 10.390 23.487 301 HD2 ARG 512 1HD ARG 512 19.421 8.841 24.934 302 HD3 ARG 512 2HD ARG 512 18.999 7.836 23.532 303 HE ARG 512 HE ARG 512 21.777 7.963 23.491 304 HH11 ARG 512 1HH1 ARG 512 19.421 6.776 25.811 305 HH12 ARG 512 2HH1 ARG 512 20.509 5.553 26.419 306 HH21 ARG 512 1HH2 ARG 512 23.098 6.376 24.309 307 HH22 ARG 512 2HH2 ARG 512 22.528 5.335 25.586 308 H LYS 513 H LYS 513 15.969 10.260 23.857 309 HA LYS 513 HA LYS 513 13.547 10.921 22.571 310 HB2 LYS 513 1HB LYS 513 14.600 12.081 25.188 311 HB3 LYS 513 2HB LYS 513 12.915 12.055 24.663 312 HG2 LYS 513 1HG LYS 513 12.949 9.554 24.721 313 HG3 LYS 513 2HG LYS 513 14.620 9.614 25.321 314 HD2 LYS 513 1HD LYS 513 13.819 11.038 27.247 315 HD3 LYS 513 2HD LYS 513 12.153 10.768 26.692 316 HE2 LYS 513 1HE LYS 513 12.460 8.323 26.963 317 HE3 LYS 513 2HE LYS 513 14.139 8.580 27.459 318 HZ1 LYS 513 3HZ LYS 513 13.303 9.838 29.381 319 HZ2 LYS 513 1HZ LYS 513 12.704 8.320 29.390 320 HZ3 LYS 513 2HZ LYS 513 11.754 9.567 28.935 321 H TRP 514 H TRP 514 16.256 13.057 23.306 322 HA TRP 514 HA TRP 514 14.963 15.456 22.220 323 HB2 TRP 514 1HB TRP 514 17.802 14.879 23.114 324 HB3 TRP 514 2HB TRP 514 17.232 16.424 22.515 325 HD1 TRP 514 HD1 TRP 514 16.901 14.115 25.545 326 HE1 TRP 514 HE1 TRP 514 15.905 15.412 27.525 327 HE3 TRP 514 HE3 TRP 514 15.826 18.520 23.168 328 HZ2 TRP 514 HZ2 TRP 514 14.743 18.013 28.002 329 HZ3 TRP 514 HZ3 TRP 514 14.781 20.402 24.409 330 HH2 TRP 514 HH2 TRP 514 14.228 20.157 26.820 331 H TRP 515 H TRP 515 14.359 14.930 20.132 332 HA TRP 515 HA TRP 515 16.206 13.862 18.130 333 HB2 TRP 515 1HB TRP 515 13.459 15.157 17.990 334 HB3 TRP 515 2HB TRP 515 14.392 14.752 16.557 335 HD1 TRP 515 HD1 TRP 515 14.509 12.300 19.427 336 HE1 TRP 515 HE1 TRP 515 13.364 10.115 18.785 337 HE3 TRP 515 HE3 TRP 515 12.348 13.824 15.045 338 HZ2 TRP 515 HZ2 TRP 515 11.687 9.146 16.641 339 HZ3 TRP 515 HZ3 TRP 515 10.983 12.226 13.714 340 HH2 TRP 515 HH2 TRP 515 10.665 9.891 14.486 341 H LYS 516 H LYS 516 17.316 14.955 16.587 342 HA LYS 516 HA LYS 516 17.704 17.903 16.999 343 HB2 LYS 516 1HB LYS 516 19.695 16.236 17.056 344 HB3 LYS 516 2HB LYS 516 19.485 16.129 15.304 345 HG2 LYS 516 1HG LYS 516 19.737 18.626 15.160 346 HG3 LYS 516 2HG LYS 516 19.897 18.696 16.915 347 HD2 LYS 516 1HD LYS 516 22.076 18.886 15.986 348 HD3 LYS 516 2HD LYS 516 21.969 17.303 16.763 349 HE2 LYS 516 1HE LYS 516 21.629 16.223 14.563 350 HE3 LYS 516 2HE LYS 516 21.609 17.812 13.775 351 HZ1 LYS 516 3HZ LYS 516 23.949 16.702 15.232 352 HZ2 LYS 516 1HZ LYS 516 23.893 18.145 14.452 353 HZ3 LYS 516 2HZ LYS 516 23.794 16.754 13.605 354 H VAL 517 H VAL 517 17.039 19.290 15.516 355 HA VAL 517 HA VAL 517 16.097 18.341 12.837 356 HB VAL 517 HB VAL 517 14.066 19.582 13.033 357 HG11 VAL 517 1HG1 VAL 517 12.815 18.124 14.485 358 HG12 VAL 517 2HG1 VAL 517 14.099 17.183 13.720 359 HG13 VAL 517 3HG1 VAL 517 14.266 17.698 15.412 360 HG21 VAL 517 3HG2 VAL 517 14.868 20.162 15.916 361 HG22 VAL 517 1HG2 VAL 517 14.572 21.344 14.621 362 HG23 VAL 517 2HG2 VAL 517 13.240 20.376 15.265 363 H ARG 518 H ARG 518 16.036 19.879 11.212 364 HA ARG 518 HA ARG 518 17.632 22.373 11.687 365 HB2 ARG 518 1HB ARG 518 18.248 20.682 9.831 366 HB3 ARG 518 2HB ARG 518 16.808 21.228 8.985 367 HG2 ARG 518 1HG ARG 518 17.770 23.604 9.185 368 HG3 ARG 518 2HG ARG 518 19.250 22.866 9.814 369 HD2 ARG 518 1HD ARG 518 17.990 22.354 7.095 370 HD3 ARG 518 2HD ARG 518 19.415 23.359 7.408 371 HE ARG 518 HE ARG 518 20.170 20.944 8.466 372 HH11 ARG 518 1HH1 ARG 518 19.054 21.855 5.266 373 HH12 ARG 518 2HH1 ARG 518 19.855 20.504 4.506 374 HH21 ARG 518 1HH2 ARG 518 21.146 19.233 7.429 375 HH22 ARG 518 2HH2 ARG 518 21.003 19.069 5.701 376 H ASP 519 H ASP 519 16.500 24.111 12.003 377 HA ASP 519 HA ASP 519 13.696 24.506 11.273 378 HB2 ASP 519 1HB ASP 519 14.130 26.793 12.228 379 HB3 ASP 519 2HB ASP 519 14.508 25.460 13.307 380 HA PRO 520 HA PRO 520 14.273 26.376 7.316 381 HB2 PRO 520 1HB PRO 520 12.302 28.287 7.164 382 HB3 PRO 520 2HB PRO 520 12.004 26.524 7.170 383 HG2 PRO 520 1HG PRO 520 11.898 28.422 9.534 384 HG3 PRO 520 2HG PRO 520 10.658 27.229 9.018 385 HD2 PRO 520 1HD PRO 520 12.432 26.629 10.951 386 HD3 PRO 520 2HD PRO 520 11.992 25.403 9.732 387 H ALA 521 H ALA 521 14.975 28.335 10.074 388 HA ALA 521 HA ALA 521 15.816 30.717 8.576 389 HB1 ALA 521 1HB ALA 521 16.521 29.944 11.438 390 HB2 ALA 521 2HB ALA 521 16.616 31.537 10.690 391 HB3 ALA 521 3HB ALA 521 15.026 30.800 10.972 392 H GLY 522 H GLY 522 17.194 27.629 9.390 393 HA2 GLY 522 1HA GLY 522 19.038 26.805 8.084 394 HA3 GLY 522 2HA GLY 522 19.775 28.407 8.094 395 H GLN 523 H GLN 523 18.491 27.406 11.167 396 HA GLN 523 HA GLN 523 21.252 26.887 12.185 397 HB2 GLN 523 1HB GLN 523 18.823 27.543 13.872 398 HB3 GLN 523 2HB GLN 523 20.515 27.590 14.313 399 HG2 GLN 523 1HG GLN 523 20.640 29.433 12.386 400 HG3 GLN 523 2HG GLN 523 18.908 29.533 12.639 401 HE21 GLN 523 2HE2 GLN 523 21.258 31.441 13.255 402 HE22 GLN 523 1HE2 GLN 523 20.995 31.858 14.943 403 H GLU 524 H GLU 524 20.794 25.478 14.443 404 HA GLU 524 HA GLU 524 19.045 23.155 13.923 405 HB2 GLU 524 1HB GLU 524 22.041 22.930 14.394 406 HB3 GLU 524 2HB GLU 524 20.907 21.610 14.685 407 HG2 GLU 524 1HG GLU 524 20.268 21.614 12.307 408 HG3 GLU 524 2HG GLU 524 21.390 22.945 12.000 409 H GLY 525 H GLY 525 18.482 22.026 15.835 410 HA2 GLY 525 1HA GLY 525 19.789 22.505 18.364 411 HA3 GLY 525 2HA GLY 525 18.241 23.348 18.289 412 H TYR 526 H TYR 526 18.626 21.520 20.199 413 HA TYR 526 HA TYR 526 17.307 18.982 19.398 414 HB2 TYR 526 1HB TYR 526 18.659 19.956 21.938 415 HB3 TYR 526 2HB TYR 526 17.812 18.431 21.819 416 HD1 TYR 526 HD1 TYR 526 18.542 16.730 20.028 417 HD2 TYR 526 HD2 TYR 526 20.964 20.068 21.274 418 HE1 TYR 526 HE1 TYR 526 20.574 15.552 19.215 419 HE2 TYR 526 HE2 TYR 526 23.001 18.911 20.419 420 HH TYR 526 HH TYR 526 22.844 15.641 18.973 421 H VAL 527 H VAL 527 15.322 18.358 20.038 422 HA VAL 527 HA VAL 527 13.779 19.788 22.106 423 HB VAL 527 HB VAL 527 11.731 19.718 20.549 424 HG11 VAL 527 1HG1 VAL 527 13.808 21.827 19.919 425 HG12 VAL 527 2HG1 VAL 527 12.041 21.962 19.818 426 HG13 VAL 527 3HG1 VAL 527 12.820 21.786 21.394 427 HG21 VAL 527 3HG2 VAL 527 12.049 20.020 18.178 428 HG22 VAL 527 1HG2 VAL 527 13.812 19.909 18.336 429 HG23 VAL 527 2HG2 VAL 527 12.800 18.486 18.650 430 HA PRO 528 HA PRO 528 12.512 15.642 22.932 431 HB2 PRO 528 1HB PRO 528 10.051 15.938 24.139 432 HB3 PRO 528 2HB PRO 528 11.610 16.347 24.913 433 HG2 PRO 528 1HG PRO 528 9.663 18.226 23.551 434 HG3 PRO 528 2HG PRO 528 10.516 18.439 25.107 435 HD2 PRO 528 1HD PRO 528 11.397 19.569 22.784 436 HD3 PRO 528 2HD PRO 528 12.523 18.992 24.041 437 H TYR 529 H TYR 529 11.652 14.005 21.725 438 HA TYR 529 HA TYR 529 10.137 14.430 19.392 439 HB2 TYR 529 1HB TYR 529 10.205 12.150 19.081 440 HB3 TYR 529 2HB TYR 529 11.622 12.448 20.061 441 HD1 TYR 529 HD1 TYR 529 11.321 12.093 22.689 442 HD2 TYR 529 HD2 TYR 529 8.652 10.501 19.695 443 HE1 TYR 529 HE1 TYR 529 10.518 10.396 24.313 444 HE2 TYR 529 HE2 TYR 529 7.859 8.789 21.322 445 HH TYR 529 HH TYR 529 9.119 8.631 24.667 446 H ASN 530 H ASN 530 8.939 14.011 22.657 447 HA ASN 530 HA ASN 530 6.390 12.950 22.184 448 HB2 ASN 530 1HB ASN 530 7.548 13.170 24.381 449 HB3 ASN 530 2HB ASN 530 7.267 14.914 24.351 450 HD21 ASN 530 2HD2 ASN 530 5.385 15.600 25.371 451 HD22 ASN 530 1HD2 ASN 530 4.027 14.541 25.718 452 H ILE 531 H ILE 531 7.429 16.277 21.676 453 HA ILE 531 HA ILE 531 4.632 17.203 21.252 454 HB ILE 531 HB ILE 531 5.544 19.450 21.150 455 HG12 ILE 531 1HG1 ILE 531 8.256 18.212 21.730 456 HG13 ILE 531 2HG1 ILE 531 7.777 18.874 20.166 457 HG21 ILE 531 1HG2 ILE 531 4.865 18.374 23.307 458 HG22 ILE 531 2HG2 ILE 531 6.573 17.991 23.616 459 HG23 ILE 531 3HG2 ILE 531 6.036 19.680 23.499 460 HD11 ILE 531 3HD1 ILE 531 7.478 21.103 21.246 461 HD12 ILE 531 1HD1 ILE 531 8.119 20.411 22.761 462 HD13 ILE 531 2HD1 ILE 531 9.140 20.484 21.317 463 H LEU 532 H LEU 532 6.564 15.515 19.374 464 HA LEU 532 HA LEU 532 6.003 17.056 16.866 465 HB2 LEU 532 1HB LEU 532 8.162 14.972 17.373 466 HB3 LEU 532 2HB LEU 532 7.912 15.883 15.891 467 HG LEU 532 HG LEU 532 8.772 17.066 18.573 468 HD11 LEU 532 1HD1 LEU 532 10.504 15.662 17.466 469 HD12 LEU 532 2HD1 LEU 532 10.941 17.372 17.564 470 HD13 LEU 532 3HD1 LEU 532 10.383 16.692 16.025 471 HD21 LEU 532 3HD2 LEU 532 8.489 18.368 15.825 472 HD22 LEU 532 1HD2 LEU 532 9.271 19.113 17.237 473 HD23 LEU 532 2HD2 LEU 532 7.545 18.746 17.287 474 H THR 533 H THR 533 5.108 15.934 15.147 475 HA THR 533 HA THR 533 4.199 13.128 15.588 476 HB THR 533 HB THR 533 2.028 13.974 14.322 477 HG1 THR 533 HG1 THR 533 3.017 16.285 14.620 478 HG21 THR 533 3HG2 THR 533 2.467 14.385 17.308 479 HG22 THR 533 1HG2 THR 533 2.021 12.863 16.505 480 HG23 THR 533 2HG2 THR 533 0.893 14.228 16.494 481 HA PRO 534 HA PRO 534 5.534 12.495 11.448 482 HB2 PRO 534 1HB PRO 534 3.750 10.670 10.424 483 HB3 PRO 534 2HB PRO 534 4.978 10.265 11.661 484 HG2 PRO 534 1HG PRO 534 2.060 10.968 12.101 485 HG3 PRO 534 2HG PRO 534 2.977 9.579 12.770 486 HD2 PRO 534 1HD PRO 534 2.588 11.834 14.210 487 HD3 PRO 534 2HD PRO 534 4.149 10.969 14.287 488 H TYR 535 H TYR 535 4.942 12.837 9.182 489 HA TYR 535 HA TYR 535 2.560 14.594 8.800 490 HB2 TYR 535 1HB TYR 535 4.635 15.897 8.931 491 HB3 TYR 535 2HB TYR 535 5.296 14.984 7.584 492 HD1 TYR 535 HD1 TYR 535 1.873 16.525 8.183 493 HD2 TYR 535 HD2 TYR 535 5.441 16.455 5.745 494 HE1 TYR 535 HE1 TYR 535 0.822 18.116 6.617 495 HE2 TYR 535 HE2 TYR 535 4.376 18.065 4.167 496 HH TYR 535 HH TYR 535 1.053 19.296 4.674 497 HA PRO 536 HA PRO 536 2.310 10.960 5.917 498 HB2 PRO 536 1HB PRO 536 -0.295 10.281 6.411 499 HB3 PRO 536 2HB PRO 536 1.069 9.734 7.431 500 HG2 PRO 536 1HG PRO 536 -0.809 12.063 7.926 501 HG3 PRO 536 2HG PRO 536 -0.294 10.787 9.074 502 HD2 PRO 536 1HD PRO 536 0.896 13.256 8.992 503 HD3 PRO 536 2HD PRO 536 1.812 11.769 9.370 504 H ALA 537 H ALA 537 1.758 11.266 3.826 505 HA ALA 537 HA ALA 537 -0.406 13.079 2.981 506 HB1 ALA 537 1HB ALA 537 1.496 14.616 3.382 507 HB2 ALA 537 2HB ALA 537 2.534 13.625 2.334 508 HB3 ALA 537 3HB ALA 537 1.143 14.493 1.649 509 H ALA 538 H ALA 538 -1.097 12.739 0.908 510 HA ALA 538 HA ALA 538 -0.318 10.168 -0.314 511 HB1 ALA 538 1HB ALA 538 -2.687 12.038 -0.761 512 HB2 ALA 538 2HB ALA 538 -2.507 10.407 -1.439 513 HB3 ALA 538 3HB ALA 538 -2.655 10.622 0.313 514 H ALA 539 H ALA 539 0.510 13.399 -0.918 515 HA ALA 539 HA ALA 539 1.623 12.691 -3.550 516 HB1 ALA 539 1HB ALA 539 0.722 14.745 -4.607 517 HB2 ALA 539 2HB ALA 539 -0.581 13.643 -4.121 518 HB3 ALA 539 3HB ALA 539 -0.229 15.087 -3.144 519 H SER 540 H SER 540 3.502 13.748 -4.009 520 HA SER 540 HA SER 540 4.971 15.016 -1.860 521 HB2 SER 540 1HB SER 540 6.765 15.192 -3.644 522 HB3 SER 540 2HB SER 540 6.215 13.564 -3.220 523 HG SER 540 HG SER 540 6.277 13.808 -5.495 Start of MODEL 3 1 H1 GLY 473 H GLY 473 0.989 16.332 -1.005 2 HA2 GLY 473 1HA GLY 473 0.443 18.765 0.572 3 HA3 GLY 473 2HA GLY 473 1.655 17.579 1.072 4 HA PRO 474 HA PRO 474 3.337 19.370 -3.057 5 HB2 PRO 474 1HB PRO 474 2.303 21.667 -4.107 6 HB3 PRO 474 2HB PRO 474 1.596 20.052 -4.415 7 HG2 PRO 474 1HG PRO 474 0.727 22.090 -2.339 8 HG3 PRO 474 2HG PRO 474 -0.294 21.226 -3.536 9 HD2 PRO 474 1HD PRO 474 -0.045 20.354 -0.970 10 HD3 PRO 474 2HD PRO 474 -0.153 19.205 -2.340 11 H LEU 475 H LEU 475 2.480 21.373 -0.334 12 HA LEU 475 HA LEU 475 4.427 23.457 -0.584 13 HB2 LEU 475 1HB LEU 475 3.093 22.187 1.846 14 HB3 LEU 475 2HB LEU 475 4.073 23.645 1.919 15 HG LEU 475 HG LEU 475 1.483 23.394 0.327 16 HD11 LEU 475 1HD1 LEU 475 2.079 24.766 2.983 17 HD12 LEU 475 2HD1 LEU 475 1.123 23.284 2.762 18 HD13 LEU 475 3HD1 LEU 475 0.535 24.818 2.101 19 HD21 LEU 475 3HD2 LEU 475 3.226 25.815 0.974 20 HD22 LEU 475 1HD2 LEU 475 1.618 25.872 0.216 21 HD23 LEU 475 2HD2 LEU 475 2.960 25.108 -0.639 22 H GLY 476 H GLY 476 4.807 20.121 0.490 23 HA2 GLY 476 1HA GLY 476 7.407 20.650 1.813 24 HA3 GLY 476 2HA GLY 476 6.546 19.114 1.717 25 H SER 477 H SER 477 6.296 18.350 -0.692 26 HA SER 477 HA SER 477 7.400 17.187 -2.308 27 HB2 SER 477 1HB SER 477 6.609 19.453 -3.178 28 HB3 SER 477 2HB SER 477 8.314 19.927 -3.213 29 HG SER 477 HG SER 477 7.613 19.045 -5.205 30 H GLY 478 H GLY 478 9.002 16.872 -0.148 31 HA2 GLY 478 1HA GLY 478 11.833 17.154 -1.162 32 HA3 GLY 478 2HA GLY 478 11.347 17.429 0.500 33 H ALA 479 H ALA 479 9.640 15.060 0.764 34 HA ALA 479 HA ALA 479 9.819 12.977 1.588 35 HB1 ALA 479 1HB ALA 479 10.546 11.277 0.018 36 HB2 ALA 479 2HB ALA 479 9.675 12.568 -0.831 37 HB3 ALA 479 3HB ALA 479 11.447 12.482 -0.924 38 H LEU 480 H LEU 480 11.554 14.613 2.887 39 HA LEU 480 HA LEU 480 14.032 13.038 3.452 40 HB2 LEU 480 1HB LEU 480 13.268 15.895 4.155 41 HB3 LEU 480 2HB LEU 480 14.794 15.147 4.564 42 HG LEU 480 HG LEU 480 13.867 15.585 1.709 43 HD11 LEU 480 1HD1 LEU 480 15.825 17.179 3.399 44 HD12 LEU 480 2HD1 LEU 480 14.218 17.716 2.867 45 HD13 LEU 480 3HD1 LEU 480 15.485 17.423 1.669 46 HD21 LEU 480 3HD2 LEU 480 16.582 14.812 2.867 47 HD22 LEU 480 1HD2 LEU 480 16.242 15.164 1.157 48 HD23 LEU 480 2HD2 LEU 480 15.514 13.749 1.923 49 H LYS 481 H LYS 481 11.290 12.343 4.495 50 HA LYS 481 HA LYS 481 10.116 11.878 6.415 51 HB2 LYS 481 1HB LYS 481 12.894 11.395 7.541 52 HB3 LYS 481 2HB LYS 481 11.373 10.866 8.267 53 HG2 LYS 481 1HG LYS 481 10.894 9.464 6.273 54 HG3 LYS 481 2HG LYS 481 12.463 9.939 5.582 55 HD2 LYS 481 1HD LYS 481 13.627 8.969 7.559 56 HD3 LYS 481 2HD LYS 481 12.069 8.562 8.279 57 HE2 LYS 481 1HE LYS 481 12.961 6.558 7.354 58 HE3 LYS 481 2HE LYS 481 11.575 7.039 6.370 59 HZ1 LYS 481 3HZ LYS 481 13.476 6.356 5.012 60 HZ2 LYS 481 1HZ LYS 481 14.431 7.507 5.662 61 HZ3 LYS 481 2HZ LYS 481 13.153 7.929 4.725 62 H TRP 482 H TRP 482 10.051 14.451 6.069 63 HA TRP 482 HA TRP 482 10.811 16.148 8.251 64 HB2 TRP 482 1HB TRP 482 8.416 16.284 6.381 65 HB3 TRP 482 2HB TRP 482 8.913 17.563 7.470 66 HD1 TRP 482 HD1 TRP 482 10.130 15.747 4.320 67 HE1 TRP 482 HE1 TRP 482 11.589 17.357 2.929 68 HE3 TRP 482 HE3 TRP 482 10.392 19.671 7.589 69 HZ2 TRP 482 HZ2 TRP 482 12.817 19.929 3.258 70 HZ3 TRP 482 HZ3 TRP 482 11.671 21.716 7.014 71 HH2 TRP 482 HH2 TRP 482 12.903 21.854 4.858 72 H VAL 483 H VAL 483 9.479 17.027 9.905 73 HA VAL 483 HA VAL 483 7.198 15.352 10.877 74 HB VAL 483 HB VAL 483 7.910 15.946 13.216 75 HG11 VAL 483 1HG1 VAL 483 9.572 14.140 13.379 76 HG12 VAL 483 2HG1 VAL 483 8.203 13.704 12.350 77 HG13 VAL 483 3HG1 VAL 483 9.750 14.144 11.608 78 HG21 VAL 483 3HG2 VAL 483 9.509 17.753 12.775 79 HG22 VAL 483 1HG2 VAL 483 10.264 16.431 13.673 80 HG23 VAL 483 2HG2 VAL 483 10.596 16.618 11.946 81 H LEU 484 H LEU 484 5.552 16.393 11.844 82 HA LEU 484 HA LEU 484 5.456 19.362 11.533 83 HB2 LEU 484 1HB LEU 484 3.807 17.881 10.199 84 HB3 LEU 484 2HB LEU 484 3.101 17.442 11.742 85 HG LEU 484 HG LEU 484 2.530 19.816 12.190 86 HD11 LEU 484 1HD1 LEU 484 3.800 20.312 9.469 87 HD12 LEU 484 2HD1 LEU 484 4.237 21.071 11.019 88 HD13 LEU 484 3HD1 LEU 484 2.697 21.457 10.260 89 HD21 LEU 484 3HD2 LEU 484 1.646 18.852 9.436 90 HD22 LEU 484 1HD2 LEU 484 0.802 20.046 10.448 91 HD23 LEU 484 2HD2 LEU 484 0.934 18.365 10.991 92 H CYS 485 H CYS 485 5.444 20.501 13.398 93 HA CYS 485 HA CYS 485 5.608 19.182 15.943 94 HB2 CYS 485 1HB CYS 485 6.551 21.488 15.125 95 HB3 CYS 485 2HB CYS 485 4.935 22.092 15.534 96 HG CYS 485 HG CYS 485 6.596 22.601 17.517 97 H ASN 486 H ASN 486 4.051 18.652 17.411 98 HA ASN 486 HA ASN 486 1.216 19.094 16.725 99 HB2 ASN 486 1HB ASN 486 2.402 16.874 17.520 100 HB3 ASN 486 2HB ASN 486 2.278 17.547 19.112 101 HD21 ASN 486 2HD2 ASN 486 1.043 15.260 18.931 102 HD22 ASN 486 1HD2 ASN 486 -0.688 15.422 18.676 103 H TYR 487 H TYR 487 3.579 20.279 19.046 104 HA TYR 487 HA TYR 487 1.633 22.167 20.252 105 HB2 TYR 487 1HB TYR 487 3.400 20.312 21.902 106 HB3 TYR 487 2HB TYR 487 2.321 21.548 22.519 107 HD1 TYR 487 HD2 TYR 487 -0.193 21.249 22.310 108 HD2 TYR 487 HD1 TYR 487 2.611 18.113 21.336 109 HE1 TYR 487 HE2 TYR 487 -2.032 19.563 22.402 110 HE2 TYR 487 HE1 TYR 487 0.781 16.442 21.409 111 HH TYR 487 HH TYR 487 -1.456 16.094 21.757 112 H ASP 488 H ASP 488 2.585 24.145 20.641 113 HA ASP 488 HA ASP 488 5.253 24.694 19.773 114 HB2 ASP 488 1HB ASP 488 4.884 26.917 20.472 115 HB3 ASP 488 2HB ASP 488 3.360 26.334 19.821 116 H PHE 489 H PHE 489 7.094 25.400 20.914 117 HA PHE 489 HA PHE 489 7.344 24.953 23.816 118 HB2 PHE 489 1HB PHE 489 7.576 22.706 22.946 119 HB3 PHE 489 2HB PHE 489 8.743 23.222 21.746 120 HD1 PHE 489 HD1 PHE 489 8.203 22.565 25.362 121 HD2 PHE 489 HD2 PHE 489 11.097 23.458 22.290 122 HE1 PHE 489 HE1 PHE 489 10.042 21.885 26.890 123 HE2 PHE 489 HE2 PHE 489 12.924 22.709 23.801 124 HZ PHE 489 HZ PHE 489 12.406 21.962 26.106 125 H GLN 490 H GLN 490 8.695 26.435 24.616 126 HA GLN 490 HA GLN 490 10.399 28.025 22.785 127 HB2 GLN 490 1HB GLN 490 8.778 29.141 24.319 128 HB3 GLN 490 2HB GLN 490 9.686 28.512 25.703 129 HG2 GLN 490 1HG GLN 490 11.705 29.755 24.932 130 HG3 GLN 490 2HG GLN 490 10.818 30.326 23.515 131 HE21 GLN 490 2HE2 GLN 490 9.603 32.245 23.739 132 HE22 GLN 490 1HE2 GLN 490 9.345 33.029 25.292 133 H ALA 491 H ALA 491 12.527 27.766 22.699 134 HA ALA 491 HA ALA 491 14.127 26.627 24.903 135 HB1 ALA 491 1HB ALA 491 14.329 24.598 24.061 136 HB2 ALA 491 2HB ALA 491 13.079 24.961 22.847 137 HB3 ALA 491 3HB ALA 491 14.780 25.229 22.475 138 H ARG 492 H ARG 492 15.847 27.938 25.009 139 HA ARG 492 HA ARG 492 17.201 29.016 22.575 140 HB2 ARG 492 1HB ARG 492 15.920 30.692 24.779 141 HB3 ARG 492 2HB ARG 492 17.183 31.327 23.716 142 HG2 ARG 492 1HG ARG 492 15.828 30.900 21.729 143 HG3 ARG 492 2HG ARG 492 14.532 30.213 22.721 144 HD2 ARG 492 1HD ARG 492 14.210 32.324 23.883 145 HD3 ARG 492 2HD ARG 492 15.497 33.081 22.918 146 HE ARG 492 HE ARG 492 13.803 32.062 21.001 147 HH11 ARG 492 1HH1 ARG 492 13.249 34.290 23.657 148 HH12 ARG 492 2HH1 ARG 492 11.917 35.067 22.839 149 HH21 ARG 492 1HH2 ARG 492 12.111 33.111 20.017 150 HH22 ARG 492 2HH2 ARG 492 11.293 34.410 20.841 151 H ASN 493 H ASN 493 17.749 27.042 24.694 152 HA ASN 493 HA ASN 493 19.847 28.042 26.434 153 HB2 ASN 493 1HB ASN 493 19.190 25.163 25.660 154 HB3 ASN 493 2HB ASN 493 20.084 25.694 27.066 155 HD21 ASN 493 2HD2 ASN 493 18.933 25.834 28.966 156 HD22 ASN 493 1HD2 ASN 493 17.181 25.958 29.033 157 H SER 494 H SER 494 21.993 26.590 26.376 158 HA SER 494 HA SER 494 23.657 27.513 24.341 159 HB2 SER 494 1HB SER 494 24.304 26.630 26.591 160 HB3 SER 494 2HB SER 494 24.068 24.984 25.977 161 HG SER 494 HG SER 494 26.252 25.703 25.855 162 H SER 495 H SER 495 21.751 24.537 24.285 163 HA SER 495 HA SER 495 22.284 24.244 21.395 164 HB2 SER 495 1HB SER 495 22.676 21.796 21.601 165 HB3 SER 495 2HB SER 495 23.959 22.781 22.274 166 HG SER 495 HG SER 495 21.920 21.400 23.681 167 H GLU 496 H GLU 496 19.964 25.294 22.450 168 HA GLU 496 HA GLU 496 17.998 23.213 21.601 169 HB2 GLU 496 1HB GLU 496 17.613 24.989 24.032 170 HB3 GLU 496 2HB GLU 496 16.399 23.960 23.277 171 HG2 GLU 496 1HG GLU 496 17.698 21.947 23.755 172 HG3 GLU 496 2HG GLU 496 18.957 22.926 24.518 173 H LEU 497 H LEU 497 16.083 24.040 20.655 174 HA LEU 497 HA LEU 497 16.064 26.901 19.828 175 HB2 LEU 497 1HB LEU 497 17.351 25.444 18.147 176 HB3 LEU 497 2HB LEU 497 15.876 24.528 17.928 177 HG LEU 497 HG LEU 497 14.997 27.171 17.545 178 HD11 LEU 497 1HD1 LEU 497 17.719 26.911 16.229 179 HD12 LEU 497 2HD1 LEU 497 17.328 27.985 17.592 180 HD13 LEU 497 3HD1 LEU 497 16.550 28.229 16.018 181 HD21 LEU 497 3HD2 LEU 497 14.920 26.576 15.171 182 HD22 LEU 497 1HD2 LEU 497 14.342 25.259 16.202 183 HD23 LEU 497 2HD2 LEU 497 15.967 25.170 15.494 184 H SER 498 H SER 498 14.032 27.731 19.632 185 HA SER 498 HA SER 498 11.767 26.282 20.614 186 HB2 SER 498 1HB SER 498 10.524 28.335 20.216 187 HB3 SER 498 2HB SER 498 12.095 28.710 20.939 188 HG SER 498 HG SER 498 11.736 30.109 19.237 189 H VAL 499 H VAL 499 9.686 26.088 19.597 190 HA VAL 499 HA VAL 499 9.548 25.783 16.657 191 HB VAL 499 HB VAL 499 8.610 23.542 16.811 192 HG11 VAL 499 1HG1 VAL 499 11.432 23.572 17.962 193 HG12 VAL 499 2HG1 VAL 499 10.676 22.278 17.022 194 HG13 VAL 499 3HG1 VAL 499 11.029 23.841 16.255 195 HG21 VAL 499 3HG2 VAL 499 9.652 23.453 19.672 196 HG22 VAL 499 1HG2 VAL 499 7.936 23.463 19.207 197 HG23 VAL 499 2HG2 VAL 499 8.964 22.095 18.765 198 H LYS 500 H LYS 500 7.359 25.304 15.898 199 HA LYS 500 HA LYS 500 5.182 26.316 17.686 200 HB2 LYS 500 1HB LYS 500 5.439 27.271 14.816 201 HB3 LYS 500 2HB LYS 500 4.511 27.935 16.141 202 HG2 LYS 500 1HG LYS 500 6.142 29.504 16.098 203 HG3 LYS 500 2HG LYS 500 6.956 28.361 17.178 204 HD2 LYS 500 1HD LYS 500 8.249 27.465 15.244 205 HD3 LYS 500 2HD LYS 500 7.325 28.488 14.150 206 HE2 LYS 500 1HE LYS 500 9.534 29.409 14.530 207 HE3 LYS 500 2HE LYS 500 8.268 30.507 15.095 208 HZ1 LYS 500 3HZ LYS 500 10.097 30.365 16.663 209 HZ2 LYS 500 1HZ LYS 500 9.931 28.754 16.836 210 HZ3 LYS 500 2HZ LYS 500 8.750 29.778 17.371 211 H GLN 501 H GLN 501 3.087 25.681 17.067 212 HA GLN 501 HA GLN 501 2.830 23.031 16.114 213 HB2 GLN 501 1HB GLN 501 1.446 24.205 17.795 214 HB3 GLN 501 2HB GLN 501 0.694 25.163 16.512 215 HG2 GLN 501 1HG GLN 501 -0.302 23.144 15.546 216 HG3 GLN 501 2HG GLN 501 0.560 22.116 16.688 217 HE21 GLN 501 2HE2 GLN 501 -2.375 22.363 16.207 218 HE22 GLN 501 1HE2 GLN 501 -3.053 22.851 17.755 219 H ARG 502 H ARG 502 3.174 25.779 14.202 220 HA ARG 502 HA ARG 502 1.969 24.470 11.801 221 HB2 ARG 502 1HB ARG 502 1.411 26.674 10.936 222 HB3 ARG 502 2HB ARG 502 0.633 26.386 12.489 223 HG2 ARG 502 1HG ARG 502 2.306 27.798 13.634 224 HG3 ARG 502 2HG ARG 502 3.180 28.032 12.110 225 HD2 ARG 502 1HD ARG 502 1.132 29.088 11.137 226 HD3 ARG 502 2HD ARG 502 0.326 28.947 12.699 227 HE ARG 502 HE ARG 502 2.434 30.840 11.905 228 HH11 ARG 502 1HH1 ARG 502 0.758 29.536 14.710 229 HH12 ARG 502 2HH1 ARG 502 1.302 30.840 15.734 230 HH21 ARG 502 1HH2 ARG 502 3.078 32.447 13.267 231 HH22 ARG 502 2HH2 ARG 502 2.573 32.440 14.936 232 H ASP 503 H ASP 503 4.778 24.440 12.977 233 HA ASP 503 HA ASP 503 6.284 25.484 10.611 234 HB2 ASP 503 1HB ASP 503 6.660 26.376 13.006 235 HB3 ASP 503 2HB ASP 503 7.469 24.845 13.322 236 H VAL 504 H VAL 504 7.233 24.075 9.294 237 HA VAL 504 HA VAL 504 7.148 21.161 9.877 238 HB VAL 504 HB VAL 504 7.957 22.435 7.242 239 HG11 VAL 504 1HG1 VAL 504 6.507 19.818 7.812 240 HG12 VAL 504 2HG1 VAL 504 7.295 20.332 6.300 241 HG13 VAL 504 3HG1 VAL 504 8.261 19.933 7.724 242 HG21 VAL 504 3HG2 VAL 504 5.609 22.127 6.461 243 HG22 VAL 504 1HG2 VAL 504 5.109 21.837 8.142 244 HG23 VAL 504 2HG2 VAL 504 5.764 23.415 7.656 245 H LEU 505 H LEU 505 8.976 20.011 10.304 246 HA LEU 505 HA LEU 505 11.649 21.371 10.069 247 HB2 LEU 505 1HB LEU 505 10.463 19.816 12.397 248 HB3 LEU 505 2HB LEU 505 12.100 20.452 12.341 249 HG LEU 505 HG LEU 505 9.638 22.251 12.170 250 HD11 LEU 505 1HD1 LEU 505 9.660 20.951 14.293 251 HD12 LEU 505 2HD1 LEU 505 9.842 22.696 14.492 252 HD13 LEU 505 3HD1 LEU 505 11.262 21.638 14.649 253 HD21 LEU 505 3HD2 LEU 505 12.565 22.802 12.846 254 HD22 LEU 505 1HD2 LEU 505 11.244 23.988 12.910 255 HD23 LEU 505 2HD2 LEU 505 11.710 23.283 11.360 256 H GLU 506 H GLU 506 13.462 20.045 9.800 257 HA GLU 506 HA GLU 506 12.804 17.369 8.651 258 HB2 GLU 506 1HB GLU 506 13.640 19.267 7.215 259 HB3 GLU 506 2HB GLU 506 15.196 19.123 8.011 260 HG2 GLU 506 1HG GLU 506 14.047 16.574 6.920 261 HG3 GLU 506 2HG GLU 506 14.354 17.814 5.719 262 H VAL 507 H VAL 507 13.401 15.623 9.720 263 HA VAL 507 HA VAL 507 14.897 15.792 12.164 264 HB VAL 507 HB VAL 507 13.942 13.313 10.681 265 HG11 VAL 507 1HG1 VAL 507 13.996 12.275 12.947 266 HG12 VAL 507 2HG1 VAL 507 15.608 12.748 12.416 267 HG13 VAL 507 3HG1 VAL 507 14.739 13.749 13.602 268 HG21 VAL 507 3HG2 VAL 507 12.053 14.808 11.190 269 HG22 VAL 507 1HG2 VAL 507 12.029 13.401 12.245 270 HG23 VAL 507 2HG2 VAL 507 12.602 14.962 12.875 271 H LEU 508 H LEU 508 16.941 15.669 12.536 272 HA LEU 508 HA LEU 508 18.841 14.705 10.446 273 HB2 LEU 508 1HB LEU 508 19.292 16.366 12.953 274 HB3 LEU 508 2HB LEU 508 20.482 16.019 11.704 275 HG LEU 508 HG LEU 508 17.965 17.713 11.353 276 HD11 LEU 508 1HD1 LEU 508 19.609 18.797 12.751 277 HD12 LEU 508 2HD1 LEU 508 19.626 19.562 11.166 278 HD13 LEU 508 3HD1 LEU 508 20.911 18.421 11.593 279 HD21 LEU 508 3HD2 LEU 508 18.941 18.339 9.170 280 HD22 LEU 508 1HD2 LEU 508 18.569 16.621 9.230 281 HD23 LEU 508 2HD2 LEU 508 20.254 17.159 9.414 282 H ASP 509 H ASP 509 17.934 14.205 13.861 283 HA ASP 509 HA ASP 509 19.200 11.570 13.870 284 HB2 ASP 509 1HB ASP 509 21.078 13.129 14.478 285 HB3 ASP 509 2HB ASP 509 20.115 13.714 15.837 286 H ASP 510 H ASP 510 18.371 10.225 15.380 287 HA ASP 510 HA ASP 510 16.198 11.140 17.202 288 HB2 ASP 510 1HB ASP 510 14.760 9.406 16.365 289 HB3 ASP 510 2HB ASP 510 15.265 10.412 15.023 290 H SER 511 H SER 511 19.069 10.092 17.539 291 HA SER 511 HA SER 511 19.184 7.495 18.561 292 HB2 SER 511 1HB SER 511 21.083 8.986 17.955 293 HB3 SER 511 2HB SER 511 20.813 9.909 19.445 294 HG SER 511 HG SER 511 22.442 8.278 19.622 295 H ARG 512 H ARG 512 18.073 10.383 20.252 296 HA ARG 512 HA ARG 512 17.190 8.770 22.593 297 HB2 ARG 512 1HB ARG 512 18.570 11.496 22.799 298 HB3 ARG 512 2HB ARG 512 17.907 10.544 24.123 299 HG2 ARG 512 1HG ARG 512 19.622 8.717 23.495 300 HG3 ARG 512 2HG ARG 512 20.362 9.939 22.448 301 HD2 ARG 512 1HD ARG 512 21.565 10.063 24.477 302 HD3 ARG 512 2HD ARG 512 20.479 11.462 24.494 303 HE ARG 512 HE ARG 512 19.365 9.079 25.789 304 HH11 ARG 512 1HH1 ARG 512 21.397 11.868 26.443 305 HH12 ARG 512 2HH1 ARG 512 21.136 11.755 28.165 306 HH21 ARG 512 1HH2 ARG 512 19.092 8.993 27.979 307 HH22 ARG 512 2HH2 ARG 512 19.871 10.167 29.006 308 H LYS 513 H LYS 513 15.717 10.284 24.014 309 HA LYS 513 HA LYS 513 13.422 11.023 22.555 310 HB2 LYS 513 1HB LYS 513 12.560 11.990 24.557 311 HB3 LYS 513 2HB LYS 513 13.382 10.491 24.942 312 HG2 LYS 513 1HG LYS 513 14.867 11.509 26.337 313 HG3 LYS 513 2HG LYS 513 15.198 12.804 25.211 314 HD2 LYS 513 1HD LYS 513 14.263 13.913 27.027 315 HD3 LYS 513 2HD LYS 513 12.937 13.825 25.860 316 HE2 LYS 513 1HE LYS 513 12.078 11.785 27.091 317 HE3 LYS 513 2HE LYS 513 13.406 11.965 28.246 318 HZ1 LYS 513 3HZ LYS 513 11.425 12.995 29.126 319 HZ2 LYS 513 1HZ LYS 513 11.222 13.935 27.807 320 HZ3 LYS 513 2HZ LYS 513 12.495 14.184 28.806 321 H TRP 514 H TRP 514 16.192 13.050 23.263 322 HA TRP 514 HA TRP 514 14.975 15.503 22.208 323 HB2 TRP 514 1HB TRP 514 17.834 14.812 22.964 324 HB3 TRP 514 2HB TRP 514 17.277 16.386 22.436 325 HD1 TRP 514 HD1 TRP 514 17.379 14.154 25.475 326 HE1 TRP 514 HE1 TRP 514 16.468 15.401 27.529 327 HE3 TRP 514 HE3 TRP 514 15.607 18.347 23.152 328 HZ2 TRP 514 HZ2 TRP 514 15.031 17.854 28.072 329 HZ3 TRP 514 HZ3 TRP 514 14.506 20.153 24.465 330 HH2 TRP 514 HH2 TRP 514 14.194 19.905 26.914 331 H TRP 515 H TRP 515 14.264 14.888 20.142 332 HA TRP 515 HA TRP 515 16.081 13.825 18.107 333 HB2 TRP 515 1HB TRP 515 13.316 15.058 18.033 334 HB3 TRP 515 2HB TRP 515 14.216 14.686 16.570 335 HD1 TRP 515 HD1 TRP 515 14.483 12.207 19.415 336 HE1 TRP 515 HE1 TRP 515 13.351 10.013 18.791 337 HE3 TRP 515 HE3 TRP 515 12.144 13.738 15.125 338 HZ2 TRP 515 HZ2 TRP 515 11.642 9.025 16.680 339 HZ3 TRP 515 HZ3 TRP 515 10.776 12.122 13.814 340 HH2 TRP 515 HH2 TRP 515 10.540 9.773 14.565 341 H LYS 516 H LYS 516 17.301 14.882 16.702 342 HA LYS 516 HA LYS 516 17.705 17.828 16.996 343 HB2 LYS 516 1HB LYS 516 19.634 16.111 16.972 344 HB3 LYS 516 2HB LYS 516 19.251 15.859 15.271 345 HG2 LYS 516 1HG LYS 516 19.557 18.392 14.961 346 HG3 LYS 516 2HG LYS 516 20.165 18.440 16.622 347 HD2 LYS 516 1HD LYS 516 21.995 16.878 16.009 348 HD3 LYS 516 2HD LYS 516 21.303 16.684 14.397 349 HE2 LYS 516 1HE LYS 516 23.056 18.184 14.048 350 HE3 LYS 516 2HE LYS 516 21.604 19.181 14.037 351 HZ1 LYS 516 3HZ LYS 516 23.533 18.895 16.285 352 HZ2 LYS 516 1HZ LYS 516 22.144 19.767 16.394 353 HZ3 LYS 516 2HZ LYS 516 23.324 20.209 15.341 354 H VAL 517 H VAL 517 16.951 19.220 15.488 355 HA VAL 517 HA VAL 517 16.129 18.207 12.804 356 HB VAL 517 HB VAL 517 14.060 19.400 12.810 357 HG11 VAL 517 1HG1 VAL 517 14.089 17.658 15.299 358 HG12 VAL 517 2HG1 VAL 517 12.710 18.031 14.244 359 HG13 VAL 517 3HG1 VAL 517 14.043 17.052 13.631 360 HG21 VAL 517 3HG2 VAL 517 14.619 20.123 15.717 361 HG22 VAL 517 1HG2 VAL 517 14.460 21.248 14.345 362 HG23 VAL 517 2HG2 VAL 517 13.063 20.318 14.901 363 H ARG 518 H ARG 518 15.944 19.803 11.175 364 HA ARG 518 HA ARG 518 17.570 22.280 11.634 365 HB2 ARG 518 1HB ARG 518 18.166 20.485 9.835 366 HB3 ARG 518 2HB ARG 518 16.791 21.109 8.936 367 HG2 ARG 518 1HG ARG 518 17.831 23.420 9.093 368 HG3 ARG 518 2HG ARG 518 19.238 22.684 9.876 369 HD2 ARG 518 1HD ARG 518 18.204 22.022 7.097 370 HD3 ARG 518 2HD ARG 518 19.579 23.082 7.453 371 HE ARG 518 HE ARG 518 20.369 20.821 8.714 372 HH11 ARG 518 1HH1 ARG 518 19.242 21.270 5.419 373 HH12 ARG 518 2HH1 ARG 518 20.091 19.859 4.847 374 HH21 ARG 518 1HH2 ARG 518 21.415 19.037 7.913 375 HH22 ARG 518 2HH2 ARG 518 21.290 18.639 6.221 376 H ASP 519 H ASP 519 16.481 24.062 11.823 377 HA ASP 519 HA ASP 519 13.678 24.449 11.055 378 HB2 ASP 519 1HB ASP 519 14.114 26.758 11.976 379 HB3 ASP 519 2HB ASP 519 14.432 25.438 13.091 380 HA PRO 520 HA PRO 520 14.331 26.277 7.088 381 HB2 PRO 520 1HB PRO 520 12.372 28.194 6.884 382 HB3 PRO 520 2HB PRO 520 12.061 26.434 6.902 383 HG2 PRO 520 1HG PRO 520 11.928 28.356 9.244 384 HG3 PRO 520 2HG PRO 520 10.691 27.164 8.721 385 HD2 PRO 520 1HD PRO 520 12.429 26.574 10.689 386 HD3 PRO 520 2HD PRO 520 12.001 25.339 9.475 387 H ALA 521 H ALA 521 14.971 28.257 9.842 388 HA ALA 521 HA ALA 521 15.959 30.595 8.348 389 HB1 ALA 521 1HB ALA 521 16.033 29.753 11.266 390 HB2 ALA 521 2HB ALA 521 16.973 31.117 10.663 391 HB3 ALA 521 3HB ALA 521 15.201 31.127 10.514 392 H GLY 522 H GLY 522 17.174 27.445 9.176 393 HA2 GLY 522 1HA GLY 522 19.034 26.526 8.005 394 HA3 GLY 522 2HA GLY 522 19.779 28.122 7.892 395 H GLN 523 H GLN 523 18.476 27.375 11.008 396 HA GLN 523 HA GLN 523 21.198 26.891 12.129 397 HB2 GLN 523 1HB GLN 523 18.701 27.515 13.719 398 HB3 GLN 523 2HB GLN 523 20.388 27.636 14.197 399 HG2 GLN 523 1HG GLN 523 20.586 29.527 12.446 400 HG3 GLN 523 2HG GLN 523 18.841 29.430 12.280 401 HE21 GLN 523 2HE2 GLN 523 19.172 31.809 12.939 402 HE22 GLN 523 1HE2 GLN 523 19.123 32.126 14.670 403 H GLU 524 H GLU 524 20.634 25.500 14.392 404 HA GLU 524 HA GLU 524 18.955 23.140 13.804 405 HB2 GLU 524 1HB GLU 524 21.921 22.973 14.424 406 HB3 GLU 524 2HB GLU 524 20.815 21.602 14.514 407 HG2 GLU 524 1HG GLU 524 20.380 21.754 12.105 408 HG3 GLU 524 2HG GLU 524 21.461 23.153 11.974 409 H GLY 525 H GLY 525 18.418 21.937 15.723 410 HA2 GLY 525 1HA GLY 525 19.593 22.533 18.294 411 HA3 GLY 525 2HA GLY 525 17.997 23.268 18.125 412 H TYR 526 H TYR 526 18.066 21.699 20.085 413 HA TYR 526 HA TYR 526 17.068 18.979 19.342 414 HB2 TYR 526 1HB TYR 526 18.601 20.039 21.746 415 HB3 TYR 526 2HB TYR 526 17.809 18.482 21.729 416 HD1 TYR 526 HD1 TYR 526 18.487 16.713 20.078 417 HD2 TYR 526 HD2 TYR 526 20.826 20.285 20.719 418 HE1 TYR 526 HE1 TYR 526 20.497 15.573 19.152 419 HE2 TYR 526 HE2 TYR 526 22.812 19.162 19.766 420 HH TYR 526 HH TYR 526 23.667 17.219 18.922 421 H VAL 527 H VAL 527 15.148 18.314 20.078 422 HA VAL 527 HA VAL 527 13.614 19.712 22.183 423 HB VAL 527 HB VAL 527 11.588 19.702 20.567 424 HG11 VAL 527 1HG1 VAL 527 13.696 21.817 20.046 425 HG12 VAL 527 2HG1 VAL 527 11.938 21.969 19.887 426 HG13 VAL 527 3HG1 VAL 527 12.667 21.751 21.487 427 HG21 VAL 527 3HG2 VAL 527 12.828 18.527 18.705 428 HG22 VAL 527 1HG2 VAL 527 11.962 20.010 18.233 429 HG23 VAL 527 2HG2 VAL 527 13.724 20.025 18.426 430 HA PRO 528 HA PRO 528 12.333 15.567 22.891 431 HB2 PRO 528 1HB PRO 528 9.851 15.820 24.087 432 HB3 PRO 528 2HB PRO 528 11.416 16.178 24.879 433 HG2 PRO 528 1HG PRO 528 9.465 18.104 23.616 434 HG3 PRO 528 2HG PRO 528 10.372 18.274 25.150 435 HD2 PRO 528 1HD PRO 528 11.164 19.468 22.814 436 HD3 PRO 528 2HD PRO 528 12.327 18.896 24.041 437 H TYR 529 H TYR 529 11.588 13.968 21.574 438 HA TYR 529 HA TYR 529 10.008 14.400 19.292 439 HB2 TYR 529 1HB TYR 529 10.169 12.142 18.889 440 HB3 TYR 529 2HB TYR 529 11.575 12.455 19.888 441 HD1 TYR 529 HD2 TYR 529 11.284 12.025 22.475 442 HD2 TYR 529 HD1 TYR 529 8.669 10.426 19.453 443 HE1 TYR 529 HE2 TYR 529 10.546 10.260 24.070 444 HE2 TYR 529 HE1 TYR 529 7.907 8.663 21.054 445 HH TYR 529 HH TYR 529 9.215 8.436 24.378 446 H ASN 530 H ASN 530 8.864 13.881 22.557 447 HA ASN 530 HA ASN 530 6.263 12.918 22.152 448 HB2 ASN 530 1HB ASN 530 7.345 13.156 24.342 449 HB3 ASN 530 2HB ASN 530 7.343 14.917 24.189 450 HD21 ASN 530 2HD2 ASN 530 5.144 12.069 24.412 451 HD22 ASN 530 1HD2 ASN 530 3.837 12.988 25.147 452 H ILE 531 H ILE 531 7.481 16.176 21.471 453 HA ILE 531 HA ILE 531 4.730 17.093 20.748 454 HB ILE 531 HB ILE 531 5.614 19.329 20.656 455 HG12 ILE 531 1HG1 ILE 531 8.273 18.283 21.673 456 HG13 ILE 531 2HG1 ILE 531 7.997 18.638 19.966 457 HG21 ILE 531 1HG2 ILE 531 4.772 18.366 22.810 458 HG22 ILE 531 2HG2 ILE 531 6.447 18.001 23.275 459 HG23 ILE 531 3HG2 ILE 531 5.929 19.682 23.034 460 HD11 ILE 531 3HD1 ILE 531 7.467 20.998 20.598 461 HD12 ILE 531 1HD1 ILE 531 7.927 20.590 22.274 462 HD13 ILE 531 2HD1 ILE 531 9.126 20.492 20.977 463 H LEU 532 H LEU 532 7.258 15.579 19.164 464 HA LEU 532 HA LEU 532 6.789 17.037 16.585 465 HB2 LEU 532 1HB LEU 532 9.027 15.175 17.350 466 HB3 LEU 532 2HB LEU 532 8.825 15.975 15.801 467 HG LEU 532 HG LEU 532 9.485 17.328 18.451 468 HD11 LEU 532 1HD1 LEU 532 11.348 16.144 17.542 469 HD12 LEU 532 2HD1 LEU 532 11.584 17.846 17.091 470 HD13 LEU 532 3HD1 LEU 532 11.011 16.704 15.888 471 HD21 LEU 532 3HD2 LEU 532 9.083 18.558 15.686 472 HD22 LEU 532 1HD2 LEU 532 9.760 19.391 17.105 473 HD23 LEU 532 2HD2 LEU 532 8.083 18.851 17.132 474 H THR 533 H THR 533 4.942 16.092 15.980 475 HA THR 533 HA THR 533 4.668 13.174 15.772 476 HB THR 533 HB THR 533 2.581 13.902 14.331 477 HG1 THR 533 HG1 THR 533 3.404 16.241 14.544 478 HG21 THR 533 3HG2 THR 533 2.793 14.401 17.328 479 HG22 THR 533 1HG2 THR 533 2.462 12.844 16.539 480 HG23 THR 533 2HG2 THR 533 1.280 14.154 16.418 481 HA PRO 534 HA PRO 534 6.317 12.655 11.672 482 HB2 PRO 534 1HB PRO 534 4.708 10.686 10.625 483 HB3 PRO 534 2HB PRO 534 5.949 10.391 11.878 484 HG2 PRO 534 1HG PRO 534 2.977 10.848 12.277 485 HG3 PRO 534 2HG PRO 534 3.996 9.537 12.957 486 HD2 PRO 534 1HD PRO 534 3.402 11.746 14.394 487 HD3 PRO 534 2HD PRO 534 5.033 11.020 14.487 488 H TYR 535 H TYR 535 5.623 12.738 9.345 489 HA TYR 535 HA TYR 535 3.218 14.473 8.928 490 HB2 TYR 535 1HB TYR 535 5.534 15.513 8.768 491 HB3 TYR 535 2HB TYR 535 5.729 14.652 7.270 492 HD1 TYR 535 HD2 TYR 535 2.999 14.967 5.962 493 HD2 TYR 535 HD1 TYR 535 5.343 17.747 8.300 494 HE1 TYR 535 HE2 TYR 535 1.771 16.857 4.950 495 HE2 TYR 535 HE1 TYR 535 4.119 19.639 7.249 496 HH TYR 535 HH TYR 535 2.454 20.258 5.824 497 HA PRO 536 HA PRO 536 2.643 10.506 6.573 498 HB2 PRO 536 1HB PRO 536 0.081 9.956 7.331 499 HB3 PRO 536 2HB PRO 536 1.504 9.553 8.335 500 HG2 PRO 536 1HG PRO 536 -0.316 11.966 8.587 501 HG3 PRO 536 2HG PRO 536 0.257 10.864 9.878 502 HD2 PRO 536 1HD PRO 536 1.469 13.262 9.354 503 HD3 PRO 536 2HD PRO 536 2.386 11.822 9.888 504 H ALA 537 H ALA 537 2.712 11.451 4.566 505 HA ALA 537 HA ALA 537 0.841 13.367 3.548 506 HB1 ALA 537 1HB ALA 537 3.132 13.046 2.686 507 HB2 ALA 537 2HB ALA 537 2.690 11.428 2.088 508 HB3 ALA 537 3HB ALA 537 1.929 12.876 1.394 509 H ALA 538 H ALA 538 0.549 9.930 3.903 510 HA ALA 538 HA ALA 538 -0.849 8.332 3.138 511 HB1 ALA 538 1HB ALA 538 -2.880 10.578 3.402 512 HB2 ALA 538 2HB ALA 538 -3.210 8.834 3.473 513 HB3 ALA 538 3HB ALA 538 -2.227 9.597 4.735 514 H ALA 539 H ALA 539 0.577 9.218 1.029 515 HA ALA 539 HA ALA 539 -1.264 9.007 -1.308 516 HB1 ALA 539 1HB ALA 539 0.987 11.039 -0.948 517 HB2 ALA 539 2HB ALA 539 0.004 10.820 -2.411 518 HB3 ALA 539 3HB ALA 539 -0.754 11.399 -0.916 519 H SER 540 H SER 540 -0.240 8.350 -3.266 520 HA SER 540 HA SER 540 1.445 6.083 -3.099 521 HB2 SER 540 1HB SER 540 0.836 7.832 -5.512 522 HB3 SER 540 2HB SER 540 1.495 6.185 -5.554 523 HG SER 540 HG SER 540 -0.802 6.199 -5.796 Start of MODEL 4 1 H1 GLY 473 H GLY 473 10.196 -0.958 -9.618 2 HA2 GLY 473 1HA GLY 473 12.806 -1.622 -9.715 3 HA3 GLY 473 2HA GLY 473 12.326 -1.636 -11.418 4 HA PRO 474 HA PRO 474 12.622 2.861 -11.260 5 HB2 PRO 474 1HB PRO 474 10.951 3.659 -13.264 6 HB3 PRO 474 2HB PRO 474 12.468 2.766 -13.575 7 HG2 PRO 474 1HG PRO 474 9.660 1.632 -13.363 8 HG3 PRO 474 2HG PRO 474 10.859 1.372 -14.672 9 HD2 PRO 474 1HD PRO 474 10.549 -0.400 -12.633 10 HD3 PRO 474 2HD PRO 474 12.165 -0.054 -13.321 11 H LEU 475 H LEU 475 11.075 4.864 -11.225 12 HA LEU 475 HA LEU 475 9.689 6.110 -9.961 13 HB2 LEU 475 1HB LEU 475 8.193 4.775 -11.629 14 HB3 LEU 475 2HB LEU 475 7.539 3.995 -10.201 15 HG LEU 475 HG LEU 475 7.601 7.017 -10.679 16 HD11 LEU 475 1HD1 LEU 475 6.247 5.880 -12.382 17 HD12 LEU 475 2HD1 LEU 475 5.216 6.790 -11.269 18 HD13 LEU 475 3HD1 LEU 475 5.342 5.021 -11.116 19 HD21 LEU 475 3HD2 LEU 475 5.781 7.086 -8.976 20 HD22 LEU 475 1HD2 LEU 475 7.314 6.534 -8.299 21 HD23 LEU 475 2HD2 LEU 475 6.031 5.354 -8.664 22 H GLY 476 H GLY 476 11.461 5.191 -8.449 23 HA2 GLY 476 1HA GLY 476 10.250 4.129 -5.914 24 HA3 GLY 476 2HA GLY 476 11.844 3.667 -6.515 25 H SER 477 H SER 477 10.751 6.985 -6.788 26 HA SER 477 HA SER 477 12.927 8.165 -5.391 27 HB2 SER 477 1HB SER 477 10.192 9.367 -5.973 28 HB3 SER 477 2HB SER 477 11.693 10.252 -5.651 29 HG SER 477 HG SER 477 11.233 10.096 -7.887 30 H GLY 478 H GLY 478 12.761 9.686 -3.570 31 HA2 GLY 478 1HA GLY 478 10.698 9.289 -1.514 32 HA3 GLY 478 2HA GLY 478 12.300 8.675 -1.097 33 H ALA 479 H ALA 479 11.648 10.362 0.619 34 HA ALA 479 HA ALA 479 13.099 12.890 0.091 35 HB1 ALA 479 1HB ALA 479 10.700 13.364 -0.380 36 HB2 ALA 479 2HB ALA 479 10.269 12.761 1.238 37 HB3 ALA 479 3HB ALA 479 11.261 14.224 1.062 38 H LEU 480 H LEU 480 13.364 14.134 2.192 39 HA LEU 480 HA LEU 480 14.493 12.517 4.294 40 HB2 LEU 480 1HB LEU 480 13.736 15.463 4.079 41 HB3 LEU 480 2HB LEU 480 14.419 14.781 5.532 42 HG LEU 480 HG LEU 480 16.088 15.947 4.295 43 HD11 LEU 480 1HD1 LEU 480 17.844 14.294 4.270 44 HD12 LEU 480 2HD1 LEU 480 16.671 12.968 4.149 45 HD13 LEU 480 3HD1 LEU 480 16.749 13.968 5.622 46 HD21 LEU 480 3HD2 LEU 480 16.960 15.326 2.163 47 HD22 LEU 480 1HD2 LEU 480 15.232 15.673 2.005 48 HD23 LEU 480 2HD2 LEU 480 15.816 13.981 2.010 49 H LYS 481 H LYS 481 13.848 12.552 6.553 50 HA LYS 481 HA LYS 481 10.949 12.168 7.019 51 HB2 LYS 481 1HB LYS 481 13.410 11.873 8.773 52 HB3 LYS 481 2HB LYS 481 11.750 11.755 9.390 53 HG2 LYS 481 1HG LYS 481 11.242 9.938 7.813 54 HG3 LYS 481 2HG LYS 481 12.887 10.017 7.155 55 HD2 LYS 481 1HD LYS 481 13.829 9.359 9.323 56 HD3 LYS 481 2HD LYS 481 12.211 9.381 10.063 57 HE2 LYS 481 1HE LYS 481 11.458 7.609 8.512 58 HE3 LYS 481 2HE LYS 481 13.046 7.593 7.732 59 HZ1 LYS 481 3HZ LYS 481 14.008 6.862 9.847 60 HZ2 LYS 481 1HZ LYS 481 12.838 5.821 9.385 61 HZ3 LYS 481 2HZ LYS 481 12.545 6.893 10.581 62 H TRP 482 H TRP 482 10.068 14.157 6.622 63 HA TRP 482 HA TRP 482 10.722 16.404 8.433 64 HB2 TRP 482 1HB TRP 482 8.460 16.120 6.435 65 HB3 TRP 482 2HB TRP 482 8.874 17.567 7.345 66 HD1 TRP 482 HD1 TRP 482 10.233 15.320 4.577 67 HE1 TRP 482 HE1 TRP 482 11.839 16.628 3.063 68 HE3 TRP 482 HE3 TRP 482 10.437 19.706 7.219 69 HZ2 TRP 482 HZ2 TRP 482 13.212 19.144 3.115 70 HZ3 TRP 482 HZ3 TRP 482 11.954 21.533 6.477 71 HH2 TRP 482 HH2 TRP 482 13.376 21.237 4.447 72 H VAL 483 H VAL 483 9.356 17.143 10.032 73 HA VAL 483 HA VAL 483 7.083 15.416 10.903 74 HB VAL 483 HB VAL 483 7.707 15.985 13.278 75 HG11 VAL 483 1HG1 VAL 483 9.573 14.158 11.729 76 HG12 VAL 483 2HG1 VAL 483 9.288 14.123 13.486 77 HG13 VAL 483 3HG1 VAL 483 7.972 13.745 12.367 78 HG21 VAL 483 3HG2 VAL 483 9.357 17.756 12.962 79 HG22 VAL 483 1HG2 VAL 483 10.072 16.384 13.816 80 HG23 VAL 483 2HG2 VAL 483 10.438 16.642 12.103 81 H LEU 484 H LEU 484 5.342 16.418 11.585 82 HA LEU 484 HA LEU 484 5.240 19.386 11.367 83 HB2 LEU 484 1HB LEU 484 3.693 17.868 9.987 84 HB3 LEU 484 2HB LEU 484 2.870 17.468 11.482 85 HG LEU 484 HG LEU 484 3.332 20.389 10.813 86 HD11 LEU 484 1HD1 LEU 484 2.498 19.526 8.709 87 HD12 LEU 484 2HD1 LEU 484 1.233 20.466 9.511 88 HD13 LEU 484 3HD1 LEU 484 1.164 18.688 9.532 89 HD21 LEU 484 3HD2 LEU 484 2.174 19.533 12.964 90 HD22 LEU 484 1HD2 LEU 484 0.817 19.098 11.919 91 HD23 LEU 484 2HD2 LEU 484 1.353 20.791 12.035 92 H CYS 485 H CYS 485 5.651 20.327 13.261 93 HA CYS 485 HA CYS 485 5.573 19.131 15.854 94 HB2 CYS 485 1HB CYS 485 5.675 21.947 14.730 95 HB3 CYS 485 2HB CYS 485 5.435 21.717 16.455 96 HG CYS 485 HG CYS 485 7.847 20.609 14.484 97 H ASN 486 H ASN 486 3.921 18.685 17.229 98 HA ASN 486 HA ASN 486 1.182 19.548 16.455 99 HB2 ASN 486 1HB ASN 486 2.064 17.103 17.000 100 HB3 ASN 486 2HB ASN 486 1.803 17.581 18.658 101 HD21 ASN 486 2HD2 ASN 486 -0.571 18.919 18.715 102 HD22 ASN 486 1HD2 ASN 486 -1.846 17.904 18.043 103 H TYR 487 H TYR 487 3.594 20.397 18.775 104 HA TYR 487 HA TYR 487 1.724 22.207 20.192 105 HB2 TYR 487 1HB TYR 487 3.564 20.261 21.641 106 HB3 TYR 487 2HB TYR 487 2.547 21.477 22.384 107 HD1 TYR 487 HD1 TYR 487 0.063 21.185 22.463 108 HD2 TYR 487 HD2 TYR 487 2.644 18.139 20.826 109 HE1 TYR 487 HE1 TYR 487 -1.805 19.542 22.567 110 HE2 TYR 487 HE2 TYR 487 0.779 16.491 20.951 111 HH TYR 487 HH TYR 487 -2.471 17.402 22.138 112 H ASP 488 H ASP 488 2.723 24.101 20.859 113 HA ASP 488 HA ASP 488 5.365 24.735 19.823 114 HB2 ASP 488 1HB ASP 488 4.978 26.933 20.713 115 HB3 ASP 488 2HB ASP 488 3.525 26.380 19.893 116 H PHE 489 H PHE 489 7.167 25.505 21.044 117 HA PHE 489 HA PHE 489 7.416 24.899 23.911 118 HB2 PHE 489 1HB PHE 489 7.761 22.698 22.935 119 HB3 PHE 489 2HB PHE 489 8.911 23.333 21.779 120 HD1 PHE 489 HD2 PHE 489 8.365 22.654 25.405 121 HD2 PHE 489 HD1 PHE 489 11.254 23.509 22.310 122 HE1 PHE 489 HE2 PHE 489 10.215 22.038 26.949 123 HE2 PHE 489 HE1 PHE 489 13.078 22.795 23.824 124 HZ PHE 489 HZ PHE 489 12.578 22.125 26.157 125 H GLN 490 H GLN 490 8.778 26.338 24.818 126 HA GLN 490 HA GLN 490 10.383 28.115 23.098 127 HB2 GLN 490 1HB GLN 490 8.772 28.923 24.850 128 HB3 GLN 490 2HB GLN 490 9.848 28.289 26.092 129 HG2 GLN 490 1HG GLN 490 10.651 30.320 23.956 130 HG3 GLN 490 2HG GLN 490 10.026 30.776 25.534 131 HE21 GLN 490 2HE2 GLN 490 12.787 31.092 24.117 132 HE22 GLN 490 1HE2 GLN 490 13.894 30.592 25.391 133 H ALA 491 H ALA 491 12.450 27.902 22.841 134 HA ALA 491 HA ALA 491 14.320 26.761 24.820 135 HB1 ALA 491 1HB ALA 491 14.197 24.723 23.956 136 HB2 ALA 491 2HB ALA 491 13.295 25.241 22.509 137 HB3 ALA 491 3HB ALA 491 15.052 25.384 22.565 138 H ARG 492 H ARG 492 16.094 28.079 24.739 139 HA ARG 492 HA ARG 492 17.316 28.866 22.172 140 HB2 ARG 492 1HB ARG 492 16.467 30.979 24.213 141 HB3 ARG 492 2HB ARG 492 17.642 31.251 22.927 142 HG2 ARG 492 1HG ARG 492 15.784 30.492 21.281 143 HG3 ARG 492 2HG ARG 492 14.683 30.754 22.641 144 HD2 ARG 492 1HD ARG 492 14.664 32.762 21.393 145 HD3 ARG 492 2HD ARG 492 15.662 33.110 22.818 146 HE ARG 492 HE ARG 492 17.339 32.180 20.684 147 HH11 ARG 492 1HH1 ARG 492 15.491 35.062 21.456 148 HH12 ARG 492 2HH1 ARG 492 16.490 36.073 20.441 149 HH21 ARG 492 1HH2 ARG 492 18.560 33.521 19.419 150 HH22 ARG 492 2HH2 ARG 492 18.178 35.218 19.322 151 H ASN 493 H ASN 493 17.937 27.038 24.350 152 HA ASN 493 HA ASN 493 20.192 28.094 25.863 153 HB2 ASN 493 1HB ASN 493 18.510 26.018 26.262 154 HB3 ASN 493 2HB ASN 493 19.789 25.139 25.435 155 HD21 ASN 493 2HD2 ASN 493 18.719 26.335 28.442 156 HD22 ASN 493 1HD2 ASN 493 20.240 26.157 29.308 157 H SER 494 H SER 494 22.313 26.510 25.653 158 HA SER 494 HA SER 494 23.685 27.442 23.350 159 HB2 SER 494 1HB SER 494 25.552 26.072 24.163 160 HB3 SER 494 2HB SER 494 24.790 27.002 25.463 161 HG SER 494 HG SER 494 25.153 24.864 26.116 162 H SER 495 H SER 495 21.776 24.553 23.640 163 HA SER 495 HA SER 495 22.408 23.886 20.827 164 HB2 SER 495 1HB SER 495 23.814 22.509 22.582 165 HB3 SER 495 2HB SER 495 22.306 21.631 22.843 166 HG SER 495 HG SER 495 23.791 21.968 20.430 167 H GLU 496 H GLU 496 20.038 25.075 22.257 168 HA GLU 496 HA GLU 496 17.940 23.081 21.446 169 HB2 GLU 496 1HB GLU 496 17.889 24.961 23.834 170 HB3 GLU 496 2HB GLU 496 16.526 24.009 23.240 171 HG2 GLU 496 1HG GLU 496 17.580 21.935 23.765 172 HG3 GLU 496 2HG GLU 496 19.087 22.757 24.195 173 H LEU 497 H LEU 497 16.039 23.960 20.536 174 HA LEU 497 HA LEU 497 16.025 26.848 19.850 175 HB2 LEU 497 1HB LEU 497 17.317 25.505 18.117 176 HB3 LEU 497 2HB LEU 497 15.826 24.640 17.770 177 HG LEU 497 HG LEU 497 15.187 27.437 17.674 178 HD11 LEU 497 1HD1 LEU 497 16.730 28.327 16.024 179 HD12 LEU 497 2HD1 LEU 497 17.712 26.847 16.091 180 HD13 LEU 497 3HD1 LEU 497 17.594 27.910 17.514 181 HD21 LEU 497 3HD2 LEU 497 15.643 25.421 15.463 182 HD22 LEU 497 1HD2 LEU 497 14.806 26.983 15.281 183 HD23 LEU 497 2HD2 LEU 497 14.122 25.721 16.321 184 H SER 498 H SER 498 14.039 27.708 19.552 185 HA SER 498 HA SER 498 11.764 26.371 20.701 186 HB2 SER 498 1HB SER 498 11.952 29.012 19.190 187 HB3 SER 498 2HB SER 498 10.565 28.473 20.150 188 HG SER 498 HG SER 498 13.210 28.824 21.170 189 H VAL 499 H VAL 499 9.691 25.979 19.784 190 HA VAL 499 HA VAL 499 9.422 25.882 16.821 191 HB VAL 499 HB VAL 499 8.499 23.638 16.833 192 HG11 VAL 499 1HG1 VAL 499 11.279 23.601 18.066 193 HG12 VAL 499 2HG1 VAL 499 10.536 22.350 17.056 194 HG13 VAL 499 3HG1 VAL 499 10.919 23.939 16.366 195 HG21 VAL 499 3HG2 VAL 499 8.668 22.102 18.677 196 HG22 VAL 499 1HG2 VAL 499 9.486 23.310 19.681 197 HG23 VAL 499 2HG2 VAL 499 7.771 23.510 19.246 198 H LYS 500 H LYS 500 7.189 25.403 16.120 199 HA LYS 500 HA LYS 500 5.086 26.483 17.978 200 HB2 LYS 500 1HB LYS 500 5.383 27.018 14.995 201 HB3 LYS 500 2HB LYS 500 4.109 27.640 16.022 202 HG2 LYS 500 1HG LYS 500 7.054 28.370 16.307 203 HG3 LYS 500 2HG LYS 500 5.857 29.278 15.385 204 HD2 LYS 500 1HD LYS 500 4.514 29.628 17.448 205 HD3 LYS 500 2HD LYS 500 5.774 28.794 18.394 206 HE2 LYS 500 1HE LYS 500 7.443 30.465 17.682 207 HE3 LYS 500 2HE LYS 500 6.250 31.252 16.640 208 HZ1 LYS 500 3HZ LYS 500 6.054 31.085 19.602 209 HZ2 LYS 500 1HZ LYS 500 4.967 31.822 18.623 210 HZ3 LYS 500 2HZ LYS 500 6.480 32.416 18.756 211 H GLN 501 H GLN 501 2.933 25.841 17.443 212 HA GLN 501 HA GLN 501 2.620 23.056 16.745 213 HB2 GLN 501 1HB GLN 501 1.309 24.148 18.445 214 HB3 GLN 501 2HB GLN 501 0.657 25.325 17.298 215 HG2 GLN 501 1HG GLN 501 -0.698 23.682 16.215 216 HG3 GLN 501 2HG GLN 501 0.118 22.347 17.020 217 HE21 GLN 501 2HE2 GLN 501 -2.652 22.486 17.043 218 HE22 GLN 501 1HE2 GLN 501 -3.199 22.910 18.661 219 H ARG 502 H ARG 502 2.966 25.659 14.653 220 HA ARG 502 HA ARG 502 1.675 24.187 12.382 221 HB2 ARG 502 1HB ARG 502 1.531 27.174 12.968 222 HB3 ARG 502 2HB ARG 502 0.944 26.394 11.490 223 HG2 ARG 502 1HG ARG 502 -0.716 25.103 12.749 224 HG3 ARG 502 2HG ARG 502 -0.096 25.729 14.278 225 HD2 ARG 502 1HD ARG 502 -2.046 26.941 13.851 226 HD3 ARG 502 2HD ARG 502 -0.683 28.037 13.580 227 HE ARG 502 HE ARG 502 -1.601 26.723 11.133 228 HH11 ARG 502 1HH1 ARG 502 -2.313 29.438 13.242 229 HH12 ARG 502 2HH1 ARG 502 -3.176 30.299 11.992 230 HH21 ARG 502 1HH2 ARG 502 -2.731 27.870 9.595 231 HH22 ARG 502 2HH2 ARG 502 -3.408 29.428 9.991 232 H ASP 503 H ASP 503 4.413 24.116 13.311 233 HA ASP 503 HA ASP 503 5.837 25.350 10.966 234 HB2 ASP 503 1HB ASP 503 6.249 26.577 12.997 235 HB3 ASP 503 2HB ASP 503 6.704 25.101 13.859 236 H VAL 504 H VAL 504 6.243 23.750 9.595 237 HA VAL 504 HA VAL 504 6.876 21.016 10.427 238 HB VAL 504 HB VAL 504 5.534 21.499 8.424 239 HG11 VAL 504 1HG1 VAL 504 6.517 22.230 6.332 240 HG12 VAL 504 2HG1 VAL 504 6.742 23.497 7.546 241 HG13 VAL 504 3HG1 VAL 504 8.103 22.449 7.091 242 HG21 VAL 504 3HG2 VAL 504 8.105 20.015 7.774 243 HG22 VAL 504 1HG2 VAL 504 6.715 19.349 8.662 244 HG23 VAL 504 2HG2 VAL 504 6.536 19.837 6.972 245 H LEU 505 H LEU 505 8.817 19.983 10.385 246 HA LEU 505 HA LEU 505 11.333 21.542 9.911 247 HB2 LEU 505 1HB LEU 505 10.522 20.017 12.421 248 HB3 LEU 505 2HB LEU 505 12.102 20.739 12.141 249 HG LEU 505 HG LEU 505 9.547 22.396 12.257 250 HD11 LEU 505 1HD1 LEU 505 10.083 21.115 14.395 251 HD12 LEU 505 2HD1 LEU 505 9.928 22.871 14.492 252 HD13 LEU 505 3HD1 LEU 505 11.541 22.124 14.502 253 HD21 LEU 505 3HD2 LEU 505 11.461 23.492 11.134 254 HD22 LEU 505 1HD2 LEU 505 12.497 23.118 12.531 255 HD23 LEU 505 2HD2 LEU 505 11.132 24.241 12.701 256 H GLU 506 H GLU 506 13.265 20.172 9.823 257 HA GLU 506 HA GLU 506 12.659 17.423 8.791 258 HB2 GLU 506 1HB GLU 506 13.719 19.063 7.243 259 HB3 GLU 506 2HB GLU 506 15.103 19.165 8.344 260 HG2 GLU 506 1HG GLU 506 15.274 16.590 8.029 261 HG3 GLU 506 2HG GLU 506 14.141 16.808 6.695 262 H VAL 507 H VAL 507 13.205 15.713 10.000 263 HA VAL 507 HA VAL 507 14.649 15.959 12.504 264 HB VAL 507 HB VAL 507 13.827 13.460 10.964 265 HG11 VAL 507 1HG1 VAL 507 13.898 12.376 13.207 266 HG12 VAL 507 2HG1 VAL 507 15.490 12.921 12.692 267 HG13 VAL 507 3HG1 VAL 507 14.579 13.862 13.897 268 HG21 VAL 507 3HG2 VAL 507 11.893 13.404 12.495 269 HG22 VAL 507 1HG2 VAL 507 12.379 14.972 13.185 270 HG23 VAL 507 2HG2 VAL 507 11.858 14.846 11.491 271 H LEU 508 H LEU 508 16.698 15.585 12.966 272 HA LEU 508 HA LEU 508 18.610 14.692 10.827 273 HB2 LEU 508 1HB LEU 508 19.096 16.569 13.161 274 HB3 LEU 508 2HB LEU 508 20.226 16.174 11.875 275 HG LEU 508 HG LEU 508 17.626 17.740 11.520 276 HD11 LEU 508 1HD1 LEU 508 19.179 18.986 12.848 277 HD12 LEU 508 2HD1 LEU 508 19.253 19.641 11.211 278 HD13 LEU 508 3HD1 LEU 508 20.537 18.563 11.778 279 HD21 LEU 508 3HD2 LEU 508 18.303 16.555 9.448 280 HD22 LEU 508 1HD2 LEU 508 19.933 17.256 9.582 281 HD23 LEU 508 2HD2 LEU 508 18.514 18.294 9.298 282 H ASP 509 H ASP 509 17.922 14.649 14.330 283 HA ASP 509 HA ASP 509 19.527 12.130 14.617 284 HB2 ASP 509 1HB ASP 509 19.111 14.359 16.647 285 HB3 ASP 509 2HB ASP 509 19.653 12.748 17.064 286 H ASP 510 H ASP 510 18.367 10.447 15.241 287 HA ASP 510 HA ASP 510 15.836 10.768 16.777 288 HB2 ASP 510 1HB ASP 510 14.792 9.020 15.382 289 HB3 ASP 510 2HB ASP 510 15.159 10.492 14.504 290 H SER 511 H SER 511 18.801 9.822 17.188 291 HA SER 511 HA SER 511 18.644 7.052 18.029 292 HB2 SER 511 1HB SER 511 20.962 7.510 18.831 293 HB3 SER 511 2HB SER 511 20.698 7.952 17.136 294 HG SER 511 HG SER 511 21.816 9.585 18.289 295 H ARG 512 H ARG 512 17.921 10.036 19.603 296 HA ARG 512 HA ARG 512 17.616 8.729 22.275 297 HB2 ARG 512 1HB ARG 512 18.835 11.482 21.705 298 HB3 ARG 512 2HB ARG 512 18.468 10.837 23.306 299 HG2 ARG 512 1HG ARG 512 20.067 8.949 22.864 300 HG3 ARG 512 2HG ARG 512 20.562 9.757 21.372 301 HD2 ARG 512 1HD ARG 512 20.711 10.988 24.154 302 HD3 ARG 512 2HD ARG 512 22.069 10.218 23.319 303 HE ARG 512 HE ARG 512 21.294 12.081 21.485 304 HH11 ARG 512 1HH1 ARG 512 22.114 12.435 24.884 305 HH12 ARG 512 2HH1 ARG 512 22.682 14.070 24.661 306 HH21 ARG 512 1HH2 ARG 512 22.056 14.158 21.285 307 HH22 ARG 512 2HH2 ARG 512 22.650 15.008 22.683 308 H LYS 513 H LYS 513 16.261 10.034 23.737 309 HA LYS 513 HA LYS 513 13.707 10.750 22.748 310 HB2 LYS 513 1HB LYS 513 13.253 11.538 24.991 311 HB3 LYS 513 2HB LYS 513 14.141 10.014 24.999 312 HG2 LYS 513 1HG LYS 513 16.288 11.472 25.295 313 HG3 LYS 513 2HG LYS 513 15.173 12.804 25.651 314 HD2 LYS 513 1HD LYS 513 14.281 11.635 27.557 315 HD3 LYS 513 2HD LYS 513 15.127 10.135 27.100 316 HE2 LYS 513 1HE LYS 513 17.313 11.219 27.408 317 HE3 LYS 513 2HE LYS 513 16.535 12.758 27.794 318 HZ1 LYS 513 3HZ LYS 513 17.228 11.536 29.790 319 HZ2 LYS 513 1HZ LYS 513 16.258 10.280 29.414 320 HZ3 LYS 513 2HZ LYS 513 15.609 11.736 29.785 321 H TRP 514 H TRP 514 16.500 12.870 23.282 322 HA TRP 514 HA TRP 514 14.989 15.274 22.430 323 HB2 TRP 514 1HB TRP 514 17.883 14.851 23.216 324 HB3 TRP 514 2HB TRP 514 17.250 16.349 22.572 325 HD1 TRP 514 HD1 TRP 514 17.116 14.200 25.715 326 HE1 TRP 514 HE1 TRP 514 16.124 15.559 27.663 327 HE3 TRP 514 HE3 TRP 514 15.792 18.428 23.163 328 HZ2 TRP 514 HZ2 TRP 514 14.894 18.141 28.050 329 HZ3 TRP 514 HZ3 TRP 514 14.765 20.355 24.353 330 HH2 TRP 514 HH2 TRP 514 14.295 20.215 26.787 331 H TRP 515 H TRP 515 14.324 14.891 20.373 332 HA TRP 515 HA TRP 515 16.096 13.926 18.241 333 HB2 TRP 515 1HB TRP 515 13.306 15.135 18.286 334 HB3 TRP 515 2HB TRP 515 14.179 14.816 16.793 335 HD1 TRP 515 HD1 TRP 515 14.532 12.277 19.539 336 HE1 TRP 515 HE1 TRP 515 13.441 10.067 18.892 337 HE3 TRP 515 HE3 TRP 515 12.023 13.861 15.377 338 HZ2 TRP 515 HZ2 TRP 515 11.662 9.107 16.838 339 HZ3 TRP 515 HZ3 TRP 515 10.617 12.256 14.093 340 HH2 TRP 515 HH2 TRP 515 10.440 9.889 14.799 341 H LYS 516 H LYS 516 17.208 15.152 16.793 342 HA LYS 516 HA LYS 516 17.327 18.114 17.274 343 HB2 LYS 516 1HB LYS 516 19.500 16.605 17.145 344 HB3 LYS 516 2HB LYS 516 19.214 16.672 15.413 345 HG2 LYS 516 1HG LYS 516 18.976 19.306 15.929 346 HG3 LYS 516 2HG LYS 516 19.891 18.884 17.369 347 HD2 LYS 516 1HD LYS 516 20.692 18.482 14.459 348 HD3 LYS 516 2HD LYS 516 21.354 19.684 15.561 349 HE2 LYS 516 1HE LYS 516 21.626 16.702 16.023 350 HE3 LYS 516 2HE LYS 516 22.753 17.619 15.022 351 HZ1 LYS 516 3HZ LYS 516 23.516 17.437 17.337 352 HZ2 LYS 516 1HZ LYS 516 22.219 18.284 17.865 353 HZ3 LYS 516 2HZ LYS 516 23.327 18.997 16.887 354 H VAL 517 H VAL 517 16.630 19.496 15.740 355 HA VAL 517 HA VAL 517 15.737 18.416 13.102 356 HB VAL 517 HB VAL 517 13.693 19.683 13.212 357 HG11 VAL 517 1HG1 VAL 517 13.863 17.869 15.645 358 HG12 VAL 517 2HG1 VAL 517 12.416 18.288 14.709 359 HG13 VAL 517 3HG1 VAL 517 13.689 17.315 13.965 360 HG21 VAL 517 3HG2 VAL 517 14.174 21.497 14.739 361 HG22 VAL 517 1HG2 VAL 517 12.847 20.544 15.424 362 HG23 VAL 517 2HG2 VAL 517 14.479 20.367 16.076 363 H ARG 518 H ARG 518 15.680 19.848 11.396 364 HA ARG 518 HA ARG 518 17.368 22.289 11.673 365 HB2 ARG 518 1HB ARG 518 17.722 20.407 9.880 366 HB3 ARG 518 2HB ARG 518 16.336 21.109 9.066 367 HG2 ARG 518 1HG ARG 518 17.569 23.366 9.194 368 HG3 ARG 518 2HG ARG 518 18.985 22.466 9.748 369 HD2 ARG 518 1HD ARG 518 17.509 22.083 7.111 370 HD3 ARG 518 2HD ARG 518 19.048 22.934 7.324 371 HE ARG 518 HE ARG 518 19.539 20.407 8.360 372 HH11 ARG 518 1HH1 ARG 518 18.579 21.612 5.209 373 HH12 ARG 518 2HH1 ARG 518 19.243 20.228 4.378 374 HH21 ARG 518 1HH2 ARG 518 20.291 18.632 7.235 375 HH22 ARG 518 2HH2 ARG 518 20.177 18.594 5.501 376 H ASP 519 H ASP 519 16.350 24.102 11.967 377 HA ASP 519 HA ASP 519 13.571 24.659 11.236 378 HB2 ASP 519 1HB ASP 519 14.138 26.945 12.104 379 HB3 ASP 519 2HB ASP 519 14.426 25.632 13.235 380 HA PRO 520 HA PRO 520 14.194 26.297 7.206 381 HB2 PRO 520 1HB PRO 520 12.349 28.329 6.998 382 HB3 PRO 520 2HB PRO 520 11.934 26.592 7.083 383 HG2 PRO 520 1HG PRO 520 11.996 28.588 9.366 384 HG3 PRO 520 2HG PRO 520 10.671 27.462 8.920 385 HD2 PRO 520 1HD PRO 520 12.427 26.818 10.850 386 HD3 PRO 520 2HD PRO 520 11.897 25.580 9.681 387 H ALA 521 H ALA 521 15.043 28.337 9.866 388 HA ALA 521 HA ALA 521 16.045 30.574 8.248 389 HB1 ALA 521 1HB ALA 521 16.661 29.900 11.155 390 HB2 ALA 521 2HB ALA 521 16.900 31.439 10.329 391 HB3 ALA 521 3HB ALA 521 15.249 30.850 10.618 392 H GLY 522 H GLY 522 17.191 27.431 9.174 393 HA2 GLY 522 1HA GLY 522 18.980 26.412 7.961 394 HA3 GLY 522 2HA GLY 522 19.809 27.964 7.843 395 H GLN 523 H GLN 523 18.514 27.309 10.992 396 HA GLN 523 HA GLN 523 21.228 26.618 12.034 397 HB2 GLN 523 1HB GLN 523 18.836 27.526 13.660 398 HB3 GLN 523 2HB GLN 523 20.513 27.407 14.151 399 HG2 GLN 523 1HG GLN 523 20.768 29.195 12.096 400 HG3 GLN 523 2HG GLN 523 19.103 29.515 12.559 401 HE21 GLN 523 2HE2 GLN 523 18.859 29.710 15.163 402 HE22 GLN 523 1HE2 GLN 523 20.117 30.693 15.903 403 H GLU 524 H GLU 524 20.638 25.336 14.341 404 HA GLU 524 HA GLU 524 18.772 23.098 13.868 405 HB2 GLU 524 1HB GLU 524 21.731 22.694 14.457 406 HB3 GLU 524 2HB GLU 524 20.493 21.438 14.536 407 HG2 GLU 524 1HG GLU 524 20.090 21.628 12.133 408 HG3 GLU 524 2HG GLU 524 21.281 22.929 12.009 409 H GLY 525 H GLY 525 18.175 22.017 15.825 410 HA2 GLY 525 1HA GLY 525 19.565 22.529 18.324 411 HA3 GLY 525 2HA GLY 525 18.017 23.368 18.257 412 H TYR 526 H TYR 526 18.846 21.289 20.077 413 HA TYR 526 HA TYR 526 17.280 18.898 19.464 414 HB2 TYR 526 1HB TYR 526 18.718 19.934 21.936 415 HB3 TYR 526 2HB TYR 526 17.747 18.479 21.948 416 HD1 TYR 526 HD1 TYR 526 18.227 16.779 19.939 417 HD2 TYR 526 HD2 TYR 526 21.060 19.584 21.579 418 HE1 TYR 526 HE1 TYR 526 20.086 15.389 19.077 419 HE2 TYR 526 HE2 TYR 526 22.934 18.190 20.723 420 HH TYR 526 HH TYR 526 22.307 15.298 18.655 421 H VAL 527 H VAL 527 15.329 18.331 20.184 422 HA VAL 527 HA VAL 527 13.754 19.921 22.106 423 HB VAL 527 HB VAL 527 11.747 19.723 20.518 424 HG11 VAL 527 1HG1 VAL 527 12.846 21.865 21.124 425 HG12 VAL 527 2HG1 VAL 527 13.878 21.711 19.689 426 HG13 VAL 527 3HG1 VAL 527 12.122 21.865 19.510 427 HG21 VAL 527 3HG2 VAL 527 12.804 18.272 18.787 428 HG22 VAL 527 1HG2 VAL 527 12.118 19.768 18.130 429 HG23 VAL 527 2HG2 VAL 527 13.871 19.616 18.343 430 HA PRO 528 HA PRO 528 12.504 15.796 23.200 431 HB2 PRO 528 1HB PRO 528 9.973 16.132 24.244 432 HB3 PRO 528 2HB PRO 528 11.475 16.626 25.080 433 HG2 PRO 528 1HG PRO 528 9.593 18.351 23.451 434 HG3 PRO 528 2HG PRO 528 10.318 18.702 25.049 435 HD2 PRO 528 1HD PRO 528 11.356 19.699 22.739 436 HD3 PRO 528 2HD PRO 528 12.405 19.206 24.097 437 H TYR 529 H TYR 529 11.687 14.050 22.056 438 HA TYR 529 HA TYR 529 10.283 14.380 19.618 439 HB2 TYR 529 1HB TYR 529 10.300 12.086 19.410 440 HB3 TYR 529 2HB TYR 529 11.714 12.406 20.387 441 HD1 TYR 529 HD2 TYR 529 11.445 12.104 23.004 442 HD2 TYR 529 HD1 TYR 529 8.657 10.543 20.105 443 HE1 TYR 529 HE2 TYR 529 10.650 10.459 24.672 444 HE2 TYR 529 HE1 TYR 529 7.844 8.896 21.791 445 HH TYR 529 HH TYR 529 9.233 8.727 25.086 446 H ASN 530 H ASN 530 8.983 14.197 22.833 447 HA ASN 530 HA ASN 530 6.472 13.064 22.448 448 HB2 ASN 530 1HB ASN 530 7.747 13.723 24.586 449 HB3 ASN 530 2HB ASN 530 7.101 15.347 24.370 450 HD21 ASN 530 2HD2 ASN 530 6.455 12.117 25.473 451 HD22 ASN 530 1HD2 ASN 530 4.797 12.420 25.975 452 H ILE 531 H ILE 531 7.448 16.343 21.615 453 HA ILE 531 HA ILE 531 4.661 17.179 21.024 454 HB ILE 531 HB ILE 531 5.585 19.424 20.737 455 HG12 ILE 531 1HG1 ILE 531 8.266 18.212 21.496 456 HG13 ILE 531 2HG1 ILE 531 7.840 18.805 19.889 457 HG21 ILE 531 1HG2 ILE 531 4.826 18.527 22.962 458 HG22 ILE 531 2HG2 ILE 531 6.523 18.185 23.360 459 HG23 ILE 531 3HG2 ILE 531 5.986 19.853 23.078 460 HD11 ILE 531 3HD1 ILE 531 7.520 21.091 20.896 461 HD12 ILE 531 1HD1 ILE 531 8.156 20.435 22.429 462 HD13 ILE 531 2HD1 ILE 531 9.181 20.462 20.990 463 H LEU 532 H LEU 532 6.847 15.472 19.320 464 HA LEU 532 HA LEU 532 6.396 16.849 16.705 465 HB2 LEU 532 1HB LEU 532 8.361 14.637 17.421 466 HB3 LEU 532 2HB LEU 532 8.261 15.499 15.893 467 HG LEU 532 HG LEU 532 9.096 16.700 18.573 468 HD11 LEU 532 1HD1 LEU 532 10.724 16.147 16.061 469 HD12 LEU 532 2HD1 LEU 532 10.761 15.166 17.536 470 HD13 LEU 532 3HD1 LEU 532 11.310 16.847 17.581 471 HD21 LEU 532 3HD2 LEU 532 8.993 17.962 15.798 472 HD22 LEU 532 1HD2 LEU 532 9.746 18.688 17.235 473 HD23 LEU 532 2HD2 LEU 532 8.004 18.414 17.206 474 H THR 533 H THR 533 5.545 15.739 14.980 475 HA THR 533 HA THR 533 4.685 12.923 15.255 476 HB THR 533 HB THR 533 2.450 13.677 14.102 477 HG1 THR 533 HG1 THR 533 3.293 16.042 14.389 478 HG21 THR 533 3HG2 THR 533 2.824 14.140 17.084 479 HG22 THR 533 1HG2 THR 533 2.591 12.559 16.304 480 HG23 THR 533 2HG2 THR 533 1.305 13.774 16.242 481 HA PRO 534 HA PRO 534 6.103 12.750 11.102 482 HB2 PRO 534 1HB PRO 534 4.479 10.885 9.889 483 HB3 PRO 534 2HB PRO 534 5.725 10.478 11.106 484 HG2 PRO 534 1HG PRO 534 2.756 10.909 11.562 485 HG3 PRO 534 2HG PRO 534 3.775 9.544 12.125 486 HD2 PRO 534 1HD PRO 534 3.203 11.619 13.754 487 HD3 PRO 534 2HD PRO 534 4.838 10.897 13.759 488 H TYR 535 H TYR 535 5.575 13.243 8.860 489 HA TYR 535 HA TYR 535 3.052 14.792 8.501 490 HB2 TYR 535 1HB TYR 535 4.992 16.265 8.820 491 HB3 TYR 535 2HB TYR 535 5.779 15.529 7.436 492 HD1 TYR 535 HD2 TYR 535 2.156 16.608 7.884 493 HD2 TYR 535 HD1 TYR 535 5.911 17.266 5.842 494 HE1 TYR 535 HE2 TYR 535 1.054 18.232 6.376 495 HE2 TYR 535 HE1 TYR 535 4.802 18.925 4.360 496 HH TYR 535 HH TYR 535 2.846 19.976 3.821 497 HA PRO 536 HA PRO 536 3.177 11.486 5.257 498 HB2 PRO 536 1HB PRO 536 0.683 10.463 5.637 499 HB3 PRO 536 2HB PRO 536 2.092 9.989 6.630 500 HG2 PRO 536 1HG PRO 536 -0.061 12.013 7.313 501 HG3 PRO 536 2HG PRO 536 0.605 10.706 8.340 502 HD2 PRO 536 1HD PRO 536 1.474 13.313 8.486 503 HD3 PRO 536 2HD PRO 536 2.548 11.917 8.790 504 H ALA 537 H ALA 537 3.222 12.867 3.581 505 HA ALA 537 HA ALA 537 0.764 14.370 2.776 506 HB1 ALA 537 1HB ALA 537 2.581 15.789 3.643 507 HB2 ALA 537 2HB ALA 537 3.700 15.112 2.440 508 HB3 ALA 537 3HB ALA 537 2.301 16.077 1.917 509 H ALA 538 H ALA 538 0.663 11.914 1.983 510 HA ALA 538 HA ALA 538 0.626 10.363 0.377 511 HB1 ALA 538 1HB ALA 538 0.700 12.703 -1.560 512 HB2 ALA 538 2HB ALA 538 0.070 11.074 -1.873 513 HB3 ALA 538 3HB ALA 538 -0.740 12.120 -0.695 514 H ALA 539 H ALA 539 3.298 11.117 1.370 515 HA ALA 539 HA ALA 539 5.282 10.879 -0.673 516 HB1 ALA 539 1HB ALA 539 6.767 10.334 1.226 517 HB2 ALA 539 2HB ALA 539 5.727 11.721 1.602 518 HB3 ALA 539 3HB ALA 539 5.356 10.118 2.283 519 H SER 540 H SER 540 6.355 9.152 -1.528 520 HA SER 540 HA SER 540 5.105 6.460 -1.334 521 HB2 SER 540 1HB SER 540 6.225 6.040 -3.490 522 HB3 SER 540 2HB SER 540 5.123 7.419 -3.533 523 HG SER 540 HG SER 540 7.972 7.514 -3.307 Start of MODEL 5 1 H1 GLY 473 H GLY 473 13.553 8.288 -8.295 2 HA2 GLY 473 1HA GLY 473 12.108 6.192 -6.878 3 HA3 GLY 473 2HA GLY 473 13.870 6.062 -6.967 4 HA PRO 474 HA PRO 474 14.097 8.825 -3.497 5 HB2 PRO 474 1HB PRO 474 16.650 9.801 -3.725 6 HB3 PRO 474 2HB PRO 474 16.280 8.109 -3.284 7 HG2 PRO 474 1HG PRO 474 16.968 9.207 -6.028 8 HG3 PRO 474 2HG PRO 474 17.686 7.792 -5.191 9 HD2 PRO 474 1HD PRO 474 15.707 7.511 -7.023 10 HD3 PRO 474 2HD PRO 474 15.758 6.480 -5.561 11 H LEU 475 H LEU 475 14.543 11.092 -2.897 12 HA LEU 475 HA LEU 475 13.844 13.064 -5.046 13 HB2 LEU 475 1HB LEU 475 12.788 12.780 -2.203 14 HB3 LEU 475 2HB LEU 475 12.454 14.164 -3.237 15 HG LEU 475 HG LEU 475 11.611 11.303 -3.869 16 HD11 LEU 475 1HD1 LEU 475 9.345 12.113 -3.357 17 HD12 LEU 475 2HD1 LEU 475 10.001 13.701 -2.898 18 HD13 LEU 475 3HD1 LEU 475 10.404 12.254 -1.944 19 HD21 LEU 475 3HD2 LEU 475 10.174 12.409 -5.591 20 HD22 LEU 475 1HD2 LEU 475 11.892 12.592 -5.938 21 HD23 LEU 475 2HD2 LEU 475 10.983 13.955 -5.247 22 H GLY 476 H GLY 476 16.478 12.314 -3.670 23 HA2 GLY 476 1HA GLY 476 18.090 14.391 -3.839 24 HA3 GLY 476 2HA GLY 476 17.245 14.878 -2.368 25 H SER 477 H SER 477 18.915 14.706 -0.979 26 HA SER 477 HA SER 477 20.672 12.455 -0.597 27 HB2 SER 477 1HB SER 477 19.943 14.758 1.252 28 HB3 SER 477 2HB SER 477 21.296 13.631 1.481 29 HG SER 477 HG SER 477 21.945 15.571 0.454 30 H GLY 478 H GLY 478 18.601 10.993 -0.757 31 HA2 GLY 478 1HA GLY 478 17.730 9.132 0.409 32 HA3 GLY 478 2HA GLY 478 18.017 9.927 1.952 33 H ALA 479 H ALA 479 15.758 8.768 1.959 34 HA ALA 479 HA ALA 479 13.485 10.317 0.992 35 HB1 ALA 479 1HB ALA 479 13.329 7.895 1.303 36 HB2 ALA 479 2HB ALA 479 13.696 8.064 3.035 37 HB3 ALA 479 3HB ALA 479 12.190 8.734 2.373 38 H LEU 480 H LEU 480 13.699 12.429 1.723 39 HA LEU 480 HA LEU 480 14.025 13.311 4.393 40 HB2 LEU 480 1HB LEU 480 12.807 15.355 3.674 41 HB3 LEU 480 2HB LEU 480 14.168 14.899 2.690 42 HG LEU 480 HG LEU 480 12.354 13.808 1.092 43 HD11 LEU 480 1HD1 LEU 480 10.239 14.934 1.021 44 HD12 LEU 480 2HD1 LEU 480 10.674 16.013 2.350 45 HD13 LEU 480 3HD1 LEU 480 10.395 14.289 2.654 46 HD21 LEU 480 3HD2 LEU 480 13.813 15.666 0.482 47 HD22 LEU 480 1HD2 LEU 480 12.776 16.816 1.354 48 HD23 LEU 480 2HD2 LEU 480 12.168 15.970 -0.090 49 H LYS 481 H LYS 481 12.613 13.865 6.054 50 HA LYS 481 HA LYS 481 9.894 12.722 6.088 51 HB2 LYS 481 1HB LYS 481 11.557 10.816 6.552 52 HB3 LYS 481 2HB LYS 481 11.976 11.664 8.035 53 HG2 LYS 481 1HG LYS 481 10.333 10.134 8.743 54 HG3 LYS 481 2HG LYS 481 9.425 11.623 8.573 55 HD2 LYS 481 1HD LYS 481 8.033 10.010 7.572 56 HD3 LYS 481 2HD LYS 481 8.783 10.822 6.203 57 HE2 LYS 481 1HE LYS 481 8.839 8.502 5.705 58 HE3 LYS 481 2HE LYS 481 10.498 8.947 6.114 59 HZ1 LYS 481 3HZ LYS 481 9.809 6.880 7.208 60 HZ2 LYS 481 1HZ LYS 481 8.567 7.621 7.959 61 HZ3 LYS 481 2HZ LYS 481 10.109 8.005 8.349 62 H TRP 482 H TRP 482 9.738 15.037 6.187 63 HA TRP 482 HA TRP 482 10.550 16.564 8.446 64 HB2 TRP 482 1HB TRP 482 8.235 17.044 6.538 65 HB3 TRP 482 2HB TRP 482 8.882 18.209 7.681 66 HD1 TRP 482 HD1 TRP 482 10.306 16.122 4.723 67 HE1 TRP 482 HE1 TRP 482 11.919 17.544 3.366 68 HE3 TRP 482 HE3 TRP 482 10.212 20.418 7.544 69 HZ2 TRP 482 HZ2 TRP 482 13.128 20.097 3.516 70 HZ3 TRP 482 HZ3 TRP 482 11.662 22.328 6.911 71 HH2 TRP 482 HH2 TRP 482 13.129 22.180 4.896 72 H VAL 483 H VAL 483 9.398 17.321 10.214 73 HA VAL 483 HA VAL 483 7.099 15.645 11.139 74 HB VAL 483 HB VAL 483 7.880 16.270 13.471 75 HG11 VAL 483 1HG1 VAL 483 8.094 14.016 12.602 76 HG12 VAL 483 2HG1 VAL 483 9.604 14.433 11.774 77 HG13 VAL 483 3HG1 VAL 483 9.526 14.431 13.552 78 HG21 VAL 483 3HG2 VAL 483 10.239 16.726 13.840 79 HG22 VAL 483 1HG2 VAL 483 10.541 16.840 12.103 80 HG23 VAL 483 2HG2 VAL 483 9.510 18.041 12.914 81 H LEU 484 H LEU 484 5.370 16.578 11.918 82 HA LEU 484 HA LEU 484 5.115 19.533 11.698 83 HB2 LEU 484 1HB LEU 484 3.510 18.008 10.388 84 HB3 LEU 484 2HB LEU 484 2.907 17.446 11.933 85 HG LEU 484 HG LEU 484 2.287 19.829 12.520 86 HD11 LEU 484 1HD1 LEU 484 2.126 21.463 10.628 87 HD12 LEU 484 2HD1 LEU 484 3.097 20.362 9.626 88 HD13 LEU 484 3HD1 LEU 484 3.791 21.116 11.081 89 HD21 LEU 484 3HD2 LEU 484 1.098 18.801 9.914 90 HD22 LEU 484 1HD2 LEU 484 0.330 19.921 11.059 91 HD23 LEU 484 2HD2 LEU 484 0.649 18.246 11.542 92 H CYS 485 H CYS 485 5.731 20.383 13.595 93 HA CYS 485 HA CYS 485 5.541 19.340 16.226 94 HB2 CYS 485 1HB CYS 485 5.606 22.086 14.947 95 HB3 CYS 485 2HB CYS 485 5.282 21.964 16.673 96 HG CYS 485 HG CYS 485 7.833 20.831 14.900 97 H ASN 486 H ASN 486 3.854 18.909 17.558 98 HA ASN 486 HA ASN 486 1.134 19.938 16.803 99 HB2 ASN 486 1HB ASN 486 2.159 17.283 17.624 100 HB3 ASN 486 2HB ASN 486 0.738 17.807 18.525 101 HD21 ASN 486 2HD2 ASN 486 1.875 17.870 15.089 102 HD22 ASN 486 1HD2 ASN 486 0.301 17.426 14.445 103 H TYR 487 H TYR 487 3.538 20.367 19.137 104 HA TYR 487 HA TYR 487 1.701 22.064 20.727 105 HB2 TYR 487 1HB TYR 487 3.698 20.104 21.931 106 HB3 TYR 487 2HB TYR 487 2.780 21.302 22.816 107 HD1 TYR 487 HD1 TYR 487 2.584 18.063 20.988 108 HD2 TYR 487 HD2 TYR 487 0.426 20.968 23.350 109 HE1 TYR 487 HE1 TYR 487 0.729 16.439 21.287 110 HE2 TYR 487 HE2 TYR 487 -1.432 19.331 23.651 111 HH TYR 487 HH TYR 487 -1.329 16.064 22.195 112 H ASP 488 H ASP 488 2.624 24.020 21.176 113 HA ASP 488 HA ASP 488 5.149 24.783 19.982 114 HB2 ASP 488 1HB ASP 488 3.630 26.293 22.129 115 HB3 ASP 488 2HB ASP 488 4.743 26.939 20.945 116 H PHE 489 H PHE 489 7.117 25.375 21.024 117 HA PHE 489 HA PHE 489 7.470 24.931 23.918 118 HB2 PHE 489 1HB PHE 489 7.686 22.670 22.978 119 HB3 PHE 489 2HB PHE 489 8.901 23.228 21.841 120 HD1 PHE 489 HD2 PHE 489 8.189 22.585 25.439 121 HD2 PHE 489 HD1 PHE 489 11.216 23.417 22.483 122 HE1 PHE 489 HE2 PHE 489 9.959 22.029 27.093 123 HE2 PHE 489 HE1 PHE 489 12.983 22.829 24.131 124 HZ PHE 489 HZ PHE 489 12.357 22.149 26.439 125 H GLN 490 H GLN 490 8.739 26.540 24.626 126 HA GLN 490 HA GLN 490 10.521 27.958 22.712 127 HB2 GLN 490 1HB GLN 490 8.667 29.143 23.974 128 HB3 GLN 490 2HB GLN 490 9.596 28.869 25.457 129 HG2 GLN 490 1HG GLN 490 11.497 30.154 24.476 130 HG3 GLN 490 2HG GLN 490 10.583 30.350 22.976 131 HE21 GLN 490 2HE2 GLN 490 11.118 32.738 23.532 132 HE22 GLN 490 1HE2 GLN 490 9.941 33.553 24.551 133 H ALA 491 H ALA 491 12.688 27.963 22.963 134 HA ALA 491 HA ALA 491 13.936 26.529 25.293 135 HB1 ALA 491 1HB ALA 491 14.413 24.796 24.042 136 HB2 ALA 491 2HB ALA 491 13.431 25.444 22.729 137 HB3 ALA 491 3HB ALA 491 15.163 25.799 22.792 138 H ARG 492 H ARG 492 15.326 27.857 22.275 139 HA ARG 492 HA ARG 492 17.012 29.367 21.895 140 HB2 ARG 492 1HB ARG 492 15.359 30.883 23.957 141 HB3 ARG 492 2HB ARG 492 16.538 31.643 22.886 142 HG2 ARG 492 1HG ARG 492 15.252 31.316 20.953 143 HG3 ARG 492 2HG ARG 492 14.254 30.062 21.683 144 HD2 ARG 492 1HD ARG 492 12.740 31.509 22.373 145 HD3 ARG 492 2HD ARG 492 13.917 32.437 23.285 146 HE ARG 492 HE ARG 492 12.813 33.041 20.634 147 HH11 ARG 492 1HH1 ARG 492 15.485 33.827 22.782 148 HH12 ARG 492 2HH1 ARG 492 15.698 35.404 22.066 149 HH21 ARG 492 1HH2 ARG 492 13.125 35.071 19.813 150 HH22 ARG 492 2HH2 ARG 492 14.401 36.081 20.437 151 H ASN 493 H ASN 493 17.783 27.424 23.678 152 HA ASN 493 HA ASN 493 19.751 28.778 25.461 153 HB2 ASN 493 1HB ASN 493 17.713 26.659 26.011 154 HB3 ASN 493 2HB ASN 493 19.305 26.322 26.651 155 HD21 ASN 493 2HD2 ASN 493 16.614 28.638 26.777 156 HD22 ASN 493 1HD2 ASN 493 17.133 29.360 28.301 157 H SER 494 H SER 494 21.481 26.973 26.163 158 HA SER 494 HA SER 494 23.191 26.531 24.001 159 HB2 SER 494 1HB SER 494 23.051 24.960 26.601 160 HB3 SER 494 2HB SER 494 24.445 25.048 25.509 161 HG SER 494 HG SER 494 24.580 27.269 25.932 162 H SER 495 H SER 495 22.807 25.395 22.238 163 HA SER 495 HA SER 495 22.234 23.862 20.740 164 HB2 SER 495 1HB SER 495 22.590 21.551 21.100 165 HB3 SER 495 2HB SER 495 23.799 22.453 22.013 166 HG SER 495 HG SER 495 22.129 22.231 23.795 167 H GLU 496 H GLU 496 19.980 25.085 22.467 168 HA GLU 496 HA GLU 496 17.805 23.152 21.695 169 HB2 GLU 496 1HB GLU 496 17.838 25.141 23.997 170 HB3 GLU 496 2HB GLU 496 16.497 24.103 23.506 171 HG2 GLU 496 1HG GLU 496 17.562 22.119 24.174 172 HG3 GLU 496 2HG GLU 496 19.123 22.917 24.394 173 H LEU 497 H LEU 497 16.047 23.978 20.603 174 HA LEU 497 HA LEU 497 16.109 26.863 19.797 175 HB2 LEU 497 1HB LEU 497 17.253 25.333 18.149 176 HB3 LEU 497 2HB LEU 497 15.739 24.457 17.974 177 HG LEU 497 HG LEU 497 14.974 27.127 17.542 178 HD11 LEU 497 1HD1 LEU 497 16.542 28.067 15.945 179 HD12 LEU 497 2HD1 LEU 497 17.651 26.701 16.172 180 HD13 LEU 497 3HD1 LEU 497 17.341 27.832 17.509 181 HD21 LEU 497 3HD2 LEU 497 14.793 26.486 15.193 182 HD22 LEU 497 1HD2 LEU 497 14.199 25.210 16.265 183 HD23 LEU 497 2HD2 LEU 497 15.796 25.047 15.503 184 H SER 498 H SER 498 14.162 27.851 19.710 185 HA SER 498 HA SER 498 11.804 26.567 20.763 186 HB2 SER 498 1HB SER 498 10.641 28.627 20.340 187 HB3 SER 498 2HB SER 498 12.227 29.001 21.016 188 HG SER 498 HG SER 498 12.924 29.548 18.899 189 H VAL 499 H VAL 499 9.829 26.138 19.821 190 HA VAL 499 HA VAL 499 9.537 26.053 16.872 191 HB VAL 499 HB VAL 499 8.723 23.782 16.859 192 HG11 VAL 499 1HG1 VAL 499 10.794 22.539 17.097 193 HG12 VAL 499 2HG1 VAL 499 11.133 24.136 16.404 194 HG13 VAL 499 3HG1 VAL 499 11.496 23.805 18.111 195 HG21 VAL 499 3HG2 VAL 499 9.628 23.545 19.754 196 HG22 VAL 499 1HG2 VAL 499 7.935 23.521 19.196 197 HG23 VAL 499 2HG2 VAL 499 9.033 22.220 18.735 198 H LYS 500 H LYS 500 7.309 25.564 16.208 199 HA LYS 500 HA LYS 500 5.205 26.417 18.173 200 HB2 LYS 500 1HB LYS 500 5.522 27.330 15.281 201 HB3 LYS 500 2HB LYS 500 4.220 27.802 16.341 202 HG2 LYS 500 1HG LYS 500 7.108 28.542 16.976 203 HG3 LYS 500 2HG LYS 500 6.140 29.431 15.812 204 HD2 LYS 500 1HD LYS 500 5.860 30.672 17.746 205 HD3 LYS 500 2HD LYS 500 4.371 29.732 17.625 206 HE2 LYS 500 1HE LYS 500 5.512 28.050 19.232 207 HE3 LYS 500 2HE LYS 500 6.761 29.276 19.462 208 HZ1 LYS 500 3HZ LYS 500 3.860 29.614 20.038 209 HZ2 LYS 500 1HZ LYS 500 4.965 30.812 20.186 210 HZ3 LYS 500 2HZ LYS 500 5.050 29.503 21.159 211 H GLN 501 H GLN 501 3.072 25.838 17.570 212 HA GLN 501 HA GLN 501 2.724 23.157 16.655 213 HB2 GLN 501 1HB GLN 501 1.310 24.414 18.276 214 HB3 GLN 501 2HB GLN 501 0.665 25.386 16.946 215 HG2 GLN 501 1HG GLN 501 -0.390 23.380 15.971 216 HG3 GLN 501 2HG GLN 501 0.394 22.354 17.175 217 HE21 GLN 501 2HE2 GLN 501 -0.821 21.936 19.049 218 HE22 GLN 501 1HE2 GLN 501 -2.243 22.878 19.501 219 H ARG 502 H ARG 502 3.115 25.954 14.744 220 HA ARG 502 HA ARG 502 2.071 24.570 12.300 221 HB2 ARG 502 1HB ARG 502 1.963 27.522 13.052 222 HB3 ARG 502 2HB ARG 502 1.556 26.892 11.450 223 HG2 ARG 502 1HG ARG 502 -0.308 25.611 12.308 224 HG3 ARG 502 2HG ARG 502 0.141 25.953 13.980 225 HD2 ARG 502 1HD ARG 502 -1.712 27.340 13.428 226 HD3 ARG 502 2HD ARG 502 -0.273 28.347 13.651 227 HE ARG 502 HE ARG 502 -0.712 27.621 10.858 228 HH11 ARG 502 1HH1 ARG 502 -1.771 29.910 13.300 229 HH12 ARG 502 2HH1 ARG 502 -2.263 31.090 12.111 230 HH21 ARG 502 1HH2 ARG 502 -1.363 29.170 9.399 231 HH22 ARG 502 2HH2 ARG 502 -2.042 30.674 9.966 232 H ASP 503 H ASP 503 4.792 24.557 13.563 233 HA ASP 503 HA ASP 503 6.354 25.714 11.279 234 HB2 ASP 503 1HB ASP 503 6.752 26.664 13.554 235 HB3 ASP 503 2HB ASP 503 7.339 25.084 14.078 236 H VAL 504 H VAL 504 6.721 24.197 9.824 237 HA VAL 504 HA VAL 504 7.037 21.351 10.525 238 HB VAL 504 HB VAL 504 5.623 22.041 8.641 239 HG11 VAL 504 1HG1 VAL 504 6.951 23.950 7.745 240 HG12 VAL 504 2HG1 VAL 504 8.173 22.801 7.160 241 HG13 VAL 504 3HG1 VAL 504 6.525 22.758 6.511 242 HG21 VAL 504 3HG2 VAL 504 6.346 20.348 7.080 243 HG22 VAL 504 1HG2 VAL 504 7.982 20.362 7.753 244 HG23 VAL 504 2HG2 VAL 504 6.617 19.784 8.738 245 H LEU 505 H LEU 505 8.899 20.212 10.491 246 HA LEU 505 HA LEU 505 11.499 21.657 10.048 247 HB2 LEU 505 1HB LEU 505 10.633 20.022 12.465 248 HB3 LEU 505 2HB LEU 505 12.191 20.808 12.265 249 HG LEU 505 HG LEU 505 9.576 22.372 12.402 250 HD11 LEU 505 1HD1 LEU 505 11.470 21.890 14.704 251 HD12 LEU 505 2HD1 LEU 505 9.953 20.995 14.458 252 HD13 LEU 505 3HD1 LEU 505 9.909 22.741 14.696 253 HD21 LEU 505 3HD2 LEU 505 11.062 24.228 13.047 254 HD22 LEU 505 1HD2 LEU 505 11.462 23.607 11.442 255 HD23 LEU 505 2HD2 LEU 505 12.480 23.177 12.841 256 H GLU 506 H GLU 506 13.342 20.231 9.681 257 HA GLU 506 HA GLU 506 12.497 17.526 8.733 258 HB2 GLU 506 1HB GLU 506 13.252 18.861 6.940 259 HB3 GLU 506 2HB GLU 506 14.674 19.389 7.815 260 HG2 GLU 506 1HG GLU 506 15.161 17.833 6.007 261 HG3 GLU 506 2HG GLU 506 15.746 17.271 7.571 262 H VAL 507 H VAL 507 13.186 15.778 9.645 263 HA VAL 507 HA VAL 507 14.789 15.827 12.057 264 HB VAL 507 HB VAL 507 13.734 13.462 10.453 265 HG11 VAL 507 1HG1 VAL 507 13.933 12.239 12.619 266 HG12 VAL 507 2HG1 VAL 507 15.505 12.741 12.006 267 HG13 VAL 507 3HG1 VAL 507 14.742 13.648 13.335 268 HG21 VAL 507 3HG2 VAL 507 11.928 13.416 12.140 269 HG22 VAL 507 1HG2 VAL 507 12.560 14.909 12.874 270 HG23 VAL 507 2HG2 VAL 507 11.897 14.920 11.226 271 H LEU 508 H LEU 508 16.827 15.451 12.367 272 HA LEU 508 HA LEU 508 18.598 14.607 10.096 273 HB2 LEU 508 1HB LEU 508 19.391 16.153 12.570 274 HB3 LEU 508 2HB LEU 508 20.285 15.987 11.063 275 HG LEU 508 HG LEU 508 17.723 17.593 11.467 276 HD11 LEU 508 1HD1 LEU 508 20.558 18.567 11.007 277 HD12 LEU 508 2HD1 LEU 508 19.791 18.429 12.605 278 HD13 LEU 508 3HD1 LEU 508 19.114 19.518 11.422 279 HD21 LEU 508 3HD2 LEU 508 18.151 18.530 9.243 280 HD22 LEU 508 1HD2 LEU 508 17.910 16.788 9.129 281 HD23 LEU 508 2HD2 LEU 508 19.555 17.454 9.032 282 H ASP 509 H ASP 509 17.847 14.149 13.538 283 HA ASP 509 HA ASP 509 19.102 11.506 13.550 284 HB2 ASP 509 1HB ASP 509 20.908 13.191 14.153 285 HB3 ASP 509 2HB ASP 509 19.962 13.609 15.582 286 H ASP 510 H ASP 510 18.099 10.176 14.938 287 HA ASP 510 HA ASP 510 16.000 11.135 16.811 288 HB2 ASP 510 1HB ASP 510 14.458 9.417 15.873 289 HB3 ASP 510 2HB ASP 510 14.835 10.730 14.770 290 H SER 511 H SER 511 18.802 9.711 16.843 291 HA SER 511 HA SER 511 18.610 7.109 17.858 292 HB2 SER 511 1HB SER 511 20.661 8.252 17.101 293 HB3 SER 511 2HB SER 511 20.624 9.285 18.542 294 HG SER 511 HG SER 511 22.028 7.481 18.751 295 H ARG 512 H ARG 512 17.980 10.106 19.608 296 HA ARG 512 HA ARG 512 17.376 8.600 22.123 297 HB2 ARG 512 1HB ARG 512 18.786 11.309 22.006 298 HB3 ARG 512 2HB ARG 512 18.415 10.352 23.437 299 HG2 ARG 512 1HG ARG 512 19.981 8.537 22.437 300 HG3 ARG 512 2HG ARG 512 20.485 9.789 21.289 301 HD2 ARG 512 1HD ARG 512 22.075 9.881 23.029 302 HD3 ARG 512 2HD ARG 512 21.008 11.270 23.300 303 HE ARG 512 HE ARG 512 20.226 8.822 24.734 304 HH11 ARG 512 1HH1 ARG 512 22.229 11.692 25.045 305 HH12 ARG 512 2HH1 ARG 512 22.288 11.557 26.785 306 HH21 ARG 512 1HH2 ARG 512 20.358 8.713 26.931 307 HH22 ARG 512 2HH2 ARG 512 21.262 9.911 27.817 308 H LYS 513 H LYS 513 16.161 10.096 23.700 309 HA LYS 513 HA LYS 513 13.637 10.799 22.708 310 HB2 LYS 513 1HB LYS 513 14.063 10.389 25.063 311 HB3 LYS 513 2HB LYS 513 15.122 11.806 25.169 312 HG2 LYS 513 1HG LYS 513 13.171 13.301 24.751 313 HG3 LYS 513 2HG LYS 513 12.131 11.885 24.579 314 HD2 LYS 513 1HD LYS 513 11.787 12.817 26.746 315 HD3 LYS 513 2HD LYS 513 12.615 11.264 26.943 316 HE2 LYS 513 1HE LYS 513 14.778 12.457 27.235 317 HE3 LYS 513 2HE LYS 513 13.965 14.008 26.973 318 HZ1 LYS 513 3HZ LYS 513 12.659 13.595 28.986 319 HZ2 LYS 513 1HZ LYS 513 14.249 13.520 29.348 320 HZ3 LYS 513 2HZ LYS 513 13.379 12.146 29.218 321 H TRP 514 H TRP 514 16.409 12.956 23.163 322 HA TRP 514 HA TRP 514 14.999 15.311 22.115 323 HB2 TRP 514 1HB TRP 514 17.895 14.831 22.887 324 HB3 TRP 514 2HB TRP 514 17.232 16.358 22.338 325 HD1 TRP 514 HD1 TRP 514 17.170 14.001 25.343 326 HE1 TRP 514 HE1 TRP 514 16.273 15.242 27.405 327 HE3 TRP 514 HE3 TRP 514 15.781 18.395 23.111 328 HZ2 TRP 514 HZ2 TRP 514 14.982 17.759 27.984 329 HZ3 TRP 514 HZ3 TRP 514 14.740 20.213 24.447 330 HH2 TRP 514 HH2 TRP 514 14.319 19.900 26.876 331 H TRP 515 H TRP 515 14.348 14.859 20.043 332 HA TRP 515 HA TRP 515 16.119 13.771 17.977 333 HB2 TRP 515 1HB TRP 515 13.388 15.094 17.937 334 HB3 TRP 515 2HB TRP 515 14.264 14.695 16.468 335 HD1 TRP 515 HD1 TRP 515 14.496 12.189 19.272 336 HE1 TRP 515 HE1 TRP 515 13.300 10.030 18.646 337 HE3 TRP 515 HE3 TRP 515 12.086 13.837 15.070 338 HZ2 TRP 515 HZ2 TRP 515 11.450 9.138 16.610 339 HZ3 TRP 515 HZ3 TRP 515 10.603 12.291 13.801 340 HH2 TRP 515 HH2 TRP 515 10.280 9.952 14.556 341 H LYS 516 H LYS 516 17.192 14.860 16.394 342 HA LYS 516 HA LYS 516 17.639 17.793 16.828 343 HB2 LYS 516 1HB LYS 516 19.601 16.089 16.824 344 HB3 LYS 516 2HB LYS 516 19.349 15.998 15.075 345 HG2 LYS 516 1HG LYS 516 19.686 18.467 14.912 346 HG3 LYS 516 2HG LYS 516 19.782 18.566 16.665 347 HD2 LYS 516 1HD LYS 516 21.968 18.759 15.975 348 HD3 LYS 516 2HD LYS 516 21.870 17.113 16.572 349 HE2 LYS 516 1HE LYS 516 21.581 17.768 13.606 350 HE3 LYS 516 2HE LYS 516 23.161 17.705 14.370 351 HZ1 LYS 516 3HZ LYS 516 22.728 15.410 15.036 352 HZ2 LYS 516 1HZ LYS 516 22.667 15.579 13.416 353 HZ3 LYS 516 2HZ LYS 516 21.277 15.415 14.265 354 H VAL 517 H VAL 517 16.836 19.187 15.418 355 HA VAL 517 HA VAL 517 15.988 18.263 12.710 356 HB VAL 517 HB VAL 517 13.914 19.447 12.841 357 HG11 VAL 517 1HG1 VAL 517 13.981 17.052 13.562 358 HG12 VAL 517 2HG1 VAL 517 14.063 17.594 15.248 359 HG13 VAL 517 3HG1 VAL 517 12.646 17.977 14.250 360 HG21 VAL 517 3HG2 VAL 517 14.580 20.026 15.761 361 HG22 VAL 517 1HG2 VAL 517 14.362 21.221 14.459 362 HG23 VAL 517 2HG2 VAL 517 12.992 20.246 15.011 363 H ARG 518 H ARG 518 15.860 19.818 11.102 364 HA ARG 518 HA ARG 518 17.422 22.337 11.588 365 HB2 ARG 518 1HB ARG 518 18.428 20.863 9.972 366 HB3 ARG 518 2HB ARG 518 16.939 20.752 9.033 367 HG2 ARG 518 1HG ARG 518 17.187 22.918 8.174 368 HG3 ARG 518 2HG ARG 518 18.185 23.464 9.522 369 HD2 ARG 518 1HD ARG 518 19.516 23.207 7.448 370 HD3 ARG 518 2HD ARG 518 20.090 22.210 8.777 371 HE ARG 518 HE ARG 518 19.625 20.294 7.588 372 HH11 ARG 518 1HH1 ARG 518 18.021 22.911 5.886 373 HH12 ARG 518 2HH1 ARG 518 17.585 21.882 4.545 374 HH21 ARG 518 1HH2 ARG 518 19.025 19.048 5.866 375 HH22 ARG 518 2HH2 ARG 518 18.145 19.756 4.539 376 H ASP 519 H ASP 519 16.301 24.038 11.815 377 HA ASP 519 HA ASP 519 13.529 24.414 11.018 378 HB2 ASP 519 1HB ASP 519 13.928 26.697 12.011 379 HB3 ASP 519 2HB ASP 519 14.298 25.356 13.082 380 HA PRO 520 HA PRO 520 14.093 26.310 7.093 381 HB2 PRO 520 1HB PRO 520 12.131 28.234 6.960 382 HB3 PRO 520 2HB PRO 520 11.826 26.473 6.948 383 HG2 PRO 520 1HG PRO 520 11.728 28.346 9.331 384 HG3 PRO 520 2HG PRO 520 10.486 27.159 8.804 385 HD2 PRO 520 1HD PRO 520 12.255 26.535 10.728 386 HD3 PRO 520 2HD PRO 520 11.821 25.326 9.492 387 H ALA 521 H ALA 521 14.792 28.272 9.857 388 HA ALA 521 HA ALA 521 15.720 30.614 8.340 389 HB1 ALA 521 1HB ALA 521 16.317 29.842 11.227 390 HB2 ALA 521 2HB ALA 521 16.558 31.412 10.466 391 HB3 ALA 521 3HB ALA 521 14.908 30.798 10.699 392 H GLY 522 H GLY 522 16.975 27.483 9.168 393 HA2 GLY 522 1HA GLY 522 18.791 26.560 7.924 394 HA3 GLY 522 2HA GLY 522 19.566 28.142 7.842 395 H GLN 523 H GLN 523 18.301 27.339 10.973 396 HA GLN 523 HA GLN 523 21.052 26.797 12.000 397 HB2 GLN 523 1HB GLN 523 18.615 27.493 13.661 398 HB3 GLN 523 2HB GLN 523 20.309 27.520 14.117 399 HG2 GLN 523 1HG GLN 523 20.481 29.368 12.199 400 HG3 GLN 523 2HG GLN 523 18.741 29.460 12.404 401 HE21 GLN 523 2HE2 GLN 523 18.041 30.926 13.990 402 HE22 GLN 523 1HE2 GLN 523 19.073 31.512 15.288 403 H GLU 524 H GLU 524 20.598 25.415 14.268 404 HA GLU 524 HA GLU 524 18.867 23.070 13.762 405 HB2 GLU 524 1HB GLU 524 21.873 22.909 14.198 406 HB3 GLU 524 2HB GLU 524 20.778 21.557 14.492 407 HG2 GLU 524 1HG GLU 524 20.135 21.506 12.134 408 HG3 GLU 524 2HG GLU 524 21.131 22.928 11.800 409 H GLY 525 H GLY 525 18.326 21.928 15.678 410 HA2 GLY 525 1HA GLY 525 19.614 22.450 18.212 411 HA3 GLY 525 2HA GLY 525 18.049 23.257 18.109 412 H TYR 526 H TYR 526 18.515 21.436 20.032 413 HA TYR 526 HA TYR 526 17.180 18.894 19.283 414 HB2 TYR 526 1HB TYR 526 18.640 19.883 21.758 415 HB3 TYR 526 2HB TYR 526 17.772 18.369 21.701 416 HD1 TYR 526 HD2 TYR 526 18.393 16.662 19.841 417 HD2 TYR 526 HD1 TYR 526 20.929 19.917 21.077 418 HE1 TYR 526 HE2 TYR 526 20.385 15.434 18.985 419 HE2 TYR 526 HE1 TYR 526 22.915 18.722 20.175 420 HH TYR 526 HH TYR 526 23.681 16.823 19.166 421 H VAL 527 H VAL 527 15.227 18.288 19.968 422 HA VAL 527 HA VAL 527 13.751 19.660 22.120 423 HB VAL 527 HB VAL 527 11.665 19.649 20.600 424 HG11 VAL 527 1HG1 VAL 527 12.761 21.698 21.487 425 HG12 VAL 527 2HG1 VAL 527 13.742 21.781 20.011 426 HG13 VAL 527 3HG1 VAL 527 11.979 21.926 19.913 427 HG21 VAL 527 3HG2 VAL 527 12.766 18.481 18.657 428 HG22 VAL 527 1HG2 VAL 527 11.929 19.990 18.242 429 HG23 VAL 527 2HG2 VAL 527 13.698 19.956 18.358 430 HA PRO 528 HA PRO 528 12.570 15.486 22.879 431 HB2 PRO 528 1HB PRO 528 10.104 15.717 24.127 432 HB3 PRO 528 2HB PRO 528 11.677 16.095 24.891 433 HG2 PRO 528 1HG PRO 528 9.685 18.007 23.654 434 HG3 PRO 528 2HG PRO 528 10.604 18.181 25.175 435 HD2 PRO 528 1HD PRO 528 11.364 19.386 22.844 436 HD3 PRO 528 2HD PRO 528 12.550 18.800 24.043 437 H TYR 529 H TYR 529 11.718 13.817 21.675 438 HA TYR 529 HA TYR 529 10.105 14.265 19.402 439 HB2 TYR 529 1HB TYR 529 10.191 12.012 19.005 440 HB3 TYR 529 2HB TYR 529 11.629 12.276 19.967 441 HD1 TYR 529 HD1 TYR 529 11.611 11.615 22.420 442 HD2 TYR 529 HD2 TYR 529 8.446 10.518 19.718 443 HE1 TYR 529 HE1 TYR 529 10.898 9.828 24.001 444 HE2 TYR 529 HE2 TYR 529 7.714 8.737 21.304 445 HH TYR 529 HH TYR 529 9.417 8.145 24.396 446 H ASN 530 H ASN 530 9.042 13.899 22.698 447 HA ASN 530 HA ASN 530 6.481 12.793 22.278 448 HB2 ASN 530 1HB ASN 530 7.861 13.086 24.434 449 HB3 ASN 530 2HB ASN 530 7.232 14.735 24.501 450 HD21 ASN 530 2HD2 ASN 530 6.330 11.274 24.508 451 HD22 ASN 530 1HD2 ASN 530 4.797 11.522 25.330 452 H ILE 531 H ILE 531 7.525 16.092 21.715 453 HA ILE 531 HA ILE 531 4.713 17.010 21.270 454 HB ILE 531 HB ILE 531 5.633 19.256 21.107 455 HG12 ILE 531 1HG1 ILE 531 8.337 18.083 21.824 456 HG13 ILE 531 2HG1 ILE 531 7.898 18.636 20.207 457 HG21 ILE 531 1HG2 ILE 531 4.918 18.248 23.298 458 HG22 ILE 531 2HG2 ILE 531 6.621 17.875 23.642 459 HG23 ILE 531 3HG2 ILE 531 6.086 19.560 23.467 460 HD11 ILE 531 3HD1 ILE 531 9.187 20.348 21.283 461 HD12 ILE 531 1HD1 ILE 531 7.514 20.923 21.135 462 HD13 ILE 531 2HD1 ILE 531 8.133 20.341 22.705 463 H LEU 532 H LEU 532 7.261 15.714 19.504 464 HA LEU 532 HA LEU 532 6.569 17.026 16.928 465 HB2 LEU 532 1HB LEU 532 8.634 14.887 17.617 466 HB3 LEU 532 2HB LEU 532 8.417 15.625 16.040 467 HG LEU 532 HG LEU 532 9.342 17.100 18.549 468 HD11 LEU 532 1HD1 LEU 532 11.502 17.211 17.309 469 HD12 LEU 532 2HD1 LEU 532 10.831 16.145 16.066 470 HD13 LEU 532 3HD1 LEU 532 11.037 15.557 17.729 471 HD21 LEU 532 3HD2 LEU 532 8.146 18.612 17.047 472 HD22 LEU 532 1HD2 LEU 532 9.100 18.041 15.657 473 HD23 LEU 532 2HD2 LEU 532 9.877 18.939 16.980 474 H THR 533 H THR 533 5.912 15.773 15.151 475 HA THR 533 HA THR 533 5.130 12.965 15.452 476 HB THR 533 HB THR 533 2.814 13.685 14.335 477 HG1 THR 533 HG1 THR 533 3.487 16.015 14.735 478 HG21 THR 533 3HG2 THR 533 3.111 13.935 17.351 479 HG22 THR 533 1HG2 THR 533 3.080 12.387 16.472 480 HG23 THR 533 2HG2 THR 533 1.674 13.465 16.432 481 HA PRO 534 HA PRO 534 6.396 13.093 11.209 482 HB2 PRO 534 1HB PRO 534 4.921 11.098 10.014 483 HB3 PRO 534 2HB PRO 534 6.279 10.797 11.138 484 HG2 PRO 534 1HG PRO 534 3.315 10.852 11.779 485 HG3 PRO 534 2HG PRO 534 4.522 9.606 12.233 486 HD2 PRO 534 1HD PRO 534 3.790 11.557 13.961 487 HD3 PRO 534 2HD PRO 534 5.493 11.018 13.870 488 H TYR 535 H TYR 535 5.720 13.710 9.065 489 HA TYR 535 HA TYR 535 3.011 14.945 8.907 490 HB2 TYR 535 1HB TYR 535 4.861 16.566 9.230 491 HB3 TYR 535 2HB TYR 535 5.565 16.031 7.720 492 HD1 TYR 535 HD2 TYR 535 1.910 16.702 8.536 493 HD2 TYR 535 HD1 TYR 535 5.429 17.936 6.346 494 HE1 TYR 535 HE2 TYR 535 0.561 18.373 7.303 495 HE2 TYR 535 HE1 TYR 535 4.072 19.635 5.140 496 HH TYR 535 HH TYR 535 1.997 20.550 4.858 497 HA PRO 536 HA PRO 536 3.423 11.805 5.508 498 HB2 PRO 536 1HB PRO 536 1.020 10.549 5.853 499 HB3 PRO 536 2HB PRO 536 2.483 10.150 6.799 500 HG2 PRO 536 1HG PRO 536 0.176 11.942 7.612 501 HG3 PRO 536 2HG PRO 536 0.972 10.650 8.565 502 HD2 PRO 536 1HD PRO 536 1.617 13.302 8.851 503 HD3 PRO 536 2HD PRO 536 2.829 11.998 9.023 504 H ALA 537 H ALA 537 3.167 12.839 3.648 505 HA ALA 537 HA ALA 537 0.525 13.757 2.728 506 HB1 ALA 537 1HB ALA 537 1.486 15.760 3.834 507 HB2 ALA 537 2HB ALA 537 2.964 15.600 2.860 508 HB3 ALA 537 3HB ALA 537 1.414 15.982 2.077 509 H ALA 538 H ALA 538 0.399 13.956 0.459 510 HA ALA 538 HA ALA 538 0.587 12.995 -1.572 511 HB1 ALA 538 1HB ALA 538 1.995 15.007 -1.765 512 HB2 ALA 538 2HB ALA 538 3.434 14.042 -1.364 513 HB3 ALA 538 3HB ALA 538 2.528 13.718 -2.858 514 H ALA 539 H ALA 539 0.877 11.056 0.454 515 HA ALA 539 HA ALA 539 2.400 8.924 -0.953 516 HB1 ALA 539 1HB ALA 539 3.877 9.812 0.817 517 HB2 ALA 539 2HB ALA 539 2.595 9.575 2.024 518 HB3 ALA 539 3HB ALA 539 3.326 8.173 1.216 519 H SER 540 H SER 540 1.340 7.082 -1.077 520 HA SER 540 HA SER 540 -0.534 5.798 -1.358 521 HB2 SER 540 1HB SER 540 -0.431 5.805 1.676 522 HB3 SER 540 2HB SER 540 -1.297 4.631 0.666 523 HG SER 540 HG SER 540 1.499 5.175 0.557 Start of MODEL 6 1 H1 GLY 473 H GLY 473 13.698 20.558 -14.515 2 HA2 GLY 473 1HA GLY 473 13.791 22.128 -12.088 3 HA3 GLY 473 2HA GLY 473 12.190 21.561 -12.600 4 HA PRO 474 HA PRO 474 14.330 18.080 -10.280 5 HB2 PRO 474 1HB PRO 474 12.696 17.939 -8.092 6 HB3 PRO 474 2HB PRO 474 14.083 19.063 -8.198 7 HG2 PRO 474 1HG PRO 474 11.162 19.658 -8.768 8 HG3 PRO 474 2HG PRO 474 12.298 20.583 -7.735 9 HD2 PRO 474 1HD PRO 474 11.786 21.287 -10.319 10 HD3 PRO 474 2HD PRO 474 13.415 21.479 -9.605 11 H LEU 475 H LEU 475 13.465 15.965 -9.896 12 HA LEU 475 HA LEU 475 11.030 15.310 -11.502 13 HB2 LEU 475 1HB LEU 475 13.596 13.808 -10.851 14 HB3 LEU 475 2HB LEU 475 12.190 12.984 -11.474 15 HG LEU 475 HG LEU 475 13.729 13.338 -13.230 16 HD11 LEU 475 1HD1 LEU 475 11.376 15.209 -13.687 17 HD12 LEU 475 2HD1 LEU 475 11.304 13.432 -13.757 18 HD13 LEU 475 3HD1 LEU 475 12.310 14.327 -14.908 19 HD21 LEU 475 3HD2 LEU 475 14.846 15.411 -12.402 20 HD22 LEU 475 1HD2 LEU 475 13.438 16.344 -12.966 21 HD23 LEU 475 2HD2 LEU 475 14.423 15.442 -14.123 22 H GLY 476 H GLY 476 11.314 16.009 -8.452 23 HA2 GLY 476 1HA GLY 476 9.950 15.512 -6.646 24 HA3 GLY 476 2HA GLY 476 9.256 14.153 -7.532 25 H SER 477 H SER 477 12.721 14.288 -7.188 26 HA SER 477 HA SER 477 12.781 11.742 -5.731 27 HB2 SER 477 1HB SER 477 14.988 13.478 -6.901 28 HB3 SER 477 2HB SER 477 15.230 11.873 -6.183 29 HG SER 477 HG SER 477 13.389 12.332 -8.291 30 H GLY 478 H GLY 478 11.708 13.663 -4.064 31 HA2 GLY 478 1HA GLY 478 13.734 14.773 -2.234 32 HA3 GLY 478 2HA GLY 478 11.987 14.998 -2.163 33 H ALA 479 H ALA 479 14.238 12.207 -1.978 34 HA ALA 479 HA ALA 479 12.675 10.731 -0.050 35 HB1 ALA 479 1HB ALA 479 15.528 10.339 -1.039 36 HB2 ALA 479 2HB ALA 479 14.561 9.160 -0.124 37 HB3 ALA 479 3HB ALA 479 14.055 9.641 -1.754 38 H LEU 480 H LEU 480 12.471 12.568 1.436 39 HA LEU 480 HA LEU 480 14.560 12.637 3.585 40 HB2 LEU 480 1HB LEU 480 12.801 14.890 2.516 41 HB3 LEU 480 2HB LEU 480 13.839 15.022 3.930 42 HG LEU 480 HG LEU 480 14.851 14.509 1.094 43 HD11 LEU 480 1HD1 LEU 480 15.594 16.846 1.159 44 HD12 LEU 480 2HD1 LEU 480 14.832 17.061 2.752 45 HD13 LEU 480 3HD1 LEU 480 13.835 16.732 1.314 46 HD21 LEU 480 3HD2 LEU 480 17.055 15.116 2.033 47 HD22 LEU 480 1HD2 LEU 480 16.414 13.672 2.822 48 HD23 LEU 480 2HD2 LEU 480 16.339 15.239 3.657 49 H LYS 481 H LYS 481 13.619 13.310 5.703 50 HA LYS 481 HA LYS 481 10.764 12.490 6.049 51 HB2 LYS 481 1HB LYS 481 12.521 10.686 6.613 52 HB3 LYS 481 2HB LYS 481 12.904 11.647 8.036 53 HG2 LYS 481 1HG LYS 481 10.063 10.746 7.356 54 HG3 LYS 481 2HG LYS 481 11.201 9.695 8.192 55 HD2 LYS 481 1HD LYS 481 11.352 11.203 10.087 56 HD3 LYS 481 2HD LYS 481 10.384 12.423 9.259 57 HE2 LYS 481 1HE LYS 481 8.958 11.336 10.832 58 HE3 LYS 481 2HE LYS 481 8.446 10.864 9.209 59 HZ1 LYS 481 3HZ LYS 481 10.122 9.191 11.022 60 HZ2 LYS 481 1HZ LYS 481 9.616 8.741 9.530 61 HZ3 LYS 481 2HZ LYS 481 8.534 8.957 10.730 62 H TRP 482 H TRP 482 9.647 14.040 6.846 63 HA TRP 482 HA TRP 482 10.941 16.176 8.494 64 HB2 TRP 482 1HB TRP 482 8.509 16.235 6.692 65 HB3 TRP 482 2HB TRP 482 8.968 17.537 7.775 66 HD1 TRP 482 HD1 TRP 482 10.480 15.620 4.771 67 HE1 TRP 482 HE1 TRP 482 11.941 17.222 3.395 68 HE3 TRP 482 HE3 TRP 482 10.056 19.805 7.682 69 HZ2 TRP 482 HZ2 TRP 482 12.837 19.959 3.557 70 HZ3 TRP 482 HZ3 TRP 482 11.196 21.915 7.033 71 HH2 TRP 482 HH2 TRP 482 12.597 22.002 4.982 72 H VAL 483 H VAL 483 9.780 17.068 10.197 73 HA VAL 483 HA VAL 483 7.572 15.465 11.352 74 HB VAL 483 HB VAL 483 8.524 15.886 13.640 75 HG11 VAL 483 1HG1 VAL 483 9.882 13.894 13.628 76 HG12 VAL 483 2HG1 VAL 483 8.511 13.671 12.537 77 HG13 VAL 483 3HG1 VAL 483 10.126 14.000 11.869 78 HG21 VAL 483 3HG2 VAL 483 10.984 16.030 13.868 79 HG22 VAL 483 1HG2 VAL 483 11.152 16.298 12.126 80 HG23 VAL 483 2HG2 VAL 483 10.331 17.503 13.141 81 H LEU 484 H LEU 484 5.913 16.640 11.623 82 HA LEU 484 HA LEU 484 6.011 19.580 11.665 83 HB2 LEU 484 1HB LEU 484 4.250 18.134 10.479 84 HB3 LEU 484 2HB LEU 484 3.661 17.678 12.071 85 HG LEU 484 HG LEU 484 3.072 20.044 12.530 86 HD11 LEU 484 1HD1 LEU 484 4.722 21.242 11.170 87 HD12 LEU 484 2HD1 LEU 484 3.100 21.705 10.683 88 HD13 LEU 484 3HD1 LEU 484 4.027 20.562 9.684 89 HD21 LEU 484 3HD2 LEU 484 2.029 19.071 9.836 90 HD22 LEU 484 1HD2 LEU 484 1.224 20.220 10.926 91 HD23 LEU 484 2HD2 LEU 484 1.436 18.533 11.424 92 H CYS 485 H CYS 485 5.575 20.816 13.552 93 HA CYS 485 HA CYS 485 5.902 19.486 16.152 94 HB2 CYS 485 1HB CYS 485 6.679 21.860 15.401 95 HB3 CYS 485 2HB CYS 485 4.985 22.311 15.611 96 HG CYS 485 HG CYS 485 7.097 20.936 17.784 97 H ASN 486 H ASN 486 4.268 19.406 17.802 98 HA ASN 486 HA ASN 486 1.420 19.795 16.921 99 HB2 ASN 486 1HB ASN 486 2.783 17.439 18.118 100 HB3 ASN 486 2HB ASN 486 1.353 17.950 18.993 101 HD21 ASN 486 2HD2 ASN 486 -0.058 16.305 18.465 102 HD22 ASN 486 1HD2 ASN 486 -0.561 15.998 16.809 103 H TYR 487 H TYR 487 3.810 20.686 19.263 104 HA TYR 487 HA TYR 487 1.853 22.388 20.688 105 HB2 TYR 487 1HB TYR 487 3.709 20.431 22.112 106 HB3 TYR 487 2HB TYR 487 2.694 21.636 22.883 107 HD1 TYR 487 HD2 TYR 487 0.203 21.361 22.939 108 HD2 TYR 487 HD1 TYR 487 2.807 18.315 21.346 109 HE1 TYR 487 HE2 TYR 487 -1.654 19.696 23.067 110 HE2 TYR 487 HE1 TYR 487 0.961 16.652 21.480 111 HH TYR 487 HH TYR 487 -1.228 16.299 22.025 112 H ASP 488 H ASP 488 2.766 24.373 21.040 113 HA ASP 488 HA ASP 488 5.385 25.105 20.242 114 HB2 ASP 488 1HB ASP 488 3.844 26.839 20.370 115 HB3 ASP 488 2HB ASP 488 3.258 26.353 21.950 116 H PHE 489 H PHE 489 7.268 25.385 21.197 117 HA PHE 489 HA PHE 489 7.756 24.751 24.048 118 HB2 PHE 489 1HB PHE 489 7.923 22.601 22.824 119 HB3 PHE 489 2HB PHE 489 9.128 23.304 21.749 120 HD1 PHE 489 HD1 PHE 489 8.454 22.134 25.213 121 HD2 PHE 489 HD2 PHE 489 11.438 23.625 22.474 122 HE1 PHE 489 HE1 PHE 489 10.248 21.492 26.811 123 HE2 PHE 489 HE2 PHE 489 13.226 22.950 24.065 124 HZ PHE 489 HZ PHE 489 12.637 21.929 26.242 125 H GLN 490 H GLN 490 8.435 26.798 24.467 126 HA GLN 490 HA GLN 490 10.372 28.239 22.811 127 HB2 GLN 490 1HB GLN 490 8.599 29.293 24.299 128 HB3 GLN 490 2HB GLN 490 9.556 28.776 25.696 129 HG2 GLN 490 1HG GLN 490 11.489 30.133 24.811 130 HG3 GLN 490 2HG GLN 490 10.482 30.623 23.445 131 HE21 GLN 490 2HE2 GLN 490 11.057 32.856 24.271 132 HE22 GLN 490 1HE2 GLN 490 10.057 33.513 25.563 133 H ALA 491 H ALA 491 12.624 28.245 23.049 134 HA ALA 491 HA ALA 491 13.864 26.834 25.375 135 HB1 ALA 491 1HB ALA 491 14.636 25.933 22.623 136 HB2 ALA 491 2HB ALA 491 14.722 25.138 24.218 137 HB3 ALA 491 3HB ALA 491 13.178 25.292 23.387 138 H ARG 492 H ARG 492 14.995 27.947 22.168 139 HA ARG 492 HA ARG 492 16.832 29.089 21.469 140 HB2 ARG 492 1HB ARG 492 15.726 31.084 23.486 141 HB3 ARG 492 2HB ARG 492 16.895 31.452 22.214 142 HG2 ARG 492 1HG ARG 492 15.207 30.605 20.514 143 HG3 ARG 492 2HG ARG 492 14.030 30.529 21.833 144 HD2 ARG 492 1HD ARG 492 13.754 32.617 20.594 145 HD3 ARG 492 2HD ARG 492 14.284 32.941 22.241 146 HE ARG 492 HE ARG 492 16.248 33.862 21.449 147 HH11 ARG 492 1HH1 ARG 492 14.819 32.161 18.728 148 HH12 ARG 492 2HH1 ARG 492 16.060 32.715 17.629 149 HH21 ARG 492 1HH2 ARG 492 17.796 34.492 20.009 150 HH22 ARG 492 2HH2 ARG 492 17.696 33.999 18.341 151 H ASN 493 H ASN 493 17.530 27.248 23.607 152 HA ASN 493 HA ASN 493 19.633 28.540 25.161 153 HB2 ASN 493 1HB ASN 493 18.103 26.596 25.874 154 HB3 ASN 493 2HB ASN 493 19.098 25.561 24.847 155 HD21 ASN 493 2HD2 ASN 493 19.072 24.586 27.164 156 HD22 ASN 493 1HD2 ASN 493 20.480 25.038 28.144 157 H SER 494 H SER 494 21.860 27.289 25.169 158 HA SER 494 HA SER 494 23.274 27.637 22.728 159 HB2 SER 494 1HB SER 494 24.161 27.617 25.099 160 HB3 SER 494 2HB SER 494 24.036 25.852 25.069 161 HG SER 494 HG SER 494 25.638 27.540 23.425 162 H SER 495 H SER 495 21.462 24.859 23.854 163 HA SER 495 HA SER 495 22.052 23.379 21.336 164 HB2 SER 495 1HB SER 495 21.985 21.254 22.715 165 HB3 SER 495 2HB SER 495 23.401 22.263 22.913 166 HG SER 495 HG SER 495 22.551 21.541 24.923 167 H GLU 496 H GLU 496 19.691 25.080 22.235 168 HA GLU 496 HA GLU 496 17.620 23.083 21.497 169 HB2 GLU 496 1HB GLU 496 17.162 25.024 23.778 170 HB3 GLU 496 2HB GLU 496 16.033 23.849 23.100 171 HG2 GLU 496 1HG GLU 496 17.217 21.995 23.997 172 HG3 GLU 496 2HG GLU 496 18.585 23.007 24.487 173 H LEU 497 H LEU 497 15.692 24.053 20.610 174 HA LEU 497 HA LEU 497 15.984 26.875 19.667 175 HB2 LEU 497 1HB LEU 497 16.836 25.260 17.933 176 HB3 LEU 497 2HB LEU 497 15.292 24.427 17.976 177 HG LEU 497 HG LEU 497 14.403 26.959 17.451 178 HD11 LEU 497 1HD1 LEU 497 17.126 26.847 16.106 179 HD12 LEU 497 2HD1 LEU 497 16.691 27.916 17.461 180 HD13 LEU 497 3HD1 LEU 497 15.880 28.091 15.895 181 HD21 LEU 497 3HD2 LEU 497 15.463 25.001 15.410 182 HD22 LEU 497 1HD2 LEU 497 14.326 26.336 15.096 183 HD23 LEU 497 2HD2 LEU 497 13.847 24.999 16.148 184 H SER 498 H SER 498 14.159 28.037 19.763 185 HA SER 498 HA SER 498 11.726 26.987 20.914 186 HB2 SER 498 1HB SER 498 10.783 29.223 20.157 187 HB3 SER 498 2HB SER 498 12.150 29.303 21.268 188 HG SER 498 HG SER 498 12.304 29.576 18.440 189 H VAL 499 H VAL 499 10.134 25.933 19.946 190 HA VAL 499 HA VAL 499 9.672 26.280 17.007 191 HB VAL 499 HB VAL 499 8.930 23.973 16.826 192 HG11 VAL 499 1HG1 VAL 499 11.817 24.148 17.774 193 HG12 VAL 499 2HG1 VAL 499 11.119 22.919 16.700 194 HG13 VAL 499 3HG1 VAL 499 11.225 24.602 16.161 195 HG21 VAL 499 3HG2 VAL 499 9.571 22.267 18.487 196 HG22 VAL 499 1HG2 VAL 499 10.139 23.538 19.590 197 HG23 VAL 499 2HG2 VAL 499 8.417 23.412 19.177 198 H LYS 500 H LYS 500 7.584 26.157 16.309 199 HA LYS 500 HA LYS 500 5.489 26.799 18.371 200 HB2 LYS 500 1HB LYS 500 5.699 27.591 15.417 201 HB3 LYS 500 2HB LYS 500 4.444 28.122 16.532 202 HG2 LYS 500 1HG LYS 500 7.402 28.757 16.885 203 HG3 LYS 500 2HG LYS 500 6.266 29.791 16.017 204 HD2 LYS 500 1HD LYS 500 4.981 30.245 17.997 205 HD3 LYS 500 2HD LYS 500 5.782 28.955 18.889 206 HE2 LYS 500 1HE LYS 500 6.685 31.003 19.689 207 HE3 LYS 500 2HE LYS 500 7.940 30.175 18.766 208 HZ1 LYS 500 3HZ LYS 500 7.827 32.548 18.229 209 HZ2 LYS 500 1HZ LYS 500 6.273 32.424 17.750 210 HZ3 LYS 500 2HZ LYS 500 7.458 31.679 16.897 211 H GLN 501 H GLN 501 3.358 26.114 17.900 212 HA GLN 501 HA GLN 501 3.104 23.364 17.255 213 HB2 GLN 501 1HB GLN 501 1.604 24.518 18.749 214 HB3 GLN 501 2HB GLN 501 1.053 25.609 17.470 215 HG2 GLN 501 1HG GLN 501 -0.086 23.807 16.317 216 HG3 GLN 501 2HG GLN 501 0.609 22.597 17.395 217 HE21 GLN 501 2HE2 GLN 501 -2.061 22.461 17.117 218 HE22 GLN 501 1HE2 GLN 501 -2.879 23.142 18.518 219 H ARG 502 H ARG 502 3.122 26.064 15.081 220 HA ARG 502 HA ARG 502 2.189 24.348 12.811 221 HB2 ARG 502 1HB ARG 502 2.127 27.382 13.098 222 HB3 ARG 502 2HB ARG 502 1.514 26.461 11.724 223 HG2 ARG 502 1HG ARG 502 0.400 26.388 14.565 224 HG3 ARG 502 2HG ARG 502 -0.317 27.187 13.167 225 HD2 ARG 502 1HD ARG 502 -0.592 25.018 12.028 226 HD3 ARG 502 2HD ARG 502 0.142 24.183 13.410 227 HE ARG 502 HE ARG 502 -2.021 25.684 14.423 228 HH11 ARG 502 1HH1 ARG 502 -1.594 22.946 12.269 229 HH12 ARG 502 2HH1 ARG 502 -3.139 22.255 12.692 230 HH21 ARG 502 1HH2 ARG 502 -3.972 24.733 14.930 231 HH22 ARG 502 2HH2 ARG 502 -4.443 23.243 14.158 232 H ASP 503 H ASP 503 4.996 24.789 14.036 233 HA ASP 503 HA ASP 503 6.465 25.647 11.602 234 HB2 ASP 503 1HB ASP 503 7.114 26.333 13.962 235 HB3 ASP 503 2HB ASP 503 7.559 24.650 14.257 236 H VAL 504 H VAL 504 7.742 24.250 10.382 237 HA VAL 504 HA VAL 504 7.465 21.314 10.830 238 HB VAL 504 HB VAL 504 5.837 22.054 9.156 239 HG11 VAL 504 1HG1 VAL 504 6.456 22.760 6.926 240 HG12 VAL 504 2HG1 VAL 504 7.027 23.949 8.107 241 HG13 VAL 504 3HG1 VAL 504 8.171 22.810 7.361 242 HG21 VAL 504 3HG2 VAL 504 6.174 20.283 7.666 243 HG22 VAL 504 1HG2 VAL 504 7.935 20.418 7.724 244 HG23 VAL 504 2HG2 VAL 504 7.043 19.773 9.122 245 H LEU 505 H LEU 505 9.275 20.176 10.699 246 HA LEU 505 HA LEU 505 11.781 21.511 9.772 247 HB2 LEU 505 1HB LEU 505 11.482 20.108 12.456 248 HB3 LEU 505 2HB LEU 505 12.850 21.005 11.819 249 HG LEU 505 HG LEU 505 11.093 23.041 11.819 250 HD11 LEU 505 1HD1 LEU 505 10.166 21.270 14.143 251 HD12 LEU 505 2HD1 LEU 505 9.179 21.676 12.736 252 HD13 LEU 505 3HD1 LEU 505 9.677 22.950 13.852 253 HD21 LEU 505 3HD2 LEU 505 12.007 23.767 13.903 254 HD22 LEU 505 1HD2 LEU 505 13.278 22.874 13.057 255 HD23 LEU 505 2HD2 LEU 505 12.398 22.112 14.395 256 H GLU 506 H GLU 506 13.608 20.051 9.555 257 HA GLU 506 HA GLU 506 12.709 17.346 8.638 258 HB2 GLU 506 1HB GLU 506 13.675 19.143 7.081 259 HB3 GLU 506 2HB GLU 506 15.237 18.779 7.778 260 HG2 GLU 506 1HG GLU 506 13.398 16.657 6.559 261 HG3 GLU 506 2HG GLU 506 14.451 17.644 5.563 262 H VAL 507 H VAL 507 13.429 15.528 9.670 263 HA VAL 507 HA VAL 507 14.991 16.002 12.103 264 HB VAL 507 HB VAL 507 13.079 14.679 12.412 265 HG11 VAL 507 1HG1 VAL 507 12.868 12.351 11.537 266 HG12 VAL 507 2HG1 VAL 507 12.614 13.616 10.340 267 HG13 VAL 507 3HG1 VAL 507 14.151 12.712 10.363 268 HG21 VAL 507 3HG2 VAL 507 13.994 12.776 13.573 269 HG22 VAL 507 1HG2 VAL 507 15.498 12.856 12.650 270 HG23 VAL 507 2HG2 VAL 507 15.067 14.159 13.786 271 H LEU 508 H LEU 508 16.948 15.607 12.526 272 HA LEU 508 HA LEU 508 18.770 14.565 10.400 273 HB2 LEU 508 1HB LEU 508 19.211 16.332 12.842 274 HB3 LEU 508 2HB LEU 508 20.466 15.864 11.699 275 HG LEU 508 HG LEU 508 18.012 17.521 10.937 276 HD11 LEU 508 1HD1 LEU 508 20.808 18.281 11.830 277 HD12 LEU 508 2HD1 LEU 508 19.228 18.838 12.461 278 HD13 LEU 508 3HD1 LEU 508 19.800 19.357 10.866 279 HD21 LEU 508 3HD2 LEU 508 20.631 16.986 9.465 280 HD22 LEU 508 1HD2 LEU 508 19.329 18.077 8.936 281 HD23 LEU 508 2HD2 LEU 508 19.031 16.342 9.021 282 H ASP 509 H ASP 509 17.852 14.133 13.798 283 HA ASP 509 HA ASP 509 19.102 11.490 13.855 284 HB2 ASP 509 1HB ASP 509 20.936 13.039 14.573 285 HB3 ASP 509 2HB ASP 509 19.902 13.629 15.873 286 H ASP 510 H ASP 510 17.884 10.150 14.983 287 HA ASP 510 HA ASP 510 15.783 11.106 16.875 288 HB2 ASP 510 1HB ASP 510 14.198 9.561 15.768 289 HB3 ASP 510 2HB ASP 510 14.735 10.869 14.731 290 H SER 511 H SER 511 18.501 9.498 16.905 291 HA SER 511 HA SER 511 17.942 6.881 17.904 292 HB2 SER 511 1HB SER 511 20.076 7.768 16.890 293 HB3 SER 511 2HB SER 511 20.394 8.607 18.419 294 HG SER 511 HG SER 511 21.405 6.535 18.246 295 H ARG 512 H ARG 512 17.648 9.920 19.505 296 HA ARG 512 HA ARG 512 17.329 8.622 22.190 297 HB2 ARG 512 1HB ARG 512 18.617 11.331 21.575 298 HB3 ARG 512 2HB ARG 512 18.238 10.724 23.188 299 HG2 ARG 512 1HG ARG 512 19.759 8.756 22.739 300 HG3 ARG 512 2HG ARG 512 20.277 9.568 21.247 301 HD2 ARG 512 1HD ARG 512 21.024 11.527 22.553 302 HD3 ARG 512 2HD ARG 512 20.441 10.761 24.045 303 HE ARG 512 HE ARG 512 22.389 9.150 22.561 304 HH11 ARG 512 1HH1 ARG 512 22.131 11.654 25.017 305 HH12 ARG 512 2HH1 ARG 512 23.680 11.247 25.711 306 HH21 ARG 512 1HH2 ARG 512 24.349 8.703 23.495 307 HH22 ARG 512 2HH2 ARG 512 24.898 9.631 24.865 308 H LYS 513 H LYS 513 16.097 10.084 23.717 309 HA LYS 513 HA LYS 513 13.456 10.569 22.758 310 HB2 LYS 513 1HB LYS 513 14.786 11.778 25.225 311 HB3 LYS 513 2HB LYS 513 13.051 11.668 24.914 312 HG2 LYS 513 1HG LYS 513 13.257 9.156 24.911 313 HG3 LYS 513 2HG LYS 513 14.961 9.341 25.374 314 HD2 LYS 513 1HD LYS 513 14.167 10.707 27.386 315 HD3 LYS 513 2HD LYS 513 12.514 10.287 26.924 316 HE2 LYS 513 1HE LYS 513 13.071 8.736 28.599 317 HE3 LYS 513 2HE LYS 513 13.195 7.830 27.087 318 HZ1 LYS 513 3HZ LYS 513 15.494 9.018 28.567 319 HZ2 LYS 513 1HZ LYS 513 15.620 8.130 27.196 320 HZ3 LYS 513 2HZ LYS 513 15.094 7.437 28.577 321 H TRP 514 H TRP 514 16.161 12.795 23.112 322 HA TRP 514 HA TRP 514 14.591 15.124 22.191 323 HB2 TRP 514 1HB TRP 514 17.494 14.797 23.014 324 HB3 TRP 514 2HB TRP 514 16.766 16.295 22.456 325 HD1 TRP 514 HD1 TRP 514 16.588 13.848 25.416 326 HE1 TRP 514 HE1 TRP 514 15.558 15.028 27.449 327 HE3 TRP 514 HE3 TRP 514 15.408 18.322 23.235 328 HZ2 TRP 514 HZ2 TRP 514 14.312 17.571 28.035 329 HZ3 TRP 514 HZ3 TRP 514 14.308 20.115 24.548 330 HH2 TRP 514 HH2 TRP 514 13.743 19.749 26.945 331 H TRP 515 H TRP 515 14.033 14.842 20.080 332 HA TRP 515 HA TRP 515 15.868 13.690 18.091 333 HB2 TRP 515 1HB TRP 515 13.118 14.958 17.894 334 HB3 TRP 515 2HB TRP 515 14.049 14.453 16.493 335 HD1 TRP 515 HD1 TRP 515 14.133 12.199 19.520 336 HE1 TRP 515 HE1 TRP 515 12.991 9.981 19.017 337 HE3 TRP 515 HE3 TRP 515 12.040 13.412 15.008 338 HZ2 TRP 515 HZ2 TRP 515 11.265 8.893 16.970 339 HZ3 TRP 515 HZ3 TRP 515 10.688 11.722 13.775 340 HH2 TRP 515 HH2 TRP 515 10.278 9.480 14.750 341 H LYS 516 H LYS 516 17.173 14.732 16.775 342 HA LYS 516 HA LYS 516 17.521 17.681 17.027 343 HB2 LYS 516 1HB LYS 516 19.507 16.062 16.985 344 HB3 LYS 516 2HB LYS 516 19.119 15.755 15.287 345 HG2 LYS 516 1HG LYS 516 19.303 18.218 14.834 346 HG3 LYS 516 2HG LYS 516 19.742 18.476 16.529 347 HD2 LYS 516 1HD LYS 516 21.788 17.120 16.207 348 HD3 LYS 516 2HD LYS 516 21.316 16.800 14.517 349 HE2 LYS 516 1HE LYS 516 21.280 19.245 14.075 350 HE3 LYS 516 2HE LYS 516 21.768 19.567 15.742 351 HZ1 LYS 516 3HZ LYS 516 23.592 19.632 14.122 352 HZ2 LYS 516 1HZ LYS 516 23.421 18.035 13.798 353 HZ3 LYS 516 2HZ LYS 516 23.883 18.514 15.301 354 H VAL 517 H VAL 517 16.799 19.074 15.574 355 HA VAL 517 HA VAL 517 15.893 18.154 12.877 356 HB VAL 517 HB VAL 517 13.873 19.515 13.115 357 HG11 VAL 517 1HG1 VAL 517 12.537 17.950 14.445 358 HG12 VAL 517 2HG1 VAL 517 13.675 17.102 13.401 359 HG13 VAL 517 3HG1 VAL 517 14.007 17.253 15.143 360 HG21 VAL 517 3HG2 VAL 517 14.486 19.573 16.106 361 HG22 VAL 517 1HG2 VAL 517 14.492 20.980 15.019 362 HG23 VAL 517 2HG2 VAL 517 12.984 20.106 15.342 363 H ARG 518 H ARG 518 15.689 19.764 11.316 364 HA ARG 518 HA ARG 518 17.155 22.334 11.852 365 HB2 ARG 518 1HB ARG 518 18.455 20.957 10.482 366 HB3 ARG 518 2HB ARG 518 17.119 20.547 9.403 367 HG2 ARG 518 1HG ARG 518 17.205 22.591 8.293 368 HG3 ARG 518 2HG ARG 518 17.890 23.447 9.669 369 HD2 ARG 518 1HD ARG 518 19.533 23.236 7.896 370 HD3 ARG 518 2HD ARG 518 20.059 22.381 9.355 371 HE ARG 518 HE ARG 518 18.755 20.466 7.769 372 HH11 ARG 518 1HH1 ARG 518 21.639 22.437 7.434 373 HH12 ARG 518 2HH1 ARG 518 22.404 21.292 6.361 374 HH21 ARG 518 1HH2 ARG 518 19.794 19.051 6.398 375 HH22 ARG 518 2HH2 ARG 518 21.388 19.428 5.805 376 H ASP 519 H ASP 519 15.969 23.974 11.889 377 HA ASP 519 HA ASP 519 13.239 24.202 10.943 378 HB2 ASP 519 1HB ASP 519 13.547 26.562 11.797 379 HB3 ASP 519 2HB ASP 519 13.920 25.306 12.963 380 HA PRO 520 HA PRO 520 13.914 25.963 6.940 381 HB2 PRO 520 1HB PRO 520 11.891 27.797 6.649 382 HB3 PRO 520 2HB PRO 520 11.645 26.027 6.710 383 HG2 PRO 520 1HG PRO 520 11.394 28.000 9.000 384 HG3 PRO 520 2HG PRO 520 10.209 26.754 8.477 385 HD2 PRO 520 1HD PRO 520 11.920 26.266 10.492 386 HD3 PRO 520 2HD PRO 520 11.566 24.994 9.297 387 H ALA 521 H ALA 521 14.457 28.003 9.673 388 HA ALA 521 HA ALA 521 15.273 30.383 8.159 389 HB1 ALA 521 1HB ALA 521 14.436 30.428 10.571 390 HB2 ALA 521 2HB ALA 521 16.006 29.711 11.036 391 HB3 ALA 521 3HB ALA 521 15.958 31.286 10.255 392 H GLY 522 H GLY 522 16.724 27.372 9.163 393 HA2 GLY 522 1HA GLY 522 18.627 26.544 7.914 394 HA3 GLY 522 2HA GLY 522 19.334 28.159 7.923 395 H GLN 523 H GLN 523 17.949 27.284 10.980 396 HA GLN 523 HA GLN 523 20.680 26.791 12.095 397 HB2 GLN 523 1HB GLN 523 18.208 27.534 13.683 398 HB3 GLN 523 2HB GLN 523 19.883 27.534 14.188 399 HG2 GLN 523 1HG GLN 523 20.085 29.332 12.164 400 HG3 GLN 523 2HG GLN 523 18.376 29.517 12.502 401 HE21 GLN 523 2HE2 GLN 523 17.767 30.689 14.408 402 HE22 GLN 523 1HE2 GLN 523 18.965 31.343 15.520 403 H GLU 524 H GLU 524 20.181 25.455 14.388 404 HA GLU 524 HA GLU 524 18.620 22.996 13.809 405 HB2 GLU 524 1HB GLU 524 21.601 23.093 14.387 406 HB3 GLU 524 2HB GLU 524 20.624 21.637 14.601 407 HG2 GLU 524 1HG GLU 524 20.095 21.568 12.222 408 HG3 GLU 524 2HG GLU 524 20.957 23.085 11.942 409 H GLY 525 H GLY 525 18.018 21.835 15.704 410 HA2 GLY 525 1HA GLY 525 19.133 22.488 18.310 411 HA3 GLY 525 2HA GLY 525 17.504 23.126 18.082 412 H TYR 526 H TYR 526 17.765 21.522 20.077 413 HA TYR 526 HA TYR 526 16.755 18.814 19.315 414 HB2 TYR 526 1HB TYR 526 18.286 19.836 21.737 415 HB3 TYR 526 2HB TYR 526 17.500 18.285 21.688 416 HD1 TYR 526 HD2 TYR 526 18.268 16.482 20.200 417 HD2 TYR 526 HD1 TYR 526 20.455 20.191 20.541 418 HE1 TYR 526 HE2 TYR 526 20.281 15.383 19.248 419 HE2 TYR 526 HE1 TYR 526 22.442 19.107 19.525 420 HH TYR 526 HH TYR 526 22.458 15.648 18.612 421 H VAL 527 H VAL 527 14.830 18.177 20.019 422 HA VAL 527 HA VAL 527 13.361 19.523 22.213 423 HB VAL 527 HB VAL 527 11.294 19.523 20.708 424 HG11 VAL 527 1HG1 VAL 527 11.659 21.760 19.905 425 HG12 VAL 527 2HG1 VAL 527 12.434 21.578 21.488 426 HG13 VAL 527 3HG1 VAL 527 13.417 21.575 20.010 427 HG21 VAL 527 3HG2 VAL 527 13.288 19.671 18.426 428 HG22 VAL 527 1HG2 VAL 527 12.295 18.255 18.815 429 HG23 VAL 527 2HG2 VAL 527 11.519 19.781 18.345 430 HA PRO 528 HA PRO 528 12.252 15.369 23.007 431 HB2 PRO 528 1HB PRO 528 9.822 15.501 24.290 432 HB3 PRO 528 2HB PRO 528 11.362 16.057 25.015 433 HG2 PRO 528 1HG PRO 528 9.204 17.687 23.682 434 HG3 PRO 528 2HG PRO 528 10.100 18.051 25.187 435 HD2 PRO 528 1HD PRO 528 10.724 19.144 22.741 436 HD3 PRO 528 2HD PRO 528 11.945 18.862 23.991 437 H TYR 529 H TYR 529 11.353 13.625 21.926 438 HA TYR 529 HA TYR 529 9.856 13.909 19.576 439 HB2 TYR 529 1HB TYR 529 9.746 11.590 19.493 440 HB3 TYR 529 2HB TYR 529 11.217 11.918 20.384 441 HD1 TYR 529 HD2 TYR 529 11.189 11.667 22.945 442 HD2 TYR 529 HD1 TYR 529 7.966 10.316 20.426 443 HE1 TYR 529 HE2 TYR 529 10.371 10.200 24.788 444 HE2 TYR 529 HE1 TYR 529 7.141 8.849 22.266 445 HH TYR 529 HH TYR 529 7.478 8.129 24.407 446 H ASN 530 H ASN 530 8.620 13.901 22.842 447 HA ASN 530 HA ASN 530 5.933 13.131 22.407 448 HB2 ASN 530 1HB ASN 530 7.198 13.352 24.593 449 HB3 ASN 530 2HB ASN 530 7.024 15.105 24.465 450 HD21 ASN 530 2HD2 ASN 530 5.354 12.057 25.091 451 HD22 ASN 530 1HD2 ASN 530 3.872 12.802 25.674 452 H ILE 531 H ILE 531 7.462 16.325 21.890 453 HA ILE 531 HA ILE 531 4.809 17.522 21.281 454 HB ILE 531 HB ILE 531 5.838 19.665 21.254 455 HG12 ILE 531 1HG1 ILE 531 8.317 19.502 22.435 456 HG13 ILE 531 2HG1 ILE 531 8.415 18.209 21.261 457 HG21 ILE 531 1HG2 ILE 531 6.277 19.839 23.637 458 HG22 ILE 531 2HG2 ILE 531 5.002 18.641 23.370 459 HG23 ILE 531 3HG2 ILE 531 6.656 18.108 23.746 460 HD11 ILE 531 3HD1 ILE 531 7.640 21.075 20.618 461 HD12 ILE 531 1HD1 ILE 531 9.260 20.384 20.438 462 HD13 ILE 531 2HD1 ILE 531 7.923 19.762 19.443 463 H LEU 532 H LEU 532 7.051 15.874 19.589 464 HA LEU 532 HA LEU 532 6.497 17.227 16.979 465 HB2 LEU 532 1HB LEU 532 8.430 15.008 17.770 466 HB3 LEU 532 2HB LEU 532 8.242 15.651 16.144 467 HG LEU 532 HG LEU 532 9.254 17.236 18.552 468 HD11 LEU 532 1HD1 LEU 532 10.606 15.901 16.179 469 HD12 LEU 532 2HD1 LEU 532 10.853 15.596 17.910 470 HD13 LEU 532 3HD1 LEU 532 11.397 17.120 17.181 471 HD21 LEU 532 3HD2 LEU 532 8.131 18.753 17.029 472 HD22 LEU 532 1HD2 LEU 532 8.943 18.012 15.621 473 HD23 LEU 532 2HD2 LEU 532 9.872 18.932 16.823 474 H THR 533 H THR 533 5.836 15.965 15.190 475 HA THR 533 HA THR 533 4.831 13.216 15.589 476 HB THR 533 HB THR 533 2.779 13.918 14.151 477 HG1 THR 533 HG1 THR 533 2.239 16.205 14.985 478 HG21 THR 533 3HG2 THR 533 2.635 13.224 16.529 479 HG22 THR 533 1HG2 THR 533 1.413 14.409 16.060 480 HG23 THR 533 2HG2 THR 533 2.825 14.921 17.019 481 HA PRO 534 HA PRO 534 6.552 12.671 11.525 482 HB2 PRO 534 1HB PRO 534 4.843 10.896 10.292 483 HB3 PRO 534 2HB PRO 534 5.982 10.440 11.595 484 HG2 PRO 534 1HG PRO 534 3.041 11.139 11.857 485 HG3 PRO 534 2HG PRO 534 3.903 9.716 12.529 486 HD2 PRO 534 1HD PRO 534 3.423 11.892 14.045 487 HD3 PRO 534 2HD PRO 534 4.987 11.041 14.172 488 H TYR 535 H TYR 535 6.117 13.018 9.204 489 HA TYR 535 HA TYR 535 3.844 14.891 8.669 490 HB2 TYR 535 1HB TYR 535 6.094 15.944 8.854 491 HB3 TYR 535 2HB TYR 535 6.609 15.003 7.461 492 HD1 TYR 535 HD1 TYR 535 3.743 17.225 8.510 493 HD2 TYR 535 HD2 TYR 535 6.480 16.110 5.368 494 HE1 TYR 535 HE1 TYR 535 2.856 19.066 7.084 495 HE2 TYR 535 HE2 TYR 535 5.590 17.941 3.941 496 HH TYR 535 HH TYR 535 4.110 19.671 3.788 497 HA PRO 536 HA PRO 536 3.447 11.146 5.955 498 HB2 PRO 536 1HB PRO 536 0.790 10.635 6.320 499 HB3 PRO 536 2HB PRO 536 2.058 10.133 7.476 500 HG2 PRO 536 1HG PRO 536 0.286 12.592 7.626 501 HG3 PRO 536 2HG PRO 536 0.640 11.396 8.913 502 HD2 PRO 536 1HD PRO 536 1.983 13.763 8.724 503 HD3 PRO 536 2HD PRO 536 2.786 12.260 9.263 504 H ALA 537 H ALA 537 3.922 12.369 4.163 505 HA ALA 537 HA ALA 537 1.927 14.125 2.904 506 HB1 ALA 537 1HB ALA 537 4.291 14.801 3.163 507 HB2 ALA 537 2HB ALA 537 4.797 13.429 2.148 508 HB3 ALA 537 3HB ALA 537 3.811 14.739 1.459 509 H ALA 538 H ALA 538 1.342 11.235 3.013 510 HA ALA 538 HA ALA 538 1.074 10.600 0.104 511 HB1 ALA 538 1HB ALA 538 2.938 9.299 1.064 512 HB2 ALA 538 2HB ALA 538 1.871 8.697 2.352 513 HB3 ALA 538 3HB ALA 538 1.565 8.248 0.661 514 H ALA 539 H ALA 539 -0.986 10.475 -0.415 515 HA ALA 539 HA ALA 539 -3.226 10.588 -0.286 516 HB1 ALA 539 1HB ALA 539 -2.886 8.069 1.380 517 HB2 ALA 539 2HB ALA 539 -4.318 8.538 0.439 518 HB3 ALA 539 3HB ALA 539 -2.800 8.164 -0.394 519 H SER 540 H SER 540 -2.014 12.274 1.624 520 HA SER 540 HA SER 540 -3.118 12.254 4.235 521 HB2 SER 540 1HB SER 540 -1.159 13.628 3.282 522 HB3 SER 540 2HB SER 540 -2.387 14.751 2.671 523 HG SER 540 HG SER 540 -1.755 14.026 5.342 Start of MODEL 7 1 H1 GLY 473 H GLY 473 2.397 10.338 -15.241 2 HA2 GLY 473 1HA GLY 473 3.877 11.712 -17.138 3 HA3 GLY 473 2HA GLY 473 3.763 12.736 -15.698 4 HA PRO 474 HA PRO 474 7.241 9.680 -15.130 5 HB2 PRO 474 1HB PRO 474 9.232 11.450 -14.494 6 HB3 PRO 474 2HB PRO 474 8.747 11.079 -16.175 7 HG2 PRO 474 1HG PRO 474 7.854 13.418 -14.457 8 HG3 PRO 474 2HG PRO 474 8.483 13.458 -16.135 9 HD2 PRO 474 1HD PRO 474 5.817 13.484 -15.592 10 HD3 PRO 474 2HD PRO 474 6.463 12.598 -17.008 11 H LEU 475 H LEU 475 8.559 9.255 -13.219 12 HA LEU 475 HA LEU 475 7.811 10.382 -10.629 13 HB2 LEU 475 1HB LEU 475 7.106 8.106 -9.765 14 HB3 LEU 475 2HB LEU 475 5.966 9.048 -10.700 15 HG LEU 475 HG LEU 475 6.212 7.648 -12.644 16 HD11 LEU 475 1HD1 LEU 475 8.567 7.085 -12.597 17 HD12 LEU 475 2HD1 LEU 475 7.637 5.580 -12.561 18 HD13 LEU 475 3HD1 LEU 475 8.381 6.211 -11.062 19 HD21 LEU 475 3HD2 LEU 475 5.287 5.602 -11.771 20 HD22 LEU 475 1HD2 LEU 475 4.731 6.941 -10.750 21 HD23 LEU 475 2HD2 LEU 475 6.035 5.878 -10.178 22 H GLY 476 H GLY 476 8.910 9.196 -8.798 23 HA2 GLY 476 1HA GLY 476 10.746 8.160 -7.819 24 HA3 GLY 476 2HA GLY 476 11.309 7.639 -9.404 25 H SER 477 H SER 477 11.323 10.264 -7.048 26 HA SER 477 HA SER 477 13.630 11.598 -8.442 27 HB2 SER 477 1HB SER 477 12.858 13.669 -7.341 28 HB3 SER 477 2HB SER 477 11.673 12.995 -8.473 29 HG SER 477 HG SER 477 10.729 13.655 -6.477 30 H GLY 478 H GLY 478 12.318 10.834 -5.193 31 HA2 GLY 478 1HA GLY 478 14.701 9.928 -4.011 32 HA3 GLY 478 2HA GLY 478 14.640 11.673 -3.728 33 H ALA 479 H ALA 479 14.662 10.652 -1.486 34 HA ALA 479 HA ALA 479 11.873 10.643 -0.440 35 HB1 ALA 479 1HB ALA 479 12.478 8.867 1.162 36 HB2 ALA 479 2HB ALA 479 12.616 8.294 -0.513 37 HB3 ALA 479 3HB ALA 479 14.082 8.716 0.409 38 H LEU 480 H LEU 480 11.658 11.358 1.686 39 HA LEU 480 HA LEU 480 13.861 12.855 2.966 40 HB2 LEU 480 1HB LEU 480 12.347 14.867 3.099 41 HB3 LEU 480 2HB LEU 480 13.134 14.611 1.572 42 HG LEU 480 HG LEU 480 10.338 13.500 1.841 43 HD11 LEU 480 1HD1 LEU 480 10.944 16.479 1.576 44 HD12 LEU 480 2HD1 LEU 480 9.998 15.676 2.854 45 HD13 LEU 480 3HD1 LEU 480 9.376 15.718 1.207 46 HD21 LEU 480 3HD2 LEU 480 10.160 14.228 -0.487 47 HD22 LEU 480 1HD2 LEU 480 11.679 13.339 -0.309 48 HD23 LEU 480 2HD2 LEU 480 11.700 15.112 -0.374 49 H LYS 481 H LYS 481 13.458 13.443 5.102 50 HA LYS 481 HA LYS 481 11.128 12.140 6.481 51 HB2 LYS 481 1HB LYS 481 14.087 11.984 7.158 52 HB3 LYS 481 2HB LYS 481 12.819 11.736 8.364 53 HG2 LYS 481 1HG LYS 481 11.834 9.924 6.997 54 HG3 LYS 481 2HG LYS 481 13.149 10.099 5.816 55 HD2 LYS 481 1HD LYS 481 14.809 9.427 7.469 56 HD3 LYS 481 2HD LYS 481 13.627 9.541 8.775 57 HE2 LYS 481 1HE LYS 481 13.923 7.225 8.332 58 HE3 LYS 481 2HE LYS 481 12.315 7.680 7.768 59 HZ1 LYS 481 3HZ LYS 481 13.473 6.271 6.163 60 HZ2 LYS 481 1HZ LYS 481 14.708 7.327 6.030 61 HZ3 LYS 481 2HZ LYS 481 13.213 7.732 5.490 62 H TRP 482 H TRP 482 9.938 13.583 7.352 63 HA TRP 482 HA TRP 482 11.050 15.952 8.779 64 HB2 TRP 482 1HB TRP 482 8.807 15.982 6.727 65 HB3 TRP 482 2HB TRP 482 9.204 17.313 7.796 66 HD1 TRP 482 HD1 TRP 482 10.966 15.266 5.045 67 HE1 TRP 482 HE1 TRP 482 12.451 16.823 3.642 68 HE3 TRP 482 HE3 TRP 482 10.227 19.662 7.586 69 HZ2 TRP 482 HZ2 TRP 482 13.055 19.599 3.491 70 HZ3 TRP 482 HZ3 TRP 482 11.187 21.774 6.712 71 HH2 TRP 482 HH2 TRP 482 12.596 21.763 4.664 72 H VAL 483 H VAL 483 9.470 16.960 10.163 73 HA VAL 483 HA VAL 483 7.358 15.175 11.259 74 HB VAL 483 HB VAL 483 8.209 15.921 13.567 75 HG11 VAL 483 1HG1 VAL 483 8.320 13.587 12.730 76 HG12 VAL 483 2HG1 VAL 483 9.911 13.927 12.016 77 HG13 VAL 483 3HG1 VAL 483 9.685 14.006 13.778 78 HG21 VAL 483 3HG2 VAL 483 10.906 16.141 12.153 79 HG22 VAL 483 1HG2 VAL 483 9.993 17.533 12.736 80 HG23 VAL 483 2HG2 VAL 483 10.564 16.325 13.879 81 H LEU 484 H LEU 484 5.558 16.329 10.971 82 HA LEU 484 HA LEU 484 5.489 19.244 11.172 83 HB2 LEU 484 1HB LEU 484 3.810 17.849 9.842 84 HB3 LEU 484 2HB LEU 484 3.171 17.278 11.387 85 HG LEU 484 HG LEU 484 2.829 19.788 11.979 86 HD11 LEU 484 1HD1 LEU 484 2.594 21.322 10.059 87 HD12 LEU 484 2HD1 LEU 484 3.210 20.062 8.964 88 HD13 LEU 484 3HD1 LEU 484 4.264 20.773 10.212 89 HD21 LEU 484 3HD2 LEU 484 0.961 18.327 11.407 90 HD22 LEU 484 1HD2 LEU 484 1.261 18.579 9.670 91 HD23 LEU 484 2HD2 LEU 484 0.726 19.931 10.694 92 H CYS 485 H CYS 485 5.555 20.350 13.051 93 HA CYS 485 HA CYS 485 5.634 19.083 15.619 94 HB2 CYS 485 1HB CYS 485 6.487 21.448 14.745 95 HB3 CYS 485 2HB CYS 485 4.869 21.968 15.188 96 HG CYS 485 HG CYS 485 6.563 22.538 17.127 97 H ASN 486 H ASN 486 4.091 19.198 17.367 98 HA ASN 486 HA ASN 486 1.224 19.454 16.523 99 HB2 ASN 486 1HB ASN 486 2.426 17.203 17.311 100 HB3 ASN 486 2HB ASN 486 2.136 17.836 18.900 101 HD21 ASN 486 2HD2 ASN 486 1.010 15.440 17.786 102 HD22 ASN 486 1HD2 ASN 486 -0.732 15.673 17.707 103 H TYR 487 H TYR 487 3.633 20.643 18.747 104 HA TYR 487 HA TYR 487 1.752 22.571 19.954 105 HB2 TYR 487 1HB TYR 487 3.478 20.698 21.638 106 HB3 TYR 487 2HB TYR 487 2.434 21.981 22.233 107 HD1 TYR 487 HD1 TYR 487 -0.090 21.779 21.965 108 HD2 TYR 487 HD2 TYR 487 2.591 18.505 21.107 109 HE1 TYR 487 HE1 TYR 487 -2.015 20.191 21.968 110 HE2 TYR 487 HE2 TYR 487 0.679 16.923 21.135 111 HH TYR 487 HH TYR 487 -1.584 16.696 21.338 112 H ASP 488 H ASP 488 2.803 24.519 20.406 113 HA ASP 488 HA ASP 488 5.509 24.929 19.495 114 HB2 ASP 488 1HB ASP 488 5.253 27.166 20.141 115 HB3 ASP 488 2HB ASP 488 3.674 26.669 19.554 116 H PHE 489 H PHE 489 7.349 25.614 20.726 117 HA PHE 489 HA PHE 489 7.465 25.082 23.621 118 HB2 PHE 489 1HB PHE 489 7.752 22.854 22.745 119 HB3 PHE 489 2HB PHE 489 8.939 23.400 21.571 120 HD1 PHE 489 HD1 PHE 489 8.352 22.994 25.250 121 HD2 PHE 489 HD2 PHE 489 11.266 23.380 22.093 122 HE1 PHE 489 HE1 PHE 489 10.157 22.331 26.826 123 HE2 PHE 489 HE2 PHE 489 13.048 22.635 23.649 124 HZ PHE 489 HZ PHE 489 12.505 22.142 26.022 125 H GLN 490 H GLN 490 8.769 26.534 24.513 126 HA GLN 490 HA GLN 490 10.543 28.192 22.830 127 HB2 GLN 490 1HB GLN 490 8.934 29.100 24.594 128 HB3 GLN 490 2HB GLN 490 10.021 28.412 25.813 129 HG2 GLN 490 1HG GLN 490 11.903 29.756 24.608 130 HG3 GLN 490 2HG GLN 490 10.605 30.596 23.761 131 HE21 GLN 490 2HE2 GLN 490 12.696 31.424 25.903 132 HE22 GLN 490 1HE2 GLN 490 11.712 32.222 27.124 133 H ALA 491 H ALA 491 12.676 27.874 22.699 134 HA ALA 491 HA ALA 491 14.250 26.569 24.827 135 HB1 ALA 491 1HB ALA 491 14.326 24.577 23.879 136 HB2 ALA 491 2HB ALA 491 13.288 25.096 22.531 137 HB3 ALA 491 3HB ALA 491 15.040 25.290 22.434 138 H ARG 492 H ARG 492 15.994 27.820 25.060 139 HA ARG 492 HA ARG 492 17.553 28.828 22.750 140 HB2 ARG 492 1HB ARG 492 16.294 30.659 24.855 141 HB3 ARG 492 2HB ARG 492 17.713 31.118 23.913 142 HG2 ARG 492 1HG ARG 492 16.313 30.499 21.823 143 HG3 ARG 492 2HG ARG 492 14.910 30.647 22.893 144 HD2 ARG 492 1HD ARG 492 15.418 32.954 23.373 145 HD3 ARG 492 2HD ARG 492 17.023 32.837 22.655 146 HE ARG 492 HE ARG 492 14.530 33.332 21.262 147 HH11 ARG 492 1HH1 ARG 492 17.740 31.981 20.743 148 HH12 ARG 492 2HH1 ARG 492 17.671 32.269 19.024 149 HH21 ARG 492 1HH2 ARG 492 14.539 33.683 19.071 150 HH22 ARG 492 2HH2 ARG 492 15.918 33.210 18.114 151 H ASN 493 H ASN 493 17.912 26.769 24.763 152 HA ASN 493 HA ASN 493 20.010 27.639 26.589 153 HB2 ASN 493 1HB ASN 493 18.293 25.544 26.609 154 HB3 ASN 493 2HB ASN 493 19.656 24.746 25.829 155 HD21 ASN 493 2HD2 ASN 493 18.412 26.146 28.794 156 HD22 ASN 493 1HD2 ASN 493 19.785 25.701 29.798 157 H SER 494 H SER 494 22.105 26.030 26.427 158 HA SER 494 HA SER 494 23.806 27.104 24.463 159 HB2 SER 494 1HB SER 494 24.531 26.139 26.598 160 HB3 SER 494 2HB SER 494 24.054 24.524 26.053 161 HG SER 494 HG SER 494 26.097 26.182 24.950 162 H SER 495 H SER 495 21.808 24.192 24.201 163 HA SER 495 HA SER 495 22.575 23.884 21.339 164 HB2 SER 495 1HB SER 495 22.776 21.433 21.676 165 HB3 SER 495 2HB SER 495 23.994 22.368 22.548 166 HG SER 495 HG SER 495 23.142 20.788 23.902 167 H GLU 496 H GLU 496 20.100 24.906 22.767 168 HA GLU 496 HA GLU 496 18.070 23.027 21.578 169 HB2 GLU 496 1HB GLU 496 17.845 24.763 24.062 170 HB3 GLU 496 2HB GLU 496 16.519 23.880 23.296 171 HG2 GLU 496 1HG GLU 496 17.496 21.753 23.778 172 HG3 GLU 496 2HG GLU 496 18.984 22.510 24.364 173 H LEU 497 H LEU 497 16.281 23.986 20.532 174 HA LEU 497 HA LEU 497 16.296 26.910 20.074 175 HB2 LEU 497 1HB LEU 497 17.838 25.675 18.458 176 HB3 LEU 497 2HB LEU 497 16.411 24.945 17.750 177 HG LEU 497 HG LEU 497 16.515 27.968 18.034 178 HD11 LEU 497 1HD1 LEU 497 18.731 27.376 17.176 179 HD12 LEU 497 2HD1 LEU 497 17.742 28.164 15.941 180 HD13 LEU 497 3HD1 LEU 497 17.978 26.394 15.900 181 HD21 LEU 497 3HD2 LEU 497 15.415 27.810 15.764 182 HD22 LEU 497 1HD2 LEU 497 14.490 27.151 17.103 183 HD23 LEU 497 2HD2 LEU 497 15.345 26.049 16.006 184 H SER 498 H SER 498 14.311 27.738 19.826 185 HA SER 498 HA SER 498 12.036 26.299 20.592 186 HB2 SER 498 1HB SER 498 10.759 28.282 20.184 187 HB3 SER 498 2HB SER 498 12.330 28.757 20.833 188 HG SER 498 HG SER 498 12.952 29.426 18.790 189 H VAL 499 H VAL 499 9.950 25.997 19.563 190 HA VAL 499 HA VAL 499 9.894 25.825 16.600 191 HB VAL 499 HB VAL 499 8.800 23.627 16.626 192 HG11 VAL 499 1HG1 VAL 499 10.792 22.247 16.822 193 HG12 VAL 499 2HG1 VAL 499 11.192 23.804 16.068 194 HG13 VAL 499 3HG1 VAL 499 11.616 23.509 17.763 195 HG21 VAL 499 3HG2 VAL 499 9.806 23.324 19.480 196 HG22 VAL 499 1HG2 VAL 499 8.094 23.530 19.023 197 HG23 VAL 499 2HG2 VAL 499 8.982 22.094 18.497 198 H LYS 500 H LYS 500 7.785 25.423 15.728 199 HA LYS 500 HA LYS 500 5.518 26.566 17.335 200 HB2 LYS 500 1HB LYS 500 6.520 27.119 14.504 201 HB3 LYS 500 2HB LYS 500 4.879 27.537 14.986 202 HG2 LYS 500 1HG LYS 500 7.261 28.490 16.605 203 HG3 LYS 500 2HG LYS 500 6.774 29.332 15.126 204 HD2 LYS 500 1HD LYS 500 4.600 29.848 15.969 205 HD3 LYS 500 2HD LYS 500 4.785 28.765 17.365 206 HE2 LYS 500 1HE LYS 500 6.549 30.163 18.296 207 HE3 LYS 500 2HE LYS 500 6.523 31.223 16.877 208 HZ1 LYS 500 3HZ LYS 500 4.182 30.839 18.674 209 HZ2 LYS 500 1HZ LYS 500 4.307 31.929 17.459 210 HZ3 LYS 500 2HZ LYS 500 5.225 32.090 18.799 211 H GLN 501 H GLN 501 3.556 25.637 17.044 212 HA GLN 501 HA GLN 501 3.282 22.944 16.232 213 HB2 GLN 501 1HB GLN 501 1.876 24.078 17.823 214 HB3 GLN 501 2HB GLN 501 1.236 25.159 16.593 215 HG2 GLN 501 1HG GLN 501 0.907 22.158 16.262 216 HG3 GLN 501 2HG GLN 501 -0.072 23.009 17.453 217 HE21 GLN 501 2HE2 GLN 501 -1.107 25.204 16.446 218 HE22 GLN 501 1HE2 GLN 501 -1.919 24.893 14.919 219 H ARG 502 H ARG 502 3.094 25.850 14.297 220 HA ARG 502 HA ARG 502 1.901 24.414 11.964 221 HB2 ARG 502 1HB ARG 502 2.228 27.403 12.425 222 HB3 ARG 502 2HB ARG 502 1.350 26.614 11.103 223 HG2 ARG 502 1HG ARG 502 -0.148 25.530 12.833 224 HG3 ARG 502 2HG ARG 502 0.605 26.553 14.065 225 HD2 ARG 502 1HD ARG 502 -0.879 27.545 11.599 226 HD3 ARG 502 2HD ARG 502 -1.544 27.439 13.239 227 HE ARG 502 HE ARG 502 0.853 29.005 13.313 228 HH11 ARG 502 1HH1 ARG 502 -2.462 29.293 12.205 229 HH12 ARG 502 2HH1 ARG 502 -2.460 31.034 12.364 230 HH21 ARG 502 1HH2 ARG 502 0.791 31.226 13.476 231 HH22 ARG 502 2HH2 ARG 502 -0.666 32.088 13.063 232 H ASP 503 H ASP 503 4.849 24.489 12.951 233 HA ASP 503 HA ASP 503 6.129 25.305 10.379 234 HB2 ASP 503 1HB ASP 503 6.902 26.426 12.411 235 HB3 ASP 503 2HB ASP 503 7.309 24.864 13.141 236 H VAL 504 H VAL 504 6.977 23.817 9.100 237 HA VAL 504 HA VAL 504 6.786 20.933 9.747 238 HB VAL 504 HB VAL 504 7.843 22.138 7.163 239 HG11 VAL 504 1HG1 VAL 504 7.403 20.002 6.248 240 HG12 VAL 504 2HG1 VAL 504 8.092 19.627 7.837 241 HG13 VAL 504 3HG1 VAL 504 6.347 19.524 7.598 242 HG21 VAL 504 3HG2 VAL 504 5.604 21.818 6.185 243 HG22 VAL 504 1HG2 VAL 504 4.941 21.503 7.804 244 HG23 VAL 504 2HG2 VAL 504 5.614 23.098 7.400 245 H LEU 505 H LEU 505 8.427 20.431 11.197 246 HA LEU 505 HA LEU 505 11.147 21.498 10.786 247 HB2 LEU 505 1HB LEU 505 9.820 19.753 12.893 248 HB3 LEU 505 2HB LEU 505 11.549 19.824 12.767 249 HG LEU 505 HG LEU 505 10.852 21.273 14.500 250 HD11 LEU 505 1HD1 LEU 505 12.742 22.041 12.989 251 HD12 LEU 505 2HD1 LEU 505 11.944 23.324 13.913 252 HD13 LEU 505 3HD1 LEU 505 11.574 23.120 12.196 253 HD21 LEU 505 3HD2 LEU 505 9.162 22.826 12.523 254 HD22 LEU 505 1HD2 LEU 505 9.418 23.207 14.234 255 HD23 LEU 505 2HD2 LEU 505 8.548 21.729 13.779 256 H GLU 506 H GLU 506 12.953 20.340 10.195 257 HA GLU 506 HA GLU 506 12.490 17.685 8.878 258 HB2 GLU 506 1HB GLU 506 13.461 19.521 7.501 259 HB3 GLU 506 2HB GLU 506 14.810 19.639 8.626 260 HG2 GLU 506 1HG GLU 506 15.417 17.268 8.113 261 HG3 GLU 506 2HG GLU 506 14.035 17.163 7.025 262 H VAL 507 H VAL 507 12.856 16.008 10.252 263 HA VAL 507 HA VAL 507 14.682 16.143 12.504 264 HB VAL 507 HB VAL 507 12.748 14.701 12.560 265 HG11 VAL 507 1HG1 VAL 507 12.599 13.916 10.229 266 HG12 VAL 507 2HG1 VAL 507 14.073 12.946 10.456 267 HG13 VAL 507 3HG1 VAL 507 12.604 12.573 11.375 268 HG21 VAL 507 3HG2 VAL 507 13.793 12.713 13.508 269 HG22 VAL 507 1HG2 VAL 507 15.319 13.070 12.692 270 HG23 VAL 507 2HG2 VAL 507 14.710 14.158 13.964 271 H LEU 508 H LEU 508 16.709 15.588 12.715 272 HA LEU 508 HA LEU 508 18.269 14.621 10.328 273 HB2 LEU 508 1HB LEU 508 19.089 16.602 12.471 274 HB3 LEU 508 2HB LEU 508 20.071 16.091 11.105 275 HG LEU 508 HG LEU 508 17.474 17.676 10.859 276 HD11 LEU 508 1HD1 LEU 508 20.374 18.492 11.042 277 HD12 LEU 508 2HD1 LEU 508 18.940 19.149 11.881 278 HD13 LEU 508 3HD1 LEU 508 19.206 19.475 10.160 279 HD21 LEU 508 3HD2 LEU 508 18.182 18.090 8.559 280 HD22 LEU 508 1HD2 LEU 508 18.013 16.355 8.825 281 HD23 LEU 508 2HD2 LEU 508 19.635 17.090 8.792 282 H ASP 509 H ASP 509 17.945 14.574 13.891 283 HA ASP 509 HA ASP 509 19.305 11.949 13.881 284 HB2 ASP 509 1HB ASP 509 21.029 13.665 14.498 285 HB3 ASP 509 2HB ASP 509 20.012 14.153 15.859 286 H ASP 510 H ASP 510 18.367 10.516 15.164 287 HA ASP 510 HA ASP 510 16.305 11.282 17.168 288 HB2 ASP 510 1HB ASP 510 14.781 9.589 16.167 289 HB3 ASP 510 2HB ASP 510 15.078 10.982 15.148 290 H SER 511 H SER 511 19.111 10.137 17.218 291 HA SER 511 HA SER 511 19.100 7.400 18.002 292 HB2 SER 511 1HB SER 511 21.056 8.834 17.283 293 HB3 SER 511 2HB SER 511 21.026 9.581 18.890 294 HG SER 511 HG SER 511 22.500 7.804 18.684 295 H ARG 512 H ARG 512 18.208 10.252 19.797 296 HA ARG 512 HA ARG 512 17.687 8.678 22.285 297 HB2 ARG 512 1HB ARG 512 18.725 11.544 22.216 298 HB3 ARG 512 2HB ARG 512 18.461 10.533 23.638 299 HG2 ARG 512 1HG ARG 512 20.311 9.008 22.806 300 HG3 ARG 512 2HG ARG 512 20.645 10.201 21.544 301 HD2 ARG 512 1HD ARG 512 20.860 10.565 24.553 302 HD3 ARG 512 2HD ARG 512 22.182 10.563 23.394 303 HE ARG 512 HE ARG 512 20.474 12.785 24.138 304 HH11 ARG 512 1HH1 ARG 512 22.445 11.680 21.446 305 HH12 ARG 512 2HH1 ARG 512 22.555 13.285 20.768 306 HH21 ARG 512 1HH2 ARG 512 20.672 14.783 23.223 307 HH22 ARG 512 2HH2 ARG 512 21.579 14.980 21.750 308 H LYS 513 H LYS 513 16.205 9.908 23.740 309 HA LYS 513 HA LYS 513 13.699 10.603 22.692 310 HB2 LYS 513 1HB LYS 513 13.175 11.409 24.912 311 HB3 LYS 513 2HB LYS 513 14.118 9.917 24.965 312 HG2 LYS 513 1HG LYS 513 16.199 11.542 25.205 313 HG3 LYS 513 2HG LYS 513 14.979 12.750 25.637 314 HD2 LYS 513 1HD LYS 513 14.333 11.551 27.577 315 HD3 LYS 513 2HD LYS 513 15.115 10.056 27.007 316 HE2 LYS 513 1HE LYS 513 17.324 11.038 27.184 317 HE3 LYS 513 2HE LYS 513 16.668 12.611 27.633 318 HZ1 LYS 513 3HZ LYS 513 16.107 11.825 29.739 319 HZ2 LYS 513 1HZ LYS 513 17.502 11.033 29.475 320 HZ3 LYS 513 2HZ LYS 513 16.085 10.252 29.305 321 H TRP 514 H TRP 514 16.407 12.828 23.294 322 HA TRP 514 HA TRP 514 14.842 15.179 22.397 323 HB2 TRP 514 1HB TRP 514 17.722 14.834 23.272 324 HB3 TRP 514 2HB TRP 514 17.074 16.317 22.592 325 HD1 TRP 514 HD1 TRP 514 16.835 14.166 25.734 326 HE1 TRP 514 HE1 TRP 514 15.694 15.490 27.622 327 HE3 TRP 514 HE3 TRP 514 15.626 18.395 23.135 328 HZ2 TRP 514 HZ2 TRP 514 14.378 18.044 27.939 329 HZ3 TRP 514 HZ3 TRP 514 14.483 20.295 24.265 330 HH2 TRP 514 HH2 TRP 514 13.831 20.116 26.653 331 H TRP 515 H TRP 515 14.227 14.726 20.333 332 HA TRP 515 HA TRP 515 16.070 13.822 18.247 333 HB2 TRP 515 1HB TRP 515 13.265 14.993 18.195 334 HB3 TRP 515 2HB TRP 515 14.177 14.610 16.741 335 HD1 TRP 515 HD1 TRP 515 14.498 12.179 19.588 336 HE1 TRP 515 HE1 TRP 515 13.407 9.951 19.019 337 HE3 TRP 515 HE3 TRP 515 12.054 13.591 15.319 338 HZ2 TRP 515 HZ2 TRP 515 11.660 8.906 16.984 339 HZ3 TRP 515 HZ3 TRP 515 10.718 11.916 14.048 340 HH2 TRP 515 HH2 TRP 515 10.518 9.583 14.862 341 H LYS 516 H LYS 516 17.000 15.050 16.655 342 HA LYS 516 HA LYS 516 17.218 17.999 17.205 343 HB2 LYS 516 1HB LYS 516 19.322 16.625 17.343 344 HB3 LYS 516 2HB LYS 516 19.180 16.304 15.623 345 HG2 LYS 516 1HG LYS 516 18.923 19.194 16.398 346 HG3 LYS 516 2HG LYS 516 20.483 18.499 16.769 347 HD2 LYS 516 1HD LYS 516 19.204 18.170 14.034 348 HD3 LYS 516 2HD LYS 516 20.116 19.607 14.425 349 HE2 LYS 516 1HE LYS 516 21.303 16.829 14.812 350 HE3 LYS 516 2HE LYS 516 21.364 17.658 13.248 351 HZ1 LYS 516 3HZ LYS 516 22.588 19.448 14.205 352 HZ2 LYS 516 1HZ LYS 516 23.364 18.066 14.609 353 HZ3 LYS 516 2HZ LYS 516 22.470 18.849 15.741 354 H VAL 517 H VAL 517 16.534 19.378 15.772 355 HA VAL 517 HA VAL 517 15.731 18.454 13.062 356 HB VAL 517 HB VAL 517 13.703 19.805 13.200 357 HG11 VAL 517 1HG1 VAL 517 12.347 18.381 14.678 358 HG12 VAL 517 2HG1 VAL 517 13.461 17.437 13.694 359 HG13 VAL 517 3HG1 VAL 517 13.818 17.720 15.415 360 HG21 VAL 517 3HG2 VAL 517 14.418 20.188 16.137 361 HG22 VAL 517 1HG2 VAL 517 14.296 21.457 14.907 362 HG23 VAL 517 2HG2 VAL 517 12.850 20.581 15.423 363 H ARG 518 H ARG 518 15.366 20.176 11.533 364 HA ARG 518 HA ARG 518 17.002 22.647 12.028 365 HB2 ARG 518 1HB ARG 518 18.029 21.242 10.467 366 HB3 ARG 518 2HB ARG 518 16.563 21.030 9.503 367 HG2 ARG 518 1HG ARG 518 16.747 23.123 8.510 368 HG3 ARG 518 2HG ARG 518 17.612 23.829 9.872 369 HD2 ARG 518 1HD ARG 518 19.087 23.583 7.948 370 HD3 ARG 518 2HD ARG 518 19.646 22.601 9.315 371 HE ARG 518 HE ARG 518 18.043 20.897 7.777 372 HH11 ARG 518 1HH1 ARG 518 21.054 22.614 7.237 373 HH12 ARG 518 2HH1 ARG 518 21.594 21.464 6.038 374 HH21 ARG 518 1HH2 ARG 518 18.734 19.536 6.217 375 HH22 ARG 518 2HH2 ARG 518 20.329 19.722 5.515 376 H ASP 519 H ASP 519 15.908 24.313 12.357 377 HA ASP 519 HA ASP 519 13.129 24.813 11.697 378 HB2 ASP 519 1HB ASP 519 13.734 27.091 12.638 379 HB3 ASP 519 2HB ASP 519 14.082 25.746 13.710 380 HA PRO 520 HA PRO 520 13.572 26.584 7.687 381 HB2 PRO 520 1HB PRO 520 11.695 28.582 7.581 382 HB3 PRO 520 2HB PRO 520 11.286 26.845 7.709 383 HG2 PRO 520 1HG PRO 520 11.517 28.855 9.978 384 HG3 PRO 520 2HG PRO 520 10.143 27.762 9.615 385 HD2 PRO 520 1HD PRO 520 12.002 27.064 11.426 386 HD3 PRO 520 2HD PRO 520 11.399 25.839 10.273 387 H ALA 521 H ALA 521 14.511 28.553 10.359 388 HA ALA 521 HA ALA 521 15.360 30.889 8.806 389 HB1 ALA 521 1HB ALA 521 16.263 31.691 10.875 390 HB2 ALA 521 2HB ALA 521 14.702 30.938 11.267 391 HB3 ALA 521 3HB ALA 521 16.235 30.087 11.610 392 H GLY 522 H GLY 522 16.640 27.733 9.480 393 HA2 GLY 522 1HA GLY 522 18.407 26.837 8.149 394 HA3 GLY 522 2HA GLY 522 19.180 28.421 8.073 395 H GLN 523 H GLN 523 18.020 27.438 11.223 396 HA GLN 523 HA GLN 523 20.817 26.830 12.104 397 HB2 GLN 523 1HB GLN 523 18.522 27.715 13.854 398 HB3 GLN 523 2HB GLN 523 20.235 27.624 14.245 399 HG2 GLN 523 1HG GLN 523 20.388 29.437 12.241 400 HG3 GLN 523 2HG GLN 523 18.701 29.670 12.649 401 HE21 GLN 523 2HE2 GLN 523 18.570 31.545 13.910 402 HE22 GLN 523 1HE2 GLN 523 19.685 31.916 15.220 403 H GLU 524 H GLU 524 20.402 25.541 14.443 404 HA GLU 524 HA GLU 524 18.631 23.204 14.030 405 HB2 GLU 524 1HB GLU 524 21.669 23.097 14.148 406 HB3 GLU 524 2HB GLU 524 20.662 21.734 14.607 407 HG2 GLU 524 1HG GLU 524 19.725 21.590 12.331 408 HG3 GLU 524 2HG GLU 524 20.630 23.026 11.847 409 H GLY 525 H GLY 525 18.161 22.085 15.965 410 HA2 GLY 525 1HA GLY 525 19.680 22.433 18.395 411 HA3 GLY 525 2HA GLY 525 18.185 23.368 18.444 412 H TYR 526 H TYR 526 18.887 21.239 20.188 413 HA TYR 526 HA TYR 526 17.291 18.886 19.531 414 HB2 TYR 526 1HB TYR 526 18.600 19.911 22.078 415 HB3 TYR 526 2HB TYR 526 17.685 18.418 21.998 416 HD1 TYR 526 HD2 TYR 526 18.347 16.763 20.013 417 HD2 TYR 526 HD1 TYR 526 20.954 19.712 21.774 418 HE1 TYR 526 HE2 TYR 526 20.323 15.487 19.216 419 HE2 TYR 526 HE1 TYR 526 22.936 18.444 20.962 420 HH TYR 526 HH TYR 526 23.667 16.608 19.808 421 H VAL 527 H VAL 527 15.304 18.324 20.176 422 HA VAL 527 HA VAL 527 13.660 19.943 22.024 423 HB VAL 527 HB VAL 527 11.734 19.750 20.314 424 HG11 VAL 527 1HG1 VAL 527 12.163 21.903 19.371 425 HG12 VAL 527 2HG1 VAL 527 12.822 21.890 21.013 426 HG13 VAL 527 3HG1 VAL 527 13.912 21.744 19.621 427 HG21 VAL 527 3HG2 VAL 527 12.256 19.779 17.966 428 HG22 VAL 527 1HG2 VAL 527 14.000 19.691 18.295 429 HG23 VAL 527 2HG2 VAL 527 12.964 18.308 18.674 430 HA PRO 528 HA PRO 528 12.306 15.880 23.106 431 HB2 PRO 528 1HB PRO 528 9.744 16.241 24.055 432 HB3 PRO 528 2HB PRO 528 11.217 16.765 24.924 433 HG2 PRO 528 1HG PRO 528 9.379 18.432 23.192 434 HG3 PRO 528 2HG PRO 528 10.062 18.842 24.791 435 HD2 PRO 528 1HD PRO 528 11.146 19.750 22.461 436 HD3 PRO 528 2HD PRO 528 12.159 19.343 23.872 437 H TYR 529 H TYR 529 11.565 14.106 21.961 438 HA TYR 529 HA TYR 529 10.218 14.342 19.486 439 HB2 TYR 529 1HB TYR 529 10.239 12.043 19.366 440 HB3 TYR 529 2HB TYR 529 11.633 12.400 20.354 441 HD1 TYR 529 HD1 TYR 529 11.281 12.238 22.990 442 HD2 TYR 529 HD2 TYR 529 8.590 10.521 20.086 443 HE1 TYR 529 HE1 TYR 529 10.392 10.720 24.728 444 HE2 TYR 529 HE2 TYR 529 7.685 9.001 21.844 445 HH TYR 529 HH TYR 529 8.917 9.058 25.206 446 H ASN 530 H ASN 530 8.799 14.322 22.681 447 HA ASN 530 HA ASN 530 6.239 13.248 22.077 448 HB2 ASN 530 1HB ASN 530 7.156 13.462 24.347 449 HB3 ASN 530 2HB ASN 530 7.143 15.226 24.221 450 HD21 ASN 530 2HD2 ASN 530 5.003 12.339 24.299 451 HD22 ASN 530 1HD2 ASN 530 3.609 13.234 24.886 452 H ILE 531 H ILE 531 7.354 16.669 21.885 453 HA ILE 531 HA ILE 531 4.678 17.608 21.120 454 HB ILE 531 HB ILE 531 5.638 19.767 20.778 455 HG12 ILE 531 1HG1 ILE 531 8.365 18.483 21.143 456 HG13 ILE 531 2HG1 ILE 531 7.731 19.201 19.663 457 HG21 ILE 531 1HG2 ILE 531 6.307 20.253 23.049 458 HG22 ILE 531 2HG2 ILE 531 5.111 18.955 23.090 459 HG23 ILE 531 3HG2 ILE 531 6.833 18.577 23.317 460 HD11 ILE 531 3HD1 ILE 531 9.256 20.750 20.629 461 HD12 ILE 531 1HD1 ILE 531 7.607 21.399 20.815 462 HD13 ILE 531 2HD1 ILE 531 8.457 20.663 22.206 463 H LEU 532 H LEU 532 7.377 16.281 19.445 464 HA LEU 532 HA LEU 532 6.607 17.280 16.779 465 HB2 LEU 532 1HB LEU 532 8.604 15.154 17.672 466 HB3 LEU 532 2HB LEU 532 8.424 15.755 16.028 467 HG LEU 532 HG LEU 532 9.337 17.427 18.421 468 HD11 LEU 532 1HD1 LEU 532 10.996 15.772 17.789 469 HD12 LEU 532 2HD1 LEU 532 11.525 17.370 17.242 470 HD13 LEU 532 3HD1 LEU 532 10.857 16.216 16.077 471 HD21 LEU 532 3HD2 LEU 532 9.981 19.095 16.675 472 HD22 LEU 532 1HD2 LEU 532 8.234 18.877 16.809 473 HD23 LEU 532 2HD2 LEU 532 9.121 18.122 15.456 474 H THR 533 H THR 533 5.931 15.868 15.088 475 HA THR 533 HA THR 533 4.995 13.151 15.696 476 HB THR 533 HB THR 533 2.756 13.852 14.417 477 HG1 THR 533 HG1 THR 533 3.572 16.176 14.555 478 HG21 THR 533 3HG2 THR 533 2.971 14.475 17.382 479 HG22 THR 533 1HG2 THR 533 2.972 12.822 16.726 480 HG23 THR 533 2HG2 THR 533 1.567 13.865 16.468 481 HA PRO 534 HA PRO 534 6.066 12.622 11.383 482 HB2 PRO 534 1HB PRO 534 4.209 10.817 10.443 483 HB3 PRO 534 2HB PRO 534 5.561 10.373 11.525 484 HG2 PRO 534 1HG PRO 534 2.692 11.005 12.298 485 HG3 PRO 534 2HG PRO 534 3.686 9.597 12.797 486 HD2 PRO 534 1HD PRO 534 3.425 11.759 14.390 487 HD3 PRO 534 2HD PRO 534 5.003 10.933 14.249 488 H TYR 535 H TYR 535 5.215 13.001 9.178 489 HA TYR 535 HA TYR 535 2.748 14.683 9.093 490 HB2 TYR 535 1HB TYR 535 4.776 16.030 8.824 491 HB3 TYR 535 2HB TYR 535 5.242 15.062 7.439 492 HD1 TYR 535 HD1 TYR 535 1.879 16.540 8.460 493 HD2 TYR 535 HD2 TYR 535 5.073 16.451 5.546 494 HE1 TYR 535 HE1 TYR 535 0.553 17.998 6.953 495 HE2 TYR 535 HE2 TYR 535 3.746 17.936 4.059 496 HH TYR 535 HH TYR 535 1.783 19.066 3.775 497 HA PRO 536 HA PRO 536 1.994 11.052 6.347 498 HB2 PRO 536 1HB PRO 536 -0.486 10.367 7.241 499 HB3 PRO 536 2HB PRO 536 1.006 9.905 8.110 500 HG2 PRO 536 1HG PRO 536 -0.802 12.284 8.671 501 HG3 PRO 536 2HG PRO 536 -0.205 11.055 9.833 502 HD2 PRO 536 1HD PRO 536 1.029 13.459 9.510 503 HD3 PRO 536 2HD PRO 536 1.960 11.962 9.826 504 H ALA 537 H ALA 537 0.662 14.165 6.761 505 HA ALA 537 HA ALA 537 -0.755 15.517 5.664 506 HB1 ALA 537 1HB ALA 537 0.273 14.005 3.235 507 HB2 ALA 537 2HB ALA 537 -0.402 15.650 3.258 508 HB3 ALA 537 3HB ALA 537 1.127 15.310 4.089 509 H ALA 538 H ALA 538 -2.146 13.480 6.850 510 HA ALA 538 HA ALA 538 -4.560 13.202 5.130 511 HB1 ALA 538 1HB ALA 538 -4.771 10.845 5.751 512 HB2 ALA 538 2HB ALA 538 -3.192 11.099 4.979 513 HB3 ALA 538 3HB ALA 538 -3.300 10.935 6.747 514 H ALA 539 H ALA 539 -6.496 12.734 6.337 515 HA ALA 539 HA ALA 539 -8.055 13.447 7.782 516 HB1 ALA 539 1HB ALA 539 -6.126 12.402 9.889 517 HB2 ALA 539 2HB ALA 539 -7.888 12.564 10.042 518 HB3 ALA 539 3HB ALA 539 -7.207 11.400 8.891 519 H SER 540 H SER 540 -6.031 15.508 7.088 520 HA SER 540 HA SER 540 -5.710 17.316 9.343 521 HB2 SER 540 1HB SER 540 -4.858 18.876 7.614 522 HB3 SER 540 2HB SER 540 -4.038 17.308 7.640 523 HG SER 540 HG SER 540 -4.624 18.022 5.494 Start of MODEL 8 1 H1 GLY 473 H GLY 473 -5.067 -2.001 4.060 2 HA2 GLY 473 1HA GLY 473 -5.431 -3.017 1.388 3 HA3 GLY 473 2HA GLY 473 -5.615 -1.265 1.566 4 HA PRO 474 HA PRO 474 -1.040 -2.198 1.160 5 HB2 PRO 474 1HB PRO 474 -0.537 -0.722 -1.088 6 HB3 PRO 474 2HB PRO 474 -1.148 -2.404 -1.144 7 HG2 PRO 474 1HG PRO 474 -2.751 0.163 -1.358 8 HG3 PRO 474 2HG PRO 474 -2.819 -1.276 -2.427 9 HD2 PRO 474 1HD PRO 474 -4.595 -0.889 -0.396 10 HD3 PRO 474 2HD PRO 474 -4.008 -2.525 -0.821 11 H LEU 475 H LEU 475 0.668 -0.736 1.628 12 HA LEU 475 HA LEU 475 -0.169 1.683 3.072 13 HB2 LEU 475 1HB LEU 475 2.409 0.110 2.772 14 HB3 LEU 475 2HB LEU 475 2.451 1.736 3.417 15 HG LEU 475 HG LEU 475 2.474 0.055 5.167 16 HD11 LEU 475 1HD1 LEU 475 1.523 2.305 5.602 17 HD12 LEU 475 2HD1 LEU 475 0.834 1.045 6.639 18 HD13 LEU 475 3HD1 LEU 475 -0.105 1.669 5.270 19 HD21 LEU 475 3HD2 LEU 475 0.547 -1.277 5.771 20 HD22 LEU 475 1HD2 LEU 475 1.046 -1.680 4.119 21 HD23 LEU 475 2HD2 LEU 475 -0.382 -0.654 4.396 22 H GLY 476 H GLY 476 2.370 1.141 0.595 23 HA2 GLY 476 1HA GLY 476 3.138 2.451 -1.146 24 HA3 GLY 476 2HA GLY 476 1.748 3.511 -0.970 25 H SER 477 H SER 477 5.066 3.372 -0.727 26 HA SER 477 HA SER 477 5.239 5.979 0.689 27 HB2 SER 477 1HB SER 477 6.964 3.577 1.438 28 HB3 SER 477 2HB SER 477 7.124 5.221 2.073 29 HG SER 477 HG SER 477 4.899 4.946 2.839 30 H GLY 478 H GLY 478 7.050 7.226 0.148 31 HA2 GLY 478 1HA GLY 478 9.329 6.509 -1.330 32 HA3 GLY 478 2HA GLY 478 8.069 6.823 -2.524 33 H ALA 479 H ALA 479 8.968 8.463 0.574 34 HA ALA 479 HA ALA 479 9.467 11.014 -0.867 35 HB1 ALA 479 1HB ALA 479 7.033 10.925 -0.379 36 HB2 ALA 479 2HB ALA 479 7.392 10.665 1.344 37 HB3 ALA 479 3HB ALA 479 7.839 12.196 0.558 38 H LEU 480 H LEU 480 10.143 12.769 0.702 39 HA LEU 480 HA LEU 480 12.409 11.955 2.292 40 HB2 LEU 480 1HB LEU 480 10.891 14.602 2.155 41 HB3 LEU 480 2HB LEU 480 12.440 14.373 2.968 42 HG LEU 480 HG LEU 480 12.029 13.964 -0.025 43 HD11 LEU 480 1HD1 LEU 480 13.141 16.128 -0.283 44 HD12 LEU 480 2HD1 LEU 480 13.241 16.324 1.482 45 HD13 LEU 480 3HD1 LEU 480 11.655 16.316 0.661 46 HD21 LEU 480 3HD2 LEU 480 14.559 14.199 1.667 47 HD22 LEU 480 1HD2 LEU 480 14.496 14.113 -0.098 48 HD23 LEU 480 2HD2 LEU 480 13.983 12.729 0.864 49 H LYS 481 H LYS 481 12.772 12.344 4.539 50 HA LYS 481 HA LYS 481 10.436 11.649 6.265 51 HB2 LYS 481 1HB LYS 481 13.422 11.366 6.752 52 HB3 LYS 481 2HB LYS 481 12.142 10.953 7.900 53 HG2 LYS 481 1HG LYS 481 11.192 9.387 6.115 54 HG3 LYS 481 2HG LYS 481 12.687 9.633 5.206 55 HD2 LYS 481 1HD LYS 481 12.457 8.536 8.044 56 HD3 LYS 481 2HD LYS 481 12.695 7.553 6.604 57 HE2 LYS 481 1HE LYS 481 14.667 9.699 7.540 58 HE3 LYS 481 2HE LYS 481 14.751 8.003 8.032 59 HZ1 LYS 481 3HZ LYS 481 14.998 7.383 5.696 60 HZ2 LYS 481 1HZ LYS 481 16.181 8.406 6.130 61 HZ3 LYS 481 2HZ LYS 481 14.947 8.945 5.220 62 H TRP 482 H TRP 482 9.444 13.478 6.761 63 HA TRP 482 HA TRP 482 10.938 15.623 8.245 64 HB2 TRP 482 1HB TRP 482 8.525 15.839 6.409 65 HB3 TRP 482 2HB TRP 482 9.035 17.111 7.502 66 HD1 TRP 482 HD1 TRP 482 10.521 15.114 4.569 67 HE1 TRP 482 HE1 TRP 482 12.103 16.632 3.220 68 HE3 TRP 482 HE3 TRP 482 10.219 19.344 7.424 69 HZ2 TRP 482 HZ2 TRP 482 13.105 19.307 3.369 70 HZ3 TRP 482 HZ3 TRP 482 11.481 21.386 6.791 71 HH2 TRP 482 HH2 TRP 482 12.940 21.383 4.776 72 H VAL 483 H VAL 483 9.730 16.716 9.883 73 HA VAL 483 HA VAL 483 7.430 15.239 11.033 74 HB VAL 483 HB VAL 483 8.405 15.657 13.331 75 HG11 VAL 483 1HG1 VAL 483 9.816 13.584 11.616 76 HG12 VAL 483 2HG1 VAL 483 9.537 13.536 13.374 77 HG13 VAL 483 3HG1 VAL 483 8.167 13.430 12.266 78 HG21 VAL 483 3HG2 VAL 483 10.893 15.530 13.514 79 HG22 VAL 483 1HG2 VAL 483 11.040 15.832 11.782 80 HG23 VAL 483 2HG2 VAL 483 10.356 17.073 12.844 81 H LEU 484 H LEU 484 5.815 16.524 11.109 82 HA LEU 484 HA LEU 484 6.023 19.443 11.298 83 HB2 LEU 484 1HB LEU 484 4.178 18.061 10.100 84 HB3 LEU 484 2HB LEU 484 3.582 17.665 11.708 85 HG LEU 484 HG LEU 484 3.252 20.129 12.145 86 HD11 LEU 484 1HD1 LEU 484 4.830 21.142 10.580 87 HD12 LEU 484 2HD1 LEU 484 3.202 21.646 10.144 88 HD13 LEU 484 3HD1 LEU 484 4.006 20.377 9.198 89 HD21 LEU 484 3HD2 LEU 484 1.397 18.715 11.328 90 HD22 LEU 484 1HD2 LEU 484 1.871 19.054 9.647 91 HD23 LEU 484 2HD2 LEU 484 1.277 20.362 10.694 92 H CYS 485 H CYS 485 5.801 20.640 13.230 93 HA CYS 485 HA CYS 485 6.125 19.201 15.755 94 HB2 CYS 485 1HB CYS 485 6.898 21.667 14.931 95 HB3 CYS 485 2HB CYS 485 5.342 22.091 15.628 96 HG CYS 485 HG CYS 485 6.796 19.956 17.510 97 H ASN 486 H ASN 486 4.516 18.782 17.328 98 HA ASN 486 HA ASN 486 1.710 19.154 16.424 99 HB2 ASN 486 1HB ASN 486 2.842 16.904 17.198 100 HB3 ASN 486 2HB ASN 486 2.595 17.515 18.806 101 HD21 ASN 486 2HD2 ASN 486 1.274 15.413 18.817 102 HD22 ASN 486 1HD2 ASN 486 -0.396 15.543 18.283 103 H TYR 487 H TYR 487 3.890 20.494 18.727 104 HA TYR 487 HA TYR 487 1.865 22.264 19.920 105 HB2 TYR 487 1HB TYR 487 3.638 20.454 21.627 106 HB3 TYR 487 2HB TYR 487 2.562 21.706 22.221 107 HD1 TYR 487 HD1 TYR 487 0.077 21.408 22.114 108 HD2 TYR 487 HD2 TYR 487 2.806 18.266 20.963 109 HE1 TYR 487 HE1 TYR 487 -1.794 19.756 22.163 110 HE2 TYR 487 HE2 TYR 487 0.946 16.629 20.993 111 HH TYR 487 HH TYR 487 -1.294 16.309 21.347 112 H ASP 488 H ASP 488 2.839 24.224 20.664 113 HA ASP 488 HA ASP 488 5.497 24.818 19.693 114 HB2 ASP 488 1HB ASP 488 5.181 27.000 20.553 115 HB3 ASP 488 2HB ASP 488 3.653 26.491 19.851 116 H PHE 489 H PHE 489 7.344 25.441 20.855 117 HA PHE 489 HA PHE 489 7.611 24.836 23.732 118 HB2 PHE 489 1HB PHE 489 7.909 22.661 22.699 119 HB3 PHE 489 2HB PHE 489 9.091 23.291 21.570 120 HD1 PHE 489 HD2 PHE 489 8.462 22.583 25.195 121 HD2 PHE 489 HD1 PHE 489 11.417 23.352 22.145 122 HE1 PHE 489 HE2 PHE 489 10.269 21.899 26.763 123 HE2 PHE 489 HE1 PHE 489 13.208 22.630 23.704 124 HZ PHE 489 HZ PHE 489 12.650 21.952 26.020 125 H GLN 490 H GLN 490 8.436 26.733 24.368 126 HA GLN 490 HA GLN 490 10.308 28.319 22.791 127 HB2 GLN 490 1HB GLN 490 8.609 29.240 24.432 128 HB3 GLN 490 2HB GLN 490 9.587 28.561 25.743 129 HG2 GLN 490 1HG GLN 490 11.550 29.937 24.838 130 HG3 GLN 490 2HG GLN 490 10.411 30.696 23.721 131 HE21 GLN 490 2HE2 GLN 490 11.758 30.845 26.889 132 HE22 GLN 490 1HE2 GLN 490 10.634 32.036 27.533 133 H ALA 491 H ALA 491 12.489 28.008 22.711 134 HA ALA 491 HA ALA 491 13.968 26.813 24.970 135 HB1 ALA 491 1HB ALA 491 14.285 25.469 22.315 136 HB2 ALA 491 2HB ALA 491 14.642 24.944 23.984 137 HB3 ALA 491 3HB ALA 491 12.971 25.011 23.417 138 H ARG 492 H ARG 492 15.820 27.931 25.134 139 HA ARG 492 HA ARG 492 17.340 29.015 22.810 140 HB2 ARG 492 1HB ARG 492 15.885 30.696 24.888 141 HB3 ARG 492 2HB ARG 492 17.274 31.345 24.048 142 HG2 ARG 492 1HG ARG 492 14.840 30.324 22.551 143 HG3 ARG 492 2HG ARG 492 15.034 31.984 23.075 144 HD2 ARG 492 1HD ARG 492 16.978 30.529 21.237 145 HD3 ARG 492 2HD ARG 492 15.637 31.544 20.688 146 HE ARG 492 HE ARG 492 17.148 33.099 22.503 147 HH11 ARG 492 1HH1 ARG 492 17.617 31.747 19.297 148 HH12 ARG 492 2HH1 ARG 492 18.732 33.011 18.838 149 HH21 ARG 492 1HH2 ARG 492 18.572 34.663 21.852 150 HH22 ARG 492 2HH2 ARG 492 19.253 34.613 20.248 151 H ASN 493 H ASN 493 17.679 27.150 25.206 152 HA ASN 493 HA ASN 493 20.289 28.230 26.162 153 HB2 ASN 493 1HB ASN 493 18.022 27.139 27.889 154 HB3 ASN 493 2HB ASN 493 19.682 27.258 28.457 155 HD21 ASN 493 2HD2 ASN 493 16.790 28.889 28.554 156 HD22 ASN 493 1HD2 ASN 493 17.438 30.502 28.828 157 H SER 494 H SER 494 21.708 26.480 27.070 158 HA SER 494 HA SER 494 22.878 24.571 26.652 159 HB2 SER 494 1HB SER 494 21.120 23.917 28.313 160 HB3 SER 494 2HB SER 494 20.179 23.222 26.986 161 HG SER 494 HG SER 494 21.933 21.852 26.551 162 H SER 495 H SER 495 22.212 25.831 24.236 163 HA SER 495 HA SER 495 22.170 25.625 21.999 164 HB2 SER 495 1HB SER 495 23.068 22.759 22.424 165 HB3 SER 495 2HB SER 495 23.165 23.680 20.917 166 HG SER 495 HG SER 495 24.417 24.384 23.370 167 H GLU 496 H GLU 496 19.684 24.775 23.567 168 HA GLU 496 HA GLU 496 18.088 23.262 21.623 169 HB2 GLU 496 1HB GLU 496 17.308 25.024 23.970 170 HB3 GLU 496 2HB GLU 496 16.233 23.997 23.054 171 HG2 GLU 496 1HG GLU 496 17.171 21.988 23.850 172 HG3 GLU 496 2HG GLU 496 18.629 22.776 24.441 173 H LEU 497 H LEU 497 16.066 24.297 20.685 174 HA LEU 497 HA LEU 497 16.209 27.180 20.052 175 HB2 LEU 497 1HB LEU 497 17.691 25.934 18.386 176 HB3 LEU 497 2HB LEU 497 16.288 25.037 17.863 177 HG LEU 497 HG LEU 497 15.933 28.010 17.875 178 HD11 LEU 497 1HD1 LEU 497 17.826 26.684 15.906 179 HD12 LEU 497 2HD1 LEU 497 18.246 27.908 17.126 180 HD13 LEU 497 3HD1 LEU 497 17.176 28.334 15.778 181 HD21 LEU 497 3HD2 LEU 497 14.262 26.397 16.953 182 HD22 LEU 497 1HD2 LEU 497 15.444 25.877 15.756 183 HD23 LEU 497 2HD2 LEU 497 14.835 27.549 15.736 184 H SER 498 H SER 498 14.268 28.066 19.817 185 HA SER 498 HA SER 498 11.988 26.648 20.644 186 HB2 SER 498 1HB SER 498 10.778 28.765 20.329 187 HB3 SER 498 2HB SER 498 12.347 29.026 21.103 188 HG SER 498 HG SER 498 12.629 29.186 18.436 189 H VAL 499 H VAL 499 10.077 25.990 19.719 190 HA VAL 499 HA VAL 499 9.810 26.057 16.738 191 HB VAL 499 HB VAL 499 9.131 23.705 16.738 192 HG11 VAL 499 1HG1 VAL 499 11.434 24.319 16.097 193 HG12 VAL 499 2HG1 VAL 499 11.967 24.111 17.779 194 HG13 VAL 499 3HG1 VAL 499 11.378 22.720 16.861 195 HG21 VAL 499 3HG2 VAL 499 8.546 23.400 19.134 196 HG22 VAL 499 1HG2 VAL 499 9.706 22.191 18.576 197 HG23 VAL 499 2HG2 VAL 499 10.268 23.553 19.564 198 H LYS 500 H LYS 500 7.718 25.447 15.924 199 HA LYS 500 HA LYS 500 5.457 26.309 17.701 200 HB2 LYS 500 1HB LYS 500 6.075 27.245 14.884 201 HB3 LYS 500 2HB LYS 500 4.687 27.727 15.842 202 HG2 LYS 500 1HG LYS 500 5.818 29.360 16.891 203 HG3 LYS 500 2HG LYS 500 7.169 28.299 17.311 204 HD2 LYS 500 1HD LYS 500 8.080 28.497 15.046 205 HD3 LYS 500 2HD LYS 500 6.761 29.581 14.575 206 HE2 LYS 500 1HE LYS 500 8.824 30.155 16.760 207 HE3 LYS 500 2HE LYS 500 8.942 30.717 15.092 208 HZ1 LYS 500 3HZ LYS 500 6.883 31.967 15.409 209 HZ2 LYS 500 1HZ LYS 500 7.998 32.429 16.505 210 HZ3 LYS 500 2HZ LYS 500 6.762 31.469 16.965 211 H GLN 501 H GLN 501 3.425 25.480 17.143 212 HA GLN 501 HA GLN 501 3.303 22.877 16.044 213 HB2 GLN 501 1HB GLN 501 1.857 23.846 17.773 214 HB3 GLN 501 2HB GLN 501 1.062 24.865 16.584 215 HG2 GLN 501 1HG GLN 501 1.144 21.843 16.260 216 HG3 GLN 501 2HG GLN 501 0.020 22.574 17.388 217 HE21 GLN 501 2HE2 GLN 501 -0.472 21.026 14.823 218 HE22 GLN 501 1HE2 GLN 501 -1.507 22.100 13.893 219 H ARG 502 H ARG 502 3.263 25.844 14.330 220 HA ARG 502 HA ARG 502 2.089 24.581 11.879 221 HB2 ARG 502 1HB ARG 502 2.254 27.531 12.592 222 HB3 ARG 502 2HB ARG 502 1.530 26.839 11.133 223 HG2 ARG 502 1HG ARG 502 -0.051 25.530 12.623 224 HG3 ARG 502 2HG ARG 502 0.539 26.480 13.993 225 HD2 ARG 502 1HD ARG 502 -0.798 27.576 11.487 226 HD3 ARG 502 2HD ARG 502 -1.567 27.361 13.066 227 HE ARG 502 HE ARG 502 0.732 28.993 13.440 228 HH11 ARG 502 1HH1 ARG 502 -2.423 29.264 11.933 229 HH12 ARG 502 2HH1 ARG 502 -2.461 31.002 12.118 230 HH21 ARG 502 1HH2 ARG 502 0.630 31.205 13.622 231 HH22 ARG 502 2HH2 ARG 502 -0.777 32.063 13.048 232 H ASP 503 H ASP 503 4.949 24.552 12.953 233 HA ASP 503 HA ASP 503 6.316 25.562 10.495 234 HB2 ASP 503 1HB ASP 503 6.822 26.726 12.654 235 HB3 ASP 503 2HB ASP 503 7.454 25.203 13.290 236 H VAL 504 H VAL 504 6.959 24.003 9.171 237 HA VAL 504 HA VAL 504 7.108 21.196 10.075 238 HB VAL 504 HB VAL 504 5.825 21.758 8.087 239 HG11 VAL 504 1HG1 VAL 504 8.433 22.416 6.669 240 HG12 VAL 504 2HG1 VAL 504 6.820 22.292 5.949 241 HG13 VAL 504 3HG1 VAL 504 7.165 23.590 7.101 242 HG21 VAL 504 3HG2 VAL 504 6.473 19.893 6.800 243 HG22 VAL 504 1HG2 VAL 504 8.170 20.053 7.236 244 HG23 VAL 504 2HG2 VAL 504 6.989 19.503 8.439 245 H LEU 505 H LEU 505 8.911 20.056 10.427 246 HA LEU 505 HA LEU 505 11.547 21.408 9.989 247 HB2 LEU 505 1HB LEU 505 10.765 19.650 12.330 248 HB3 LEU 505 2HB LEU 505 12.205 20.649 12.154 249 HG LEU 505 HG LEU 505 9.357 21.661 12.567 250 HD11 LEU 505 1HD1 LEU 505 11.739 21.750 14.440 251 HD12 LEU 505 2HD1 LEU 505 10.443 20.533 14.533 252 HD13 LEU 505 3HD1 LEU 505 10.068 22.248 14.783 253 HD21 LEU 505 3HD2 LEU 505 11.986 23.210 12.545 254 HD22 LEU 505 1HD2 LEU 505 10.391 23.874 12.944 255 HD23 LEU 505 2HD2 LEU 505 10.725 23.319 11.306 256 H GLU 506 H GLU 506 13.380 20.037 9.797 257 HA GLU 506 HA GLU 506 12.763 17.225 8.962 258 HB2 GLU 506 1HB GLU 506 13.663 18.616 7.161 259 HB3 GLU 506 2HB GLU 506 15.112 18.955 8.122 260 HG2 GLU 506 1HG GLU 506 15.792 16.649 8.052 261 HG3 GLU 506 2HG GLU 506 14.201 16.123 7.497 262 H VAL 507 H VAL 507 13.367 15.668 10.254 263 HA VAL 507 HA VAL 507 14.907 16.118 12.666 264 HB VAL 507 HB VAL 507 13.137 14.496 12.646 265 HG11 VAL 507 1HG1 VAL 507 13.216 13.649 10.328 266 HG12 VAL 507 2HG1 VAL 507 14.740 12.809 10.687 267 HG13 VAL 507 3HG1 VAL 507 13.242 12.343 11.513 268 HG21 VAL 507 3HG2 VAL 507 15.793 13.059 13.001 269 HG22 VAL 507 1HG2 VAL 507 15.035 14.148 14.189 270 HG23 VAL 507 2HG2 VAL 507 14.242 12.635 13.728 271 H LEU 508 H LEU 508 16.953 15.702 13.125 272 HA LEU 508 HA LEU 508 18.852 14.942 10.922 273 HB2 LEU 508 1HB LEU 508 19.257 16.831 13.262 274 HB3 LEU 508 2HB LEU 508 20.396 16.528 11.960 275 HG LEU 508 HG LEU 508 17.670 17.864 11.607 276 HD11 LEU 508 1HD1 LEU 508 20.463 19.005 11.875 277 HD12 LEU 508 2HD1 LEU 508 19.096 19.225 12.994 278 HD13 LEU 508 3HD1 LEU 508 19.031 19.932 11.374 279 HD21 LEU 508 3HD2 LEU 508 18.522 18.541 9.417 280 HD22 LEU 508 1HD2 LEU 508 18.524 16.782 9.532 281 HD23 LEU 508 2HD2 LEU 508 20.052 17.674 9.711 282 H ASP 509 H ASP 509 18.137 14.736 14.383 283 HA ASP 509 HA ASP 509 19.873 12.315 14.656 284 HB2 ASP 509 1HB ASP 509 19.541 14.632 16.607 285 HB3 ASP 509 2HB ASP 509 20.094 13.043 17.085 286 H ASP 510 H ASP 510 18.741 10.621 15.364 287 HA ASP 510 HA ASP 510 16.190 10.978 16.866 288 HB2 ASP 510 1HB ASP 510 15.159 9.237 15.446 289 HB3 ASP 510 2HB ASP 510 15.572 10.708 14.584 290 H SER 511 H SER 511 19.099 10.009 17.421 291 HA SER 511 HA SER 511 18.720 7.220 18.262 292 HB2 SER 511 1HB SER 511 20.774 8.147 17.099 293 HB3 SER 511 2HB SER 511 21.162 8.995 18.606 294 HG SER 511 HG SER 511 21.041 6.865 19.618 295 H ARG 512 H ARG 512 17.954 10.070 19.777 296 HA ARG 512 HA ARG 512 17.970 8.889 22.503 297 HB2 ARG 512 1HB ARG 512 19.070 11.657 21.784 298 HB3 ARG 512 2HB ARG 512 18.675 11.126 23.414 299 HG2 ARG 512 1HG ARG 512 20.317 9.137 22.941 300 HG3 ARG 512 2HG ARG 512 20.899 10.149 21.612 301 HD2 ARG 512 1HD ARG 512 22.304 10.567 23.518 302 HD3 ARG 512 2HD ARG 512 21.294 12.003 23.269 303 HE ARG 512 HE ARG 512 20.208 10.023 25.164 304 HH11 ARG 512 1HH1 ARG 512 22.291 12.846 25.015 305 HH12 ARG 512 2HH1 ARG 512 21.995 13.248 26.690 306 HH21 ARG 512 1HH2 ARG 512 19.866 10.610 27.264 307 HH22 ARG 512 2HH2 ARG 512 20.667 12.011 27.921 308 H LYS 513 H LYS 513 16.685 10.534 23.990 309 HA LYS 513 HA LYS 513 14.001 10.899 22.912 310 HB2 LYS 513 1HB LYS 513 15.293 11.799 25.514 311 HB3 LYS 513 2HB LYS 513 13.578 11.988 25.119 312 HG2 LYS 513 1HG LYS 513 13.304 9.554 24.896 313 HG3 LYS 513 2HG LYS 513 15.031 9.304 25.174 314 HD2 LYS 513 1HD LYS 513 13.867 8.814 27.204 315 HD3 LYS 513 2HD LYS 513 14.821 10.288 27.434 316 HE2 LYS 513 1HE LYS 513 12.760 11.656 27.080 317 HE3 LYS 513 2HE LYS 513 11.824 10.172 26.851 318 HZ1 LYS 513 3HZ LYS 513 12.400 9.547 29.143 319 HZ2 LYS 513 1HZ LYS 513 11.640 10.992 29.128 320 HZ3 LYS 513 2HZ LYS 513 13.257 10.927 29.348 321 H TRP 514 H TRP 514 16.730 13.085 23.385 322 HA TRP 514 HA TRP 514 15.163 15.451 22.520 323 HB2 TRP 514 1HB TRP 514 18.037 15.133 23.418 324 HB3 TRP 514 2HB TRP 514 17.347 16.625 22.811 325 HD1 TRP 514 HD1 TRP 514 17.098 14.273 25.826 326 HE1 TRP 514 HE1 TRP 514 16.000 15.512 27.790 327 HE3 TRP 514 HE3 TRP 514 15.848 18.630 23.439 328 HZ2 TRP 514 HZ2 TRP 514 14.700 18.051 28.252 329 HZ3 TRP 514 HZ3 TRP 514 14.693 20.453 24.669 330 HH2 TRP 514 HH2 TRP 514 14.112 20.173 27.070 331 H TRP 515 H TRP 515 14.594 14.885 20.432 332 HA TRP 515 HA TRP 515 16.527 14.110 18.392 333 HB2 TRP 515 1HB TRP 515 13.670 15.142 18.292 334 HB3 TRP 515 2HB TRP 515 14.627 14.840 16.848 335 HD1 TRP 515 HD1 TRP 515 15.174 12.323 19.562 336 HE1 TRP 515 HE1 TRP 515 14.102 10.091 18.988 337 HE3 TRP 515 HE3 TRP 515 12.439 13.793 15.484 338 HZ2 TRP 515 HZ2 TRP 515 12.288 9.050 17.015 339 HZ3 TRP 515 HZ3 TRP 515 11.088 12.118 14.237 340 HH2 TRP 515 HH2 TRP 515 10.993 9.757 14.992 341 H LYS 516 H LYS 516 17.598 15.368 16.948 342 HA LYS 516 HA LYS 516 17.592 18.326 17.400 343 HB2 LYS 516 1HB LYS 516 19.791 16.872 17.249 344 HB3 LYS 516 2HB LYS 516 19.480 16.921 15.511 345 HG2 LYS 516 1HG LYS 516 19.193 19.555 16.046 346 HG3 LYS 516 2HG LYS 516 20.165 19.144 17.449 347 HD2 LYS 516 1HD LYS 516 20.873 18.796 14.508 348 HD3 LYS 516 2HD LYS 516 21.574 19.970 15.619 349 HE2 LYS 516 1HE LYS 516 21.847 16.955 15.917 350 HE3 LYS 516 2HE LYS 516 22.986 17.958 15.019 351 HZ1 LYS 516 3HZ LYS 516 22.410 18.296 17.917 352 HZ2 LYS 516 1HZ LYS 516 23.464 19.196 17.041 353 HZ3 LYS 516 2HZ LYS 516 23.757 17.610 17.284 354 H VAL 517 H VAL 517 16.793 19.677 15.896 355 HA VAL 517 HA VAL 517 15.638 18.574 13.344 356 HB VAL 517 HB VAL 517 13.652 19.948 13.728 357 HG11 VAL 517 1HG1 VAL 517 12.525 18.508 15.316 358 HG12 VAL 517 2HG1 VAL 517 13.628 17.550 14.316 359 HG13 VAL 517 3HG1 VAL 517 14.072 17.963 15.989 360 HG21 VAL 517 3HG2 VAL 517 14.728 20.413 16.540 361 HG22 VAL 517 1HG2 VAL 517 14.436 21.647 15.298 362 HG23 VAL 517 2HG2 VAL 517 13.081 20.761 16.009 363 H ARG 518 H ARG 518 15.403 20.013 11.654 364 HA ARG 518 HA ARG 518 17.069 22.487 11.787 365 HB2 ARG 518 1HB ARG 518 17.376 20.555 10.030 366 HB3 ARG 518 2HB ARG 518 15.945 21.219 9.261 367 HG2 ARG 518 1HG ARG 518 17.172 23.507 9.334 368 HG3 ARG 518 2HG ARG 518 18.619 22.591 9.773 369 HD2 ARG 518 1HD ARG 518 16.944 22.266 7.259 370 HD3 ARG 518 2HD ARG 518 18.514 23.078 7.356 371 HE ARG 518 HE ARG 518 19.192 20.632 8.279 372 HH11 ARG 518 1HH1 ARG 518 17.427 21.519 5.381 373 HH12 ARG 518 2HH1 ARG 518 17.735 19.976 4.625 374 HH21 ARG 518 1HH2 ARG 518 19.624 18.721 7.192 375 HH22 ARG 518 2HH2 ARG 518 18.980 18.484 5.590 376 H ASP 519 H ASP 519 16.020 24.270 12.139 377 HA ASP 519 HA ASP 519 13.218 24.823 11.472 378 HB2 ASP 519 1HB ASP 519 13.850 27.103 12.349 379 HB3 ASP 519 2HB ASP 519 14.137 25.781 13.468 380 HA PRO 520 HA PRO 520 13.818 26.420 7.423 381 HB2 PRO 520 1HB PRO 520 11.996 28.448 7.161 382 HB3 PRO 520 2HB PRO 520 11.538 26.729 7.370 383 HG2 PRO 520 1HG PRO 520 11.769 28.853 9.532 384 HG3 PRO 520 2HG PRO 520 10.372 27.782 9.184 385 HD2 PRO 520 1HD PRO 520 12.155 27.126 11.090 386 HD3 PRO 520 2HD PRO 520 11.542 25.861 9.989 387 H ALA 521 H ALA 521 14.698 28.545 10.018 388 HA ALA 521 HA ALA 521 15.732 30.714 8.344 389 HB1 ALA 521 1HB ALA 521 16.413 30.019 11.233 390 HB2 ALA 521 2HB ALA 521 16.719 31.542 10.398 391 HB3 ALA 521 3HB ALA 521 15.046 31.047 10.732 392 H GLY 522 H GLY 522 16.765 27.522 9.165 393 HA2 GLY 522 1HA GLY 522 18.466 26.427 7.920 394 HA3 GLY 522 2HA GLY 522 19.334 27.951 7.729 395 H GLN 523 H GLN 523 18.195 27.450 10.946 396 HA GLN 523 HA GLN 523 20.932 26.780 11.900 397 HB2 GLN 523 1HB GLN 523 18.571 27.625 13.595 398 HB3 GLN 523 2HB GLN 523 20.280 27.620 14.006 399 HG2 GLN 523 1HG GLN 523 20.563 29.434 12.191 400 HG3 GLN 523 2HG GLN 523 18.804 29.509 12.131 401 HE21 GLN 523 2HE2 GLN 523 21.637 30.035 14.277 402 HE22 GLN 523 1HE2 GLN 523 20.763 31.071 15.398 403 H GLU 524 H GLU 524 20.474 25.516 14.232 404 HA GLU 524 HA GLU 524 18.598 23.276 13.884 405 HB2 GLU 524 1HB GLU 524 21.534 22.774 14.452 406 HB3 GLU 524 2HB GLU 524 20.268 21.556 14.349 407 HG2 GLU 524 1HG GLU 524 20.026 21.983 11.940 408 HG3 GLU 524 2HG GLU 524 21.239 23.263 12.023 409 H GLY 525 H GLY 525 18.066 22.273 15.893 410 HA2 GLY 525 1HA GLY 525 19.676 22.702 18.266 411 HA3 GLY 525 2HA GLY 525 18.156 23.590 18.347 412 H TYR 526 H TYR 526 18.881 21.631 20.161 413 HA TYR 526 HA TYR 526 17.429 19.149 19.632 414 HB2 TYR 526 1HB TYR 526 18.672 20.371 22.126 415 HB3 TYR 526 2HB TYR 526 17.856 18.818 22.110 416 HD1 TYR 526 HD1 TYR 526 18.653 17.206 20.061 417 HD2 TYR 526 HD2 TYR 526 21.037 20.231 22.011 418 HE1 TYR 526 HE1 TYR 526 20.710 15.993 19.407 419 HE2 TYR 526 HE2 TYR 526 23.108 18.995 21.375 420 HH TYR 526 HH TYR 526 22.990 15.878 19.618 421 H VAL 527 H VAL 527 15.468 18.531 20.304 422 HA VAL 527 HA VAL 527 13.804 20.100 22.164 423 HB VAL 527 HB VAL 527 11.831 19.962 20.641 424 HG11 VAL 527 1HG1 VAL 527 13.125 22.062 20.926 425 HG12 VAL 527 2HG1 VAL 527 14.023 21.673 19.441 426 HG13 VAL 527 3HG1 VAL 527 12.271 21.938 19.379 427 HG21 VAL 527 3HG2 VAL 527 12.580 18.253 19.041 428 HG22 VAL 527 1HG2 VAL 527 12.120 19.747 18.216 429 HG23 VAL 527 2HG2 VAL 527 13.834 19.348 18.437 430 HA PRO 528 HA PRO 528 12.675 15.913 23.219 431 HB2 PRO 528 1HB PRO 528 10.121 16.166 24.248 432 HB3 PRO 528 2HB PRO 528 11.616 16.656 25.107 433 HG2 PRO 528 1HG PRO 528 9.686 18.385 23.561 434 HG3 PRO 528 2HG PRO 528 10.455 18.718 25.137 435 HD2 PRO 528 1HD PRO 528 11.368 19.760 22.775 436 HD3 PRO 528 2HD PRO 528 12.470 19.359 24.113 437 H TYR 529 H TYR 529 12.053 14.219 21.934 438 HA TYR 529 HA TYR 529 10.639 14.580 19.514 439 HB2 TYR 529 1HB TYR 529 10.948 12.352 19.122 440 HB3 TYR 529 2HB TYR 529 12.270 12.714 20.207 441 HD1 TYR 529 HD2 TYR 529 11.415 12.417 22.898 442 HD2 TYR 529 HD1 TYR 529 9.965 10.286 19.433 443 HE1 TYR 529 HE2 TYR 529 10.598 10.598 24.360 444 HE2 TYR 529 HE1 TYR 529 9.181 8.444 20.903 445 HH TYR 529 HH TYR 529 9.026 7.663 23.040 446 H ASN 530 H ASN 530 9.316 14.057 22.680 447 HA ASN 530 HA ASN 530 6.861 12.808 22.068 448 HB2 ASN 530 1HB ASN 530 7.845 14.563 24.344 449 HB3 ASN 530 2HB ASN 530 6.193 13.961 24.324 450 HD21 ASN 530 2HD2 ASN 530 8.895 13.312 25.873 451 HD22 ASN 530 1HD2 ASN 530 8.772 11.559 25.952 452 H ILE 531 H ILE 531 7.723 16.021 21.236 453 HA ILE 531 HA ILE 531 4.857 16.772 20.772 454 HB ILE 531 HB ILE 531 5.578 19.115 20.821 455 HG12 ILE 531 1HG1 ILE 531 8.254 18.096 21.823 456 HG13 ILE 531 2HG1 ILE 531 7.996 18.643 20.171 457 HG21 ILE 531 1HG2 ILE 531 4.691 17.934 22.840 458 HG22 ILE 531 2HG2 ILE 531 6.363 17.647 23.370 459 HG23 ILE 531 3HG2 ILE 531 5.737 19.303 23.225 460 HD11 ILE 531 3HD1 ILE 531 7.343 20.885 21.046 461 HD12 ILE 531 1HD1 ILE 531 7.763 20.319 22.688 462 HD13 ILE 531 2HD1 ILE 531 9.013 20.415 21.432 463 H LEU 532 H LEU 532 6.905 15.233 19.073 464 HA LEU 532 HA LEU 532 6.548 16.804 16.543 465 HB2 LEU 532 1HB LEU 532 8.566 14.614 17.183 466 HB3 LEU 532 2HB LEU 532 8.427 15.491 15.667 467 HG LEU 532 HG LEU 532 9.261 16.692 18.347 468 HD11 LEU 532 1HD1 LEU 532 11.470 16.870 17.353 469 HD12 LEU 532 2HD1 LEU 532 10.884 16.182 15.825 470 HD13 LEU 532 3HD1 LEU 532 10.939 15.183 17.292 471 HD21 LEU 532 3HD2 LEU 532 9.103 17.956 15.572 472 HD22 LEU 532 1HD2 LEU 532 9.885 18.690 16.991 473 HD23 LEU 532 2HD2 LEU 532 8.144 18.404 17.004 474 H THR 533 H THR 533 5.549 15.812 14.848 475 HA THR 533 HA THR 533 4.645 12.983 15.095 476 HB THR 533 HB THR 533 2.497 13.816 13.907 477 HG1 THR 533 HG1 THR 533 1.886 15.884 14.386 478 HG21 THR 533 3HG2 THR 533 1.364 14.298 16.029 479 HG22 THR 533 1HG2 THR 533 2.935 14.538 16.831 480 HG23 THR 533 2HG2 THR 533 2.487 12.942 16.197 481 HA PRO 534 HA PRO 534 6.105 12.609 10.955 482 HB2 PRO 534 1HB PRO 534 4.301 10.941 9.711 483 HB3 PRO 534 2HB PRO 534 5.475 10.396 10.945 484 HG2 PRO 534 1HG PRO 534 2.566 11.152 11.354 485 HG3 PRO 534 2HG PRO 534 3.420 9.682 11.930 486 HD2 PRO 534 1HD PRO 534 3.050 11.803 13.555 487 HD3 PRO 534 2HD PRO 534 4.594 10.906 13.588 488 H TYR 535 H TYR 535 5.585 13.071 8.673 489 HA TYR 535 HA TYR 535 3.364 15.046 8.329 490 HB2 TYR 535 1HB TYR 535 5.647 16.023 8.495 491 HB3 TYR 535 2HB TYR 535 6.104 15.135 7.051 492 HD1 TYR 535 HD1 TYR 535 3.169 17.278 8.141 493 HD2 TYR 535 HD2 TYR 535 6.181 16.513 5.143 494 HE1 TYR 535 HE1 TYR 535 2.325 19.198 6.800 495 HE2 TYR 535 HE2 TYR 535 5.334 18.431 3.806 496 HH TYR 535 HH TYR 535 3.797 20.112 3.671 497 HA PRO 536 HA PRO 536 2.735 11.501 5.379 498 HB2 PRO 536 1HB PRO 536 0.134 10.918 5.939 499 HB3 PRO 536 2HB PRO 536 1.495 10.349 6.945 500 HG2 PRO 536 1HG PRO 536 -0.271 12.770 7.428 501 HG3 PRO 536 2HG PRO 536 0.179 11.478 8.583 502 HD2 PRO 536 1HD PRO 536 1.507 13.861 8.480 503 HD3 PRO 536 2HD PRO 536 2.344 12.320 8.834 504 H ALA 537 H ALA 537 3.051 12.987 3.700 505 HA ALA 537 HA ALA 537 0.583 14.045 2.415 506 HB1 ALA 537 1HB ALA 537 1.785 16.155 1.910 507 HB2 ALA 537 2HB ALA 537 1.567 15.917 3.656 508 HB3 ALA 537 3HB ALA 537 3.150 15.615 2.912 509 H ALA 538 H ALA 538 0.455 12.900 0.583 510 HA ALA 538 HA ALA 538 2.692 11.640 -0.712 511 HB1 ALA 538 1HB ALA 538 0.405 10.737 -0.761 512 HB2 ALA 538 2HB ALA 538 -0.156 12.155 -1.677 513 HB3 ALA 538 3HB ALA 538 1.001 11.023 -2.406 514 H ALA 539 H ALA 539 1.003 14.699 -1.314 515 HA ALA 539 HA ALA 539 2.685 15.366 -3.661 516 HB1 ALA 539 1HB ALA 539 0.269 15.895 -3.693 517 HB2 ALA 539 2HB ALA 539 0.465 16.893 -2.230 518 HB3 ALA 539 3HB ALA 539 1.252 17.372 -3.749 519 H SER 540 H SER 540 4.066 17.154 -3.703 520 HA SER 540 HA SER 540 5.551 17.835 -1.282 521 HB2 SER 540 1HB SER 540 6.542 17.581 -3.581 522 HB3 SER 540 2HB SER 540 5.727 19.086 -4.054 523 HG SER 540 HG SER 540 6.887 20.143 -2.378 Start of MODEL 9 1 H1 GLY 473 H GLY 473 9.956 12.524 -7.003 2 HA2 GLY 473 1HA GLY 473 10.641 12.405 -9.874 3 HA3 GLY 473 2HA GLY 473 11.116 11.211 -8.651 4 HA PRO 474 HA PRO 474 7.018 9.819 -10.431 5 HB2 PRO 474 1HB PRO 474 7.802 7.358 -11.326 6 HB3 PRO 474 2HB PRO 474 7.979 8.850 -12.298 7 HG2 PRO 474 1HG PRO 474 10.081 7.475 -10.601 8 HG3 PRO 474 2HG PRO 474 10.232 8.070 -12.284 9 HD2 PRO 474 1HD PRO 474 11.090 9.516 -10.127 10 HD3 PRO 474 2HD PRO 474 10.396 10.307 -11.575 11 H LEU 475 H LEU 475 5.628 8.535 -9.284 12 HA LEU 475 HA LEU 475 4.718 7.615 -7.425 13 HB2 LEU 475 1HB LEU 475 7.027 5.711 -7.956 14 HB3 LEU 475 2HB LEU 475 5.845 5.396 -6.715 15 HG LEU 475 HG LEU 475 5.376 4.116 -8.668 16 HD11 LEU 475 1HD1 LEU 475 3.013 4.567 -8.899 17 HD12 LEU 475 2HD1 LEU 475 3.217 6.229 -8.313 18 HD13 LEU 475 3HD1 LEU 475 3.506 4.853 -7.221 19 HD21 LEU 475 3HD2 LEU 475 6.222 5.671 -10.421 20 HD22 LEU 475 1HD2 LEU 475 4.749 6.654 -10.212 21 HD23 LEU 475 2HD2 LEU 475 4.629 4.978 -10.770 22 H GLY 476 H GLY 476 6.616 9.791 -6.877 23 HA2 GLY 476 1HA GLY 476 6.656 9.710 -3.990 24 HA3 GLY 476 2HA GLY 476 8.263 9.388 -4.645 25 H SER 477 H SER 477 5.854 11.765 -4.025 26 HA SER 477 HA SER 477 6.746 13.936 -5.667 27 HB2 SER 477 1HB SER 477 5.128 15.232 -4.236 28 HB3 SER 477 2HB SER 477 4.476 13.786 -5.009 29 HG SER 477 HG SER 477 3.887 14.000 -2.787 30 H GLY 478 H GLY 478 8.954 12.911 -4.147 31 HA2 GLY 478 1HA GLY 478 10.790 14.586 -3.658 32 HA3 GLY 478 2HA GLY 478 9.774 15.151 -2.323 33 H ALA 479 H ALA 479 8.786 12.520 -1.631 34 HA ALA 479 HA ALA 479 9.145 11.036 0.018 35 HB1 ALA 479 1HB ALA 479 10.654 9.221 -0.574 36 HB2 ALA 479 2HB ALA 479 9.822 9.821 -2.019 37 HB3 ALA 479 3HB ALA 479 11.517 10.271 -1.720 38 H LEU 480 H LEU 480 10.264 13.592 0.644 39 HA LEU 480 HA LEU 480 12.816 13.314 1.998 40 HB2 LEU 480 1HB LEU 480 10.679 15.463 2.320 41 HB3 LEU 480 2HB LEU 480 12.373 15.569 2.796 42 HG LEU 480 HG LEU 480 11.387 15.364 -0.080 43 HD11 LEU 480 1HD1 LEU 480 10.779 17.497 1.024 44 HD12 LEU 480 2HD1 LEU 480 11.966 17.706 -0.269 45 HD13 LEU 480 3HD1 LEU 480 12.497 17.764 1.422 46 HD21 LEU 480 3HD2 LEU 480 13.704 16.017 -0.661 47 HD22 LEU 480 1HD2 LEU 480 13.668 14.459 0.173 48 HD23 LEU 480 2HD2 LEU 480 14.165 15.923 1.055 49 H LYS 481 H LYS 481 13.032 13.911 4.346 50 HA LYS 481 HA LYS 481 11.055 12.427 6.053 51 HB2 LYS 481 1HB LYS 481 13.251 11.297 5.699 52 HB3 LYS 481 2HB LYS 481 14.055 12.680 6.455 53 HG2 LYS 481 1HG LYS 481 12.555 12.257 8.504 54 HG3 LYS 481 2HG LYS 481 12.053 10.753 7.732 55 HD2 LYS 481 1HD LYS 481 14.928 11.515 8.426 56 HD3 LYS 481 2HD LYS 481 13.884 10.491 9.422 57 HE2 LYS 481 1HE LYS 481 13.730 8.823 7.624 58 HE3 LYS 481 2HE LYS 481 14.701 9.846 6.552 59 HZ1 LYS 481 3HZ LYS 481 15.669 8.693 9.115 60 HZ2 LYS 481 1HZ LYS 481 16.560 9.614 8.095 61 HZ3 LYS 481 2HZ LYS 481 16.053 8.135 7.629 62 H TRP 482 H TRP 482 9.852 13.845 7.041 63 HA TRP 482 HA TRP 482 11.051 16.129 8.549 64 HB2 TRP 482 1HB TRP 482 8.634 16.229 6.704 65 HB3 TRP 482 2HB TRP 482 9.073 17.482 7.842 66 HD1 TRP 482 HD1 TRP 482 10.445 15.822 4.679 67 HE1 TRP 482 HE1 TRP 482 11.862 17.522 3.366 68 HE3 TRP 482 HE3 TRP 482 10.256 19.768 7.941 69 HZ2 TRP 482 HZ2 TRP 482 12.780 20.201 3.674 70 HZ3 TRP 482 HZ3 TRP 482 11.387 21.906 7.388 71 HH2 TRP 482 HH2 TRP 482 12.658 22.142 5.264 72 H VAL 483 H VAL 483 9.638 17.011 10.150 73 HA VAL 483 HA VAL 483 7.485 15.229 11.182 74 HB VAL 483 HB VAL 483 8.279 15.915 13.508 75 HG11 VAL 483 1HG1 VAL 483 9.741 14.016 13.707 76 HG12 VAL 483 2HG1 VAL 483 8.441 13.622 12.580 77 HG13 VAL 483 3HG1 VAL 483 10.061 14.004 11.955 78 HG21 VAL 483 3HG2 VAL 483 10.941 16.369 12.082 79 HG22 VAL 483 1HG2 VAL 483 9.990 17.598 12.947 80 HG23 VAL 483 2HG2 VAL 483 10.701 16.236 13.824 81 H LEU 484 H LEU 484 5.680 16.221 11.609 82 HA LEU 484 HA LEU 484 5.515 19.178 11.461 83 HB2 LEU 484 1HB LEU 484 3.875 17.540 10.246 84 HB3 LEU 484 2HB LEU 484 3.249 17.178 11.846 85 HG LEU 484 HG LEU 484 2.737 19.643 12.143 86 HD11 LEU 484 1HD1 LEU 484 4.271 20.673 10.538 87 HD12 LEU 484 2HD1 LEU 484 2.615 21.036 10.066 88 HD13 LEU 484 3HD1 LEU 484 3.520 19.777 9.198 89 HD21 LEU 484 3HD2 LEU 484 1.015 18.034 11.404 90 HD22 LEU 484 1HD2 LEU 484 1.469 18.326 9.710 91 HD23 LEU 484 2HD2 LEU 484 0.769 19.634 10.687 92 H CYS 485 H CYS 485 5.191 20.410 13.324 93 HA CYS 485 HA CYS 485 5.424 19.119 15.917 94 HB2 CYS 485 1HB CYS 485 6.136 21.526 15.105 95 HB3 CYS 485 2HB CYS 485 4.460 21.935 15.490 96 HG CYS 485 HG CYS 485 6.125 22.582 17.466 97 H ASN 486 H ASN 486 3.800 19.348 17.652 98 HA ASN 486 HA ASN 486 0.962 19.727 16.786 99 HB2 ASN 486 1HB ASN 486 2.238 17.242 17.721 100 HB3 ASN 486 2HB ASN 486 0.927 17.732 18.785 101 HD21 ASN 486 2HD2 ASN 486 1.268 18.029 15.191 102 HD22 ASN 486 1HD2 ASN 486 -0.178 17.075 14.872 103 H TYR 487 H TYR 487 3.402 20.475 19.092 104 HA TYR 487 HA TYR 487 1.512 22.222 20.540 105 HB2 TYR 487 1HB TYR 487 3.413 20.319 21.981 106 HB3 TYR 487 2HB TYR 487 2.347 21.493 22.727 107 HD1 TYR 487 HD1 TYR 487 -0.141 21.112 22.771 108 HD2 TYR 487 HD2 TYR 487 2.597 18.159 21.229 109 HE1 TYR 487 HE1 TYR 487 -1.930 19.384 22.898 110 HE2 TYR 487 HE2 TYR 487 0.812 16.425 21.368 111 HH TYR 487 HH TYR 487 -2.485 17.212 22.522 112 H ASP 488 H ASP 488 2.496 24.217 20.896 113 HA ASP 488 HA ASP 488 5.154 24.727 19.916 114 HB2 ASP 488 1HB ASP 488 4.831 26.968 20.602 115 HB3 ASP 488 2HB ASP 488 3.298 26.397 19.961 116 H PHE 489 H PHE 489 7.018 25.473 21.044 117 HA PHE 489 HA PHE 489 7.313 24.933 23.934 118 HB2 PHE 489 1HB PHE 489 7.573 22.722 22.956 119 HB3 PHE 489 2HB PHE 489 8.720 23.325 21.776 120 HD1 PHE 489 HD1 PHE 489 8.217 22.739 25.438 121 HD2 PHE 489 HD2 PHE 489 11.064 23.387 22.259 122 HE1 PHE 489 HE1 PHE 489 10.076 22.098 26.962 123 HE2 PHE 489 HE2 PHE 489 12.899 22.663 23.762 124 HZ PHE 489 HZ PHE 489 12.422 22.073 26.124 125 H GLN 490 H GLN 490 8.411 26.624 24.655 126 HA GLN 490 HA GLN 490 10.176 28.251 22.993 127 HB2 GLN 490 1HB GLN 490 8.692 29.170 24.755 128 HB3 GLN 490 2HB GLN 490 9.615 28.297 25.988 129 HG2 GLN 490 1HG GLN 490 11.657 29.600 25.347 130 HG3 GLN 490 2HG GLN 490 10.713 30.459 24.125 131 HE21 GLN 490 2HE2 GLN 490 9.422 32.249 24.821 132 HE22 GLN 490 1HE2 GLN 490 9.336 32.731 26.512 133 H ALA 491 H ALA 491 12.293 27.972 22.715 134 HA ALA 491 HA ALA 491 14.051 26.722 24.735 135 HB1 ALA 491 1HB ALA 491 13.113 25.310 22.308 136 HB2 ALA 491 2HB ALA 491 14.866 25.365 22.527 137 HB3 ALA 491 3HB ALA 491 13.858 24.710 23.811 138 H ARG 492 H ARG 492 15.785 28.003 24.836 139 HA ARG 492 HA ARG 492 17.176 28.985 22.407 140 HB2 ARG 492 1HB ARG 492 16.097 30.843 24.582 141 HB3 ARG 492 2HB ARG 492 17.401 31.294 23.481 142 HG2 ARG 492 1HG ARG 492 15.873 30.777 21.537 143 HG3 ARG 492 2HG ARG 492 14.539 30.677 22.709 144 HD2 ARG 492 1HD ARG 492 14.957 32.976 23.438 145 HD3 ARG 492 2HD ARG 492 16.392 33.073 22.396 146 HE ARG 492 HE ARG 492 14.024 32.407 20.869 147 HH11 ARG 492 1HH1 ARG 492 15.653 35.179 22.291 148 HH12 ARG 492 2HH1 ARG 492 14.979 36.282 21.118 149 HH21 ARG 492 1HH2 ARG 492 13.209 33.876 19.414 150 HH22 ARG 492 2HH2 ARG 492 13.633 35.562 19.546 151 H ASN 493 H ASN 493 17.647 27.024 24.664 152 HA ASN 493 HA ASN 493 19.917 28.025 26.174 153 HB2 ASN 493 1HB ASN 493 18.303 26.034 26.705 154 HB3 ASN 493 2HB ASN 493 19.314 25.104 25.597 155 HD21 ASN 493 2HD2 ASN 493 20.820 23.909 26.762 156 HD22 ASN 493 1HD2 ASN 493 21.616 24.493 28.216 157 H SER 494 H SER 494 22.082 26.693 25.967 158 HA SER 494 HA SER 494 23.500 27.557 23.771 159 HB2 SER 494 1HB SER 494 24.393 26.783 25.958 160 HB3 SER 494 2HB SER 494 24.125 25.104 25.458 161 HG SER 494 HG SER 494 26.279 25.858 25.104 162 H SER 495 H SER 495 21.709 24.510 23.909 163 HA SER 495 HA SER 495 22.334 24.005 21.030 164 HB2 SER 495 1HB SER 495 22.331 21.879 23.207 165 HB3 SER 495 2HB SER 495 22.549 21.604 21.469 166 HG SER 495 HG SER 495 24.254 23.177 23.107 167 H GLU 496 H GLU 496 19.883 25.163 22.414 168 HA GLU 496 HA GLU 496 17.864 23.146 21.449 169 HB2 GLU 496 1HB GLU 496 17.637 24.998 23.845 170 HB3 GLU 496 2HB GLU 496 16.338 24.009 23.169 171 HG2 GLU 496 1HG GLU 496 17.435 21.962 23.716 172 HG3 GLU 496 2HG GLU 496 18.881 22.833 24.243 173 H LEU 497 H LEU 497 15.920 24.024 20.544 174 HA LEU 497 HA LEU 497 15.911 26.901 19.818 175 HB2 LEU 497 1HB LEU 497 17.263 25.619 18.124 176 HB3 LEU 497 2HB LEU 497 15.847 24.635 17.789 177 HG LEU 497 HG LEU 497 15.003 27.375 17.574 178 HD11 LEU 497 1HD1 LEU 497 17.355 28.024 17.412 179 HD12 LEU 497 2HD1 LEU 497 16.496 28.282 15.883 180 HD13 LEU 497 3HD1 LEU 497 17.587 26.892 16.062 181 HD21 LEU 497 3HD2 LEU 497 14.639 26.785 15.223 182 HD22 LEU 497 1HD2 LEU 497 14.081 25.502 16.309 183 HD23 LEU 497 2HD2 LEU 497 15.614 25.310 15.440 184 H SER 498 H SER 498 13.959 27.746 19.674 185 HA SER 498 HA SER 498 11.619 26.518 20.599 186 HB2 SER 498 1HB SER 498 12.211 28.968 20.573 187 HB3 SER 498 2HB SER 498 11.827 28.994 18.842 188 HG SER 498 HG SER 498 10.047 29.639 20.106 189 H VAL 499 H VAL 499 9.609 26.038 19.626 190 HA VAL 499 HA VAL 499 9.385 25.786 16.692 191 HB VAL 499 HB VAL 499 8.532 23.497 16.749 192 HG11 VAL 499 1HG1 VAL 499 10.922 23.899 16.201 193 HG12 VAL 499 2HG1 VAL 499 11.342 23.561 17.891 194 HG13 VAL 499 3HG1 VAL 499 10.610 22.296 16.887 195 HG21 VAL 499 3HG2 VAL 499 9.503 23.371 19.634 196 HG22 VAL 499 1HG2 VAL 499 7.810 23.274 19.090 197 HG23 VAL 499 2HG2 VAL 499 8.950 21.996 18.657 198 H LYS 500 H LYS 500 7.207 25.353 15.965 199 HA LYS 500 HA LYS 500 5.045 26.260 17.845 200 HB2 LYS 500 1HB LYS 500 5.476 27.210 14.978 201 HB3 LYS 500 2HB LYS 500 4.179 27.695 16.078 202 HG2 LYS 500 1HG LYS 500 5.961 28.641 17.626 203 HG3 LYS 500 2HG LYS 500 7.150 28.320 16.342 204 HD2 LYS 500 1HD LYS 500 5.789 29.742 14.782 205 HD3 LYS 500 2HD LYS 500 4.692 30.109 16.136 206 HE2 LYS 500 1HE LYS 500 6.680 30.996 17.418 207 HE3 LYS 500 2HE LYS 500 7.678 30.738 15.983 208 HZ1 LYS 500 3HZ LYS 500 6.881 33.027 16.089 209 HZ2 LYS 500 1HZ LYS 500 5.321 32.549 16.129 210 HZ3 LYS 500 2HZ LYS 500 6.218 32.301 14.784 211 H GLN 501 H GLN 501 2.936 25.577 17.300 212 HA GLN 501 HA GLN 501 2.683 22.902 16.492 213 HB2 GLN 501 1HB GLN 501 1.191 24.120 18.018 214 HB3 GLN 501 2HB GLN 501 0.569 25.086 16.670 215 HG2 GLN 501 1HG GLN 501 -0.376 23.057 15.630 216 HG3 GLN 501 2HG GLN 501 0.301 22.056 16.914 217 HE21 GLN 501 2HE2 GLN 501 -2.479 22.095 16.224 218 HE22 GLN 501 1HE2 GLN 501 -3.348 22.796 17.584 219 H ARG 502 H ARG 502 2.596 25.730 14.488 220 HA ARG 502 HA ARG 502 1.590 24.194 12.132 221 HB2 ARG 502 1HB ARG 502 0.930 26.346 11.195 222 HB3 ARG 502 2HB ARG 502 0.156 26.046 12.742 223 HG2 ARG 502 1HG ARG 502 1.519 27.619 13.897 224 HG3 ARG 502 2HG ARG 502 2.690 27.735 12.578 225 HD2 ARG 502 1HD ARG 502 -0.214 28.616 12.354 226 HD3 ARG 502 2HD ARG 502 1.125 29.701 12.772 227 HE ARG 502 HE ARG 502 1.999 28.527 10.440 228 HH11 ARG 502 1HH1 ARG 502 -0.922 30.326 11.181 229 HH12 ARG 502 2HH1 ARG 502 -1.095 30.884 9.534 230 HH21 ARG 502 1HH2 ARG 502 1.724 29.278 8.379 231 HH22 ARG 502 2HH2 ARG 502 0.370 30.309 7.997 232 H ASP 503 H ASP 503 4.419 24.317 13.191 233 HA ASP 503 HA ASP 503 5.749 25.183 10.650 234 HB2 ASP 503 1HB ASP 503 6.207 26.657 12.608 235 HB3 ASP 503 2HB ASP 503 6.884 25.271 13.466 236 H VAL 504 H VAL 504 6.565 23.572 9.531 237 HA VAL 504 HA VAL 504 6.984 20.907 10.731 238 HB VAL 504 HB VAL 504 5.777 21.299 8.550 239 HG11 VAL 504 1HG1 VAL 504 7.020 21.526 6.492 240 HG12 VAL 504 2HG1 VAL 504 7.346 22.937 7.512 241 HG13 VAL 504 3HG1 VAL 504 8.553 21.647 7.362 242 HG21 VAL 504 3HG2 VAL 504 6.578 19.090 9.263 243 HG22 VAL 504 1HG2 VAL 504 6.653 19.284 7.510 244 HG23 VAL 504 2HG2 VAL 504 8.140 19.388 8.476 245 H LEU 505 H LEU 505 8.942 19.878 10.944 246 HA LEU 505 HA LEU 505 11.436 21.491 10.528 247 HB2 LEU 505 1HB LEU 505 10.423 19.923 12.927 248 HB3 LEU 505 2HB LEU 505 12.127 20.079 12.640 249 HG LEU 505 HG LEU 505 11.478 21.640 14.285 250 HD11 LEU 505 1HD1 LEU 505 12.036 23.220 11.751 251 HD12 LEU 505 2HD1 LEU 505 13.256 22.326 12.691 252 HD13 LEU 505 3HD1 LEU 505 12.398 23.692 13.421 253 HD21 LEU 505 3HD2 LEU 505 9.102 21.966 13.646 254 HD22 LEU 505 1HD2 LEU 505 9.638 23.035 12.330 255 HD23 LEU 505 2HD2 LEU 505 9.964 23.473 14.005 256 H GLU 506 H GLU 506 13.363 20.352 10.148 257 HA GLU 506 HA GLU 506 12.955 17.706 8.821 258 HB2 GLU 506 1HB GLU 506 13.777 19.552 7.426 259 HB3 GLU 506 2HB GLU 506 15.152 19.784 8.515 260 HG2 GLU 506 1HG GLU 506 15.962 17.502 7.977 261 HG3 GLU 506 2HG GLU 506 14.530 17.225 6.981 262 H VAL 507 H VAL 507 13.299 16.099 10.254 263 HA VAL 507 HA VAL 507 15.095 16.215 12.484 264 HB VAL 507 HB VAL 507 13.193 14.744 12.478 265 HG11 VAL 507 1HG1 VAL 507 13.100 12.655 11.224 266 HG12 VAL 507 2HG1 VAL 507 13.123 14.030 10.115 267 HG13 VAL 507 3HG1 VAL 507 14.596 13.067 10.365 268 HG21 VAL 507 3HG2 VAL 507 15.766 13.117 12.621 269 HG22 VAL 507 1HG2 VAL 507 15.129 14.172 13.908 270 HG23 VAL 507 2HG2 VAL 507 14.229 12.738 13.393 271 H LEU 508 H LEU 508 17.074 15.599 12.830 272 HA LEU 508 HA LEU 508 18.838 14.744 10.552 273 HB2 LEU 508 1HB LEU 508 19.458 16.497 12.959 274 HB3 LEU 508 2HB LEU 508 20.588 16.061 11.682 275 HG LEU 508 HG LEU 508 18.111 17.806 11.324 276 HD11 LEU 508 1HD1 LEU 508 21.086 18.422 11.599 277 HD12 LEU 508 2HD1 LEU 508 19.755 18.899 12.685 278 HD13 LEU 508 3HD1 LEU 508 19.867 19.597 11.073 279 HD21 LEU 508 3HD2 LEU 508 18.700 16.634 9.223 280 HD22 LEU 508 1HD2 LEU 508 20.386 17.180 9.387 281 HD23 LEU 508 2HD2 LEU 508 19.079 18.356 9.125 282 H ASP 509 H ASP 509 18.046 14.326 13.995 283 HA ASP 509 HA ASP 509 19.334 11.699 13.983 284 HB2 ASP 509 1HB ASP 509 21.146 13.307 14.709 285 HB3 ASP 509 2HB ASP 509 20.131 13.769 16.076 286 H ASP 510 H ASP 510 18.414 10.305 15.404 287 HA ASP 510 HA ASP 510 16.210 11.197 17.198 288 HB2 ASP 510 1HB ASP 510 14.771 9.445 16.222 289 HB3 ASP 510 2HB ASP 510 15.204 10.692 15.067 290 H SER 511 H SER 511 19.028 10.083 17.601 291 HA SER 511 HA SER 511 19.004 7.382 18.442 292 HB2 SER 511 1HB SER 511 20.996 8.805 17.963 293 HB3 SER 511 2HB SER 511 20.713 9.676 19.482 294 HG SER 511 HG SER 511 22.256 7.984 19.673 295 H ARG 512 H ARG 512 18.005 10.256 20.196 296 HA ARG 512 HA ARG 512 17.099 8.671 22.560 297 HB2 ARG 512 1HB ARG 512 18.628 11.328 22.603 298 HB3 ARG 512 2HB ARG 512 17.936 10.525 24.016 299 HG2 ARG 512 1HG ARG 512 19.415 8.564 23.616 300 HG3 ARG 512 2HG ARG 512 20.197 9.421 22.285 301 HD2 ARG 512 1HD ARG 512 20.096 10.467 25.142 302 HD3 ARG 512 2HD ARG 512 21.433 9.520 24.467 303 HE ARG 512 HE ARG 512 20.963 11.711 22.718 304 HH11 ARG 512 1HH1 ARG 512 22.226 11.213 25.952 305 HH12 ARG 512 2HH1 ARG 512 23.272 12.609 25.853 306 HH21 ARG 512 1HH2 ARG 512 22.315 13.474 22.662 307 HH22 ARG 512 2HH2 ARG 512 23.315 13.846 24.041 308 H LYS 513 H LYS 513 15.660 10.076 23.986 309 HA LYS 513 HA LYS 513 13.365 10.941 22.586 310 HB2 LYS 513 1HB LYS 513 12.522 11.748 24.678 311 HB3 LYS 513 2HB LYS 513 13.304 10.193 24.895 312 HG2 LYS 513 1HG LYS 513 14.808 11.018 26.393 313 HG3 LYS 513 2HG LYS 513 15.202 12.385 25.376 314 HD2 LYS 513 1HD LYS 513 14.352 13.482 27.164 315 HD3 LYS 513 2HD LYS 513 12.909 13.395 26.169 316 HE2 LYS 513 1HE LYS 513 13.648 11.534 28.491 317 HE3 LYS 513 2HE LYS 513 12.550 12.907 28.600 318 HZ1 LYS 513 3HZ LYS 513 11.070 11.775 27.019 319 HZ2 LYS 513 1HZ LYS 513 11.310 10.876 28.357 320 HZ3 LYS 513 2HZ LYS 513 12.071 10.465 26.978 321 H TRP 514 H TRP 514 16.169 12.876 23.368 322 HA TRP 514 HA TRP 514 14.923 15.379 22.398 323 HB2 TRP 514 1HB TRP 514 17.740 14.706 23.296 324 HB3 TRP 514 2HB TRP 514 17.237 16.265 22.682 325 HD1 TRP 514 HD1 TRP 514 17.027 14.113 25.794 326 HE1 TRP 514 HE1 TRP 514 16.043 15.479 27.738 327 HE3 TRP 514 HE3 TRP 514 15.638 18.303 23.213 328 HZ2 TRP 514 HZ2 TRP 514 14.736 18.034 28.103 329 HZ3 TRP 514 HZ3 TRP 514 14.548 20.208 24.382 330 HH2 TRP 514 HH2 TRP 514 14.084 20.079 26.821 331 H TRP 515 H TRP 515 14.325 14.916 20.297 332 HA TRP 515 HA TRP 515 16.175 13.834 18.294 333 HB2 TRP 515 1HB TRP 515 13.453 15.175 18.150 334 HB3 TRP 515 2HB TRP 515 14.400 14.803 16.719 335 HD1 TRP 515 HD1 TRP 515 14.398 12.284 19.542 336 HE1 TRP 515 HE1 TRP 515 13.268 10.122 18.804 337 HE3 TRP 515 HE3 TRP 515 12.512 13.898 15.070 338 HZ2 TRP 515 HZ2 TRP 515 11.676 9.216 16.568 339 HZ3 TRP 515 HZ3 TRP 515 11.270 12.316 13.605 340 HH2 TRP 515 HH2 TRP 515 10.818 9.996 14.350 341 H LYS 516 H LYS 516 17.275 14.943 16.759 342 HA LYS 516 HA LYS 516 17.746 17.883 17.206 343 HB2 LYS 516 1HB LYS 516 19.717 16.264 17.201 344 HB3 LYS 516 2HB LYS 516 19.374 15.954 15.496 345 HG2 LYS 516 1HG LYS 516 19.664 18.359 15.001 346 HG3 LYS 516 2HG LYS 516 19.967 18.697 16.712 347 HD2 LYS 516 1HD LYS 516 22.023 17.369 16.654 348 HD3 LYS 516 2HD LYS 516 21.680 16.849 14.985 349 HE2 LYS 516 1HE LYS 516 21.741 19.209 14.230 350 HE3 LYS 516 2HE LYS 516 22.095 19.743 15.879 351 HZ1 LYS 516 3HZ LYS 516 24.208 18.582 15.759 352 HZ2 LYS 516 1HZ LYS 516 24.068 19.565 14.449 353 HZ3 LYS 516 2HZ LYS 516 23.860 17.953 14.286 354 H VAL 517 H VAL 517 17.097 19.315 15.727 355 HA VAL 517 HA VAL 517 16.174 18.398 13.036 356 HB VAL 517 HB VAL 517 14.284 19.939 13.167 357 HG11 VAL 517 1HG1 VAL 517 12.798 18.572 14.582 358 HG12 VAL 517 2HG1 VAL 517 13.857 17.579 13.586 359 HG13 VAL 517 3HG1 VAL 517 14.205 17.787 15.318 360 HG21 VAL 517 3HG2 VAL 517 14.991 21.472 14.960 361 HG22 VAL 517 1HG2 VAL 517 13.427 20.745 15.339 362 HG23 VAL 517 2HG2 VAL 517 14.887 20.153 16.144 363 H ARG 518 H ARG 518 16.125 19.965 11.409 364 HA ARG 518 HA ARG 518 17.761 22.429 11.860 365 HB2 ARG 518 1HB ARG 518 18.323 20.605 9.989 366 HB3 ARG 518 2HB ARG 518 17.020 21.389 9.116 367 HG2 ARG 518 1HG ARG 518 18.267 23.620 9.610 368 HG3 ARG 518 2HG ARG 518 19.630 22.578 10.070 369 HD2 ARG 518 1HD ARG 518 19.307 21.439 7.777 370 HD3 ARG 518 2HD ARG 518 18.210 22.781 7.391 371 HE ARG 518 HE ARG 518 20.940 23.415 8.363 372 HH11 ARG 518 1HH1 ARG 518 18.855 23.294 5.537 373 HH12 ARG 518 2HH1 ARG 518 19.992 24.182 4.553 374 HH21 ARG 518 1HH2 ARG 518 22.346 24.500 7.036 375 HH22 ARG 518 2HH2 ARG 518 21.913 24.829 5.378 376 H ASP 519 H ASP 519 16.737 24.242 11.874 377 HA ASP 519 HA ASP 519 13.929 24.594 11.021 378 HB2 ASP 519 1HB ASP 519 14.316 26.936 11.860 379 HB3 ASP 519 2HB ASP 519 14.553 25.664 13.048 380 HA PRO 520 HA PRO 520 14.855 26.206 7.011 381 HB2 PRO 520 1HB PRO 520 12.950 28.146 6.587 382 HB3 PRO 520 2HB PRO 520 12.619 26.390 6.654 383 HG2 PRO 520 1HG PRO 520 12.339 28.408 8.901 384 HG3 PRO 520 2HG PRO 520 11.133 27.199 8.341 385 HD2 PRO 520 1HD PRO 520 12.723 26.692 10.454 386 HD3 PRO 520 2HD PRO 520 12.372 25.404 9.270 387 H ALA 521 H ALA 521 15.374 28.310 9.693 388 HA ALA 521 HA ALA 521 16.606 30.490 8.140 389 HB1 ALA 521 1HB ALA 521 17.508 31.125 10.443 390 HB2 ALA 521 2HB ALA 521 15.740 31.145 10.266 391 HB3 ALA 521 3HB ALA 521 16.544 29.810 11.110 392 H GLY 522 H GLY 522 17.528 27.297 9.149 393 HA2 GLY 522 1HA GLY 522 19.374 26.158 8.233 394 HA3 GLY 522 2HA GLY 522 20.221 27.686 7.961 395 H GLN 523 H GLN 523 18.774 27.361 11.089 396 HA GLN 523 HA GLN 523 21.402 26.738 12.369 397 HB2 GLN 523 1HB GLN 523 18.892 27.793 13.713 398 HB3 GLN 523 2HB GLN 523 20.503 27.641 14.384 399 HG2 GLN 523 1HG GLN 523 21.032 29.325 12.277 400 HG3 GLN 523 2HG GLN 523 19.338 29.687 12.524 401 HE21 GLN 523 2HE2 GLN 523 19.350 31.702 13.572 402 HE22 GLN 523 1HE2 GLN 523 20.318 32.037 15.004 403 H GLU 524 H GLU 524 20.702 25.557 14.667 404 HA GLU 524 HA GLU 524 18.928 23.231 14.138 405 HB2 GLU 524 1HB GLU 524 21.884 23.118 14.838 406 HB3 GLU 524 2HB GLU 524 20.799 21.796 15.225 407 HG2 GLU 524 1HG GLU 524 20.805 20.971 13.171 408 HG3 GLU 524 2HG GLU 524 20.531 22.516 12.401 409 H GLY 525 H GLY 525 18.320 22.068 16.042 410 HA2 GLY 525 1HA GLY 525 19.456 22.692 18.607 411 HA3 GLY 525 2HA GLY 525 17.835 23.376 18.479 412 H TYR 526 H TYR 526 18.768 21.329 20.273 413 HA TYR 526 HA TYR 526 17.342 18.872 19.538 414 HB2 TYR 526 1HB TYR 526 18.614 19.877 22.110 415 HB3 TYR 526 2HB TYR 526 17.772 18.347 21.974 416 HD1 TYR 526 HD1 TYR 526 18.550 16.720 20.045 417 HD2 TYR 526 HD2 TYR 526 20.955 19.898 21.687 418 HE1 TYR 526 HE1 TYR 526 20.610 15.611 19.187 419 HE2 TYR 526 HE2 TYR 526 23.009 18.805 20.806 420 HH TYR 526 HH TYR 526 23.859 17.038 19.656 421 H VAL 527 H VAL 527 15.354 18.258 20.186 422 HA VAL 527 HA VAL 527 13.699 19.827 22.061 423 HB VAL 527 HB VAL 527 11.768 19.601 20.308 424 HG11 VAL 527 1HG1 VAL 527 12.082 21.860 19.550 425 HG12 VAL 527 2HG1 VAL 527 12.606 21.728 21.233 426 HG13 VAL 527 3HG1 VAL 527 13.813 21.803 19.932 427 HG21 VAL 527 3HG2 VAL 527 13.138 18.420 18.563 428 HG22 VAL 527 1HG2 VAL 527 12.352 19.906 17.984 429 HG23 VAL 527 2HG2 VAL 527 14.084 19.905 18.359 430 HA PRO 528 HA PRO 528 12.393 15.728 23.009 431 HB2 PRO 528 1HB PRO 528 9.905 16.061 24.120 432 HB3 PRO 528 2HB PRO 528 11.426 16.553 24.921 433 HG2 PRO 528 1HG PRO 528 9.499 18.286 23.359 434 HG3 PRO 528 2HG PRO 528 10.271 18.627 24.937 435 HD2 PRO 528 1HD PRO 528 11.238 19.623 22.580 436 HD3 PRO 528 2HD PRO 528 12.314 19.169 23.931 437 H TYR 529 H TYR 529 11.606 14.059 21.784 438 HA TYR 529 HA TYR 529 10.177 14.426 19.385 439 HB2 TYR 529 1HB TYR 529 10.259 12.158 19.116 440 HB3 TYR 529 2HB TYR 529 11.608 12.424 20.202 441 HD1 TYR 529 HD2 TYR 529 11.083 12.109 22.798 442 HD2 TYR 529 HD1 TYR 529 8.650 10.545 19.592 443 HE1 TYR 529 HE2 TYR 529 10.067 10.471 24.370 444 HE2 TYR 529 HE1 TYR 529 7.635 8.901 21.170 445 HH TYR 529 HH TYR 529 8.601 8.793 24.622 446 H ASN 530 H ASN 530 8.872 14.153 22.613 447 HA ASN 530 HA ASN 530 6.309 13.116 22.117 448 HB2 ASN 530 1HB ASN 530 7.367 13.329 24.329 449 HB3 ASN 530 2HB ASN 530 7.290 15.092 24.228 450 HD21 ASN 530 2HD2 ASN 530 5.579 15.955 25.372 451 HD22 ASN 530 1HD2 ASN 530 4.062 15.113 25.649 452 H ILE 531 H ILE 531 7.378 16.532 21.848 453 HA ILE 531 HA ILE 531 4.634 17.453 21.308 454 HB ILE 531 HB ILE 531 5.553 19.647 21.012 455 HG12 ILE 531 1HG1 ILE 531 8.307 18.402 21.311 456 HG13 ILE 531 2HG1 ILE 531 7.643 19.105 19.833 457 HG21 ILE 531 1HG2 ILE 531 6.264 20.045 23.277 458 HG22 ILE 531 2HG2 ILE 531 5.097 18.722 23.299 459 HG23 ILE 531 3HG2 ILE 531 6.834 18.373 23.464 460 HD11 ILE 531 3HD1 ILE 531 9.141 20.685 20.802 461 HD12 ILE 531 1HD1 ILE 531 7.480 21.296 21.005 462 HD13 ILE 531 2HD1 ILE 531 8.354 20.566 22.382 463 H LEU 532 H LEU 532 7.161 16.147 19.450 464 HA LEU 532 HA LEU 532 6.284 17.312 16.870 465 HB2 LEU 532 1HB LEU 532 8.474 15.293 17.507 466 HB3 LEU 532 2HB LEU 532 8.206 16.084 15.959 467 HG LEU 532 HG LEU 532 9.089 17.475 18.530 468 HD11 LEU 532 1HD1 LEU 532 10.818 16.028 17.524 469 HD12 LEU 532 2HD1 LEU 532 11.224 17.744 17.385 470 HD13 LEU 532 3HD1 LEU 532 10.613 16.872 15.973 471 HD21 LEU 532 3HD2 LEU 532 7.799 19.035 17.139 472 HD22 LEU 532 1HD2 LEU 532 8.756 18.582 15.707 473 HD23 LEU 532 2HD2 LEU 532 9.517 19.431 17.071 474 H THR 533 H THR 533 5.850 15.835 15.084 475 HA THR 533 HA THR 533 5.032 13.060 15.675 476 HB THR 533 HB THR 533 2.913 13.477 14.252 477 HG1 THR 533 HG1 THR 533 3.797 15.994 14.441 478 HG21 THR 533 3HG2 THR 533 1.516 13.986 16.143 479 HG22 THR 533 1HG2 THR 533 2.884 14.669 17.044 480 HG23 THR 533 2HG2 THR 533 2.839 12.931 16.669 481 HA PRO 534 HA PRO 534 6.670 12.548 11.513 482 HB2 PRO 534 1HB PRO 534 5.104 10.528 10.484 483 HB3 PRO 534 2HB PRO 534 6.416 10.269 11.674 484 HG2 PRO 534 1HG PRO 534 3.446 10.552 12.214 485 HG3 PRO 534 2HG PRO 534 4.571 9.304 12.839 486 HD2 PRO 534 1HD PRO 534 3.897 11.465 14.322 487 HD3 PRO 534 2HD PRO 534 5.570 10.835 14.346 488 H TYR 535 H TYR 535 6.110 13.047 9.318 489 HA TYR 535 HA TYR 535 3.461 14.379 8.948 490 HB2 TYR 535 1HB TYR 535 5.317 15.976 9.220 491 HB3 TYR 535 2HB TYR 535 6.113 15.285 7.820 492 HD1 TYR 535 HD2 TYR 535 2.511 16.286 8.540 493 HD2 TYR 535 HD1 TYR 535 6.000 16.827 6.047 494 HE1 TYR 535 HE2 TYR 535 1.229 17.824 7.075 495 HE2 TYR 535 HE1 TYR 535 4.714 18.383 4.596 496 HH TYR 535 HH TYR 535 2.704 19.382 4.211 497 HA PRO 536 HA PRO 536 3.914 10.959 5.843 498 HB2 PRO 536 1HB PRO 536 1.494 9.754 6.211 499 HB3 PRO 536 2HB PRO 536 2.897 9.443 7.278 500 HG2 PRO 536 1HG PRO 536 0.589 11.356 7.754 501 HG3 PRO 536 2HG PRO 536 1.269 10.139 8.880 502 HD2 PRO 536 1HD PRO 536 1.998 12.777 8.964 503 HD3 PRO 536 2HD PRO 536 3.153 11.459 9.320 504 H ALA 537 H ALA 537 3.055 10.915 3.786 505 HA ALA 537 HA ALA 537 0.635 12.402 3.047 506 HB1 ALA 537 1HB ALA 537 1.834 13.795 1.375 507 HB2 ALA 537 2HB ALA 537 2.379 14.167 3.020 508 HB3 ALA 537 3HB ALA 537 3.390 13.165 1.956 509 H ALA 538 H ALA 538 -0.061 11.929 0.883 510 HA ALA 538 HA ALA 538 0.960 9.328 -0.184 511 HB1 ALA 538 1HB ALA 538 -1.305 9.091 -1.112 512 HB2 ALA 538 2HB ALA 538 -1.350 9.323 0.647 513 HB3 ALA 538 3HB ALA 538 -1.764 10.671 -0.438 514 H ALA 539 H ALA 539 2.037 9.348 -2.049 515 HA ALA 539 HA ALA 539 2.454 11.738 -3.598 516 HB1 ALA 539 1HB ALA 539 4.156 9.978 -3.264 517 HB2 ALA 539 2HB ALA 539 3.158 8.828 -4.189 518 HB3 ALA 539 3HB ALA 539 3.845 10.258 -4.989 519 H SER 540 H SER 540 0.073 9.214 -3.858 520 HA SER 540 HA SER 540 -1.273 10.514 -6.118 521 HB2 SER 540 1HB SER 540 0.407 8.915 -7.146 522 HB3 SER 540 2HB SER 540 -0.453 7.586 -6.350 523 HG SER 540 HG SER 540 -2.349 8.258 -7.485 Start of MODEL 10 1 H1 GLY 473 H GLY 473 -5.565 5.654 -3.556 2 HA2 GLY 473 1HA GLY 473 -5.044 8.277 -3.605 3 HA3 GLY 473 2HA GLY 473 -4.905 7.887 -1.882 4 HA PRO 474 HA PRO 474 -0.978 6.892 -4.319 5 HB2 PRO 474 1HB PRO 474 0.786 8.535 -2.998 6 HB3 PRO 474 2HB PRO 474 -0.227 9.062 -4.375 7 HG2 PRO 474 1HG PRO 474 -0.767 9.440 -1.417 8 HG3 PRO 474 2HG PRO 474 -0.885 10.653 -2.731 9 HD2 PRO 474 1HD PRO 474 -3.067 9.324 -1.785 10 HD3 PRO 474 2HD PRO 474 -2.910 9.739 -3.519 11 H LEU 475 H LEU 475 0.143 5.136 -3.739 12 HA LEU 475 HA LEU 475 0.292 4.338 -0.879 13 HB2 LEU 475 1HB LEU 475 -0.980 2.911 -2.497 14 HB3 LEU 475 2HB LEU 475 0.525 2.604 -3.359 15 HG LEU 475 HG LEU 475 1.452 1.500 -1.301 16 HD11 LEU 475 1HD1 LEU 475 0.203 2.641 0.474 17 HD12 LEU 475 2HD1 LEU 475 -0.089 0.906 0.545 18 HD13 LEU 475 3HD1 LEU 475 -1.327 1.979 -0.148 19 HD21 LEU 475 3HD2 LEU 475 0.073 -0.503 -1.408 20 HD22 LEU 475 1HD2 LEU 475 0.285 0.184 -3.026 21 HD23 LEU 475 2HD2 LEU 475 -1.253 0.415 -2.161 22 H GLY 476 H GLY 476 1.977 6.206 -1.298 23 HA2 GLY 476 1HA GLY 476 4.370 5.741 -0.316 24 HA3 GLY 476 2HA GLY 476 4.703 5.212 -1.967 25 H SER 477 H SER 477 5.762 7.492 -0.384 26 HA SER 477 HA SER 477 5.658 9.509 -2.508 27 HB2 SER 477 1HB SER 477 5.065 11.370 -1.000 28 HB3 SER 477 2HB SER 477 3.746 10.210 -1.181 29 HG SER 477 HG SER 477 4.004 10.791 0.985 30 H GLY 478 H GLY 478 7.312 11.138 -2.297 31 HA2 GLY 478 1HA GLY 478 9.756 10.043 -1.001 32 HA3 GLY 478 2HA GLY 478 9.684 11.204 -2.319 33 H ALA 479 H ALA 479 10.473 10.898 0.843 34 HA ALA 479 HA ALA 479 10.497 13.797 1.332 35 HB1 ALA 479 1HB ALA 479 8.256 13.110 2.151 36 HB2 ALA 479 2HB ALA 479 8.999 11.854 3.162 37 HB3 ALA 479 3HB ALA 479 9.297 13.569 3.502 38 H LEU 480 H LEU 480 11.892 14.422 2.992 39 HA LEU 480 HA LEU 480 14.055 12.576 3.772 40 HB2 LEU 480 1HB LEU 480 13.594 15.564 4.075 41 HB3 LEU 480 2HB LEU 480 15.029 14.770 4.677 42 HG LEU 480 HG LEU 480 14.231 14.725 1.739 43 HD11 LEU 480 1HD1 LEU 480 16.237 16.485 3.207 44 HD12 LEU 480 2HD1 LEU 480 14.711 17.020 2.469 45 HD13 LEU 480 3HD1 LEU 480 16.016 16.403 1.444 46 HD21 LEU 480 3HD2 LEU 480 16.592 14.048 1.405 47 HD22 LEU 480 1HD2 LEU 480 15.734 12.864 2.394 48 HD23 LEU 480 2HD2 LEU 480 16.840 14.022 3.165 49 H LYS 481 H LYS 481 11.695 11.807 4.917 50 HA LYS 481 HA LYS 481 10.456 11.458 6.828 51 HB2 LYS 481 1HB LYS 481 13.300 11.408 7.900 52 HB3 LYS 481 2HB LYS 481 11.934 10.862 8.851 53 HG2 LYS 481 1HG LYS 481 12.349 9.593 6.141 54 HG3 LYS 481 2HG LYS 481 13.443 9.198 7.459 55 HD2 LYS 481 1HD LYS 481 11.748 7.538 7.447 56 HD3 LYS 481 2HD LYS 481 11.525 8.527 8.891 57 HE2 LYS 481 1HE LYS 481 9.678 9.755 7.760 58 HE3 LYS 481 2HE LYS 481 9.934 8.784 6.297 59 HZ1 LYS 481 3HZ LYS 481 8.133 7.872 7.628 60 HZ2 LYS 481 1HZ LYS 481 9.086 7.726 8.946 61 HZ3 LYS 481 2HZ LYS 481 9.365 6.803 7.625 62 H TRP 482 H TRP 482 10.341 14.112 6.204 63 HA TRP 482 HA TRP 482 10.856 15.981 8.259 64 HB2 TRP 482 1HB TRP 482 8.543 15.836 6.298 65 HB3 TRP 482 2HB TRP 482 8.865 17.210 7.340 66 HD1 TRP 482 HD1 TRP 482 10.427 15.332 4.402 67 HE1 TRP 482 HE1 TRP 482 11.900 16.955 3.035 68 HE3 TRP 482 HE3 TRP 482 10.181 19.430 7.452 69 HZ2 TRP 482 HZ2 TRP 482 13.021 19.566 3.364 70 HZ3 TRP 482 HZ3 TRP 482 11.442 21.496 6.890 71 HH2 TRP 482 HH2 TRP 482 12.876 21.576 4.859 72 H VAL 483 H VAL 483 9.632 16.867 9.893 73 HA VAL 483 HA VAL 483 7.376 15.253 10.987 74 HB VAL 483 HB VAL 483 8.230 15.792 13.276 75 HG11 VAL 483 1HG1 VAL 483 9.739 13.919 13.381 76 HG12 VAL 483 2HG1 VAL 483 8.433 13.552 12.245 77 HG13 VAL 483 3HG1 VAL 483 10.044 13.990 11.631 78 HG21 VAL 483 3HG2 VAL 483 9.899 17.543 12.783 79 HG22 VAL 483 1HG2 VAL 483 10.653 16.165 13.592 80 HG23 VAL 483 2HG2 VAL 483 10.872 16.381 11.855 81 H LEU 484 H LEU 484 5.744 16.328 11.812 82 HA LEU 484 HA LEU 484 5.736 19.296 11.510 83 HB2 LEU 484 1HB LEU 484 4.106 17.895 10.153 84 HB3 LEU 484 2HB LEU 484 3.387 17.361 11.665 85 HG LEU 484 HG LEU 484 2.759 19.704 12.212 86 HD11 LEU 484 1HD1 LEU 484 3.954 20.360 9.488 87 HD12 LEU 484 2HD1 LEU 484 4.486 21.010 11.060 88 HD13 LEU 484 3HD1 LEU 484 2.908 21.446 10.420 89 HD21 LEU 484 3HD2 LEU 484 1.200 18.282 10.943 90 HD22 LEU 484 1HD2 LEU 484 1.927 18.828 9.415 91 HD23 LEU 484 2HD2 LEU 484 1.054 19.976 10.450 92 H CYS 485 H CYS 485 5.827 20.427 13.375 93 HA CYS 485 HA CYS 485 5.652 19.280 16.012 94 HB2 CYS 485 1HB CYS 485 5.699 22.039 14.776 95 HB3 CYS 485 2HB CYS 485 5.229 21.900 16.462 96 HG CYS 485 HG CYS 485 7.327 20.609 17.285 97 H ASN 486 H ASN 486 3.985 19.140 17.449 98 HA ASN 486 HA ASN 486 1.240 19.954 16.539 99 HB2 ASN 486 1HB ASN 486 2.321 17.387 17.564 100 HB3 ASN 486 2HB ASN 486 0.940 17.960 18.477 101 HD21 ASN 486 2HD2 ASN 486 -0.025 15.939 17.631 102 HD22 ASN 486 1HD2 ASN 486 -0.805 16.030 16.060 103 H TYR 487 H TYR 487 3.615 20.637 18.844 104 HA TYR 487 HA TYR 487 1.748 22.364 20.344 105 HB2 TYR 487 1HB TYR 487 3.688 20.461 21.723 106 HB3 TYR 487 2HB TYR 487 2.627 21.620 22.501 107 HD1 TYR 487 HD1 TYR 487 0.172 21.197 22.659 108 HD2 TYR 487 HD2 TYR 487 2.848 18.321 20.876 109 HE1 TYR 487 HE1 TYR 487 -1.604 19.447 22.791 110 HE2 TYR 487 HE2 TYR 487 1.087 16.575 21.023 111 HH TYR 487 HH TYR 487 -1.063 16.108 21.623 112 H ASP 488 H ASP 488 2.807 24.222 21.189 113 HA ASP 488 HA ASP 488 5.377 24.924 19.989 114 HB2 ASP 488 1HB ASP 488 5.057 27.068 20.898 115 HB3 ASP 488 2HB ASP 488 3.483 26.544 20.318 116 H PHE 489 H PHE 489 7.227 25.714 21.209 117 HA PHE 489 HA PHE 489 7.678 24.987 23.968 118 HB2 PHE 489 1HB PHE 489 7.821 22.745 22.979 119 HB3 PHE 489 2HB PHE 489 8.969 23.305 21.786 120 HD1 PHE 489 HD2 PHE 489 8.477 22.803 25.468 121 HD2 PHE 489 HD1 PHE 489 11.313 23.248 22.249 122 HE1 PHE 489 HE2 PHE 489 10.321 22.119 26.991 123 HE2 PHE 489 HE1 PHE 489 13.144 22.528 23.766 124 HZ PHE 489 HZ PHE 489 12.659 21.988 26.137 125 H GLN 490 H GLN 490 8.505 26.978 24.332 126 HA GLN 490 HA GLN 490 10.481 28.281 22.605 127 HB2 GLN 490 1HB GLN 490 9.345 28.792 25.362 128 HB3 GLN 490 2HB GLN 490 10.769 29.673 24.770 129 HG2 GLN 490 1HG GLN 490 9.411 30.366 22.746 130 HG3 GLN 490 2HG GLN 490 7.995 29.647 23.520 131 HE21 GLN 490 2HE2 GLN 490 6.747 31.198 24.614 132 HE22 GLN 490 1HE2 GLN 490 7.419 32.652 25.344 133 H ALA 491 H ALA 491 12.594 27.866 22.542 134 HA ALA 491 HA ALA 491 14.057 26.740 24.849 135 HB1 ALA 491 1HB ALA 491 14.408 25.292 22.276 136 HB2 ALA 491 2HB ALA 491 14.600 24.794 23.971 137 HB3 ALA 491 3HB ALA 491 12.979 24.929 23.268 138 H ARG 492 H ARG 492 15.907 27.822 24.965 139 HA ARG 492 HA ARG 492 17.400 28.875 22.610 140 HB2 ARG 492 1HB ARG 492 16.006 30.635 24.674 141 HB3 ARG 492 2HB ARG 492 17.333 31.215 23.670 142 HG2 ARG 492 1HG ARG 492 16.078 30.744 21.604 143 HG3 ARG 492 2HG ARG 492 14.712 30.160 22.546 144 HD2 ARG 492 1HD ARG 492 14.314 32.435 21.791 145 HD3 ARG 492 2HD ARG 492 14.317 32.295 23.555 146 HE ARG 492 HE ARG 492 16.928 33.070 22.585 147 HH11 ARG 492 1HH1 ARG 492 13.751 34.463 23.103 148 HH12 ARG 492 2HH1 ARG 492 14.402 36.050 23.437 149 HH21 ARG 492 1HH2 ARG 492 17.690 35.108 23.059 150 HH22 ARG 492 2HH2 ARG 492 16.569 36.398 23.406 151 H ASN 493 H ASN 493 17.792 27.009 24.937 152 HA ASN 493 HA ASN 493 20.389 28.084 25.882 153 HB2 ASN 493 1HB ASN 493 19.887 27.518 28.212 154 HB3 ASN 493 2HB ASN 493 18.731 28.698 27.615 155 HD21 ASN 493 2HD2 ASN 493 19.132 25.426 28.834 156 HD22 ASN 493 1HD2 ASN 493 17.415 25.051 28.853 157 H SER 494 H SER 494 21.733 26.298 26.914 158 HA SER 494 HA SER 494 22.817 24.308 26.602 159 HB2 SER 494 1HB SER 494 20.033 23.167 26.994 160 HB3 SER 494 2HB SER 494 21.572 22.357 27.333 161 HG SER 494 HG SER 494 20.726 23.216 29.227 162 H SER 495 H SER 495 22.194 25.451 24.089 163 HA SER 495 HA SER 495 22.190 25.087 21.872 164 HB2 SER 495 1HB SER 495 22.919 22.210 22.487 165 HB3 SER 495 2HB SER 495 23.092 23.034 20.932 166 HG SER 495 HG SER 495 24.334 23.832 23.360 167 H GLU 496 H GLU 496 19.643 24.553 23.428 168 HA GLU 496 HA GLU 496 18.020 22.903 21.622 169 HB2 GLU 496 1HB GLU 496 17.300 24.800 23.890 170 HB3 GLU 496 2HB GLU 496 16.176 23.775 23.034 171 HG2 GLU 496 1HG GLU 496 17.133 21.760 23.836 172 HG3 GLU 496 2HG GLU 496 18.577 22.566 24.432 173 H LEU 497 H LEU 497 15.937 23.910 20.738 174 HA LEU 497 HA LEU 497 16.195 26.673 19.683 175 HB2 LEU 497 1HB LEU 497 17.335 25.164 18.038 176 HB3 LEU 497 2HB LEU 497 15.943 24.088 18.058 177 HG LEU 497 HG LEU 497 14.643 26.225 17.142 178 HD11 LEU 497 1HD1 LEU 497 17.477 26.782 16.193 179 HD12 LEU 497 2HD1 LEU 497 16.616 27.750 17.413 180 HD13 LEU 497 3HD1 LEU 497 16.001 27.662 15.752 181 HD21 LEU 497 3HD2 LEU 497 15.075 25.495 14.881 182 HD22 LEU 497 1HD2 LEU 497 14.913 24.103 15.955 183 HD23 LEU 497 2HD2 LEU 497 16.528 24.609 15.400 184 H SER 498 H SER 498 14.303 27.692 19.557 185 HA SER 498 HA SER 498 11.934 26.502 20.602 186 HB2 SER 498 1HB SER 498 10.829 28.612 20.185 187 HB3 SER 498 2HB SER 498 12.432 28.901 20.868 188 HG SER 498 HG SER 498 13.156 29.579 18.889 189 H VAL 499 H VAL 499 9.910 26.073 19.728 190 HA VAL 499 HA VAL 499 9.592 25.999 16.771 191 HB VAL 499 HB VAL 499 8.750 23.742 16.770 192 HG11 VAL 499 1HG1 VAL 499 11.165 24.067 16.338 193 HG12 VAL 499 2HG1 VAL 499 11.507 23.749 18.052 194 HG13 VAL 499 3HG1 VAL 499 10.801 22.480 17.040 195 HG21 VAL 499 3HG2 VAL 499 9.011 22.203 18.664 196 HG22 VAL 499 1HG2 VAL 499 9.612 23.527 19.677 197 HG23 VAL 499 2HG2 VAL 499 7.926 23.525 19.097 198 H LYS 500 H LYS 500 7.391 25.525 16.085 199 HA LYS 500 HA LYS 500 5.259 26.529 17.945 200 HB2 LYS 500 1HB LYS 500 5.626 27.219 15.000 201 HB3 LYS 500 2HB LYS 500 4.347 27.827 16.030 202 HG2 LYS 500 1HG LYS 500 7.280 28.487 16.518 203 HG3 LYS 500 2HG LYS 500 6.272 29.352 15.373 204 HD2 LYS 500 1HD LYS 500 6.307 30.654 17.316 205 HD3 LYS 500 2HD LYS 500 4.689 29.958 17.205 206 HE2 LYS 500 1HE LYS 500 5.254 28.304 18.937 207 HE3 LYS 500 2HE LYS 500 6.939 28.847 18.948 208 HZ1 LYS 500 3HZ LYS 500 5.664 29.845 20.773 209 HZ2 LYS 500 1HZ LYS 500 4.604 30.524 19.728 210 HZ3 LYS 500 2HZ LYS 500 6.162 31.016 19.749 211 H GLN 501 H GLN 501 3.143 25.916 17.367 212 HA GLN 501 HA GLN 501 2.836 23.176 16.598 213 HB2 GLN 501 1HB GLN 501 1.417 24.318 18.204 214 HB3 GLN 501 2HB GLN 501 0.810 25.422 16.963 215 HG2 GLN 501 1HG GLN 501 -0.351 23.621 15.829 216 HG3 GLN 501 2HG GLN 501 0.379 22.405 16.873 217 HE21 GLN 501 2HE2 GLN 501 -2.447 22.702 16.442 218 HE22 GLN 501 1HE2 GLN 501 -3.158 23.198 17.972 219 H ARG 502 H ARG 502 3.068 25.930 14.550 220 HA ARG 502 HA ARG 502 1.953 24.378 12.238 221 HB2 ARG 502 1HB ARG 502 2.012 27.404 12.528 222 HB3 ARG 502 2HB ARG 502 1.264 26.450 11.240 223 HG2 ARG 502 1HG ARG 502 -0.196 25.379 13.096 224 HG3 ARG 502 2HG ARG 502 0.404 26.665 14.150 225 HD2 ARG 502 1HD ARG 502 -1.675 27.448 13.332 226 HD3 ARG 502 2HD ARG 502 -0.444 28.346 12.452 227 HE ARG 502 HE ARG 502 -1.114 27.336 10.464 228 HH11 ARG 502 1HH1 ARG 502 -2.654 25.542 13.071 229 HH12 ARG 502 2HH1 ARG 502 -3.621 24.604 11.960 230 HH21 ARG 502 1HH2 ARG 502 -2.375 26.101 9.128 231 HH22 ARG 502 2HH2 ARG 502 -3.467 24.919 9.799 232 H ASP 503 H ASP 503 4.790 24.553 13.390 233 HA ASP 503 HA ASP 503 6.183 25.430 10.868 234 HB2 ASP 503 1HB ASP 503 7.085 25.339 13.752 235 HB3 ASP 503 2HB ASP 503 8.233 25.256 12.422 236 H VAL 504 H VAL 504 6.632 23.844 9.535 237 HA VAL 504 HA VAL 504 7.009 21.056 10.442 238 HB VAL 504 HB VAL 504 5.669 21.649 8.415 239 HG11 VAL 504 1HG1 VAL 504 6.740 22.126 6.301 240 HG12 VAL 504 2HG1 VAL 504 7.129 23.416 7.448 241 HG13 VAL 504 3HG1 VAL 504 8.341 22.175 7.058 242 HG21 VAL 504 3HG2 VAL 504 6.520 19.385 8.795 243 HG22 VAL 504 1HG2 VAL 504 6.471 19.784 7.072 244 HG23 VAL 504 2HG2 VAL 504 8.019 19.790 7.933 245 H LEU 505 H LEU 505 8.935 19.924 10.361 246 HA LEU 505 HA LEU 505 11.471 21.461 9.956 247 HB2 LEU 505 1HB LEU 505 10.628 19.904 12.435 248 HB3 LEU 505 2HB LEU 505 12.184 20.694 12.199 249 HG LEU 505 HG LEU 505 9.539 22.211 12.311 250 HD11 LEU 505 1HD1 LEU 505 11.559 22.004 14.545 251 HD12 LEU 505 2HD1 LEU 505 10.089 21.003 14.448 252 HD13 LEU 505 3HD1 LEU 505 9.956 22.760 14.548 253 HD21 LEU 505 3HD2 LEU 505 10.976 24.164 12.745 254 HD22 LEU 505 1HD2 LEU 505 11.373 23.438 11.184 255 HD23 LEU 505 2HD2 LEU 505 12.429 23.151 12.584 256 H GLU 506 H GLU 506 13.362 20.152 9.759 257 HA GLU 506 HA GLU 506 12.795 17.376 8.757 258 HB2 GLU 506 1HB GLU 506 13.650 19.071 7.145 259 HB3 GLU 506 2HB GLU 506 15.093 19.252 8.127 260 HG2 GLU 506 1HG GLU 506 14.708 16.427 7.612 261 HG3 GLU 506 2HG GLU 506 14.431 17.271 6.100 262 H VAL 507 H VAL 507 13.205 15.914 10.371 263 HA VAL 507 HA VAL 507 15.246 16.314 12.386 264 HB VAL 507 HB VAL 507 13.221 14.984 12.796 265 HG11 VAL 507 1HG1 VAL 507 13.125 13.762 10.612 266 HG12 VAL 507 2HG1 VAL 507 14.478 12.754 11.158 267 HG13 VAL 507 3HG1 VAL 507 12.937 12.733 12.038 268 HG21 VAL 507 3HG2 VAL 507 14.297 13.173 14.060 269 HG22 VAL 507 1HG2 VAL 507 15.807 13.420 13.187 270 HG23 VAL 507 2HG2 VAL 507 15.168 14.694 14.252 271 H LEU 508 H LEU 508 17.276 15.691 12.518 272 HA LEU 508 HA LEU 508 18.473 14.135 10.255 273 HB2 LEU 508 1HB LEU 508 20.245 16.089 11.618 274 HB3 LEU 508 2HB LEU 508 20.215 15.509 9.973 275 HG LEU 508 HG LEU 508 17.958 17.044 9.887 276 HD11 LEU 508 1HD1 LEU 508 18.193 18.999 11.230 277 HD12 LEU 508 2HD1 LEU 508 19.777 18.504 11.847 278 HD13 LEU 508 3HD1 LEU 508 18.309 17.642 12.347 279 HD21 LEU 508 3HD2 LEU 508 20.822 18.084 9.707 280 HD22 LEU 508 1HD2 LEU 508 19.379 18.885 9.046 281 HD23 LEU 508 2HD2 LEU 508 19.892 17.321 8.399 282 H ASP 509 H ASP 509 18.127 14.391 13.681 283 HA ASP 509 HA ASP 509 19.619 11.883 13.965 284 HB2 ASP 509 1HB ASP 509 21.210 13.829 14.492 285 HB3 ASP 509 2HB ASP 509 20.186 14.173 15.885 286 H ASP 510 H ASP 510 18.582 10.532 15.294 287 HA ASP 510 HA ASP 510 16.472 11.468 17.170 288 HB2 ASP 510 1HB ASP 510 14.938 9.731 16.211 289 HB3 ASP 510 2HB ASP 510 15.260 11.095 15.164 290 H SER 511 H SER 511 19.227 10.307 17.445 291 HA SER 511 HA SER 511 19.194 7.577 18.206 292 HB2 SER 511 1HB SER 511 21.184 8.958 17.645 293 HB3 SER 511 2HB SER 511 21.007 9.815 19.187 294 HG SER 511 HG SER 511 22.520 8.087 19.272 295 H ARG 512 H ARG 512 18.348 10.424 20.096 296 HA ARG 512 HA ARG 512 17.539 8.754 22.449 297 HB2 ARG 512 1HB ARG 512 18.968 11.454 22.557 298 HB3 ARG 512 2HB ARG 512 18.286 10.597 23.926 299 HG2 ARG 512 1HG ARG 512 20.093 8.767 22.660 300 HG3 ARG 512 2HG ARG 512 20.897 10.329 22.692 301 HD2 ARG 512 1HD ARG 512 19.775 8.743 25.029 302 HD3 ARG 512 2HD ARG 512 21.470 9.072 24.691 303 HE ARG 512 HE ARG 512 19.570 10.769 26.084 304 HH11 ARG 512 1HH1 ARG 512 22.548 10.991 24.234 305 HH12 ARG 512 2HH1 ARG 512 22.960 12.535 24.940 306 HH21 ARG 512 1HH2 ARG 512 20.161 12.713 26.929 307 HH22 ARG 512 2HH2 ARG 512 21.641 13.477 26.421 308 H LYS 513 H LYS 513 16.124 10.229 23.964 309 HA LYS 513 HA LYS 513 13.753 10.966 22.636 310 HB2 LYS 513 1HB LYS 513 12.973 11.886 24.678 311 HB3 LYS 513 2HB LYS 513 13.809 10.380 25.001 312 HG2 LYS 513 1HG LYS 513 15.504 11.381 26.208 313 HG3 LYS 513 2HG LYS 513 15.506 12.831 25.243 314 HD2 LYS 513 1HD LYS 513 14.567 13.857 26.973 315 HD3 LYS 513 2HD LYS 513 13.073 13.155 26.405 316 HE2 LYS 513 1HE LYS 513 13.181 12.758 28.746 317 HE3 LYS 513 2HE LYS 513 13.469 11.199 27.976 318 HZ1 LYS 513 3HZ LYS 513 15.047 11.668 29.790 319 HZ2 LYS 513 1HZ LYS 513 15.595 13.001 29.039 320 HZ3 LYS 513 2HZ LYS 513 15.860 11.529 28.388 321 H TRP 514 H TRP 514 16.531 13.010 23.208 322 HA TRP 514 HA TRP 514 15.190 15.457 22.256 323 HB2 TRP 514 1HB TRP 514 18.073 14.857 22.983 324 HB3 TRP 514 2HB TRP 514 17.490 16.400 22.403 325 HD1 TRP 514 HD1 TRP 514 17.567 14.262 25.521 326 HE1 TRP 514 HE1 TRP 514 16.664 15.596 27.526 327 HE3 TRP 514 HE3 TRP 514 15.874 18.402 23.044 328 HZ2 TRP 514 HZ2 TRP 514 15.244 18.077 27.971 329 HZ3 TRP 514 HZ3 TRP 514 14.796 20.269 24.289 330 HH2 TRP 514 HH2 TRP 514 14.457 20.104 26.742 331 H TRP 515 H TRP 515 14.475 14.940 20.210 332 HA TRP 515 HA TRP 515 16.247 13.926 18.100 333 HB2 TRP 515 1HB TRP 515 13.459 15.143 18.113 334 HB3 TRP 515 2HB TRP 515 14.324 14.749 16.636 335 HD1 TRP 515 HD1 TRP 515 14.679 12.299 19.483 336 HE1 TRP 515 HE1 TRP 515 13.526 10.096 18.924 337 HE3 TRP 515 HE3 TRP 515 12.191 13.766 15.252 338 HZ2 TRP 515 HZ2 TRP 515 11.811 9.060 16.860 339 HZ3 TRP 515 HZ3 TRP 515 10.881 12.094 13.952 340 HH2 TRP 515 HH2 TRP 515 10.685 9.756 14.739 341 H LYS 516 H LYS 516 17.334 15.093 16.609 342 HA LYS 516 HA LYS 516 17.527 18.059 17.028 343 HB2 LYS 516 1HB LYS 516 19.646 16.457 17.023 344 HB3 LYS 516 2HB LYS 516 19.446 16.525 15.273 345 HG2 LYS 516 1HG LYS 516 19.317 19.135 15.605 346 HG3 LYS 516 2HG LYS 516 19.886 18.814 17.241 347 HD2 LYS 516 1HD LYS 516 21.806 19.386 16.001 348 HD3 LYS 516 2HD LYS 516 21.899 17.624 16.175 349 HE2 LYS 516 1HE LYS 516 20.976 17.345 13.885 350 HE3 LYS 516 2HE LYS 516 20.757 19.098 13.749 351 HZ1 LYS 516 3HZ LYS 516 22.798 18.381 12.643 352 HZ2 LYS 516 1HZ LYS 516 23.388 17.735 14.022 353 HZ3 LYS 516 2HZ LYS 516 23.180 19.352 13.898 354 H VAL 517 H VAL 517 16.730 19.375 15.543 355 HA VAL 517 HA VAL 517 16.030 18.331 12.833 356 HB VAL 517 HB VAL 517 13.850 19.285 12.901 357 HG11 VAL 517 1HG1 VAL 517 12.667 17.973 14.539 358 HG12 VAL 517 2HG1 VAL 517 14.035 17.020 13.969 359 HG13 VAL 517 3HG1 VAL 517 14.113 17.810 15.551 360 HG21 VAL 517 3HG2 VAL 517 12.893 20.284 15.005 361 HG22 VAL 517 1HG2 VAL 517 14.523 20.329 15.687 362 HG23 VAL 517 2HG2 VAL 517 14.133 21.291 14.241 363 H ARG 518 H ARG 518 15.694 19.913 11.225 364 HA ARG 518 HA ARG 518 17.207 22.456 11.646 365 HB2 ARG 518 1HB ARG 518 18.368 20.921 10.197 366 HB3 ARG 518 2HB ARG 518 16.928 20.658 9.208 367 HG2 ARG 518 1HG ARG 518 17.074 22.836 8.244 368 HG3 ARG 518 2HG ARG 518 18.163 23.422 9.510 369 HD2 ARG 518 1HD ARG 518 19.348 23.050 7.388 370 HD3 ARG 518 2HD ARG 518 19.982 22.054 8.707 371 HE ARG 518 HE ARG 518 18.053 20.495 7.327 372 HH11 ARG 518 1HH1 ARG 518 21.234 21.818 6.622 373 HH12 ARG 518 2HH1 ARG 518 21.613 20.509 5.530 374 HH21 ARG 518 1HH2 ARG 518 18.578 18.920 5.992 375 HH22 ARG 518 2HH2 ARG 518 20.140 18.882 5.172 376 H ASP 519 H ASP 519 16.231 24.227 11.428 377 HA ASP 519 HA ASP 519 13.399 24.381 10.645 378 HB2 ASP 519 1HB ASP 519 13.487 26.655 11.516 379 HB3 ASP 519 2HB ASP 519 14.116 25.504 12.652 380 HA PRO 520 HA PRO 520 14.037 25.986 6.579 381 HB2 PRO 520 1HB PRO 520 12.048 27.853 6.225 382 HB3 PRO 520 2HB PRO 520 11.782 26.087 6.332 383 HG2 PRO 520 1HG PRO 520 11.526 28.128 8.559 384 HG3 PRO 520 2HG PRO 520 10.344 26.867 8.072 385 HD2 PRO 520 1HD PRO 520 12.039 26.463 10.112 386 HD3 PRO 520 2HD PRO 520 11.690 25.136 8.986 387 H ALA 521 H ALA 521 14.655 28.074 9.220 388 HA ALA 521 HA ALA 521 15.498 30.401 7.649 389 HB1 ALA 521 1HB ALA 521 14.640 30.570 9.992 390 HB2 ALA 521 2HB ALA 521 16.121 29.747 10.561 391 HB3 ALA 521 3HB ALA 521 16.237 31.309 9.762 392 H GLY 522 H GLY 522 16.962 27.450 8.872 393 HA2 GLY 522 1HA GLY 522 18.868 26.520 7.664 394 HA3 GLY 522 2HA GLY 522 19.552 28.133 7.511 395 H GLN 523 H GLN 523 18.073 27.120 10.546 396 HA GLN 523 HA GLN 523 20.765 26.610 11.785 397 HB2 GLN 523 1HB GLN 523 18.341 27.814 13.157 398 HB3 GLN 523 2HB GLN 523 19.908 27.517 13.867 399 HG2 GLN 523 1HG GLN 523 20.252 29.223 11.531 400 HG3 GLN 523 2HG GLN 523 18.946 29.855 12.489 401 HE21 GLN 523 2HE2 GLN 523 19.469 30.267 14.930 402 HE22 GLN 523 1HE2 GLN 523 21.134 30.682 15.309 403 H GLU 524 H GLU 524 20.609 25.258 13.791 404 HA GLU 524 HA GLU 524 18.405 23.252 13.741 405 HB2 GLU 524 1HB GLU 524 21.337 22.474 13.980 406 HB3 GLU 524 2HB GLU 524 19.938 21.417 13.985 407 HG2 GLU 524 1HG GLU 524 20.559 21.059 11.847 408 HG3 GLU 524 2HG GLU 524 19.519 22.440 11.562 409 H GLY 525 H GLY 525 18.210 21.984 15.673 410 HA2 GLY 525 1HA GLY 525 19.884 22.255 17.945 411 HA3 GLY 525 2HA GLY 525 18.498 23.315 18.177 412 H TYR 526 H TYR 526 18.817 21.458 19.973 413 HA TYR 526 HA TYR 526 17.365 18.982 19.336 414 HB2 TYR 526 1HB TYR 526 18.725 20.047 21.836 415 HB3 TYR 526 2HB TYR 526 17.911 18.496 21.748 416 HD1 TYR 526 HD1 TYR 526 18.670 16.766 20.042 417 HD2 TYR 526 HD2 TYR 526 21.000 20.262 21.018 418 HE1 TYR 526 HE1 TYR 526 20.689 15.670 19.103 419 HE2 TYR 526 HE2 TYR 526 23.025 19.176 20.044 420 HH TYR 526 HH TYR 526 22.917 15.885 18.643 421 H VAL 527 H VAL 527 15.415 18.359 20.041 422 HA VAL 527 HA VAL 527 13.839 19.863 22.025 423 HB VAL 527 HB VAL 527 11.801 19.734 20.498 424 HG11 VAL 527 1HG1 VAL 527 12.961 21.850 21.115 425 HG12 VAL 527 2HG1 VAL 527 13.889 21.736 19.607 426 HG13 VAL 527 3HG1 VAL 527 12.123 21.897 19.559 427 HG21 VAL 527 3HG2 VAL 527 12.088 19.852 18.095 428 HG22 VAL 527 1HG2 VAL 527 13.843 19.642 18.244 429 HG23 VAL 527 2HG2 VAL 527 12.748 18.320 18.692 430 HA PRO 528 HA PRO 528 12.632 15.685 22.952 431 HB2 PRO 528 1HB PRO 528 10.151 15.974 24.122 432 HB3 PRO 528 2HB PRO 528 11.695 16.410 24.916 433 HG2 PRO 528 1HG PRO 528 9.743 18.228 23.487 434 HG3 PRO 528 2HG PRO 528 10.573 18.490 25.057 435 HD2 PRO 528 1HD PRO 528 11.461 19.595 22.722 436 HD3 PRO 528 2HD PRO 528 12.580 19.069 24.008 437 H TYR 529 H TYR 529 11.710 13.992 21.788 438 HA TYR 529 HA TYR 529 10.211 14.473 19.426 439 HB2 TYR 529 1HB TYR 529 10.162 12.189 19.096 440 HB3 TYR 529 2HB TYR 529 11.631 12.446 20.014 441 HD1 TYR 529 HD2 TYR 529 11.689 11.826 22.470 442 HD2 TYR 529 HD1 TYR 529 8.345 10.843 19.939 443 HE1 TYR 529 HE2 TYR 529 10.955 10.107 24.119 444 HE2 TYR 529 HE1 TYR 529 7.593 9.143 21.594 445 HH TYR 529 HH TYR 529 8.029 8.118 23.586 446 H ASN 530 H ASN 530 9.045 14.190 22.682 447 HA ASN 530 HA ASN 530 6.461 13.201 22.369 448 HB2 ASN 530 1HB ASN 530 7.719 13.636 24.493 449 HB3 ASN 530 2HB ASN 530 7.433 15.366 24.289 450 HD21 ASN 530 2HD2 ASN 530 5.940 12.248 25.068 451 HD22 ASN 530 1HD2 ASN 530 4.454 12.946 25.701 452 H ILE 531 H ILE 531 7.576 16.455 21.553 453 HA ILE 531 HA ILE 531 4.804 17.390 21.045 454 HB ILE 531 HB ILE 531 5.747 19.606 20.792 455 HG12 ILE 531 1HG1 ILE 531 8.460 18.353 21.352 456 HG13 ILE 531 2HG1 ILE 531 7.939 18.966 19.782 457 HG21 ILE 531 1HG2 ILE 531 5.129 18.663 23.044 458 HG22 ILE 531 2HG2 ILE 531 6.848 18.303 23.319 459 HG23 ILE 531 3HG2 ILE 531 6.301 19.979 23.111 460 HD11 ILE 531 3HD1 ILE 531 9.354 20.601 20.823 461 HD12 ILE 531 1HD1 ILE 531 7.695 21.240 20.821 462 HD13 ILE 531 2HD1 ILE 531 8.407 20.570 22.313 463 H LEU 532 H LEU 532 6.907 15.652 19.283 464 HA LEU 532 HA LEU 532 6.404 17.014 16.672 465 HB2 LEU 532 1HB LEU 532 8.344 14.773 17.389 466 HB3 LEU 532 2HB LEU 532 8.195 15.551 15.822 467 HG LEU 532 HG LEU 532 9.175 16.894 18.382 468 HD11 LEU 532 1HD1 LEU 532 11.350 16.929 17.256 469 HD12 LEU 532 2HD1 LEU 532 10.664 16.094 15.850 470 HD13 LEU 532 3HD1 LEU 532 10.773 15.262 17.408 471 HD21 LEU 532 3HD2 LEU 532 9.808 18.768 16.877 472 HD22 LEU 532 1HD2 LEU 532 8.060 18.528 16.943 473 HD23 LEU 532 2HD2 LEU 532 8.977 17.960 15.528 474 H THR 533 H THR 533 5.717 15.767 14.912 475 HA THR 533 HA THR 533 4.685 13.034 15.330 476 HB THR 533 HB THR 533 2.573 13.810 13.964 477 HG1 THR 533 HG1 THR 533 3.634 16.183 14.431 478 HG21 THR 533 3HG2 THR 533 2.713 14.514 16.917 479 HG22 THR 533 1HG2 THR 533 2.536 12.866 16.268 480 HG23 THR 533 2HG2 THR 533 1.277 14.071 15.967 481 HA PRO 534 HA PRO 534 6.205 12.494 11.207 482 HB2 PRO 534 1HB PRO 534 4.399 10.778 10.022 483 HB3 PRO 534 2HB PRO 534 5.584 10.275 11.264 484 HG2 PRO 534 1HG PRO 534 2.675 11.036 11.671 485 HG3 PRO 534 2HG PRO 534 3.534 9.584 12.284 486 HD2 PRO 534 1HD PRO 534 3.177 11.743 13.853 487 HD3 PRO 534 2HD PRO 534 4.730 10.864 13.888 488 H TYR 535 H TYR 535 5.770 12.985 8.953 489 HA TYR 535 HA TYR 535 3.420 14.771 8.489 490 HB2 TYR 535 1HB TYR 535 5.526 16.015 8.787 491 HB3 TYR 535 2HB TYR 535 6.211 15.164 7.409 492 HD1 TYR 535 HD1 TYR 535 2.930 16.922 8.162 493 HD2 TYR 535 HD2 TYR 535 6.302 16.515 5.492 494 HE1 TYR 535 HE1 TYR 535 1.952 18.645 6.657 495 HE2 TYR 535 HE2 TYR 535 5.334 18.258 4.008 496 HH TYR 535 HH TYR 535 3.596 19.693 3.658 497 HA PRO 536 HA PRO 536 3.245 11.270 5.471 498 HB2 PRO 536 1HB PRO 536 0.627 10.578 5.793 499 HB3 PRO 536 2HB PRO 536 1.899 10.081 6.948 500 HG2 PRO 536 1HG PRO 536 0.014 12.454 7.175 501 HG3 PRO 536 2HG PRO 536 0.348 11.186 8.400 502 HD2 PRO 536 1HD PRO 536 1.628 13.592 8.431 503 HD3 PRO 536 2HD PRO 536 2.464 12.077 8.886 504 H ALA 537 H ALA 537 1.932 14.386 5.651 505 HA ALA 537 HA ALA 537 0.845 15.816 4.330 506 HB1 ALA 537 1HB ALA 537 2.901 15.432 3.024 507 HB2 ALA 537 2HB ALA 537 2.059 14.194 2.065 508 HB3 ALA 537 3HB ALA 537 1.528 15.887 2.000 509 H ALA 538 H ALA 538 -0.709 13.423 5.141 510 HA ALA 538 HA ALA 538 -2.608 12.696 3.134 511 HB1 ALA 538 1HB ALA 538 -3.938 11.928 5.072 512 HB2 ALA 538 2HB ALA 538 -2.242 11.426 5.218 513 HB3 ALA 538 3HB ALA 538 -2.851 12.796 6.176 514 H ALA 539 H ALA 539 -4.317 13.749 2.303 515 HA ALA 539 HA ALA 539 -5.671 15.957 3.707 516 HB1 ALA 539 1HB ALA 539 -4.255 16.332 1.023 517 HB2 ALA 539 2HB ALA 539 -5.336 17.511 1.799 518 HB3 ALA 539 3HB ALA 539 -3.793 17.087 2.564 519 H SER 540 H SER 540 -7.763 16.089 3.193 520 HA SER 540 HA SER 540 -8.981 14.787 0.819 521 HB2 SER 540 1HB SER 540 -9.662 14.059 3.701 522 HB3 SER 540 2HB SER 540 -10.627 13.614 2.282 523 HG SER 540 HG SER 540 -9.164 11.940 2.873 Start of MODEL 11 1 H1 GLY 473 H GLY 473 6.862 -2.187 -4.214 2 HA2 GLY 473 1HA GLY 473 6.436 -1.985 -7.120 3 HA3 GLY 473 2HA GLY 473 5.101 -2.166 -5.969 4 HA PRO 474 HA PRO 474 6.103 2.412 -6.346 5 HB2 PRO 474 1HB PRO 474 4.040 3.284 -7.878 6 HB3 PRO 474 2HB PRO 474 5.501 2.536 -8.577 7 HG2 PRO 474 1HG PRO 474 2.847 1.183 -7.981 8 HG3 PRO 474 2HG PRO 474 3.792 1.144 -9.504 9 HD2 PRO 474 1HD PRO 474 3.955 -0.829 -7.611 10 HD3 PRO 474 2HD PRO 474 5.363 -0.344 -8.603 11 H LEU 475 H LEU 475 5.629 1.884 -4.038 12 HA LEU 475 HA LEU 475 2.921 2.892 -3.175 13 HB2 LEU 475 1HB LEU 475 4.681 0.784 -1.845 14 HB3 LEU 475 2HB LEU 475 3.338 1.607 -1.075 15 HG LEU 475 HG LEU 475 1.842 0.691 -2.969 16 HD11 LEU 475 1HD1 LEU 475 4.258 -1.159 -3.234 17 HD12 LEU 475 2HD1 LEU 475 3.492 -0.195 -4.524 18 HD13 LEU 475 3HD1 LEU 475 2.626 -1.552 -3.821 19 HD21 LEU 475 3HD2 LEU 475 1.771 -0.059 -0.629 20 HD22 LEU 475 1HD2 LEU 475 3.129 -1.169 -0.925 21 HD23 LEU 475 2HD2 LEU 475 1.560 -1.431 -1.726 22 H GLY 476 H GLY 476 6.361 2.631 -2.105 23 HA2 GLY 476 1HA GLY 476 6.126 4.811 -0.193 24 HA3 GLY 476 2HA GLY 476 7.612 4.033 -0.729 25 H SER 477 H SER 477 7.420 6.767 -0.287 26 HA SER 477 HA SER 477 7.658 7.979 -3.027 27 HB2 SER 477 1HB SER 477 6.648 9.313 -0.485 28 HB3 SER 477 2HB SER 477 6.814 10.073 -2.074 29 HG SER 477 HG SER 477 5.255 8.592 -2.869 30 H GLY 478 H GLY 478 9.098 9.779 -3.209 31 HA2 GLY 478 1HA GLY 478 11.673 9.267 -2.007 32 HA3 GLY 478 2HA GLY 478 11.284 10.487 -3.218 33 H ALA 479 H ALA 479 10.015 10.097 0.102 34 HA ALA 479 HA ALA 479 10.569 12.936 0.716 35 HB1 ALA 479 1HB ALA 479 9.063 12.522 2.620 36 HB2 ALA 479 2HB ALA 479 8.322 11.980 1.106 37 HB3 ALA 479 3HB ALA 479 9.017 10.787 2.228 38 H LEU 480 H LEU 480 11.314 13.470 2.896 39 HA LEU 480 HA LEU 480 13.727 11.909 3.651 40 HB2 LEU 480 1HB LEU 480 12.914 14.789 3.579 41 HB3 LEU 480 2HB LEU 480 14.012 14.362 4.855 42 HG LEU 480 HG LEU 480 14.529 13.864 1.900 43 HD11 LEU 480 1HD1 LEU 480 14.491 16.264 2.493 44 HD12 LEU 480 2HD1 LEU 480 16.138 15.729 2.130 45 HD13 LEU 480 3HD1 LEU 480 15.636 15.964 3.819 46 HD21 LEU 480 3HD2 LEU 480 15.811 12.265 3.274 47 HD22 LEU 480 1HD2 LEU 480 16.352 13.584 4.335 48 HD23 LEU 480 2HD2 LEU 480 16.890 13.509 2.642 49 H LYS 481 H LYS 481 10.705 11.880 4.760 50 HA LYS 481 HA LYS 481 9.609 11.415 6.702 51 HB2 LYS 481 1HB LYS 481 12.255 10.755 8.007 52 HB3 LYS 481 2HB LYS 481 10.650 10.234 8.496 53 HG2 LYS 481 1HG LYS 481 10.427 8.879 6.443 54 HG3 LYS 481 2HG LYS 481 12.043 9.372 5.916 55 HD2 LYS 481 1HD LYS 481 11.436 7.868 8.497 56 HD3 LYS 481 2HD LYS 481 12.006 7.126 6.996 57 HE2 LYS 481 1HE LYS 481 14.091 8.424 7.086 58 HE3 LYS 481 2HE LYS 481 13.537 9.276 8.533 59 HZ1 LYS 481 3HZ LYS 481 14.046 6.354 8.390 60 HZ2 LYS 481 1HZ LYS 481 13.533 7.158 9.721 61 HZ3 LYS 481 2HZ LYS 481 15.016 7.454 9.108 62 H TRP 482 H TRP 482 9.878 13.986 6.229 63 HA TRP 482 HA TRP 482 10.813 15.695 8.320 64 HB2 TRP 482 1HB TRP 482 8.519 15.917 6.341 65 HB3 TRP 482 2HB TRP 482 8.901 17.184 7.487 66 HD1 TRP 482 HD1 TRP 482 10.767 15.285 4.666 67 HE1 TRP 482 HE1 TRP 482 12.306 16.921 3.445 68 HE3 TRP 482 HE3 TRP 482 10.005 19.448 7.560 69 HZ2 TRP 482 HZ2 TRP 482 13.254 19.585 3.789 70 HZ3 TRP 482 HZ3 TRP 482 11.265 21.536 7.092 71 HH2 TRP 482 HH2 TRP 482 12.899 21.622 5.219 72 H VAL 483 H VAL 483 9.580 16.824 9.942 73 HA VAL 483 HA VAL 483 7.210 15.367 11.023 74 HB VAL 483 HB VAL 483 8.011 15.863 13.319 75 HG11 VAL 483 1HG1 VAL 483 9.815 14.006 11.729 76 HG12 VAL 483 2HG1 VAL 483 9.500 13.955 13.479 77 HG13 VAL 483 3HG1 VAL 483 8.191 13.617 12.336 78 HG21 VAL 483 3HG2 VAL 483 9.705 17.587 12.926 79 HG22 VAL 483 1HG2 VAL 483 10.423 16.189 13.734 80 HG23 VAL 483 2HG2 VAL 483 10.698 16.440 12.004 81 H LEU 484 H LEU 484 5.644 16.520 11.913 82 HA LEU 484 HA LEU 484 5.779 19.485 11.606 83 HB2 LEU 484 1HB LEU 484 4.243 17.973 10.086 84 HB3 LEU 484 2HB LEU 484 3.211 17.869 11.494 85 HG LEU 484 HG LEU 484 4.174 20.599 10.555 86 HD11 LEU 484 1HD1 LEU 484 3.379 19.561 8.511 87 HD12 LEU 484 2HD1 LEU 484 2.226 20.781 9.057 88 HD13 LEU 484 3HD1 LEU 484 1.870 19.057 9.308 89 HD21 LEU 484 3HD2 LEU 484 2.858 20.459 12.645 90 HD22 LEU 484 1HD2 LEU 484 1.545 19.650 11.764 91 HD23 LEU 484 2HD2 LEU 484 1.978 21.329 11.386 92 H CYS 485 H CYS 485 5.882 20.512 13.454 93 HA CYS 485 HA CYS 485 5.640 19.316 16.047 94 HB2 CYS 485 1HB CYS 485 5.893 22.097 14.884 95 HB3 CYS 485 2HB CYS 485 5.593 21.932 16.601 96 HG CYS 485 HG CYS 485 7.646 20.501 17.198 97 H ASN 486 H ASN 486 3.839 18.833 17.211 98 HA ASN 486 HA ASN 486 1.232 20.001 16.377 99 HB2 ASN 486 1HB ASN 486 2.130 17.514 17.800 100 HB3 ASN 486 2HB ASN 486 0.635 18.233 18.371 101 HD21 ASN 486 2HD2 ASN 486 -0.071 16.011 17.578 102 HD22 ASN 486 1HD2 ASN 486 -0.654 15.974 15.920 103 H TYR 487 H TYR 487 3.591 20.707 18.717 104 HA TYR 487 HA TYR 487 1.745 22.580 20.086 105 HB2 TYR 487 1HB TYR 487 3.583 20.668 21.587 106 HB3 TYR 487 2HB TYR 487 2.547 21.894 22.294 107 HD1 TYR 487 HD2 TYR 487 0.036 21.635 22.207 108 HD2 TYR 487 HD1 TYR 487 2.717 18.497 20.949 109 HE1 TYR 487 HE2 TYR 487 -1.850 20.010 22.247 110 HE2 TYR 487 HE1 TYR 487 0.828 16.866 20.994 111 HH TYR 487 HH TYR 487 -2.500 17.862 21.851 112 H ASP 488 H ASP 488 2.831 24.387 21.022 113 HA ASP 488 HA ASP 488 5.456 25.006 19.890 114 HB2 ASP 488 1HB ASP 488 5.209 27.157 20.791 115 HB3 ASP 488 2HB ASP 488 3.623 26.710 20.179 116 H PHE 489 H PHE 489 7.329 25.477 21.039 117 HA PHE 489 HA PHE 489 7.615 24.930 23.908 118 HB2 PHE 489 1HB PHE 489 7.755 22.672 23.004 119 HB3 PHE 489 2HB PHE 489 8.921 23.169 21.796 120 HD1 PHE 489 HD2 PHE 489 8.425 22.661 25.467 121 HD2 PHE 489 HD1 PHE 489 11.273 23.198 22.275 122 HE1 PHE 489 HE2 PHE 489 10.264 21.937 26.975 123 HE2 PHE 489 HE1 PHE 489 13.101 22.402 23.758 124 HZ PHE 489 HZ PHE 489 12.595 21.799 26.122 125 H GLN 490 H GLN 490 8.681 26.781 24.436 126 HA GLN 490 HA GLN 490 10.594 28.028 22.577 127 HB2 GLN 490 1HB GLN 490 8.976 29.337 23.981 128 HB3 GLN 490 2HB GLN 490 9.868 28.824 25.422 129 HG2 GLN 490 1HG GLN 490 11.923 29.937 24.517 130 HG3 GLN 490 2HG GLN 490 11.033 30.370 23.056 131 HE21 GLN 490 2HE2 GLN 490 11.086 32.649 23.245 132 HE22 GLN 490 1HE2 GLN 490 10.366 33.493 24.609 133 H ALA 491 H ALA 491 12.762 27.611 22.579 134 HA ALA 491 HA ALA 491 14.079 26.545 25.005 135 HB1 ALA 491 1HB ALA 491 13.131 24.710 23.445 136 HB2 ALA 491 2HB ALA 491 14.490 25.123 22.387 137 HB3 ALA 491 3HB ALA 491 14.793 24.585 24.059 138 H ARG 492 H ARG 492 15.905 27.551 25.290 139 HA ARG 492 HA ARG 492 17.753 28.402 23.135 140 HB2 ARG 492 1HB ARG 492 16.365 30.407 24.993 141 HB3 ARG 492 2HB ARG 492 17.789 30.776 24.016 142 HG2 ARG 492 1HG ARG 492 16.482 30.134 21.960 143 HG3 ARG 492 2HG ARG 492 15.027 30.071 22.976 144 HD2 ARG 492 1HD ARG 492 15.249 32.404 23.567 145 HD3 ARG 492 2HD ARG 492 16.792 32.535 22.722 146 HE ARG 492 HE ARG 492 14.102 32.526 21.547 147 HH11 ARG 492 1HH1 ARG 492 17.498 32.075 20.756 148 HH12 ARG 492 2HH1 ARG 492 17.229 32.386 19.060 149 HH21 ARG 492 1HH2 ARG 492 13.848 32.910 19.373 150 HH22 ARG 492 2HH2 ARG 492 15.224 32.831 18.307 151 H ASN 493 H ASN 493 17.643 26.641 25.682 152 HA ASN 493 HA ASN 493 19.197 27.952 27.711 153 HB2 ASN 493 1HB ASN 493 17.596 26.160 28.183 154 HB3 ASN 493 2HB ASN 493 18.529 25.015 27.224 155 HD21 ASN 493 2HD2 ASN 493 19.047 23.552 28.877 156 HD22 ASN 493 1HD2 ASN 493 20.027 24.011 30.264 157 H SER 494 H SER 494 20.223 25.058 25.858 158 HA SER 494 HA SER 494 22.868 26.158 25.200 159 HB2 SER 494 1HB SER 494 22.616 23.755 27.066 160 HB3 SER 494 2HB SER 494 24.101 24.300 26.281 161 HG SER 494 HG SER 494 23.375 26.428 27.439 162 H SER 495 H SER 495 22.676 25.699 23.071 163 HA SER 495 HA SER 495 22.640 24.594 21.111 164 HB2 SER 495 1HB SER 495 22.651 21.950 22.592 165 HB3 SER 495 2HB SER 495 23.084 22.246 20.906 166 HG SER 495 HG SER 495 24.899 22.092 22.366 167 H GLU 496 H GLU 496 20.033 24.794 22.956 168 HA GLU 496 HA GLU 496 18.182 22.991 21.472 169 HB2 GLU 496 1HB GLU 496 17.626 24.962 23.689 170 HB3 GLU 496 2HB GLU 496 16.545 23.733 23.060 171 HG2 GLU 496 1HG GLU 496 19.042 23.376 24.710 172 HG3 GLU 496 2HG GLU 496 17.379 22.887 25.070 173 H LEU 497 H LEU 497 16.048 23.975 20.770 174 HA LEU 497 HA LEU 497 16.157 26.760 19.830 175 HB2 LEU 497 1HB LEU 497 17.283 25.383 18.040 176 HB3 LEU 497 2HB LEU 497 15.833 24.394 17.932 177 HG LEU 497 HG LEU 497 14.754 26.888 17.462 178 HD11 LEU 497 1HD1 LEU 497 16.213 28.147 16.002 179 HD12 LEU 497 2HD1 LEU 497 17.531 26.981 16.239 180 HD13 LEU 497 3HD1 LEU 497 16.973 27.989 17.598 181 HD21 LEU 497 3HD2 LEU 497 14.827 26.321 15.100 182 HD22 LEU 497 1HD2 LEU 497 14.423 24.909 16.083 183 HD23 LEU 497 2HD2 LEU 497 16.065 25.081 15.418 184 H SER 498 H SER 498 14.208 27.724 19.714 185 HA SER 498 HA SER 498 11.862 26.456 20.706 186 HB2 SER 498 1HB SER 498 10.725 28.572 20.076 187 HB3 SER 498 2HB SER 498 12.206 28.835 21.008 188 HG SER 498 HG SER 498 11.996 30.220 19.159 189 H VAL 499 H VAL 499 9.843 26.086 19.724 190 HA VAL 499 HA VAL 499 9.617 25.922 16.779 191 HB VAL 499 HB VAL 499 8.738 23.640 16.843 192 HG11 VAL 499 1HG1 VAL 499 10.817 22.411 16.970 193 HG12 VAL 499 2HG1 VAL 499 11.107 23.997 16.240 194 HG13 VAL 499 3HG1 VAL 499 11.571 23.698 17.929 195 HG21 VAL 499 3HG2 VAL 499 9.760 23.490 19.707 196 HG22 VAL 499 1HG2 VAL 499 8.056 23.436 19.207 197 HG23 VAL 499 2HG2 VAL 499 9.150 22.130 18.747 198 H LYS 500 H LYS 500 7.407 25.494 16.084 199 HA LYS 500 HA LYS 500 5.311 26.513 17.985 200 HB2 LYS 500 1HB LYS 500 5.560 27.190 15.025 201 HB3 LYS 500 2HB LYS 500 4.437 27.887 16.176 202 HG2 LYS 500 1HG LYS 500 7.444 28.317 16.043 203 HG3 LYS 500 2HG LYS 500 6.191 29.443 15.562 204 HD2 LYS 500 1HD LYS 500 6.839 28.549 18.394 205 HD3 LYS 500 2HD LYS 500 7.186 30.113 17.686 206 HE2 LYS 500 1HE LYS 500 4.398 28.976 18.184 207 HE3 LYS 500 2HE LYS 500 5.248 30.107 19.237 208 HZ1 LYS 500 3HZ LYS 500 4.445 30.697 16.429 209 HZ2 LYS 500 1HZ LYS 500 5.257 31.726 17.408 210 HZ3 LYS 500 2HZ LYS 500 3.728 31.290 17.769 211 H GLN 501 H GLN 501 3.118 26.032 17.326 212 HA GLN 501 HA GLN 501 2.693 23.291 16.588 213 HB2 GLN 501 1HB GLN 501 1.325 24.452 18.192 214 HB3 GLN 501 2HB GLN 501 0.782 25.626 16.987 215 HG2 GLN 501 1HG GLN 501 -0.535 23.987 15.836 216 HG3 GLN 501 2HG GLN 501 0.204 22.652 16.717 217 HE21 GLN 501 2HE2 GLN 501 -2.471 22.603 16.633 218 HE22 GLN 501 1HE2 GLN 501 -3.168 23.146 18.153 219 H ARG 502 H ARG 502 3.296 25.862 14.502 220 HA ARG 502 HA ARG 502 2.222 24.302 12.187 221 HB2 ARG 502 1HB ARG 502 2.108 27.321 12.569 222 HB3 ARG 502 2HB ARG 502 1.814 26.495 11.034 223 HG2 ARG 502 1HG ARG 502 -0.028 25.169 12.126 224 HG3 ARG 502 2HG ARG 502 0.205 26.124 13.597 225 HD2 ARG 502 1HD ARG 502 -1.651 27.035 12.375 226 HD3 ARG 502 2HD ARG 502 -0.310 28.193 12.331 227 HE ARG 502 HE ARG 502 -0.264 26.459 10.013 228 HH11 ARG 502 1HH1 ARG 502 -2.037 29.224 11.237 229 HH12 ARG 502 2HH1 ARG 502 -2.419 29.800 9.632 230 HH21 ARG 502 1HH2 ARG 502 -0.766 27.255 8.005 231 HH22 ARG 502 2HH2 ARG 502 -1.719 28.708 7.855 232 H ASP 503 H ASP 503 4.962 24.585 13.574 233 HA ASP 503 HA ASP 503 6.538 25.304 11.125 234 HB2 ASP 503 1HB ASP 503 7.342 24.799 14.002 235 HB3 ASP 503 2HB ASP 503 8.487 24.730 12.663 236 H VAL 504 H VAL 504 7.311 23.797 9.834 237 HA VAL 504 HA VAL 504 7.312 20.936 10.699 238 HB VAL 504 HB VAL 504 5.770 21.511 8.785 239 HG11 VAL 504 1HG1 VAL 504 6.657 21.804 6.557 240 HG12 VAL 504 2HG1 VAL 504 7.226 23.130 7.583 241 HG13 VAL 504 3HG1 VAL 504 8.323 21.795 7.156 242 HG21 VAL 504 3HG2 VAL 504 7.963 19.463 8.387 243 HG22 VAL 504 1HG2 VAL 504 6.371 19.238 9.132 244 HG23 VAL 504 2HG2 VAL 504 6.492 19.554 7.399 245 H LEU 505 H LEU 505 9.223 19.869 10.641 246 HA LEU 505 HA LEU 505 11.661 21.311 9.708 247 HB2 LEU 505 1HB LEU 505 11.485 20.074 12.482 248 HB3 LEU 505 2HB LEU 505 12.795 20.978 11.751 249 HG LEU 505 HG LEU 505 10.959 22.941 11.665 250 HD11 LEU 505 1HD1 LEU 505 9.606 22.920 13.748 251 HD12 LEU 505 2HD1 LEU 505 10.200 21.299 14.134 252 HD13 LEU 505 3HD1 LEU 505 9.154 21.548 12.730 253 HD21 LEU 505 3HD2 LEU 505 12.394 22.252 14.250 254 HD22 LEU 505 1HD2 LEU 505 11.888 23.851 13.680 255 HD23 LEU 505 2HD2 LEU 505 13.180 22.983 12.840 256 H GLU 506 H GLU 506 13.577 19.933 9.686 257 HA GLU 506 HA GLU 506 12.840 17.148 8.919 258 HB2 GLU 506 1HB GLU 506 13.455 18.364 7.030 259 HB3 GLU 506 2HB GLU 506 14.827 19.119 7.814 260 HG2 GLU 506 1HG GLU 506 15.334 17.391 6.071 261 HG3 GLU 506 2HG GLU 506 16.173 17.227 7.615 262 H VAL 507 H VAL 507 13.640 15.510 9.915 263 HA VAL 507 HA VAL 507 15.136 15.831 12.372 264 HB VAL 507 HB VAL 507 14.242 13.266 10.998 265 HG11 VAL 507 1HG1 VAL 507 14.263 12.370 13.318 266 HG12 VAL 507 2HG1 VAL 507 15.874 12.879 12.811 267 HG13 VAL 507 3HG1 VAL 507 14.925 13.907 13.908 268 HG21 VAL 507 3HG2 VAL 507 12.766 15.010 13.020 269 HG22 VAL 507 1HG2 VAL 507 12.276 14.689 11.338 270 HG23 VAL 507 2HG2 VAL 507 12.278 13.378 12.508 271 H LEU 508 H LEU 508 17.211 15.760 12.663 272 HA LEU 508 HA LEU 508 19.026 14.728 10.522 273 HB2 LEU 508 1HB LEU 508 19.608 16.562 12.872 274 HB3 LEU 508 2HB LEU 508 20.687 16.181 11.531 275 HG LEU 508 HG LEU 508 18.071 17.749 11.333 276 HD11 LEU 508 1HD1 LEU 508 20.979 18.618 11.227 277 HD12 LEU 508 2HD1 LEU 508 19.780 18.988 12.494 278 HD13 LEU 508 3HD1 LEU 508 19.586 19.656 10.878 279 HD21 LEU 508 3HD2 LEU 508 18.777 18.291 9.037 280 HD22 LEU 508 1HD2 LEU 508 18.514 16.557 9.220 281 HD23 LEU 508 2HD2 LEU 508 20.176 17.197 9.207 282 H ASP 509 H ASP 509 18.292 14.419 13.980 283 HA ASP 509 HA ASP 509 19.576 11.776 14.058 284 HB2 ASP 509 1HB ASP 509 20.404 14.068 15.890 285 HB3 ASP 509 2HB ASP 509 20.603 12.377 16.322 286 H ASP 510 H ASP 510 18.409 10.418 15.210 287 HA ASP 510 HA ASP 510 16.248 11.350 17.044 288 HB2 ASP 510 1HB ASP 510 14.769 9.736 16.047 289 HB3 ASP 510 2HB ASP 510 15.382 10.794 14.797 290 H SER 511 H SER 511 19.051 10.103 17.423 291 HA SER 511 HA SER 511 18.812 7.426 18.371 292 HB2 SER 511 1HB SER 511 21.068 7.874 19.343 293 HB3 SER 511 2HB SER 511 20.915 8.311 17.633 294 HG SER 511 HG SER 511 21.954 9.965 18.773 295 H ARG 512 H ARG 512 18.290 10.475 20.044 296 HA ARG 512 HA ARG 512 17.603 9.052 22.598 297 HB2 ARG 512 1HB ARG 512 18.793 11.839 22.273 298 HB3 ARG 512 2HB ARG 512 18.493 11.000 23.794 299 HG2 ARG 512 1HG ARG 512 20.570 10.277 21.687 300 HG3 ARG 512 2HG ARG 512 20.845 11.048 23.224 301 HD2 ARG 512 1HD ARG 512 19.414 8.586 23.730 302 HD3 ARG 512 2HD ARG 512 20.703 8.234 22.593 303 HE ARG 512 HE ARG 512 20.933 8.873 25.417 304 HH11 ARG 512 1HH1 ARG 512 22.794 9.082 22.442 305 HH12 ARG 512 2HH1 ARG 512 24.314 9.027 23.299 306 HH21 ARG 512 1HH2 ARG 512 22.891 8.794 26.422 307 HH22 ARG 512 2HH2 ARG 512 24.362 8.869 25.488 308 H LYS 513 H LYS 513 16.274 10.678 24.046 309 HA LYS 513 HA LYS 513 13.727 11.158 22.892 310 HB2 LYS 513 1HB LYS 513 14.083 10.906 25.291 311 HB3 LYS 513 2HB LYS 513 15.052 12.386 25.345 312 HG2 LYS 513 1HG LYS 513 12.989 13.705 24.697 313 HG3 LYS 513 2HG LYS 513 12.075 12.194 24.705 314 HD2 LYS 513 1HD LYS 513 11.633 13.220 26.785 315 HD3 LYS 513 2HD LYS 513 12.770 11.909 27.139 316 HE2 LYS 513 1HE LYS 513 14.640 13.664 27.004 317 HE3 LYS 513 2HE LYS 513 13.378 14.894 26.876 318 HZ1 LYS 513 3HZ LYS 513 14.072 14.629 29.176 319 HZ2 LYS 513 1HZ LYS 513 13.751 13.029 29.166 320 HZ3 LYS 513 2HZ LYS 513 12.529 14.109 29.053 321 H TRP 514 H TRP 514 16.419 13.402 23.374 322 HA TRP 514 HA TRP 514 15.037 15.686 22.175 323 HB2 TRP 514 1HB TRP 514 17.941 15.274 22.964 324 HB3 TRP 514 2HB TRP 514 17.218 16.785 22.435 325 HD1 TRP 514 HD1 TRP 514 17.408 14.490 25.459 326 HE1 TRP 514 HE1 TRP 514 16.421 15.674 27.513 327 HE3 TRP 514 HE3 TRP 514 15.575 18.699 23.180 328 HZ2 TRP 514 HZ2 TRP 514 14.859 18.046 28.062 329 HZ3 TRP 514 HZ3 TRP 514 14.356 20.388 24.466 330 HH2 TRP 514 HH2 TRP 514 13.969 20.084 26.923 331 H TRP 515 H TRP 515 14.491 15.382 20.084 332 HA TRP 515 HA TRP 515 16.312 14.112 18.129 333 HB2 TRP 515 1HB TRP 515 13.523 15.310 17.961 334 HB3 TRP 515 2HB TRP 515 14.446 14.845 16.539 335 HD1 TRP 515 HD1 TRP 515 14.767 12.525 19.486 336 HE1 TRP 515 HE1 TRP 515 13.637 10.296 18.994 337 HE3 TRP 515 HE3 TRP 515 12.272 13.841 15.214 338 HZ2 TRP 515 HZ2 TRP 515 11.857 9.206 17.005 339 HZ3 TRP 515 HZ3 TRP 515 10.880 12.156 14.022 340 HH2 TRP 515 HH2 TRP 515 10.681 9.846 14.892 341 H LYS 516 H LYS 516 17.657 15.150 16.841 342 HA LYS 516 HA LYS 516 17.912 18.103 16.980 343 HB2 LYS 516 1HB LYS 516 19.920 16.523 16.940 344 HB3 LYS 516 2HB LYS 516 19.504 16.161 15.258 345 HG2 LYS 516 1HG LYS 516 19.630 18.614 14.741 346 HG3 LYS 516 2HG LYS 516 20.119 18.926 16.408 347 HD2 LYS 516 1HD LYS 516 22.194 17.665 16.075 348 HD3 LYS 516 2HD LYS 516 21.669 17.172 14.445 349 HE2 LYS 516 1HE LYS 516 21.550 19.544 13.755 350 HE3 LYS 516 2HE LYS 516 22.054 20.062 15.367 351 HZ1 LYS 516 3HZ LYS 516 23.833 20.019 13.696 352 HZ2 LYS 516 1HZ LYS 516 23.731 18.387 13.569 353 HZ3 LYS 516 2HZ LYS 516 24.200 19.062 14.990 354 H VAL 517 H VAL 517 17.152 19.465 15.461 355 HA VAL 517 HA VAL 517 16.241 18.405 12.836 356 HB VAL 517 HB VAL 517 14.183 19.782 12.998 357 HG11 VAL 517 1HG1 VAL 517 14.027 17.378 13.307 358 HG12 VAL 517 2HG1 VAL 517 14.322 17.553 15.054 359 HG13 VAL 517 3HG1 VAL 517 12.852 18.216 14.314 360 HG21 VAL 517 3HG2 VAL 517 13.279 20.390 15.215 361 HG22 VAL 517 1HG2 VAL 517 14.801 19.921 15.980 362 HG23 VAL 517 2HG2 VAL 517 14.759 21.295 14.851 363 H ARG 518 H ARG 518 15.904 19.949 11.197 364 HA ARG 518 HA ARG 518 17.411 22.536 11.477 365 HB2 ARG 518 1HB ARG 518 18.084 20.721 9.729 366 HB3 ARG 518 2HB ARG 518 16.604 21.155 8.888 367 HG2 ARG 518 1HG ARG 518 17.520 23.622 9.058 368 HG3 ARG 518 2HG ARG 518 19.063 22.856 9.444 369 HD2 ARG 518 1HD ARG 518 17.381 22.490 6.939 370 HD3 ARG 518 2HD ARG 518 18.913 23.370 7.055 371 HE ARG 518 HE ARG 518 19.661 20.882 7.885 372 HH11 ARG 518 1HH1 ARG 518 17.995 21.930 4.977 373 HH12 ARG 518 2HH1 ARG 518 18.517 20.533 4.070 374 HH21 ARG 518 1HH2 ARG 518 20.269 19.117 6.669 375 HH22 ARG 518 2HH2 ARG 518 19.772 18.996 5.003 376 H ASP 519 H ASP 519 16.161 24.233 11.705 377 HA ASP 519 HA ASP 519 13.330 24.380 10.956 378 HB2 ASP 519 1HB ASP 519 13.632 26.749 11.820 379 HB3 ASP 519 2HB ASP 519 14.049 25.480 12.963 380 HA PRO 520 HA PRO 520 13.745 26.114 6.936 381 HB2 PRO 520 1HB PRO 520 11.725 27.979 6.752 382 HB3 PRO 520 2HB PRO 520 11.470 26.210 6.822 383 HG2 PRO 520 1HG PRO 520 11.366 28.183 9.124 384 HG3 PRO 520 2HG PRO 520 10.145 26.944 8.673 385 HD2 PRO 520 1HD PRO 520 11.954 26.440 10.588 386 HD3 PRO 520 2HD PRO 520 11.550 25.172 9.400 387 H ALA 521 H ALA 521 14.418 28.246 9.584 388 HA ALA 521 HA ALA 521 15.170 30.547 7.905 389 HB1 ALA 521 1HB ALA 521 15.651 30.033 10.869 390 HB2 ALA 521 2HB ALA 521 15.853 31.566 10.005 391 HB3 ALA 521 3HB ALA 521 14.234 30.863 10.184 392 H GLY 522 H GLY 522 16.656 27.606 8.962 393 HA2 GLY 522 1HA GLY 522 18.583 26.799 7.806 394 HA3 GLY 522 2HA GLY 522 19.238 28.433 7.711 395 H GLN 523 H GLN 523 17.983 27.715 10.859 396 HA GLN 523 HA GLN 523 20.726 27.363 11.961 397 HB2 GLN 523 1HB GLN 523 18.063 27.808 13.350 398 HB3 GLN 523 2HB GLN 523 19.617 27.739 14.143 399 HG2 GLN 523 1HG GLN 523 19.162 29.832 11.986 400 HG3 GLN 523 2HG GLN 523 18.397 30.001 13.546 401 HE21 GLN 523 2HE2 GLN 523 19.563 31.544 14.667 402 HE22 GLN 523 1HE2 GLN 523 21.315 31.529 14.816 403 H GLU 524 H GLU 524 20.423 25.814 14.086 404 HA GLU 524 HA GLU 524 18.887 23.364 13.516 405 HB2 GLU 524 1HB GLU 524 21.899 23.388 13.944 406 HB3 GLU 524 2HB GLU 524 20.891 21.950 14.127 407 HG2 GLU 524 1HG GLU 524 20.250 22.060 11.758 408 HG3 GLU 524 2HG GLU 524 21.242 23.512 11.539 409 H GLY 525 H GLY 525 18.479 22.130 15.432 410 HA2 GLY 525 1HA GLY 525 19.788 22.546 17.928 411 HA3 GLY 525 2HA GLY 525 18.313 23.499 17.917 412 H TYR 526 H TYR 526 18.064 21.950 19.826 413 HA TYR 526 HA TYR 526 16.988 19.283 19.013 414 HB2 TYR 526 1HB TYR 526 18.521 20.315 21.398 415 HB3 TYR 526 2HB TYR 526 17.618 18.813 21.464 416 HD1 TYR 526 HD1 TYR 526 20.458 20.550 19.734 417 HD2 TYR 526 HD2 TYR 526 18.493 16.796 20.497 418 HE1 TYR 526 HE1 TYR 526 22.411 19.334 18.784 419 HE2 TYR 526 HE2 TYR 526 20.447 15.576 19.585 420 HH TYR 526 HH TYR 526 22.535 15.757 18.672 421 H VAL 527 H VAL 527 15.150 18.501 19.894 422 HA VAL 527 HA VAL 527 13.571 19.924 21.927 423 HB VAL 527 HB VAL 527 11.510 19.776 20.427 424 HG11 VAL 527 1HG1 VAL 527 13.505 21.837 19.472 425 HG12 VAL 527 2HG1 VAL 527 11.739 21.959 19.574 426 HG13 VAL 527 3HG1 VAL 527 12.711 21.904 21.052 427 HG21 VAL 527 3HG2 VAL 527 11.761 19.941 18.023 428 HG22 VAL 527 1HG2 VAL 527 13.522 19.797 18.142 429 HG23 VAL 527 2HG2 VAL 527 12.491 18.422 18.577 430 HA PRO 528 HA PRO 528 12.472 15.733 22.868 431 HB2 PRO 528 1HB PRO 528 9.996 15.968 24.080 432 HB3 PRO 528 2HB PRO 528 11.542 16.461 24.841 433 HG2 PRO 528 1HG PRO 528 9.509 18.186 23.403 434 HG3 PRO 528 2HG PRO 528 10.337 18.507 24.958 435 HD2 PRO 528 1HD PRO 528 11.172 19.604 22.609 436 HD3 PRO 528 2HD PRO 528 12.324 19.120 23.881 437 H TYR 529 H TYR 529 11.687 14.030 21.655 438 HA TYR 529 HA TYR 529 10.073 14.397 19.376 439 HB2 TYR 529 1HB TYR 529 10.183 12.126 19.029 440 HB3 TYR 529 2HB TYR 529 11.646 12.483 19.922 441 HD1 TYR 529 HD2 TYR 529 11.756 11.884 22.401 442 HD2 TYR 529 HD1 TYR 529 8.549 10.569 19.847 443 HE1 TYR 529 HE2 TYR 529 11.218 10.069 24.022 444 HE2 TYR 529 HE1 TYR 529 7.990 8.772 21.477 445 HH TYR 529 HH TYR 529 8.537 7.773 23.459 446 H ASN 530 H ASN 530 8.982 14.051 22.646 447 HA ASN 530 HA ASN 530 6.464 12.893 22.405 448 HB2 ASN 530 1HB ASN 530 7.807 13.566 24.467 449 HB3 ASN 530 2HB ASN 530 7.220 15.211 24.242 450 HD21 ASN 530 2HD2 ASN 530 6.587 12.196 25.703 451 HD22 ASN 530 1HD2 ASN 530 4.927 12.532 26.173 452 H ILE 531 H ILE 531 7.362 16.207 21.537 453 HA ILE 531 HA ILE 531 4.530 16.924 20.949 454 HB ILE 531 HB ILE 531 5.275 19.218 20.843 455 HG12 ILE 531 1HG1 ILE 531 8.077 18.211 21.468 456 HG13 ILE 531 2HG1 ILE 531 7.555 18.847 19.906 457 HG21 ILE 531 1HG2 ILE 531 5.694 19.535 23.196 458 HG22 ILE 531 2HG2 ILE 531 4.677 18.103 23.030 459 HG23 ILE 531 3HG2 ILE 531 6.417 17.920 23.356 460 HD11 ILE 531 3HD1 ILE 531 7.054 21.035 21.020 461 HD12 ILE 531 1HD1 ILE 531 7.757 20.369 22.520 462 HD13 ILE 531 2HD1 ILE 531 8.765 20.558 21.079 463 H LEU 532 H LEU 532 6.891 15.461 19.253 464 HA LEU 532 HA LEU 532 6.416 16.879 16.668 465 HB2 LEU 532 1HB LEU 532 8.330 14.594 17.288 466 HB3 LEU 532 2HB LEU 532 8.261 15.551 15.814 467 HG LEU 532 HG LEU 532 9.137 16.523 18.566 468 HD11 LEU 532 1HD1 LEU 532 10.746 15.049 17.327 469 HD12 LEU 532 2HD1 LEU 532 11.340 16.692 17.600 470 HD13 LEU 532 3HD1 LEU 532 10.740 16.224 16.000 471 HD21 LEU 532 3HD2 LEU 532 9.034 18.048 15.930 472 HD22 LEU 532 1HD2 LEU 532 9.793 18.618 17.432 473 HD23 LEU 532 2HD2 LEU 532 8.048 18.370 17.376 474 H THR 533 H THR 533 5.549 15.783 14.921 475 HA THR 533 HA THR 533 4.665 12.973 15.221 476 HB THR 533 HB THR 533 2.437 13.528 14.178 477 HG1 THR 533 HG1 THR 533 3.382 16.115 14.541 478 HG21 THR 533 3HG2 THR 533 2.680 12.995 16.590 479 HG22 THR 533 1HG2 THR 533 1.322 14.058 16.228 480 HG23 THR 533 2HG2 THR 533 2.807 14.735 16.938 481 HA PRO 534 HA PRO 534 6.214 12.707 11.136 482 HB2 PRO 534 1HB PRO 534 4.527 10.942 9.838 483 HB3 PRO 534 2HB PRO 534 5.730 10.460 11.071 484 HG2 PRO 534 1HG PRO 534 2.773 11.013 11.475 485 HG3 PRO 534 2HG PRO 534 3.723 9.599 12.041 486 HD2 PRO 534 1HD PRO 534 3.208 11.651 13.695 487 HD3 PRO 534 2HD PRO 534 4.827 10.900 13.699 488 H TYR 535 H TYR 535 5.910 13.374 8.957 489 HA TYR 535 HA TYR 535 3.420 14.919 8.393 490 HB2 TYR 535 1HB TYR 535 5.356 16.360 8.779 491 HB3 TYR 535 2HB TYR 535 6.222 15.555 7.482 492 HD1 TYR 535 HD1 TYR 535 2.644 16.821 7.750 493 HD2 TYR 535 HD2 TYR 535 6.448 17.084 5.711 494 HE1 TYR 535 HE1 TYR 535 1.655 18.384 6.103 495 HE2 TYR 535 HE2 TYR 535 5.458 18.678 4.084 496 HH TYR 535 HH TYR 535 3.575 19.790 3.426 497 HA PRO 536 HA PRO 536 3.643 11.486 5.305 498 HB2 PRO 536 1HB PRO 536 1.147 10.470 5.586 499 HB3 PRO 536 2HB PRO 536 2.425 10.180 6.796 500 HG2 PRO 536 1HG PRO 536 0.259 12.316 6.893 501 HG3 PRO 536 2HG PRO 536 0.688 11.117 8.157 502 HD2 PRO 536 1HD PRO 536 1.703 13.661 8.171 503 HD3 PRO 536 2HD PRO 536 2.656 12.250 8.708 504 H ALA 537 H ALA 537 3.814 13.805 4.248 505 HA ALA 537 HA ALA 537 1.626 15.035 2.941 506 HB1 ALA 537 1HB ALA 537 4.552 14.830 2.111 507 HB2 ALA 537 2HB ALA 537 3.382 16.030 1.520 508 HB3 ALA 537 3HB ALA 537 3.862 16.031 3.228 509 H ALA 538 H ALA 538 1.107 15.076 0.666 510 HA ALA 538 HA ALA 538 1.316 12.459 -0.759 511 HB1 ALA 538 1HB ALA 538 -1.123 12.509 -1.092 512 HB2 ALA 538 2HB ALA 538 -0.699 12.423 0.628 513 HB3 ALA 538 3HB ALA 538 -1.242 13.962 -0.074 514 H ALA 539 H ALA 539 2.858 13.605 -2.070 515 HA ALA 539 HA ALA 539 2.173 15.847 -3.728 516 HB1 ALA 539 1HB ALA 539 4.222 15.213 -4.942 517 HB2 ALA 539 2HB ALA 539 4.483 15.162 -3.188 518 HB3 ALA 539 3HB ALA 539 4.256 13.649 -4.099 519 H SER 540 H SER 540 1.553 12.402 -4.086 520 HA SER 540 HA SER 540 0.983 12.247 -6.885 521 HB2 SER 540 1HB SER 540 -0.100 10.580 -4.579 522 HB3 SER 540 2HB SER 540 -0.209 10.169 -6.302 523 HG SER 540 HG SER 540 1.625 9.185 -5.321 Start of MODEL 12 1 H1 GLY 473 H GLY 473 0.042 1.734 4.024 2 HA2 GLY 473 1HA GLY 473 -0.583 -1.061 3.341 3 HA3 GLY 473 2HA GLY 473 -0.807 0.317 2.248 4 HA PRO 474 HA PRO 474 3.625 -1.223 1.817 5 HB2 PRO 474 1HB PRO 474 3.475 -2.675 -0.494 6 HB3 PRO 474 2HB PRO 474 3.169 -3.374 1.123 7 HG2 PRO 474 1HG PRO 474 1.131 -2.395 -0.895 8 HG3 PRO 474 2HG PRO 474 1.131 -3.930 0.022 9 HD2 PRO 474 1HD PRO 474 -0.308 -1.736 0.811 10 HD3 PRO 474 2HD PRO 474 0.427 -2.863 1.991 11 H LEU 475 H LEU 475 1.198 0.251 -0.281 12 HA LEU 475 HA LEU 475 3.038 1.457 -2.185 13 HB2 LEU 475 1HB LEU 475 0.139 1.995 -1.412 14 HB3 LEU 475 2HB LEU 475 1.029 3.050 -2.495 15 HG LEU 475 HG LEU 475 1.454 1.143 -4.043 16 HD11 LEU 475 1HD1 LEU 475 -0.072 -0.837 -3.873 17 HD12 LEU 475 2HD1 LEU 475 -0.516 -0.320 -2.230 18 HD13 LEU 475 3HD1 LEU 475 1.158 -0.801 -2.614 19 HD21 LEU 475 3HD2 LEU 475 -1.465 1.757 -3.418 20 HD22 LEU 475 1HD2 LEU 475 -0.830 1.143 -4.962 21 HD23 LEU 475 2HD2 LEU 475 -0.373 2.757 -4.403 22 H GLY 476 H GLY 476 3.892 3.473 -2.240 23 HA2 GLY 476 1HA GLY 476 3.260 5.758 -0.806 24 HA3 GLY 476 2HA GLY 476 4.467 4.942 0.193 25 H SER 477 H SER 477 4.945 7.465 -0.924 26 HA SER 477 HA SER 477 7.408 6.925 -2.401 27 HB2 SER 477 1HB SER 477 5.539 7.053 -4.165 28 HB3 SER 477 2HB SER 477 5.362 8.755 -3.714 29 HG SER 477 HG SER 477 7.567 7.410 -4.887 30 H GLY 478 H GLY 478 8.842 8.627 -2.449 31 HA2 GLY 478 1HA GLY 478 8.614 11.303 -2.018 32 HA3 GLY 478 2HA GLY 478 8.640 10.673 -0.369 33 H ALA 479 H ALA 479 10.565 12.365 -1.181 34 HA ALA 479 HA ALA 479 13.047 10.698 -1.070 35 HB1 ALA 479 1HB ALA 479 12.635 13.260 -2.680 36 HB2 ALA 479 2HB ALA 479 14.133 12.311 -2.576 37 HB3 ALA 479 3HB ALA 479 12.703 11.616 -3.357 38 H LEU 480 H LEU 480 11.267 12.300 0.893 39 HA LEU 480 HA LEU 480 13.392 13.539 2.473 40 HB2 LEU 480 1HB LEU 480 12.029 15.611 2.792 41 HB3 LEU 480 2HB LEU 480 12.881 15.525 1.287 42 HG LEU 480 HG LEU 480 9.913 14.806 1.438 43 HD11 LEU 480 1HD1 LEU 480 9.438 17.147 0.767 44 HD12 LEU 480 2HD1 LEU 480 11.146 17.562 1.039 45 HD13 LEU 480 3HD1 LEU 480 10.104 17.041 2.387 46 HD21 LEU 480 3HD2 LEU 480 10.853 14.240 -0.712 47 HD22 LEU 480 1HD2 LEU 480 11.785 15.759 -0.781 48 HD23 LEU 480 2HD2 LEU 480 10.008 15.763 -0.943 49 H LYS 481 H LYS 481 12.951 13.591 4.621 50 HA LYS 481 HA LYS 481 10.298 12.607 5.635 51 HB2 LYS 481 1HB LYS 481 13.106 11.774 6.469 52 HB3 LYS 481 2HB LYS 481 11.742 11.691 7.570 53 HG2 LYS 481 1HG LYS 481 12.009 9.541 6.716 54 HG3 LYS 481 2HG LYS 481 10.532 10.190 6.007 55 HD2 LYS 481 1HD LYS 481 11.632 10.470 3.845 56 HD3 LYS 481 2HD LYS 481 13.219 10.168 4.565 57 HE2 LYS 481 1HE LYS 481 12.541 8.207 3.355 58 HE3 LYS 481 2HE LYS 481 12.539 7.838 5.081 59 HZ1 LYS 481 3HZ LYS 481 10.112 8.086 5.065 60 HZ2 LYS 481 1HZ LYS 481 10.555 6.982 3.951 61 HZ3 LYS 481 2HZ LYS 481 10.114 8.480 3.474 62 H TRP 482 H TRP 482 9.356 14.005 6.851 63 HA TRP 482 HA TRP 482 10.834 16.071 8.436 64 HB2 TRP 482 1HB TRP 482 8.514 16.498 6.517 65 HB3 TRP 482 2HB TRP 482 9.013 17.649 7.741 66 HD1 TRP 482 HD1 TRP 482 10.688 15.874 4.744 67 HE1 TRP 482 HE1 TRP 482 12.295 17.517 3.592 68 HE3 TRP 482 HE3 TRP 482 9.992 19.960 7.750 69 HZ2 TRP 482 HZ2 TRP 482 13.071 20.247 3.845 70 HZ3 TRP 482 HZ3 TRP 482 11.140 22.104 7.234 71 HH2 TRP 482 HH2 TRP 482 12.679 22.265 5.285 72 H VAL 483 H VAL 483 9.485 17.048 10.095 73 HA VAL 483 HA VAL 483 7.307 15.264 11.118 74 HB VAL 483 HB VAL 483 8.185 15.573 13.405 75 HG11 VAL 483 1HG1 VAL 483 9.937 13.891 13.215 76 HG12 VAL 483 2HG1 VAL 483 8.575 13.511 12.150 77 HG13 VAL 483 3HG1 VAL 483 10.085 14.175 11.474 78 HG21 VAL 483 3HG2 VAL 483 10.640 16.733 12.001 79 HG22 VAL 483 1HG2 VAL 483 9.633 17.495 13.255 80 HG23 VAL 483 2HG2 VAL 483 10.643 16.098 13.659 81 H LEU 484 H LEU 484 5.527 16.260 11.459 82 HA LEU 484 HA LEU 484 5.300 19.183 11.532 83 HB2 LEU 484 1HB LEU 484 3.646 17.572 10.437 84 HB3 LEU 484 2HB LEU 484 3.223 17.011 12.048 85 HG LEU 484 HG LEU 484 2.447 19.349 12.609 86 HD11 LEU 484 1HD1 LEU 484 2.982 19.862 9.652 87 HD12 LEU 484 2HD1 LEU 484 3.750 20.693 11.029 88 HD13 LEU 484 3HD1 LEU 484 2.029 20.915 10.721 89 HD21 LEU 484 3HD2 LEU 484 0.399 19.230 11.260 90 HD22 LEU 484 1HD2 LEU 484 0.882 17.610 11.787 91 HD23 LEU 484 2HD2 LEU 484 1.192 18.125 10.115 92 H CYS 485 H CYS 485 5.158 20.399 13.437 93 HA CYS 485 HA CYS 485 5.640 19.075 16.001 94 HB2 CYS 485 1HB CYS 485 6.193 21.545 15.024 95 HB3 CYS 485 2HB CYS 485 4.664 21.892 15.829 96 HG CYS 485 HG CYS 485 5.377 21.425 18.216 97 H ASN 486 H ASN 486 4.106 18.760 17.694 98 HA ASN 486 HA ASN 486 1.230 18.999 16.900 99 HB2 ASN 486 1HB ASN 486 2.404 16.749 17.598 100 HB3 ASN 486 2HB ASN 486 2.269 17.364 19.221 101 HD21 ASN 486 2HD2 ASN 486 0.959 15.225 19.242 102 HD22 ASN 486 1HD2 ASN 486 -0.748 15.380 18.860 103 H TYR 487 H TYR 487 3.585 20.226 19.145 104 HA TYR 487 HA TYR 487 1.611 22.091 20.331 105 HB2 TYR 487 1HB TYR 487 3.545 20.377 21.956 106 HB3 TYR 487 2HB TYR 487 2.502 21.639 22.591 107 HD1 TYR 487 HD2 TYR 487 0.043 21.315 22.733 108 HD2 TYR 487 HD1 TYR 487 2.650 18.171 21.337 109 HE1 TYR 487 HE2 TYR 487 -1.825 19.672 22.929 110 HE2 TYR 487 HE1 TYR 487 0.789 16.540 21.514 111 HH TYR 487 HH TYR 487 -1.419 16.235 22.029 112 H ASP 488 H ASP 488 2.582 24.064 21.012 113 HA ASP 488 HA ASP 488 5.089 24.789 19.713 114 HB2 ASP 488 1HB ASP 488 3.691 26.406 21.850 115 HB3 ASP 488 2HB ASP 488 4.708 26.979 20.543 116 H PHE 489 H PHE 489 7.046 25.560 20.806 117 HA PHE 489 HA PHE 489 7.396 24.966 23.670 118 HB2 PHE 489 1HB PHE 489 7.755 22.795 22.618 119 HB3 PHE 489 2HB PHE 489 8.947 23.476 21.522 120 HD1 PHE 489 HD2 PHE 489 8.228 22.751 25.123 121 HD2 PHE 489 HD1 PHE 489 11.260 23.642 22.181 122 HE1 PHE 489 HE2 PHE 489 10.003 22.192 26.773 123 HE2 PHE 489 HE1 PHE 489 13.017 22.991 23.806 124 HZ PHE 489 HZ PHE 489 12.406 22.337 26.114 125 H GLN 490 H GLN 490 8.621 26.466 24.550 126 HA GLN 490 HA GLN 490 10.239 28.278 22.873 127 HB2 GLN 490 1HB GLN 490 10.301 29.729 24.777 128 HB3 GLN 490 2HB GLN 490 8.646 29.232 24.422 129 HG2 GLN 490 1HG GLN 490 8.787 27.570 26.326 130 HG3 GLN 490 2HG GLN 490 10.396 28.197 26.699 131 HE21 GLN 490 2HE2 GLN 490 9.019 28.398 28.836 132 HE22 GLN 490 1HE2 GLN 490 8.292 29.985 29.062 133 H ALA 491 H ALA 491 12.370 28.201 22.718 134 HA ALA 491 HA ALA 491 14.128 26.989 24.752 135 HB1 ALA 491 1HB ALA 491 15.004 25.655 22.547 136 HB2 ALA 491 2HB ALA 491 14.025 24.976 23.845 137 HB3 ALA 491 3HB ALA 491 13.255 25.529 22.338 138 H ARG 492 H ARG 492 15.778 28.351 24.876 139 HA ARG 492 HA ARG 492 17.291 29.266 22.509 140 HB2 ARG 492 1HB ARG 492 15.995 31.227 24.464 141 HB3 ARG 492 2HB ARG 492 17.396 31.644 23.475 142 HG2 ARG 492 1HG ARG 492 16.071 30.966 21.424 143 HG3 ARG 492 2HG ARG 492 14.634 30.936 22.468 144 HD2 ARG 492 1HD ARG 492 14.961 33.309 23.031 145 HD3 ARG 492 2HD ARG 492 16.484 33.333 22.149 146 HE ARG 492 HE ARG 492 15.390 33.409 20.109 147 HH11 ARG 492 1HH1 ARG 492 12.921 32.954 22.572 148 HH12 ARG 492 2HH1 ARG 492 11.631 33.300 21.446 149 HH21 ARG 492 1HH2 ARG 492 13.704 33.828 18.754 150 HH22 ARG 492 2HH2 ARG 492 12.067 33.773 19.350 151 H ASN 493 H ASN 493 17.651 27.418 24.800 152 HA ASN 493 HA ASN 493 19.852 28.494 26.411 153 HB2 ASN 493 1HB ASN 493 18.800 25.660 25.970 154 HB3 ASN 493 2HB ASN 493 20.039 26.094 27.134 155 HD21 ASN 493 2HD2 ASN 493 16.770 25.449 26.980 156 HD22 ASN 493 1HD2 ASN 493 16.290 26.419 28.366 157 H SER 494 H SER 494 21.940 27.013 26.355 158 HA SER 494 HA SER 494 23.467 27.953 24.260 159 HB2 SER 494 1HB SER 494 24.236 27.140 26.500 160 HB3 SER 494 2HB SER 494 24.063 25.477 25.920 161 HG SER 494 HG SER 494 25.822 27.505 24.965 162 H SER 495 H SER 495 21.668 24.934 24.186 163 HA SER 495 HA SER 495 22.506 24.450 21.371 164 HB2 SER 495 1HB SER 495 22.782 22.035 21.888 165 HB3 SER 495 2HB SER 495 23.953 23.064 22.716 166 HG SER 495 HG SER 495 23.082 21.532 24.152 167 H GLU 496 H GLU 496 19.962 25.466 22.703 168 HA GLU 496 HA GLU 496 18.039 23.410 21.640 169 HB2 GLU 496 1HB GLU 496 17.714 25.286 24.003 170 HB3 GLU 496 2HB GLU 496 16.429 24.295 23.307 171 HG2 GLU 496 1HG GLU 496 17.598 22.241 23.866 172 HG3 GLU 496 2HG GLU 496 18.975 23.177 24.474 173 H LEU 497 H LEU 497 16.135 24.207 20.620 174 HA LEU 497 HA LEU 497 16.082 27.065 19.810 175 HB2 LEU 497 1HB LEU 497 17.510 25.675 18.221 176 HB3 LEU 497 2HB LEU 497 16.057 24.768 17.822 177 HG LEU 497 HG LEU 497 15.410 27.578 17.595 178 HD11 LEU 497 1HD1 LEU 497 17.968 26.857 16.111 179 HD12 LEU 497 2HD1 LEU 497 17.825 28.025 17.445 180 HD13 LEU 497 3HD1 LEU 497 17.008 28.336 15.905 181 HD21 LEU 497 3HD2 LEU 497 15.905 25.458 15.482 182 HD22 LEU 497 1HD2 LEU 497 15.045 26.997 15.236 183 HD23 LEU 497 2HD2 LEU 497 14.371 25.768 16.320 184 H SER 498 H SER 498 14.047 27.851 19.583 185 HA SER 498 HA SER 498 11.819 26.351 20.520 186 HB2 SER 498 1HB SER 498 10.524 28.414 20.038 187 HB3 SER 498 2HB SER 498 12.007 28.705 20.945 188 HG SER 498 HG SER 498 11.378 29.428 18.315 189 H VAL 499 H VAL 499 9.771 26.007 19.575 190 HA VAL 499 HA VAL 499 9.484 25.926 16.626 191 HB VAL 499 HB VAL 499 8.580 23.622 16.676 192 HG11 VAL 499 1HG1 VAL 499 10.678 22.454 16.498 193 HG12 VAL 499 2HG1 VAL 499 10.868 24.085 15.837 194 HG13 VAL 499 3HG1 VAL 499 11.516 23.697 17.447 195 HG21 VAL 499 3HG2 VAL 499 9.220 22.050 18.453 196 HG22 VAL 499 1HG2 VAL 499 9.949 23.366 19.388 197 HG23 VAL 499 2HG2 VAL 499 8.191 23.331 19.106 198 H LYS 500 H LYS 500 7.245 25.257 15.958 199 HA LYS 500 HA LYS 500 5.151 26.214 17.873 200 HB2 LYS 500 1HB LYS 500 5.119 27.010 14.948 201 HB3 LYS 500 2HB LYS 500 4.253 27.693 16.305 202 HG2 LYS 500 1HG LYS 500 5.745 29.364 16.062 203 HG3 LYS 500 2HG LYS 500 6.767 28.345 17.088 204 HD2 LYS 500 1HD LYS 500 7.913 27.458 15.082 205 HD3 LYS 500 2HD LYS 500 6.793 28.342 14.028 206 HE2 LYS 500 1HE LYS 500 7.602 30.486 14.885 207 HE3 LYS 500 2HE LYS 500 8.690 29.662 16.011 208 HZ1 LYS 500 3HZ LYS 500 9.879 28.737 14.100 209 HZ2 LYS 500 1HZ LYS 500 9.824 30.366 13.951 210 HZ3 LYS 500 2HZ LYS 500 8.843 29.423 13.045 211 H GLN 501 H GLN 501 3.066 25.402 17.499 212 HA GLN 501 HA GLN 501 2.830 22.714 16.641 213 HB2 GLN 501 1HB GLN 501 1.395 23.715 18.306 214 HB3 GLN 501 2HB GLN 501 0.724 24.851 17.125 215 HG2 GLN 501 1HG GLN 501 -0.365 23.036 15.909 216 HG3 GLN 501 2HG GLN 501 0.444 21.824 16.897 217 HE21 GLN 501 2HE2 GLN 501 -1.985 21.186 17.000 218 HE22 GLN 501 1HE2 GLN 501 -2.897 21.894 18.324 219 H ARG 502 H ARG 502 2.502 25.632 14.712 220 HA ARG 502 HA ARG 502 1.475 24.015 12.408 221 HB2 ARG 502 1HB ARG 502 1.158 27.002 12.903 222 HB3 ARG 502 2HB ARG 502 0.525 26.079 11.532 223 HG2 ARG 502 1HG ARG 502 -0.725 24.626 13.284 224 HG3 ARG 502 2HG ARG 502 -0.301 25.882 14.454 225 HD2 ARG 502 1HD ARG 502 -2.501 26.368 13.674 226 HD3 ARG 502 2HD ARG 502 -1.416 27.571 12.951 227 HE ARG 502 HE ARG 502 -1.806 25.238 11.245 228 HH11 ARG 502 1HH1 ARG 502 -3.381 28.250 12.111 229 HH12 ARG 502 2HH1 ARG 502 -4.253 28.327 10.598 230 HH21 ARG 502 1HH2 ARG 502 -2.933 25.399 9.354 231 HH22 ARG 502 2HH2 ARG 502 -4.006 26.748 9.085 232 H ASP 503 H ASP 503 4.262 24.242 13.259 233 HA ASP 503 HA ASP 503 5.383 25.073 10.620 234 HB2 ASP 503 1HB ASP 503 5.933 26.632 12.517 235 HB3 ASP 503 2HB ASP 503 6.768 25.303 13.320 236 H VAL 504 H VAL 504 6.483 23.538 9.584 237 HA VAL 504 HA VAL 504 6.873 20.872 10.875 238 HB VAL 504 HB VAL 504 5.268 20.897 9.052 239 HG11 VAL 504 1HG1 VAL 504 5.884 21.265 6.721 240 HG12 VAL 504 2HG1 VAL 504 6.094 22.749 7.654 241 HG13 VAL 504 3HG1 VAL 504 7.511 21.778 7.195 242 HG21 VAL 504 3HG2 VAL 504 6.598 18.869 9.393 243 HG22 VAL 504 1HG2 VAL 504 6.149 19.082 7.703 244 HG23 VAL 504 2HG2 VAL 504 7.801 19.459 8.229 245 H LEU 505 H LEU 505 8.851 19.978 10.995 246 HA LEU 505 HA LEU 505 11.182 21.562 9.961 247 HB2 LEU 505 1HB LEU 505 10.676 20.376 12.727 248 HB3 LEU 505 2HB LEU 505 12.261 20.819 12.146 249 HG LEU 505 HG LEU 505 11.656 22.545 13.520 250 HD11 LEU 505 1HD1 LEU 505 11.749 24.499 12.152 251 HD12 LEU 505 2HD1 LEU 505 10.999 23.668 10.779 252 HD13 LEU 505 3HD1 LEU 505 12.630 23.207 11.306 253 HD21 LEU 505 3HD2 LEU 505 9.032 23.007 12.082 254 HD22 LEU 505 1HD2 LEU 505 9.671 23.886 13.472 255 HD23 LEU 505 2HD2 LEU 505 9.207 22.184 13.646 256 H GLU 506 H GLU 506 13.257 20.399 9.977 257 HA GLU 506 HA GLU 506 12.834 17.711 8.757 258 HB2 GLU 506 1HB GLU 506 13.776 19.441 7.322 259 HB3 GLU 506 2HB GLU 506 15.092 19.720 8.471 260 HG2 GLU 506 1HG GLU 506 15.954 17.456 8.100 261 HG3 GLU 506 2HG GLU 506 14.534 17.038 7.139 262 H VAL 507 H VAL 507 13.013 16.169 10.277 263 HA VAL 507 HA VAL 507 14.715 16.298 12.585 264 HB VAL 507 HB VAL 507 12.718 14.957 12.550 265 HG11 VAL 507 1HG1 VAL 507 14.066 13.014 10.642 266 HG12 VAL 507 2HG1 VAL 507 12.472 12.865 11.404 267 HG13 VAL 507 3HG1 VAL 507 12.752 14.130 10.212 268 HG21 VAL 507 3HG2 VAL 507 14.525 14.377 14.120 269 HG22 VAL 507 1HG2 VAL 507 13.565 12.962 13.653 270 HG23 VAL 507 2HG2 VAL 507 15.170 13.192 12.959 271 H LEU 508 H LEU 508 16.677 15.579 13.026 272 HA LEU 508 HA LEU 508 18.428 14.530 10.820 273 HB2 LEU 508 1HB LEU 508 19.148 16.363 13.132 274 HB3 LEU 508 2HB LEU 508 20.228 15.832 11.849 275 HG LEU 508 HG LEU 508 17.810 17.655 11.465 276 HD11 LEU 508 1HD1 LEU 508 19.553 19.402 11.182 277 HD12 LEU 508 2HD1 LEU 508 20.795 18.220 11.613 278 HD13 LEU 508 3HD1 LEU 508 19.546 18.702 12.796 279 HD21 LEU 508 3HD2 LEU 508 18.368 16.387 9.402 280 HD22 LEU 508 1HD2 LEU 508 20.061 16.909 9.540 281 HD23 LEU 508 2HD2 LEU 508 18.767 18.097 9.240 282 H ASP 509 H ASP 509 17.533 14.263 14.223 283 HA ASP 509 HA ASP 509 19.074 11.721 14.437 284 HB2 ASP 509 1HB ASP 509 19.129 14.077 16.354 285 HB3 ASP 509 2HB ASP 509 19.390 12.434 16.917 286 H ASP 510 H ASP 510 17.915 10.125 15.225 287 HA ASP 510 HA ASP 510 15.386 10.623 16.725 288 HB2 ASP 510 1HB ASP 510 14.273 8.922 15.320 289 HB3 ASP 510 2HB ASP 510 14.778 10.344 14.427 290 H SER 511 H SER 511 18.299 9.318 17.106 291 HA SER 511 HA SER 511 17.633 6.683 18.209 292 HB2 SER 511 1HB SER 511 19.718 7.214 16.938 293 HB3 SER 511 2HB SER 511 20.223 8.281 18.255 294 HG SER 511 HG SER 511 19.774 5.465 18.377 295 H ARG 512 H ARG 512 17.682 9.876 19.460 296 HA ARG 512 HA ARG 512 17.822 8.958 22.316 297 HB2 ARG 512 1HB ARG 512 18.523 11.385 22.781 298 HB3 ARG 512 2HB ARG 512 19.704 10.294 22.124 299 HG2 ARG 512 1HG ARG 512 19.600 11.283 19.940 300 HG3 ARG 512 2HG ARG 512 18.121 12.164 20.340 301 HD2 ARG 512 1HD ARG 512 20.053 13.667 20.323 302 HD3 ARG 512 2HD ARG 512 19.323 13.566 21.930 303 HE ARG 512 HE ARG 512 21.532 11.702 21.618 304 HH11 ARG 512 1HH1 ARG 512 20.897 15.098 22.261 305 HH12 ARG 512 2HH1 ARG 512 22.366 15.285 23.185 306 HH21 ARG 512 1HH2 ARG 512 23.384 12.023 22.813 307 HH22 ARG 512 2HH2 ARG 512 23.732 13.595 23.476 308 H LYS 513 H LYS 513 16.709 10.428 23.841 309 HA LYS 513 HA LYS 513 13.925 10.884 23.155 310 HB2 LYS 513 1HB LYS 513 15.596 11.692 25.566 311 HB3 LYS 513 2HB LYS 513 13.847 11.951 25.423 312 HG2 LYS 513 1HG LYS 513 13.400 9.578 25.294 313 HG3 LYS 513 2HG LYS 513 15.111 9.203 25.125 314 HD2 LYS 513 1HD LYS 513 14.582 8.615 27.292 315 HD3 LYS 513 2HD LYS 513 15.512 10.096 27.442 316 HE2 LYS 513 1HE LYS 513 12.452 9.987 27.538 317 HE3 LYS 513 2HE LYS 513 13.467 9.754 28.960 318 HZ1 LYS 513 3HZ LYS 513 13.337 12.248 27.359 319 HZ2 LYS 513 1HZ LYS 513 14.404 11.989 28.582 320 HZ3 LYS 513 2HZ LYS 513 12.803 12.024 28.878 321 H TRP 514 H TRP 514 16.754 12.865 22.836 322 HA TRP 514 HA TRP 514 15.093 15.333 22.427 323 HB2 TRP 514 1HB TRP 514 18.009 14.999 23.158 324 HB3 TRP 514 2HB TRP 514 17.292 16.507 22.635 325 HD1 TRP 514 HD1 TRP 514 17.182 14.065 25.586 326 HE1 TRP 514 HE1 TRP 514 16.240 15.277 27.648 327 HE3 TRP 514 HE3 TRP 514 15.881 18.505 23.391 328 HZ2 TRP 514 HZ2 TRP 514 15.023 17.833 28.251 329 HZ3 TRP 514 HZ3 TRP 514 14.837 20.319 24.728 330 HH2 TRP 514 HH2 TRP 514 14.402 19.995 27.156 331 H TRP 515 H TRP 515 14.393 14.880 20.348 332 HA TRP 515 HA TRP 515 16.183 14.066 18.208 333 HB2 TRP 515 1HB TRP 515 13.357 15.189 18.236 334 HB3 TRP 515 2HB TRP 515 14.230 14.809 16.758 335 HD1 TRP 515 HD1 TRP 515 14.825 12.331 19.502 336 HE1 TRP 515 HE1 TRP 515 13.623 10.140 19.050 337 HE3 TRP 515 HE3 TRP 515 11.922 13.824 15.541 338 HZ2 TRP 515 HZ2 TRP 515 11.697 9.114 17.165 339 HZ3 TRP 515 HZ3 TRP 515 10.406 12.177 14.441 340 HH2 TRP 515 HH2 TRP 515 10.286 9.844 15.231 341 H LYS 516 H LYS 516 17.377 15.210 16.908 342 HA LYS 516 HA LYS 516 17.583 18.155 17.245 343 HB2 LYS 516 1HB LYS 516 19.575 16.499 17.170 344 HB3 LYS 516 2HB LYS 516 19.261 16.371 15.443 345 HG2 LYS 516 1HG LYS 516 19.565 18.864 15.244 346 HG3 LYS 516 2HG LYS 516 19.811 18.953 16.991 347 HD2 LYS 516 1HD LYS 516 21.965 19.045 15.958 348 HD3 LYS 516 2HD LYS 516 21.819 17.477 16.761 349 HE2 LYS 516 1HE LYS 516 21.169 16.480 14.513 350 HE3 LYS 516 2HE LYS 516 21.495 18.062 13.784 351 HZ1 LYS 516 3HZ LYS 516 23.791 17.868 14.567 352 HZ2 LYS 516 1HZ LYS 516 23.417 16.601 13.604 353 HZ3 LYS 516 2HZ LYS 516 23.483 16.385 15.220 354 H VAL 517 H VAL 517 16.947 19.587 15.685 355 HA VAL 517 HA VAL 517 15.967 18.550 13.055 356 HB VAL 517 HB VAL 517 14.058 19.957 13.084 357 HG11 VAL 517 1HG1 VAL 517 13.996 18.275 15.616 358 HG12 VAL 517 2HG1 VAL 517 12.610 18.791 14.637 359 HG13 VAL 517 3HG1 VAL 517 13.782 17.657 13.966 360 HG21 VAL 517 3HG2 VAL 517 14.704 20.701 15.967 361 HG22 VAL 517 1HG2 VAL 517 14.708 21.801 14.570 362 HG23 VAL 517 2HG2 VAL 517 13.194 21.080 15.116 363 H ARG 518 H ARG 518 16.062 19.972 11.331 364 HA ARG 518 HA ARG 518 17.825 22.363 11.671 365 HB2 ARG 518 1HB ARG 518 18.228 20.470 9.892 366 HB3 ARG 518 2HB ARG 518 16.896 21.198 9.016 367 HG2 ARG 518 1HG ARG 518 18.176 23.438 9.246 368 HG3 ARG 518 2HG ARG 518 19.549 22.479 9.809 369 HD2 ARG 518 1HD ARG 518 18.129 22.233 7.125 370 HD3 ARG 518 2HD ARG 518 19.693 23.013 7.409 371 HE ARG 518 HE ARG 518 19.924 20.358 8.354 372 HH11 ARG 518 1HH1 ARG 518 19.510 21.948 5.255 373 HH12 ARG 518 2HH1 ARG 518 20.217 20.617 4.373 374 HH21 ARG 518 1HH2 ARG 518 20.773 18.673 7.157 375 HH22 ARG 518 2HH2 ARG 518 20.907 18.821 5.428 376 H ASP 519 H ASP 519 16.783 24.178 11.973 377 HA ASP 519 HA ASP 519 14.081 24.810 11.054 378 HB2 ASP 519 1HB ASP 519 14.666 27.091 11.931 379 HB3 ASP 519 2HB ASP 519 14.806 25.782 13.092 380 HA PRO 520 HA PRO 520 15.015 26.392 7.050 381 HB2 PRO 520 1HB PRO 520 13.200 28.425 6.682 382 HB3 PRO 520 2HB PRO 520 12.769 26.692 6.760 383 HG2 PRO 520 1HG PRO 520 12.679 28.720 9.014 384 HG3 PRO 520 2HG PRO 520 11.383 27.592 8.490 385 HD2 PRO 520 1HD PRO 520 13.002 26.973 10.553 386 HD3 PRO 520 2HD PRO 520 12.536 25.717 9.372 387 H ALA 521 H ALA 521 15.686 28.419 9.746 388 HA ALA 521 HA ALA 521 16.944 30.615 8.245 389 HB1 ALA 521 1HB ALA 521 18.002 30.867 10.703 390 HB2 ALA 521 2HB ALA 521 16.343 31.403 10.319 391 HB3 ALA 521 3HB ALA 521 16.617 29.859 11.142 392 H GLY 522 H GLY 522 17.809 27.369 9.123 393 HA2 GLY 522 1HA GLY 522 19.621 26.258 8.070 394 HA3 GLY 522 2HA GLY 522 20.510 27.776 7.944 395 H GLN 523 H GLN 523 19.095 27.340 11.052 396 HA GLN 523 HA GLN 523 21.723 26.600 12.247 397 HB2 GLN 523 1HB GLN 523 19.226 27.533 13.694 398 HB3 GLN 523 2HB GLN 523 20.868 27.421 14.306 399 HG2 GLN 523 1HG GLN 523 21.464 29.251 12.561 400 HG3 GLN 523 2HG GLN 523 19.749 29.380 12.258 401 HE21 GLN 523 2HE2 GLN 523 19.937 31.650 12.947 402 HE22 GLN 523 1HE2 GLN 523 19.926 32.002 14.672 403 H GLU 524 H GLU 524 21.050 25.322 14.495 404 HA GLU 524 HA GLU 524 19.168 23.107 13.979 405 HB2 GLU 524 1HB GLU 524 22.138 22.741 14.533 406 HB3 GLU 524 2HB GLU 524 20.944 21.488 14.886 407 HG2 GLU 524 1HG GLU 524 20.365 21.266 12.553 408 HG3 GLU 524 2HG GLU 524 21.369 22.653 12.114 409 H GLY 525 H GLY 525 18.418 22.130 15.888 410 HA2 GLY 525 1HA GLY 525 19.694 22.639 18.447 411 HA3 GLY 525 2HA GLY 525 18.169 23.509 18.303 412 H TYR 526 H TYR 526 18.598 21.681 20.259 413 HA TYR 526 HA TYR 526 17.295 19.118 19.541 414 HB2 TYR 526 1HB TYR 526 18.699 20.181 22.026 415 HB3 TYR 526 2HB TYR 526 17.901 18.621 21.958 416 HD1 TYR 526 HD1 TYR 526 18.613 16.984 20.064 417 HD2 TYR 526 HD2 TYR 526 21.038 20.244 21.496 418 HE1 TYR 526 HE1 TYR 526 20.636 15.831 19.220 419 HE2 TYR 526 HE2 TYR 526 23.083 19.080 20.667 420 HH TYR 526 HH TYR 526 22.889 16.006 18.813 421 H VAL 527 H VAL 527 15.341 18.475 20.239 422 HA VAL 527 HA VAL 527 13.811 19.902 22.329 423 HB VAL 527 HB VAL 527 11.758 19.831 20.848 424 HG11 VAL 527 1HG1 VAL 527 12.948 21.936 21.416 425 HG12 VAL 527 2HG1 VAL 527 13.875 21.790 19.911 426 HG13 VAL 527 3HG1 VAL 527 12.116 21.990 19.855 427 HG21 VAL 527 3HG2 VAL 527 13.741 19.718 18.537 428 HG22 VAL 527 1HG2 VAL 527 12.641 18.407 19.004 429 HG23 VAL 527 2HG2 VAL 527 11.987 19.951 18.431 430 HA PRO 528 HA PRO 528 12.612 15.705 23.186 431 HB2 PRO 528 1HB PRO 528 10.086 15.950 24.289 432 HB3 PRO 528 2HB PRO 528 11.613 16.326 25.139 433 HG2 PRO 528 1HG PRO 528 9.718 18.243 23.768 434 HG3 PRO 528 2HG PRO 528 10.536 18.424 25.346 435 HD2 PRO 528 1HD PRO 528 11.459 19.615 23.072 436 HD3 PRO 528 2HD PRO 528 12.565 19.009 24.334 437 H TYR 529 H TYR 529 11.669 13.984 22.073 438 HA TYR 529 HA TYR 529 10.257 14.514 19.617 439 HB2 TYR 529 1HB TYR 529 10.316 12.238 19.206 440 HB3 TYR 529 2HB TYR 529 11.770 12.550 20.127 441 HD1 TYR 529 HD2 TYR 529 11.980 11.736 22.458 442 HD2 TYR 529 HD1 TYR 529 8.498 10.852 20.084 443 HE1 TYR 529 HE2 TYR 529 11.343 9.946 24.072 444 HE2 TYR 529 HE1 TYR 529 7.855 9.064 21.693 445 HH TYR 529 HH TYR 529 8.408 7.953 23.610 446 H ASN 530 H ASN 530 9.086 14.020 22.856 447 HA ASN 530 HA ASN 530 6.557 12.905 22.424 448 HB2 ASN 530 1HB ASN 530 7.765 13.186 24.594 449 HB3 ASN 530 2HB ASN 530 7.424 14.919 24.548 450 HD21 ASN 530 2HD2 ASN 530 5.891 11.682 24.734 451 HD22 ASN 530 1HD2 ASN 530 4.438 12.269 25.531 452 H ILE 531 H ILE 531 7.526 16.195 21.762 453 HA ILE 531 HA ILE 531 4.712 17.082 21.336 454 HB ILE 531 HB ILE 531 5.646 19.350 21.186 455 HG12 ILE 531 1HG1 ILE 531 8.312 18.119 21.980 456 HG13 ILE 531 2HG1 ILE 531 7.929 18.626 20.332 457 HG21 ILE 531 1HG2 ILE 531 6.067 19.623 23.556 458 HG22 ILE 531 2HG2 ILE 531 4.851 18.363 23.335 459 HG23 ILE 531 3HG2 ILE 531 6.524 17.916 23.727 460 HD11 ILE 531 3HD1 ILE 531 8.093 20.431 22.765 461 HD12 ILE 531 1HD1 ILE 531 9.237 20.334 21.420 462 HD13 ILE 531 2HD1 ILE 531 7.596 20.947 21.128 463 H LEU 532 H LEU 532 6.765 15.439 19.485 464 HA LEU 532 HA LEU 532 6.153 16.915 16.947 465 HB2 LEU 532 1HB LEU 532 8.383 14.930 17.567 466 HB3 LEU 532 2HB LEU 532 8.090 15.692 16.009 467 HG LEU 532 HG LEU 532 8.909 17.175 18.551 468 HD11 LEU 532 1HD1 LEU 532 11.067 17.458 17.437 469 HD12 LEU 532 2HD1 LEU 532 10.524 16.461 16.071 470 HD13 LEU 532 3HD1 LEU 532 10.710 15.746 17.687 471 HD21 LEU 532 3HD2 LEU 532 9.329 19.071 16.982 472 HD22 LEU 532 1HD2 LEU 532 7.627 18.627 17.070 473 HD23 LEU 532 2HD2 LEU 532 8.596 18.125 15.665 474 H THR 533 H THR 533 5.361 15.728 15.210 475 HA THR 533 HA THR 533 4.647 12.872 15.605 476 HB THR 533 HB THR 533 2.425 13.485 14.399 477 HG1 THR 533 HG1 THR 533 1.662 15.523 14.817 478 HG21 THR 533 3HG2 THR 533 1.262 13.975 16.494 479 HG22 THR 533 1HG2 THR 533 2.801 14.395 17.280 480 HG23 THR 533 2HG2 THR 533 2.497 12.732 16.739 481 HA PRO 534 HA PRO 534 6.009 12.365 11.446 482 HB2 PRO 534 1HB PRO 534 4.274 10.530 10.352 483 HB3 PRO 534 2HB PRO 534 5.514 10.115 11.573 484 HG2 PRO 534 1HG PRO 534 2.579 10.736 12.042 485 HG3 PRO 534 2HG PRO 534 3.524 9.341 12.658 486 HD2 PRO 534 1HD PRO 534 3.099 11.511 14.193 487 HD3 PRO 534 2HD PRO 534 4.691 10.708 14.208 488 H TYR 535 H TYR 535 5.434 12.728 9.200 489 HA TYR 535 HA TYR 535 3.016 14.431 8.764 490 HB2 TYR 535 1HB TYR 535 5.191 15.652 8.898 491 HB3 TYR 535 2HB TYR 535 5.738 14.772 7.486 492 HD1 TYR 535 HD2 TYR 535 2.599 16.639 8.515 493 HD2 TYR 535 HD1 TYR 535 5.692 16.101 5.548 494 HE1 TYR 535 HE2 TYR 535 1.601 18.455 7.150 495 HE2 TYR 535 HE1 TYR 535 4.688 17.928 4.183 496 HH TYR 535 HH TYR 535 1.755 19.686 5.238 497 HA PRO 536 HA PRO 536 2.865 10.621 6.110 498 HB2 PRO 536 1HB PRO 536 0.330 9.773 6.655 499 HB3 PRO 536 2HB PRO 536 1.685 9.560 7.788 500 HG2 PRO 536 1HG PRO 536 -0.365 11.810 7.788 501 HG3 PRO 536 2HG PRO 536 0.099 10.740 9.151 502 HD2 PRO 536 1HD PRO 536 1.220 13.188 8.834 503 HD3 PRO 536 2HD PRO 536 2.179 11.784 9.396 504 H ALA 537 H ALA 537 3.000 12.844 4.747 505 HA ALA 537 HA ALA 537 0.560 13.643 3.387 506 HB1 ALA 537 1HB ALA 537 3.498 14.293 2.889 507 HB2 ALA 537 2HB ALA 537 2.105 15.153 2.195 508 HB3 ALA 537 3HB ALA 537 2.389 15.197 3.946 509 H ALA 538 H ALA 538 3.103 11.315 2.643 510 HA ALA 538 HA ALA 538 3.707 10.162 0.780 511 HB1 ALA 538 1HB ALA 538 1.831 8.913 1.769 512 HB2 ALA 538 2HB ALA 538 0.697 9.747 0.681 513 HB3 ALA 538 3HB ALA 538 1.937 8.659 0.019 514 H ALA 539 H ALA 539 3.799 12.785 0.050 515 HA ALA 539 HA ALA 539 3.810 14.289 -1.608 516 HB1 ALA 539 1HB ALA 539 3.948 11.847 -3.412 517 HB2 ALA 539 2HB ALA 539 4.519 13.485 -3.790 518 HB3 ALA 539 3HB ALA 539 5.308 12.549 -2.509 519 H SER 540 H SER 540 1.135 13.544 -0.721 520 HA SER 540 HA SER 540 -0.591 14.161 -3.067 521 HB2 SER 540 1HB SER 540 -1.200 12.304 -1.475 522 HB3 SER 540 2HB SER 540 -1.364 13.532 -0.196 523 HG SER 540 HG SER 540 -2.645 14.673 -1.894 Start of MODEL 13 1 H1 GLY 473 H GLY 473 12.984 7.994 -18.092 2 HA2 GLY 473 1HA GLY 473 15.482 8.484 -18.866 3 HA3 GLY 473 2HA GLY 473 14.637 9.911 -19.480 4 HA PRO 474 HA PRO 474 15.067 11.567 -15.383 5 HB2 PRO 474 1HB PRO 474 12.966 13.320 -15.160 6 HB3 PRO 474 2HB PRO 474 14.378 13.597 -16.221 7 HG2 PRO 474 1HG PRO 474 11.673 12.460 -16.985 8 HG3 PRO 474 2HG PRO 474 12.601 13.754 -17.807 9 HD2 PRO 474 1HD PRO 474 12.661 11.177 -18.668 10 HD3 PRO 474 2HD PRO 474 14.128 12.201 -18.722 11 H LEU 475 H LEU 475 14.628 10.835 -13.388 12 HA LEU 475 HA LEU 475 11.935 10.224 -12.476 13 HB2 LEU 475 1HB LEU 475 12.789 8.088 -13.673 14 HB3 LEU 475 2HB LEU 475 14.033 8.007 -12.434 15 HG LEU 475 HG LEU 475 12.126 7.911 -10.709 16 HD11 LEU 475 1HD1 LEU 475 10.323 8.734 -12.330 17 HD12 LEU 475 2HD1 LEU 475 9.932 7.283 -11.408 18 HD13 LEU 475 3HD1 LEU 475 10.431 7.149 -13.105 19 HD21 LEU 475 3HD2 LEU 475 11.676 5.523 -11.110 20 HD22 LEU 475 1HD2 LEU 475 13.388 5.924 -11.327 21 HD23 LEU 475 2HD2 LEU 475 12.352 5.673 -12.749 22 H GLY 476 H GLY 476 11.752 10.224 -10.235 23 HA2 GLY 476 1HA GLY 476 13.897 9.813 -8.407 24 HA3 GLY 476 2HA GLY 476 13.599 11.548 -8.549 25 H SER 477 H SER 477 13.279 10.037 -6.202 26 HA SER 477 HA SER 477 10.332 10.327 -5.645 27 HB2 SER 477 1HB SER 477 12.219 8.271 -4.433 28 HB3 SER 477 2HB SER 477 10.492 8.454 -4.095 29 HG SER 477 HG SER 477 11.707 7.693 -6.550 30 H GLY 478 H GLY 478 13.508 11.276 -4.720 31 HA2 GLY 478 1HA GLY 478 14.309 12.596 -3.012 32 HA3 GLY 478 2HA GLY 478 12.679 12.798 -2.380 33 H ALA 479 H ALA 479 14.755 12.537 -0.692 34 HA ALA 479 HA ALA 479 14.108 10.078 0.808 35 HB1 ALA 479 1HB ALA 479 16.966 10.866 0.082 36 HB2 ALA 479 2HB ALA 479 16.489 9.547 1.178 37 HB3 ALA 479 3HB ALA 479 16.076 9.456 -0.540 38 H LEU 480 H LEU 480 13.131 12.537 1.237 39 HA LEU 480 HA LEU 480 14.606 13.742 3.547 40 HB2 LEU 480 1HB LEU 480 12.371 14.873 1.808 41 HB3 LEU 480 2HB LEU 480 13.182 15.713 3.126 42 HG LEU 480 HG LEU 480 14.550 14.801 0.553 43 HD11 LEU 480 1HD1 LEU 480 12.895 16.574 0.146 44 HD12 LEU 480 2HD1 LEU 480 14.549 17.169 -0.061 45 HD13 LEU 480 3HD1 LEU 480 13.641 17.574 1.415 46 HD21 LEU 480 3HD2 LEU 480 15.528 16.598 2.812 47 HD22 LEU 480 1HD2 LEU 480 16.380 16.298 1.282 48 HD23 LEU 480 2HD2 LEU 480 16.143 14.976 2.427 49 H LYS 481 H LYS 481 13.607 13.947 5.494 50 HA LYS 481 HA LYS 481 10.881 12.779 5.878 51 HB2 LYS 481 1HB LYS 481 12.826 11.176 6.439 52 HB3 LYS 481 2HB LYS 481 13.240 12.289 7.734 53 HG2 LYS 481 1HG LYS 481 11.951 10.661 8.800 54 HG3 LYS 481 2HG LYS 481 10.781 11.963 8.555 55 HD2 LYS 481 1HD LYS 481 9.991 10.767 6.464 56 HD3 LYS 481 2HD LYS 481 11.111 9.454 6.826 57 HE2 LYS 481 1HE LYS 481 8.801 10.368 8.605 58 HE3 LYS 481 2HE LYS 481 8.755 8.998 7.496 59 HZ1 LYS 481 3HZ LYS 481 9.232 8.235 9.720 60 HZ2 LYS 481 1HZ LYS 481 10.534 9.203 9.868 61 HZ3 LYS 481 2HZ LYS 481 10.548 7.962 8.799 62 H TRP 482 H TRP 482 9.580 14.045 6.950 63 HA TRP 482 HA TRP 482 10.644 16.352 8.532 64 HB2 TRP 482 1HB TRP 482 8.301 16.326 6.600 65 HB3 TRP 482 2HB TRP 482 8.749 17.661 7.642 66 HD1 TRP 482 HD1 TRP 482 10.235 15.675 4.696 67 HE1 TRP 482 HE1 TRP 482 11.538 17.271 3.166 68 HE3 TRP 482 HE3 TRP 482 9.985 19.907 7.559 69 HZ2 TRP 482 HZ2 TRP 482 12.368 20.026 3.185 70 HZ3 TRP 482 HZ3 TRP 482 11.040 22.015 6.776 71 HH2 TRP 482 HH2 TRP 482 12.230 22.090 4.595 72 H VAL 483 H VAL 483 9.396 17.081 10.200 73 HA VAL 483 HA VAL 483 7.212 15.312 11.215 74 HB VAL 483 HB VAL 483 8.268 15.644 13.517 75 HG11 VAL 483 1HG1 VAL 483 8.170 13.492 12.317 76 HG12 VAL 483 2HG1 VAL 483 9.729 13.856 11.537 77 HG13 VAL 483 3HG1 VAL 483 9.630 13.655 13.301 78 HG21 VAL 483 3HG2 VAL 483 10.808 16.123 11.870 79 HG22 VAL 483 1HG2 VAL 483 10.068 17.278 12.994 80 HG23 VAL 483 2HG2 VAL 483 10.749 15.763 13.593 81 H LEU 484 H LEU 484 5.503 16.514 11.263 82 HA LEU 484 HA LEU 484 5.483 19.397 11.618 83 HB2 LEU 484 1HB LEU 484 3.717 17.961 10.407 84 HB3 LEU 484 2HB LEU 484 3.209 17.401 11.998 85 HG LEU 484 HG LEU 484 2.928 19.949 12.556 86 HD11 LEU 484 1HD1 LEU 484 2.922 20.078 9.521 87 HD12 LEU 484 2HD1 LEU 484 4.117 20.823 10.605 88 HD13 LEU 484 3HD1 LEU 484 2.441 21.381 10.631 89 HD21 LEU 484 3HD2 LEU 484 1.067 18.653 10.530 90 HD22 LEU 484 1HD2 LEU 484 0.673 20.005 11.615 91 HD23 LEU 484 2HD2 LEU 484 1.032 18.410 12.292 92 H CYS 485 H CYS 485 5.469 20.503 13.538 93 HA CYS 485 HA CYS 485 5.569 19.168 16.135 94 HB2 CYS 485 1HB CYS 485 5.299 21.999 15.102 95 HB3 CYS 485 2HB CYS 485 5.156 21.670 16.828 96 HG CYS 485 HG CYS 485 7.617 20.927 14.724 97 H ASN 486 H ASN 486 3.949 19.105 17.745 98 HA ASN 486 HA ASN 486 1.138 19.618 16.843 99 HB2 ASN 486 1HB ASN 486 2.038 17.226 17.496 100 HB3 ASN 486 2HB ASN 486 1.946 17.807 19.130 101 HD21 ASN 486 2HD2 ASN 486 0.405 15.889 19.199 102 HD22 ASN 486 1HD2 ASN 486 -1.269 16.210 18.771 103 H TYR 487 H TYR 487 3.554 20.694 19.030 104 HA TYR 487 HA TYR 487 1.692 22.547 20.384 105 HB2 TYR 487 1HB TYR 487 3.582 20.667 21.871 106 HB3 TYR 487 2HB TYR 487 2.636 21.956 22.596 107 HD1 TYR 487 HD1 TYR 487 0.145 21.787 22.754 108 HD2 TYR 487 HD2 TYR 487 2.558 18.530 21.261 109 HE1 TYR 487 HE1 TYR 487 -1.795 20.234 22.986 110 HE2 TYR 487 HE2 TYR 487 0.626 16.989 21.485 111 HH TYR 487 HH TYR 487 -1.574 16.780 22.085 112 H ASP 488 H ASP 488 2.753 24.380 21.260 113 HA ASP 488 HA ASP 488 5.337 25.153 20.159 114 HB2 ASP 488 1HB ASP 488 3.789 26.895 20.476 115 HB3 ASP 488 2HB ASP 488 3.350 26.355 22.084 116 H PHE 489 H PHE 489 7.261 25.361 21.160 117 HA PHE 489 HA PHE 489 7.654 24.769 24.013 118 HB2 PHE 489 1HB PHE 489 7.833 22.547 23.029 119 HB3 PHE 489 2HB PHE 489 8.961 23.121 21.819 120 HD1 PHE 489 HD1 PHE 489 8.556 22.526 25.496 121 HD2 PHE 489 HD2 PHE 489 11.319 23.185 22.248 122 HE1 PHE 489 HE1 PHE 489 10.449 21.839 26.956 123 HE2 PHE 489 HE2 PHE 489 13.195 22.447 23.696 124 HZ PHE 489 HZ PHE 489 12.768 21.792 26.050 125 H GLN 490 H GLN 490 8.611 26.656 24.533 126 HA GLN 490 HA GLN 490 10.400 28.056 22.674 127 HB2 GLN 490 1HB GLN 490 8.694 29.171 24.156 128 HB3 GLN 490 2HB GLN 490 9.691 28.746 25.555 129 HG2 GLN 490 1HG GLN 490 11.573 30.070 24.598 130 HG3 GLN 490 2HG GLN 490 10.598 30.432 23.168 131 HE21 GLN 490 2HE2 GLN 490 8.788 31.950 23.381 132 HE22 GLN 490 1HE2 GLN 490 8.679 32.982 24.802 133 H ALA 491 H ALA 491 12.557 27.703 22.571 134 HA ALA 491 HA ALA 491 14.076 26.623 24.898 135 HB1 ALA 491 1HB ALA 491 14.699 24.734 23.922 136 HB2 ALA 491 2HB ALA 491 13.038 24.843 23.319 137 HB3 ALA 491 3HB ALA 491 14.389 25.286 22.254 138 H ARG 492 H ARG 492 15.784 27.908 25.107 139 HA ARG 492 HA ARG 492 17.468 28.774 22.817 140 HB2 ARG 492 1HB ARG 492 15.768 30.566 24.580 141 HB3 ARG 492 2HB ARG 492 17.323 31.185 24.066 142 HG2 ARG 492 1HG ARG 492 15.191 30.208 22.137 143 HG3 ARG 492 2HG ARG 492 15.480 31.888 22.607 144 HD2 ARG 492 1HD ARG 492 17.891 31.563 21.798 145 HD3 ARG 492 2HD ARG 492 17.342 30.038 21.072 146 HE ARG 492 HE ARG 492 15.613 32.157 20.232 147 HH11 ARG 492 1HH1 ARG 492 18.892 31.046 19.660 148 HH12 ARG 492 2HH1 ARG 492 18.986 31.836 18.105 149 HH21 ARG 492 1HH2 ARG 492 15.809 33.154 18.249 150 HH22 ARG 492 2HH2 ARG 492 17.284 32.994 17.334 151 H ASN 493 H ASN 493 17.636 27.021 25.249 152 HA ASN 493 HA ASN 493 19.145 28.185 27.317 153 HB2 ASN 493 1HB ASN 493 18.896 25.333 26.305 154 HB3 ASN 493 2HB ASN 493 19.987 25.725 27.624 155 HD21 ASN 493 2HD2 ASN 493 19.051 25.081 29.502 156 HD22 ASN 493 1HD2 ASN 493 17.389 25.442 29.949 157 H SER 494 H SER 494 20.510 26.459 24.501 158 HA SER 494 HA SER 494 22.832 28.138 24.307 159 HB2 SER 494 1HB SER 494 23.600 26.917 26.300 160 HB3 SER 494 2HB SER 494 23.302 25.368 25.499 161 HG SER 494 HG SER 494 25.513 26.116 25.450 162 H SER 495 H SER 495 21.790 24.752 23.734 163 HA SER 495 HA SER 495 22.320 25.039 20.797 164 HB2 SER 495 1HB SER 495 22.906 22.609 22.533 165 HB3 SER 495 2HB SER 495 23.121 22.717 20.775 166 HG SER 495 HG SER 495 24.429 24.370 22.686 167 H GLU 496 H GLU 496 19.874 25.303 22.443 168 HA GLU 496 HA GLU 496 18.082 23.223 21.246 169 HB2 GLU 496 1HB GLU 496 17.848 24.991 23.716 170 HB3 GLU 496 2HB GLU 496 16.485 24.144 22.978 171 HG2 GLU 496 1HG GLU 496 17.383 22.002 23.413 172 HG3 GLU 496 2HG GLU 496 18.966 22.659 23.851 173 H LEU 497 H LEU 497 15.968 24.110 20.512 174 HA LEU 497 HA LEU 497 15.978 26.953 19.682 175 HB2 LEU 497 1HB LEU 497 17.153 25.518 17.897 176 HB3 LEU 497 2HB LEU 497 15.671 24.591 17.763 177 HG LEU 497 HG LEU 497 14.725 27.177 17.377 178 HD11 LEU 497 1HD1 LEU 497 16.220 28.303 15.828 179 HD12 LEU 497 2HD1 LEU 497 17.440 27.027 16.026 180 HD13 LEU 497 3HD1 LEU 497 17.026 28.089 17.393 181 HD21 LEU 497 3HD2 LEU 497 14.143 25.247 16.018 182 HD22 LEU 497 1HD2 LEU 497 15.762 25.245 15.287 183 HD23 LEU 497 2HD2 LEU 497 14.645 26.600 14.994 184 H SER 498 H SER 498 14.019 27.853 19.648 185 HA SER 498 HA SER 498 11.742 26.510 20.665 186 HB2 SER 498 1HB SER 498 10.516 28.600 20.062 187 HB3 SER 498 2HB SER 498 11.995 28.885 20.993 188 HG SER 498 HG SER 498 11.779 30.309 19.201 189 H VAL 499 H VAL 499 9.721 26.052 19.748 190 HA VAL 499 HA VAL 499 9.413 25.933 16.816 191 HB VAL 499 HB VAL 499 8.644 23.642 16.811 192 HG11 VAL 499 1HG1 VAL 499 11.019 24.062 16.269 193 HG12 VAL 499 2HG1 VAL 499 11.454 23.714 17.955 194 HG13 VAL 499 3HG1 VAL 499 10.743 22.446 16.939 195 HG21 VAL 499 3HG2 VAL 499 7.940 23.345 19.167 196 HG22 VAL 499 1HG2 VAL 499 9.033 22.070 18.644 197 HG23 VAL 499 2HG2 VAL 499 9.643 23.379 19.671 198 H LYS 500 H LYS 500 7.186 25.542 16.200 199 HA LYS 500 HA LYS 500 5.163 26.417 18.257 200 HB2 LYS 500 1HB LYS 500 5.062 27.078 15.288 201 HB3 LYS 500 2HB LYS 500 4.116 27.783 16.580 202 HG2 LYS 500 1HG LYS 500 7.055 28.248 15.950 203 HG3 LYS 500 2HG LYS 500 5.709 29.347 15.695 204 HD2 LYS 500 1HD LYS 500 6.930 28.556 18.366 205 HD3 LYS 500 2HD LYS 500 6.964 30.130 17.563 206 HE2 LYS 500 1HE LYS 500 4.399 30.104 17.708 207 HE3 LYS 500 2HE LYS 500 4.582 28.697 18.776 208 HZ1 LYS 500 3HZ LYS 500 4.423 30.843 19.970 209 HZ2 LYS 500 1HZ LYS 500 5.845 31.322 19.331 210 HZ3 LYS 500 2HZ LYS 500 5.773 29.998 20.325 211 H GLN 501 H GLN 501 2.940 25.805 17.685 212 HA GLN 501 HA GLN 501 2.656 23.030 17.048 213 HB2 GLN 501 1HB GLN 501 1.160 24.135 18.549 214 HB3 GLN 501 2HB GLN 501 0.647 25.296 17.319 215 HG2 GLN 501 1HG GLN 501 -0.562 23.614 16.092 216 HG3 GLN 501 2HG GLN 501 0.156 22.310 17.031 217 HE21 GLN 501 2HE2 GLN 501 -2.312 21.834 17.082 218 HE22 GLN 501 1HE2 GLN 501 -3.182 22.526 18.444 219 H ARG 502 H ARG 502 2.869 25.689 14.863 220 HA ARG 502 HA ARG 502 1.931 23.952 12.600 221 HB2 ARG 502 1HB ARG 502 1.835 26.994 12.774 222 HB3 ARG 502 2HB ARG 502 1.407 26.019 11.378 223 HG2 ARG 502 1HG ARG 502 -0.677 26.332 12.189 224 HG3 ARG 502 2HG ARG 502 -0.282 24.821 12.993 225 HD2 ARG 502 1HD ARG 502 -1.368 26.278 14.583 226 HD3 ARG 502 2HD ARG 502 0.310 26.128 15.063 227 HE ARG 502 HE ARG 502 0.673 28.382 14.623 228 HH11 ARG 502 1HH1 ARG 502 -2.481 27.580 13.292 229 HH12 ARG 502 2HH1 ARG 502 -2.865 29.256 12.991 230 HH21 ARG 502 1HH2 ARG 502 0.112 30.477 14.200 231 HH22 ARG 502 2HH2 ARG 502 -1.439 30.841 13.492 232 H ASP 503 H ASP 503 4.707 24.479 13.956 233 HA ASP 503 HA ASP 503 6.251 25.484 11.651 234 HB2 ASP 503 1HB ASP 503 6.759 25.903 14.124 235 HB3 ASP 503 2HB ASP 503 7.308 24.230 14.207 236 H VAL 504 H VAL 504 7.506 24.228 10.301 237 HA VAL 504 HA VAL 504 7.150 21.256 10.398 238 HB VAL 504 HB VAL 504 7.534 22.695 7.770 239 HG11 VAL 504 1HG1 VAL 504 6.122 20.100 8.544 240 HG12 VAL 504 2HG1 VAL 504 6.466 20.672 6.898 241 HG13 VAL 504 3HG1 VAL 504 7.793 20.209 7.963 242 HG21 VAL 504 3HG2 VAL 504 5.105 22.626 7.339 243 HG22 VAL 504 1HG2 VAL 504 4.818 22.252 9.048 244 HG23 VAL 504 2HG2 VAL 504 5.534 23.806 8.579 245 H LEU 505 H LEU 505 9.040 20.255 10.715 246 HA LEU 505 HA LEU 505 11.584 21.517 9.780 247 HB2 LEU 505 1HB LEU 505 11.279 20.217 12.504 248 HB3 LEU 505 2HB LEU 505 12.636 21.109 11.850 249 HG LEU 505 HG LEU 505 10.768 23.096 11.759 250 HD11 LEU 505 1HD1 LEU 505 8.978 21.688 12.804 251 HD12 LEU 505 2HD1 LEU 505 9.455 23.016 13.868 252 HD13 LEU 505 3HD1 LEU 505 10.043 21.379 14.187 253 HD21 LEU 505 3HD2 LEU 505 12.304 22.350 14.268 254 HD22 LEU 505 1HD2 LEU 505 11.706 23.956 13.811 255 HD23 LEU 505 2HD2 LEU 505 12.988 23.195 12.862 256 H GLU 506 H GLU 506 13.404 20.044 9.686 257 HA GLU 506 HA GLU 506 12.609 17.312 8.807 258 HB2 GLU 506 1HB GLU 506 15.300 18.712 8.633 259 HB3 GLU 506 2HB GLU 506 14.859 17.147 7.920 260 HG2 GLU 506 1HG GLU 506 13.273 18.189 6.428 261 HG3 GLU 506 2HG GLU 506 13.584 19.787 7.131 262 H VAL 507 H VAL 507 14.018 15.484 9.450 263 HA VAL 507 HA VAL 507 14.987 15.745 12.277 264 HB VAL 507 HB VAL 507 13.126 14.279 12.228 265 HG11 VAL 507 1HG1 VAL 507 13.059 12.154 11.016 266 HG12 VAL 507 2HG1 VAL 507 13.084 13.519 9.901 267 HG13 VAL 507 3HG1 VAL 507 14.562 12.564 10.164 268 HG21 VAL 507 3HG2 VAL 507 14.111 12.273 13.206 269 HG22 VAL 507 1HG2 VAL 507 15.680 12.635 12.485 270 HG23 VAL 507 2HG2 VAL 507 14.999 13.712 13.731 271 H LEU 508 H LEU 508 16.979 15.365 12.747 272 HA LEU 508 HA LEU 508 18.911 14.385 10.660 273 HB2 LEU 508 1HB LEU 508 19.251 16.393 12.922 274 HB3 LEU 508 2HB LEU 508 20.519 15.888 11.808 275 HG LEU 508 HG LEU 508 17.995 17.378 10.944 276 HD11 LEU 508 1HD1 LEU 508 20.781 18.292 11.746 277 HD12 LEU 508 2HD1 LEU 508 19.203 18.821 12.390 278 HD13 LEU 508 3HD1 LEU 508 19.711 19.265 10.744 279 HD21 LEU 508 3HD2 LEU 508 19.073 16.081 9.120 280 HD22 LEU 508 1HD2 LEU 508 20.635 16.843 9.504 281 HD23 LEU 508 2HD2 LEU 508 19.283 17.821 8.894 282 H ASP 509 H ASP 509 17.877 14.146 14.024 283 HA ASP 509 HA ASP 509 19.485 11.678 14.289 284 HB2 ASP 509 1HB ASP 509 20.861 13.410 15.395 285 HB3 ASP 509 2HB ASP 509 19.472 13.885 16.383 286 H ASP 510 H ASP 510 18.467 10.117 15.310 287 HA ASP 510 HA ASP 510 15.925 10.569 16.793 288 HB2 ASP 510 1HB ASP 510 14.862 8.771 15.503 289 HB3 ASP 510 2HB ASP 510 15.333 10.117 14.480 290 H SER 511 H SER 511 18.929 9.504 17.173 291 HA SER 511 HA SER 511 18.775 6.836 18.176 292 HB2 SER 511 1HB SER 511 20.830 8.064 17.460 293 HB3 SER 511 2HB SER 511 20.703 9.076 18.911 294 HG SER 511 HG SER 511 22.134 7.287 19.154 295 H ARG 512 H ARG 512 18.063 9.921 19.694 296 HA ARG 512 HA ARG 512 17.281 8.611 22.274 297 HB2 ARG 512 1HB ARG 512 18.827 11.227 21.892 298 HB3 ARG 512 2HB ARG 512 18.149 10.665 23.425 299 HG2 ARG 512 1HG ARG 512 19.550 8.590 23.235 300 HG3 ARG 512 2HG ARG 512 20.352 9.302 21.825 301 HD2 ARG 512 1HD ARG 512 21.121 11.214 23.177 302 HD3 ARG 512 2HD ARG 512 20.210 10.626 24.567 303 HE ARG 512 HE ARG 512 21.832 9.055 25.036 304 HH11 ARG 512 1HH1 ARG 512 22.611 10.361 21.865 305 HH12 ARG 512 2HH1 ARG 512 24.161 9.559 21.832 306 HH21 ARG 512 1HH2 ARG 512 23.800 8.076 24.915 307 HH22 ARG 512 2HH2 ARG 512 24.810 8.302 23.512 308 H LYS 513 H LYS 513 15.892 9.996 23.589 309 HA LYS 513 HA LYS 513 13.503 10.818 22.408 310 HB2 LYS 513 1HB LYS 513 12.918 11.776 24.558 311 HB3 LYS 513 2HB LYS 513 13.669 10.187 24.673 312 HG2 LYS 513 1HG LYS 513 15.902 11.514 25.114 313 HG3 LYS 513 2HG LYS 513 14.854 12.902 25.411 314 HD2 LYS 513 1HD LYS 513 14.459 10.202 26.736 315 HD3 LYS 513 2HD LYS 513 15.592 11.373 27.402 316 HE2 LYS 513 1HE LYS 513 12.635 11.987 26.942 317 HE3 LYS 513 2HE LYS 513 13.265 11.310 28.448 318 HZ1 LYS 513 3HZ LYS 513 14.067 13.935 27.308 319 HZ2 LYS 513 1HZ LYS 513 14.701 13.267 28.669 320 HZ3 LYS 513 2HZ LYS 513 13.131 13.700 28.626 321 H TRP 514 H TRP 514 16.332 12.859 23.003 322 HA TRP 514 HA TRP 514 14.979 15.308 22.061 323 HB2 TRP 514 1HB TRP 514 17.869 14.730 22.778 324 HB3 TRP 514 2HB TRP 514 17.256 16.278 22.234 325 HD1 TRP 514 HD1 TRP 514 17.361 14.051 25.294 326 HE1 TRP 514 HE1 TRP 514 16.522 15.353 27.345 327 HE3 TRP 514 HE3 TRP 514 15.646 18.253 22.937 328 HZ2 TRP 514 HZ2 TRP 514 15.111 17.827 27.870 329 HZ3 TRP 514 HZ3 TRP 514 14.604 20.097 24.241 330 HH2 TRP 514 HH2 TRP 514 14.312 19.883 26.698 331 H TRP 515 H TRP 515 14.285 14.857 19.980 332 HA TRP 515 HA TRP 515 16.085 13.802 17.918 333 HB2 TRP 515 1HB TRP 515 13.296 14.998 17.858 334 HB3 TRP 515 2HB TRP 515 14.204 14.649 16.394 335 HD1 TRP 515 HD1 TRP 515 14.411 12.217 19.292 336 HE1 TRP 515 HE1 TRP 515 13.373 9.974 18.652 337 HE3 TRP 515 HE3 TRP 515 12.295 13.572 14.828 338 HZ2 TRP 515 HZ2 TRP 515 11.838 8.892 16.485 339 HZ3 TRP 515 HZ3 TRP 515 11.094 11.872 13.463 340 HH2 TRP 515 HH2 TRP 515 10.850 9.542 14.277 341 H LYS 516 H LYS 516 17.576 14.917 16.890 342 HA LYS 516 HA LYS 516 17.721 17.861 17.105 343 HB2 LYS 516 1HB LYS 516 19.751 16.244 17.028 344 HB3 LYS 516 2HB LYS 516 19.463 16.173 15.283 345 HG2 LYS 516 1HG LYS 516 19.647 18.669 15.175 346 HG3 LYS 516 2HG LYS 516 19.829 18.722 16.926 347 HD2 LYS 516 1HD LYS 516 21.962 19.050 16.082 348 HD3 LYS 516 2HD LYS 516 21.976 17.403 16.687 349 HE2 LYS 516 1HE LYS 516 21.376 17.905 13.764 350 HE3 LYS 516 2HE LYS 516 23.022 18.132 14.340 351 HZ1 LYS 516 3HZ LYS 516 22.756 15.887 13.553 352 HZ2 LYS 516 1HZ LYS 516 21.529 15.574 14.591 353 HZ3 LYS 516 2HZ LYS 516 23.044 15.853 15.152 354 H VAL 517 H VAL 517 16.937 19.254 15.706 355 HA VAL 517 HA VAL 517 15.867 18.331 13.057 356 HB VAL 517 HB VAL 517 13.929 19.716 13.355 357 HG11 VAL 517 1HG1 VAL 517 14.135 17.905 15.794 358 HG12 VAL 517 2HG1 VAL 517 12.666 18.402 14.936 359 HG13 VAL 517 3HG1 VAL 517 13.832 17.335 14.140 360 HG21 VAL 517 3HG2 VAL 517 14.913 20.319 16.168 361 HG22 VAL 517 1HG2 VAL 517 14.699 21.479 14.841 362 HG23 VAL 517 2HG2 VAL 517 13.293 20.680 15.556 363 H ARG 518 H ARG 518 15.443 20.063 11.566 364 HA ARG 518 HA ARG 518 17.216 22.463 11.869 365 HB2 ARG 518 1HB ARG 518 18.439 20.940 10.603 366 HB3 ARG 518 2HB ARG 518 17.090 20.523 9.541 367 HG2 ARG 518 1HG ARG 518 17.272 22.511 8.319 368 HG3 ARG 518 2HG ARG 518 18.047 23.384 9.638 369 HD2 ARG 518 1HD ARG 518 19.653 22.972 7.883 370 HD3 ARG 518 2HD ARG 518 20.118 22.099 9.352 371 HE ARG 518 HE ARG 518 18.619 20.290 7.810 372 HH11 ARG 518 1HH1 ARG 518 21.665 21.983 7.399 373 HH12 ARG 518 2HH1 ARG 518 22.290 20.779 6.301 374 HH21 ARG 518 1HH2 ARG 518 19.485 18.792 6.396 375 HH22 ARG 518 2HH2 ARG 518 21.096 19.017 5.776 376 H ASP 519 H ASP 519 16.180 24.190 11.734 377 HA ASP 519 HA ASP 519 13.440 24.490 10.786 378 HB2 ASP 519 1HB ASP 519 13.915 26.890 11.509 379 HB3 ASP 519 2HB ASP 519 14.124 25.667 12.754 380 HA PRO 520 HA PRO 520 14.246 25.870 6.692 381 HB2 PRO 520 1HB PRO 520 12.406 27.872 6.244 382 HB3 PRO 520 2HB PRO 520 12.001 26.140 6.427 383 HG2 PRO 520 1HG PRO 520 11.924 28.287 8.567 384 HG3 PRO 520 2HG PRO 520 10.634 27.116 8.129 385 HD2 PRO 520 1HD PRO 520 12.286 26.628 10.188 386 HD3 PRO 520 2HD PRO 520 11.837 25.304 9.080 387 H ALA 521 H ALA 521 14.985 28.092 9.225 388 HA ALA 521 HA ALA 521 16.071 30.182 7.447 389 HB1 ALA 521 1HB ALA 521 15.003 30.777 9.605 390 HB2 ALA 521 2HB ALA 521 16.265 29.870 10.469 391 HB3 ALA 521 3HB ALA 521 16.696 31.298 9.518 392 H GLY 522 H GLY 522 17.155 27.177 8.749 393 HA2 GLY 522 1HA GLY 522 19.065 26.115 7.835 394 HA3 GLY 522 2HA GLY 522 19.882 27.666 7.652 395 H GLN 523 H GLN 523 18.428 27.409 10.772 396 HA GLN 523 HA GLN 523 21.048 26.831 12.052 397 HB2 GLN 523 1HB GLN 523 18.373 27.622 13.250 398 HB3 GLN 523 2HB GLN 523 19.871 27.463 14.136 399 HG2 GLN 523 1HG GLN 523 19.657 29.441 11.824 400 HG3 GLN 523 2HG GLN 523 18.964 29.784 13.386 401 HE21 GLN 523 2HE2 GLN 523 20.385 31.497 13.935 402 HE22 GLN 523 1HE2 GLN 523 22.096 31.217 14.237 403 H GLU 524 H GLU 524 20.508 25.461 14.250 404 HA GLU 524 HA GLU 524 18.809 23.100 13.709 405 HB2 GLU 524 1HB GLU 524 21.804 23.000 14.195 406 HB3 GLU 524 2HB GLU 524 20.748 21.662 14.646 407 HG2 GLU 524 1HG GLU 524 20.066 21.316 12.343 408 HG3 GLU 524 2HG GLU 524 20.962 22.741 11.814 409 H GLY 525 H GLY 525 18.247 21.946 15.640 410 HA2 GLY 525 1HA GLY 525 19.411 22.656 18.198 411 HA3 GLY 525 2HA GLY 525 17.775 23.294 18.019 412 H TYR 526 H TYR 526 18.534 21.481 19.977 413 HA TYR 526 HA TYR 526 17.266 18.886 19.280 414 HB2 TYR 526 1HB TYR 526 18.632 20.007 21.756 415 HB3 TYR 526 2HB TYR 526 17.780 18.474 21.752 416 HD1 TYR 526 HD1 TYR 526 18.465 16.664 20.064 417 HD2 TYR 526 HD2 TYR 526 20.923 20.086 20.996 418 HE1 TYR 526 HE1 TYR 526 20.471 15.443 19.244 419 HE2 TYR 526 HE2 TYR 526 22.927 18.870 20.159 420 HH TYR 526 HH TYR 526 23.734 16.916 19.294 421 H VAL 527 H VAL 527 15.267 18.285 19.875 422 HA VAL 527 HA VAL 527 13.689 19.745 21.894 423 HB VAL 527 HB VAL 527 11.678 19.702 20.329 424 HG11 VAL 527 1HG1 VAL 527 13.831 21.681 19.532 425 HG12 VAL 527 2HG1 VAL 527 12.073 21.885 19.449 426 HG13 VAL 527 3HG1 VAL 527 12.875 21.781 21.022 427 HG21 VAL 527 3HG2 VAL 527 12.018 19.867 17.937 428 HG22 VAL 527 1HG2 VAL 527 13.769 19.654 18.122 429 HG23 VAL 527 2HG2 VAL 527 12.672 18.320 18.509 430 HA PRO 528 HA PRO 528 12.528 15.590 22.767 431 HB2 PRO 528 1HB PRO 528 10.102 15.829 24.043 432 HB3 PRO 528 2HB PRO 528 11.663 16.324 24.761 433 HG2 PRO 528 1HG PRO 528 9.598 18.062 23.400 434 HG3 PRO 528 2HG PRO 528 10.481 18.370 24.926 435 HD2 PRO 528 1HD PRO 528 11.239 19.462 22.534 436 HD3 PRO 528 2HD PRO 528 12.422 19.004 23.790 437 H TYR 529 H TYR 529 11.661 13.896 21.607 438 HA TYR 529 HA TYR 529 10.082 14.299 19.306 439 HB2 TYR 529 1HB TYR 529 10.171 12.033 18.966 440 HB3 TYR 529 2HB TYR 529 11.607 12.323 19.916 441 HD1 TYR 529 HD2 TYR 529 11.370 11.920 22.540 442 HD2 TYR 529 HD1 TYR 529 8.634 10.367 19.588 443 HE1 TYR 529 HE2 TYR 529 10.652 10.165 24.141 444 HE2 TYR 529 HE1 TYR 529 7.895 8.621 21.204 445 HH TYR 529 HH TYR 529 9.310 8.353 24.481 446 H ASN 530 H ASN 530 8.952 14.067 22.574 447 HA ASN 530 HA ASN 530 6.393 12.929 22.178 448 HB2 ASN 530 1HB ASN 530 7.724 13.321 24.328 449 HB3 ASN 530 2HB ASN 530 7.172 14.994 24.286 450 HD21 ASN 530 2HD2 ASN 530 6.443 11.836 25.354 451 HD22 ASN 530 1HD2 ASN 530 4.772 12.138 25.799 452 H ILE 531 H ILE 531 7.417 16.356 21.906 453 HA ILE 531 HA ILE 531 4.681 17.273 21.284 454 HB ILE 531 HB ILE 531 5.631 19.472 20.981 455 HG12 ILE 531 1HG1 ILE 531 8.353 18.209 21.437 456 HG13 ILE 531 2HG1 ILE 531 7.775 18.857 19.902 457 HG21 ILE 531 1HG2 ILE 531 5.074 18.603 23.260 458 HG22 ILE 531 2HG2 ILE 531 6.793 18.211 23.500 459 HG23 ILE 531 3HG2 ILE 531 6.276 19.895 23.266 460 HD11 ILE 531 3HD1 ILE 531 9.244 20.458 20.861 461 HD12 ILE 531 1HD1 ILE 531 7.596 21.108 21.004 462 HD13 ILE 531 2HD1 ILE 531 8.418 20.392 22.423 463 H LEU 532 H LEU 532 7.251 15.913 19.474 464 HA LEU 532 HA LEU 532 6.473 17.122 16.890 465 HB2 LEU 532 1HB LEU 532 8.388 14.839 17.526 466 HB3 LEU 532 2HB LEU 532 8.180 15.610 15.963 467 HG LEU 532 HG LEU 532 9.314 16.941 18.459 468 HD11 LEU 532 1HD1 LEU 532 10.798 15.260 17.381 469 HD12 LEU 532 2HD1 LEU 532 11.425 16.906 17.227 470 HD13 LEU 532 3HD1 LEU 532 10.639 16.128 15.844 471 HD21 LEU 532 3HD2 LEU 532 8.168 18.622 17.095 472 HD22 LEU 532 1HD2 LEU 532 8.986 18.032 15.629 473 HD23 LEU 532 2HD2 LEU 532 9.913 18.804 16.934 474 H THR 533 H THR 533 5.681 15.877 15.147 475 HA THR 533 HA THR 533 4.520 13.209 15.640 476 HB THR 533 HB THR 533 2.375 14.141 14.410 477 HG1 THR 533 HG1 THR 533 3.607 16.400 14.704 478 HG21 THR 533 3HG2 THR 533 2.766 14.789 17.352 479 HG22 THR 533 1HG2 THR 533 2.383 13.181 16.699 480 HG23 THR 533 2HG2 THR 533 1.232 14.514 16.504 481 HA PRO 534 HA PRO 534 5.531 12.685 11.301 482 HB2 PRO 534 1HB PRO 534 3.511 11.079 10.352 483 HB3 PRO 534 2HB PRO 534 4.816 10.486 11.422 484 HG2 PRO 534 1HG PRO 534 2.027 11.383 12.214 485 HG3 PRO 534 2HG PRO 534 2.876 9.874 12.683 486 HD2 PRO 534 1HD PRO 534 2.835 12.022 14.318 487 HD3 PRO 534 2HD PRO 534 4.318 11.040 14.158 488 H TYR 535 H TYR 535 4.795 13.316 9.169 489 HA TYR 535 HA TYR 535 2.414 15.123 9.116 490 HB2 TYR 535 1HB TYR 535 4.600 16.287 9.026 491 HB3 TYR 535 2HB TYR 535 4.964 15.450 7.531 492 HD1 TYR 535 HD2 TYR 535 1.866 17.200 8.870 493 HD2 TYR 535 HD1 TYR 535 4.832 16.973 5.738 494 HE1 TYR 535 HE2 TYR 535 0.708 19.020 7.640 495 HE2 TYR 535 HE1 TYR 535 3.677 18.807 4.519 496 HH TYR 535 HH TYR 535 1.920 20.266 4.514 497 HA PRO 536 HA PRO 536 1.605 11.653 6.175 498 HB2 PRO 536 1HB PRO 536 -0.886 10.931 6.987 499 HB3 PRO 536 2HB PRO 536 0.573 10.536 7.928 500 HG2 PRO 536 1HG PRO 536 -1.277 12.916 8.336 501 HG3 PRO 536 2HG PRO 536 -0.764 11.699 9.551 502 HD2 PRO 536 1HD PRO 536 0.523 14.075 9.284 503 HD3 PRO 536 2HD PRO 536 1.412 12.565 9.646 504 H ALA 537 H ALA 537 1.716 14.114 5.118 505 HA ALA 537 HA ALA 537 -0.679 15.273 4.091 506 HB1 ALA 537 1HB ALA 537 0.864 16.335 2.474 507 HB2 ALA 537 2HB ALA 537 1.511 16.401 4.126 508 HB3 ALA 537 3HB ALA 537 2.155 15.218 2.962 509 H ALA 538 H ALA 538 -1.862 14.947 2.255 510 HA ALA 538 HA ALA 538 -1.746 12.324 0.956 511 HB1 ALA 538 1HB ALA 538 -3.681 14.660 0.673 512 HB2 ALA 538 2HB ALA 538 -3.881 13.045 -0.041 513 HB3 ALA 538 3HB ALA 538 -3.877 13.237 1.722 514 H ALA 539 H ALA 539 0.265 12.491 -0.186 515 HA ALA 539 HA ALA 539 0.795 14.395 -2.264 516 HB1 ALA 539 1HB ALA 539 1.774 11.530 -1.894 517 HB2 ALA 539 2HB ALA 539 2.489 12.748 -2.972 518 HB3 ALA 539 3HB ALA 539 2.527 12.992 -1.216 519 H SER 540 H SER 540 0.102 14.554 -4.308 520 HA SER 540 HA SER 540 -1.085 12.329 -5.848 521 HB2 SER 540 1HB SER 540 -2.657 14.878 -5.239 522 HB3 SER 540 2HB SER 540 -3.101 13.649 -6.435 523 HG SER 540 HG SER 540 -2.605 12.308 -4.263 Start of MODEL 14 1 H1 GLY 473 H GLY 473 15.868 10.820 -14.165 2 HA2 GLY 473 1HA GLY 473 16.653 12.945 -15.305 3 HA3 GLY 473 2HA GLY 473 16.206 12.102 -16.795 4 HA PRO 474 HA PRO 474 12.135 13.673 -16.096 5 HB2 PRO 474 1HB PRO 474 10.487 11.966 -17.444 6 HB3 PRO 474 2HB PRO 474 11.699 12.998 -18.263 7 HG2 PRO 474 1HG PRO 474 11.987 10.086 -17.449 8 HG3 PRO 474 2HG PRO 474 12.328 10.823 -19.048 9 HD2 PRO 474 1HD PRO 474 14.299 10.385 -17.231 10 HD3 PRO 474 2HD PRO 474 14.301 11.852 -18.257 11 H LEU 475 H LEU 475 12.740 10.431 -14.927 12 HA LEU 475 HA LEU 475 10.364 9.919 -13.425 13 HB2 LEU 475 1HB LEU 475 13.283 9.160 -12.976 14 HB3 LEU 475 2HB LEU 475 11.957 8.495 -12.033 15 HG LEU 475 HG LEU 475 12.113 8.196 -15.065 16 HD11 LEU 475 1HD1 LEU 475 14.087 7.152 -14.045 17 HD12 LEU 475 2HD1 LEU 475 12.962 5.927 -14.650 18 HD13 LEU 475 3HD1 LEU 475 13.049 6.266 -12.904 19 HD21 LEU 475 3HD2 LEU 475 10.558 6.321 -14.675 20 HD22 LEU 475 1HD2 LEU 475 9.862 7.833 -14.083 21 HD23 LEU 475 2HD2 LEU 475 10.553 6.668 -12.932 22 H GLY 476 H GLY 476 9.817 10.295 -11.289 23 HA2 GLY 476 1HA GLY 476 11.416 12.258 -9.697 24 HA3 GLY 476 2HA GLY 476 9.712 12.563 -10.020 25 H SER 477 H SER 477 11.501 11.845 -7.622 26 HA SER 477 HA SER 477 9.650 10.032 -6.184 27 HB2 SER 477 1HB SER 477 12.648 9.508 -6.479 28 HB3 SER 477 2HB SER 477 11.561 8.633 -5.393 29 HG SER 477 HG SER 477 10.389 7.959 -7.271 30 H GLY 478 H GLY 478 10.317 9.882 -3.841 31 HA2 GLY 478 1HA GLY 478 12.076 12.046 -2.840 32 HA3 GLY 478 2HA GLY 478 10.399 12.053 -2.290 33 H ALA 479 H ALA 479 12.970 11.656 -0.909 34 HA ALA 479 HA ALA 479 12.353 9.166 0.614 35 HB1 ALA 479 1HB ALA 479 14.133 8.706 -1.054 36 HB2 ALA 479 2HB ALA 479 15.098 10.048 -0.399 37 HB3 ALA 479 3HB ALA 479 14.758 8.616 0.600 38 H LEU 480 H LEU 480 11.959 12.157 1.037 39 HA LEU 480 HA LEU 480 13.644 12.682 3.439 40 HB2 LEU 480 1HB LEU 480 11.801 14.528 1.844 41 HB3 LEU 480 2HB LEU 480 12.687 14.945 3.300 42 HG LEU 480 HG LEU 480 14.847 14.372 2.030 43 HD11 LEU 480 1HD1 LEU 480 12.938 14.590 -0.347 44 HD12 LEU 480 2HD1 LEU 480 14.031 13.234 0.036 45 HD13 LEU 480 3HD1 LEU 480 14.701 14.776 -0.457 46 HD21 LEU 480 3HD2 LEU 480 14.913 16.599 0.996 47 HD22 LEU 480 1HD2 LEU 480 14.115 16.665 2.569 48 HD23 LEU 480 2HD2 LEU 480 13.140 16.712 1.078 49 H LYS 481 H LYS 481 12.796 12.712 5.426 50 HA LYS 481 HA LYS 481 9.890 12.082 5.837 51 HB2 LYS 481 1HB LYS 481 10.611 10.684 7.754 52 HB3 LYS 481 2HB LYS 481 11.032 10.052 6.168 53 HG2 LYS 481 1HG LYS 481 13.331 10.441 6.439 54 HG3 LYS 481 2HG LYS 481 13.096 11.668 7.680 55 HD2 LYS 481 1HD LYS 481 14.006 9.713 8.717 56 HD3 LYS 481 2HD LYS 481 12.346 9.940 9.286 57 HE2 LYS 481 1HE LYS 481 11.555 8.189 7.716 58 HE3 LYS 481 2HE LYS 481 13.198 8.005 7.079 59 HZ1 LYS 481 3HZ LYS 481 12.725 6.314 8.747 60 HZ2 LYS 481 1HZ LYS 481 12.380 7.434 9.882 61 HZ3 LYS 481 2HZ LYS 481 13.904 7.290 9.308 62 H TRP 482 H TRP 482 9.827 14.438 5.877 63 HA TRP 482 HA TRP 482 10.827 16.051 8.006 64 HB2 TRP 482 1HB TRP 482 8.289 16.307 6.350 65 HB3 TRP 482 2HB TRP 482 8.941 17.560 7.389 66 HD1 TRP 482 HD1 TRP 482 9.925 15.618 4.204 67 HE1 TRP 482 HE1 TRP 482 11.396 17.108 2.724 68 HE3 TRP 482 HE3 TRP 482 10.405 19.629 7.330 69 HZ2 TRP 482 HZ2 TRP 482 12.660 19.685 2.895 70 HZ3 TRP 482 HZ3 TRP 482 11.739 21.612 6.646 71 HH2 TRP 482 HH2 TRP 482 12.875 21.651 4.434 72 H VAL 483 H VAL 483 9.563 17.077 9.723 73 HA VAL 483 HA VAL 483 7.355 15.446 10.862 74 HB VAL 483 HB VAL 483 8.219 15.838 13.145 75 HG11 VAL 483 1HG1 VAL 483 9.767 13.986 13.152 76 HG12 VAL 483 2HG1 VAL 483 8.477 13.660 11.992 77 HG13 VAL 483 3HG1 VAL 483 10.076 14.158 11.414 78 HG21 VAL 483 3HG2 VAL 483 9.906 17.636 12.727 79 HG22 VAL 483 1HG2 VAL 483 10.636 16.219 13.500 80 HG23 VAL 483 2HG2 VAL 483 10.878 16.496 11.766 81 H LEU 484 H LEU 484 5.651 16.554 11.368 82 HA LEU 484 HA LEU 484 5.668 19.523 11.298 83 HB2 LEU 484 1HB LEU 484 3.943 17.785 10.209 84 HB3 LEU 484 2HB LEU 484 3.200 17.846 11.785 85 HG LEU 484 HG LEU 484 3.762 20.381 10.147 86 HD11 LEU 484 1HD1 LEU 484 1.472 20.200 9.280 87 HD12 LEU 484 2HD1 LEU 484 1.248 18.648 10.124 88 HD13 LEU 484 3HD1 LEU 484 2.410 18.787 8.791 89 HD21 LEU 484 3HD2 LEU 484 1.708 21.193 11.372 90 HD22 LEU 484 1HD2 LEU 484 3.128 20.973 12.368 91 HD23 LEU 484 2HD2 LEU 484 1.830 19.755 12.406 92 H CYS 485 H CYS 485 4.900 20.710 13.161 93 HA CYS 485 HA CYS 485 5.427 19.372 15.767 94 HB2 CYS 485 1HB CYS 485 6.491 21.593 14.913 95 HB3 CYS 485 2HB CYS 485 4.896 22.292 15.201 96 HG CYS 485 HG CYS 485 6.443 22.887 17.168 97 H ASN 486 H ASN 486 3.825 19.135 17.338 98 HA ASN 486 HA ASN 486 1.034 20.015 16.613 99 HB2 ASN 486 1HB ASN 486 2.095 17.611 18.122 100 HB3 ASN 486 2HB ASN 486 0.468 18.223 18.391 101 HD21 ASN 486 2HD2 ASN 486 -0.702 16.541 17.527 102 HD22 ASN 486 1HD2 ASN 486 -0.645 16.142 15.818 103 H TYR 487 H TYR 487 3.569 20.661 18.851 104 HA TYR 487 HA TYR 487 1.819 22.443 20.442 105 HB2 TYR 487 1HB TYR 487 3.617 20.347 21.731 106 HB3 TYR 487 2HB TYR 487 2.604 21.512 22.556 107 HD1 TYR 487 HD1 TYR 487 0.127 21.195 22.646 108 HD2 TYR 487 HD2 TYR 487 2.710 18.290 20.771 109 HE1 TYR 487 HE1 TYR 487 -1.726 19.523 22.660 110 HE2 TYR 487 HE2 TYR 487 0.872 16.622 20.802 111 HH TYR 487 HH TYR 487 -1.307 16.222 21.341 112 H ASP 488 H ASP 488 2.899 24.370 20.725 113 HA ASP 488 HA ASP 488 5.592 24.763 19.824 114 HB2 ASP 488 1HB ASP 488 5.386 26.986 20.541 115 HB3 ASP 488 2HB ASP 488 3.804 26.521 19.932 116 H PHE 489 H PHE 489 7.478 25.361 21.022 117 HA PHE 489 HA PHE 489 7.637 24.791 23.916 118 HB2 PHE 489 1HB PHE 489 7.881 22.572 22.957 119 HB3 PHE 489 2HB PHE 489 9.089 23.138 21.822 120 HD1 PHE 489 HD2 PHE 489 8.449 22.699 25.501 121 HD2 PHE 489 HD1 PHE 489 11.400 23.091 22.379 122 HE1 PHE 489 HE2 PHE 489 10.238 22.043 27.099 123 HE2 PHE 489 HE1 PHE 489 13.164 22.337 23.955 124 HZ PHE 489 HZ PHE 489 12.594 21.851 26.325 125 H GLN 490 H GLN 490 8.559 26.619 24.565 126 HA GLN 490 HA GLN 490 10.553 28.076 23.021 127 HB2 GLN 490 1HB GLN 490 10.631 29.576 24.949 128 HB3 GLN 490 2HB GLN 490 9.006 29.302 24.349 129 HG2 GLN 490 1HG GLN 490 8.325 28.801 26.410 130 HG3 GLN 490 2HG GLN 490 9.340 27.367 26.407 131 HE21 GLN 490 2HE2 GLN 490 11.559 27.564 27.292 132 HE22 GLN 490 1HE2 GLN 490 11.871 28.819 28.499 133 H ALA 491 H ALA 491 12.662 27.747 22.978 134 HA ALA 491 HA ALA 491 14.146 26.451 25.185 135 HB1 ALA 491 1HB ALA 491 14.465 25.194 22.493 136 HB2 ALA 491 2HB ALA 491 14.701 24.567 24.147 137 HB3 ALA 491 3HB ALA 491 13.068 24.752 23.490 138 H ARG 492 H ARG 492 15.872 27.682 25.437 139 HA ARG 492 HA ARG 492 17.566 28.620 23.173 140 HB2 ARG 492 1HB ARG 492 15.906 30.338 25.038 141 HB3 ARG 492 2HB ARG 492 17.465 30.964 24.557 142 HG2 ARG 492 1HG ARG 492 15.393 30.048 22.534 143 HG3 ARG 492 2HG ARG 492 15.493 31.690 23.147 144 HD2 ARG 492 1HD ARG 492 17.767 30.248 21.713 145 HD3 ARG 492 2HD ARG 492 16.624 31.321 20.923 146 HE ARG 492 HE ARG 492 18.859 32.069 22.681 147 HH11 ARG 492 1HH1 ARG 492 15.909 33.298 21.208 148 HH12 ARG 492 2HH1 ARG 492 16.389 34.958 21.447 149 HH21 ARG 492 1HH2 ARG 492 19.382 34.201 22.956 150 HH22 ARG 492 2HH2 ARG 492 18.296 35.448 22.407 151 H ASN 493 H ASN 493 17.697 26.753 25.577 152 HA ASN 493 HA ASN 493 19.206 27.883 27.665 153 HB2 ASN 493 1HB ASN 493 18.881 25.026 26.682 154 HB3 ASN 493 2HB ASN 493 19.943 25.411 28.027 155 HD21 ASN 493 2HD2 ASN 493 18.848 24.574 29.764 156 HD22 ASN 493 1HD2 ASN 493 17.228 25.090 30.215 157 H SER 494 H SER 494 20.580 26.058 24.910 158 HA SER 494 HA SER 494 22.908 27.721 24.714 159 HB2 SER 494 1HB SER 494 23.579 26.427 26.769 160 HB3 SER 494 2HB SER 494 23.448 24.933 25.835 161 HG SER 494 HG SER 494 25.232 27.118 25.448 162 H SER 495 H SER 495 21.793 24.357 24.142 163 HA SER 495 HA SER 495 22.453 24.602 21.225 164 HB2 SER 495 1HB SER 495 22.671 22.098 22.934 165 HB3 SER 495 2HB SER 495 23.117 22.268 21.229 166 HG SER 495 HG SER 495 24.695 23.834 21.926 167 H GLU 496 H GLU 496 19.932 24.952 22.878 168 HA GLU 496 HA GLU 496 18.079 23.002 21.558 169 HB2 GLU 496 1HB GLU 496 17.827 24.770 24.027 170 HB3 GLU 496 2HB GLU 496 16.484 23.912 23.265 171 HG2 GLU 496 1HG GLU 496 17.404 21.770 23.739 172 HG3 GLU 496 2HG GLU 496 18.951 22.463 24.243 173 H LEU 497 H LEU 497 16.068 23.968 20.703 174 HA LEU 497 HA LEU 497 16.187 26.847 20.014 175 HB2 LEU 497 1HB LEU 497 17.492 25.575 18.296 176 HB3 LEU 497 2HB LEU 497 16.070 24.618 17.921 177 HG LEU 497 HG LEU 497 15.634 27.575 17.818 178 HD11 LEU 497 1HD1 LEU 497 17.920 27.485 16.979 179 HD12 LEU 497 2HD1 LEU 497 16.773 27.872 15.683 180 HD13 LEU 497 3HD1 LEU 497 17.454 26.233 15.805 181 HD21 LEU 497 3HD2 LEU 497 15.073 25.374 15.798 182 HD22 LEU 497 1HD2 LEU 497 14.433 27.030 15.781 183 HD23 LEU 497 2HD2 LEU 497 13.948 25.906 17.058 184 H SER 498 H SER 498 14.289 27.804 19.941 185 HA SER 498 HA SER 498 11.985 26.441 20.860 186 HB2 SER 498 1HB SER 498 10.842 28.652 20.506 187 HB3 SER 498 2HB SER 498 12.335 28.750 21.448 188 HG SER 498 HG SER 498 12.180 29.259 18.659 189 H VAL 499 H VAL 499 10.293 25.513 19.869 190 HA VAL 499 HA VAL 499 9.949 25.872 16.904 191 HB VAL 499 HB VAL 499 8.982 23.660 16.774 192 HG11 VAL 499 1HG1 VAL 499 11.386 23.937 16.341 193 HG12 VAL 499 2HG1 VAL 499 11.746 23.597 18.045 194 HG13 VAL 499 3HG1 VAL 499 11.025 22.340 17.019 195 HG21 VAL 499 3HG2 VAL 499 9.143 22.022 18.567 196 HG22 VAL 499 1HG2 VAL 499 9.808 23.242 19.673 197 HG23 VAL 499 2HG2 VAL 499 8.131 23.370 19.084 198 H LYS 500 H LYS 500 7.827 25.732 16.070 199 HA LYS 500 HA LYS 500 5.676 26.756 17.910 200 HB2 LYS 500 1HB LYS 500 6.039 27.389 14.959 201 HB3 LYS 500 2HB LYS 500 4.892 28.135 16.039 202 HG2 LYS 500 1HG LYS 500 7.886 28.484 16.466 203 HG3 LYS 500 2HG LYS 500 7.009 29.386 15.244 204 HD2 LYS 500 1HD LYS 500 7.161 30.790 17.122 205 HD3 LYS 500 2HD LYS 500 5.474 30.285 16.987 206 HE2 LYS 500 1HE LYS 500 5.830 28.619 18.798 207 HE3 LYS 500 2HE LYS 500 7.543 29.067 18.881 208 HZ1 LYS 500 3HZ LYS 500 5.264 30.896 19.461 209 HZ2 LYS 500 1HZ LYS 500 6.841 31.321 19.527 210 HZ3 LYS 500 2HZ LYS 500 6.246 30.226 20.583 211 H GLN 501 H GLN 501 3.511 26.307 17.191 212 HA GLN 501 HA GLN 501 3.048 23.564 16.519 213 HB2 GLN 501 1HB GLN 501 1.621 25.085 17.930 214 HB3 GLN 501 2HB GLN 501 1.110 25.915 16.455 215 HG2 GLN 501 1HG GLN 501 0.138 23.702 15.653 216 HG3 GLN 501 2HG GLN 501 0.572 23.010 17.212 217 HE21 GLN 501 2HE2 GLN 501 -1.738 24.953 15.450 218 HE22 GLN 501 1HE2 GLN 501 -2.779 25.304 16.821 219 H ARG 502 H ARG 502 3.527 26.253 14.399 220 HA ARG 502 HA ARG 502 2.558 24.671 12.025 221 HB2 ARG 502 1HB ARG 502 2.551 27.705 12.396 222 HB3 ARG 502 2HB ARG 502 1.945 26.834 10.991 223 HG2 ARG 502 1HG ARG 502 0.767 26.680 13.805 224 HG3 ARG 502 2HG ARG 502 0.144 27.669 12.501 225 HD2 ARG 502 1HD ARG 502 0.359 24.632 12.312 226 HD3 ARG 502 2HD ARG 502 -1.063 25.487 12.924 227 HE ARG 502 HE ARG 502 -0.409 26.607 10.397 228 HH11 ARG 502 1HH1 ARG 502 -1.680 23.573 11.623 229 HH12 ARG 502 2HH1 ARG 502 -2.649 23.306 10.195 230 HH21 ARG 502 1HH2 ARG 502 -1.666 26.203 8.621 231 HH22 ARG 502 2HH2 ARG 502 -2.632 24.754 8.543 232 H ASP 503 H ASP 503 5.193 24.891 13.407 233 HA ASP 503 HA ASP 503 6.935 25.828 11.172 234 HB2 ASP 503 1HB ASP 503 7.426 26.683 13.396 235 HB3 ASP 503 2HB ASP 503 7.513 25.042 14.052 236 H VAL 504 H VAL 504 7.243 24.308 9.682 237 HA VAL 504 HA VAL 504 7.295 21.407 10.335 238 HB VAL 504 HB VAL 504 5.946 21.967 8.452 239 HG11 VAL 504 1HG1 VAL 504 6.982 24.126 7.719 240 HG12 VAL 504 2HG1 VAL 504 8.348 23.205 7.038 241 HG13 VAL 504 3HG1 VAL 504 6.707 22.986 6.395 242 HG21 VAL 504 3HG2 VAL 504 8.533 20.775 7.407 243 HG22 VAL 504 1HG2 VAL 504 7.305 19.882 8.332 244 HG23 VAL 504 2HG2 VAL 504 6.926 20.556 6.731 245 H LEU 505 H LEU 505 9.146 20.254 10.473 246 HA LEU 505 HA LEU 505 11.714 21.531 9.644 247 HB2 LEU 505 1HB LEU 505 11.434 20.049 12.272 248 HB3 LEU 505 2HB LEU 505 12.766 21.007 11.653 249 HG LEU 505 HG LEU 505 10.879 22.965 11.758 250 HD11 LEU 505 1HD1 LEU 505 10.276 21.114 14.126 251 HD12 LEU 505 2HD1 LEU 505 9.190 21.365 12.757 252 HD13 LEU 505 3HD1 LEU 505 9.578 22.719 13.831 253 HD21 LEU 505 3HD2 LEU 505 13.173 22.885 12.868 254 HD22 LEU 505 1HD2 LEU 505 12.372 22.155 14.268 255 HD23 LEU 505 2HD2 LEU 505 11.908 23.769 13.724 256 H GLU 506 H GLU 506 13.492 20.077 9.374 257 HA GLU 506 HA GLU 506 12.648 17.322 8.551 258 HB2 GLU 506 1HB GLU 506 13.693 18.807 6.846 259 HB3 GLU 506 2HB GLU 506 15.175 18.845 7.822 260 HG2 GLU 506 1HG GLU 506 15.309 16.359 7.651 261 HG3 GLU 506 2HG GLU 506 13.838 16.348 6.676 262 H VAL 507 H VAL 507 13.184 15.665 9.874 263 HA VAL 507 HA VAL 507 14.882 15.978 12.193 264 HB VAL 507 HB VAL 507 12.979 14.452 12.152 265 HG11 VAL 507 1HG1 VAL 507 14.612 12.544 10.434 266 HG12 VAL 507 2HG1 VAL 507 12.949 12.350 11.035 267 HG13 VAL 507 3HG1 VAL 507 13.309 13.563 9.797 268 HG21 VAL 507 3HG2 VAL 507 15.599 12.980 12.654 269 HG22 VAL 507 1HG2 VAL 507 14.798 14.097 13.784 270 HG23 VAL 507 2HG2 VAL 507 14.016 12.580 13.315 271 H LEU 508 H LEU 508 16.877 15.424 12.599 272 HA LEU 508 HA LEU 508 18.697 14.616 10.351 273 HB2 LEU 508 1HB LEU 508 19.208 16.395 12.768 274 HB3 LEU 508 2HB LEU 508 20.361 16.028 11.494 275 HG LEU 508 HG LEU 508 17.766 17.584 11.071 276 HD11 LEU 508 1HD1 LEU 508 20.629 18.462 11.571 277 HD12 LEU 508 2HD1 LEU 508 19.164 18.866 12.502 278 HD13 LEU 508 3HD1 LEU 508 19.392 19.524 10.879 279 HD21 LEU 508 3HD2 LEU 508 18.597 16.482 9.009 280 HD22 LEU 508 1HD2 LEU 508 20.195 17.219 9.263 281 HD23 LEU 508 2HD2 LEU 508 18.770 18.235 8.931 282 H ASP 509 H ASP 509 18.057 14.352 13.847 283 HA ASP 509 HA ASP 509 19.377 11.712 13.932 284 HB2 ASP 509 1HB ASP 509 20.106 14.016 15.793 285 HB3 ASP 509 2HB ASP 509 20.464 12.333 16.119 286 H ASP 510 H ASP 510 18.499 10.353 15.398 287 HA ASP 510 HA ASP 510 16.220 11.214 17.105 288 HB2 ASP 510 1HB ASP 510 14.856 9.388 16.112 289 HB3 ASP 510 2HB ASP 510 15.242 10.688 14.999 290 H SER 511 H SER 511 19.065 10.070 17.478 291 HA SER 511 HA SER 511 19.004 7.421 18.403 292 HB2 SER 511 1HB SER 511 20.814 9.692 19.310 293 HB3 SER 511 2HB SER 511 21.144 7.959 19.484 294 HG SER 511 HG SER 511 22.165 8.838 17.641 295 H ARG 512 H ARG 512 18.008 10.297 20.135 296 HA ARG 512 HA ARG 512 17.214 8.704 22.519 297 HB2 ARG 512 1HB ARG 512 18.632 11.417 22.663 298 HB3 ARG 512 2HB ARG 512 18.013 10.473 24.011 299 HG2 ARG 512 1HG ARG 512 19.693 8.623 23.237 300 HG3 ARG 512 2HG ARG 512 20.421 9.913 22.268 301 HD2 ARG 512 1HD ARG 512 21.647 9.891 24.284 302 HD3 ARG 512 2HD ARG 512 20.559 11.283 24.434 303 HE ARG 512 HE ARG 512 19.305 8.945 25.540 304 HH11 ARG 512 1HH1 ARG 512 21.933 11.114 26.374 305 HH12 ARG 512 2HH1 ARG 512 21.821 10.729 28.075 306 HH21 ARG 512 1HH2 ARG 512 19.226 8.498 27.704 307 HH22 ARG 512 2HH2 ARG 512 20.325 9.290 28.800 308 H LYS 513 H LYS 513 15.717 10.082 23.931 309 HA LYS 513 HA LYS 513 13.473 10.940 22.516 310 HB2 LYS 513 1HB LYS 513 12.600 11.896 24.555 311 HB3 LYS 513 2HB LYS 513 13.258 10.300 24.811 312 HG2 LYS 513 1HG LYS 513 14.859 12.805 25.507 313 HG3 LYS 513 2HG LYS 513 13.615 12.160 26.571 314 HD2 LYS 513 1HD LYS 513 14.832 9.912 26.468 315 HD3 LYS 513 2HD LYS 513 16.208 10.780 25.773 316 HE2 LYS 513 1HE LYS 513 14.890 11.621 28.390 317 HE3 LYS 513 2HE LYS 513 16.095 10.336 28.337 318 HZ1 LYS 513 3HZ LYS 513 17.683 11.923 27.388 319 HZ2 LYS 513 1HZ LYS 513 17.143 12.431 28.839 320 HZ3 LYS 513 2HZ LYS 513 16.573 13.136 27.486 321 H TRP 514 H TRP 514 16.216 12.965 23.310 322 HA TRP 514 HA TRP 514 14.948 15.396 22.223 323 HB2 TRP 514 1HB TRP 514 17.798 14.802 23.068 324 HB3 TRP 514 2HB TRP 514 17.231 16.336 22.434 325 HD1 TRP 514 HD1 TRP 514 17.100 14.184 25.538 326 HE1 TRP 514 HE1 TRP 514 16.093 15.525 27.519 327 HE3 TRP 514 HE3 TRP 514 15.740 18.426 23.049 328 HZ2 TRP 514 HZ2 TRP 514 14.774 18.042 27.917 329 HZ3 TRP 514 HZ3 TRP 514 14.642 20.308 24.252 330 HH2 TRP 514 HH2 TRP 514 14.141 20.116 26.679 331 H TRP 515 H TRP 515 14.288 14.786 20.174 332 HA TRP 515 HA TRP 515 16.133 13.786 18.125 333 HB2 TRP 515 1HB TRP 515 13.348 15.000 18.046 334 HB3 TRP 515 2HB TRP 515 14.277 14.667 16.592 335 HD1 TRP 515 HD1 TRP 515 14.507 12.134 19.383 336 HE1 TRP 515 HE1 TRP 515 13.416 9.936 18.690 337 HE3 TRP 515 HE3 TRP 515 12.268 13.710 15.058 338 HZ2 TRP 515 HZ2 TRP 515 11.773 8.970 16.524 339 HZ3 TRP 515 HZ3 TRP 515 10.985 12.094 13.667 340 HH2 TRP 515 HH2 TRP 515 10.724 9.737 14.388 341 H LYS 516 H LYS 516 16.980 14.978 16.432 342 HA LYS 516 HA LYS 516 17.376 17.921 16.938 343 HB2 LYS 516 1HB LYS 516 19.411 16.468 17.114 344 HB3 LYS 516 2HB LYS 516 19.193 16.018 15.418 345 HG2 LYS 516 1HG LYS 516 19.502 18.291 14.700 346 HG3 LYS 516 2HG LYS 516 19.506 18.904 16.361 347 HD2 LYS 516 1HD LYS 516 21.616 17.932 16.831 348 HD3 LYS 516 2HD LYS 516 21.557 16.869 15.409 349 HE2 LYS 516 1HE LYS 516 21.717 18.791 13.910 350 HE3 LYS 516 2HE LYS 516 21.683 19.915 15.274 351 HZ1 LYS 516 3HZ LYS 516 23.940 19.462 14.424 352 HZ2 LYS 516 1HZ LYS 516 23.816 17.887 14.842 353 HZ3 LYS 516 2HZ LYS 516 23.811 19.046 16.002 354 H VAL 517 H VAL 517 16.732 19.286 15.459 355 HA VAL 517 HA VAL 517 15.815 18.360 12.773 356 HB VAL 517 HB VAL 517 13.756 19.682 13.089 357 HG11 VAL 517 1HG1 VAL 517 12.484 18.070 14.393 358 HG12 VAL 517 2HG1 VAL 517 13.624 17.260 13.327 359 HG13 VAL 517 3HG1 VAL 517 13.977 17.392 15.067 360 HG21 VAL 517 3HG2 VAL 517 12.930 20.217 15.346 361 HG22 VAL 517 1HG2 VAL 517 14.467 19.699 16.048 362 HG23 VAL 517 2HG2 VAL 517 14.412 21.123 14.991 363 H ARG 518 H ARG 518 15.410 20.081 11.277 364 HA ARG 518 HA ARG 518 17.058 22.560 11.738 365 HB2 ARG 518 1HB ARG 518 17.835 20.789 10.060 366 HB3 ARG 518 2HB ARG 518 16.428 21.201 9.090 367 HG2 ARG 518 1HG ARG 518 17.300 23.660 9.228 368 HG3 ARG 518 2HG ARG 518 18.804 22.956 9.838 369 HD2 ARG 518 1HD ARG 518 17.450 22.364 7.179 370 HD3 ARG 518 2HD ARG 518 18.891 23.368 7.411 371 HE ARG 518 HE ARG 518 19.637 20.941 8.499 372 HH11 ARG 518 1HH1 ARG 518 18.494 21.888 5.322 373 HH12 ARG 518 2HH1 ARG 518 19.288 20.548 4.536 374 HH21 ARG 518 1HH2 ARG 518 20.619 19.244 7.427 375 HH22 ARG 518 2HH2 ARG 518 20.456 19.103 5.698 376 H ASP 519 H ASP 519 15.870 24.292 11.982 377 HA ASP 519 HA ASP 519 13.104 24.597 11.123 378 HB2 ASP 519 1HB ASP 519 13.457 26.926 12.060 379 HB3 ASP 519 2HB ASP 519 13.781 25.615 13.183 380 HA PRO 520 HA PRO 520 13.704 26.349 7.131 381 HB2 PRO 520 1HB PRO 520 11.720 28.240 6.882 382 HB3 PRO 520 2HB PRO 520 11.427 26.477 6.958 383 HG2 PRO 520 1HG PRO 520 11.301 28.471 9.242 384 HG3 PRO 520 2HG PRO 520 10.070 27.253 8.768 385 HD2 PRO 520 1HD PRO 520 11.832 26.739 10.730 386 HD3 PRO 520 2HD PRO 520 11.413 25.463 9.556 387 H ALA 521 H ALA 521 14.340 28.409 9.818 388 HA ALA 521 HA ALA 521 15.288 30.710 8.234 389 HB1 ALA 521 1HB ALA 521 14.414 31.265 10.371 390 HB2 ALA 521 2HB ALA 521 15.343 29.994 11.192 391 HB3 ALA 521 3HB ALA 521 16.177 31.409 10.527 392 H GLY 522 H GLY 522 16.532 27.615 9.176 393 HA2 GLY 522 1HA GLY 522 18.428 26.716 8.064 394 HA3 GLY 522 2HA GLY 522 19.174 28.312 7.983 395 H GLN 523 H GLN 523 17.866 27.687 11.112 396 HA GLN 523 HA GLN 523 20.570 27.152 12.243 397 HB2 GLN 523 1HB GLN 523 17.923 27.876 13.534 398 HB3 GLN 523 2HB GLN 523 19.423 27.640 14.403 399 HG2 GLN 523 1HG GLN 523 19.312 29.727 12.201 400 HG3 GLN 523 2HG GLN 523 18.505 30.030 13.720 401 HE21 GLN 523 2HE2 GLN 523 19.828 30.030 15.742 402 HE22 GLN 523 1HE2 GLN 523 21.542 30.406 15.607 403 H GLU 524 H GLU 524 20.220 25.662 14.350 404 HA GLU 524 HA GLU 524 18.556 23.267 13.835 405 HB2 GLU 524 1HB GLU 524 21.581 23.219 14.178 406 HB3 GLU 524 2HB GLU 524 20.550 21.801 14.342 407 HG2 GLU 524 1HG GLU 524 19.977 21.827 12.006 408 HG3 GLU 524 2HG GLU 524 20.727 23.409 11.768 409 H GLY 525 H GLY 525 18.165 22.047 15.769 410 HA2 GLY 525 1HA GLY 525 19.671 22.429 18.175 411 HA3 GLY 525 2HA GLY 525 18.161 23.327 18.285 412 H TYR 526 H TYR 526 18.770 21.359 20.051 413 HA TYR 526 HA TYR 526 17.314 18.896 19.364 414 HB2 TYR 526 1HB TYR 526 18.699 19.911 21.872 415 HB3 TYR 526 2HB TYR 526 17.841 18.385 21.791 416 HD1 TYR 526 HD2 TYR 526 18.505 16.700 19.927 417 HD2 TYR 526 HD1 TYR 526 21.005 19.978 21.201 418 HE1 TYR 526 HE2 TYR 526 20.497 15.562 18.957 419 HE2 TYR 526 HE1 TYR 526 22.995 18.833 20.240 420 HH TYR 526 HH TYR 526 23.774 16.980 19.152 421 H VAL 527 H VAL 527 15.336 18.302 20.008 422 HA VAL 527 HA VAL 527 13.774 19.749 22.046 423 HB VAL 527 HB VAL 527 11.762 19.757 20.457 424 HG11 VAL 527 1HG1 VAL 527 12.148 21.975 19.721 425 HG12 VAL 527 2HG1 VAL 527 12.994 21.795 21.264 426 HG13 VAL 527 3HG1 VAL 527 13.908 21.773 19.746 427 HG21 VAL 527 3HG2 VAL 527 12.127 20.010 18.087 428 HG22 VAL 527 1HG2 VAL 527 13.881 19.826 18.282 429 HG23 VAL 527 2HG2 VAL 527 12.807 18.451 18.600 430 HA PRO 528 HA PRO 528 12.410 15.606 22.790 431 HB2 PRO 528 1HB PRO 528 9.866 15.894 23.807 432 HB3 PRO 528 2HB PRO 528 11.360 16.291 24.705 433 HG2 PRO 528 1HG PRO 528 9.548 18.176 23.176 434 HG3 PRO 528 2HG PRO 528 10.238 18.387 24.817 435 HD2 PRO 528 1HD PRO 528 11.361 19.550 22.637 436 HD3 PRO 528 2HD PRO 528 12.366 18.897 23.960 437 H TYR 529 H TYR 529 11.537 13.940 21.554 438 HA TYR 529 HA TYR 529 10.173 14.495 19.110 439 HB2 TYR 529 1HB TYR 529 10.174 12.234 18.703 440 HB3 TYR 529 2HB TYR 529 11.571 12.451 19.735 441 HD1 TYR 529 HD1 TYR 529 11.405 11.794 22.197 442 HD2 TYR 529 HD2 TYR 529 8.357 10.795 19.322 443 HE1 TYR 529 HE1 TYR 529 10.569 10.018 23.721 444 HE2 TYR 529 HE2 TYR 529 7.500 9.023 20.855 445 HH TYR 529 HH TYR 529 9.034 8.364 24.022 446 H ASN 530 H ASN 530 8.844 14.087 22.318 447 HA ASN 530 HA ASN 530 6.306 13.066 21.767 448 HB2 ASN 530 1HB ASN 530 7.423 13.431 24.009 449 HB3 ASN 530 2HB ASN 530 6.992 15.141 23.899 450 HD21 ASN 530 2HD2 ASN 530 4.809 15.730 24.401 451 HD22 ASN 530 1HD2 ASN 530 3.624 14.529 24.890 452 H ILE 531 H ILE 531 7.418 16.364 21.211 453 HA ILE 531 HA ILE 531 4.673 17.322 20.622 454 HB ILE 531 HB ILE 531 5.616 19.539 20.502 455 HG12 ILE 531 1HG1 ILE 531 8.311 18.242 21.021 456 HG13 ILE 531 2HG1 ILE 531 7.815 19.034 19.523 457 HG21 ILE 531 1HG2 ILE 531 6.665 18.149 23.003 458 HG22 ILE 531 2HG2 ILE 531 6.089 19.821 22.842 459 HG23 ILE 531 3HG2 ILE 531 4.946 18.483 22.695 460 HD11 ILE 531 3HD1 ILE 531 8.291 20.345 22.219 461 HD12 ILE 531 1HD1 ILE 531 9.261 20.506 20.750 462 HD13 ILE 531 2HD1 ILE 531 7.620 21.184 20.793 463 H LEU 532 H LEU 532 6.839 15.640 18.854 464 HA LEU 532 HA LEU 532 6.352 17.107 16.287 465 HB2 LEU 532 1HB LEU 532 8.616 15.248 17.121 466 HB3 LEU 532 2HB LEU 532 8.415 15.939 15.520 467 HG LEU 532 HG LEU 532 8.928 17.554 18.059 468 HD11 LEU 532 1HD1 LEU 532 10.769 16.731 15.781 469 HD12 LEU 532 2HD1 LEU 532 10.867 16.214 17.477 470 HD13 LEU 532 3HD1 LEU 532 11.170 17.901 17.047 471 HD21 LEU 532 3HD2 LEU 532 9.412 19.411 16.484 472 HD22 LEU 532 1HD2 LEU 532 7.729 18.896 16.381 473 HD23 LEU 532 2HD2 LEU 532 8.884 18.395 15.125 474 H THR 533 H THR 533 5.229 16.066 14.739 475 HA THR 533 HA THR 533 4.492 13.212 15.184 476 HB THR 533 HB THR 533 2.642 13.753 13.492 477 HG1 THR 533 HG1 THR 533 2.410 16.285 14.174 478 HG21 THR 533 3HG2 THR 533 1.192 14.715 15.181 479 HG22 THR 533 1HG2 THR 533 2.602 15.208 16.164 480 HG23 THR 533 2HG2 THR 533 2.235 13.489 15.906 481 HA PRO 534 HA PRO 534 6.798 11.834 11.808 482 HB2 PRO 534 1HB PRO 534 5.409 9.658 10.852 483 HB3 PRO 534 2HB PRO 534 6.157 9.724 12.471 484 HG2 PRO 534 1HG PRO 534 3.275 10.351 11.744 485 HG3 PRO 534 2HG PRO 534 3.874 9.211 12.998 486 HD2 PRO 534 1HD PRO 534 3.159 11.711 13.658 487 HD3 PRO 534 2HD PRO 534 4.624 10.987 14.377 488 H TYR 535 H TYR 535 4.453 13.844 11.081 489 HA TYR 535 HA TYR 535 3.338 14.708 9.330 490 HB2 TYR 535 1HB TYR 535 5.839 15.245 9.105 491 HB3 TYR 535 2HB TYR 535 5.804 14.249 7.666 492 HD1 TYR 535 HD1 TYR 535 3.296 14.966 6.291 493 HD2 TYR 535 HD2 TYR 535 5.946 17.475 8.597 494 HE1 TYR 535 HE1 TYR 535 2.491 16.959 5.058 495 HE2 TYR 535 HE2 TYR 535 5.049 19.474 7.432 496 HH TYR 535 HH TYR 535 3.650 20.255 5.813 497 HA PRO 536 HA PRO 536 2.169 10.622 7.439 498 HB2 PRO 536 1HB PRO 536 -0.469 10.567 8.188 499 HB3 PRO 536 2HB PRO 536 0.872 10.030 9.246 500 HG2 PRO 536 1HG PRO 536 -0.551 12.704 9.253 501 HG3 PRO 536 2HG PRO 536 -0.129 11.666 10.650 502 HD2 PRO 536 1HD PRO 536 1.394 13.805 9.878 503 HD3 PRO 536 2HD PRO 536 2.131 12.338 10.576 504 H ALA 537 H ALA 537 0.510 13.729 7.407 505 HA ALA 537 HA ALA 537 0.622 13.972 4.546 506 HB1 ALA 537 1HB ALA 537 -1.473 12.562 4.810 507 HB2 ALA 537 2HB ALA 537 -2.170 13.865 5.791 508 HB3 ALA 537 3HB ALA 537 -1.770 14.144 4.079 509 H ALA 538 H ALA 538 -0.644 16.146 3.949 510 HA ALA 538 HA ALA 538 0.478 18.304 5.399 511 HB1 ALA 538 1HB ALA 538 -0.139 18.348 3.007 512 HB2 ALA 538 2HB ALA 538 -1.864 18.274 3.447 513 HB3 ALA 538 3HB ALA 538 -0.889 19.690 3.893 514 H ALA 539 H ALA 539 -2.522 16.635 5.987 515 HA ALA 539 HA ALA 539 -2.936 18.116 8.476 516 HB1 ALA 539 1HB ALA 539 -5.108 17.958 6.326 517 HB2 ALA 539 2HB ALA 539 -5.344 18.545 7.987 518 HB3 ALA 539 3HB ALA 539 -4.287 19.437 6.879 519 H SER 540 H SER 540 -4.672 17.016 9.799 520 HA SER 540 HA SER 540 -4.824 14.060 9.299 521 HB2 SER 540 1HB SER 540 -3.147 14.732 11.051 522 HB3 SER 540 2HB SER 540 -4.491 15.393 12.004 523 HG SER 540 HG SER 540 -4.044 13.201 12.555 Start of MODEL 15 1 H1 GLY 473 H GLY 473 -3.238 0.994 1.620 2 HA2 GLY 473 1HA GLY 473 -2.533 0.358 4.134 3 HA3 GLY 473 2HA GLY 473 -1.665 -0.837 3.155 4 HA PRO 474 HA PRO 474 0.726 3.175 3.427 5 HB2 PRO 474 1HB PRO 474 3.102 2.210 4.370 6 HB3 PRO 474 2HB PRO 474 1.691 2.552 5.412 7 HG2 PRO 474 1HG PRO 474 2.536 -0.126 4.263 8 HG3 PRO 474 2HG PRO 474 2.088 0.263 5.953 9 HD2 PRO 474 1HD PRO 474 0.312 -0.817 4.190 10 HD3 PRO 474 2HD PRO 474 -0.201 0.377 5.420 11 H LEU 475 H LEU 475 0.675 3.435 1.200 12 HA LEU 475 HA LEU 475 2.102 1.901 -0.734 13 HB2 LEU 475 1HB LEU 475 0.220 3.417 -1.239 14 HB3 LEU 475 2HB LEU 475 1.175 4.805 -0.725 15 HG LEU 475 HG LEU 475 2.771 4.384 -2.618 16 HD11 LEU 475 1HD1 LEU 475 0.698 2.315 -3.470 17 HD12 LEU 475 2HD1 LEU 475 2.380 1.977 -2.997 18 HD13 LEU 475 3HD1 LEU 475 2.050 2.904 -4.464 19 HD21 LEU 475 3HD2 LEU 475 -0.145 4.715 -3.416 20 HD22 LEU 475 1HD2 LEU 475 1.275 5.206 -4.372 21 HD23 LEU 475 2HD2 LEU 475 0.934 5.999 -2.827 22 H GLY 476 H GLY 476 2.997 4.904 0.962 23 HA2 GLY 476 1HA GLY 476 5.041 5.890 1.414 24 HA3 GLY 476 2HA GLY 476 5.885 4.533 0.676 25 H SER 477 H SER 477 5.894 7.647 0.436 26 HA SER 477 HA SER 477 6.759 7.668 -2.344 27 HB2 SER 477 1HB SER 477 5.344 9.510 -3.098 28 HB3 SER 477 2HB SER 477 4.368 8.098 -2.682 29 HG SER 477 HG SER 477 3.472 10.015 -1.856 30 H GLY 478 H GLY 478 7.717 9.782 -2.968 31 HA2 GLY 478 1HA GLY 478 9.122 11.589 -2.576 32 HA3 GLY 478 2HA GLY 478 8.550 11.676 -0.913 33 H ALA 479 H ALA 479 10.983 12.228 -0.941 34 HA ALA 479 HA ALA 479 12.530 9.817 -0.090 35 HB1 ALA 479 1HB ALA 479 13.549 12.135 -1.794 36 HB2 ALA 479 2HB ALA 479 14.498 10.736 -1.246 37 HB3 ALA 479 3HB ALA 479 13.168 10.504 -2.393 38 H LEU 480 H LEU 480 11.073 12.224 1.259 39 HA LEU 480 HA LEU 480 13.222 12.954 3.199 40 HB2 LEU 480 1HB LEU 480 11.217 14.927 2.023 41 HB3 LEU 480 2HB LEU 480 12.467 15.268 3.204 42 HG LEU 480 HG LEU 480 13.066 14.396 0.341 43 HD11 LEU 480 1HD1 LEU 480 12.993 17.205 1.500 44 HD12 LEU 480 2HD1 LEU 480 11.821 16.514 0.350 45 HD13 LEU 480 3HD1 LEU 480 13.505 16.742 -0.138 46 HD21 LEU 480 3HD2 LEU 480 15.288 15.335 0.789 47 HD22 LEU 480 1HD2 LEU 480 14.933 14.061 1.964 48 HD23 LEU 480 2HD2 LEU 480 14.802 15.766 2.444 49 H LYS 481 H LYS 481 12.572 12.468 5.195 50 HA LYS 481 HA LYS 481 9.652 12.167 5.842 51 HB2 LYS 481 1HB LYS 481 12.110 10.875 7.061 52 HB3 LYS 481 2HB LYS 481 10.484 10.783 7.754 53 HG2 LYS 481 1HG LYS 481 9.649 9.805 5.613 54 HG3 LYS 481 2HG LYS 481 11.310 9.698 5.025 55 HD2 LYS 481 1HD LYS 481 10.394 8.385 7.633 56 HD3 LYS 481 2HD LYS 481 10.201 7.619 6.069 57 HE2 LYS 481 1HE LYS 481 12.141 6.682 6.971 58 HE3 LYS 481 2HE LYS 481 12.669 7.758 5.681 59 HZ1 LYS 481 3HZ LYS 481 14.013 7.917 7.735 60 HZ2 LYS 481 1HZ LYS 481 12.723 8.448 8.580 61 HZ3 LYS 481 2HZ LYS 481 13.357 9.358 7.365 62 H TRP 482 H TRP 482 9.367 14.383 6.118 63 HA TRP 482 HA TRP 482 10.722 15.897 8.223 64 HB2 TRP 482 1HB TRP 482 8.168 16.388 6.646 65 HB3 TRP 482 2HB TRP 482 8.866 17.518 7.794 66 HD1 TRP 482 HD1 TRP 482 9.918 15.767 4.505 67 HE1 TRP 482 HE1 TRP 482 11.462 17.322 3.180 68 HE3 TRP 482 HE3 TRP 482 10.160 19.685 7.795 69 HZ2 TRP 482 HZ2 TRP 482 12.746 19.845 3.545 70 HZ3 TRP 482 HZ3 TRP 482 11.563 21.669 7.278 71 HH2 TRP 482 HH2 TRP 482 12.874 21.762 5.167 72 H VAL 483 H VAL 483 9.585 16.803 10.077 73 HA VAL 483 HA VAL 483 7.309 15.184 11.132 74 HB VAL 483 HB VAL 483 8.279 15.509 13.443 75 HG11 VAL 483 1HG1 VAL 483 9.543 13.447 13.332 76 HG12 VAL 483 2HG1 VAL 483 8.139 13.339 12.269 77 HG13 VAL 483 3HG1 VAL 483 9.752 13.614 11.573 78 HG21 VAL 483 3HG2 VAL 483 10.735 15.545 13.658 79 HG22 VAL 483 1HG2 VAL 483 10.912 15.842 11.926 80 HG23 VAL 483 2HG2 VAL 483 10.148 17.063 12.964 81 H LEU 484 H LEU 484 5.644 16.319 11.600 82 HA LEU 484 HA LEU 484 5.753 19.266 11.594 83 HB2 LEU 484 1HB LEU 484 3.982 17.786 10.350 84 HB3 LEU 484 2HB LEU 484 3.332 17.451 11.943 85 HG LEU 484 HG LEU 484 2.945 19.922 12.280 86 HD11 LEU 484 1HD1 LEU 484 3.850 20.104 9.375 87 HD12 LEU 484 2HD1 LEU 484 4.605 20.899 10.778 88 HD13 LEU 484 3HD1 LEU 484 2.998 21.388 10.261 89 HD21 LEU 484 3HD2 LEU 484 1.041 20.081 10.761 90 HD22 LEU 484 1HD2 LEU 484 1.168 18.433 11.396 91 HD23 LEU 484 2HD2 LEU 484 1.708 18.789 9.740 92 H CYS 485 H CYS 485 5.263 20.528 13.442 93 HA CYS 485 HA CYS 485 5.487 19.207 16.045 94 HB2 CYS 485 1HB CYS 485 6.296 21.612 15.195 95 HB3 CYS 485 2HB CYS 485 4.643 22.059 15.642 96 HG CYS 485 HG CYS 485 7.030 20.624 17.449 97 H ASN 486 H ASN 486 3.881 19.176 17.694 98 HA ASN 486 HA ASN 486 1.044 19.590 16.838 99 HB2 ASN 486 1HB ASN 486 2.038 17.280 17.627 100 HB3 ASN 486 2HB ASN 486 1.967 17.962 19.222 101 HD21 ASN 486 2HD2 ASN 486 0.558 15.807 19.108 102 HD22 ASN 486 1HD2 ASN 486 -1.154 16.095 18.835 103 H TYR 487 H TYR 487 3.488 20.635 19.141 104 HA TYR 487 HA TYR 487 1.672 22.682 20.278 105 HB2 TYR 487 1HB TYR 487 3.299 20.755 21.995 106 HB3 TYR 487 2HB TYR 487 2.345 22.113 22.571 107 HD1 TYR 487 HD1 TYR 487 -0.166 22.041 22.446 108 HD2 TYR 487 HD2 TYR 487 2.286 18.642 21.403 109 HE1 TYR 487 HE1 TYR 487 -2.170 20.556 22.544 110 HE2 TYR 487 HE2 TYR 487 0.305 17.168 21.496 111 HH TYR 487 HH TYR 487 -1.966 17.053 21.855 112 H ASP 488 H ASP 488 2.734 24.594 20.512 113 HA ASP 488 HA ASP 488 5.427 24.949 19.666 114 HB2 ASP 488 1HB ASP 488 5.174 27.231 20.368 115 HB3 ASP 488 2HB ASP 488 3.705 26.706 19.553 116 H PHE 489 H PHE 489 7.296 25.522 20.721 117 HA PHE 489 HA PHE 489 7.559 25.341 23.649 118 HB2 PHE 489 1HB PHE 489 7.695 22.996 22.972 119 HB3 PHE 489 2HB PHE 489 8.917 23.374 21.773 120 HD1 PHE 489 HD1 PHE 489 8.242 23.282 25.446 121 HD2 PHE 489 HD2 PHE 489 11.250 23.422 22.360 122 HE1 PHE 489 HE1 PHE 489 10.013 22.874 27.143 123 HE2 PHE 489 HE2 PHE 489 12.998 22.938 24.044 124 HZ PHE 489 HZ PHE 489 12.404 22.747 26.438 125 H GLN 490 H GLN 490 8.480 27.276 23.916 126 HA GLN 490 HA GLN 490 10.465 28.432 22.133 127 HB2 GLN 490 1HB GLN 490 10.653 30.181 23.808 128 HB3 GLN 490 2HB GLN 490 8.973 29.844 23.409 129 HG2 GLN 490 1HG GLN 490 8.848 28.441 25.551 130 HG3 GLN 490 2HG GLN 490 10.442 29.072 25.965 131 HE21 GLN 490 2HE2 GLN 490 7.167 29.591 26.477 132 HE22 GLN 490 1HE2 GLN 490 7.257 31.300 26.883 133 H ALA 491 H ALA 491 12.612 28.012 22.061 134 HA ALA 491 HA ALA 491 14.092 27.193 24.449 135 HB1 ALA 491 1HB ALA 491 12.927 25.164 23.017 136 HB2 ALA 491 2HB ALA 491 14.544 25.260 22.314 137 HB3 ALA 491 3HB ALA 491 14.363 25.063 24.062 138 H ARG 492 H ARG 492 16.010 28.215 24.292 139 HA ARG 492 HA ARG 492 17.533 28.518 21.769 140 HB2 ARG 492 1HB ARG 492 16.394 30.935 23.248 141 HB3 ARG 492 2HB ARG 492 17.704 31.035 22.070 142 HG2 ARG 492 1HG ARG 492 16.242 30.053 20.319 143 HG3 ARG 492 2HG ARG 492 14.878 30.115 21.456 144 HD2 ARG 492 1HD ARG 492 15.060 32.514 21.662 145 HD3 ARG 492 2HD ARG 492 16.481 32.545 20.600 146 HE ARG 492 HE ARG 492 14.783 31.377 18.925 147 HH11 ARG 492 1HH1 ARG 492 14.050 34.143 20.969 148 HH12 ARG 492 2HH1 ARG 492 12.853 34.746 19.852 149 HH21 ARG 492 1HH2 ARG 492 13.255 32.210 17.568 150 HH22 ARG 492 2HH2 ARG 492 12.437 33.693 17.976 151 H ASN 493 H ASN 493 17.825 27.272 24.440 152 HA ASN 493 HA ASN 493 20.459 28.389 25.224 153 HB2 ASN 493 1HB ASN 493 19.802 28.356 27.625 154 HB3 ASN 493 2HB ASN 493 18.872 29.523 26.695 155 HD21 ASN 493 2HD2 ASN 493 18.686 26.306 28.284 156 HD22 ASN 493 1HD2 ASN 493 16.937 26.296 28.323 157 H SER 494 H SER 494 21.616 26.845 26.753 158 HA SER 494 HA SER 494 22.689 24.825 26.760 159 HB2 SER 494 1HB SER 494 21.471 23.094 28.005 160 HB3 SER 494 2HB SER 494 21.309 24.708 28.700 161 HG SER 494 HG SER 494 19.387 23.487 27.012 162 H SER 495 H SER 495 22.197 25.299 24.178 163 HA SER 495 HA SER 495 22.122 24.481 22.102 164 HB2 SER 495 1HB SER 495 22.616 21.775 23.374 165 HB3 SER 495 2HB SER 495 22.873 22.204 21.673 166 HG SER 495 HG SER 495 24.798 22.361 22.897 167 H GLU 496 H GLU 496 19.485 24.522 23.585 168 HA GLU 496 HA GLU 496 17.815 22.546 22.189 169 HB2 GLU 496 1HB GLU 496 17.176 24.957 23.929 170 HB3 GLU 496 2HB GLU 496 15.991 23.827 23.310 171 HG2 GLU 496 1HG GLU 496 16.936 21.962 24.494 172 HG3 GLU 496 2HG GLU 496 18.293 22.913 25.066 173 H LEU 497 H LEU 497 15.754 23.424 21.079 174 HA LEU 497 HA LEU 497 16.206 25.848 19.428 175 HB2 LEU 497 1HB LEU 497 16.943 23.459 18.476 176 HB3 LEU 497 2HB LEU 497 15.272 23.249 18.139 177 HG LEU 497 HG LEU 497 16.547 23.956 16.221 178 HD11 LEU 497 1HD1 LEU 497 14.792 26.295 16.881 179 HD12 LEU 497 2HD1 LEU 497 14.157 24.658 16.513 180 HD13 LEU 497 3HD1 LEU 497 15.134 25.544 15.341 181 HD21 LEU 497 3HD2 LEU 497 18.285 25.358 17.320 182 HD22 LEU 497 1HD2 LEU 497 17.074 26.637 17.551 183 HD23 LEU 497 2HD2 LEU 497 17.526 26.132 15.917 184 H SER 498 H SER 498 14.453 26.919 18.806 185 HA SER 498 HA SER 498 11.973 26.360 20.239 186 HB2 SER 498 1HB SER 498 11.257 28.546 19.622 187 HB3 SER 498 2HB SER 498 12.950 28.638 20.107 188 HG SER 498 HG SER 498 13.220 28.355 17.622 189 H VAL 499 H VAL 499 9.995 25.797 19.481 190 HA VAL 499 HA VAL 499 9.555 25.474 16.543 191 HB VAL 499 HB VAL 499 8.416 23.322 16.932 192 HG11 VAL 499 1HG1 VAL 499 10.435 21.919 17.129 193 HG12 VAL 499 2HG1 VAL 499 10.672 23.297 16.053 194 HG13 VAL 499 3HG1 VAL 499 11.359 23.322 17.677 195 HG21 VAL 499 3HG2 VAL 499 9.745 23.321 19.669 196 HG22 VAL 499 1HG2 VAL 499 7.992 23.488 19.376 197 HG23 VAL 499 2HG2 VAL 499 8.823 21.994 18.932 198 H LYS 500 H LYS 500 7.357 25.305 15.914 199 HA LYS 500 HA LYS 500 5.346 26.509 17.792 200 HB2 LYS 500 1HB LYS 500 5.612 27.149 14.835 201 HB3 LYS 500 2HB LYS 500 4.521 27.912 15.968 202 HG2 LYS 500 1HG LYS 500 7.546 28.197 16.188 203 HG3 LYS 500 2HG LYS 500 6.565 29.160 15.099 204 HD2 LYS 500 1HD LYS 500 6.858 30.533 16.940 205 HD3 LYS 500 2HD LYS 500 5.201 29.939 17.088 206 HE2 LYS 500 1HE LYS 500 5.963 28.281 18.775 207 HE3 LYS 500 2HE LYS 500 7.629 28.822 18.572 208 HZ1 LYS 500 3HZ LYS 500 6.956 31.020 19.385 209 HZ2 LYS 500 1HZ LYS 500 6.582 29.887 20.500 210 HZ3 LYS 500 2HZ LYS 500 5.407 30.537 19.567 211 H GLN 501 H GLN 501 3.188 26.019 17.250 212 HA GLN 501 HA GLN 501 2.680 23.299 16.529 213 HB2 GLN 501 1HB GLN 501 1.342 24.607 18.087 214 HB3 GLN 501 2HB GLN 501 0.793 25.674 16.786 215 HG2 GLN 501 1HG GLN 501 -0.428 23.852 15.729 216 HG3 GLN 501 2HG GLN 501 0.228 22.677 16.866 217 HE21 GLN 501 2HE2 GLN 501 -2.607 23.254 16.300 218 HE22 GLN 501 1HE2 GLN 501 -3.293 23.813 17.821 219 H ARG 502 H ARG 502 3.035 26.027 14.486 220 HA ARG 502 HA ARG 502 1.931 24.577 12.110 221 HB2 ARG 502 1HB ARG 502 1.419 26.770 11.147 222 HB3 ARG 502 2HB ARG 502 0.592 26.520 12.681 223 HG2 ARG 502 1HG ARG 502 2.247 27.960 13.844 224 HG3 ARG 502 2HG ARG 502 3.153 28.154 12.339 225 HD2 ARG 502 1HD ARG 502 1.801 30.132 12.704 226 HD3 ARG 502 2HD ARG 502 1.208 29.264 11.296 227 HE ARG 502 HE ARG 502 -0.797 28.815 12.374 228 HH11 ARG 502 1HH1 ARG 502 1.380 30.106 14.817 229 HH12 ARG 502 2HH1 ARG 502 0.096 30.253 15.991 230 HH21 ARG 502 1HH2 ARG 502 -2.361 29.041 13.914 231 HH22 ARG 502 2HH2 ARG 502 -1.957 29.672 15.487 232 H ASP 503 H ASP 503 4.684 24.555 13.344 233 HA ASP 503 HA ASP 503 6.260 25.375 10.936 234 HB2 ASP 503 1HB ASP 503 6.841 26.532 13.038 235 HB3 ASP 503 2HB ASP 503 7.152 24.974 13.813 236 H VAL 504 H VAL 504 7.535 23.904 9.946 237 HA VAL 504 HA VAL 504 7.381 21.036 10.776 238 HB VAL 504 HB VAL 504 5.927 21.609 8.807 239 HG11 VAL 504 1HG1 VAL 504 8.503 22.006 7.253 240 HG12 VAL 504 2HG1 VAL 504 6.845 22.012 6.631 241 HG13 VAL 504 3HG1 VAL 504 7.374 23.302 7.716 242 HG21 VAL 504 3HG2 VAL 504 8.059 19.510 8.786 243 HG22 VAL 504 1HG2 VAL 504 6.302 19.367 8.840 244 HG23 VAL 504 2HG2 VAL 504 7.111 19.736 7.315 245 H LEU 505 H LEU 505 9.280 19.924 10.791 246 HA LEU 505 HA LEU 505 11.749 21.355 9.910 247 HB2 LEU 505 1HB LEU 505 11.532 19.955 12.593 248 HB3 LEU 505 2HB LEU 505 12.833 20.932 11.932 249 HG LEU 505 HG LEU 505 10.963 22.854 11.926 250 HD11 LEU 505 1HD1 LEU 505 10.155 21.086 14.293 251 HD12 LEU 505 2HD1 LEU 505 9.156 21.336 12.858 252 HD13 LEU 505 3HD1 LEU 505 9.523 22.700 13.911 253 HD21 LEU 505 3HD2 LEU 505 11.837 23.626 14.037 254 HD22 LEU 505 1HD2 LEU 505 13.146 22.883 13.114 255 HD23 LEU 505 2HD2 LEU 505 12.402 21.996 14.460 256 H GLU 506 H GLU 506 13.582 20.072 9.605 257 HA GLU 506 HA GLU 506 12.917 17.326 8.645 258 HB2 GLU 506 1HB GLU 506 13.891 18.973 7.059 259 HB3 GLU 506 2HB GLU 506 15.344 19.074 8.065 260 HG2 GLU 506 1HG GLU 506 15.679 16.604 7.730 261 HG3 GLU 506 2HG GLU 506 14.261 16.576 6.682 262 H VAL 507 H VAL 507 13.364 15.687 9.998 263 HA VAL 507 HA VAL 507 15.145 15.901 12.262 264 HB VAL 507 HB VAL 507 13.209 14.417 12.256 265 HG11 VAL 507 1HG1 VAL 507 13.355 13.552 9.915 266 HG12 VAL 507 2HG1 VAL 507 14.755 12.572 10.392 267 HG13 VAL 507 3HG1 VAL 507 13.169 12.284 11.133 268 HG21 VAL 507 3HG2 VAL 507 15.082 14.014 13.815 269 HG22 VAL 507 1HG2 VAL 507 14.249 12.517 13.362 270 HG23 VAL 507 2HG2 VAL 507 15.817 12.893 12.643 271 H LEU 508 H LEU 508 17.144 15.358 12.576 272 HA LEU 508 HA LEU 508 18.848 14.425 10.282 273 HB2 LEU 508 1HB LEU 508 19.464 16.369 12.535 274 HB3 LEU 508 2HB LEU 508 20.579 15.898 11.254 275 HG LEU 508 HG LEU 508 17.981 17.439 10.814 276 HD11 LEU 508 1HD1 LEU 508 20.869 18.360 10.992 277 HD12 LEU 508 2HD1 LEU 508 19.528 18.768 12.099 278 HD13 LEU 508 3HD1 LEU 508 19.521 19.356 10.435 279 HD21 LEU 508 3HD2 LEU 508 18.695 16.184 8.802 280 HD22 LEU 508 1HD2 LEU 508 20.320 16.895 8.934 281 HD23 LEU 508 2HD2 LEU 508 18.906 17.921 8.588 282 H ASP 509 H ASP 509 18.225 14.236 13.772 283 HA ASP 509 HA ASP 509 19.542 11.626 13.886 284 HB2 ASP 509 1HB ASP 509 21.384 13.226 14.411 285 HB3 ASP 509 2HB ASP 509 20.403 13.912 15.708 286 H ASP 510 H ASP 510 18.624 10.319 15.371 287 HA ASP 510 HA ASP 510 16.458 11.310 17.157 288 HB2 ASP 510 1HB ASP 510 14.969 9.571 16.246 289 HB3 ASP 510 2HB ASP 510 15.414 10.789 15.068 290 H SER 511 H SER 511 19.247 10.074 17.467 291 HA SER 511 HA SER 511 19.139 7.456 18.477 292 HB2 SER 511 1HB SER 511 21.160 8.776 17.798 293 HB3 SER 511 2HB SER 511 21.014 9.709 19.296 294 HG SER 511 HG SER 511 21.575 6.942 18.969 295 H ARG 512 H ARG 512 18.310 10.432 20.144 296 HA ARG 512 HA ARG 512 17.579 8.967 22.652 297 HB2 ARG 512 1HB ARG 512 19.059 11.641 22.459 298 HB3 ARG 512 2HB ARG 512 18.403 10.933 23.937 299 HG2 ARG 512 1HG ARG 512 19.891 8.913 23.541 300 HG3 ARG 512 2HG ARG 512 20.647 9.802 22.219 301 HD2 ARG 512 1HD ARG 512 22.026 10.037 24.202 302 HD3 ARG 512 2HD ARG 512 21.331 11.594 23.769 303 HE ARG 512 HE ARG 512 20.190 11.656 25.776 304 HH11 ARG 512 1HH1 ARG 512 21.272 8.334 25.391 305 HH12 ARG 512 2HH1 ARG 512 20.732 7.890 26.991 306 HH21 ARG 512 1HH2 ARG 512 19.530 11.013 27.784 307 HH22 ARG 512 2HH2 ARG 512 19.779 9.366 28.300 308 H LYS 513 H LYS 513 16.210 10.538 24.084 309 HA LYS 513 HA LYS 513 13.756 11.142 22.865 310 HB2 LYS 513 1HB LYS 513 13.985 10.879 25.265 311 HB3 LYS 513 2HB LYS 513 15.045 12.297 25.364 312 HG2 LYS 513 1HG LYS 513 13.143 13.766 24.701 313 HG3 LYS 513 2HG LYS 513 12.106 12.348 24.562 314 HD2 LYS 513 1HD LYS 513 11.624 13.483 26.593 315 HD3 LYS 513 2HD LYS 513 12.360 11.940 27.011 316 HE2 LYS 513 1HE LYS 513 14.138 14.380 26.751 317 HE3 LYS 513 2HE LYS 513 13.044 14.309 28.132 318 HZ1 LYS 513 3HZ LYS 513 15.196 13.340 28.679 319 HZ2 LYS 513 1HZ LYS 513 15.047 12.195 27.525 320 HZ3 LYS 513 2HZ LYS 513 14.027 12.215 28.801 321 H TRP 514 H TRP 514 16.463 13.351 23.435 322 HA TRP 514 HA TRP 514 15.148 15.639 22.164 323 HB2 TRP 514 1HB TRP 514 17.979 15.169 23.144 324 HB3 TRP 514 2HB TRP 514 17.406 16.659 22.436 325 HD1 TRP 514 HD1 TRP 514 17.143 14.620 25.638 326 HE1 TRP 514 HE1 TRP 514 16.064 16.041 27.492 327 HE3 TRP 514 HE3 TRP 514 15.849 18.722 22.876 328 HZ2 TRP 514 HZ2 TRP 514 14.644 18.549 27.702 329 HZ3 TRP 514 HZ3 TRP 514 14.655 20.632 23.927 330 HH2 TRP 514 HH2 TRP 514 14.025 20.544 26.328 331 H TRP 515 H TRP 515 14.664 15.309 20.072 332 HA TRP 515 HA TRP 515 16.498 13.975 18.173 333 HB2 TRP 515 1HB TRP 515 13.749 15.257 17.933 334 HB3 TRP 515 2HB TRP 515 14.683 14.740 16.538 335 HD1 TRP 515 HD1 TRP 515 14.804 12.500 19.567 336 HE1 TRP 515 HE1 TRP 515 13.630 10.284 19.082 337 HE3 TRP 515 HE3 TRP 515 12.621 13.735 15.109 338 HZ2 TRP 515 HZ2 TRP 515 11.943 9.180 17.022 339 HZ3 TRP 515 HZ3 TRP 515 11.278 12.046 13.874 340 HH2 TRP 515 HH2 TRP 515 10.922 9.778 14.820 341 H LYS 516 H LYS 516 17.696 14.973 16.642 342 HA LYS 516 HA LYS 516 18.066 17.924 16.856 343 HB2 LYS 516 1HB LYS 516 20.023 16.156 16.719 344 HB3 LYS 516 2HB LYS 516 19.672 16.169 14.989 345 HG2 LYS 516 1HG LYS 516 19.879 18.741 15.106 346 HG3 LYS 516 2HG LYS 516 20.397 18.535 16.778 347 HD2 LYS 516 1HD LYS 516 22.393 18.771 15.577 348 HD3 LYS 516 2HD LYS 516 22.283 17.026 15.863 349 HE2 LYS 516 1HE LYS 516 21.398 16.698 13.573 350 HE3 LYS 516 2HE LYS 516 21.374 18.454 13.321 351 HZ1 LYS 516 3HZ LYS 516 23.783 18.470 13.527 352 HZ2 LYS 516 1HZ LYS 516 23.337 17.484 12.320 353 HZ3 LYS 516 2HZ LYS 516 23.835 16.841 13.742 354 H VAL 517 H VAL 517 17.288 19.284 15.406 355 HA VAL 517 HA VAL 517 16.237 18.358 12.770 356 HB VAL 517 HB VAL 517 14.202 19.743 13.156 357 HG11 VAL 517 1HG1 VAL 517 12.947 18.072 14.467 358 HG12 VAL 517 2HG1 VAL 517 13.963 17.362 13.223 359 HG13 VAL 517 3HG1 VAL 517 14.473 17.296 14.928 360 HG21 VAL 517 3HG2 VAL 517 13.432 20.165 15.454 361 HG22 VAL 517 1HG2 VAL 517 14.986 19.603 16.090 362 HG23 VAL 517 2HG2 VAL 517 14.908 21.078 15.100 363 H ARG 518 H ARG 518 15.840 20.033 11.262 364 HA ARG 518 HA ARG 518 17.409 22.555 11.711 365 HB2 ARG 518 1HB ARG 518 18.079 20.854 9.896 366 HB3 ARG 518 2HB ARG 518 16.634 21.357 9.025 367 HG2 ARG 518 1HG ARG 518 17.514 23.760 9.194 368 HG3 ARG 518 2HG ARG 518 19.007 23.089 9.866 369 HD2 ARG 518 1HD ARG 518 17.829 22.485 7.134 370 HD3 ARG 518 2HD ARG 518 19.214 23.540 7.460 371 HE ARG 518 HE ARG 518 20.056 21.208 8.581 372 HH11 ARG 518 1HH1 ARG 518 18.856 21.890 5.357 373 HH12 ARG 518 2HH1 ARG 518 19.664 20.504 4.669 374 HH21 ARG 518 1HH2 ARG 518 21.047 19.453 7.638 375 HH22 ARG 518 2HH2 ARG 518 20.866 19.171 5.929 376 H ASP 519 H ASP 519 16.222 24.255 12.023 377 HA ASP 519 HA ASP 519 13.384 24.546 11.363 378 HB2 ASP 519 1HB ASP 519 13.807 26.842 12.392 379 HB3 ASP 519 2HB ASP 519 14.192 25.468 13.400 380 HA PRO 520 HA PRO 520 13.776 26.606 7.470 381 HB2 PRO 520 1HB PRO 520 11.797 28.509 7.473 382 HB3 PRO 520 2HB PRO 520 11.490 26.748 7.435 383 HG2 PRO 520 1HG PRO 520 11.521 28.562 9.868 384 HG3 PRO 520 2HG PRO 520 10.239 27.413 9.362 385 HD2 PRO 520 1HD PRO 520 12.078 26.693 11.186 386 HD3 PRO 520 2HD PRO 520 11.585 25.534 9.926 387 H ALA 521 H ALA 521 14.533 28.469 10.295 388 HA ALA 521 HA ALA 521 15.305 30.915 8.870 389 HB1 ALA 521 1HB ALA 521 16.082 30.036 11.682 390 HB2 ALA 521 2HB ALA 521 16.150 31.659 10.999 391 HB3 ALA 521 3HB ALA 521 14.572 30.895 11.280 392 H GLY 522 H GLY 522 16.734 27.814 9.495 393 HA2 GLY 522 1HA GLY 522 18.558 27.042 8.152 394 HA3 GLY 522 2HA GLY 522 19.255 28.664 8.140 395 H GLN 523 H GLN 523 18.108 27.636 11.252 396 HA GLN 523 HA GLN 523 20.901 27.198 12.191 397 HB2 GLN 523 1HB GLN 523 18.458 27.563 13.944 398 HB3 GLN 523 2HB GLN 523 20.152 27.713 14.367 399 HG2 GLN 523 1HG GLN 523 20.206 29.732 12.736 400 HG3 GLN 523 2HG GLN 523 18.452 29.604 12.689 401 HE21 GLN 523 2HE2 GLN 523 21.235 30.315 14.830 402 HE22 GLN 523 1HE2 GLN 523 20.259 31.108 16.060 403 H GLU 524 H GLU 524 20.797 25.590 14.228 404 HA GLU 524 HA GLU 524 19.118 23.201 13.745 405 HB2 GLU 524 1HB GLU 524 22.155 23.176 13.793 406 HB3 GLU 524 2HB GLU 524 21.176 21.746 14.108 407 HG2 GLU 524 1HG GLU 524 20.290 21.777 11.845 408 HG3 GLU 524 2HG GLU 524 21.111 23.309 11.501 409 H GLY 525 H GLY 525 18.708 22.048 15.622 410 HA2 GLY 525 1HA GLY 525 20.282 22.175 18.013 411 HA3 GLY 525 2HA GLY 525 18.912 23.277 18.124 412 H TYR 526 H TYR 526 18.441 21.725 19.938 413 HA TYR 526 HA TYR 526 17.263 19.132 19.057 414 HB2 TYR 526 1HB TYR 526 18.680 20.007 21.593 415 HB3 TYR 526 2HB TYR 526 17.810 18.498 21.435 416 HD1 TYR 526 HD1 TYR 526 18.613 16.651 20.070 417 HD2 TYR 526 HD2 TYR 526 20.833 20.332 20.312 418 HE1 TYR 526 HE1 TYR 526 20.616 15.507 19.132 419 HE2 TYR 526 HE2 TYR 526 22.824 19.205 19.356 420 HH TYR 526 HH TYR 526 23.700 17.244 18.591 421 H VAL 527 H VAL 527 15.371 18.363 19.832 422 HA VAL 527 HA VAL 527 13.728 19.867 21.780 423 HB VAL 527 HB VAL 527 11.715 19.511 20.141 424 HG11 VAL 527 1HG1 VAL 527 12.571 21.687 20.977 425 HG12 VAL 527 2HG1 VAL 527 13.647 21.759 19.567 426 HG13 VAL 527 3HG1 VAL 527 11.886 21.752 19.353 427 HG21 VAL 527 3HG2 VAL 527 13.893 19.870 18.063 428 HG22 VAL 527 1HG2 VAL 527 13.049 18.338 18.358 429 HG23 VAL 527 2HG2 VAL 527 12.143 19.761 17.796 430 HA PRO 528 HA PRO 528 12.455 15.760 22.877 431 HB2 PRO 528 1HB PRO 528 9.986 16.180 24.024 432 HB3 PRO 528 2HB PRO 528 11.534 16.638 24.791 433 HG2 PRO 528 1HG PRO 528 9.619 18.425 23.263 434 HG3 PRO 528 2HG PRO 528 10.460 18.753 24.803 435 HD2 PRO 528 1HD PRO 528 11.354 19.669 22.389 436 HD3 PRO 528 2HD PRO 528 12.461 19.231 23.718 437 H TYR 529 H TYR 529 11.695 14.104 21.614 438 HA TYR 529 HA TYR 529 10.117 14.497 19.312 439 HB2 TYR 529 1HB TYR 529 10.185 12.208 18.977 440 HB3 TYR 529 2HB TYR 529 11.655 12.560 19.858 441 HD1 TYR 529 HD1 TYR 529 11.840 11.910 22.280 442 HD2 TYR 529 HD2 TYR 529 8.455 10.763 19.884 443 HE1 TYR 529 HE1 TYR 529 11.265 10.152 23.951 444 HE2 TYR 529 HE2 TYR 529 7.857 9.025 21.564 445 HH TYR 529 HH TYR 529 8.418 8.031 23.546 446 H ASN 530 H ASN 530 8.942 14.219 22.570 447 HA ASN 530 HA ASN 530 6.410 13.039 22.120 448 HB2 ASN 530 1HB ASN 530 7.517 13.275 24.316 449 HB3 ASN 530 2HB ASN 530 7.322 15.030 24.247 450 HD21 ASN 530 2HD2 ASN 530 5.520 11.936 24.442 451 HD22 ASN 530 1HD2 ASN 530 4.086 12.664 25.150 452 H ILE 531 H ILE 531 7.326 16.504 21.913 453 HA ILE 531 HA ILE 531 4.547 17.306 21.269 454 HB ILE 531 HB ILE 531 5.392 19.554 21.063 455 HG12 ILE 531 1HG1 ILE 531 8.173 18.387 21.457 456 HG13 ILE 531 2HG1 ILE 531 7.557 19.145 19.991 457 HG21 ILE 531 1HG2 ILE 531 4.851 18.559 23.302 458 HG22 ILE 531 2HG2 ILE 531 6.588 18.282 23.557 459 HG23 ILE 531 3HG2 ILE 531 5.957 19.932 23.370 460 HD11 ILE 531 3HD1 ILE 531 9.001 20.687 21.125 461 HD12 ILE 531 1HD1 ILE 531 7.334 21.295 21.213 462 HD13 ILE 531 2HD1 ILE 531 8.094 20.531 22.636 463 H LEU 532 H LEU 532 7.273 16.174 19.510 464 HA LEU 532 HA LEU 532 6.406 17.265 16.907 465 HB2 LEU 532 1HB LEU 532 8.438 15.095 17.563 466 HB3 LEU 532 2HB LEU 532 8.176 15.835 15.991 467 HG LEU 532 HG LEU 532 9.288 17.230 18.463 468 HD11 LEU 532 1HD1 LEU 532 10.840 15.655 17.342 469 HD12 LEU 532 2HD1 LEU 532 11.353 17.335 17.153 470 HD13 LEU 532 3HD1 LEU 532 10.572 16.499 15.802 471 HD21 LEU 532 3HD2 LEU 532 8.009 18.858 17.150 472 HD22 LEU 532 1HD2 LEU 532 8.816 18.325 15.655 473 HD23 LEU 532 2HD2 LEU 532 9.738 19.138 16.939 474 H THR 533 H THR 533 5.774 15.870 15.183 475 HA THR 533 HA THR 533 4.586 13.237 15.806 476 HB THR 533 HB THR 533 2.494 14.054 14.455 477 HG1 THR 533 HG1 THR 533 3.769 16.359 14.668 478 HG21 THR 533 3HG2 THR 533 2.405 13.352 16.820 479 HG22 THR 533 1HG2 THR 533 1.295 14.688 16.465 480 HG23 THR 533 2HG2 THR 533 2.815 15.003 17.326 481 HA PRO 534 HA PRO 534 5.941 12.406 11.644 482 HB2 PRO 534 1HB PRO 534 4.017 10.713 10.639 483 HB3 PRO 534 2HB PRO 534 5.239 10.220 11.849 484 HG2 PRO 534 1HG PRO 534 2.382 11.105 12.349 485 HG3 PRO 534 2HG PRO 534 3.225 9.664 13.004 486 HD2 PRO 534 1HD PRO 534 2.997 11.937 14.449 487 HD3 PRO 534 2HD PRO 534 4.505 10.982 14.499 488 H TYR 535 H TYR 535 5.483 12.964 9.442 489 HA TYR 535 HA TYR 535 3.062 14.654 8.993 490 HB2 TYR 535 1HB TYR 535 5.095 16.019 9.241 491 HB3 TYR 535 2HB TYR 535 5.814 15.185 7.875 492 HD1 TYR 535 HD1 TYR 535 2.393 16.696 8.574 493 HD2 TYR 535 HD2 TYR 535 5.844 16.573 5.977 494 HE1 TYR 535 HE1 TYR 535 1.292 18.298 7.028 495 HE2 TYR 535 HE2 TYR 535 4.749 18.199 4.451 496 HH TYR 535 HH TYR 535 2.884 19.447 4.038 497 HA PRO 536 HA PRO 536 3.040 11.098 6.043 498 HB2 PRO 536 1HB PRO 536 0.510 10.206 6.458 499 HB3 PRO 536 2HB PRO 536 1.849 9.853 7.586 500 HG2 PRO 536 1HG PRO 536 -0.230 12.055 7.826 501 HG3 PRO 536 2HG PRO 536 0.273 10.864 9.069 502 HD2 PRO 536 1HD PRO 536 1.325 13.393 8.953 503 HD3 PRO 536 2HD PRO 536 2.287 11.978 9.464 504 H ALA 537 H ALA 537 3.342 12.923 4.607 505 HA ALA 537 HA ALA 537 0.881 13.771 3.126 506 HB1 ALA 537 1HB ALA 537 3.488 15.287 3.583 507 HB2 ALA 537 2HB ALA 537 2.088 15.866 2.652 508 HB3 ALA 537 3HB ALA 537 1.943 15.607 4.401 509 H ALA 538 H ALA 538 1.192 14.215 0.866 510 HA ALA 538 HA ALA 538 3.240 12.504 -0.486 511 HB1 ALA 538 1HB ALA 538 1.104 11.303 -0.170 512 HB2 ALA 538 2HB ALA 538 0.238 12.611 -1.006 513 HB3 ALA 538 3HB ALA 538 1.418 11.616 -1.885 514 H ALA 539 H ALA 539 2.841 15.532 -0.137 515 HA ALA 539 HA ALA 539 2.769 16.407 -2.988 516 HB1 ALA 539 1HB ALA 539 1.296 17.586 -1.395 517 HB2 ALA 539 2HB ALA 539 2.698 17.988 -0.379 518 HB3 ALA 539 3HB ALA 539 2.559 18.662 -2.017 519 H SER 540 H SER 540 4.427 17.866 -3.721 520 HA SER 540 HA SER 540 7.157 17.136 -2.781 521 HB2 SER 540 1HB SER 540 6.488 16.737 -5.143 522 HB3 SER 540 2HB SER 540 6.278 18.482 -5.364 523 HG SER 540 HG SER 540 8.463 18.770 -4.906 Start of MODEL 16 1 H1 GLY 473 H GLY 473 13.830 -7.466 5.989 2 HA2 GLY 473 1HA GLY 473 11.679 -6.017 7.385 3 HA3 GLY 473 2HA GLY 473 13.301 -5.377 7.073 4 HA PRO 474 HA PRO 474 10.472 -4.447 3.359 5 HB2 PRO 474 1HB PRO 474 9.698 -1.886 3.887 6 HB3 PRO 474 2HB PRO 474 8.823 -3.307 4.526 7 HG2 PRO 474 1HG PRO 474 10.931 -1.637 5.935 8 HG3 PRO 474 2HG PRO 474 9.307 -2.106 6.539 9 HD2 PRO 474 1HD PRO 474 11.562 -3.498 7.192 10 HD3 PRO 474 2HD PRO 474 9.993 -4.322 6.937 11 H LEU 475 H LEU 475 10.842 -2.420 1.880 12 HA LEU 475 HA LEU 475 13.707 -1.561 1.933 13 HB2 LEU 475 1HB LEU 475 12.266 -2.469 -0.584 14 HB3 LEU 475 2HB LEU 475 13.954 -2.053 -0.368 15 HG LEU 475 HG LEU 475 13.884 -4.152 1.339 16 HD11 LEU 475 1HD1 LEU 475 12.487 -5.962 0.416 17 HD12 LEU 475 2HD1 LEU 475 11.793 -4.851 -0.784 18 HD13 LEU 475 3HD1 LEU 475 11.444 -4.639 0.938 19 HD21 LEU 475 3HD2 LEU 475 14.059 -4.375 -1.693 20 HD22 LEU 475 1HD2 LEU 475 14.673 -5.568 -0.522 21 HD23 LEU 475 2HD2 LEU 475 15.383 -3.948 -0.583 22 H GLY 476 H GLY 476 14.125 0.498 1.096 23 HA2 GLY 476 1HA GLY 476 12.593 2.124 -0.549 24 HA3 GLY 476 2HA GLY 476 11.861 2.350 1.038 25 H SER 477 H SER 477 15.328 2.091 0.043 26 HA SER 477 HA SER 477 16.046 4.363 1.781 27 HB2 SER 477 1HB SER 477 17.734 2.570 0.001 28 HB3 SER 477 2HB SER 477 18.364 3.860 1.039 29 HG SER 477 HG SER 477 16.845 1.617 1.918 30 H GLY 478 H GLY 478 14.658 5.922 0.528 31 HA2 GLY 478 1HA GLY 478 16.281 7.592 -1.177 32 HA3 GLY 478 2HA GLY 478 15.144 6.663 -2.152 33 H ALA 479 H ALA 479 14.676 8.259 1.065 34 HA ALA 479 HA ALA 479 12.953 10.328 -0.151 35 HB1 ALA 479 1HB ALA 479 11.918 8.361 1.940 36 HB2 ALA 479 2HB ALA 479 11.045 9.777 1.317 37 HB3 ALA 479 3HB ALA 479 11.418 8.422 0.236 38 H LEU 480 H LEU 480 12.476 12.098 1.224 39 HA LEU 480 HA LEU 480 14.411 12.653 3.375 40 HB2 LEU 480 1HB LEU 480 12.156 14.311 2.135 41 HB3 LEU 480 2HB LEU 480 13.108 14.815 3.515 42 HG LEU 480 HG LEU 480 15.205 14.481 2.053 43 HD11 LEU 480 1HD1 LEU 480 14.201 13.349 0.100 44 HD12 LEU 480 2HD1 LEU 480 14.836 14.924 -0.367 45 HD13 LEU 480 3HD1 LEU 480 13.087 14.716 -0.137 46 HD21 LEU 480 3HD2 LEU 480 14.980 16.758 1.162 47 HD22 LEU 480 1HD2 LEU 480 14.338 16.662 2.803 48 HD23 LEU 480 2HD2 LEU 480 13.222 16.706 1.415 49 H LYS 481 H LYS 481 13.589 13.633 5.425 50 HA LYS 481 HA LYS 481 11.100 12.378 6.512 51 HB2 LYS 481 1HB LYS 481 13.879 12.376 7.764 52 HB3 LYS 481 2HB LYS 481 12.410 12.020 8.663 53 HG2 LYS 481 1HG LYS 481 13.395 10.410 6.266 54 HG3 LYS 481 2HG LYS 481 13.662 10.001 7.961 55 HD2 LYS 481 1HD LYS 481 11.184 9.882 8.312 56 HD3 LYS 481 2HD LYS 481 10.949 10.165 6.573 57 HE2 LYS 481 1HE LYS 481 12.272 8.142 6.052 58 HE3 LYS 481 2HE LYS 481 12.533 7.858 7.779 59 HZ1 LYS 481 3HZ LYS 481 9.875 7.858 6.445 60 HZ2 LYS 481 1HZ LYS 481 10.129 7.581 8.038 61 HZ3 LYS 481 2HZ LYS 481 10.688 6.527 6.926 62 H TRP 482 H TRP 482 9.835 13.707 7.473 63 HA TRP 482 HA TRP 482 10.775 16.269 8.653 64 HB2 TRP 482 1HB TRP 482 8.491 15.942 6.665 65 HB3 TRP 482 2HB TRP 482 8.825 17.394 7.584 66 HD1 TRP 482 HD1 TRP 482 10.552 15.240 4.881 67 HE1 TRP 482 HE1 TRP 482 11.787 16.787 3.252 68 HE3 TRP 482 HE3 TRP 482 9.858 19.704 7.309 69 HZ2 TRP 482 HZ2 TRP 482 12.376 19.578 3.008 70 HZ3 TRP 482 HZ3 TRP 482 10.769 21.801 6.343 71 HH2 TRP 482 HH2 TRP 482 12.024 21.760 4.197 72 H VAL 483 H VAL 483 9.332 17.172 10.164 73 HA VAL 483 HA VAL 483 7.122 15.455 11.201 74 HB VAL 483 HB VAL 483 7.971 15.992 13.530 75 HG11 VAL 483 1HG1 VAL 483 9.670 14.111 11.852 76 HG12 VAL 483 2HG1 VAL 483 9.396 14.035 13.606 77 HG13 VAL 483 3HG1 VAL 483 8.053 13.747 12.493 78 HG21 VAL 483 3HG2 VAL 483 9.724 17.654 13.072 79 HG22 VAL 483 1HG2 VAL 483 10.423 16.207 13.812 80 HG23 VAL 483 2HG2 VAL 483 10.617 16.480 12.081 81 H LEU 484 H LEU 484 5.350 16.536 11.375 82 HA LEU 484 HA LEU 484 5.250 19.476 11.467 83 HB2 LEU 484 1HB LEU 484 3.598 18.094 10.147 84 HB3 LEU 484 2HB LEU 484 3.054 17.365 11.651 85 HG LEU 484 HG LEU 484 2.274 19.597 12.456 86 HD11 LEU 484 1HD1 LEU 484 3.773 21.111 11.229 87 HD12 LEU 484 2HD1 LEU 484 2.090 21.473 10.857 88 HD13 LEU 484 3HD1 LEU 484 3.071 20.571 9.683 89 HD21 LEU 484 3HD2 LEU 484 0.756 18.078 11.212 90 HD22 LEU 484 1HD2 LEU 484 1.230 18.865 9.690 91 HD23 LEU 484 2HD2 LEU 484 0.363 19.782 10.938 92 H CYS 485 H CYS 485 5.264 20.597 13.379 93 HA CYS 485 HA CYS 485 5.469 19.266 15.925 94 HB2 CYS 485 1HB CYS 485 6.310 21.617 15.114 95 HB3 CYS 485 2HB CYS 485 4.663 22.141 15.462 96 HG CYS 485 HG CYS 485 6.937 20.747 17.440 97 H ASN 486 H ASN 486 3.940 19.241 17.705 98 HA ASN 486 HA ASN 486 1.072 19.556 16.907 99 HB2 ASN 486 1HB ASN 486 2.194 17.264 17.628 100 HB3 ASN 486 2HB ASN 486 2.039 17.894 19.236 101 HD21 ASN 486 2HD2 ASN 486 0.726 15.701 19.067 102 HD22 ASN 486 1HD2 ASN 486 -0.989 15.921 18.753 103 H TYR 487 H TYR 487 3.484 20.665 19.210 104 HA TYR 487 HA TYR 487 1.575 22.585 20.402 105 HB2 TYR 487 1HB TYR 487 3.253 20.678 22.090 106 HB3 TYR 487 2HB TYR 487 2.212 21.959 22.687 107 HD1 TYR 487 HD2 TYR 487 -0.297 21.759 22.462 108 HD2 TYR 487 HD1 TYR 487 2.369 18.516 21.450 109 HE1 TYR 487 HE2 TYR 487 -2.218 20.175 22.477 110 HE2 TYR 487 HE1 TYR 487 0.451 16.934 21.474 111 HH TYR 487 HH TYR 487 -2.892 18.021 22.161 112 H ASP 488 H ASP 488 2.587 24.500 21.031 113 HA ASP 488 HA ASP 488 5.218 25.060 20.055 114 HB2 ASP 488 1HB ASP 488 4.936 27.235 20.900 115 HB3 ASP 488 2HB ASP 488 3.353 26.721 20.333 116 H PHE 489 H PHE 489 7.099 25.765 21.190 117 HA PHE 489 HA PHE 489 7.591 25.055 23.970 118 HB2 PHE 489 1HB PHE 489 7.604 22.847 22.944 119 HB3 PHE 489 2HB PHE 489 8.741 23.353 21.718 120 HD1 PHE 489 HD2 PHE 489 8.298 22.684 25.368 121 HD2 PHE 489 HD1 PHE 489 11.107 23.256 22.149 122 HE1 PHE 489 HE2 PHE 489 10.134 21.838 26.816 123 HE2 PHE 489 HE1 PHE 489 12.935 22.376 23.591 124 HZ PHE 489 HZ PHE 489 12.455 21.689 25.927 125 H GLN 490 H GLN 490 8.503 27.021 24.308 126 HA GLN 490 HA GLN 490 10.537 28.171 22.525 127 HB2 GLN 490 1HB GLN 490 9.358 28.877 25.216 128 HB3 GLN 490 2HB GLN 490 10.822 29.684 24.608 129 HG2 GLN 490 1HG GLN 490 9.595 30.383 22.565 130 HG3 GLN 490 2HG GLN 490 8.143 29.575 23.160 131 HE21 GLN 490 2HE2 GLN 490 6.804 31.425 23.386 132 HE22 GLN 490 1HE2 GLN 490 7.195 32.730 24.501 133 H ALA 491 H ALA 491 12.664 27.736 22.576 134 HA ALA 491 HA ALA 491 13.940 26.486 24.940 135 HB1 ALA 491 1HB ALA 491 14.586 24.579 23.892 136 HB2 ALA 491 2HB ALA 491 12.926 24.762 23.296 137 HB3 ALA 491 3HB ALA 491 14.289 25.195 22.247 138 H ARG 492 H ARG 492 15.735 27.566 25.272 139 HA ARG 492 HA ARG 492 17.557 28.492 23.108 140 HB2 ARG 492 1HB ARG 492 16.182 30.338 25.124 141 HB3 ARG 492 2HB ARG 492 17.597 30.793 24.172 142 HG2 ARG 492 1HG ARG 492 16.316 30.378 22.071 143 HG3 ARG 492 2HG ARG 492 14.877 30.039 23.039 144 HD2 ARG 492 1HD ARG 492 14.795 32.304 22.171 145 HD3 ARG 492 2HD ARG 492 14.822 32.268 23.930 146 HE ARG 492 HE ARG 492 16.797 33.444 23.931 147 HH11 ARG 492 1HH1 ARG 492 16.460 32.198 20.657 148 HH12 ARG 492 2HH1 ARG 492 17.857 33.082 20.099 149 HH21 ARG 492 1HH2 ARG 492 18.540 34.529 23.143 150 HH22 ARG 492 2HH2 ARG 492 18.993 34.368 21.467 151 H ASN 493 H ASN 493 17.442 26.626 25.657 152 HA ASN 493 HA ASN 493 19.092 27.894 27.641 153 HB2 ASN 493 1HB ASN 493 17.482 26.139 28.183 154 HB3 ASN 493 2HB ASN 493 18.340 24.987 27.164 155 HD21 ASN 493 2HD2 ASN 493 19.105 23.470 28.582 156 HD22 ASN 493 1HD2 ASN 493 20.088 23.862 29.987 157 H SER 494 H SER 494 19.959 25.123 25.510 158 HA SER 494 HA SER 494 22.675 26.065 25.032 159 HB2 SER 494 1HB SER 494 22.900 25.262 27.360 160 HB3 SER 494 2HB SER 494 22.277 23.677 26.895 161 HG SER 494 HG SER 494 24.125 23.240 25.879 162 H SER 495 H SER 495 22.570 25.633 22.890 163 HA SER 495 HA SER 495 22.290 24.630 20.897 164 HB2 SER 495 1HB SER 495 23.998 23.090 21.913 165 HB3 SER 495 2HB SER 495 22.687 21.959 22.284 166 HG SER 495 HG SER 495 22.167 21.997 20.042 167 H GLU 496 H GLU 496 19.874 25.068 22.557 168 HA GLU 496 HA GLU 496 17.957 23.096 21.352 169 HB2 GLU 496 1HB GLU 496 17.534 25.094 23.598 170 HB3 GLU 496 2HB GLU 496 16.379 23.906 22.967 171 HG2 GLU 496 1HG GLU 496 17.822 22.057 23.715 172 HG3 GLU 496 2HG GLU 496 18.975 23.226 24.371 173 H LEU 497 H LEU 497 15.891 24.072 20.549 174 HA LEU 497 HA LEU 497 15.994 26.911 19.787 175 HB2 LEU 497 1HB LEU 497 17.198 25.601 17.972 176 HB3 LEU 497 2HB LEU 497 15.722 24.681 17.725 177 HG LEU 497 HG LEU 497 14.879 27.373 17.514 178 HD11 LEU 497 1HD1 LEU 497 17.231 28.109 17.452 179 HD12 LEU 497 2HD1 LEU 497 16.384 28.423 15.928 180 HD13 LEU 497 3HD1 LEU 497 17.516 27.059 16.042 181 HD21 LEU 497 3HD2 LEU 497 14.663 26.860 15.114 182 HD22 LEU 497 1HD2 LEU 497 14.074 25.542 16.140 183 HD23 LEU 497 2HD2 LEU 497 15.659 25.402 15.351 184 H SER 498 H SER 498 14.059 27.862 19.682 185 HA SER 498 HA SER 498 11.730 26.587 20.644 186 HB2 SER 498 1HB SER 498 10.593 28.735 19.999 187 HB3 SER 498 2HB SER 498 12.049 28.945 20.977 188 HG SER 498 HG SER 498 11.886 29.250 18.152 189 H VAL 499 H VAL 499 9.782 26.010 19.724 190 HA VAL 499 HA VAL 499 9.475 26.022 16.758 191 HB VAL 499 HB VAL 499 8.567 23.733 16.788 192 HG11 VAL 499 1HG1 VAL 499 10.920 24.143 16.130 193 HG12 VAL 499 2HG1 VAL 499 11.432 23.808 17.797 194 HG13 VAL 499 3HG1 VAL 499 10.666 22.535 16.827 195 HG21 VAL 499 3HG2 VAL 499 9.705 23.499 19.603 196 HG22 VAL 499 1HG2 VAL 499 7.975 23.516 19.191 197 HG23 VAL 499 2HG2 VAL 499 9.004 22.194 18.630 198 H LYS 500 H LYS 500 7.291 25.580 16.034 199 HA LYS 500 HA LYS 500 5.149 26.592 17.884 200 HB2 LYS 500 1HB LYS 500 5.619 27.284 14.948 201 HB3 LYS 500 2HB LYS 500 4.276 27.871 15.903 202 HG2 LYS 500 1HG LYS 500 7.051 28.527 16.882 203 HG3 LYS 500 2HG LYS 500 6.511 29.260 15.381 204 HD2 LYS 500 1HD LYS 500 6.105 30.783 17.161 205 HD3 LYS 500 2HD LYS 500 4.563 30.255 16.507 206 HE2 LYS 500 1HE LYS 500 5.480 28.569 18.766 207 HE3 LYS 500 2HE LYS 500 5.425 30.276 19.199 208 HZ1 LYS 500 3HZ LYS 500 3.108 28.790 18.059 209 HZ2 LYS 500 1HZ LYS 500 3.117 30.372 18.468 210 HZ3 LYS 500 2HZ LYS 500 3.280 29.243 19.626 211 H GLN 501 H GLN 501 3.080 25.866 17.442 212 HA GLN 501 HA GLN 501 2.768 23.158 16.675 213 HB2 GLN 501 1HB GLN 501 1.389 24.236 18.317 214 HB3 GLN 501 2HB GLN 501 0.766 25.399 17.138 215 HG2 GLN 501 1HG GLN 501 -0.490 23.684 15.985 216 HG3 GLN 501 2HG GLN 501 0.279 22.404 16.920 217 HE21 GLN 501 2HE2 GLN 501 -2.282 22.070 17.017 218 HE22 GLN 501 1HE2 GLN 501 -3.032 22.763 18.448 219 H ARG 502 H ARG 502 2.821 25.883 14.602 220 HA ARG 502 HA ARG 502 1.611 24.322 12.355 221 HB2 ARG 502 1HB ARG 502 0.879 26.432 11.390 222 HB3 ARG 502 2HB ARG 502 0.230 26.223 13.015 223 HG2 ARG 502 1HG ARG 502 1.949 27.770 13.926 224 HG3 ARG 502 2HG ARG 502 2.635 27.965 12.298 225 HD2 ARG 502 1HD ARG 502 0.398 28.808 11.517 226 HD3 ARG 502 2HD ARG 502 -0.173 28.727 13.196 227 HE ARG 502 HE ARG 502 2.248 30.279 13.041 228 HH11 ARG 502 1HH1 ARG 502 -1.160 30.579 12.257 229 HH12 ARG 502 2HH1 ARG 502 -1.117 32.323 12.340 230 HH21 ARG 502 1HH2 ARG 502 2.231 32.503 13.117 231 HH22 ARG 502 2HH2 ARG 502 0.752 33.374 12.813 232 H ASP 503 H ASP 503 4.464 24.557 13.377 233 HA ASP 503 HA ASP 503 5.770 25.267 10.785 234 HB2 ASP 503 1HB ASP 503 6.411 26.553 12.858 235 HB3 ASP 503 2HB ASP 503 7.017 25.045 13.550 236 H VAL 504 H VAL 504 7.138 23.770 9.843 237 HA VAL 504 HA VAL 504 7.086 20.972 10.869 238 HB VAL 504 HB VAL 504 5.323 21.151 9.245 239 HG11 VAL 504 1HG1 VAL 504 7.354 21.960 7.134 240 HG12 VAL 504 2HG1 VAL 504 5.637 21.607 6.893 241 HG13 VAL 504 3HG1 VAL 504 6.113 23.026 7.832 242 HG21 VAL 504 3HG2 VAL 504 5.957 19.339 7.752 243 HG22 VAL 504 1HG2 VAL 504 7.676 19.625 8.078 244 HG23 VAL 504 2HG2 VAL 504 6.604 19.056 9.367 245 H LEU 505 H LEU 505 8.992 20.095 11.009 246 HA LEU 505 HA LEU 505 11.317 21.509 9.746 247 HB2 LEU 505 1HB LEU 505 11.162 20.184 12.490 248 HB3 LEU 505 2HB LEU 505 12.555 20.949 11.758 249 HG LEU 505 HG LEU 505 11.936 22.498 13.266 250 HD11 LEU 505 1HD1 LEU 505 10.298 23.604 10.986 251 HD12 LEU 505 2HD1 LEU 505 12.046 23.392 10.866 252 HD13 LEU 505 3HD1 LEU 505 11.361 24.449 12.118 253 HD21 LEU 505 3HD2 LEU 505 9.793 21.560 13.991 254 HD22 LEU 505 1HD2 LEU 505 8.991 22.259 12.570 255 HD23 LEU 505 2HD2 LEU 505 9.719 23.316 13.788 256 H GLU 506 H GLU 506 13.298 20.251 9.558 257 HA GLU 506 HA GLU 506 12.762 17.539 8.481 258 HB2 GLU 506 1HB GLU 506 15.352 19.132 8.545 259 HB3 GLU 506 2HB GLU 506 15.042 17.616 7.675 260 HG2 GLU 506 1HG GLU 506 13.392 18.703 6.263 261 HG3 GLU 506 2HG GLU 506 13.635 20.248 7.095 262 H VAL 507 H VAL 507 14.371 15.798 9.020 263 HA VAL 507 HA VAL 507 15.079 15.841 11.944 264 HB VAL 507 HB VAL 507 14.267 13.449 10.250 265 HG11 VAL 507 1HG1 VAL 507 14.241 12.258 12.442 266 HG12 VAL 507 2HG1 VAL 507 15.864 12.801 12.012 267 HG13 VAL 507 3HG1 VAL 507 14.925 13.697 13.226 268 HG21 VAL 507 3HG2 VAL 507 12.266 13.382 11.709 269 HG22 VAL 507 1HG2 VAL 507 12.772 14.905 12.476 270 HG23 VAL 507 2HG2 VAL 507 12.314 14.867 10.760 271 H LEU 508 H LEU 508 17.121 15.680 12.422 272 HA LEU 508 HA LEU 508 19.140 14.874 10.350 273 HB2 LEU 508 1HB LEU 508 19.390 16.681 12.784 274 HB3 LEU 508 2HB LEU 508 20.656 16.349 11.613 275 HG LEU 508 HG LEU 508 18.044 17.786 10.933 276 HD11 LEU 508 1HD1 LEU 508 19.227 19.147 12.481 277 HD12 LEU 508 2HD1 LEU 508 19.619 19.798 10.888 278 HD13 LEU 508 3HD1 LEU 508 20.798 18.787 11.724 279 HD21 LEU 508 3HD2 LEU 508 19.214 18.456 8.897 280 HD22 LEU 508 1HD2 LEU 508 19.154 16.696 8.988 281 HD23 LEU 508 2HD2 LEU 508 20.665 17.544 9.393 282 H ASP 509 H ASP 509 18.230 14.540 13.773 283 HA ASP 509 HA ASP 509 19.596 11.923 13.871 284 HB2 ASP 509 1HB ASP 509 20.059 14.134 15.917 285 HB3 ASP 509 2HB ASP 509 20.356 12.435 16.229 286 H ASP 510 H ASP 510 18.395 10.468 14.809 287 HA ASP 510 HA ASP 510 16.091 11.166 16.564 288 HB2 ASP 510 1HB ASP 510 14.679 9.727 15.314 289 HB3 ASP 510 2HB ASP 510 15.445 10.803 14.160 290 H SER 511 H SER 511 18.951 9.825 16.788 291 HA SER 511 HA SER 511 18.554 7.111 17.654 292 HB2 SER 511 1HB SER 511 20.901 7.345 18.460 293 HB3 SER 511 2HB SER 511 20.675 7.842 16.775 294 HG SER 511 HG SER 511 21.932 9.353 17.931 295 H ARG 512 H ARG 512 18.263 10.154 19.325 296 HA ARG 512 HA ARG 512 17.785 8.798 21.957 297 HB2 ARG 512 1HB ARG 512 19.068 11.493 21.272 298 HB3 ARG 512 2HB ARG 512 18.661 11.012 22.911 299 HG2 ARG 512 1HG ARG 512 20.634 9.482 21.149 300 HG3 ARG 512 2HG ARG 512 21.052 10.750 22.291 301 HD2 ARG 512 1HD ARG 512 19.886 9.383 24.101 302 HD3 ARG 512 2HD ARG 512 19.771 8.059 22.923 303 HE ARG 512 HE ARG 512 22.470 8.820 22.953 304 HH11 ARG 512 1HH1 ARG 512 20.245 7.517 25.338 305 HH12 ARG 512 2HH1 ARG 512 21.535 6.820 26.288 306 HH21 ARG 512 1HH2 ARG 512 24.058 7.911 24.220 307 HH22 ARG 512 2HH2 ARG 512 23.626 7.035 25.665 308 H LYS 513 H LYS 513 16.553 10.255 23.470 309 HA LYS 513 HA LYS 513 13.890 10.747 22.531 310 HB2 LYS 513 1HB LYS 513 15.288 11.851 25.009 311 HB3 LYS 513 2HB LYS 513 13.547 11.761 24.771 312 HG2 LYS 513 1HG LYS 513 15.379 9.318 24.916 313 HG3 LYS 513 2HG LYS 513 14.533 10.023 26.288 314 HD2 LYS 513 1HD LYS 513 12.360 9.575 25.264 315 HD3 LYS 513 2HD LYS 513 13.145 8.898 23.815 316 HE2 LYS 513 1HE LYS 513 14.173 7.123 25.128 317 HE3 LYS 513 2HE LYS 513 13.616 7.852 26.641 318 HZ1 LYS 513 3HZ LYS 513 12.200 5.997 25.954 319 HZ2 LYS 513 1HZ LYS 513 11.818 6.739 24.552 320 HZ3 LYS 513 2HZ LYS 513 11.337 7.378 25.986 321 H TRP 514 H TRP 514 16.620 12.928 22.910 322 HA TRP 514 HA TRP 514 15.065 15.314 22.097 323 HB2 TRP 514 1HB TRP 514 17.950 14.912 22.943 324 HB3 TRP 514 2HB TRP 514 17.290 16.432 22.370 325 HD1 TRP 514 HD1 TRP 514 17.004 14.028 25.344 326 HE1 TRP 514 HE1 TRP 514 15.961 15.259 27.343 327 HE3 TRP 514 HE3 TRP 514 15.876 18.462 23.056 328 HZ2 TRP 514 HZ2 TRP 514 14.747 17.832 27.866 329 HZ3 TRP 514 HZ3 TRP 514 14.779 20.294 24.321 330 HH2 TRP 514 HH2 TRP 514 14.208 19.990 26.725 331 H TRP 515 H TRP 515 14.478 14.979 19.987 332 HA TRP 515 HA TRP 515 16.347 14.012 17.954 333 HB2 TRP 515 1HB TRP 515 13.568 15.244 17.818 334 HB3 TRP 515 2HB TRP 515 14.515 14.854 16.390 335 HD1 TRP 515 HD1 TRP 515 14.686 12.391 19.246 336 HE1 TRP 515 HE1 TRP 515 13.575 10.199 18.604 337 HE3 TRP 515 HE3 TRP 515 12.503 13.897 14.868 338 HZ2 TRP 515 HZ2 TRP 515 11.802 9.249 16.529 339 HZ3 TRP 515 HZ3 TRP 515 11.118 12.299 13.558 340 HH2 TRP 515 HH2 TRP 515 10.755 9.984 14.374 341 H LYS 516 H LYS 516 17.416 15.138 16.446 342 HA LYS 516 HA LYS 516 17.756 18.085 16.878 343 HB2 LYS 516 1HB LYS 516 19.772 16.560 16.906 344 HB3 LYS 516 2HB LYS 516 19.475 16.218 15.200 345 HG2 LYS 516 1HG LYS 516 19.766 18.570 14.634 346 HG3 LYS 516 2HG LYS 516 19.906 19.020 16.341 347 HD2 LYS 516 1HD LYS 516 21.993 17.823 16.568 348 HD3 LYS 516 2HD LYS 516 21.823 17.094 14.955 349 HE2 LYS 516 1HE LYS 516 21.998 19.274 13.883 350 HE3 LYS 516 2HE LYS 516 22.035 20.094 15.449 351 HZ1 LYS 516 3HZ LYS 516 24.160 19.026 15.908 352 HZ2 LYS 516 1HZ LYS 516 24.246 19.823 14.482 353 HZ3 LYS 516 2HZ LYS 516 24.117 18.194 14.499 354 H VAL 517 H VAL 517 16.812 19.424 15.539 355 HA VAL 517 HA VAL 517 15.834 18.485 12.852 356 HB VAL 517 HB VAL 517 13.864 19.771 13.113 357 HG11 VAL 517 1HG1 VAL 517 14.130 18.082 15.625 358 HG12 VAL 517 2HG1 VAL 517 12.643 18.497 14.752 359 HG13 VAL 517 3HG1 VAL 517 13.841 17.441 13.993 360 HG21 VAL 517 3HG2 VAL 517 13.156 20.857 15.200 361 HG22 VAL 517 1HG2 VAL 517 14.745 20.533 15.919 362 HG23 VAL 517 2HG2 VAL 517 14.593 21.633 14.531 363 H ARG 518 H ARG 518 15.571 20.090 11.258 364 HA ARG 518 HA ARG 518 17.421 22.448 11.554 365 HB2 ARG 518 1HB ARG 518 17.905 20.550 9.798 366 HB3 ARG 518 2HB ARG 518 16.565 21.244 8.900 367 HG2 ARG 518 1HG ARG 518 17.754 23.514 9.129 368 HG3 ARG 518 2HG ARG 518 19.149 22.628 9.753 369 HD2 ARG 518 1HD ARG 518 17.834 22.218 7.039 370 HD3 ARG 518 2HD ARG 518 19.297 23.172 7.329 371 HE ARG 518 HE ARG 518 19.959 20.704 8.369 372 HH11 ARG 518 1HH1 ARG 518 18.884 21.757 5.202 373 HH12 ARG 518 2HH1 ARG 518 19.751 20.486 4.379 374 HH21 ARG 518 1HH2 ARG 518 20.989 19.056 7.252 375 HH22 ARG 518 2HH2 ARG 518 20.889 18.998 5.514 376 H ASP 519 H ASP 519 16.378 24.271 11.752 377 HA ASP 519 HA ASP 519 13.624 24.747 10.892 378 HB2 ASP 519 1HB ASP 519 14.088 27.050 11.765 379 HB3 ASP 519 2HB ASP 519 14.315 25.750 12.927 380 HA PRO 520 HA PRO 520 14.452 26.330 6.884 381 HB2 PRO 520 1HB PRO 520 12.538 28.271 6.513 382 HB3 PRO 520 2HB PRO 520 12.197 26.518 6.604 383 HG2 PRO 520 1HG PRO 520 12.009 28.555 8.843 384 HG3 PRO 520 2HG PRO 520 10.775 27.353 8.335 385 HD2 PRO 520 1HD PRO 520 12.435 26.843 10.393 386 HD3 PRO 520 2HD PRO 520 12.032 25.554 9.226 387 H ALA 521 H ALA 521 15.043 28.439 9.552 388 HA ALA 521 HA ALA 521 16.095 30.680 7.976 389 HB1 ALA 521 1HB ALA 521 16.599 30.025 10.908 390 HB2 ALA 521 2HB ALA 521 16.835 31.566 10.089 391 HB3 ALA 521 3HB ALA 521 15.189 30.940 10.314 392 H GLY 522 H GLY 522 17.241 27.555 8.973 393 HA2 GLY 522 1HA GLY 522 19.105 26.539 7.892 394 HA3 GLY 522 2HA GLY 522 19.903 28.106 7.749 395 H GLN 523 H GLN 523 18.479 27.516 10.853 396 HA GLN 523 HA GLN 523 21.144 26.981 12.075 397 HB2 GLN 523 1HB GLN 523 18.603 27.683 13.563 398 HB3 GLN 523 2HB GLN 523 20.265 27.756 14.112 399 HG2 GLN 523 1HG GLN 523 20.598 29.635 12.370 400 HG3 GLN 523 2HG GLN 523 18.864 29.571 12.105 401 HE21 GLN 523 2HE2 GLN 523 18.165 31.532 12.982 402 HE22 GLN 523 1HE2 GLN 523 18.492 32.005 14.644 403 H GLU 524 H GLU 524 20.475 25.625 14.321 404 HA GLU 524 HA GLU 524 18.784 23.290 13.693 405 HB2 GLU 524 1HB GLU 524 21.676 23.002 14.550 406 HB3 GLU 524 2HB GLU 524 20.532 21.682 14.346 407 HG2 GLU 524 1HG GLU 524 20.476 22.051 11.929 408 HG3 GLU 524 2HG GLU 524 21.552 23.448 12.078 409 H GLY 525 H GLY 525 18.221 22.082 15.642 410 HA2 GLY 525 1HA GLY 525 19.468 22.715 18.174 411 HA3 GLY 525 2HA GLY 525 17.863 23.433 18.071 412 H TYR 526 H TYR 526 18.768 21.490 19.929 413 HA TYR 526 HA TYR 526 17.350 18.989 19.330 414 HB2 TYR 526 1HB TYR 526 18.659 20.100 21.840 415 HB3 TYR 526 2HB TYR 526 17.887 18.529 21.746 416 HD1 TYR 526 HD1 TYR 526 18.678 16.969 19.735 417 HD2 TYR 526 HD2 TYR 526 21.000 20.167 21.463 418 HE1 TYR 526 HE1 TYR 526 20.751 15.926 18.857 419 HE2 TYR 526 HE2 TYR 526 23.085 19.135 20.560 420 HH TYR 526 HH TYR 526 23.030 16.085 18.689 421 H VAL 527 H VAL 527 15.368 18.402 19.980 422 HA VAL 527 HA VAL 527 13.812 19.930 21.973 423 HB VAL 527 HB VAL 527 11.780 19.704 20.383 424 HG11 VAL 527 1HG1 VAL 527 12.033 21.927 19.527 425 HG12 VAL 527 2HG1 VAL 527 12.728 21.850 21.147 426 HG13 VAL 527 3HG1 VAL 527 13.796 21.867 19.729 427 HG21 VAL 527 3HG2 VAL 527 12.151 19.902 18.009 428 HG22 VAL 527 1HG2 VAL 527 13.911 19.902 18.217 429 HG23 VAL 527 2HG2 VAL 527 12.982 18.437 18.573 430 HA PRO 528 HA PRO 528 12.551 15.799 22.993 431 HB2 PRO 528 1HB PRO 528 10.101 16.185 24.214 432 HB3 PRO 528 2HB PRO 528 11.679 16.579 24.964 433 HG2 PRO 528 1HG PRO 528 9.726 18.432 23.610 434 HG3 PRO 528 2HG PRO 528 10.663 18.703 25.102 435 HD2 PRO 528 1HD PRO 528 11.392 19.698 22.642 436 HD3 PRO 528 2HD PRO 528 12.568 19.278 23.906 437 H TYR 529 H TYR 529 11.819 14.220 21.652 438 HA TYR 529 HA TYR 529 10.269 14.704 19.366 439 HB2 TYR 529 1HB TYR 529 10.459 12.472 18.891 440 HB3 TYR 529 2HB TYR 529 11.850 12.736 19.914 441 HD1 TYR 529 HD2 TYR 529 11.312 12.300 22.584 442 HD2 TYR 529 HD1 TYR 529 9.160 10.579 19.255 443 HE1 TYR 529 HE2 TYR 529 10.463 10.507 24.065 444 HE2 TYR 529 HE1 TYR 529 8.335 8.760 20.747 445 HH TYR 529 HH TYR 529 9.141 8.651 24.229 446 H ASN 530 H ASN 530 9.056 14.146 22.587 447 HA ASN 530 HA ASN 530 6.566 12.946 22.051 448 HB2 ASN 530 1HB ASN 530 7.620 13.095 24.270 449 HB3 ASN 530 2HB ASN 530 7.424 14.853 24.275 450 HD21 ASN 530 2HD2 ASN 530 5.556 11.775 24.193 451 HD22 ASN 530 1HD2 ASN 530 4.144 12.468 24.979 452 H ILE 531 H ILE 531 7.384 16.427 21.940 453 HA ILE 531 HA ILE 531 4.572 17.195 21.418 454 HB ILE 531 HB ILE 531 5.448 19.469 21.185 455 HG12 ILE 531 1HG1 ILE 531 8.173 18.532 22.089 456 HG13 ILE 531 2HG1 ILE 531 7.830 18.586 20.367 457 HG21 ILE 531 1HG2 ILE 531 6.002 19.791 23.546 458 HG22 ILE 531 2HG2 ILE 531 4.762 18.542 23.388 459 HG23 ILE 531 3HG2 ILE 531 6.447 18.083 23.716 460 HD11 ILE 531 3HD1 ILE 531 8.917 20.662 21.382 461 HD12 ILE 531 1HD1 ILE 531 7.481 20.911 20.352 462 HD13 ILE 531 2HD1 ILE 531 7.323 20.965 22.116 463 H LEU 532 H LEU 532 7.133 16.053 19.520 464 HA LEU 532 HA LEU 532 6.256 17.381 17.019 465 HB2 LEU 532 1HB LEU 532 8.331 15.192 17.419 466 HB3 LEU 532 2HB LEU 532 8.074 16.165 15.979 467 HG LEU 532 HG LEU 532 9.165 17.145 18.653 468 HD11 LEU 532 1HD1 LEU 532 10.718 15.786 17.254 469 HD12 LEU 532 2HD1 LEU 532 11.236 17.466 17.443 470 HD13 LEU 532 3HD1 LEU 532 10.489 16.946 15.927 471 HD21 LEU 532 3HD2 LEU 532 8.684 18.702 16.073 472 HD22 LEU 532 1HD2 LEU 532 9.603 19.290 17.477 473 HD23 LEU 532 2HD2 LEU 532 7.876 18.963 17.639 474 H THR 533 H THR 533 5.519 16.087 15.236 475 HA THR 533 HA THR 533 4.544 13.351 15.800 476 HB THR 533 HB THR 533 2.374 14.119 14.483 477 HG1 THR 533 HG1 THR 533 3.343 16.442 14.683 478 HG21 THR 533 3HG2 THR 533 1.175 14.389 16.579 479 HG22 THR 533 1HG2 THR 533 2.689 14.726 17.446 480 HG23 THR 533 2HG2 THR 533 2.396 13.119 16.749 481 HA PRO 534 HA PRO 534 5.798 12.709 11.573 482 HB2 PRO 534 1HB PRO 534 3.932 10.929 10.606 483 HB3 PRO 534 2HB PRO 534 5.235 10.477 11.747 484 HG2 PRO 534 1HG PRO 534 2.356 11.181 12.396 485 HG3 PRO 534 2HG PRO 534 3.307 9.773 12.969 486 HD2 PRO 534 1HD PRO 534 3.017 11.988 14.489 487 HD3 PRO 534 2HD PRO 534 4.577 11.122 14.446 488 H TYR 535 H TYR 535 5.102 13.170 9.363 489 HA TYR 535 HA TYR 535 2.645 14.850 9.167 490 HB2 TYR 535 1HB TYR 535 4.651 16.231 9.094 491 HB3 TYR 535 2HB TYR 535 5.248 15.310 7.724 492 HD1 TYR 535 HD1 TYR 535 1.736 16.604 8.421 493 HD2 TYR 535 HD2 TYR 535 5.273 16.866 5.947 494 HE1 TYR 535 HE1 TYR 535 0.510 18.035 6.817 495 HE2 TYR 535 HE2 TYR 535 4.052 18.360 4.379 496 HH TYR 535 HH TYR 535 2.065 19.377 3.889 497 HA PRO 536 HA PRO 536 2.064 11.290 6.269 498 HB2 PRO 536 1HB PRO 536 -0.473 10.631 6.996 499 HB3 PRO 536 2HB PRO 536 0.953 10.113 7.944 500 HG2 PRO 536 1HG PRO 536 -0.851 12.500 8.459 501 HG3 PRO 536 2HG PRO 536 -0.337 11.231 9.618 502 HD2 PRO 536 1HD PRO 536 0.935 13.643 9.421 503 HD3 PRO 536 2HD PRO 536 1.818 12.133 9.795 504 H ALA 537 H ALA 537 0.159 11.073 4.675 505 HA ALA 537 HA ALA 537 -0.842 11.896 2.838 506 HB1 ALA 537 1HB ALA 537 -2.564 12.367 4.569 507 HB2 ALA 537 2HB ALA 537 -1.947 14.032 4.704 508 HB3 ALA 537 3HB ALA 537 -2.657 13.464 3.180 509 H ALA 538 H ALA 538 1.873 12.899 3.366 510 HA ALA 538 HA ALA 538 1.914 15.607 2.164 511 HB1 ALA 538 1HB ALA 538 4.087 13.971 3.537 512 HB2 ALA 538 2HB ALA 538 4.184 15.685 3.076 513 HB3 ALA 538 3HB ALA 538 3.036 15.170 4.323 514 H ALA 539 H ALA 539 1.565 12.918 0.629 515 HA ALA 539 HA ALA 539 3.827 12.377 -0.972 516 HB1 ALA 539 1HB ALA 539 1.857 10.907 -0.756 517 HB2 ALA 539 2HB ALA 539 0.858 12.105 -1.614 518 HB3 ALA 539 3HB ALA 539 2.185 11.282 -2.458 519 H SER 540 H SER 540 4.424 12.930 -3.045 520 HA SER 540 HA SER 540 4.076 15.645 -3.985 521 HB2 SER 540 1HB SER 540 6.125 14.229 -4.287 522 HB3 SER 540 2HB SER 540 5.231 13.242 -5.457 523 HG SER 540 HG SER 540 4.942 15.125 -6.723 Start of MODEL 17 1 H1 GLY 473 H GLY 473 7.775 2.559 -13.749 2 HA2 GLY 473 1HA GLY 473 5.626 3.121 -12.883 3 HA3 GLY 473 2HA GLY 473 5.822 1.843 -11.655 4 HA PRO 474 HA PRO 474 7.115 6.058 -10.120 5 HB2 PRO 474 1HB PRO 474 5.647 6.155 -7.802 6 HB3 PRO 474 2HB PRO 474 5.004 6.565 -9.418 7 HG2 PRO 474 1HG PRO 474 4.741 3.928 -7.937 8 HG3 PRO 474 2HG PRO 474 3.460 4.866 -8.763 9 HD2 PRO 474 1HD PRO 474 4.713 2.768 -9.955 10 HD3 PRO 474 2HD PRO 474 4.238 4.214 -10.897 11 H LEU 475 H LEU 475 9.151 5.965 -9.454 12 HA LEU 475 HA LEU 475 10.079 4.112 -7.343 13 HB2 LEU 475 1HB LEU 475 11.354 4.410 -9.439 14 HB3 LEU 475 2HB LEU 475 11.499 6.135 -9.126 15 HG LEU 475 HG LEU 475 12.843 5.618 -7.056 16 HD11 LEU 475 1HD1 LEU 475 13.812 3.344 -6.832 17 HD12 LEU 475 2HD1 LEU 475 12.760 2.767 -8.143 18 HD13 LEU 475 3HD1 LEU 475 12.062 3.312 -6.601 19 HD21 LEU 475 3HD2 LEU 475 13.927 6.172 -9.182 20 HD22 LEU 475 1HD2 LEU 475 13.910 4.458 -9.657 21 HD23 LEU 475 2HD2 LEU 475 14.881 4.997 -8.266 22 H GLY 476 H GLY 476 10.063 7.639 -7.930 23 HA2 GLY 476 1HA GLY 476 9.347 9.127 -6.059 24 HA3 GLY 476 2HA GLY 476 10.405 8.207 -4.996 25 H SER 477 H SER 477 10.444 11.017 -5.499 26 HA SER 477 HA SER 477 13.286 11.399 -6.387 27 HB2 SER 477 1HB SER 477 10.944 13.207 -7.094 28 HB3 SER 477 2HB SER 477 12.641 13.472 -7.524 29 HG SER 477 HG SER 477 11.429 12.549 -9.229 30 H GLY 478 H GLY 478 11.179 11.765 -3.842 31 HA2 GLY 478 1HA GLY 478 12.654 14.061 -2.620 32 HA3 GLY 478 2HA GLY 478 10.886 14.010 -2.638 33 H ALA 479 H ALA 479 13.295 11.457 -2.116 34 HA ALA 479 HA ALA 479 11.973 10.264 0.140 35 HB1 ALA 479 1HB ALA 479 14.728 9.798 -1.075 36 HB2 ALA 479 2HB ALA 479 13.897 8.730 0.078 37 HB3 ALA 479 3HB ALA 479 13.217 8.985 -1.539 38 H LEU 480 H LEU 480 11.870 12.295 1.412 39 HA LEU 480 HA LEU 480 14.132 12.461 3.369 40 HB2 LEU 480 1HB LEU 480 12.393 14.765 2.370 41 HB3 LEU 480 2HB LEU 480 13.495 14.824 3.734 42 HG LEU 480 HG LEU 480 15.303 14.058 1.906 43 HD11 LEU 480 1HD1 LEU 480 14.904 15.279 -0.234 44 HD12 LEU 480 2HD1 LEU 480 13.242 15.634 0.282 45 HD13 LEU 480 3HD1 LEU 480 13.756 13.963 -0.017 46 HD21 LEU 480 3HD2 LEU 480 14.255 16.902 2.221 47 HD22 LEU 480 1HD2 LEU 480 15.861 16.443 1.614 48 HD23 LEU 480 2HD2 LEU 480 15.420 16.086 3.285 49 H LYS 481 H LYS 481 13.449 13.169 5.510 50 HA LYS 481 HA LYS 481 10.653 12.366 6.255 51 HB2 LYS 481 1HB LYS 481 13.302 11.730 7.603 52 HB3 LYS 481 2HB LYS 481 11.801 11.810 8.508 53 HG2 LYS 481 1HG LYS 481 12.129 9.550 8.038 54 HG3 LYS 481 2HG LYS 481 10.792 10.082 7.021 55 HD2 LYS 481 1HD LYS 481 12.246 10.063 5.038 56 HD3 LYS 481 2HD LYS 481 13.672 9.800 6.051 57 HE2 LYS 481 1HE LYS 481 13.107 7.712 5.036 58 HE3 LYS 481 2HE LYS 481 12.737 7.597 6.758 59 HZ1 LYS 481 3HZ LYS 481 10.382 7.954 6.204 60 HZ2 LYS 481 1HZ LYS 481 10.957 6.673 5.374 61 HZ3 LYS 481 2HZ LYS 481 10.734 8.095 4.609 62 H TRP 482 H TRP 482 9.525 13.789 7.220 63 HA TRP 482 HA TRP 482 10.713 16.156 8.599 64 HB2 TRP 482 1HB TRP 482 8.446 16.131 6.569 65 HB3 TRP 482 2HB TRP 482 8.870 17.499 7.582 66 HD1 TRP 482 HD1 TRP 482 10.401 15.403 4.730 67 HE1 TRP 482 HE1 TRP 482 11.955 16.899 3.340 68 HE3 TRP 482 HE3 TRP 482 10.134 19.693 7.530 69 HZ2 TRP 482 HZ2 TRP 482 12.960 19.603 3.431 70 HZ3 TRP 482 HZ3 TRP 482 11.375 21.724 6.833 71 HH2 TRP 482 HH2 TRP 482 12.790 21.693 4.790 72 H VAL 483 H VAL 483 9.355 17.131 10.154 73 HA VAL 483 HA VAL 483 7.072 15.484 11.175 74 HB VAL 483 HB VAL 483 7.941 15.964 13.498 75 HG11 VAL 483 1HG1 VAL 483 8.015 13.739 12.439 76 HG12 VAL 483 2HG1 VAL 483 9.618 14.108 11.772 77 HG13 VAL 483 3HG1 VAL 483 9.379 14.014 13.531 78 HG21 VAL 483 3HG2 VAL 483 10.570 16.518 12.047 79 HG22 VAL 483 1HG2 VAL 483 9.669 17.645 13.081 80 HG23 VAL 483 2HG2 VAL 483 10.397 16.192 13.770 81 H LEU 484 H LEU 484 5.354 16.538 11.665 82 HA LEU 484 HA LEU 484 5.346 19.504 11.614 83 HB2 LEU 484 1HB LEU 484 3.781 17.912 10.224 84 HB3 LEU 484 2HB LEU 484 2.891 17.712 11.717 85 HG LEU 484 HG LEU 484 3.538 20.459 10.529 86 HD11 LEU 484 1HD1 LEU 484 1.083 18.729 10.047 87 HD12 LEU 484 2HD1 LEU 484 2.294 19.244 8.852 88 HD13 LEU 484 3HD1 LEU 484 1.237 20.440 9.592 89 HD21 LEU 484 3HD2 LEU 484 2.808 20.596 12.846 90 HD22 LEU 484 1HD2 LEU 484 1.417 19.538 12.506 91 HD23 LEU 484 2HD2 LEU 484 1.519 21.168 11.801 92 H CYS 485 H CYS 485 5.597 20.470 13.503 93 HA CYS 485 HA CYS 485 5.564 19.274 16.085 94 HB2 CYS 485 1HB CYS 485 5.554 22.056 14.916 95 HB3 CYS 485 2HB CYS 485 5.432 21.879 16.649 96 HG CYS 485 HG CYS 485 7.925 22.381 15.590 97 H ASN 486 H ASN 486 3.890 18.606 17.306 98 HA ASN 486 HA ASN 486 1.133 19.355 16.642 99 HB2 ASN 486 1HB ASN 486 2.253 17.041 17.493 100 HB3 ASN 486 2HB ASN 486 1.840 17.700 19.050 101 HD21 ASN 486 2HD2 ASN 486 0.685 16.209 16.177 102 HD22 ASN 486 1HD2 ASN 486 -1.028 16.185 16.615 103 H TYR 487 H TYR 487 3.542 20.352 18.952 104 HA TYR 487 HA TYR 487 1.694 22.303 20.225 105 HB2 TYR 487 1HB TYR 487 3.562 20.460 21.774 106 HB3 TYR 487 2HB TYR 487 2.547 21.721 22.449 107 HD1 TYR 487 HD1 TYR 487 0.047 21.449 22.504 108 HD2 TYR 487 HD2 TYR 487 2.678 18.278 21.238 109 HE1 TYR 487 HE1 TYR 487 -1.810 19.806 22.760 110 HE2 TYR 487 HE2 TYR 487 0.816 16.639 21.452 111 HH TYR 487 HH TYR 487 -2.451 17.618 22.542 112 H ASP 488 H ASP 488 2.800 24.099 21.197 113 HA ASP 488 HA ASP 488 5.390 24.786 20.009 114 HB2 ASP 488 1HB ASP 488 5.086 26.927 20.989 115 HB3 ASP 488 2HB ASP 488 3.546 26.443 20.291 116 H PHE 489 H PHE 489 7.238 25.419 21.187 117 HA PHE 489 HA PHE 489 7.559 24.850 24.042 118 HB2 PHE 489 1HB PHE 489 7.821 22.614 23.120 119 HB3 PHE 489 2HB PHE 489 8.970 23.183 21.927 120 HD1 PHE 489 HD1 PHE 489 8.466 22.674 25.603 121 HD2 PHE 489 HD2 PHE 489 11.312 23.210 22.405 122 HE1 PHE 489 HE1 PHE 489 10.314 22.001 27.125 123 HE2 PHE 489 HE2 PHE 489 13.143 22.484 23.913 124 HZ PHE 489 HZ PHE 489 12.653 21.912 26.281 125 H GLN 490 H GLN 490 8.598 26.669 24.657 126 HA GLN 490 HA GLN 490 10.393 28.126 22.833 127 HB2 GLN 490 1HB GLN 490 8.762 29.249 24.387 128 HB3 GLN 490 2HB GLN 490 9.733 28.683 25.754 129 HG2 GLN 490 1HG GLN 490 11.703 29.951 24.813 130 HG3 GLN 490 2HG GLN 490 10.683 30.491 23.477 131 HE21 GLN 490 2HE2 GLN 490 9.728 32.521 23.784 132 HE22 GLN 490 1HE2 GLN 490 9.464 33.239 25.369 133 H ALA 491 H ALA 491 12.561 27.806 22.743 134 HA ALA 491 HA ALA 491 14.084 26.659 25.021 135 HB1 ALA 491 1HB ALA 491 14.707 24.768 24.034 136 HB2 ALA 491 2HB ALA 491 13.046 24.868 23.434 137 HB3 ALA 491 3HB ALA 491 14.389 25.329 22.370 138 H ARG 492 H ARG 492 15.844 27.862 25.208 139 HA ARG 492 HA ARG 492 17.429 28.831 22.871 140 HB2 ARG 492 1HB ARG 492 15.679 30.452 24.676 141 HB3 ARG 492 2HB ARG 492 17.284 31.115 24.509 142 HG2 ARG 492 1HG ARG 492 15.621 30.332 22.087 143 HG3 ARG 492 2HG ARG 492 15.528 31.923 22.868 144 HD2 ARG 492 1HD ARG 492 18.025 32.147 22.540 145 HD3 ARG 492 2HD ARG 492 17.978 30.658 21.573 146 HE ARG 492 HE ARG 492 16.028 32.411 20.507 147 HH11 ARG 492 1HH1 ARG 492 19.527 32.384 20.776 148 HH12 ARG 492 2HH1 ARG 492 19.729 33.445 19.405 149 HH21 ARG 492 1HH2 ARG 492 16.360 33.771 18.781 150 HH22 ARG 492 2HH2 ARG 492 17.982 34.204 18.309 151 H ASN 493 H ASN 493 17.679 27.008 25.319 152 HA ASN 493 HA ASN 493 19.177 28.227 27.332 153 HB2 ASN 493 1HB ASN 493 19.028 25.301 26.485 154 HB3 ASN 493 2HB ASN 493 19.857 25.851 27.934 155 HD21 ASN 493 2HD2 ASN 493 18.404 24.544 29.201 156 HD22 ASN 493 1HD2 ASN 493 16.788 25.146 29.542 157 H SER 494 H SER 494 20.573 26.347 24.635 158 HA SER 494 HA SER 494 22.911 27.991 24.442 159 HB2 SER 494 1HB SER 494 23.549 26.683 26.512 160 HB3 SER 494 2HB SER 494 23.452 25.201 25.557 161 HG SER 494 HG SER 494 25.217 27.409 25.239 162 H SER 495 H SER 495 21.759 24.638 23.874 163 HA SER 495 HA SER 495 22.336 24.908 20.946 164 HB2 SER 495 1HB SER 495 22.796 22.422 22.640 165 HB3 SER 495 2HB SER 495 23.103 22.596 20.902 166 HG SER 495 HG SER 495 24.615 24.294 21.491 167 H GLU 496 H GLU 496 19.884 25.161 22.655 168 HA GLU 496 HA GLU 496 18.043 23.143 21.420 169 HB2 GLU 496 1HB GLU 496 17.806 24.956 23.853 170 HB3 GLU 496 2HB GLU 496 16.459 24.078 23.114 171 HG2 GLU 496 1HG GLU 496 17.343 21.962 23.636 172 HG3 GLU 496 2HG GLU 496 18.928 22.623 24.054 173 H LEU 497 H LEU 497 15.983 24.058 20.622 174 HA LEU 497 HA LEU 497 16.020 26.907 19.802 175 HB2 LEU 497 1HB LEU 497 17.253 25.444 18.061 176 HB3 LEU 497 2HB LEU 497 15.755 24.569 17.847 177 HG LEU 497 HG LEU 497 14.973 27.259 17.518 178 HD11 LEU 497 1HD1 LEU 497 17.632 26.848 16.106 179 HD12 LEU 497 2HD1 LEU 497 17.346 27.952 17.471 180 HD13 LEU 497 3HD1 LEU 497 16.533 28.228 15.923 181 HD21 LEU 497 3HD2 LEU 497 14.770 26.676 15.144 182 HD22 LEU 497 1HD2 LEU 497 14.182 25.376 16.191 183 HD23 LEU 497 2HD2 LEU 497 15.772 25.231 15.412 184 H SER 498 H SER 498 14.043 27.797 19.654 185 HA SER 498 HA SER 498 11.766 26.451 20.692 186 HB2 SER 498 1HB SER 498 10.544 28.536 20.095 187 HB3 SER 498 2HB SER 498 12.035 28.825 21.003 188 HG SER 498 HG SER 498 11.822 30.245 19.220 189 H VAL 499 H VAL 499 9.722 26.064 19.770 190 HA VAL 499 HA VAL 499 9.421 25.869 16.836 191 HB VAL 499 HB VAL 499 8.591 23.591 16.890 192 HG11 VAL 499 1HG1 VAL 499 10.660 22.354 17.072 193 HG12 VAL 499 2HG1 VAL 499 10.976 23.940 16.348 194 HG13 VAL 499 3HG1 VAL 499 11.397 23.637 18.047 195 HG21 VAL 499 3HG2 VAL 499 7.850 23.374 19.235 196 HG22 VAL 499 1HG2 VAL 499 8.938 22.068 18.777 197 HG23 VAL 499 2HG2 VAL 499 9.551 23.410 19.766 198 H LYS 500 H LYS 500 7.172 25.336 16.214 199 HA LYS 500 HA LYS 500 5.114 26.300 18.169 200 HB2 LYS 500 1HB LYS 500 5.351 27.269 15.287 201 HB3 LYS 500 2HB LYS 500 4.238 27.833 16.536 202 HG2 LYS 500 1HG LYS 500 6.304 28.613 17.847 203 HG3 LYS 500 2HG LYS 500 7.247 28.269 16.381 204 HD2 LYS 500 1HD LYS 500 5.663 29.836 15.121 205 HD3 LYS 500 2HD LYS 500 4.948 30.235 16.689 206 HE2 LYS 500 1HE LYS 500 6.497 31.939 16.506 207 HE3 LYS 500 2HE LYS 500 7.415 30.743 17.433 208 HZ1 LYS 500 3HZ LYS 500 8.470 30.057 15.317 209 HZ2 LYS 500 1HZ LYS 500 8.715 31.651 15.583 210 HZ3 LYS 500 2HZ LYS 500 7.605 31.174 14.489 211 H GLN 501 H GLN 501 2.921 25.813 17.549 212 HA GLN 501 HA GLN 501 2.487 23.146 16.671 213 HB2 GLN 501 1HB GLN 501 1.127 24.369 18.301 214 HB3 GLN 501 2HB GLN 501 0.560 25.473 17.043 215 HG2 GLN 501 1HG GLN 501 -0.713 23.708 15.971 216 HG3 GLN 501 2HG GLN 501 0.068 22.470 16.954 217 HE21 GLN 501 2HE2 GLN 501 -0.932 21.927 18.918 218 HE22 GLN 501 1HE2 GLN 501 -2.314 22.818 19.568 219 H ARG 502 H ARG 502 3.033 25.847 14.705 220 HA ARG 502 HA ARG 502 1.835 24.526 12.301 221 HB2 ARG 502 1HB ARG 502 1.879 27.503 12.958 222 HB3 ARG 502 2HB ARG 502 1.390 26.809 11.402 223 HG2 ARG 502 1HG ARG 502 -0.409 25.522 12.525 224 HG3 ARG 502 2HG ARG 502 0.016 26.285 14.072 225 HD2 ARG 502 1HD ARG 502 -0.465 28.504 13.128 226 HD3 ARG 502 2HD ARG 502 -0.878 27.762 11.567 227 HE ARG 502 HE ARG 502 -2.491 26.476 13.468 228 HH11 ARG 502 1HH1 ARG 502 -2.189 29.779 12.322 229 HH12 ARG 502 2HH1 ARG 502 -3.858 30.147 12.685 230 HH21 ARG 502 1HH2 ARG 502 -4.594 27.010 13.900 231 HH22 ARG 502 2HH2 ARG 502 -5.179 28.616 13.551 232 H ASP 503 H ASP 503 4.522 24.277 13.455 233 HA ASP 503 HA ASP 503 6.089 25.244 11.088 234 HB2 ASP 503 1HB ASP 503 6.566 26.337 13.322 235 HB3 ASP 503 2HB ASP 503 7.117 24.765 13.906 236 H VAL 504 H VAL 504 7.503 23.785 10.144 237 HA VAL 504 HA VAL 504 7.321 20.934 10.954 238 HB VAL 504 HB VAL 504 5.530 21.239 9.392 239 HG11 VAL 504 1HG1 VAL 504 6.314 23.192 8.073 240 HG12 VAL 504 2HG1 VAL 504 7.522 22.157 7.280 241 HG13 VAL 504 3HG1 VAL 504 5.797 21.843 7.057 242 HG21 VAL 504 3HG2 VAL 504 7.817 19.750 8.052 243 HG22 VAL 504 1HG2 VAL 504 6.763 19.107 9.326 244 HG23 VAL 504 2HG2 VAL 504 6.086 19.522 7.755 245 H LEU 505 H LEU 505 9.200 20.000 11.016 246 HA LEU 505 HA LEU 505 11.542 21.406 9.777 247 HB2 LEU 505 1HB LEU 505 11.472 20.004 12.475 248 HB3 LEU 505 2HB LEU 505 12.797 20.880 11.734 249 HG LEU 505 HG LEU 505 12.160 22.309 13.337 250 HD11 LEU 505 1HD1 LEU 505 12.098 23.330 10.965 251 HD12 LEU 505 2HD1 LEU 505 11.475 24.289 12.325 252 HD13 LEU 505 3HD1 LEU 505 10.358 23.479 11.225 253 HD21 LEU 505 3HD2 LEU 505 9.207 21.927 12.748 254 HD22 LEU 505 1HD2 LEU 505 9.920 22.971 13.989 255 HD23 LEU 505 2HD2 LEU 505 10.115 21.215 14.095 256 H GLU 506 H GLU 506 13.502 20.156 9.552 257 HA GLU 506 HA GLU 506 12.911 17.467 8.425 258 HB2 GLU 506 1HB GLU 506 13.950 19.283 7.022 259 HB3 GLU 506 2HB GLU 506 15.352 19.254 8.097 260 HG2 GLU 506 1HG GLU 506 15.601 16.776 7.511 261 HG3 GLU 506 2HG GLU 506 14.330 17.008 6.305 262 H VAL 507 H VAL 507 13.496 15.690 9.492 263 HA VAL 507 HA VAL 507 14.886 15.868 12.047 264 HB VAL 507 HB VAL 507 14.029 13.396 10.494 265 HG11 VAL 507 1HG1 VAL 507 14.741 13.811 13.442 266 HG12 VAL 507 2HG1 VAL 507 14.049 12.327 12.764 267 HG13 VAL 507 3HG1 VAL 507 15.658 12.842 12.267 268 HG21 VAL 507 3HG2 VAL 507 12.069 13.392 12.008 269 HG22 VAL 507 1HG2 VAL 507 12.575 14.960 12.673 270 HG23 VAL 507 2HG2 VAL 507 12.074 14.816 10.973 271 H LEU 508 H LEU 508 16.937 15.534 12.498 272 HA LEU 508 HA LEU 508 18.838 14.639 10.349 273 HB2 LEU 508 1HB LEU 508 19.290 16.458 12.747 274 HB3 LEU 508 2HB LEU 508 20.484 16.021 11.531 275 HG LEU 508 HG LEU 508 17.975 17.693 11.041 276 HD11 LEU 508 1HD1 LEU 508 20.913 18.320 11.439 277 HD12 LEU 508 2HD1 LEU 508 19.491 18.990 12.281 278 HD13 LEU 508 3HD1 LEU 508 19.841 19.424 10.594 279 HD21 LEU 508 3HD2 LEU 508 18.581 16.432 9.005 280 HD22 LEU 508 1HD2 LEU 508 20.263 16.992 9.144 281 HD23 LEU 508 2HD2 LEU 508 18.946 18.144 8.824 282 H ASP 509 H ASP 509 17.961 14.257 13.778 283 HA ASP 509 HA ASP 509 19.214 11.628 13.785 284 HB2 ASP 509 1HB ASP 509 21.100 13.093 14.506 285 HB3 ASP 509 2HB ASP 509 20.112 13.732 15.810 286 H ASP 510 H ASP 510 18.397 10.274 15.305 287 HA ASP 510 HA ASP 510 16.205 11.149 17.115 288 HB2 ASP 510 1HB ASP 510 14.791 9.305 16.206 289 HB3 ASP 510 2HB ASP 510 15.105 10.604 15.072 290 H SER 511 H SER 511 19.052 10.103 17.424 291 HA SER 511 HA SER 511 19.113 7.435 18.329 292 HB2 SER 511 1HB SER 511 21.242 8.011 19.345 293 HB3 SER 511 2HB SER 511 21.105 8.721 17.731 294 HG SER 511 HG SER 511 20.863 10.704 18.570 295 H ARG 512 H ARG 512 17.943 10.217 20.055 296 HA ARG 512 HA ARG 512 17.180 8.585 22.413 297 HB2 ARG 512 1HB ARG 512 18.472 11.358 22.584 298 HB3 ARG 512 2HB ARG 512 17.904 10.370 23.931 299 HG2 ARG 512 1HG ARG 512 19.679 8.662 23.345 300 HG3 ARG 512 2HG ARG 512 20.308 9.826 22.155 301 HD2 ARG 512 1HD ARG 512 20.472 11.523 24.023 302 HD3 ARG 512 2HD ARG 512 20.049 10.230 25.162 303 HE ARG 512 HE ARG 512 22.261 9.377 23.562 304 HH11 ARG 512 1HH1 ARG 512 21.623 11.677 26.135 305 HH12 ARG 512 2HH1 ARG 512 23.289 11.696 26.655 306 HH21 ARG 512 1HH2 ARG 512 24.369 9.464 24.266 307 HH22 ARG 512 2HH2 ARG 512 24.797 10.473 25.620 308 H LYS 513 H LYS 513 15.652 9.953 23.825 309 HA LYS 513 HA LYS 513 13.406 10.840 22.380 310 HB2 LYS 513 1HB LYS 513 12.492 11.683 24.416 311 HB3 LYS 513 2HB LYS 513 13.242 10.132 24.707 312 HG2 LYS 513 1HG LYS 513 14.681 12.744 25.369 313 HG3 LYS 513 2HG LYS 513 13.437 12.081 26.416 314 HD2 LYS 513 1HD LYS 513 14.727 9.935 26.574 315 HD3 LYS 513 2HD LYS 513 16.064 10.720 25.697 316 HE2 LYS 513 1HE LYS 513 16.271 12.420 27.435 317 HE3 LYS 513 2HE LYS 513 14.820 11.823 28.250 318 HZ1 LYS 513 3HZ LYS 513 17.341 10.271 27.955 319 HZ2 LYS 513 1HZ LYS 513 15.988 9.743 28.709 320 HZ3 LYS 513 2HZ LYS 513 16.828 10.994 29.327 321 H TRP 514 H TRP 514 16.211 12.785 23.188 322 HA TRP 514 HA TRP 514 14.950 15.272 22.208 323 HB2 TRP 514 1HB TRP 514 17.811 14.637 22.976 324 HB3 TRP 514 2HB TRP 514 17.224 16.198 22.433 325 HD1 TRP 514 HD1 TRP 514 17.162 13.915 25.471 326 HE1 TRP 514 HE1 TRP 514 16.232 15.194 27.501 327 HE3 TRP 514 HE3 TRP 514 15.704 18.224 23.117 328 HZ2 TRP 514 HZ2 TRP 514 14.955 17.738 28.016 329 HZ3 TRP 514 HZ3 TRP 514 14.651 20.071 24.403 330 HH2 TRP 514 HH2 TRP 514 14.258 19.834 26.844 331 H TRP 515 H TRP 515 14.294 14.847 20.125 332 HA TRP 515 HA TRP 515 16.100 13.757 18.077 333 HB2 TRP 515 1HB TRP 515 13.353 15.048 18.002 334 HB3 TRP 515 2HB TRP 515 14.264 14.676 16.546 335 HD1 TRP 515 HD1 TRP 515 14.421 12.165 19.370 336 HE1 TRP 515 HE1 TRP 515 13.289 9.990 18.692 337 HE3 TRP 515 HE3 TRP 515 12.237 13.764 15.023 338 HZ2 TRP 515 HZ2 TRP 515 11.577 9.061 16.545 339 HZ3 TRP 515 HZ3 TRP 515 10.859 12.189 13.674 340 HH2 TRP 515 HH2 TRP 515 10.523 9.851 14.420 341 H LYS 516 H LYS 516 17.157 14.861 16.524 342 HA LYS 516 HA LYS 516 17.669 17.796 16.942 343 HB2 LYS 516 1HB LYS 516 19.599 16.124 16.959 344 HB3 LYS 516 2HB LYS 516 19.220 15.787 15.269 345 HG2 LYS 516 1HG LYS 516 19.563 18.248 14.777 346 HG3 LYS 516 2HG LYS 516 20.091 18.463 16.455 347 HD2 LYS 516 1HD LYS 516 21.983 16.931 16.092 348 HD3 LYS 516 2HD LYS 516 21.345 16.476 14.508 349 HE2 LYS 516 1HE LYS 516 23.062 17.969 13.985 350 HE3 LYS 516 2HE LYS 516 21.579 18.897 13.790 351 HZ1 LYS 516 3HZ LYS 516 23.467 19.043 16.083 352 HZ2 LYS 516 1HZ LYS 516 22.032 19.840 16.052 353 HZ3 LYS 516 2HZ LYS 516 23.189 20.190 14.937 354 H VAL 517 H VAL 517 16.968 19.201 15.476 355 HA VAL 517 HA VAL 517 16.081 18.306 12.759 356 HB VAL 517 HB VAL 517 14.086 19.543 12.878 357 HG11 VAL 517 1HG1 VAL 517 12.710 18.155 14.309 358 HG12 VAL 517 2HG1 VAL 517 13.983 17.176 13.568 359 HG13 VAL 517 3HG1 VAL 517 14.115 17.668 15.270 360 HG21 VAL 517 3HG2 VAL 517 14.653 20.105 15.821 361 HG22 VAL 517 1HG2 VAL 517 14.612 21.308 14.512 362 HG23 VAL 517 2HG2 VAL 517 13.134 20.459 14.985 363 H ARG 518 H ARG 518 15.755 20.056 11.274 364 HA ARG 518 HA ARG 518 17.388 22.512 11.837 365 HB2 ARG 518 1HB ARG 518 18.662 21.143 10.502 366 HB3 ARG 518 2HB ARG 518 17.343 20.704 9.412 367 HG2 ARG 518 1HG ARG 518 17.486 22.713 8.230 368 HG3 ARG 518 2HG ARG 518 18.185 23.598 9.584 369 HD2 ARG 518 1HD ARG 518 19.848 23.238 7.824 370 HD3 ARG 518 2HD ARG 518 20.315 22.459 9.344 371 HE ARG 518 HE ARG 518 18.904 20.583 7.698 372 HH11 ARG 518 1HH1 ARG 518 22.070 22.067 7.920 373 HH12 ARG 518 2HH1 ARG 518 22.839 20.773 7.037 374 HH21 ARG 518 1HH2 ARG 518 19.932 18.986 6.548 375 HH22 ARG 518 2HH2 ARG 518 21.655 19.072 6.295 376 H ASP 519 H ASP 519 16.377 24.239 11.795 377 HA ASP 519 HA ASP 519 13.678 24.666 10.815 378 HB2 ASP 519 1HB ASP 519 14.129 26.978 11.724 379 HB3 ASP 519 2HB ASP 519 14.339 25.665 12.875 380 HA PRO 520 HA PRO 520 14.534 26.367 6.858 381 HB2 PRO 520 1HB PRO 520 12.619 28.316 6.526 382 HB3 PRO 520 2HB PRO 520 12.280 26.562 6.569 383 HG2 PRO 520 1HG PRO 520 12.078 28.535 8.865 384 HG3 PRO 520 2HG PRO 520 10.846 27.349 8.317 385 HD2 PRO 520 1HD PRO 520 12.494 26.780 10.363 386 HD3 PRO 520 2HD PRO 520 12.100 25.524 9.158 387 H ALA 521 H ALA 521 15.115 28.405 9.587 388 HA ALA 521 HA ALA 521 16.164 30.690 8.071 389 HB1 ALA 521 1HB ALA 521 15.258 30.881 10.422 390 HB2 ALA 521 2HB ALA 521 16.680 29.963 10.983 391 HB3 ALA 521 3HB ALA 521 16.898 31.527 10.205 392 H GLY 522 H GLY 522 17.312 27.546 8.997 393 HA2 GLY 522 1HA GLY 522 19.173 26.576 7.850 394 HA3 GLY 522 2HA GLY 522 19.990 28.139 7.822 395 H GLN 523 H GLN 523 18.556 27.468 10.881 396 HA GLN 523 HA GLN 523 21.213 26.853 12.073 397 HB2 GLN 523 1HB GLN 523 18.690 27.585 13.582 398 HB3 GLN 523 2HB GLN 523 20.359 27.620 14.128 399 HG2 GLN 523 1HG GLN 523 20.705 29.448 12.296 400 HG3 GLN 523 2HG GLN 523 18.957 29.515 12.195 401 HE21 GLN 523 2HE2 GLN 523 20.543 31.755 12.951 402 HE22 GLN 523 1HE2 GLN 523 20.168 32.117 14.631 403 H GLU 524 H GLU 524 20.569 25.496 14.326 404 HA GLU 524 HA GLU 524 18.874 23.153 13.697 405 HB2 GLU 524 1HB GLU 524 21.798 22.937 14.484 406 HB3 GLU 524 2HB GLU 524 20.666 21.586 14.413 407 HG2 GLU 524 1HG GLU 524 20.467 21.815 11.977 408 HG3 GLU 524 2HG GLU 524 21.525 23.233 11.996 409 H GLY 525 H GLY 525 18.287 21.941 15.638 410 HA2 GLY 525 1HA GLY 525 19.503 22.560 18.188 411 HA3 GLY 525 2HA GLY 525 17.892 23.262 18.057 412 H TYR 526 H TYR 526 18.436 21.508 20.005 413 HA TYR 526 HA TYR 526 17.207 18.896 19.267 414 HB2 TYR 526 1HB TYR 526 18.649 19.912 21.739 415 HB3 TYR 526 2HB TYR 526 17.814 18.369 21.672 416 HD1 TYR 526 HD2 TYR 526 18.546 16.566 20.101 417 HD2 TYR 526 HD1 TYR 526 20.848 20.169 20.688 418 HE1 TYR 526 HE2 TYR 526 20.536 15.446 19.130 419 HE2 TYR 526 HE1 TYR 526 22.841 19.049 19.690 420 HH TYR 526 HH TYR 526 22.744 15.648 18.578 421 H VAL 527 H VAL 527 15.281 18.218 20.020 422 HA VAL 527 HA VAL 527 13.707 19.710 22.019 423 HB VAL 527 HB VAL 527 11.687 19.637 20.452 424 HG11 VAL 527 1HG1 VAL 527 12.055 21.829 19.573 425 HG12 VAL 527 2HG1 VAL 527 12.838 21.732 21.157 426 HG13 VAL 527 3HG1 VAL 527 13.815 21.653 19.677 427 HG21 VAL 527 3HG2 VAL 527 13.776 19.628 18.238 428 HG22 VAL 527 1HG2 VAL 527 12.698 18.276 18.626 429 HG23 VAL 527 2HG2 VAL 527 12.022 19.815 18.063 430 HA PRO 528 HA PRO 528 12.463 15.577 22.916 431 HB2 PRO 528 1HB PRO 528 10.020 15.861 24.149 432 HB3 PRO 528 2HB PRO 528 11.576 16.329 24.893 433 HG2 PRO 528 1HG PRO 528 9.581 18.114 23.471 434 HG3 PRO 528 2HG PRO 528 10.417 18.405 25.024 435 HD2 PRO 528 1HD PRO 528 11.280 19.474 22.670 436 HD3 PRO 528 2HD PRO 528 12.422 18.965 23.947 437 H TYR 529 H TYR 529 11.608 13.917 21.708 438 HA TYR 529 HA TYR 529 10.049 14.346 19.396 439 HB2 TYR 529 1HB TYR 529 10.171 12.103 19.021 440 HB3 TYR 529 2HB TYR 529 11.563 12.358 20.049 441 HD1 TYR 529 HD1 TYR 529 11.136 11.989 22.659 442 HD2 TYR 529 HD2 TYR 529 8.642 10.379 19.536 443 HE1 TYR 529 HE1 TYR 529 10.297 10.257 24.236 444 HE2 TYR 529 HE2 TYR 529 7.787 8.654 21.115 445 HH TYR 529 HH TYR 529 8.926 8.450 24.504 446 H ASN 530 H ASN 530 8.887 14.079 22.669 447 HA ASN 530 HA ASN 530 6.314 13.024 22.253 448 HB2 ASN 530 1HB ASN 530 7.452 13.304 24.446 449 HB3 ASN 530 2HB ASN 530 7.282 15.056 24.322 450 HD21 ASN 530 2HD2 ASN 530 5.458 15.911 25.309 451 HD22 ASN 530 1HD2 ASN 530 4.024 14.968 25.684 452 H ILE 531 H ILE 531 7.448 16.397 21.812 453 HA ILE 531 HA ILE 531 4.701 17.346 21.239 454 HB ILE 531 HB ILE 531 5.660 19.536 20.928 455 HG12 ILE 531 1HG1 ILE 531 8.373 18.290 21.472 456 HG13 ILE 531 2HG1 ILE 531 7.835 18.900 19.906 457 HG21 ILE 531 1HG2 ILE 531 6.259 19.958 23.231 458 HG22 ILE 531 2HG2 ILE 531 5.054 18.671 23.201 459 HG23 ILE 531 3HG2 ILE 531 6.765 18.272 23.473 460 HD11 ILE 531 3HD1 ILE 531 8.389 20.485 22.423 461 HD12 ILE 531 1HD1 ILE 531 9.260 20.540 20.886 462 HD13 ILE 531 2HD1 ILE 531 7.600 21.173 20.974 463 H LEU 532 H LEU 532 7.251 15.952 19.451 464 HA LEU 532 HA LEU 532 6.515 17.148 16.853 465 HB2 LEU 532 1HB LEU 532 8.352 14.808 17.528 466 HB3 LEU 532 2HB LEU 532 8.199 15.589 15.962 467 HG LEU 532 HG LEU 532 9.312 16.884 18.492 468 HD11 LEU 532 1HD1 LEU 532 10.701 16.025 15.928 469 HD12 LEU 532 2HD1 LEU 532 10.806 15.190 17.481 470 HD13 LEU 532 3HD1 LEU 532 11.454 16.826 17.313 471 HD21 LEU 532 3HD2 LEU 532 9.061 17.987 15.659 472 HD22 LEU 532 1HD2 LEU 532 9.993 18.736 16.973 473 HD23 LEU 532 2HD2 LEU 532 8.242 18.597 17.113 474 H THR 533 H THR 533 5.583 15.937 15.159 475 HA THR 533 HA THR 533 4.659 13.194 15.658 476 HB THR 533 HB THR 533 2.421 13.879 14.428 477 HG1 THR 533 HG1 THR 533 3.193 16.258 14.669 478 HG21 THR 533 3HG2 THR 533 2.723 14.411 17.400 479 HG22 THR 533 1HG2 THR 533 2.604 12.795 16.668 480 HG23 THR 533 2HG2 THR 533 1.251 13.919 16.542 481 HA PRO 534 HA PRO 534 5.952 12.726 11.456 482 HB2 PRO 534 1HB PRO 534 4.207 10.844 10.430 483 HB3 PRO 534 2HB PRO 534 5.528 10.462 11.569 484 HG2 PRO 534 1HG PRO 534 2.604 10.965 12.218 485 HG3 PRO 534 2HG PRO 534 3.643 9.617 12.777 486 HD2 PRO 534 1HD PRO 534 3.204 11.782 14.328 487 HD3 PRO 534 2HD PRO 534 4.828 11.036 14.265 488 H TYR 535 H TYR 535 5.261 13.089 9.215 489 HA TYR 535 HA TYR 535 2.802 14.768 8.969 490 HB2 TYR 535 1HB TYR 535 4.826 16.124 8.986 491 HB3 TYR 535 2HB TYR 535 5.464 15.217 7.624 492 HD1 TYR 535 HD1 TYR 535 1.984 16.617 8.276 493 HD2 TYR 535 HD2 TYR 535 5.534 16.717 5.807 494 HE1 TYR 535 HE1 TYR 535 0.852 18.154 6.722 495 HE2 TYR 535 HE2 TYR 535 4.383 18.283 4.246 496 HH TYR 535 HH TYR 535 1.009 19.350 4.776 497 HA PRO 536 HA PRO 536 2.346 11.226 6.026 498 HB2 PRO 536 1HB PRO 536 -0.175 10.459 6.702 499 HB3 PRO 536 2HB PRO 536 1.267 9.969 7.633 500 HG2 PRO 536 1HG PRO 536 -0.648 12.245 8.262 501 HG3 PRO 536 2HG PRO 536 -0.022 10.984 9.367 502 HD2 PRO 536 1HD PRO 536 1.084 13.490 9.178 503 HD3 PRO 536 2HD PRO 536 2.055 12.030 9.539 504 H ALA 537 H ALA 537 2.416 12.605 4.279 505 HA ALA 537 HA ALA 537 -0.147 13.768 3.308 506 HB1 ALA 537 1HB ALA 537 1.094 15.566 4.470 507 HB2 ALA 537 2HB ALA 537 2.531 15.228 3.482 508 HB3 ALA 537 3HB ALA 537 1.054 15.855 2.720 509 H ALA 538 H ALA 538 -0.432 13.717 1.133 510 HA ALA 538 HA ALA 538 1.423 12.004 -0.416 511 HB1 ALA 538 1HB ALA 538 -1.442 12.906 -0.939 512 HB2 ALA 538 2HB ALA 538 -0.536 11.687 -1.862 513 HB3 ALA 538 3HB ALA 538 -0.951 11.380 -0.165 514 H ALA 539 H ALA 539 0.596 15.353 -0.263 515 HA ALA 539 HA ALA 539 0.777 17.146 -1.614 516 HB1 ALA 539 1HB ALA 539 3.016 17.496 -2.524 517 HB2 ALA 539 2HB ALA 539 3.108 16.684 -0.952 518 HB3 ALA 539 3HB ALA 539 3.347 15.752 -2.447 519 H SER 540 H SER 540 -0.898 15.171 -2.784 520 HA SER 540 HA SER 540 -0.511 14.806 -5.597 521 HB2 SER 540 1HB SER 540 -2.939 14.225 -5.587 522 HB3 SER 540 2HB SER 540 -1.942 13.316 -4.442 523 HG SER 540 HG SER 540 -3.918 14.111 -3.503 Start of MODEL 18 1 H1 GLY 473 H GLY 473 11.273 0.162 -12.527 2 HA2 GLY 473 1HA GLY 473 8.773 1.365 -12.994 3 HA3 GLY 473 2HA GLY 473 8.813 0.682 -11.359 4 HA PRO 474 HA PRO 474 10.933 4.335 -10.071 5 HB2 PRO 474 1HB PRO 474 12.367 3.501 -7.879 6 HB3 PRO 474 2HB PRO 474 10.578 3.626 -7.906 7 HG2 PRO 474 1HG PRO 474 12.280 1.153 -8.367 8 HG3 PRO 474 2HG PRO 474 10.859 1.337 -7.280 9 HD2 PRO 474 1HD PRO 474 10.624 0.266 -9.763 10 HD3 PRO 474 2HD PRO 474 9.352 1.344 -9.100 11 H LEU 475 H LEU 475 12.857 5.477 -10.227 12 HA LEU 475 HA LEU 475 15.068 4.187 -11.731 13 HB2 LEU 475 1HB LEU 475 14.244 7.060 -11.170 14 HB3 LEU 475 2HB LEU 475 15.841 6.658 -11.787 15 HG LEU 475 HG LEU 475 14.838 5.534 -13.757 16 HD11 LEU 475 1HD1 LEU 475 12.476 6.099 -14.363 17 HD12 LEU 475 2HD1 LEU 475 12.219 6.692 -12.704 18 HD13 LEU 475 3HD1 LEU 475 12.587 4.976 -13.010 19 HD21 LEU 475 3HD2 LEU 475 14.011 8.431 -13.323 20 HD22 LEU 475 1HD2 LEU 475 14.224 7.630 -14.893 21 HD23 LEU 475 2HD2 LEU 475 15.614 7.869 -13.832 22 H GLY 476 H GLY 476 14.474 5.425 -8.503 23 HA2 GLY 476 1HA GLY 476 16.833 4.197 -7.436 24 HA3 GLY 476 2HA GLY 476 17.072 5.944 -7.542 25 H SER 477 H SER 477 16.814 4.106 -5.212 26 HA SER 477 HA SER 477 14.294 4.804 -3.871 27 HB2 SER 477 1HB SER 477 16.762 3.345 -2.850 28 HB3 SER 477 2HB SER 477 15.202 3.487 -2.012 29 HG SER 477 HG SER 477 15.439 1.513 -3.204 30 H GLY 478 H GLY 478 14.069 6.855 -3.166 31 HA2 GLY 478 1HA GLY 478 15.746 7.829 -1.011 32 HA3 GLY 478 2HA GLY 478 15.985 8.762 -2.489 33 H ALA 479 H ALA 479 14.535 8.991 0.306 34 HA ALA 479 HA ALA 479 12.543 10.937 -0.602 35 HB1 ALA 479 1HB ALA 479 10.725 9.926 0.770 36 HB2 ALA 479 2HB ALA 479 11.203 8.859 -0.564 37 HB3 ALA 479 3HB ALA 479 11.752 8.512 1.089 38 H LEU 480 H LEU 480 12.502 12.634 0.784 39 HA LEU 480 HA LEU 480 14.188 12.715 3.168 40 HB2 LEU 480 1HB LEU 480 12.110 14.667 2.090 41 HB3 LEU 480 2HB LEU 480 13.205 14.992 3.433 42 HG LEU 480 HG LEU 480 14.015 14.554 0.532 43 HD11 LEU 480 1HD1 LEU 480 12.985 16.741 1.030 44 HD12 LEU 480 2HD1 LEU 480 14.710 16.910 0.678 45 HD13 LEU 480 3HD1 LEU 480 14.141 16.991 2.358 46 HD21 LEU 480 3HD2 LEU 480 15.743 15.100 2.984 47 HD22 LEU 480 1HD2 LEU 480 16.298 15.203 1.300 48 HD23 LEU 480 2HD2 LEU 480 15.788 13.650 1.956 49 H LYS 481 H LYS 481 13.353 13.511 5.250 50 HA LYS 481 HA LYS 481 10.735 12.285 6.049 51 HB2 LYS 481 1HB LYS 481 13.276 12.098 7.716 52 HB3 LYS 481 2HB LYS 481 11.704 11.320 8.005 53 HG2 LYS 481 1HG LYS 481 12.098 10.037 5.804 54 HG3 LYS 481 2HG LYS 481 13.756 10.699 5.831 55 HD2 LYS 481 1HD LYS 481 13.885 9.696 8.239 56 HD3 LYS 481 2HD LYS 481 12.454 8.759 7.779 57 HE2 LYS 481 1HE LYS 481 15.210 8.750 6.456 58 HE3 LYS 481 2HE LYS 481 14.495 7.458 7.425 59 HZ1 LYS 481 3HZ LYS 481 13.524 8.354 4.759 60 HZ2 LYS 481 1HZ LYS 481 12.793 7.202 5.670 61 HZ3 LYS 481 2HZ LYS 481 14.296 6.958 5.084 62 H TRP 482 H TRP 482 9.494 13.603 7.152 63 HA TRP 482 HA TRP 482 10.600 16.058 8.459 64 HB2 TRP 482 1HB TRP 482 8.257 15.908 6.525 65 HB3 TRP 482 2HB TRP 482 8.679 17.307 7.494 66 HD1 TRP 482 HD1 TRP 482 10.085 15.227 4.578 67 HE1 TRP 482 HE1 TRP 482 11.517 16.739 3.075 68 HE3 TRP 482 HE3 TRP 482 10.022 19.490 7.413 69 HZ2 TRP 482 HZ2 TRP 482 12.506 19.443 3.099 70 HZ3 TRP 482 HZ3 TRP 482 11.179 21.543 6.627 71 HH2 TRP 482 HH2 TRP 482 12.427 21.530 4.475 72 H VAL 483 H VAL 483 9.353 16.932 10.095 73 HA VAL 483 HA VAL 483 7.187 15.220 11.247 74 HB VAL 483 HB VAL 483 8.232 15.750 13.519 75 HG11 VAL 483 1HG1 VAL 483 9.585 13.743 13.469 76 HG12 VAL 483 2HG1 VAL 483 8.122 13.500 12.501 77 HG13 VAL 483 3HG1 VAL 483 9.681 13.792 11.689 78 HG21 VAL 483 3HG2 VAL 483 10.724 15.843 13.600 79 HG22 VAL 483 1HG2 VAL 483 10.765 16.036 11.792 80 HG23 VAL 483 2HG2 VAL 483 10.024 17.339 12.834 81 H LEU 484 H LEU 484 5.441 16.384 11.242 82 HA LEU 484 HA LEU 484 5.447 19.298 11.501 83 HB2 LEU 484 1HB LEU 484 3.692 17.806 10.231 84 HB3 LEU 484 2HB LEU 484 3.066 17.430 11.834 85 HG LEU 484 HG LEU 484 2.943 20.029 12.166 86 HD11 LEU 484 1HD1 LEU 484 4.337 20.571 10.119 87 HD12 LEU 484 2HD1 LEU 484 2.715 21.374 10.153 88 HD13 LEU 484 3HD1 LEU 484 2.984 19.907 9.109 89 HD21 LEU 484 3HD2 LEU 484 0.947 18.641 11.913 90 HD22 LEU 484 1HD2 LEU 484 1.133 18.647 10.142 91 HD23 LEU 484 2HD2 LEU 484 0.761 20.156 11.013 92 H CYS 485 H CYS 485 5.213 20.445 13.404 93 HA CYS 485 HA CYS 485 5.450 19.046 15.949 94 HB2 CYS 485 1HB CYS 485 6.396 21.370 15.180 95 HB3 CYS 485 2HB CYS 485 4.773 21.958 15.516 96 HG CYS 485 HG CYS 485 6.943 20.406 17.504 97 H ASN 486 H ASN 486 3.913 19.155 17.726 98 HA ASN 486 HA ASN 486 1.053 19.585 16.931 99 HB2 ASN 486 1HB ASN 486 2.099 17.229 17.651 100 HB3 ASN 486 2HB ASN 486 1.864 17.857 19.257 101 HD21 ASN 486 2HD2 ASN 486 -0.577 19.114 19.229 102 HD22 ASN 486 1HD2 ASN 486 -1.817 17.975 18.711 103 H TYR 487 H TYR 487 3.549 20.736 19.064 104 HA TYR 487 HA TYR 487 1.679 22.569 20.437 105 HB2 TYR 487 1HB TYR 487 3.510 20.649 21.949 106 HB3 TYR 487 2HB TYR 487 2.552 21.934 22.660 107 HD1 TYR 487 HD2 TYR 487 0.021 21.797 22.618 108 HD2 TYR 487 HD1 TYR 487 2.552 18.502 21.425 109 HE1 TYR 487 HE2 TYR 487 -1.919 20.235 22.795 110 HE2 TYR 487 HE1 TYR 487 0.612 16.951 21.597 111 HH TYR 487 HH TYR 487 -1.618 16.746 22.067 112 H ASP 488 H ASP 488 2.651 24.532 20.842 113 HA ASP 488 HA ASP 488 5.276 25.119 19.853 114 HB2 ASP 488 1HB ASP 488 4.938 27.312 20.649 115 HB3 ASP 488 2HB ASP 488 3.374 26.752 20.067 116 H PHE 489 H PHE 489 7.175 25.761 20.924 117 HA PHE 489 HA PHE 489 7.537 25.237 23.812 118 HB2 PHE 489 1HB PHE 489 7.805 23.018 22.879 119 HB3 PHE 489 2HB PHE 489 8.827 23.615 21.590 120 HD1 PHE 489 HD2 PHE 489 8.686 23.010 25.273 121 HD2 PHE 489 HD1 PHE 489 11.200 23.722 21.836 122 HE1 PHE 489 HE2 PHE 489 10.700 22.450 26.622 123 HE2 PHE 489 HE1 PHE 489 13.191 23.103 23.164 124 HZ PHE 489 HZ PHE 489 12.957 22.497 25.568 125 H GLN 490 H GLN 490 9.116 26.534 24.652 126 HA GLN 490 HA GLN 490 10.949 27.960 22.786 127 HB2 GLN 490 1HB GLN 490 9.154 29.461 23.539 128 HB3 GLN 490 2HB GLN 490 9.591 29.142 25.233 129 HG2 GLN 490 1HG GLN 490 11.901 30.007 24.761 130 HG3 GLN 490 2HG GLN 490 11.414 30.373 23.101 131 HE21 GLN 490 2HE2 GLN 490 12.160 31.979 25.784 132 HE22 GLN 490 1HE2 GLN 490 10.956 33.256 25.746 133 H ALA 491 H ALA 491 12.846 27.168 23.065 134 HA ALA 491 HA ALA 491 13.925 26.196 25.657 135 HB1 ALA 491 1HB ALA 491 14.468 24.720 24.030 136 HB2 ALA 491 2HB ALA 491 14.559 25.943 22.735 137 HB3 ALA 491 3HB ALA 491 15.855 25.817 23.939 138 H ARG 492 H ARG 492 15.505 28.014 23.074 139 HA ARG 492 HA ARG 492 17.340 29.361 23.147 140 HB2 ARG 492 1HB ARG 492 15.391 31.135 24.684 141 HB3 ARG 492 2HB ARG 492 16.830 31.659 23.787 142 HG2 ARG 492 1HG ARG 492 15.697 30.361 21.773 143 HG3 ARG 492 2HG ARG 492 14.208 30.579 22.701 144 HD2 ARG 492 1HD ARG 492 16.110 32.835 21.881 145 HD3 ARG 492 2HD ARG 492 14.724 32.295 20.911 146 HE ARG 492 HE ARG 492 13.774 32.941 23.530 147 HH11 ARG 492 1HH1 ARG 492 15.064 34.600 20.713 148 HH12 ARG 492 2HH1 ARG 492 14.125 36.041 21.011 149 HH21 ARG 492 1HH2 ARG 492 12.582 34.819 23.832 150 HH22 ARG 492 2HH2 ARG 492 12.767 36.153 22.728 151 H ASN 493 H ASN 493 17.769 27.387 25.002 152 HA ASN 493 HA ASN 493 18.805 28.776 27.427 153 HB2 ASN 493 1HB ASN 493 17.089 27.155 27.873 154 HB3 ASN 493 2HB ASN 493 17.900 25.929 26.912 155 HD21 ASN 493 2HD2 ASN 493 18.888 24.415 28.170 156 HD22 ASN 493 1HD2 ASN 493 19.646 24.757 29.731 157 H SER 494 H SER 494 19.827 25.725 25.814 158 HA SER 494 HA SER 494 22.504 26.709 25.170 159 HB2 SER 494 1HB SER 494 22.757 26.371 27.599 160 HB3 SER 494 2HB SER 494 22.132 24.719 27.453 161 HG SER 494 HG SER 494 24.438 24.807 27.485 162 H SER 495 H SER 495 22.816 25.744 23.249 163 HA SER 495 HA SER 495 22.731 24.333 21.486 164 HB2 SER 495 1HB SER 495 22.659 22.031 23.462 165 HB3 SER 495 2HB SER 495 23.195 21.992 21.775 166 HG SER 495 HG SER 495 24.382 23.487 23.887 167 H GLU 496 H GLU 496 20.092 25.077 22.892 168 HA GLU 496 HA GLU 496 18.263 23.027 21.681 169 HB2 GLU 496 1HB GLU 496 17.824 24.938 24.015 170 HB3 GLU 496 2HB GLU 496 16.607 23.863 23.286 171 HG2 GLU 496 1HG GLU 496 17.541 21.948 24.111 172 HG3 GLU 496 2HG GLU 496 19.105 22.686 24.464 173 H LEU 497 H LEU 497 16.160 23.946 20.919 174 HA LEU 497 HA LEU 497 16.271 26.752 19.938 175 HB2 LEU 497 1HB LEU 497 17.362 25.127 18.269 176 HB3 LEU 497 2HB LEU 497 15.783 24.363 18.112 177 HG LEU 497 HG LEU 497 15.114 26.994 17.693 178 HD11 LEU 497 1HD1 LEU 497 17.679 26.887 16.105 179 HD12 LEU 497 2HD1 LEU 497 17.752 27.404 17.858 180 HD13 LEU 497 3HD1 LEU 497 16.694 28.309 16.687 181 HD21 LEU 497 3HD2 LEU 497 15.151 26.494 15.303 182 HD22 LEU 497 1HD2 LEU 497 14.497 25.147 16.246 183 HD23 LEU 497 2HD2 LEU 497 16.153 25.058 15.618 184 H SER 498 H SER 498 14.265 27.699 19.706 185 HA SER 498 HA SER 498 11.901 26.408 20.802 186 HB2 SER 498 1HB SER 498 10.789 28.528 20.151 187 HB3 SER 498 2HB SER 498 12.250 28.782 21.109 188 HG SER 498 HG SER 498 11.977 29.103 18.286 189 H VAL 499 H VAL 499 9.909 26.046 19.726 190 HA VAL 499 HA VAL 499 9.851 25.893 16.767 191 HB VAL 499 HB VAL 499 8.890 23.636 16.760 192 HG11 VAL 499 1HG1 VAL 499 11.689 23.681 17.951 193 HG12 VAL 499 2HG1 VAL 499 10.958 22.361 17.027 194 HG13 VAL 499 3HG1 VAL 499 11.280 23.919 16.245 195 HG21 VAL 499 3HG2 VAL 499 8.153 23.477 19.145 196 HG22 VAL 499 1HG2 VAL 499 9.121 22.098 18.621 197 HG23 VAL 499 2HG2 VAL 499 9.862 23.353 19.625 198 H LYS 500 H LYS 500 7.664 25.447 15.944 199 HA LYS 500 HA LYS 500 5.452 26.471 17.718 200 HB2 LYS 500 1HB LYS 500 5.964 27.128 14.785 201 HB3 LYS 500 2HB LYS 500 4.597 27.694 15.715 202 HG2 LYS 500 1HG LYS 500 7.460 28.448 16.448 203 HG3 LYS 500 2HG LYS 500 6.546 29.267 15.188 204 HD2 LYS 500 1HD LYS 500 6.090 30.669 16.935 205 HD3 LYS 500 2HD LYS 500 4.687 29.612 16.976 206 HE2 LYS 500 1HE LYS 500 5.319 29.828 19.222 207 HE3 LYS 500 2HE LYS 500 5.950 28.234 18.769 208 HZ1 LYS 500 3HZ LYS 500 7.539 30.758 18.865 209 HZ2 LYS 500 1HZ LYS 500 8.147 29.278 18.483 210 HZ3 LYS 500 2HZ LYS 500 7.589 29.577 19.998 211 H GLN 501 H GLN 501 3.374 25.795 17.103 212 HA GLN 501 HA GLN 501 3.165 23.053 16.370 213 HB2 GLN 501 1HB GLN 501 1.655 24.351 17.860 214 HB3 GLN 501 2HB GLN 501 0.938 25.134 16.452 215 HG2 GLN 501 1HG GLN 501 1.048 22.100 16.678 216 HG3 GLN 501 2HG GLN 501 -0.152 22.995 17.598 217 HE21 GLN 501 2HE2 GLN 501 -0.078 21.128 14.991 218 HE22 GLN 501 1HE2 GLN 501 -1.264 21.952 13.998 219 H ARG 502 H ARG 502 3.225 25.847 14.323 220 HA ARG 502 HA ARG 502 2.275 24.256 11.961 221 HB2 ARG 502 1HB ARG 502 2.205 27.284 12.244 222 HB3 ARG 502 2HB ARG 502 1.475 26.275 10.979 223 HG2 ARG 502 1HG ARG 502 0.157 25.158 12.976 224 HG3 ARG 502 2HG ARG 502 0.638 26.609 13.878 225 HD2 ARG 502 1HD ARG 502 -1.493 27.145 13.043 226 HD3 ARG 502 2HD ARG 502 -0.385 27.973 11.945 227 HE ARG 502 HE ARG 502 -1.081 26.585 10.201 228 HH11 ARG 502 1HH1 ARG 502 -2.224 25.089 13.182 229 HH12 ARG 502 2HH1 ARG 502 -3.269 23.991 12.319 230 HH21 ARG 502 1HH2 ARG 502 -2.359 25.084 9.191 231 HH22 ARG 502 2HH2 ARG 502 -3.301 23.959 10.127 232 H ASP 503 H ASP 503 5.040 24.581 13.186 233 HA ASP 503 HA ASP 503 6.544 25.631 10.831 234 HB2 ASP 503 1HB ASP 503 7.093 26.475 13.072 235 HB3 ASP 503 2HB ASP 503 7.480 24.831 13.618 236 H VAL 504 H VAL 504 6.933 24.170 9.297 237 HA VAL 504 HA VAL 504 6.943 21.268 9.774 238 HB VAL 504 HB VAL 504 7.683 22.727 7.215 239 HG11 VAL 504 1HG1 VAL 504 7.604 20.706 6.164 240 HG12 VAL 504 2HG1 VAL 504 7.918 20.045 7.787 241 HG13 VAL 504 3HG1 VAL 504 6.261 20.090 7.168 242 HG21 VAL 504 3HG2 VAL 504 4.909 21.844 8.098 243 HG22 VAL 504 1HG2 VAL 504 5.436 23.508 7.795 244 HG23 VAL 504 2HG2 VAL 504 5.349 22.360 6.461 245 H LEU 505 H LEU 505 8.726 20.195 10.429 246 HA LEU 505 HA LEU 505 11.439 21.432 10.066 247 HB2 LEU 505 1HB LEU 505 10.245 19.826 12.359 248 HB3 LEU 505 2HB LEU 505 11.921 20.355 12.275 249 HG LEU 505 HG LEU 505 9.571 22.299 12.279 250 HD11 LEU 505 1HD1 LEU 505 11.337 21.574 14.629 251 HD12 LEU 505 2HD1 LEU 505 9.706 20.908 14.376 252 HD13 LEU 505 3HD1 LEU 505 9.924 22.652 14.598 253 HD21 LEU 505 3HD2 LEU 505 11.340 23.910 13.001 254 HD22 LEU 505 1HD2 LEU 505 11.589 23.286 11.367 255 HD23 LEU 505 2HD2 LEU 505 12.565 22.657 12.718 256 H GLU 506 H GLU 506 13.185 20.123 9.610 257 HA GLU 506 HA GLU 506 12.511 17.411 8.536 258 HB2 GLU 506 1HB GLU 506 13.480 19.195 7.008 259 HB3 GLU 506 2HB GLU 506 14.985 19.077 7.949 260 HG2 GLU 506 1HG GLU 506 14.911 16.549 7.446 261 HG3 GLU 506 2HG GLU 506 13.592 16.908 6.314 262 H VAL 507 H VAL 507 13.052 15.726 9.755 263 HA VAL 507 HA VAL 507 14.798 15.929 12.057 264 HB VAL 507 HB VAL 507 12.865 14.491 12.089 265 HG11 VAL 507 1HG1 VAL 507 13.179 13.689 9.601 266 HG12 VAL 507 2HG1 VAL 507 14.185 12.402 10.343 267 HG13 VAL 507 3HG1 VAL 507 12.456 12.597 10.830 268 HG21 VAL 507 3HG2 VAL 507 14.759 13.958 13.576 269 HG22 VAL 507 1HG2 VAL 507 13.884 12.495 13.080 270 HG23 VAL 507 2HG2 VAL 507 15.438 12.874 12.341 271 H LEU 508 H LEU 508 16.792 15.373 12.377 272 HA LEU 508 HA LEU 508 18.491 14.432 10.083 273 HB2 LEU 508 1HB LEU 508 19.226 16.277 12.381 274 HB3 LEU 508 2HB LEU 508 20.228 15.873 10.987 275 HG LEU 508 HG LEU 508 17.652 17.511 10.889 276 HD11 LEU 508 1HD1 LEU 508 19.393 18.644 12.113 277 HD12 LEU 508 2HD1 LEU 508 19.229 19.397 10.530 278 HD13 LEU 508 3HD1 LEU 508 20.585 18.304 10.831 279 HD21 LEU 508 3HD2 LEU 508 18.112 16.371 8.736 280 HD22 LEU 508 1HD2 LEU 508 19.768 17.019 8.746 281 HD23 LEU 508 2HD2 LEU 508 18.367 18.114 8.615 282 H ASP 509 H ASP 509 17.851 14.209 13.574 283 HA ASP 509 HA ASP 509 19.200 11.601 13.654 284 HB2 ASP 509 1HB ASP 509 21.012 13.100 14.349 285 HB3 ASP 509 2HB ASP 509 19.951 13.872 15.540 286 H ASP 510 H ASP 510 18.248 10.232 14.966 287 HA ASP 510 HA ASP 510 16.090 11.035 16.847 288 HB2 ASP 510 1HB ASP 510 14.617 9.331 15.799 289 HB3 ASP 510 2HB ASP 510 14.996 10.682 14.738 290 H SER 511 H SER 511 18.933 9.703 16.866 291 HA SER 511 HA SER 511 18.721 7.057 17.901 292 HB2 SER 511 1HB SER 511 20.763 8.203 16.994 293 HB3 SER 511 2HB SER 511 20.838 9.170 18.479 294 HG SER 511 HG SER 511 22.178 7.299 18.527 295 H ARG 512 H ARG 512 18.088 10.116 19.431 296 HA ARG 512 HA ARG 512 17.721 8.858 22.124 297 HB2 ARG 512 1HB ARG 512 18.957 11.596 21.527 298 HB3 ARG 512 2HB ARG 512 18.651 10.924 23.133 299 HG2 ARG 512 1HG ARG 512 20.275 9.068 22.646 300 HG3 ARG 512 2HG ARG 512 20.615 9.819 21.078 301 HD2 ARG 512 1HD ARG 512 22.357 10.503 22.533 302 HD3 ARG 512 2HD ARG 512 21.316 11.916 22.253 303 HE ARG 512 HE ARG 512 20.525 10.470 24.647 304 HH11 ARG 512 1HH1 ARG 512 23.000 12.707 23.554 305 HH12 ARG 512 2HH1 ARG 512 23.302 13.300 25.168 306 HH21 ARG 512 1HH2 ARG 512 20.958 11.278 26.669 307 HH22 ARG 512 2HH2 ARG 512 22.174 12.505 26.878 308 H LYS 513 H LYS 513 16.509 10.443 23.596 309 HA LYS 513 HA LYS 513 13.854 10.862 22.527 310 HB2 LYS 513 1HB LYS 513 15.074 11.975 25.100 311 HB3 LYS 513 2HB LYS 513 13.352 11.794 24.756 312 HG2 LYS 513 1HG LYS 513 15.344 9.488 25.019 313 HG3 LYS 513 2HG LYS 513 14.284 10.058 26.299 314 HD2 LYS 513 1HD LYS 513 12.329 9.303 25.266 315 HD3 LYS 513 2HD LYS 513 13.058 9.163 23.655 316 HE2 LYS 513 1HE LYS 513 13.863 7.427 26.040 317 HE3 LYS 513 2HE LYS 513 12.595 6.988 24.881 318 HZ1 LYS 513 3HZ LYS 513 15.450 7.442 24.183 319 HZ2 LYS 513 1HZ LYS 513 14.261 7.096 23.097 320 HZ3 LYS 513 2HZ LYS 513 14.690 5.997 24.228 321 H TRP 514 H TRP 514 16.549 13.048 23.022 322 HA TRP 514 HA TRP 514 15.037 15.409 22.080 323 HB2 TRP 514 1HB TRP 514 17.916 15.002 22.945 324 HB3 TRP 514 2HB TRP 514 17.272 16.505 22.313 325 HD1 TRP 514 HD1 TRP 514 16.959 14.215 25.373 326 HE1 TRP 514 HE1 TRP 514 15.920 15.520 27.326 327 HE3 TRP 514 HE3 TRP 514 15.886 18.587 22.944 328 HZ2 TRP 514 HZ2 TRP 514 14.717 18.113 27.759 329 HZ3 TRP 514 HZ3 TRP 514 14.796 20.469 24.146 330 HH2 TRP 514 HH2 TRP 514 14.199 20.240 26.549 331 H TRP 515 H TRP 515 14.426 14.922 19.998 332 HA TRP 515 HA TRP 515 16.234 13.848 17.973 333 HB2 TRP 515 1HB TRP 515 13.481 15.134 17.878 334 HB3 TRP 515 2HB TRP 515 14.380 14.711 16.425 335 HD1 TRP 515 HD1 TRP 515 14.553 12.328 19.355 336 HE1 TRP 515 HE1 TRP 515 13.474 10.102 18.757 337 HE3 TRP 515 HE3 TRP 515 12.384 13.703 14.929 338 HZ2 TRP 515 HZ2 TRP 515 11.799 9.054 16.639 339 HZ3 TRP 515 HZ3 TRP 515 11.105 12.030 13.602 340 HH2 TRP 515 HH2 TRP 515 10.793 9.720 14.448 341 H LYS 516 H LYS 516 17.294 14.901 16.368 342 HA LYS 516 HA LYS 516 17.711 17.859 16.705 343 HB2 LYS 516 1HB LYS 516 19.707 16.177 16.617 344 HB3 LYS 516 2HB LYS 516 19.359 16.083 14.878 345 HG2 LYS 516 1HG LYS 516 19.583 18.591 14.741 346 HG3 LYS 516 2HG LYS 516 19.888 18.630 16.482 347 HD2 LYS 516 1HD LYS 516 21.974 18.877 15.501 348 HD3 LYS 516 2HD LYS 516 21.972 17.214 16.085 349 HE2 LYS 516 1HE LYS 516 21.162 17.803 13.207 350 HE3 LYS 516 2HE LYS 516 22.862 17.968 13.657 351 HZ1 LYS 516 3HZ LYS 516 22.444 15.743 12.848 352 HZ2 LYS 516 1HZ LYS 516 21.301 15.456 13.988 353 HZ3 LYS 516 2HZ LYS 516 22.872 15.670 14.417 354 H VAL 517 H VAL 517 16.921 19.222 15.271 355 HA VAL 517 HA VAL 517 15.922 18.264 12.626 356 HB VAL 517 HB VAL 517 13.878 19.490 12.855 357 HG11 VAL 517 1HG1 VAL 517 13.877 17.109 13.569 358 HG12 VAL 517 2HG1 VAL 517 14.118 17.628 15.248 359 HG13 VAL 517 3HG1 VAL 517 12.642 18.073 14.375 360 HG21 VAL 517 3HG2 VAL 517 14.743 20.108 15.712 361 HG22 VAL 517 1HG2 VAL 517 14.394 21.274 14.412 362 HG23 VAL 517 2HG2 VAL 517 13.092 20.298 15.109 363 H ARG 518 H ARG 518 15.675 19.872 11.039 364 HA ARG 518 HA ARG 518 17.327 22.332 11.462 365 HB2 ARG 518 1HB ARG 518 17.758 20.627 9.533 366 HB3 ARG 518 2HB ARG 518 16.295 21.267 8.799 367 HG2 ARG 518 1HG ARG 518 17.381 23.606 9.033 368 HG3 ARG 518 2HG ARG 518 18.873 22.765 9.475 369 HD2 ARG 518 1HD ARG 518 17.309 22.479 6.878 370 HD3 ARG 518 2HD ARG 518 18.835 23.363 7.090 371 HE ARG 518 HE ARG 518 19.476 20.817 7.941 372 HH11 ARG 518 1HH1 ARG 518 18.214 22.076 4.919 373 HH12 ARG 518 2HH1 ARG 518 18.821 20.723 3.996 374 HH21 ARG 518 1HH2 ARG 518 20.194 19.106 6.705 375 HH22 ARG 518 2HH2 ARG 518 19.916 19.097 4.989 376 H ASP 519 H ASP 519 16.273 24.093 11.877 377 HA ASP 519 HA ASP 519 13.451 24.586 11.295 378 HB2 ASP 519 1HB ASP 519 13.982 26.843 12.243 379 HB3 ASP 519 2HB ASP 519 14.379 25.496 13.295 380 HA PRO 520 HA PRO 520 13.839 26.417 7.310 381 HB2 PRO 520 1HB PRO 520 11.910 28.372 7.261 382 HB3 PRO 520 2HB PRO 520 11.554 26.620 7.315 383 HG2 PRO 520 1HG PRO 520 11.690 28.548 9.656 384 HG3 PRO 520 2HG PRO 520 10.365 27.412 9.237 385 HD2 PRO 520 1HD PRO 520 12.229 26.730 11.050 386 HD3 PRO 520 2HD PRO 520 11.680 25.527 9.858 387 H ALA 521 H ALA 521 14.709 28.366 10.024 388 HA ALA 521 HA ALA 521 15.526 30.723 8.475 389 HB1 ALA 521 1HB ALA 521 16.190 29.972 11.354 390 HB2 ALA 521 2HB ALA 521 16.352 31.566 10.581 391 HB3 ALA 521 3HB ALA 521 14.731 30.872 10.848 392 H GLY 522 H GLY 522 16.848 27.609 9.139 393 HA2 GLY 522 1HA GLY 522 18.659 26.763 7.868 394 HA3 GLY 522 2HA GLY 522 19.383 28.366 7.775 395 H GLN 523 H GLN 523 18.253 27.348 10.925 396 HA GLN 523 HA GLN 523 21.062 26.837 11.823 397 HB2 GLN 523 1HB GLN 523 18.683 27.600 13.544 398 HB3 GLN 523 2HB GLN 523 20.358 27.504 14.022 399 HG2 GLN 523 1HG GLN 523 20.339 29.341 11.853 400 HG3 GLN 523 2HG GLN 523 18.856 29.689 12.735 401 HE21 GLN 523 2HE2 GLN 523 21.806 30.893 12.403 402 HE22 GLN 523 1HE2 GLN 523 22.165 31.369 14.061 403 H GLU 524 H GLU 524 20.720 25.427 14.074 404 HA GLU 524 HA GLU 524 18.876 23.149 13.679 405 HB2 GLU 524 1HB GLU 524 21.911 22.923 13.672 406 HB3 GLU 524 2HB GLU 524 20.941 21.656 14.412 407 HG2 GLU 524 1HG GLU 524 20.420 20.717 12.502 408 HG3 GLU 524 2HG GLU 524 19.837 22.203 11.781 409 H GLY 525 H GLY 525 18.444 22.011 15.587 410 HA2 GLY 525 1HA GLY 525 19.938 22.393 18.024 411 HA3 GLY 525 2HA GLY 525 18.439 23.317 18.071 412 H TYR 526 H TYR 526 18.657 21.592 19.971 413 HA TYR 526 HA TYR 526 17.345 19.027 19.216 414 HB2 TYR 526 1HB TYR 526 18.733 20.017 21.734 415 HB3 TYR 526 2HB TYR 526 17.892 18.482 21.623 416 HD1 TYR 526 HD2 TYR 526 18.578 16.872 19.662 417 HD2 TYR 526 HD1 TYR 526 21.051 20.068 21.179 418 HE1 TYR 526 HE2 TYR 526 20.604 15.755 18.732 419 HE2 TYR 526 HE1 TYR 526 23.063 18.981 20.203 420 HH TYR 526 HH TYR 526 23.863 17.201 19.025 421 H VAL 527 H VAL 527 15.384 18.412 19.854 422 HA VAL 527 HA VAL 527 13.802 19.894 21.863 423 HB VAL 527 HB VAL 527 11.790 19.741 20.262 424 HG11 VAL 527 1HG1 VAL 527 12.818 21.849 21.038 425 HG12 VAL 527 2HG1 VAL 527 13.874 21.835 19.612 426 HG13 VAL 527 3HG1 VAL 527 12.111 21.948 19.422 427 HG21 VAL 527 3HG2 VAL 527 12.158 19.932 17.892 428 HG22 VAL 527 1HG2 VAL 527 13.923 19.882 18.096 429 HG23 VAL 527 2HG2 VAL 527 12.950 18.441 18.453 430 HA PRO 528 HA PRO 528 12.558 15.776 22.833 431 HB2 PRO 528 1HB PRO 528 10.071 16.099 23.982 432 HB3 PRO 528 2HB PRO 528 11.610 16.549 24.766 433 HG2 PRO 528 1HG PRO 528 9.667 18.358 23.310 434 HG3 PRO 528 2HG PRO 528 10.509 18.641 24.857 435 HD2 PRO 528 1HD PRO 528 11.386 19.672 22.482 436 HD3 PRO 528 2HD PRO 528 12.508 19.187 23.778 437 H TYR 529 H TYR 529 11.763 14.079 21.672 438 HA TYR 529 HA TYR 529 10.254 14.364 19.310 439 HB2 TYR 529 1HB TYR 529 10.335 12.069 19.122 440 HB3 TYR 529 2HB TYR 529 11.746 12.424 20.100 441 HD1 TYR 529 HD2 TYR 529 11.466 12.188 22.721 442 HD2 TYR 529 HD1 TYR 529 8.720 10.502 19.837 443 HE1 TYR 529 HE2 TYR 529 10.603 10.642 24.452 444 HE2 TYR 529 HE1 TYR 529 7.877 8.931 21.580 445 HH TYR 529 HH TYR 529 9.169 8.933 24.919 446 H ASN 530 H ASN 530 9.028 14.252 22.569 447 HA ASN 530 HA ASN 530 6.472 13.113 22.074 448 HB2 ASN 530 1HB ASN 530 7.654 13.300 24.277 449 HB3 ASN 530 2HB ASN 530 7.335 15.038 24.279 450 HD21 ASN 530 2HD2 ASN 530 5.860 11.811 24.523 451 HD22 ASN 530 1HD2 ASN 530 4.337 12.394 25.185 452 H ILE 531 H ILE 531 7.492 16.563 21.959 453 HA ILE 531 HA ILE 531 4.749 17.473 21.382 454 HB ILE 531 HB ILE 531 5.655 19.666 21.064 455 HG12 ILE 531 1HG1 ILE 531 8.424 18.450 21.385 456 HG13 ILE 531 2HG1 ILE 531 7.760 19.148 19.910 457 HG21 ILE 531 1HG2 ILE 531 6.357 20.090 23.338 458 HG22 ILE 531 2HG2 ILE 531 5.194 18.763 23.360 459 HG23 ILE 531 3HG2 ILE 531 6.930 18.420 23.540 460 HD11 ILE 531 3HD1 ILE 531 8.442 20.645 22.456 461 HD12 ILE 531 1HD1 ILE 531 9.261 20.730 20.892 462 HD13 ILE 531 2HD1 ILE 531 7.606 21.355 21.050 463 H LEU 532 H LEU 532 7.369 16.235 19.537 464 HA LEU 532 HA LEU 532 6.457 17.310 16.947 465 HB2 LEU 532 1HB LEU 532 8.501 15.158 17.645 466 HB3 LEU 532 2HB LEU 532 8.221 15.821 16.040 467 HG LEU 532 HG LEU 532 9.284 17.397 18.434 468 HD11 LEU 532 1HD1 LEU 532 11.388 17.417 17.129 469 HD12 LEU 532 2HD1 LEU 532 10.652 16.341 15.929 470 HD13 LEU 532 3HD1 LEU 532 10.909 15.781 17.595 471 HD21 LEU 532 3HD2 LEU 532 8.927 18.220 15.519 472 HD22 LEU 532 1HD2 LEU 532 9.781 19.158 16.765 473 HD23 LEU 532 2HD2 LEU 532 8.047 18.880 16.923 474 H THR 533 H THR 533 5.759 15.915 15.232 475 HA THR 533 HA THR 533 4.643 13.271 15.893 476 HB THR 533 HB THR 533 2.508 14.163 14.519 477 HG1 THR 533 HG1 THR 533 3.576 16.397 14.766 478 HG21 THR 533 3HG2 THR 533 1.281 14.410 16.587 479 HG22 THR 533 1HG2 THR 533 2.774 14.662 17.502 480 HG23 THR 533 2HG2 THR 533 2.441 13.089 16.757 481 HA PRO 534 HA PRO 534 5.778 12.457 11.663 482 HB2 PRO 534 1HB PRO 534 3.827 10.761 10.740 483 HB3 PRO 534 2HB PRO 534 5.081 10.269 11.917 484 HG2 PRO 534 1HG PRO 534 2.243 11.175 12.495 485 HG3 PRO 534 2HG PRO 534 3.092 9.725 13.124 486 HD2 PRO 534 1HD PRO 534 2.927 12.006 14.568 487 HD3 PRO 534 2HD PRO 534 4.418 11.029 14.588 488 H TYR 535 H TYR 535 5.128 12.915 9.446 489 HA TYR 535 HA TYR 535 2.715 14.646 9.166 490 HB2 TYR 535 1HB TYR 535 4.765 15.998 9.193 491 HB3 TYR 535 2HB TYR 535 5.372 15.107 7.810 492 HD1 TYR 535 HD1 TYR 535 1.864 16.440 8.471 493 HD2 TYR 535 HD2 TYR 535 5.469 16.727 6.094 494 HE1 TYR 535 HE1 TYR 535 0.712 17.970 6.903 495 HE2 TYR 535 HE2 TYR 535 4.323 18.324 4.572 496 HH TYR 535 HH TYR 535 2.382 19.428 4.095 497 HA PRO 536 HA PRO 536 2.278 11.099 6.219 498 HB2 PRO 536 1HB PRO 536 -0.264 10.381 6.871 499 HB3 PRO 536 2HB PRO 536 1.146 9.888 7.857 500 HG2 PRO 536 1HG PRO 536 -0.715 12.242 8.328 501 HG3 PRO 536 2HG PRO 536 -0.226 10.968 9.496 502 HD2 PRO 536 1HD PRO 536 1.023 13.394 9.370 503 HD3 PRO 536 2HD PRO 536 1.917 11.890 9.748 504 H ALA 537 H ALA 537 0.268 10.852 4.660 505 HA ALA 537 HA ALA 537 -0.797 11.645 2.852 506 HB1 ALA 537 1HB ALA 537 -2.461 13.373 3.176 507 HB2 ALA 537 2HB ALA 537 -2.378 12.369 4.634 508 HB3 ALA 537 3HB ALA 537 -1.628 13.983 4.619 509 H ALA 538 H ALA 538 2.047 12.583 3.312 510 HA ALA 538 HA ALA 538 2.202 15.135 1.838 511 HB1 ALA 538 1HB ALA 538 4.339 13.326 3.046 512 HB2 ALA 538 2HB ALA 538 4.606 14.937 2.346 513 HB3 ALA 538 3HB ALA 538 3.617 14.761 3.809 514 H ALA 539 H ALA 539 2.187 15.152 -0.332 515 HA ALA 539 HA ALA 539 2.757 12.845 -2.006 516 HB1 ALA 539 1HB ALA 539 1.107 14.565 -2.629 517 HB2 ALA 539 2HB ALA 539 2.385 15.798 -2.671 518 HB3 ALA 539 3HB ALA 539 2.397 14.464 -3.838 519 H SER 540 H SER 540 4.515 12.425 -3.268 520 HA SER 540 HA SER 540 6.960 14.109 -3.269 521 HB2 SER 540 1HB SER 540 6.886 11.236 -2.259 522 HB3 SER 540 2HB SER 540 8.357 12.139 -2.657 523 HG SER 540 HG SER 540 7.838 12.250 -0.408 Start of MODEL 19 1 H1 GLY 473 H GLY 473 32.548 20.717 0.051 2 HA2 GLY 473 1HA GLY 473 30.739 23.038 0.213 3 HA3 GLY 473 2HA GLY 473 30.660 21.821 -1.074 4 HA PRO 474 HA PRO 474 28.093 20.243 2.552 5 HB2 PRO 474 1HB PRO 474 25.572 20.765 1.657 6 HB3 PRO 474 2HB PRO 474 26.535 21.942 2.597 7 HG2 PRO 474 1HG PRO 474 26.158 21.830 -0.407 8 HG3 PRO 474 2HG PRO 474 26.049 23.251 0.676 9 HD2 PRO 474 1HD PRO 474 28.306 22.629 -0.763 10 HD3 PRO 474 2HD PRO 474 28.377 23.426 0.836 11 H LEU 475 H LEU 475 28.640 18.167 2.068 12 HA LEU 475 HA LEU 475 27.300 16.794 -0.246 13 HB2 LEU 475 1HB LEU 475 30.029 16.357 1.023 14 HB3 LEU 475 2HB LEU 475 29.167 15.057 0.220 15 HG LEU 475 HG LEU 475 29.041 16.480 -1.871 16 HD11 LEU 475 1HD1 LEU 475 31.142 18.108 -0.375 17 HD12 LEU 475 2HD1 LEU 475 29.584 18.701 -1.004 18 HD13 LEU 475 3HD1 LEU 475 30.843 18.191 -2.127 19 HD21 LEU 475 3HD2 LEU 475 31.352 15.905 -2.520 20 HD22 LEU 475 1HD2 LEU 475 30.600 14.599 -1.594 21 HD23 LEU 475 2HD2 LEU 475 31.780 15.672 -0.808 22 H GLY 476 H GLY 476 26.332 14.864 0.085 23 HA2 GLY 476 1HA GLY 476 26.269 12.964 1.955 24 HA3 GLY 476 2HA GLY 476 25.386 14.226 2.818 25 H SER 477 H SER 477 24.117 11.889 2.360 26 HA SER 477 HA SER 477 21.772 12.786 0.893 27 HB2 SER 477 1HB SER 477 23.250 11.698 -0.888 28 HB3 SER 477 2HB SER 477 23.024 10.167 -0.025 29 HG SER 477 HG SER 477 21.501 10.561 -1.747 30 H GLY 478 H GLY 478 19.924 11.378 1.220 31 HA2 GLY 478 1HA GLY 478 19.696 9.030 2.669 32 HA3 GLY 478 2HA GLY 478 19.732 10.292 3.905 33 H ALA 479 H ALA 479 17.529 8.949 4.007 34 HA ALA 479 HA ALA 479 15.310 9.898 2.421 35 HB1 ALA 479 1HB ALA 479 15.239 7.830 3.777 36 HB2 ALA 479 2HB ALA 479 15.408 8.791 5.265 37 HB3 ALA 479 3HB ALA 479 13.956 8.957 4.255 38 H LEU 480 H LEU 480 13.593 11.314 3.178 39 HA LEU 480 HA LEU 480 14.545 13.605 4.850 40 HB2 LEU 480 1HB LEU 480 12.834 13.971 2.378 41 HB3 LEU 480 2HB LEU 480 13.589 15.167 3.410 42 HG LEU 480 HG LEU 480 15.845 13.897 2.623 43 HD11 LEU 480 1HD1 LEU 480 14.542 12.257 1.177 44 HD12 LEU 480 2HD1 LEU 480 15.722 13.223 0.288 45 HD13 LEU 480 3HD1 LEU 480 13.993 13.630 0.204 46 HD21 LEU 480 3HD2 LEU 480 14.331 15.952 0.963 47 HD22 LEU 480 1HD2 LEU 480 16.070 15.590 0.839 48 HD23 LEU 480 2HD2 LEU 480 15.418 16.283 2.333 49 H LYS 481 H LYS 481 13.519 12.226 6.453 50 HA LYS 481 HA LYS 481 10.579 12.116 6.586 51 HB2 LYS 481 1HB LYS 481 12.662 11.528 8.724 52 HB3 LYS 481 2HB LYS 481 10.936 11.179 8.818 53 HG2 LYS 481 1HG LYS 481 12.937 9.907 6.898 54 HG3 LYS 481 2HG LYS 481 12.213 9.167 8.324 55 HD2 LYS 481 1HD LYS 481 9.947 9.353 7.236 56 HD3 LYS 481 2HD LYS 481 10.729 10.027 5.801 57 HE2 LYS 481 1HE LYS 481 10.352 7.741 5.331 58 HE3 LYS 481 2HE LYS 481 12.089 7.941 5.571 59 HZ1 LYS 481 3HZ LYS 481 10.191 6.878 7.606 60 HZ2 LYS 481 1HZ LYS 481 11.810 7.019 7.818 61 HZ3 LYS 481 2HZ LYS 481 11.215 5.975 6.716 62 H TRP 482 H TRP 482 9.811 14.157 6.436 63 HA TRP 482 HA TRP 482 10.575 16.305 8.259 64 HB2 TRP 482 1HB TRP 482 8.097 15.952 6.544 65 HB3 TRP 482 2HB TRP 482 8.548 17.415 7.406 66 HD1 TRP 482 HD1 TRP 482 9.696 15.244 4.483 67 HE1 TRP 482 HE1 TRP 482 11.086 16.632 2.830 68 HE3 TRP 482 HE3 TRP 482 10.029 19.552 7.180 69 HZ2 TRP 482 HZ2 TRP 482 12.214 19.275 2.715 70 HZ3 TRP 482 HZ3 TRP 482 11.235 21.530 6.266 71 HH2 TRP 482 HH2 TRP 482 12.338 21.403 4.040 72 H VAL 483 H VAL 483 9.239 17.203 9.880 73 HA VAL 483 HA VAL 483 7.132 15.509 11.092 74 HB VAL 483 HB VAL 483 8.010 16.044 13.373 75 HG11 VAL 483 1HG1 VAL 483 9.749 14.232 11.672 76 HG12 VAL 483 2HG1 VAL 483 9.603 14.199 13.444 77 HG13 VAL 483 3HG1 VAL 483 8.208 13.808 12.431 78 HG21 VAL 483 3HG2 VAL 483 10.490 16.397 13.588 79 HG22 VAL 483 1HG2 VAL 483 10.552 16.814 11.876 80 HG23 VAL 483 2HG2 VAL 483 9.592 17.800 13.002 81 H LEU 484 H LEU 484 5.551 16.620 12.149 82 HA LEU 484 HA LEU 484 5.557 19.593 11.790 83 HB2 LEU 484 1HB LEU 484 3.774 18.204 10.585 84 HB3 LEU 484 2HB LEU 484 3.160 17.766 12.170 85 HG LEU 484 HG LEU 484 2.815 20.269 12.622 86 HD11 LEU 484 1HD1 LEU 484 4.363 21.156 10.852 87 HD12 LEU 484 2HD1 LEU 484 2.717 21.782 10.716 88 HD13 LEU 484 3HD1 LEU 484 3.264 20.502 9.619 89 HD21 LEU 484 3HD2 LEU 484 1.353 19.035 10.256 90 HD22 LEU 484 1HD2 LEU 484 0.777 20.395 11.250 91 HD23 LEU 484 2HD2 LEU 484 0.970 18.791 11.976 92 H CYS 485 H CYS 485 4.987 20.892 13.539 93 HA CYS 485 HA CYS 485 5.519 19.726 16.192 94 HB2 CYS 485 1HB CYS 485 6.451 21.932 15.087 95 HB3 CYS 485 2HB CYS 485 4.873 22.596 15.511 96 HG CYS 485 HG CYS 485 7.201 21.200 17.419 97 H ASN 486 H ASN 486 3.786 18.837 17.312 98 HA ASN 486 HA ASN 486 1.032 19.620 16.730 99 HB2 ASN 486 1HB ASN 486 2.010 17.292 17.444 100 HB3 ASN 486 2HB ASN 486 1.962 17.914 19.064 101 HD21 ASN 486 2HD2 ASN 486 0.539 15.789 18.943 102 HD22 ASN 486 1HD2 ASN 486 -1.174 16.084 18.681 103 H TYR 487 H TYR 487 3.474 20.575 19.047 104 HA TYR 487 HA TYR 487 1.666 22.554 20.326 105 HB2 TYR 487 1HB TYR 487 3.393 20.577 21.877 106 HB3 TYR 487 2HB TYR 487 2.427 21.868 22.562 107 HD1 TYR 487 HD1 TYR 487 -0.101 21.727 22.486 108 HD2 TYR 487 HD2 TYR 487 2.432 18.455 21.259 109 HE1 TYR 487 HE1 TYR 487 -2.041 20.162 22.636 110 HE2 TYR 487 HE2 TYR 487 0.504 16.901 21.392 111 HH TYR 487 HH TYR 487 -1.721 16.678 21.877 112 H ASP 488 H ASP 488 2.691 24.473 20.589 113 HA ASP 488 HA ASP 488 5.348 25.009 19.715 114 HB2 ASP 488 1HB ASP 488 4.984 27.223 20.560 115 HB3 ASP 488 2HB ASP 488 3.517 26.664 19.771 116 H PHE 489 H PHE 489 7.209 25.747 20.883 117 HA PHE 489 HA PHE 489 7.534 24.996 23.714 118 HB2 PHE 489 1HB PHE 489 7.730 22.863 22.541 119 HB3 PHE 489 2HB PHE 489 8.901 23.532 21.422 120 HD1 PHE 489 HD1 PHE 489 8.328 22.491 24.948 121 HD2 PHE 489 HD2 PHE 489 11.247 23.591 21.968 122 HE1 PHE 489 HE1 PHE 489 10.151 21.707 26.442 123 HE2 PHE 489 HE2 PHE 489 13.062 22.761 23.448 124 HZ PHE 489 HZ PHE 489 12.521 21.841 25.692 125 H GLN 490 H GLN 490 9.087 26.174 24.660 126 HA GLN 490 HA GLN 490 10.811 27.952 22.976 127 HB2 GLN 490 1HB GLN 490 8.939 28.530 25.249 128 HB3 GLN 490 2HB GLN 490 10.449 29.440 25.166 129 HG2 GLN 490 1HG GLN 490 8.672 30.677 24.051 130 HG3 GLN 490 2HG GLN 490 9.943 30.230 22.921 131 HE21 GLN 490 2HE2 GLN 490 8.960 29.844 20.932 132 HE22 GLN 490 1HE2 GLN 490 7.625 28.715 20.749 133 H ALA 491 H ALA 491 12.806 27.424 23.154 134 HA ALA 491 HA ALA 491 13.868 26.027 25.580 135 HB1 ALA 491 1HB ALA 491 13.747 25.349 22.812 136 HB2 ALA 491 2HB ALA 491 15.441 25.650 23.206 137 HB3 ALA 491 3HB ALA 491 14.501 24.493 24.161 138 H ARG 492 H ARG 492 15.431 27.765 22.907 139 HA ARG 492 HA ARG 492 17.360 28.983 22.820 140 HB2 ARG 492 1HB ARG 492 15.808 30.772 24.734 141 HB3 ARG 492 2HB ARG 492 17.103 31.251 23.630 142 HG2 ARG 492 1HG ARG 492 15.523 30.214 21.774 143 HG3 ARG 492 2HG ARG 492 14.256 30.470 22.980 144 HD2 ARG 492 1HD ARG 492 16.154 32.564 21.840 145 HD3 ARG 492 2HD ARG 492 14.461 32.347 21.379 146 HE ARG 492 HE ARG 492 14.313 32.781 24.104 147 HH11 ARG 492 1HH1 ARG 492 15.705 34.645 21.469 148 HH12 ARG 492 2HH1 ARG 492 15.453 36.163 22.294 149 HH21 ARG 492 1HH2 ARG 492 14.021 34.764 25.088 150 HH22 ARG 492 2HH2 ARG 492 14.524 36.220 24.274 151 H ASN 493 H ASN 493 17.730 26.889 24.712 152 HA ASN 493 HA ASN 493 18.924 28.008 27.128 153 HB2 ASN 493 1HB ASN 493 17.617 25.966 27.218 154 HB3 ASN 493 2HB ASN 493 18.652 25.185 26.026 155 HD21 ASN 493 2HD2 ASN 493 19.208 23.466 27.393 156 HD22 ASN 493 1HD2 ASN 493 20.338 23.706 28.733 157 H SER 494 H SER 494 20.337 25.894 24.585 158 HA SER 494 HA SER 494 22.810 27.392 24.388 159 HB2 SER 494 1HB SER 494 23.202 26.308 26.585 160 HB3 SER 494 2HB SER 494 22.931 24.718 25.856 161 HG SER 494 HG SER 494 25.160 25.308 26.018 162 H SER 495 H SER 495 21.548 24.032 24.054 163 HA SER 495 HA SER 495 22.325 24.036 21.160 164 HB2 SER 495 1HB SER 495 23.670 22.595 22.881 165 HB3 SER 495 2HB SER 495 22.258 21.529 22.847 166 HG SER 495 HG SER 495 23.936 21.026 21.304 167 H GLU 496 H GLU 496 19.766 24.555 22.800 168 HA GLU 496 HA GLU 496 17.854 22.709 21.419 169 HB2 GLU 496 1HB GLU 496 17.431 24.537 23.821 170 HB3 GLU 496 2HB GLU 496 16.236 23.464 23.067 171 HG2 GLU 496 1HG GLU 496 17.538 21.511 23.718 172 HG3 GLU 496 2HG GLU 496 18.774 22.549 24.447 173 H LEU 497 H LEU 497 15.891 23.801 20.567 174 HA LEU 497 HA LEU 497 16.212 26.677 19.896 175 HB2 LEU 497 1HB LEU 497 17.432 25.270 18.221 176 HB3 LEU 497 2HB LEU 497 15.922 24.486 17.793 177 HG LEU 497 HG LEU 497 15.804 27.470 17.747 178 HD11 LEU 497 1HD1 LEU 497 17.593 26.023 15.766 179 HD12 LEU 497 2HD1 LEU 497 18.118 27.191 17.000 180 HD13 LEU 497 3HD1 LEU 497 17.072 27.719 15.672 181 HD21 LEU 497 3HD2 LEU 497 14.648 27.089 15.651 182 HD22 LEU 497 1HD2 LEU 497 14.039 25.931 16.848 183 HD23 LEU 497 2HD2 LEU 497 15.181 25.392 15.614 184 H SER 498 H SER 498 14.335 27.776 19.746 185 HA SER 498 HA SER 498 11.913 26.522 20.699 186 HB2 SER 498 1HB SER 498 10.960 28.827 20.386 187 HB3 SER 498 2HB SER 498 12.385 28.742 21.431 188 HG SER 498 HG SER 498 12.450 30.478 19.891 189 H VAL 499 H VAL 499 9.962 26.231 19.715 190 HA VAL 499 HA VAL 499 9.763 26.435 16.743 191 HB VAL 499 HB VAL 499 8.887 24.123 16.619 192 HG11 VAL 499 1HG1 VAL 499 11.042 22.967 16.695 193 HG12 VAL 499 2HG1 VAL 499 11.223 24.584 15.993 194 HG13 VAL 499 3HG1 VAL 499 11.742 24.267 17.663 195 HG21 VAL 499 3HG2 VAL 499 8.300 23.784 19.026 196 HG22 VAL 499 1HG2 VAL 499 9.314 22.494 18.366 197 HG23 VAL 499 2HG2 VAL 499 10.038 23.729 19.410 198 H LYS 500 H LYS 500 7.619 26.068 15.908 199 HA LYS 500 HA LYS 500 5.450 27.038 17.754 200 HB2 LYS 500 1HB LYS 500 5.918 27.738 14.829 201 HB3 LYS 500 2HB LYS 500 4.621 28.366 15.813 202 HG2 LYS 500 1HG LYS 500 7.519 28.933 16.538 203 HG3 LYS 500 2HG LYS 500 6.714 29.787 15.233 204 HD2 LYS 500 1HD LYS 500 6.521 31.187 17.093 205 HD3 LYS 500 2HD LYS 500 4.912 30.504 16.834 206 HE2 LYS 500 1HE LYS 500 5.323 28.871 18.670 207 HE3 LYS 500 2HE LYS 500 6.963 29.519 18.868 208 HZ1 LYS 500 3HZ LYS 500 5.954 31.667 19.470 209 HZ2 LYS 500 1HZ LYS 500 5.419 30.501 20.483 210 HZ3 LYS 500 2HZ LYS 500 4.448 31.058 19.293 211 H GLN 501 H GLN 501 3.331 26.494 17.173 212 HA GLN 501 HA GLN 501 2.987 23.756 16.436 213 HB2 GLN 501 1HB GLN 501 1.677 25.079 18.084 214 HB3 GLN 501 2HB GLN 501 0.874 25.925 16.752 215 HG2 GLN 501 1HG GLN 501 -0.133 23.833 15.985 216 HG3 GLN 501 2HG GLN 501 0.807 22.899 17.146 217 HE21 GLN 501 2HE2 GLN 501 -2.211 23.276 16.712 218 HE22 GLN 501 1HE2 GLN 501 -2.791 23.740 18.306 219 H ARG 502 H ARG 502 3.297 26.414 14.354 220 HA ARG 502 HA ARG 502 2.036 24.940 12.067 221 HB2 ARG 502 1HB ARG 502 2.193 27.964 12.385 222 HB3 ARG 502 2HB ARG 502 1.383 27.059 11.097 223 HG2 ARG 502 1HG ARG 502 -0.126 26.051 12.899 224 HG3 ARG 502 2HG ARG 502 0.551 27.241 14.023 225 HD2 ARG 502 1HD ARG 502 -0.965 27.804 11.449 226 HD3 ARG 502 2HD ARG 502 -1.573 28.022 13.098 227 HE ARG 502 HE ARG 502 0.680 29.616 13.052 228 HH11 ARG 502 1HH1 ARG 502 -2.225 29.558 11.086 229 HH12 ARG 502 2HH1 ARG 502 -2.058 31.236 10.632 230 HH21 ARG 502 1HH2 ARG 502 0.846 31.738 12.412 231 HH22 ARG 502 2HH2 ARG 502 -0.370 32.431 11.373 232 H ASP 503 H ASP 503 4.800 24.921 13.134 233 HA ASP 503 HA ASP 503 6.337 25.995 10.805 234 HB2 ASP 503 1HB ASP 503 6.777 27.126 12.896 235 HB3 ASP 503 2HB ASP 503 7.123 25.590 13.708 236 H VAL 504 H VAL 504 6.694 24.430 9.427 237 HA VAL 504 HA VAL 504 6.942 21.603 10.062 238 HB VAL 504 HB VAL 504 5.899 22.220 8.023 239 HG11 VAL 504 1HG1 VAL 504 6.893 24.410 7.508 240 HG12 VAL 504 2HG1 VAL 504 8.448 23.634 7.137 241 HG13 VAL 504 3HG1 VAL 504 7.024 23.317 6.131 242 HG21 VAL 504 3HG2 VAL 504 8.609 21.195 7.177 243 HG22 VAL 504 1HG2 VAL 504 7.427 20.178 8.034 244 HG23 VAL 504 2HG2 VAL 504 7.040 20.854 6.438 245 H LEU 505 H LEU 505 8.726 20.332 10.219 246 HA LEU 505 HA LEU 505 11.446 21.581 10.089 247 HB2 LEU 505 1HB LEU 505 10.362 19.771 12.271 248 HB3 LEU 505 2HB LEU 505 11.948 20.526 12.238 249 HG LEU 505 HG LEU 505 9.330 22.069 12.465 250 HD11 LEU 505 1HD1 LEU 505 9.679 22.267 14.791 251 HD12 LEU 505 2HD1 LEU 505 11.252 21.453 14.711 252 HD13 LEU 505 3HD1 LEU 505 9.752 20.544 14.405 253 HD21 LEU 505 3HD2 LEU 505 11.165 23.443 11.616 254 HD22 LEU 505 1HD2 LEU 505 12.224 22.903 12.942 255 HD23 LEU 505 2HD2 LEU 505 10.788 23.896 13.279 256 H GLU 506 H GLU 506 13.176 20.074 9.754 257 HA GLU 506 HA GLU 506 12.337 17.418 8.628 258 HB2 GLU 506 1HB GLU 506 13.023 19.224 7.039 259 HB3 GLU 506 2HB GLU 506 14.639 19.165 7.694 260 HG2 GLU 506 1HG GLU 506 13.302 16.619 6.706 261 HG3 GLU 506 2HG GLU 506 13.810 17.807 5.520 262 H VAL 507 H VAL 507 13.143 15.648 9.576 263 HA VAL 507 HA VAL 507 14.872 15.948 11.887 264 HB VAL 507 HB VAL 507 13.785 13.408 10.611 265 HG11 VAL 507 1HG1 VAL 507 14.113 12.451 12.889 266 HG12 VAL 507 2HG1 VAL 507 15.641 12.907 12.145 267 HG13 VAL 507 3HG1 VAL 507 14.921 13.947 13.396 268 HG21 VAL 507 3HG2 VAL 507 12.687 15.045 12.943 269 HG22 VAL 507 1HG2 VAL 507 11.965 14.953 11.326 270 HG23 VAL 507 2HG2 VAL 507 12.046 13.508 12.324 271 H LEU 508 H LEU 508 16.933 15.670 12.079 272 HA LEU 508 HA LEU 508 18.584 14.661 9.789 273 HB2 LEU 508 1HB LEU 508 19.182 16.473 12.159 274 HB3 LEU 508 2HB LEU 508 20.374 15.982 10.957 275 HG LEU 508 HG LEU 508 17.855 17.560 10.242 276 HD11 LEU 508 1HD1 LEU 508 19.114 18.887 11.787 277 HD12 LEU 508 2HD1 LEU 508 19.472 19.489 10.156 278 HD13 LEU 508 3HD1 LEU 508 20.654 18.475 10.983 279 HD21 LEU 508 3HD2 LEU 508 20.486 17.114 8.757 280 HD22 LEU 508 1HD2 LEU 508 19.123 18.119 8.216 281 HD23 LEU 508 2HD2 LEU 508 18.922 16.372 8.343 282 H ASP 509 H ASP 509 17.939 14.236 13.254 283 HA ASP 509 HA ASP 509 19.329 11.650 13.228 284 HB2 ASP 509 1HB ASP 509 21.017 13.498 13.860 285 HB3 ASP 509 2HB ASP 509 20.080 13.712 15.337 286 H ASP 510 H ASP 510 18.437 10.226 14.630 287 HA ASP 510 HA ASP 510 16.319 11.063 16.542 288 HB2 ASP 510 1HB ASP 510 14.817 9.330 15.554 289 HB3 ASP 510 2HB ASP 510 15.140 10.693 14.505 290 H SER 511 H SER 511 19.124 9.917 16.765 291 HA SER 511 HA SER 511 19.085 7.183 17.494 292 HB2 SER 511 1HB SER 511 21.069 8.621 16.939 293 HB3 SER 511 2HB SER 511 20.941 9.354 18.545 294 HG SER 511 HG SER 511 21.214 7.198 19.401 295 H ARG 512 H ARG 512 18.035 9.913 19.400 296 HA ARG 512 HA ARG 512 17.459 8.222 21.788 297 HB2 ARG 512 1HB ARG 512 18.790 10.973 21.894 298 HB3 ARG 512 2HB ARG 512 18.325 9.966 23.266 299 HG2 ARG 512 1HG ARG 512 19.989 8.227 22.478 300 HG3 ARG 512 2HG ARG 512 20.527 9.394 21.250 301 HD2 ARG 512 1HD ARG 512 20.952 11.042 23.128 302 HD3 ARG 512 2HD ARG 512 20.632 9.719 24.268 303 HE ARG 512 HE ARG 512 22.623 8.950 22.316 304 HH11 ARG 512 1HH1 ARG 512 22.328 10.859 25.245 305 HH12 ARG 512 2HH1 ARG 512 24.039 10.761 25.584 306 HH21 ARG 512 1HH2 ARG 512 24.790 8.889 22.795 307 HH22 ARG 512 2HH2 ARG 512 25.388 9.677 24.231 308 H LYS 513 H LYS 513 16.111 9.778 23.392 309 HA LYS 513 HA LYS 513 13.655 10.513 22.187 310 HB2 LYS 513 1HB LYS 513 13.707 10.055 24.519 311 HB3 LYS 513 2HB LYS 513 14.943 11.285 24.831 312 HG2 LYS 513 1HG LYS 513 13.386 13.088 24.406 313 HG3 LYS 513 2HG LYS 513 12.141 11.957 23.845 314 HD2 LYS 513 1HD LYS 513 11.912 11.028 26.086 315 HD3 LYS 513 2HD LYS 513 13.256 12.036 26.678 316 HE2 LYS 513 1HE LYS 513 12.010 14.083 26.141 317 HE3 LYS 513 2HE LYS 513 10.694 13.138 25.427 318 HZ1 LYS 513 3HZ LYS 513 11.485 13.034 28.293 319 HZ2 LYS 513 1HZ LYS 513 10.247 12.199 27.622 320 HZ3 LYS 513 2HZ LYS 513 10.185 13.828 27.707 321 H TRP 514 H TRP 514 16.454 12.581 22.854 322 HA TRP 514 HA TRP 514 15.125 15.000 21.863 323 HB2 TRP 514 1HB TRP 514 17.979 14.438 22.719 324 HB3 TRP 514 2HB TRP 514 17.389 15.995 22.172 325 HD1 TRP 514 HD1 TRP 514 17.165 13.629 25.157 326 HE1 TRP 514 HE1 TRP 514 16.077 14.836 27.147 327 HE3 TRP 514 HE3 TRP 514 15.804 17.970 22.817 328 HZ2 TRP 514 HZ2 TRP 514 14.717 17.343 27.638 329 HZ3 TRP 514 HZ3 TRP 514 14.634 19.770 24.075 330 HH2 TRP 514 HH2 TRP 514 14.069 19.458 26.471 331 H TRP 515 H TRP 515 14.473 14.456 19.800 332 HA TRP 515 HA TRP 515 16.286 13.593 17.691 333 HB2 TRP 515 1HB TRP 515 13.510 14.846 17.695 334 HB3 TRP 515 2HB TRP 515 14.392 14.474 16.221 335 HD1 TRP 515 HD1 TRP 515 14.706 11.929 18.973 336 HE1 TRP 515 HE1 TRP 515 13.512 9.767 18.340 337 HE3 TRP 515 HE3 TRP 515 12.143 13.622 14.885 338 HZ2 TRP 515 HZ2 TRP 515 11.702 8.859 16.293 339 HZ3 TRP 515 HZ3 TRP 515 10.688 12.061 13.597 340 HH2 TRP 515 HH2 TRP 515 10.477 9.689 14.276 341 H LYS 516 H LYS 516 17.251 14.789 16.114 342 HA LYS 516 HA LYS 516 17.613 17.719 16.660 343 HB2 LYS 516 1HB LYS 516 19.647 16.109 16.571 344 HB3 LYS 516 2HB LYS 516 19.340 16.022 14.831 345 HG2 LYS 516 1HG LYS 516 19.458 18.588 14.799 346 HG3 LYS 516 2HG LYS 516 19.905 18.516 16.506 347 HD2 LYS 516 1HD LYS 516 21.923 18.773 15.283 348 HD3 LYS 516 2HD LYS 516 21.899 17.090 15.838 349 HE2 LYS 516 1HE LYS 516 21.132 16.343 13.610 350 HE3 LYS 516 2HE LYS 516 21.024 18.032 13.076 351 HZ1 LYS 516 3HZ LYS 516 23.096 16.992 12.340 352 HZ2 LYS 516 1HZ LYS 516 23.553 16.696 13.884 353 HZ3 LYS 516 2HZ LYS 516 23.400 18.241 13.341 354 H VAL 517 H VAL 517 16.764 19.122 15.282 355 HA VAL 517 HA VAL 517 15.887 18.220 12.572 356 HB VAL 517 HB VAL 517 13.774 19.267 12.792 357 HG11 VAL 517 1HG1 VAL 517 12.614 17.807 14.308 358 HG12 VAL 517 2HG1 VAL 517 13.963 16.907 13.604 359 HG13 VAL 517 3HG1 VAL 517 14.080 17.522 15.264 360 HG21 VAL 517 3HG2 VAL 517 12.929 20.070 15.043 361 HG22 VAL 517 1HG2 VAL 517 14.598 20.040 15.623 362 HG23 VAL 517 2HG2 VAL 517 14.135 21.126 14.292 363 H ARG 518 H ARG 518 15.401 19.913 11.098 364 HA ARG 518 HA ARG 518 16.942 22.444 11.574 365 HB2 ARG 518 1HB ARG 518 17.961 21.000 9.988 366 HB3 ARG 518 2HB ARG 518 16.488 20.843 9.033 367 HG2 ARG 518 1HG ARG 518 16.732 22.901 8.041 368 HG3 ARG 518 2HG ARG 518 17.492 23.632 9.451 369 HD2 ARG 518 1HD ARG 518 19.064 23.433 7.585 370 HD3 ARG 518 2HD ARG 518 19.598 22.523 9.009 371 HE ARG 518 HE ARG 518 18.141 20.750 7.332 372 HH11 ARG 518 1HH1 ARG 518 21.228 22.412 7.289 373 HH12 ARG 518 2HH1 ARG 518 21.950 21.235 6.222 374 HH21 ARG 518 1HH2 ARG 518 19.117 19.292 5.970 375 HH22 ARG 518 2HH2 ARG 518 20.783 19.513 5.505 376 H ASP 519 H ASP 519 15.800 24.091 11.888 377 HA ASP 519 HA ASP 519 13.026 24.522 11.131 378 HB2 ASP 519 1HB ASP 519 13.520 26.788 12.152 379 HB3 ASP 519 2HB ASP 519 13.848 25.421 13.205 380 HA PRO 520 HA PRO 520 13.631 26.434 7.210 381 HB2 PRO 520 1HB PRO 520 11.663 28.326 7.038 382 HB3 PRO 520 2HB PRO 520 11.336 26.568 7.111 383 HG2 PRO 520 1HG PRO 520 11.329 28.540 9.419 384 HG3 PRO 520 2HG PRO 520 10.042 27.382 8.944 385 HD2 PRO 520 1HD PRO 520 11.833 26.759 10.867 386 HD3 PRO 520 2HD PRO 520 11.328 25.523 9.684 387 H ALA 521 H ALA 521 14.308 28.365 9.993 388 HA ALA 521 HA ALA 521 15.168 30.768 8.551 389 HB1 ALA 521 1HB ALA 521 14.425 30.806 10.949 390 HB2 ALA 521 2HB ALA 521 15.882 29.872 11.375 391 HB3 ALA 521 3HB ALA 521 16.043 31.488 10.687 392 H GLY 522 H GLY 522 16.477 27.619 9.158 393 HA2 GLY 522 1HA GLY 522 18.255 26.797 7.796 394 HA3 GLY 522 2HA GLY 522 19.020 28.387 7.803 395 H GLN 523 H GLN 523 17.836 27.286 10.890 396 HA GLN 523 HA GLN 523 20.630 26.758 11.803 397 HB2 GLN 523 1HB GLN 523 18.277 27.403 13.581 398 HB3 GLN 523 2HB GLN 523 20.000 27.507 13.932 399 HG2 GLN 523 1HG GLN 523 20.062 29.380 12.131 400 HG3 GLN 523 2HG GLN 523 18.306 29.360 12.215 401 HE21 GLN 523 2HE2 GLN 523 21.116 30.725 13.611 402 HE22 GLN 523 1HE2 GLN 523 20.340 31.379 15.048 403 H GLU 524 H GLU 524 20.315 25.343 14.050 404 HA GLU 524 HA GLU 524 18.531 23.027 13.630 405 HB2 GLU 524 1HB GLU 524 21.557 22.796 13.867 406 HB3 GLU 524 2HB GLU 524 20.443 21.458 14.155 407 HG2 GLU 524 1HG GLU 524 19.709 21.485 11.828 408 HG3 GLU 524 2HG GLU 524 20.680 22.925 11.503 409 H GLY 525 H GLY 525 18.128 21.852 15.562 410 HA2 GLY 525 1HA GLY 525 19.677 22.223 17.962 411 HA3 GLY 525 2HA GLY 525 18.152 23.101 18.071 412 H TYR 526 H TYR 526 18.805 21.104 19.828 413 HA TYR 526 HA TYR 526 17.373 18.640 19.118 414 HB2 TYR 526 1HB TYR 526 18.691 19.646 21.666 415 HB3 TYR 526 2HB TYR 526 17.886 18.093 21.527 416 HD1 TYR 526 HD2 TYR 526 18.639 16.539 19.537 417 HD2 TYR 526 HD1 TYR 526 21.032 19.734 21.178 418 HE1 TYR 526 HE2 TYR 526 20.690 15.473 18.619 419 HE2 TYR 526 HE1 TYR 526 23.078 18.683 20.241 420 HH TYR 526 HH TYR 526 23.930 16.938 19.044 421 H VAL 527 H VAL 527 15.407 17.996 19.775 422 HA VAL 527 HA VAL 527 13.773 19.485 21.726 423 HB VAL 527 HB VAL 527 11.812 19.375 20.029 424 HG11 VAL 527 1HG1 VAL 527 12.768 21.475 20.926 425 HG12 VAL 527 2HG1 VAL 527 13.907 21.514 19.560 426 HG13 VAL 527 3HG1 VAL 527 12.162 21.624 19.272 427 HG21 VAL 527 3HG2 VAL 527 12.317 19.688 17.691 428 HG22 VAL 527 1HG2 VAL 527 14.060 19.581 17.989 429 HG23 VAL 527 2HG2 VAL 527 13.035 18.153 18.229 430 HA PRO 528 HA PRO 528 12.424 15.327 22.489 431 HB2 PRO 528 1HB PRO 528 9.969 15.665 23.682 432 HB3 PRO 528 2HB PRO 528 11.522 16.071 24.468 433 HG2 PRO 528 1HG PRO 528 9.586 17.951 23.094 434 HG3 PRO 528 2HG PRO 528 10.451 18.171 24.640 435 HD2 PRO 528 1HD PRO 528 11.305 19.256 22.266 436 HD3 PRO 528 2HD PRO 528 12.427 18.762 23.563 437 H TYR 529 H TYR 529 11.578 13.736 21.182 438 HA TYR 529 HA TYR 529 10.019 14.313 18.891 439 HB2 TYR 529 1HB TYR 529 10.004 12.051 18.425 440 HB3 TYR 529 2HB TYR 529 11.489 12.287 19.320 441 HD1 TYR 529 HD1 TYR 529 11.700 11.414 21.639 442 HD2 TYR 529 HD2 TYR 529 8.166 10.698 19.293 443 HE1 TYR 529 HE1 TYR 529 11.022 9.615 23.229 444 HE2 TYR 529 HE2 TYR 529 7.477 8.905 20.875 445 HH TYR 529 HH TYR 529 8.002 7.747 22.773 446 H ASN 530 H ASN 530 8.880 13.874 22.145 447 HA ASN 530 HA ASN 530 6.280 12.869 21.698 448 HB2 ASN 530 1HB ASN 530 7.375 12.912 23.882 449 HB3 ASN 530 2HB ASN 530 7.400 14.680 23.884 450 HD21 ASN 530 2HD2 ASN 530 5.268 11.824 24.132 451 HD22 ASN 530 1HD2 ASN 530 3.933 12.719 24.847 452 H ILE 531 H ILE 531 7.332 16.326 21.727 453 HA ILE 531 HA ILE 531 4.587 17.258 21.210 454 HB ILE 531 HB ILE 531 5.493 19.474 21.044 455 HG12 ILE 531 1HG1 ILE 531 8.265 18.234 21.254 456 HG13 ILE 531 2HG1 ILE 531 7.585 19.027 19.834 457 HG21 ILE 531 1HG2 ILE 531 6.164 19.746 23.325 458 HG22 ILE 531 2HG2 ILE 531 5.053 18.378 23.271 459 HG23 ILE 531 3HG2 ILE 531 6.800 18.088 23.416 460 HD11 ILE 531 3HD1 ILE 531 9.093 20.543 20.917 461 HD12 ILE 531 1HD1 ILE 531 7.432 21.148 21.080 462 HD13 ILE 531 2HD1 ILE 531 8.251 20.375 22.467 463 H LEU 532 H LEU 532 7.224 16.196 19.277 464 HA LEU 532 HA LEU 532 6.273 17.408 16.766 465 HB2 LEU 532 1HB LEU 532 8.388 15.291 17.346 466 HB3 LEU 532 2HB LEU 532 8.092 16.034 15.781 467 HG LEU 532 HG LEU 532 9.063 17.526 18.266 468 HD11 LEU 532 1HD1 LEU 532 10.809 16.092 17.475 469 HD12 LEU 532 2HD1 LEU 532 11.168 17.722 16.891 470 HD13 LEU 532 3HD1 LEU 532 10.493 16.522 15.784 471 HD21 LEU 532 3HD2 LEU 532 7.796 19.036 16.821 472 HD22 LEU 532 1HD2 LEU 532 8.693 18.467 15.390 473 HD23 LEU 532 2HD2 LEU 532 9.520 19.378 16.678 474 H THR 533 H THR 533 5.781 15.981 14.930 475 HA THR 533 HA THR 533 4.467 13.394 15.548 476 HB THR 533 HB THR 533 2.519 14.167 14.023 477 HG1 THR 533 HG1 THR 533 3.741 16.610 14.607 478 HG21 THR 533 3HG2 THR 533 2.124 13.691 16.347 479 HG22 THR 533 1HG2 THR 533 1.249 15.163 15.889 480 HG23 THR 533 2HG2 THR 533 2.752 15.275 16.833 481 HA PRO 534 HA PRO 534 6.498 12.122 12.009 482 HB2 PRO 534 1HB PRO 534 4.987 10.049 11.000 483 HB3 PRO 534 2HB PRO 534 5.781 10.019 12.597 484 HG2 PRO 534 1HG PRO 534 2.911 10.803 11.978 485 HG3 PRO 534 2HG PRO 534 3.491 9.583 13.163 486 HD2 PRO 534 1HD PRO 534 2.912 12.075 13.958 487 HD3 PRO 534 2HD PRO 534 4.369 11.259 14.592 488 H TYR 535 H TYR 535 4.350 14.311 11.388 489 HA TYR 535 HA TYR 535 3.201 15.275 9.711 490 HB2 TYR 535 1HB TYR 535 5.736 15.648 9.361 491 HB3 TYR 535 2HB TYR 535 5.528 14.741 7.885 492 HD1 TYR 535 HD1 TYR 535 2.913 15.687 6.809 493 HD2 TYR 535 HD2 TYR 535 5.974 17.891 8.919 494 HE1 TYR 535 HE1 TYR 535 2.083 17.784 5.811 495 HE2 TYR 535 HE2 TYR 535 5.089 20.001 7.953 496 HH TYR 535 HH TYR 535 2.320 20.061 5.704 497 HA PRO 536 HA PRO 536 1.583 11.413 7.677 498 HB2 PRO 536 1HB PRO 536 -1.027 11.673 8.470 499 HB3 PRO 536 2HB PRO 536 0.233 10.883 9.467 500 HG2 PRO 536 1HG PRO 536 -0.787 13.727 9.666 501 HG3 PRO 536 2HG PRO 536 -0.522 12.548 10.990 502 HD2 PRO 536 1HD PRO 536 1.294 14.484 10.352 503 HD3 PRO 536 2HD PRO 536 1.814 12.876 10.930 504 H ALA 537 H ALA 537 0.306 11.354 5.801 505 HA ALA 537 HA ALA 537 -0.160 14.009 4.506 506 HB1 ALA 537 1HB ALA 537 1.956 12.975 3.852 507 HB2 ALA 537 2HB ALA 537 1.103 11.494 3.352 508 HB3 ALA 537 3HB ALA 537 0.824 13.026 2.489 509 H ALA 538 H ALA 538 -2.284 13.125 5.710 510 HA ALA 538 HA ALA 538 -4.132 12.304 3.535 511 HB1 ALA 538 1HB ALA 538 -4.049 11.062 6.326 512 HB2 ALA 538 2HB ALA 538 -5.268 10.737 5.075 513 HB3 ALA 538 3HB ALA 538 -3.581 10.247 4.816 514 H ALA 539 H ALA 539 -6.101 13.302 3.620 515 HA ALA 539 HA ALA 539 -6.551 15.509 5.512 516 HB1 ALA 539 1HB ALA 539 -7.061 15.752 3.111 517 HB2 ALA 539 2HB ALA 539 -8.226 14.411 3.210 518 HB3 ALA 539 3HB ALA 539 -8.525 15.924 4.092 519 H SER 540 H SER 540 -8.610 15.717 6.655 520 HA SER 540 HA SER 540 -9.800 13.157 7.668 521 HB2 SER 540 1HB SER 540 -8.134 14.180 9.255 522 HB3 SER 540 2HB SER 540 -9.180 15.611 9.349 523 HG SER 540 HG SER 540 -9.661 14.082 11.005 Start of MODEL 20 1 H1 GLY 473 H GLY 473 14.131 2.314 -12.747 2 HA2 GLY 473 1HA GLY 473 11.345 3.221 -12.518 3 HA3 GLY 473 2HA GLY 473 12.392 3.025 -11.102 4 HA PRO 474 HA PRO 474 13.173 7.318 -12.923 5 HB2 PRO 474 1HB PRO 474 11.901 8.845 -11.042 6 HB3 PRO 474 2HB PRO 474 11.080 8.203 -12.496 7 HG2 PRO 474 1HG PRO 474 11.085 7.040 -9.696 8 HG3 PRO 474 2HG PRO 474 9.680 7.330 -10.772 9 HD2 PRO 474 1HD PRO 474 10.875 4.885 -10.562 10 HD3 PRO 474 2HD PRO 474 10.208 5.472 -12.118 11 H LEU 475 H LEU 475 14.537 8.916 -11.861 12 HA LEU 475 HA LEU 475 15.849 8.096 -9.326 13 HB2 LEU 475 1HB LEU 475 16.929 7.131 -11.512 14 HB3 LEU 475 2HB LEU 475 17.497 8.757 -11.789 15 HG LEU 475 HG LEU 475 19.233 7.455 -10.794 16 HD11 LEU 475 1HD1 LEU 475 19.855 8.669 -8.805 17 HD12 LEU 475 2HD1 LEU 475 18.186 9.202 -8.533 18 HD13 LEU 475 3HD1 LEU 475 19.095 9.788 -9.948 19 HD21 LEU 475 3HD2 LEU 475 17.798 5.717 -9.747 20 HD22 LEU 475 1HD2 LEU 475 17.430 6.840 -8.420 21 HD23 LEU 475 2HD2 LEU 475 19.095 6.289 -8.686 22 H GLY 476 H GLY 476 14.822 9.825 -8.367 23 HA2 GLY 476 1HA GLY 476 16.043 12.435 -8.473 24 HA3 GLY 476 2HA GLY 476 14.528 12.425 -9.385 25 H SER 477 H SER 477 15.522 10.862 -6.303 26 HA SER 477 HA SER 477 13.257 12.234 -4.881 27 HB2 SER 477 1HB SER 477 12.873 9.793 -5.212 28 HB3 SER 477 2HB SER 477 14.384 9.463 -4.347 29 HG SER 477 HG SER 477 11.924 10.396 -3.392 30 H GLY 478 H GLY 478 13.782 13.384 -3.129 31 HA2 GLY 478 1HA GLY 478 16.550 13.773 -2.316 32 HA3 GLY 478 2HA GLY 478 15.109 14.525 -1.623 33 H ALA 479 H ALA 479 14.061 11.606 -1.266 34 HA ALA 479 HA ALA 479 13.637 10.340 0.540 35 HB1 ALA 479 1HB ALA 479 15.575 9.221 -0.505 36 HB2 ALA 479 2HB ALA 479 16.667 10.087 0.601 37 HB3 ALA 479 3HB ALA 479 15.488 8.921 1.240 38 H LEU 480 H LEU 480 13.877 13.197 1.201 39 HA LEU 480 HA LEU 480 15.078 13.497 3.821 40 HB2 LEU 480 1HB LEU 480 12.992 15.149 2.322 41 HB3 LEU 480 2HB LEU 480 13.739 15.637 3.837 42 HG LEU 480 HG LEU 480 15.248 15.200 1.225 43 HD11 LEU 480 1HD1 LEU 480 15.476 17.644 1.224 44 HD12 LEU 480 2HD1 LEU 480 14.493 17.756 2.701 45 HD13 LEU 480 3HD1 LEU 480 13.771 17.172 1.181 46 HD21 LEU 480 3HD2 LEU 480 16.172 16.275 3.929 47 HD22 LEU 480 1HD2 LEU 480 17.115 16.347 2.426 48 HD23 LEU 480 2HD2 LEU 480 16.729 14.780 3.137 49 H LYS 481 H LYS 481 13.915 14.120 5.737 50 HA LYS 481 HA LYS 481 11.250 12.842 6.156 51 HB2 LYS 481 1HB LYS 481 13.759 12.538 7.861 52 HB3 LYS 481 2HB LYS 481 12.151 12.197 8.477 53 HG2 LYS 481 1HG LYS 481 13.358 10.825 6.042 54 HG3 LYS 481 2HG LYS 481 13.494 10.187 7.667 55 HD2 LYS 481 1HD LYS 481 10.716 10.743 6.567 56 HD3 LYS 481 2HD LYS 481 11.628 9.366 5.982 57 HE2 LYS 481 1HE LYS 481 10.255 8.548 7.708 58 HE3 LYS 481 2HE LYS 481 11.914 8.522 8.301 59 HZ1 LYS 481 3HZ LYS 481 11.422 10.505 9.612 60 HZ2 LYS 481 1HZ LYS 481 10.311 9.363 9.945 61 HZ3 LYS 481 2HZ LYS 481 9.901 10.613 8.982 62 H TRP 482 H TRP 482 9.879 13.982 7.231 63 HA TRP 482 HA TRP 482 10.666 16.468 8.674 64 HB2 TRP 482 1HB TRP 482 8.491 16.174 6.566 65 HB3 TRP 482 2HB TRP 482 8.691 17.563 7.610 66 HD1 TRP 482 HD1 TRP 482 10.638 15.746 4.816 67 HE1 TRP 482 HE1 TRP 482 11.903 17.484 3.416 68 HE3 TRP 482 HE3 TRP 482 9.666 19.922 7.626 69 HZ2 TRP 482 HZ2 TRP 482 12.404 20.312 3.484 70 HZ3 TRP 482 HZ3 TRP 482 10.553 22.133 6.931 71 HH2 TRP 482 HH2 TRP 482 11.918 22.346 4.864 72 H VAL 483 H VAL 483 9.158 17.196 10.177 73 HA VAL 483 HA VAL 483 7.002 15.339 11.067 74 HB VAL 483 HB VAL 483 7.771 15.828 13.446 75 HG11 VAL 483 1HG1 VAL 483 7.958 13.626 12.373 76 HG12 VAL 483 2HG1 VAL 483 9.545 14.067 11.721 77 HG13 VAL 483 3HG1 VAL 483 9.300 13.938 13.480 78 HG21 VAL 483 3HG2 VAL 483 10.400 16.541 12.086 79 HG22 VAL 483 1HG2 VAL 483 9.419 17.578 13.138 80 HG23 VAL 483 2HG2 VAL 483 10.205 16.131 13.789 81 H LEU 484 H LEU 484 5.231 16.287 11.738 82 HA LEU 484 HA LEU 484 5.053 19.238 11.655 83 HB2 LEU 484 1HB LEU 484 3.327 17.580 10.593 84 HB3 LEU 484 2HB LEU 484 2.830 17.247 12.244 85 HG LEU 484 HG LEU 484 2.334 19.709 12.547 86 HD11 LEU 484 1HD1 LEU 484 2.946 19.822 9.562 87 HD12 LEU 484 2HD1 LEU 484 3.747 20.746 10.855 88 HD13 LEU 484 3HD1 LEU 484 2.067 21.079 10.459 89 HD21 LEU 484 3HD2 LEU 484 0.274 19.691 11.215 90 HD22 LEU 484 1HD2 LEU 484 0.565 18.101 11.935 91 HD23 LEU 484 2HD2 LEU 484 0.912 18.369 10.214 92 H CYS 485 H CYS 485 4.894 20.460 13.523 93 HA CYS 485 HA CYS 485 5.312 19.209 16.118 94 HB2 CYS 485 1HB CYS 485 5.993 21.582 15.231 95 HB3 CYS 485 2HB CYS 485 4.334 22.025 15.631 96 HG CYS 485 HG CYS 485 6.099 22.725 17.521 97 H ASN 486 H ASN 486 3.779 19.418 17.938 98 HA ASN 486 HA ASN 486 0.900 19.846 17.219 99 HB2 ASN 486 1HB ASN 486 2.195 17.386 18.254 100 HB3 ASN 486 2HB ASN 486 0.867 17.944 19.260 101 HD21 ASN 486 2HD2 ASN 486 1.147 18.153 15.660 102 HD22 ASN 486 1HD2 ASN 486 -0.252 17.118 15.393 103 H TYR 487 H TYR 487 3.484 20.551 19.420 104 HA TYR 487 HA TYR 487 1.693 22.387 20.906 105 HB2 TYR 487 1HB TYR 487 3.609 20.466 22.291 106 HB3 TYR 487 2HB TYR 487 2.580 21.663 23.057 107 HD1 TYR 487 HD2 TYR 487 0.056 21.350 23.043 108 HD2 TYR 487 HD1 TYR 487 2.774 18.292 21.679 109 HE1 TYR 487 HE2 TYR 487 -1.776 19.658 23.164 110 HE2 TYR 487 HE1 TYR 487 0.954 16.603 21.808 111 HH TYR 487 HH TYR 487 -1.249 16.234 22.260 112 H ASP 488 H ASP 488 2.662 24.365 21.063 113 HA ASP 488 HA ASP 488 5.250 24.875 19.962 114 HB2 ASP 488 1HB ASP 488 4.927 27.129 20.569 115 HB3 ASP 488 2HB ASP 488 3.354 26.512 20.083 116 H PHE 489 H PHE 489 7.156 25.686 20.940 117 HA PHE 489 HA PHE 489 7.671 25.148 23.808 118 HB2 PHE 489 1HB PHE 489 7.926 22.962 22.782 119 HB3 PHE 489 2HB PHE 489 8.902 23.619 21.487 120 HD1 PHE 489 HD2 PHE 489 8.873 23.083 25.206 121 HD2 PHE 489 HD1 PHE 489 11.251 23.567 21.640 122 HE1 PHE 489 HE2 PHE 489 10.924 22.514 26.491 123 HE2 PHE 489 HE1 PHE 489 13.282 22.936 22.915 124 HZ PHE 489 HZ PHE 489 13.133 22.444 25.346 125 H GLN 490 H GLN 490 9.367 26.298 24.604 126 HA GLN 490 HA GLN 490 10.998 27.960 22.753 127 HB2 GLN 490 1HB GLN 490 10.792 29.845 24.311 128 HB3 GLN 490 2HB GLN 490 9.351 29.465 23.387 129 HG2 GLN 490 1HG GLN 490 9.663 28.419 26.218 130 HG3 GLN 490 2HG GLN 490 9.167 30.082 25.921 131 HE21 GLN 490 2HE2 GLN 490 7.152 30.424 24.568 132 HE22 GLN 490 1HE2 GLN 490 5.923 29.163 24.614 133 H ALA 491 H ALA 491 12.678 26.720 22.897 134 HA ALA 491 HA ALA 491 14.154 25.947 25.263 135 HB1 ALA 491 1HB ALA 491 14.533 24.666 23.382 136 HB2 ALA 491 2HB ALA 491 14.630 26.061 22.284 137 HB3 ALA 491 3HB ALA 491 15.939 25.727 23.433 138 H ARG 492 H ARG 492 15.621 27.930 22.764 139 HA ARG 492 HA ARG 492 17.406 29.323 22.875 140 HB2 ARG 492 1HB ARG 492 15.583 30.963 24.677 141 HB3 ARG 492 2HB ARG 492 16.922 31.545 23.676 142 HG2 ARG 492 1HG ARG 492 15.593 30.445 21.691 143 HG3 ARG 492 2HG ARG 492 14.212 30.501 22.789 144 HD2 ARG 492 1HD ARG 492 15.910 32.873 21.903 145 HD3 ARG 492 2HD ARG 492 14.341 32.417 21.226 146 HE ARG 492 HE ARG 492 14.020 32.777 24.037 147 HH11 ARG 492 1HH1 ARG 492 14.620 34.739 21.188 148 HH12 ARG 492 2HH1 ARG 492 13.873 36.153 21.889 149 HH21 ARG 492 1HH2 ARG 492 13.082 34.630 24.871 150 HH22 ARG 492 2HH2 ARG 492 13.032 36.086 23.911 151 H ASN 493 H ASN 493 17.817 27.177 24.597 152 HA ASN 493 HA ASN 493 19.006 28.305 27.079 153 HB2 ASN 493 1HB ASN 493 18.359 25.465 26.215 154 HB3 ASN 493 2HB ASN 493 19.162 25.870 27.725 155 HD21 ASN 493 2HD2 ASN 493 16.374 24.758 26.775 156 HD22 ASN 493 1HD2 ASN 493 15.300 25.603 27.902 157 H SER 494 H SER 494 20.096 25.507 25.145 158 HA SER 494 HA SER 494 22.667 26.641 24.338 159 HB2 SER 494 1HB SER 494 22.494 24.616 26.617 160 HB3 SER 494 2HB SER 494 23.955 24.859 25.644 161 HG SER 494 HG SER 494 22.714 27.113 26.737 162 H SER 495 H SER 495 22.843 25.775 22.348 163 HA SER 495 HA SER 495 22.577 24.461 20.530 164 HB2 SER 495 1HB SER 495 22.912 22.080 22.380 165 HB3 SER 495 2HB SER 495 23.160 22.122 20.629 166 HG SER 495 HG SER 495 24.619 23.587 22.579 167 H GLU 496 H GLU 496 20.143 25.248 21.901 168 HA GLU 496 HA GLU 496 18.214 23.183 20.883 169 HB2 GLU 496 1HB GLU 496 17.971 24.873 23.396 170 HB3 GLU 496 2HB GLU 496 16.711 23.835 22.693 171 HG2 GLU 496 1HG GLU 496 17.749 21.869 23.284 172 HG3 GLU 496 2HG GLU 496 19.308 22.628 23.581 173 H LEU 497 H LEU 497 16.089 24.102 20.300 174 HA LEU 497 HA LEU 497 16.071 26.983 19.555 175 HB2 LEU 497 1HB LEU 497 17.158 25.530 17.726 176 HB3 LEU 497 2HB LEU 497 15.597 24.738 17.562 177 HG LEU 497 HG LEU 497 14.880 27.415 17.351 178 HD11 LEU 497 1HD1 LEU 497 16.468 28.528 15.883 179 HD12 LEU 497 2HD1 LEU 497 17.575 27.143 15.959 180 HD13 LEU 497 3HD1 LEU 497 17.264 28.120 17.413 181 HD21 LEU 497 3HD2 LEU 497 14.111 25.684 15.861 182 HD22 LEU 497 1HD2 LEU 497 15.735 25.496 15.172 183 HD23 LEU 497 2HD2 LEU 497 14.813 26.999 14.903 184 H SER 498 H SER 498 14.031 27.862 19.441 185 HA SER 498 HA SER 498 11.774 26.453 20.574 186 HB2 SER 498 1HB SER 498 10.575 28.575 20.057 187 HB3 SER 498 2HB SER 498 12.071 28.816 20.960 188 HG SER 498 HG SER 498 11.697 29.229 18.168 189 H VAL 499 H VAL 499 9.722 26.088 19.609 190 HA VAL 499 HA VAL 499 9.473 26.065 16.662 191 HB VAL 499 HB VAL 499 8.558 23.788 16.597 192 HG11 VAL 499 1HG1 VAL 499 11.422 23.758 17.610 193 HG12 VAL 499 2HG1 VAL 499 10.630 22.551 16.581 194 HG13 VAL 499 3HG1 VAL 499 10.921 24.186 15.960 195 HG21 VAL 499 3HG2 VAL 499 8.940 22.154 18.347 196 HG22 VAL 499 1HG2 VAL 499 9.726 23.369 19.373 197 HG23 VAL 499 2HG2 VAL 499 7.985 23.483 19.013 198 H LYS 500 H LYS 500 7.275 25.663 15.936 199 HA LYS 500 HA LYS 500 5.166 26.609 17.870 200 HB2 LYS 500 1HB LYS 500 5.545 27.209 14.902 201 HB3 LYS 500 2HB LYS 500 4.159 27.730 15.844 202 HG2 LYS 500 1HG LYS 500 6.995 28.560 16.556 203 HG3 LYS 500 2HG LYS 500 6.005 29.417 15.369 204 HD2 LYS 500 1HD LYS 500 4.278 29.873 17.069 205 HD3 LYS 500 2HD LYS 500 5.199 28.958 18.271 206 HE2 LYS 500 1HE LYS 500 5.564 31.322 18.626 207 HE3 LYS 500 2HE LYS 500 7.069 30.562 18.105 208 HZ1 LYS 500 3HZ LYS 500 6.650 32.680 16.965 209 HZ2 LYS 500 1HZ LYS 500 5.256 32.124 16.330 210 HZ3 LYS 500 2HZ LYS 500 6.688 31.468 15.877 211 H GLN 501 H GLN 501 3.094 25.820 17.556 212 HA GLN 501 HA GLN 501 2.779 23.087 16.873 213 HB2 GLN 501 1HB GLN 501 1.360 24.315 18.448 214 HB3 GLN 501 2HB GLN 501 0.740 25.334 17.145 215 HG2 GLN 501 1HG GLN 501 -0.374 23.377 16.115 216 HG3 GLN 501 2HG GLN 501 0.290 22.327 17.368 217 HE21 GLN 501 2HE2 GLN 501 -0.674 22.431 19.518 218 HE22 GLN 501 1HE2 GLN 501 -2.133 23.378 19.812 219 H ARG 502 H ARG 502 2.517 25.882 14.845 220 HA ARG 502 HA ARG 502 1.338 24.340 12.579 221 HB2 ARG 502 1HB ARG 502 0.696 26.517 11.669 222 HB3 ARG 502 2HB ARG 502 0.059 26.264 13.291 223 HG2 ARG 502 1HG ARG 502 1.849 27.709 14.238 224 HG3 ARG 502 2HG ARG 502 2.506 27.964 12.610 225 HD2 ARG 502 1HD ARG 502 0.400 29.013 11.900 226 HD3 ARG 502 2HD ARG 502 -0.331 28.700 13.471 227 HE ARG 502 HE ARG 502 1.593 30.804 12.767 228 HH11 ARG 502 1HH1 ARG 502 0.167 29.119 15.511 229 HH12 ARG 502 2HH1 ARG 502 0.583 30.405 16.614 230 HH21 ARG 502 1HH2 ARG 502 2.050 32.397 14.227 231 HH22 ARG 502 2HH2 ARG 502 1.601 32.210 15.902 232 H ASP 503 H ASP 503 4.343 24.700 13.528 233 HA ASP 503 HA ASP 503 5.435 25.257 10.780 234 HB2 ASP 503 1HB ASP 503 6.731 25.451 13.516 235 HB3 ASP 503 2HB ASP 503 7.648 25.357 12.017 236 H VAL 504 H VAL 504 5.980 23.579 9.633 237 HA VAL 504 HA VAL 504 6.535 20.925 10.814 238 HB VAL 504 HB VAL 504 5.214 21.231 8.704 239 HG11 VAL 504 1HG1 VAL 504 6.298 21.608 6.585 240 HG12 VAL 504 2HG1 VAL 504 6.583 23.010 7.623 241 HG13 VAL 504 3HG1 VAL 504 7.876 21.823 7.361 242 HG21 VAL 504 3HG2 VAL 504 6.292 19.345 7.504 243 HG22 VAL 504 1HG2 VAL 504 7.689 19.486 8.591 244 HG23 VAL 504 2HG2 VAL 504 6.090 19.073 9.237 245 H LEU 505 H LEU 505 8.552 20.011 10.967 246 HA LEU 505 HA LEU 505 10.963 21.669 10.297 247 HB2 LEU 505 1HB LEU 505 10.149 20.291 12.884 248 HB3 LEU 505 2HB LEU 505 11.831 20.412 12.461 249 HG LEU 505 HG LEU 505 11.335 22.101 14.014 250 HD11 LEU 505 1HD1 LEU 505 12.169 24.075 12.919 251 HD12 LEU 505 2HD1 LEU 505 11.658 23.482 11.329 252 HD13 LEU 505 3HD1 LEU 505 12.956 22.651 12.220 253 HD21 LEU 505 3HD2 LEU 505 8.907 22.405 13.576 254 HD22 LEU 505 1HD2 LEU 505 9.321 23.365 12.139 255 HD23 LEU 505 2HD2 LEU 505 9.806 23.924 13.740 256 H GLU 506 H GLU 506 12.951 20.439 10.021 257 HA GLU 506 HA GLU 506 12.510 17.818 8.711 258 HB2 GLU 506 1HB GLU 506 15.069 19.419 9.073 259 HB3 GLU 506 2HB GLU 506 14.850 17.961 8.091 260 HG2 GLU 506 1HG GLU 506 13.177 19.158 6.713 261 HG3 GLU 506 2HG GLU 506 13.530 20.653 7.591 262 H VAL 507 H VAL 507 14.162 16.053 9.188 263 HA VAL 507 HA VAL 507 14.777 15.875 12.124 264 HB VAL 507 HB VAL 507 13.857 13.601 10.323 265 HG11 VAL 507 1HG1 VAL 507 13.695 12.346 12.470 266 HG12 VAL 507 2HG1 VAL 507 15.356 12.815 12.120 267 HG13 VAL 507 3HG1 VAL 507 14.414 13.722 13.329 268 HG21 VAL 507 3HG2 VAL 507 11.952 15.067 10.816 269 HG22 VAL 507 1HG2 VAL 507 11.828 13.569 11.738 270 HG23 VAL 507 2HG2 VAL 507 12.370 15.057 12.547 271 H LEU 508 H LEU 508 16.785 15.505 12.604 272 HA LEU 508 HA LEU 508 18.740 14.474 10.566 273 HB2 LEU 508 1HB LEU 508 19.181 16.342 12.922 274 HB3 LEU 508 2HB LEU 508 20.386 15.864 11.739 275 HG LEU 508 HG LEU 508 17.903 17.522 11.073 276 HD11 LEU 508 1HD1 LEU 508 19.191 18.822 12.559 277 HD12 LEU 508 2HD1 LEU 508 19.675 19.375 10.955 278 HD13 LEU 508 3HD1 LEU 508 20.735 18.283 11.845 279 HD21 LEU 508 3HD2 LEU 508 18.892 16.294 9.141 280 HD22 LEU 508 1HD2 LEU 508 20.467 17.038 9.499 281 HD23 LEU 508 2HD2 LEU 508 19.075 18.044 9.010 282 H ASP 509 H ASP 509 17.561 14.202 13.870 283 HA ASP 509 HA ASP 509 19.003 11.621 14.167 284 HB2 ASP 509 1HB ASP 509 20.310 13.353 15.396 285 HB3 ASP 509 2HB ASP 509 18.868 13.769 16.320 286 H ASP 510 H ASP 510 17.669 10.087 14.808 287 HA ASP 510 HA ASP 510 15.066 10.698 16.095 288 HB2 ASP 510 1HB ASP 510 13.960 9.091 14.574 289 HB3 ASP 510 2HB ASP 510 14.596 10.505 13.758 290 H SER 511 H SER 511 17.838 9.371 16.813 291 HA SER 511 HA SER 511 16.948 6.683 17.703 292 HB2 SER 511 1HB SER 511 19.119 7.042 16.532 293 HB3 SER 511 2HB SER 511 19.658 8.049 17.885 294 HG SER 511 HG SER 511 18.983 5.281 17.920 295 H ARG 512 H ARG 512 17.816 9.817 19.130 296 HA ARG 512 HA ARG 512 17.606 8.736 21.915 297 HB2 ARG 512 1HB ARG 512 18.576 11.448 20.895 298 HB3 ARG 512 2HB ARG 512 18.575 10.913 22.579 299 HG2 ARG 512 1HG ARG 512 20.072 8.974 21.879 300 HG3 ARG 512 2HG ARG 512 20.238 9.778 20.303 301 HD2 ARG 512 1HD ARG 512 21.083 11.822 21.475 302 HD3 ARG 512 2HD ARG 512 20.949 10.957 23.021 303 HE ARG 512 HE ARG 512 22.577 9.572 21.017 304 HH11 ARG 512 1HH1 ARG 512 22.769 11.961 23.591 305 HH12 ARG 512 2HH1 ARG 512 24.483 11.712 23.804 306 HH21 ARG 512 1HH2 ARG 512 24.755 9.332 21.337 307 HH22 ARG 512 2HH2 ARG 512 25.571 10.275 22.555 308 H LYS 513 H LYS 513 16.628 10.369 23.503 309 HA LYS 513 HA LYS 513 13.852 10.925 22.816 310 HB2 LYS 513 1HB LYS 513 13.690 11.870 25.098 311 HB3 LYS 513 2HB LYS 513 14.286 10.222 25.071 312 HG2 LYS 513 1HG LYS 513 16.322 12.439 25.096 313 HG3 LYS 513 2HG LYS 513 15.397 12.183 26.566 314 HD2 LYS 513 1HD LYS 513 16.257 10.029 26.923 315 HD3 LYS 513 2HD LYS 513 16.774 9.824 25.248 316 HE2 LYS 513 1HE LYS 513 18.456 11.672 25.575 317 HE3 LYS 513 2HE LYS 513 18.002 11.735 27.284 318 HZ1 LYS 513 3HZ LYS 513 18.732 9.418 27.493 319 HZ2 LYS 513 1HZ LYS 513 19.956 10.327 26.915 320 HZ3 LYS 513 2HZ LYS 513 19.129 9.343 25.909 321 H TRP 514 H TRP 514 16.746 12.872 22.808 322 HA TRP 514 HA TRP 514 15.189 15.348 22.183 323 HB2 TRP 514 1HB TRP 514 18.088 14.918 22.962 324 HB3 TRP 514 2HB TRP 514 17.450 16.426 22.342 325 HD1 TRP 514 HD1 TRP 514 17.462 14.295 25.475 326 HE1 TRP 514 HE1 TRP 514 16.423 15.586 27.436 327 HE3 TRP 514 HE3 TRP 514 15.894 18.451 22.952 328 HZ2 TRP 514 HZ2 TRP 514 15.046 18.094 27.845 329 HZ3 TRP 514 HZ3 TRP 514 14.785 20.321 24.161 330 HH2 TRP 514 HH2 TRP 514 14.329 20.139 26.596 331 H TRP 515 H TRP 515 14.508 14.901 20.122 332 HA TRP 515 HA TRP 515 16.281 13.920 18.012 333 HB2 TRP 515 1HB TRP 515 13.512 15.190 17.991 334 HB3 TRP 515 2HB TRP 515 14.401 14.809 16.530 335 HD1 TRP 515 HD1 TRP 515 14.649 12.280 19.324 336 HE1 TRP 515 HE1 TRP 515 13.404 10.148 18.717 337 HE3 TRP 515 HE3 TRP 515 12.353 13.917 15.050 338 HZ2 TRP 515 HZ2 TRP 515 11.656 9.229 16.601 339 HZ3 TRP 515 HZ3 TRP 515 10.950 12.352 13.720 340 HH2 TRP 515 HH2 TRP 515 10.583 10.023 14.486 341 H LYS 516 H LYS 516 17.273 15.051 16.458 342 HA LYS 516 HA LYS 516 17.772 17.964 16.946 343 HB2 LYS 516 1HB LYS 516 19.671 16.269 16.880 344 HB3 LYS 516 2HB LYS 516 19.293 16.000 15.185 345 HG2 LYS 516 1HG LYS 516 19.720 18.432 14.742 346 HG3 LYS 516 2HG LYS 516 20.137 18.654 16.451 347 HD2 LYS 516 1HD LYS 516 22.044 17.128 16.244 348 HD3 LYS 516 2HD LYS 516 21.521 16.635 14.630 349 HE2 LYS 516 1HE LYS 516 23.279 18.099 14.195 350 HE3 LYS 516 2HE LYS 516 21.821 19.034 13.873 351 HZ1 LYS 516 3HZ LYS 516 23.572 19.233 16.268 352 HZ2 LYS 516 1HZ LYS 516 22.128 20.009 16.161 353 HZ3 LYS 516 2HZ LYS 516 23.329 20.361 15.095 354 H VAL 517 H VAL 517 16.863 19.390 15.623 355 HA VAL 517 HA VAL 517 15.749 18.492 12.972 356 HB VAL 517 HB VAL 517 13.907 19.924 13.232 357 HG11 VAL 517 1HG1 VAL 517 12.628 18.814 14.953 358 HG12 VAL 517 2HG1 VAL 517 13.742 17.634 14.251 359 HG13 VAL 517 3HG1 VAL 517 14.099 18.351 15.833 360 HG21 VAL 517 3HG2 VAL 517 14.779 21.791 14.537 361 HG22 VAL 517 1HG2 VAL 517 13.321 21.142 15.288 362 HG23 VAL 517 2HG2 VAL 517 14.908 20.754 15.975 363 H ARG 518 H ARG 518 15.548 20.122 11.369 364 HA ARG 518 HA ARG 518 17.512 22.388 11.602 365 HB2 ARG 518 1HB ARG 518 18.045 20.399 9.983 366 HB3 ARG 518 2HB ARG 518 16.756 21.047 8.986 367 HG2 ARG 518 1HG ARG 518 18.007 23.327 9.184 368 HG3 ARG 518 2HG ARG 518 19.368 22.386 9.798 369 HD2 ARG 518 1HD ARG 518 17.981 22.085 7.108 370 HD3 ARG 518 2HD ARG 518 19.565 22.821 7.386 371 HE ARG 518 HE ARG 518 19.942 20.305 8.389 372 HH11 ARG 518 1HH1 ARG 518 18.762 21.406 5.276 373 HH12 ARG 518 2HH1 ARG 518 19.355 19.993 4.442 374 HH21 ARG 518 1HH2 ARG 518 20.615 18.482 7.261 375 HH22 ARG 518 2HH2 ARG 518 20.352 18.387 5.542 376 H ASP 519 H ASP 519 16.465 24.223 11.719 377 HA ASP 519 HA ASP 519 13.747 24.684 10.740 378 HB2 ASP 519 1HB ASP 519 14.245 27.026 11.545 379 HB3 ASP 519 2HB ASP 519 14.428 25.768 12.758 380 HA PRO 520 HA PRO 520 14.715 26.132 6.705 381 HB2 PRO 520 1HB PRO 520 12.890 28.135 6.227 382 HB3 PRO 520 2HB PRO 520 12.476 26.400 6.371 383 HG2 PRO 520 1HG PRO 520 12.330 28.518 8.538 384 HG3 PRO 520 2HG PRO 520 11.055 27.354 8.041 385 HD2 PRO 520 1HD PRO 520 12.643 26.839 10.148 386 HD3 PRO 520 2HD PRO 520 12.218 25.530 9.013 387 H ALA 521 H ALA 521 15.334 28.312 9.311 388 HA ALA 521 HA ALA 521 16.483 30.463 7.678 389 HB1 ALA 521 1HB ALA 521 15.522 30.827 9.985 390 HB2 ALA 521 2HB ALA 521 16.911 29.922 10.644 391 HB3 ALA 521 3HB ALA 521 17.181 31.423 9.767 392 H GLY 522 H GLY 522 17.524 27.350 8.803 393 HA2 GLY 522 1HA GLY 522 19.401 26.255 7.830 394 HA3 GLY 522 2HA GLY 522 20.238 27.802 7.656 395 H GLN 523 H GLN 523 18.712 27.378 10.731 396 HA GLN 523 HA GLN 523 21.317 26.787 12.052 397 HB2 GLN 523 1HB GLN 523 18.751 27.653 13.415 398 HB3 GLN 523 2HB GLN 523 20.386 27.657 14.046 399 HG2 GLN 523 1HG GLN 523 20.872 29.380 12.129 400 HG3 GLN 523 2HG GLN 523 19.128 29.507 11.983 401 HE21 GLN 523 2HE2 GLN 523 20.909 31.672 12.723 402 HE22 GLN 523 1HE2 GLN 523 20.462 32.143 14.358 403 H GLU 524 H GLU 524 20.570 25.537 14.312 404 HA GLU 524 HA GLU 524 18.850 23.204 13.725 405 HB2 GLU 524 1HB GLU 524 21.766 23.016 14.536 406 HB3 GLU 524 2HB GLU 524 20.639 21.662 14.613 407 HG2 GLU 524 1HG GLU 524 20.383 21.649 12.199 408 HG3 GLU 524 2HG GLU 524 21.407 23.084 12.033 409 H GLY 525 H GLY 525 18.183 22.099 15.655 410 HA2 GLY 525 1HA GLY 525 19.378 22.802 18.223 411 HA3 GLY 525 2HA GLY 525 17.721 23.382 18.054 412 H TYR 526 H TYR 526 18.936 21.373 19.852 413 HA TYR 526 HA TYR 526 17.495 18.890 19.287 414 HB2 TYR 526 1HB TYR 526 18.855 20.038 21.752 415 HB3 TYR 526 2HB TYR 526 18.040 18.487 21.733 416 HD1 TYR 526 HD2 TYR 526 18.736 16.836 19.761 417 HD2 TYR 526 HD1 TYR 526 21.194 20.033 21.293 418 HE1 TYR 526 HE2 TYR 526 20.752 15.697 18.878 419 HE2 TYR 526 HE1 TYR 526 23.220 18.913 20.368 420 HH TYR 526 HH TYR 526 23.027 15.795 18.622 421 H VAL 527 H VAL 527 15.498 18.325 19.904 422 HA VAL 527 HA VAL 527 13.895 19.882 21.845 423 HB VAL 527 HB VAL 527 11.917 19.688 20.199 424 HG11 VAL 527 1HG1 VAL 527 12.280 21.872 19.267 425 HG12 VAL 527 2HG1 VAL 527 12.923 21.827 20.909 426 HG13 VAL 527 3HG1 VAL 527 14.032 21.753 19.525 427 HG21 VAL 527 3HG2 VAL 527 12.373 19.838 17.829 428 HG22 VAL 527 1HG2 VAL 527 14.119 19.714 18.099 429 HG23 VAL 527 2HG2 VAL 527 13.071 18.329 18.453 430 HA PRO 528 HA PRO 528 12.627 15.755 22.856 431 HB2 PRO 528 1HB PRO 528 10.136 16.099 23.982 432 HB3 PRO 528 2HB PRO 528 11.673 16.539 24.783 433 HG2 PRO 528 1HG PRO 528 9.755 18.355 23.306 434 HG3 PRO 528 2HG PRO 528 10.589 18.640 24.859 435 HD2 PRO 528 1HD PRO 528 11.483 19.657 22.474 436 HD3 PRO 528 2HD PRO 528 12.591 19.186 23.792 437 H TYR 529 H TYR 529 11.731 14.038 21.712 438 HA TYR 529 HA TYR 529 10.285 14.545 19.288 439 HB2 TYR 529 1HB TYR 529 10.292 12.260 18.905 440 HB3 TYR 529 2HB TYR 529 11.761 12.564 19.811 441 HD1 TYR 529 HD2 TYR 529 11.974 11.804 22.152 442 HD2 TYR 529 HD1 TYR 529 8.490 10.872 19.811 443 HE1 TYR 529 HE2 TYR 529 11.372 10.023 23.790 444 HE2 TYR 529 HE1 TYR 529 7.870 9.097 21.444 445 HH TYR 529 HH TYR 529 8.441 8.013 23.374 446 H ASN 530 H ASN 530 9.100 14.152 22.533 447 HA ASN 530 HA ASN 530 6.550 13.047 21.997 448 HB2 ASN 530 1HB ASN 530 7.783 13.130 24.189 449 HB3 ASN 530 2HB ASN 530 7.422 14.855 24.290 450 HD21 ASN 530 2HD2 ASN 530 6.160 14.697 26.185 451 HD22 ASN 530 1HD2 ASN 530 4.621 13.845 26.209 452 H ILE 531 H ILE 531 7.567 16.476 21.922 453 HA ILE 531 HA ILE 531 4.802 17.420 21.525 454 HB ILE 531 HB ILE 531 5.711 19.623 21.256 455 HG12 ILE 531 1HG1 ILE 531 8.482 18.387 21.410 456 HG13 ILE 531 2HG1 ILE 531 7.754 19.093 19.970 457 HG21 ILE 531 1HG2 ILE 531 6.532 19.948 23.500 458 HG22 ILE 531 2HG2 ILE 531 5.360 18.630 23.532 459 HG23 ILE 531 3HG2 ILE 531 7.098 18.268 23.606 460 HD11 ILE 531 3HD1 ILE 531 8.527 20.584 22.492 461 HD12 ILE 531 1HD1 ILE 531 9.293 20.673 20.898 462 HD13 ILE 531 2HD1 ILE 531 7.640 21.288 21.112 463 H LEU 532 H LEU 532 7.252 16.164 19.527 464 HA LEU 532 HA LEU 532 6.220 17.341 17.008 465 HB2 LEU 532 1HB LEU 532 8.470 15.350 17.511 466 HB3 LEU 532 2HB LEU 532 8.093 16.124 15.978 467 HG LEU 532 HG LEU 532 9.120 17.542 18.480 468 HD11 LEU 532 1HD1 LEU 532 11.162 17.852 17.179 469 HD12 LEU 532 2HD1 LEU 532 10.471 16.963 15.820 470 HD13 LEU 532 3HD1 LEU 532 10.804 16.129 17.355 471 HD21 LEU 532 3HD2 LEU 532 7.715 19.086 17.204 472 HD22 LEU 532 1HD2 LEU 532 8.539 18.634 15.691 473 HD23 LEU 532 2HD2 LEU 532 9.413 19.501 16.973 474 H THR 533 H THR 533 5.697 15.850 15.242 475 HA THR 533 HA THR 533 4.851 13.101 15.914 476 HB THR 533 HB THR 533 2.623 13.600 14.673 477 HG1 THR 533 HG1 THR 533 3.599 16.071 14.806 478 HG21 THR 533 3HG2 THR 533 2.768 12.994 17.082 479 HG22 THR 533 1HG2 THR 533 1.417 14.068 16.688 480 HG23 THR 533 2HG2 THR 533 2.860 14.725 17.482 481 HA PRO 534 HA PRO 534 6.103 12.437 11.674 482 HB2 PRO 534 1HB PRO 534 4.377 10.467 10.812 483 HB3 PRO 534 2HB PRO 534 5.756 10.178 11.914 484 HG2 PRO 534 1HG PRO 534 2.848 10.624 12.651 485 HG3 PRO 534 2HG PRO 534 3.952 9.333 13.230 486 HD2 PRO 534 1HD PRO 534 3.502 11.553 14.702 487 HD3 PRO 534 2HD PRO 534 5.144 10.853 14.608 488 H TYR 535 H TYR 535 5.389 12.799 9.482 489 HA TYR 535 HA TYR 535 2.815 14.293 9.226 490 HB2 TYR 535 1HB TYR 535 4.817 15.757 9.328 491 HB3 TYR 535 2HB TYR 535 5.412 15.004 7.858 492 HD1 TYR 535 HD2 TYR 535 2.036 16.319 9.018 493 HD2 TYR 535 HD1 TYR 535 5.163 16.485 6.039 494 HE1 TYR 535 HE2 TYR 535 0.729 17.994 7.745 495 HE2 TYR 535 HE1 TYR 535 3.847 18.182 4.773 496 HH TYR 535 HH TYR 535 0.660 19.343 5.916 497 HA PRO 536 HA PRO 536 2.867 10.663 6.364 498 HB2 PRO 536 1HB PRO 536 0.504 9.511 7.042 499 HB3 PRO 536 2HB PRO 536 1.943 9.414 8.089 500 HG2 PRO 536 1HG PRO 536 -0.341 11.413 8.299 501 HG3 PRO 536 2HG PRO 536 0.314 10.346 9.586 502 HD2 PRO 536 1HD PRO 536 1.153 12.923 9.307 503 HD3 PRO 536 2HD PRO 536 2.271 11.611 9.777 504 H ALA 537 H ALA 537 2.704 12.902 5.113 505 HA ALA 537 HA ALA 537 0.257 13.766 3.947 506 HB1 ALA 537 1HB ALA 537 3.111 13.841 2.866 507 HB2 ALA 537 2HB ALA 537 1.757 14.845 2.306 508 HB3 ALA 537 3HB ALA 537 2.379 15.043 3.955 509 H ALA 538 H ALA 538 -0.559 13.482 1.827 510 HA ALA 538 HA ALA 538 -0.004 10.836 0.528 511 HB1 ALA 538 1HB ALA 538 -2.629 12.353 0.801 512 HB2 ALA 538 2HB ALA 538 -2.402 10.776 0.015 513 HB3 ALA 538 3HB ALA 538 -2.138 10.937 1.762 514 H ALA 539 H ALA 539 0.215 14.160 -0.017 515 HA ALA 539 HA ALA 539 0.217 13.840 -2.993 516 HB1 ALA 539 1HB ALA 539 -1.510 15.406 -2.112 517 HB2 ALA 539 2HB ALA 539 -0.226 16.356 -1.332 518 HB3 ALA 539 3HB ALA 539 -0.294 16.226 -3.101 519 H SER 540 H SER 540 1.719 15.831 -3.828 520 HA SER 540 HA SER 540 4.334 15.862 -2.416 521 HB2 SER 540 1HB SER 540 5.532 15.260 -4.458 522 HB3 SER 540 2HB SER 540 4.469 13.952 -3.916 523 HG SER 540 HG SER 540 4.317 14.382 -6.200
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