NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
539940 | 2lru | 18398 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 475 HT1 GLY 475 -4.146 14.869 6.057 2 H2 GLY 475 HT2 GLY 475 -3.574 16.457 5.944 3 H3 GLY 475 HT3 GLY 475 -2.702 15.305 6.819 4 HA2 GLY 475 HA1 GLY 475 -2.238 14.063 4.814 5 HA3 GLY 475 HA2 GLY 475 -3.179 15.229 3.895 6 H ALA 476 HN ALA 476 -0.456 14.582 3.398 7 HA ALA 476 HA ALA 476 1.136 16.731 4.507 8 HB1 ALA 476 HB1 ALA 476 1.833 14.676 2.414 9 HB2 ALA 476 HB2 ALA 476 2.152 14.540 4.141 10 HB3 ALA 476 HB3 ALA 476 2.961 15.784 3.191 11 H MET 477 HN MET 477 0.543 18.682 3.767 12 HA MET 477 HA MET 477 -0.080 19.122 0.974 13 HB2 MET 477 HB2 MET 477 -1.284 20.379 2.710 14 HB3 MET 477 HB1 MET 477 0.230 21.092 3.248 15 HG2 MET 477 HG2 MET 477 0.486 22.140 1.028 16 HG3 MET 477 HG1 MET 477 -1.087 21.492 0.571 17 HE1 MET 477 HE1 MET 477 -2.735 21.834 3.304 18 HE2 MET 477 HE2 MET 477 -3.364 22.213 1.701 19 HE3 MET 477 HE3 MET 477 -3.493 23.396 3.002 20 H ASP 478 HN ASP 478 2.581 19.620 3.181 21 HA ASP 478 HA ASP 478 4.103 21.196 1.304 22 HB2 ASP 478 HB2 ASP 478 5.839 21.222 2.977 23 HB3 ASP 478 HB1 ASP 478 4.297 21.528 3.762 24 HA PRO 479 HA PRO 479 5.881 17.819 -0.975 25 HB2 PRO 479 HB2 PRO 479 8.055 19.781 -1.431 26 HB3 PRO 479 HB1 PRO 479 7.067 18.904 -2.605 27 HG2 PRO 479 HG2 PRO 479 6.687 21.499 -2.171 28 HG3 PRO 479 HG1 PRO 479 5.312 20.409 -2.435 29 HD2 PRO 479 HD2 PRO 479 6.357 21.546 0.133 30 HD3 PRO 479 HD1 PRO 479 4.682 21.344 -0.414 31 H GLN 480 HN GLN 480 6.341 17.388 1.670 32 HA GLN 480 HA GLN 480 9.229 17.031 1.946 33 HB2 GLN 480 HB2 GLN 480 8.029 17.771 3.939 34 HB3 GLN 480 HB1 GLN 480 6.969 16.373 3.840 35 HG2 GLN 480 HG2 GLN 480 8.870 14.894 4.238 36 HG3 GLN 480 HG1 GLN 480 9.936 16.296 4.332 37 HE21 GLN 480 HE21 GLN 480 7.397 14.513 5.908 38 HE22 GLN 480 HE22 GLN 480 7.582 15.244 7.462 39 H GLU 481 HN GLU 481 6.345 14.989 2.350 40 HA GLU 481 HA GLU 481 5.978 12.777 2.011 41 HB2 GLU 481 HB2 GLU 481 7.765 13.289 -0.377 42 HB3 GLU 481 HB1 GLU 481 6.705 11.899 -0.179 43 HG2 GLU 481 HG2 GLU 481 4.761 13.360 -0.173 44 HG3 GLU 481 HG1 GLU 481 5.807 14.770 -0.328 45 H GLU 482 HN GLU 482 7.376 12.600 4.015 46 HA GLU 482 HA GLU 482 10.071 11.709 3.724 47 HB2 GLU 482 HB2 GLU 482 10.006 11.272 6.112 48 HB3 GLU 482 HB1 GLU 482 9.284 12.835 5.767 49 HG2 GLU 482 HG2 GLU 482 7.117 12.051 6.181 50 HG3 GLU 482 HG1 GLU 482 7.620 10.363 6.090 51 H THR 483 HN THR 483 6.977 10.159 3.764 52 HA THR 483 HA THR 483 7.889 7.541 4.374 53 HB THR 483 HB THR 483 5.438 8.149 2.727 54 HG1 THR 483 HG1 THR 483 4.404 8.325 4.882 55 HG21 THR 483 HG21 THR 483 6.011 6.076 4.847 56 HG22 THR 483 HG22 THR 483 6.051 5.795 3.106 57 HG23 THR 483 HG23 THR 483 4.532 6.214 3.898 58 H GLY 484 HN GLY 484 9.100 6.267 3.107 59 HA2 GLY 484 HA2 GLY 484 9.604 7.043 0.366 60 HA3 GLY 484 HA1 GLY 484 10.390 5.737 1.241 61 H VAL 485 HN VAL 485 6.940 5.941 1.145 62 HA VAL 485 HA VAL 485 6.674 4.148 -1.111 63 HB VAL 485 HB VAL 485 5.090 2.732 0.402 64 HG11 VAL 485 HG11 VAL 485 8.071 2.383 0.597 65 HG12 VAL 485 HG12 VAL 485 7.064 1.861 -0.755 66 HG13 VAL 485 HG13 VAL 485 6.846 1.135 0.841 67 HG21 VAL 485 HG21 VAL 485 7.016 3.873 2.399 68 HG22 VAL 485 HG22 VAL 485 5.979 2.474 2.691 69 HG23 VAL 485 HG23 VAL 485 5.261 4.057 2.378 70 H ARG 486 HN ARG 486 4.533 3.976 -1.833 71 HA ARG 486 HA ARG 486 2.413 5.421 -0.547 72 HB2 ARG 486 HB2 ARG 486 3.479 7.306 -1.557 73 HB3 ARG 486 HB1 ARG 486 3.662 6.468 -3.090 74 HG2 ARG 486 HG2 ARG 486 1.889 8.137 -3.179 75 HG3 ARG 486 HG1 ARG 486 1.251 6.510 -3.414 76 HD2 ARG 486 HD2 ARG 486 0.518 6.442 -1.093 77 HD3 ARG 486 HD1 ARG 486 1.194 8.052 -0.822 78 HE ARG 486 HE ARG 486 -0.729 7.940 -2.972 79 HH11 ARG 486 HH11 ARG 486 -0.318 8.265 0.494 80 HH12 ARG 486 HH12 ARG 486 -1.780 9.168 0.715 81 HH21 ARG 486 HH21 ARG 486 -2.670 9.119 -2.683 82 HH22 ARG 486 HH22 ARG 486 -3.121 9.663 -1.096 83 H VAL 487 HN VAL 487 0.475 4.630 -1.158 84 HA VAL 487 HA VAL 487 0.545 2.640 -3.324 85 HB VAL 487 HB VAL 487 -1.205 2.660 -0.863 86 HG11 VAL 487 HG11 VAL 487 -1.947 0.455 -1.609 87 HG12 VAL 487 HG12 VAL 487 -0.978 0.622 -3.074 88 HG13 VAL 487 HG13 VAL 487 -2.350 1.695 -2.798 89 HG21 VAL 487 HG21 VAL 487 0.091 0.672 -0.243 90 HG22 VAL 487 HG22 VAL 487 1.097 2.116 -0.367 91 HG23 VAL 487 HG23 VAL 487 1.111 0.917 -1.660 92 H GLU 488 HN GLU 488 -0.785 2.815 -4.947 93 HA GLU 488 HA GLU 488 -2.947 4.827 -4.833 94 HB2 GLU 488 HB2 GLU 488 -1.110 4.154 -7.145 95 HB3 GLU 488 HB1 GLU 488 -2.512 5.205 -7.264 96 HG2 GLU 488 HG2 GLU 488 -0.103 5.705 -5.531 97 HG3 GLU 488 HG1 GLU 488 -0.405 6.445 -7.101 98 H LEU 489 HN LEU 489 -4.651 4.442 -6.442 99 HA LEU 489 HA LEU 489 -5.460 1.670 -6.391 100 HB2 LEU 489 HB2 LEU 489 -6.825 4.127 -7.476 101 HB3 LEU 489 HB1 LEU 489 -7.553 2.538 -7.371 102 HG LEU 489 HG LEU 489 -6.611 4.110 -4.974 103 HD11 LEU 489 HD11 LEU 489 -8.420 5.279 -6.143 104 HD12 LEU 489 HD12 LEU 489 -8.979 4.606 -4.612 105 HD13 LEU 489 HD13 LEU 489 -9.387 3.803 -6.128 106 HD21 LEU 489 HD21 LEU 489 -7.931 2.526 -3.712 107 HD22 LEU 489 HD22 LEU 489 -6.760 1.655 -4.701 108 HD23 LEU 489 HD23 LEU 489 -8.449 1.724 -5.196 109 H ALA 490 HN ALA 490 -5.635 0.336 -8.116 110 HA ALA 490 HA ALA 490 -4.240 0.979 -10.543 111 HB1 ALA 490 HB1 ALA 490 -4.863 -1.279 -11.234 112 HB2 ALA 490 HB2 ALA 490 -5.955 -1.406 -9.855 113 HB3 ALA 490 HB3 ALA 490 -4.215 -1.278 -9.594 114 H GLU 491 HN GLU 491 -7.390 1.274 -9.372 115 HA GLU 491 HA GLU 491 -8.332 2.226 -11.977 116 HB2 GLU 491 HB2 GLU 491 -10.643 1.324 -11.006 117 HB3 GLU 491 HB1 GLU 491 -9.586 0.312 -11.977 118 HG2 GLU 491 HG2 GLU 491 -10.348 -0.958 -10.108 119 HG3 GLU 491 HG1 GLU 491 -8.633 -0.621 -9.891 120 H GLU 492 HN GLU 492 -10.817 3.122 -11.082 121 HA GLU 492 HA GLU 492 -10.005 5.057 -9.020 122 HB2 GLU 492 HB2 GLU 492 -11.900 5.418 -11.341 123 HB3 GLU 492 HB1 GLU 492 -11.721 6.583 -10.035 124 HG2 GLU 492 HG2 GLU 492 -9.297 6.734 -10.604 125 HG3 GLU 492 HG1 GLU 492 -9.625 5.727 -12.012 126 H ASP 493 HN ASP 493 -10.708 3.959 -7.255 127 HA ASP 493 HA ASP 493 -13.168 2.629 -7.025 128 HB2 ASP 493 HB2 ASP 493 -11.398 2.126 -5.468 129 HB3 ASP 493 HB1 ASP 493 -11.381 3.790 -4.888 130 H ASP 494 HN ASP 494 -15.154 3.349 -6.795 131 HA ASP 494 HA ASP 494 -15.706 5.797 -5.347 132 HB2 ASP 494 HB2 ASP 494 -16.961 6.854 -7.141 133 HB3 ASP 494 HB1 ASP 494 -15.311 6.567 -7.677 134 H GLY 495 HN GLY 495 -16.282 2.752 -5.481 135 HA2 GLY 495 HA2 GLY 495 -19.219 2.980 -5.416 136 HA3 GLY 495 HA1 GLY 495 -18.380 1.545 -5.978 137 H GLU 496 HN GLU 496 -18.517 -0.028 -4.614 138 HA GLU 496 HA GLU 496 -18.191 0.444 -1.748 139 HB2 GLU 496 HB2 GLU 496 -20.567 -0.880 -3.045 140 HB3 GLU 496 HB1 GLU 496 -20.148 -1.149 -1.359 141 HG2 GLU 496 HG2 GLU 496 -20.419 1.232 -0.909 142 HG3 GLU 496 HG1 GLU 496 -20.812 1.511 -2.605 143 H LYS 497 HN LYS 497 -17.109 -1.028 -4.334 144 HA LYS 497 HA LYS 497 -16.980 -3.734 -3.995 145 HB2 LYS 497 HB2 LYS 497 -14.699 -3.468 -5.099 146 HB3 LYS 497 HB1 LYS 497 -16.078 -2.815 -5.957 147 HG2 LYS 497 HG2 LYS 497 -15.503 -0.582 -4.964 148 HG3 LYS 497 HG1 LYS 497 -14.013 -1.310 -4.374 149 HD2 LYS 497 HD2 LYS 497 -14.867 -1.156 -7.260 150 HD3 LYS 497 HD1 LYS 497 -13.686 -0.103 -6.486 151 HE2 LYS 497 HE2 LYS 497 -12.280 -2.061 -6.013 152 HE3 LYS 497 HE1 LYS 497 -13.454 -3.089 -6.830 153 HZ1 LYS 497 HZ1 LYS 497 -11.631 -2.531 -8.292 154 HZ2 LYS 497 HZ2 LYS 497 -11.912 -0.874 -8.075 155 HZ3 LYS 497 HZ3 LYS 497 -13.063 -1.837 -8.864 156 H ILE 498 HN ILE 498 -16.192 -5.042 -2.519 157 HA ILE 498 HA ILE 498 -14.915 -3.976 -0.191 158 HB ILE 498 HB ILE 498 -15.626 -6.796 -0.958 159 HG12 ILE 498 HG12 ILE 498 -17.493 -5.200 -0.560 160 HG13 ILE 498 HG11 ILE 498 -17.438 -6.519 0.593 161 HG21 ILE 498 HG21 ILE 498 -14.604 -5.750 1.680 162 HG22 ILE 498 HG22 ILE 498 -13.730 -6.816 0.579 163 HG23 ILE 498 HG23 ILE 498 -15.195 -7.383 1.380 164 HD11 ILE 498 HD11 ILE 498 -16.488 -3.715 1.068 165 HD12 ILE 498 HD12 ILE 498 -16.371 -5.044 2.224 166 HD13 ILE 498 HD13 ILE 498 -17.954 -4.454 1.713 167 H ALA 499 HN ALA 499 -13.983 -5.645 -3.065 168 HA ALA 499 HA ALA 499 -11.228 -5.784 -2.057 169 HB1 ALA 499 HB1 ALA 499 -10.908 -7.602 -3.698 170 HB2 ALA 499 HB2 ALA 499 -12.637 -7.516 -4.062 171 HB3 ALA 499 HB3 ALA 499 -12.096 -7.967 -2.444 172 H ILE 500 HN ILE 500 -9.816 -4.529 -2.988 173 HA ILE 500 HA ILE 500 -10.480 -3.291 -5.581 174 HB ILE 500 HB ILE 500 -9.338 -1.308 -4.856 175 HG12 ILE 500 HG12 ILE 500 -8.672 -2.876 -2.356 176 HG13 ILE 500 HG11 ILE 500 -7.536 -2.261 -3.551 177 HG21 ILE 500 HG21 ILE 500 -11.651 -1.486 -4.206 178 HG22 ILE 500 HG22 ILE 500 -10.744 -0.646 -2.948 179 HG23 ILE 500 HG23 ILE 500 -11.192 -2.339 -2.733 180 HD11 ILE 500 HD11 ILE 500 -8.099 0.016 -2.925 181 HD12 ILE 500 HD12 ILE 500 -7.533 -0.911 -1.535 182 HD13 ILE 500 HD13 ILE 500 -9.254 -0.590 -1.741 183 H LYS 501 HN LYS 501 -8.259 -2.215 -6.399 184 HA LYS 501 HA LYS 501 -6.109 -4.184 -6.063 185 HB2 LYS 501 HB2 LYS 501 -7.258 -4.660 -8.186 186 HB3 LYS 501 HB1 LYS 501 -6.979 -3.004 -8.706 187 HG2 LYS 501 HG2 LYS 501 -4.591 -3.367 -8.713 188 HG3 LYS 501 HG1 LYS 501 -4.809 -4.995 -8.072 189 HD2 LYS 501 HD2 LYS 501 -6.020 -4.100 -10.678 190 HD3 LYS 501 HD1 LYS 501 -4.401 -4.793 -10.572 191 HE2 LYS 501 HE2 LYS 501 -6.932 -6.142 -9.637 192 HE3 LYS 501 HE1 LYS 501 -6.121 -6.460 -11.168 193 HZ1 LYS 501 HZ1 LYS 501 -4.123 -7.087 -9.829 194 HZ2 LYS 501 HZ2 LYS 501 -5.452 -8.124 -9.654 195 HZ3 LYS 501 HZ3 LYS 501 -5.095 -7.004 -8.438 196 H LEU 502 HN LEU 502 -4.364 -3.250 -5.341 197 HA LEU 502 HA LEU 502 -3.997 -0.358 -5.775 198 HB2 LEU 502 HB2 LEU 502 -3.067 -2.132 -3.513 199 HB3 LEU 502 HB1 LEU 502 -2.725 -0.420 -3.657 200 HG LEU 502 HG LEU 502 -5.537 -1.472 -3.489 201 HD11 LEU 502 HD11 LEU 502 -3.744 -0.586 -1.234 202 HD12 LEU 502 HD12 LEU 502 -4.316 -2.230 -1.518 203 HD13 LEU 502 HD13 LEU 502 -5.463 -0.956 -1.105 204 HD21 LEU 502 HD21 LEU 502 -6.085 0.766 -2.887 205 HD22 LEU 502 HD22 LEU 502 -5.084 0.839 -4.340 206 HD23 LEU 502 HD23 LEU 502 -4.384 1.213 -2.765 207 H TRP 503 HN TRP 503 -1.841 0.400 -6.133 208 HA TRP 503 HA TRP 503 0.162 -1.704 -6.610 209 HB2 TRP 503 HB2 TRP 503 -0.134 0.969 -7.970 210 HB3 TRP 503 HB1 TRP 503 1.309 -0.025 -8.092 211 HD1 TRP 503 HD1 TRP 503 -2.462 -0.481 -8.759 212 HE1 TRP 503 HE1 TRP 503 -2.743 -1.786 -10.963 213 HE3 TRP 503 HE3 TRP 503 2.438 -1.425 -9.756 214 HZ2 TRP 503 HZ2 TRP 503 -1.098 -3.074 -12.845 215 HZ3 TRP 503 HZ3 TRP 503 3.002 -2.722 -11.758 216 HH2 TRP 503 HH2 TRP 503 1.277 -3.531 -13.273 217 H LEU 504 HN LEU 504 1.650 -1.752 -5.094 218 HA LEU 504 HA LEU 504 2.148 0.453 -3.327 219 HB2 LEU 504 HB2 LEU 504 2.365 -1.819 -2.517 220 HB3 LEU 504 HB1 LEU 504 3.560 -2.168 -3.740 221 HG LEU 504 HG LEU 504 5.053 -0.461 -2.644 222 HD11 LEU 504 HD11 LEU 504 3.377 0.792 -1.435 223 HD12 LEU 504 HD12 LEU 504 4.548 0.106 -0.308 224 HD13 LEU 504 HD13 LEU 504 2.958 -0.635 -0.488 225 HD21 LEU 504 HD21 LEU 504 5.738 -1.966 -0.850 226 HD22 LEU 504 HD22 LEU 504 5.361 -2.857 -2.326 227 HD23 LEU 504 HD23 LEU 504 4.209 -2.834 -0.989 228 H ARG 505 HN ARG 505 2.980 2.175 -4.328 229 HA ARG 505 HA ARG 505 5.168 1.902 -6.208 230 HB2 ARG 505 HB2 ARG 505 3.436 4.150 -5.301 231 HB3 ARG 505 HB1 ARG 505 4.960 4.492 -6.112 232 HG2 ARG 505 HG2 ARG 505 4.270 3.533 -8.093 233 HG3 ARG 505 HG1 ARG 505 3.013 2.576 -7.308 234 HD2 ARG 505 HD2 ARG 505 2.108 4.430 -8.616 235 HD3 ARG 505 HD1 ARG 505 1.711 4.542 -6.906 236 HE ARG 505 HE ARG 505 3.968 6.054 -7.178 237 HH11 ARG 505 HH11 ARG 505 0.859 6.023 -8.772 238 HH12 ARG 505 HH12 ARG 505 0.814 7.741 -9.009 239 HH21 ARG 505 HH21 ARG 505 3.919 8.329 -7.463 240 HH22 ARG 505 HH22 ARG 505 2.558 9.061 -8.255 241 H ILE 506 HN ILE 506 7.242 2.036 -5.638 242 HA ILE 506 HA ILE 506 7.896 2.684 -2.889 243 HB ILE 506 HB ILE 506 9.834 1.960 -5.083 244 HG12 ILE 506 HG12 ILE 506 8.112 0.199 -4.902 245 HG13 ILE 506 HG11 ILE 506 9.673 -0.364 -4.318 246 HG21 ILE 506 HG21 ILE 506 9.951 1.925 -2.079 247 HG22 ILE 506 HG22 ILE 506 10.925 2.891 -3.193 248 HG23 ILE 506 HG23 ILE 506 11.149 1.142 -3.109 249 HD11 ILE 506 HD11 ILE 506 7.885 -1.138 -2.887 250 HD12 ILE 506 HD12 ILE 506 7.358 0.524 -2.616 251 HD13 ILE 506 HD13 ILE 506 8.928 -0.011 -2.016 252 H GLU 507 HN GLU 507 8.245 4.717 -2.315 253 HA GLU 507 HA GLU 507 8.671 6.746 -4.288 254 HB2 GLU 507 HB2 GLU 507 8.455 6.848 -1.284 255 HB3 GLU 507 HB1 GLU 507 8.638 8.263 -2.304 256 HG2 GLU 507 HG2 GLU 507 6.516 7.190 -3.490 257 HG3 GLU 507 HG1 GLU 507 6.307 6.519 -1.869 258 H ASP 508 HN ASP 508 10.547 5.404 -1.589 259 HA ASP 508 HA ASP 508 12.969 6.436 -2.849 260 HB2 ASP 508 HB2 ASP 508 12.132 8.134 -1.152 261 HB3 ASP 508 HB1 ASP 508 12.446 6.922 0.086 262 H ILE 509 HN ILE 509 14.022 4.593 -3.165 263 HA ILE 509 HA ILE 509 13.651 2.335 -1.469 264 HB ILE 509 HB ILE 509 15.239 1.203 -2.951 265 HG12 ILE 509 HG12 ILE 509 15.660 2.820 -5.093 266 HG13 ILE 509 HG11 ILE 509 15.823 3.964 -3.765 267 HG21 ILE 509 HG21 ILE 509 12.975 1.163 -3.619 268 HG22 ILE 509 HG22 ILE 509 13.929 1.490 -5.065 269 HG23 ILE 509 HG23 ILE 509 13.065 2.801 -4.262 270 HD11 ILE 509 HD11 ILE 509 17.973 3.071 -4.316 271 HD12 ILE 509 HD12 ILE 509 17.369 1.422 -4.154 272 HD13 ILE 509 HD13 ILE 509 17.482 2.463 -2.734 273 H LYS 510 HN LYS 510 15.676 5.010 -1.270 274 HA LYS 510 HA LYS 510 17.907 3.683 -0.027 275 HB2 LYS 510 HB2 LYS 510 17.130 6.586 -0.282 276 HB3 LYS 510 HB1 LYS 510 18.586 6.047 0.535 277 HG2 LYS 510 HG2 LYS 510 17.926 5.561 -2.362 278 HG3 LYS 510 HG1 LYS 510 19.031 6.792 -1.749 279 HD2 LYS 510 HD2 LYS 510 20.332 4.903 -0.677 280 HD3 LYS 510 HD1 LYS 510 19.335 3.799 -1.626 281 HE2 LYS 510 HE2 LYS 510 21.053 6.002 -2.760 282 HE3 LYS 510 HE1 LYS 510 21.502 4.300 -2.695 283 HZ1 LYS 510 HZ1 LYS 510 19.162 5.397 -4.165 284 HZ2 LYS 510 HZ2 LYS 510 19.653 3.777 -4.137 285 HZ3 LYS 510 HZ3 LYS 510 20.633 4.945 -4.865 286 H LYS 511 HN LYS 511 14.859 4.938 0.930 287 HA LYS 511 HA LYS 511 15.424 5.145 3.720 288 HB2 LYS 511 HB2 LYS 511 12.886 5.010 2.105 289 HB3 LYS 511 HB1 LYS 511 12.916 5.247 3.834 290 HG2 LYS 511 HG2 LYS 511 14.130 7.083 1.792 291 HG3 LYS 511 HG1 LYS 511 12.607 7.347 2.643 292 HD2 LYS 511 HD2 LYS 511 15.225 6.986 4.060 293 HD3 LYS 511 HD1 LYS 511 14.635 8.565 3.550 294 HE2 LYS 511 HE2 LYS 511 13.161 6.668 5.372 295 HE3 LYS 511 HE1 LYS 511 14.124 8.041 5.914 296 HZ1 LYS 511 HZ1 LYS 511 11.664 8.140 4.255 297 HZ2 LYS 511 HZ2 LYS 511 12.637 9.479 4.589 298 HZ3 LYS 511 HZ3 LYS 511 11.843 8.679 5.847 299 H LEU 512 HN LEU 512 14.941 2.615 1.571 300 HA LEU 512 HA LEU 512 13.778 0.833 3.575 301 HB2 LEU 512 HB2 LEU 512 14.318 0.279 0.664 302 HB3 LEU 512 HB1 LEU 512 13.281 -0.630 1.748 303 HG LEU 512 HG LEU 512 12.763 2.195 0.817 304 HD11 LEU 512 HD11 LEU 512 11.508 -0.412 0.000 305 HD12 LEU 512 HD12 LEU 512 12.536 0.619 -0.996 306 HD13 LEU 512 HD13 LEU 512 10.950 1.190 -0.479 307 HD21 LEU 512 HD21 LEU 512 10.548 1.867 1.812 308 HD22 LEU 512 HD22 LEU 512 11.830 1.779 3.019 309 HD23 LEU 512 HD23 LEU 512 11.065 0.300 2.437 310 H LYS 513 HN LYS 513 14.677 -1.521 3.327 311 HA LYS 513 HA LYS 513 17.618 -1.385 3.226 312 HB2 LYS 513 HB2 LYS 513 16.676 -1.207 5.579 313 HB3 LYS 513 HB1 LYS 513 16.090 -2.851 5.378 314 HG2 LYS 513 HG2 LYS 513 18.188 -2.800 6.603 315 HG3 LYS 513 HG1 LYS 513 18.376 -3.637 5.061 316 HD2 LYS 513 HD2 LYS 513 19.393 -1.680 4.078 317 HD3 LYS 513 HD1 LYS 513 19.098 -0.749 5.546 318 HE2 LYS 513 HE2 LYS 513 20.585 -2.263 6.782 319 HE3 LYS 513 HE1 LYS 513 20.896 -3.159 5.296 320 HZ1 LYS 513 HZ1 LYS 513 21.826 -1.136 4.333 321 HZ2 LYS 513 HZ2 LYS 513 22.661 -1.587 5.732 322 HZ3 LYS 513 HZ3 LYS 513 21.562 -0.305 5.781 323 H GLY 514 HN GLY 514 16.782 -2.327 1.065 324 HA2 GLY 514 HA2 GLY 514 17.349 -5.123 1.103 325 HA3 GLY 514 HA1 GLY 514 15.649 -4.822 0.784 326 H LYS 515 HN LYS 515 15.911 -5.755 -1.291 327 HA LYS 515 HA LYS 515 17.468 -4.142 -3.186 328 HB2 LYS 515 HB2 LYS 515 16.275 -6.906 -3.465 329 HB3 LYS 515 HB1 LYS 515 17.043 -6.036 -4.781 330 HG2 LYS 515 HG2 LYS 515 18.699 -7.473 -4.017 331 HG3 LYS 515 HG1 LYS 515 19.106 -5.931 -3.270 332 HD2 LYS 515 HD2 LYS 515 19.356 -7.639 -1.617 333 HD3 LYS 515 HD1 LYS 515 17.916 -6.706 -1.211 334 HE2 LYS 515 HE2 LYS 515 16.508 -8.437 -2.207 335 HE3 LYS 515 HE1 LYS 515 17.942 -9.358 -2.652 336 HZ1 LYS 515 HZ1 LYS 515 16.872 -10.167 -0.613 337 HZ2 LYS 515 HZ2 LYS 515 17.171 -8.680 0.136 338 HZ3 LYS 515 HZ3 LYS 515 18.462 -9.662 -0.340 339 H TYR 516 HN TYR 516 16.253 -2.471 -3.803 340 HA TYR 516 HA TYR 516 13.614 -3.058 -4.960 341 HB2 TYR 516 HB2 TYR 516 14.257 -0.591 -3.333 342 HB3 TYR 516 HB1 TYR 516 12.702 -1.005 -4.042 343 HD1 TYR 516 HD1 TYR 516 11.306 -2.738 -3.025 344 HD2 TYR 516 HD2 TYR 516 15.019 -1.593 -1.309 345 HE1 TYR 516 HE1 TYR 516 10.671 -3.847 -0.924 346 HE2 TYR 516 HE2 TYR 516 14.401 -2.700 0.791 347 HH TYR 516 HH TYR 516 12.497 -3.434 1.988 348 H LYS 517 HN LYS 517 12.895 -0.969 -6.220 349 HA LYS 517 HA LYS 517 15.191 0.245 -7.586 350 HB2 LYS 517 HB2 LYS 517 12.822 -1.080 -8.931 351 HB3 LYS 517 HB1 LYS 517 14.011 -0.090 -9.765 352 HG2 LYS 517 HG2 LYS 517 15.714 -1.670 -9.446 353 HG3 LYS 517 HG1 LYS 517 14.798 -2.530 -8.209 354 HD2 LYS 517 HD2 LYS 517 14.795 -3.791 -10.281 355 HD3 LYS 517 HD1 LYS 517 13.170 -3.215 -9.918 356 HE2 LYS 517 HE2 LYS 517 13.531 -1.335 -11.483 357 HE3 LYS 517 HE1 LYS 517 15.103 -2.018 -11.895 358 HZ1 LYS 517 HZ1 LYS 517 13.368 -2.625 -13.492 359 HZ2 LYS 517 HZ2 LYS 517 12.504 -3.402 -12.265 360 HZ3 LYS 517 HZ3 LYS 517 14.019 -3.986 -12.728 361 H ASP 518 HN ASP 518 14.869 2.345 -8.211 362 HA ASP 518 HA ASP 518 12.652 3.701 -6.949 363 HB2 ASP 518 HB2 ASP 518 15.002 4.544 -6.844 364 HB3 ASP 518 HB1 ASP 518 14.935 4.851 -8.574 365 H ASN 519 HN ASN 519 11.876 2.040 -9.024 366 HA ASN 519 HA ASN 519 10.311 3.786 -10.616 367 HB2 ASN 519 HB2 ASN 519 11.141 2.961 -12.831 368 HB3 ASN 519 HB1 ASN 519 12.288 3.984 -11.978 369 HD21 ASN 519 HD21 ASN 519 14.027 3.177 -13.104 370 HD22 ASN 519 HD22 ASN 519 14.643 1.574 -12.864 371 H GLU 520 HN GLU 520 9.810 1.762 -8.762 372 HA GLU 520 HA GLU 520 8.599 -0.318 -10.448 373 HB2 GLU 520 HB2 GLU 520 10.611 -1.194 -9.318 374 HB3 GLU 520 HB1 GLU 520 9.936 -0.730 -7.763 375 HG2 GLU 520 HG2 GLU 520 9.670 -3.102 -8.138 376 HG3 GLU 520 HG1 GLU 520 8.098 -2.305 -8.092 377 H ALA 521 HN ALA 521 6.666 -1.193 -9.716 378 HA ALA 521 HA ALA 521 5.474 -0.210 -7.249 379 HB1 ALA 521 HB1 ALA 521 3.368 0.404 -8.355 380 HB2 ALA 521 HB2 ALA 521 4.117 0.128 -9.928 381 HB3 ALA 521 HB3 ALA 521 4.703 1.426 -8.888 382 H ILE 522 HN ILE 522 4.380 -1.737 -6.268 383 HA ILE 522 HA ILE 522 4.192 -4.313 -7.649 384 HB ILE 522 HB ILE 522 4.267 -3.611 -4.719 385 HG12 ILE 522 HG12 ILE 522 6.263 -5.208 -6.310 386 HG13 ILE 522 HG11 ILE 522 6.376 -3.465 -6.138 387 HG21 ILE 522 HG21 ILE 522 4.133 -6.319 -6.033 388 HG22 ILE 522 HG22 ILE 522 2.863 -5.570 -5.065 389 HG23 ILE 522 HG23 ILE 522 4.392 -6.030 -4.314 390 HD11 ILE 522 HD11 ILE 522 6.264 -5.321 -3.790 391 HD12 ILE 522 HD12 ILE 522 6.729 -3.620 -3.812 392 HD13 ILE 522 HD13 ILE 522 7.774 -4.831 -4.559 393 H GLU 523 HN GLU 523 2.241 -4.533 -8.549 394 HA GLU 523 HA GLU 523 -0.177 -3.437 -7.482 395 HB2 GLU 523 HB2 GLU 523 -0.010 -3.804 -9.841 396 HB3 GLU 523 HB1 GLU 523 0.354 -5.505 -9.623 397 HG2 GLU 523 HG2 GLU 523 -1.975 -5.530 -8.417 398 HG3 GLU 523 HG1 GLU 523 -2.236 -4.052 -9.338 399 H PHE 524 HN PHE 524 -1.497 -4.284 -6.003 400 HA PHE 524 HA PHE 524 -1.676 -7.162 -5.626 401 HB2 PHE 524 HB2 PHE 524 -1.413 -7.028 -3.185 402 HB3 PHE 524 HB1 PHE 524 0.053 -6.490 -4.000 403 HD1 PHE 524 HD2 PHE 524 0.549 -4.037 -4.122 404 HD2 PHE 524 HD1 PHE 524 -2.600 -5.628 -1.747 405 HE1 PHE 524 HE2 PHE 524 0.484 -1.951 -2.826 406 HE2 PHE 524 HE1 PHE 524 -2.667 -3.548 -0.438 407 HZ PHE 524 HZ PHE 524 -1.126 -1.703 -0.978 408 H SER 525 HN SER 525 -3.708 -7.794 -5.003 409 HA SER 525 HA SER 525 -5.739 -5.723 -5.030 410 HB2 SER 525 HB2 SER 525 -6.026 -8.735 -4.914 411 HB3 SER 525 HB1 SER 525 -7.328 -7.579 -5.202 412 HG SER 525 HG SER 525 -6.487 -8.503 -7.144 413 H PHE 526 HN PHE 526 -7.168 -5.282 -3.309 414 HA PHE 526 HA PHE 526 -6.318 -6.456 -0.742 415 HB2 PHE 526 HB2 PHE 526 -5.373 -4.114 -1.217 416 HB3 PHE 526 HB1 PHE 526 -7.028 -3.544 -1.068 417 HD1 PHE 526 HD1 PHE 526 -8.165 -3.561 1.068 418 HD2 PHE 526 HD2 PHE 526 -4.132 -4.859 0.708 419 HE1 PHE 526 HE1 PHE 526 -7.908 -3.430 3.508 420 HE2 PHE 526 HE2 PHE 526 -3.868 -4.732 3.152 421 HZ PHE 526 HZ PHE 526 -5.715 -3.949 4.548 422 H ASP 527 HN ASP 527 -7.994 -7.534 -0.005 423 HA ASP 527 HA ASP 527 -10.699 -6.601 -0.376 424 HB2 ASP 527 HB2 ASP 527 -10.009 -9.036 -0.208 425 HB3 ASP 527 HB1 ASP 527 -9.724 -8.753 1.503 426 H LEU 528 HN LEU 528 -11.452 -4.967 0.769 427 HA LEU 528 HA LEU 528 -9.948 -3.769 2.829 428 HB2 LEU 528 HB2 LEU 528 -12.762 -3.281 1.876 429 HB3 LEU 528 HB1 LEU 528 -11.901 -2.240 2.987 430 HG LEU 528 HG LEU 528 -10.942 -2.837 0.191 431 HD11 LEU 528 HD11 LEU 528 -11.765 -0.617 -0.396 432 HD12 LEU 528 HD12 LEU 528 -12.463 -0.445 1.214 433 HD13 LEU 528 HD13 LEU 528 -13.083 -1.672 0.110 434 HD21 LEU 528 HD21 LEU 528 -9.223 -2.141 1.814 435 HD22 LEU 528 HD22 LEU 528 -10.155 -0.677 2.134 436 HD23 LEU 528 HD23 LEU 528 -9.472 -0.958 0.531 437 H GLU 529 HN GLU 529 -12.212 -6.307 2.965 438 HA GLU 529 HA GLU 529 -12.633 -5.819 5.836 439 HB2 GLU 529 HB2 GLU 529 -14.177 -7.514 3.877 440 HB3 GLU 529 HB1 GLU 529 -14.424 -7.591 5.616 441 HG2 GLU 529 HG2 GLU 529 -14.924 -5.127 5.526 442 HG3 GLU 529 HG1 GLU 529 -14.930 -5.282 3.771 443 H ARG 530 HN ARG 530 -11.624 -8.256 3.480 444 HA ARG 530 HA ARG 530 -11.065 -10.159 5.594 445 HB2 ARG 530 HB2 ARG 530 -10.885 -10.343 2.598 446 HB3 ARG 530 HB1 ARG 530 -10.564 -11.671 3.689 447 HG2 ARG 530 HG2 ARG 530 -13.170 -10.194 3.602 448 HG3 ARG 530 HG1 ARG 530 -12.844 -11.648 2.658 449 HD2 ARG 530 HD2 ARG 530 -12.588 -11.489 5.648 450 HD3 ARG 530 HD1 ARG 530 -14.045 -12.030 4.821 451 HE ARG 530 HE ARG 530 -12.152 -13.627 3.767 452 HH11 ARG 530 HH11 ARG 530 -12.976 -12.820 7.074 453 HH12 ARG 530 HH12 ARG 530 -12.467 -14.352 7.710 454 HH21 ARG 530 HH21 ARG 530 -11.487 -15.647 4.602 455 HH22 ARG 530 HH22 ARG 530 -11.626 -15.961 6.302 456 H ASP 531 HN ASP 531 -9.253 -8.210 3.249 457 HA ASP 531 HA ASP 531 -6.775 -9.542 3.937 458 HB2 ASP 531 HB2 ASP 531 -7.513 -7.422 1.962 459 HB3 ASP 531 HB1 ASP 531 -5.829 -7.608 2.438 460 H VAL 532 HN VAL 532 -5.016 -8.620 4.925 461 HA VAL 532 HA VAL 532 -5.586 -6.198 6.500 462 HB VAL 532 HB VAL 532 -4.025 -8.652 7.327 463 HG11 VAL 532 HG11 VAL 532 -3.640 -7.529 9.461 464 HG12 VAL 532 HG12 VAL 532 -4.428 -6.076 8.843 465 HG13 VAL 532 HG13 VAL 532 -2.911 -6.625 8.132 466 HG21 VAL 532 HG21 VAL 532 -6.552 -7.416 8.403 467 HG22 VAL 532 HG22 VAL 532 -5.718 -8.807 9.098 468 HG23 VAL 532 HG23 VAL 532 -6.431 -8.918 7.489 469 HA PRO 533 HA PRO 533 -2.288 -4.301 4.292 470 HB2 PRO 533 HB2 PRO 533 -1.654 -3.026 6.910 471 HB3 PRO 533 HB1 PRO 533 -1.896 -2.280 5.330 472 HG2 PRO 533 HG2 PRO 533 -3.797 -2.150 7.172 473 HG3 PRO 533 HG1 PRO 533 -4.201 -2.440 5.484 474 HD2 PRO 533 HD2 PRO 533 -4.126 -4.359 7.759 475 HD3 PRO 533 HD1 PRO 533 -5.265 -4.272 6.401 476 H GLU 534 HN GLU 534 -1.361 -5.188 7.629 477 HA GLU 534 HA GLU 534 1.371 -5.535 6.966 478 HB2 GLU 534 HB2 GLU 534 -0.285 -6.248 9.367 479 HB3 GLU 534 HB1 GLU 534 1.417 -6.672 9.260 480 HG2 GLU 534 HG2 GLU 534 2.051 -4.379 9.086 481 HG3 GLU 534 HG1 GLU 534 0.373 -3.876 8.947 482 H ASP 535 HN ASP 535 -1.380 -7.651 6.859 483 HA ASP 535 HA ASP 535 0.032 -10.117 6.759 484 HB2 ASP 535 HB2 ASP 535 -2.428 -9.941 7.136 485 HB3 ASP 535 HB1 ASP 535 -2.619 -9.413 5.471 486 H VAL 536 HN VAL 536 -1.216 -7.917 4.297 487 HA VAL 536 HA VAL 536 -0.347 -9.307 2.029 488 HB VAL 536 HB VAL 536 -0.758 -6.334 2.403 489 HG11 VAL 536 HG11 VAL 536 -0.628 -7.936 -0.154 490 HG12 VAL 536 HG12 VAL 536 0.611 -6.820 0.425 491 HG13 VAL 536 HG13 VAL 536 -0.988 -6.211 -0.018 492 HG21 VAL 536 HG21 VAL 536 -2.603 -8.468 1.335 493 HG22 VAL 536 HG22 VAL 536 -2.952 -6.741 1.408 494 HG23 VAL 536 HG23 VAL 536 -2.743 -7.664 2.900 495 H ALA 537 HN ALA 537 1.287 -6.879 4.029 496 HA ALA 537 HA ALA 537 3.531 -6.599 2.328 497 HB1 ALA 537 HB1 ALA 537 4.599 -5.429 4.123 498 HB2 ALA 537 HB2 ALA 537 3.459 -6.097 5.296 499 HB3 ALA 537 HB3 ALA 537 2.899 -4.957 4.072 500 H GLN 538 HN GLN 538 2.711 -8.965 4.785 501 HA GLN 538 HA GLN 538 5.314 -10.107 5.000 502 HB2 GLN 538 HB2 GLN 538 2.558 -11.190 5.538 503 HB3 GLN 538 HB1 GLN 538 3.976 -12.220 5.641 504 HG2 GLN 538 HG2 GLN 538 3.427 -9.755 7.263 505 HG3 GLN 538 HG1 GLN 538 3.354 -11.422 7.826 506 HE21 GLN 538 HE21 GLN 538 5.782 -12.126 6.250 507 HE22 GLN 538 HE22 GLN 538 7.116 -11.445 7.130 508 H GLU 539 HN GLU 539 2.497 -10.757 2.991 509 HA GLU 539 HA GLU 539 3.517 -12.882 1.480 510 HB2 GLU 539 HB2 GLU 539 1.781 -10.716 0.301 511 HB3 GLU 539 HB1 GLU 539 1.791 -12.430 -0.082 512 HG2 GLU 539 HG2 GLU 539 0.896 -11.330 2.567 513 HG3 GLU 539 HG1 GLU 539 -0.189 -11.612 1.210 514 H MET 540 HN MET 540 3.705 -9.400 1.052 515 HA MET 540 HA MET 540 5.101 -9.240 -1.325 516 HB2 MET 540 HB2 MET 540 5.146 -7.510 1.128 517 HB3 MET 540 HB1 MET 540 6.034 -7.099 -0.333 518 HG2 MET 540 HG2 MET 540 3.975 -7.120 -1.612 519 HG3 MET 540 HG1 MET 540 3.074 -7.560 -0.163 520 HE1 MET 540 HE1 MET 540 2.173 -3.844 -1.175 521 HE2 MET 540 HE2 MET 540 1.537 -5.478 -0.976 522 HE3 MET 540 HE3 MET 540 2.704 -5.138 -2.251 523 H VAL 541 HN VAL 541 6.344 -9.654 1.961 524 HA VAL 541 HA VAL 541 9.086 -9.599 1.269 525 HB VAL 541 HB VAL 541 7.763 -10.922 3.645 526 HG11 VAL 541 HG11 VAL 541 9.954 -10.740 4.717 527 HG12 VAL 541 HG12 VAL 541 10.635 -10.096 3.224 528 HG13 VAL 541 HG13 VAL 541 10.029 -11.752 3.274 529 HG21 VAL 541 HG21 VAL 541 8.983 -8.177 3.372 530 HG22 VAL 541 HG22 VAL 541 8.311 -8.874 4.847 531 HG23 VAL 541 HG23 VAL 541 7.259 -8.533 3.473 532 H GLU 542 HN GLU 542 6.822 -12.291 1.828 533 HA GLU 542 HA GLU 542 8.788 -14.303 1.473 534 HB2 GLU 542 HB2 GLU 542 5.780 -14.462 1.303 535 HB3 GLU 542 HB1 GLU 542 6.860 -15.850 1.365 536 HG2 GLU 542 HG2 GLU 542 7.705 -14.930 3.567 537 HG3 GLU 542 HG1 GLU 542 6.358 -13.798 3.501 538 H SER 543 HN SER 543 6.467 -12.802 -0.725 539 HA SER 543 HA SER 543 6.980 -14.652 -2.839 540 HB2 SER 543 HB2 SER 543 5.651 -11.937 -2.938 541 HB3 SER 543 HB1 SER 543 5.580 -13.168 -4.198 542 HG SER 543 HG SER 543 4.715 -14.531 -2.356 543 H GLY 544 HN GLY 544 8.878 -12.251 -1.589 544 HA2 GLY 544 HA2 GLY 544 11.021 -11.737 -2.335 545 HA3 GLY 544 HA1 GLY 544 10.617 -12.429 -3.897 546 H TYR 545 HN TYR 545 8.629 -9.974 -2.392 547 HA TYR 545 HA TYR 545 9.462 -8.097 -4.493 548 HB2 TYR 545 HB2 TYR 545 6.985 -8.208 -2.769 549 HB3 TYR 545 HB1 TYR 545 7.367 -6.873 -3.841 550 HD1 TYR 545 HD2 TYR 545 7.752 -7.488 -6.343 551 HD2 TYR 545 HD1 TYR 545 5.723 -9.985 -3.562 552 HE1 TYR 545 HE2 TYR 545 6.667 -8.671 -8.205 553 HE2 TYR 545 HE1 TYR 545 4.637 -11.182 -5.417 554 HH TYR 545 HH TYR 545 4.049 -10.820 -7.750 555 H VAL 546 HN VAL 546 8.932 -8.398 -1.030 556 HA VAL 546 HA VAL 546 10.341 -5.840 -0.617 557 HB VAL 546 HB VAL 546 8.030 -6.999 0.966 558 HG11 VAL 546 HG11 VAL 546 9.472 -4.409 1.485 559 HG12 VAL 546 HG12 VAL 546 9.726 -5.892 2.404 560 HG13 VAL 546 HG13 VAL 546 8.147 -5.108 2.418 561 HG21 VAL 546 HG21 VAL 546 7.446 -5.909 -1.178 562 HG22 VAL 546 HG22 VAL 546 8.213 -4.430 -0.600 563 HG23 VAL 546 HG23 VAL 546 6.791 -5.068 0.227 564 H CYS 547 HN CYS 547 11.733 -5.722 1.174 565 HA CYS 547 HA CYS 547 12.713 -8.257 2.216 566 HB2 CYS 547 HB2 CYS 547 14.359 -6.584 1.551 567 HB3 CYS 547 HB1 CYS 547 13.623 -5.391 2.613 568 HG CYS 547 HG CYS 547 15.898 -6.003 3.915 569 H GLU 548 HN GLU 548 12.547 -8.879 4.336 570 HA GLU 548 HA GLU 548 10.181 -8.231 5.676 571 HB2 GLU 548 HB2 GLU 548 11.381 -10.385 5.864 572 HB3 GLU 548 HB1 GLU 548 12.644 -9.587 6.773 573 HG2 GLU 548 HG2 GLU 548 11.213 -10.765 8.281 574 HG3 GLU 548 HG1 GLU 548 10.997 -9.033 8.522 575 H GLY 549 HN GLY 549 13.289 -6.760 5.793 576 HA2 GLY 549 HA2 GLY 549 13.056 -5.524 8.348 577 HA3 GLY 549 HA1 GLY 549 14.150 -5.044 7.059 578 H ASP 550 HN ASP 550 11.581 -4.864 5.312 579 HA ASP 550 HA ASP 550 10.884 -2.144 6.210 580 HB2 ASP 550 HB2 ASP 550 10.957 -3.306 3.422 581 HB3 ASP 550 HB1 ASP 550 10.343 -1.707 3.814 582 H HIS 551 HN HIS 551 9.646 -4.918 6.691 583 HA HIS 551 HA HIS 551 7.227 -5.201 5.366 584 HB2 HIS 551 HB2 HIS 551 7.956 -6.979 6.772 585 HB3 HIS 551 HB1 HIS 551 8.052 -5.930 8.181 586 HD1 HIS 551 HD1 HIS 551 5.974 -5.689 9.591 587 HD2 HIS 551 HD2 HIS 551 5.278 -7.685 6.017 588 HE1 HIS 551 HE1 HIS 551 3.590 -6.474 9.713 589 HE2 HIS 551 HE2 HIS 551 3.267 -7.864 7.638 590 H LYS 552 HN LYS 552 7.850 -3.430 8.407 591 HA LYS 552 HA LYS 552 5.175 -2.635 8.815 592 HB2 LYS 552 HB2 LYS 552 7.024 -2.619 10.530 593 HB3 LYS 552 HB1 LYS 552 7.630 -1.169 9.753 594 HG2 LYS 552 HG2 LYS 552 6.370 -0.498 11.647 595 HG3 LYS 552 HG1 LYS 552 5.435 -0.083 10.212 596 HD2 LYS 552 HD2 LYS 552 3.982 -1.042 11.902 597 HD3 LYS 552 HD1 LYS 552 4.096 -2.133 10.522 598 HE2 LYS 552 HE2 LYS 552 5.667 -3.534 11.703 599 HE3 LYS 552 HE1 LYS 552 5.723 -2.398 13.048 600 HZ1 LYS 552 HZ1 LYS 552 4.302 -4.299 13.519 601 HZ2 LYS 552 HZ2 LYS 552 3.321 -3.932 12.189 602 HZ3 LYS 552 HZ3 LYS 552 3.407 -2.866 13.502 603 H THR 553 HN THR 553 7.905 -1.099 7.216 604 HA THR 553 HA THR 553 6.797 1.384 6.637 605 HB THR 553 HB THR 553 8.722 -0.211 4.934 606 HG1 THR 553 HG1 THR 553 10.319 0.692 6.214 607 HG21 THR 553 HG21 THR 553 9.523 1.976 4.172 608 HG22 THR 553 HG22 THR 553 8.279 2.772 5.136 609 HG23 THR 553 HG23 THR 553 7.818 1.750 3.774 610 H MET 554 HN MET 554 6.750 -1.612 4.724 611 HA MET 554 HA MET 554 5.310 -0.530 2.540 612 HB2 MET 554 HB2 MET 554 5.573 -3.395 3.454 613 HB3 MET 554 HB1 MET 554 4.961 -2.883 1.890 614 HG2 MET 554 HG2 MET 554 7.734 -2.482 2.959 615 HG3 MET 554 HG1 MET 554 7.234 -3.585 1.679 616 HE1 MET 554 HE1 MET 554 9.282 -2.493 0.291 617 HE2 MET 554 HE2 MET 554 9.588 -1.330 1.583 618 HE3 MET 554 HE3 MET 554 9.386 -0.771 -0.078 619 H ALA 555 HN ALA 555 4.339 -2.472 5.326 620 HA ALA 555 HA ALA 555 1.617 -2.703 4.673 621 HB1 ALA 555 HB1 ALA 555 2.882 -2.648 7.412 622 HB2 ALA 555 HB2 ALA 555 2.762 -4.068 6.374 623 HB3 ALA 555 HB3 ALA 555 1.299 -3.309 7.004 624 H LYS 556 HN LYS 556 3.431 -0.226 6.387 625 HA LYS 556 HA LYS 556 1.207 1.265 7.275 626 HB2 LYS 556 HB2 LYS 556 3.438 1.562 8.221 627 HB3 LYS 556 HB1 LYS 556 4.026 2.159 6.674 628 HG2 LYS 556 HG2 LYS 556 3.622 4.002 8.164 629 HG3 LYS 556 HG1 LYS 556 2.471 4.040 6.828 630 HD2 LYS 556 HD2 LYS 556 0.813 2.918 8.307 631 HD3 LYS 556 HD1 LYS 556 1.956 3.093 9.641 632 HE2 LYS 556 HE2 LYS 556 0.372 4.893 9.741 633 HE3 LYS 556 HE1 LYS 556 1.939 5.543 9.262 634 HZ1 LYS 556 HZ1 LYS 556 0.204 6.495 7.919 635 HZ2 LYS 556 HZ2 LYS 556 -0.347 4.964 7.460 636 HZ3 LYS 556 HZ3 LYS 556 1.172 5.504 6.949 637 H ALA 557 HN ALA 557 3.115 1.283 4.319 638 HA ALA 557 HA ALA 557 1.897 3.497 3.076 639 HB1 ALA 557 HB1 ALA 557 3.958 2.363 2.250 640 HB2 ALA 557 HB2 ALA 557 2.738 2.587 0.997 641 HB3 ALA 557 HB3 ALA 557 2.958 1.003 1.739 642 H ILE 558 HN ILE 558 1.151 0.050 3.038 643 HA ILE 558 HA ILE 558 -1.081 0.123 1.343 644 HB ILE 558 HB ILE 558 -0.592 -1.786 3.638 645 HG12 ILE 558 HG12 ILE 558 0.319 -1.993 0.766 646 HG13 ILE 558 HG11 ILE 558 1.353 -1.589 2.122 647 HG21 ILE 558 HG21 ILE 558 -2.185 -2.061 1.100 648 HG22 ILE 558 HG22 ILE 558 -2.822 -1.981 2.744 649 HG23 ILE 558 HG23 ILE 558 -1.856 -3.368 2.235 650 HD11 ILE 558 HD11 ILE 558 1.625 -3.900 1.493 651 HD12 ILE 558 HD12 ILE 558 -0.101 -4.183 1.718 652 HD13 ILE 558 HD13 ILE 558 0.912 -3.779 3.102 653 H LYS 559 HN LYS 559 -0.854 0.187 4.883 654 HA LYS 559 HA LYS 559 -3.632 0.333 5.361 655 HB2 LYS 559 HB2 LYS 559 -1.830 -0.370 6.985 656 HB3 LYS 559 HB1 LYS 559 -1.423 1.330 7.165 657 HG2 LYS 559 HG2 LYS 559 -3.631 1.796 8.043 658 HG3 LYS 559 HG1 LYS 559 -4.106 0.115 7.794 659 HD2 LYS 559 HD2 LYS 559 -1.898 1.069 9.620 660 HD3 LYS 559 HD1 LYS 559 -3.506 0.562 10.134 661 HE2 LYS 559 HE2 LYS 559 -3.064 -1.674 9.163 662 HE3 LYS 559 HE1 LYS 559 -1.427 -1.150 8.774 663 HZ1 LYS 559 HZ1 LYS 559 -2.601 -1.358 11.496 664 HZ2 LYS 559 HZ2 LYS 559 -1.055 -0.768 11.156 665 HZ3 LYS 559 HZ3 LYS 559 -1.430 -2.384 10.827 666 H ASP 560 HN ASP 560 -1.137 2.766 4.888 667 HA ASP 560 HA ASP 560 -2.571 5.041 5.657 668 HB2 ASP 560 HB2 ASP 560 -0.169 5.080 5.217 669 HB3 ASP 560 HB1 ASP 560 -0.468 4.748 3.519 670 H ARG 561 HN ARG 561 -2.386 3.368 2.539 671 HA ARG 561 HA ARG 561 -4.056 5.242 1.201 672 HB2 ARG 561 HB2 ARG 561 -2.473 3.828 -0.031 673 HB3 ARG 561 HB1 ARG 561 -3.374 2.398 0.443 674 HG2 ARG 561 HG2 ARG 561 -3.845 3.176 -1.872 675 HG3 ARG 561 HG1 ARG 561 -5.268 3.076 -0.831 676 HD2 ARG 561 HD2 ARG 561 -5.094 5.486 -0.394 677 HD3 ARG 561 HD1 ARG 561 -3.720 5.574 -1.493 678 HE ARG 561 HE ARG 561 -6.472 4.897 -2.312 679 HH11 ARG 561 HH11 ARG 561 -3.310 6.204 -3.030 680 HH12 ARG 561 HH12 ARG 561 -3.830 7.028 -4.468 681 HH21 ARG 561 HH21 ARG 561 -7.180 6.008 -4.181 682 HH22 ARG 561 HH22 ARG 561 -6.041 6.924 -5.115 683 H VAL 562 HN VAL 562 -4.592 1.995 2.527 684 HA VAL 562 HA VAL 562 -7.271 1.737 1.814 685 HB VAL 562 HB VAL 562 -5.793 0.597 4.193 686 HG11 VAL 562 HG11 VAL 562 -7.565 -1.109 4.220 687 HG12 VAL 562 HG12 VAL 562 -8.439 -0.189 2.992 688 HG13 VAL 562 HG13 VAL 562 -8.175 0.504 4.592 689 HG21 VAL 562 HG21 VAL 562 -6.454 -0.640 1.522 690 HG22 VAL 562 HG22 VAL 562 -5.502 -1.363 2.820 691 HG23 VAL 562 HG23 VAL 562 -4.884 0.046 1.951 692 H SER 563 HN SER 563 -5.754 3.351 4.537 693 HA SER 563 HA SER 563 -8.046 3.854 6.061 694 HB2 SER 563 HB2 SER 563 -5.666 4.189 6.800 695 HB3 SER 563 HB1 SER 563 -5.629 5.654 5.822 696 HG SER 563 HG SER 563 -7.115 5.102 8.153 697 H LEU 564 HN LEU 564 -6.489 5.857 3.524 698 HA LEU 564 HA LEU 564 -8.437 7.913 3.755 699 HB2 LEU 564 HB2 LEU 564 -7.419 8.911 1.813 700 HB3 LEU 564 HB1 LEU 564 -6.192 8.365 2.925 701 HG LEU 564 HG LEU 564 -6.259 6.244 1.325 702 HD11 LEU 564 HD11 LEU 564 -7.026 8.563 -0.441 703 HD12 LEU 564 HD12 LEU 564 -8.005 7.133 -0.112 704 HD13 LEU 564 HD13 LEU 564 -6.489 6.979 -1.002 705 HD21 LEU 564 HD21 LEU 564 -4.778 8.824 0.837 706 HD22 LEU 564 HD22 LEU 564 -4.343 7.269 0.131 707 HD23 LEU 564 HD23 LEU 564 -4.268 7.495 1.878 708 H ILE 565 HN ILE 565 -8.024 5.149 1.663 709 HA ILE 565 HA ILE 565 -10.110 5.468 -0.123 710 HB ILE 565 HB ILE 565 -8.952 3.028 1.185 711 HG12 ILE 565 HG12 ILE 565 -8.817 4.077 -1.638 712 HG13 ILE 565 HG11 ILE 565 -7.612 4.373 -0.394 713 HG21 ILE 565 HG21 ILE 565 -10.145 1.628 -0.408 714 HG22 ILE 565 HG22 ILE 565 -11.007 3.039 -1.026 715 HG23 ILE 565 HG23 ILE 565 -11.277 2.493 0.630 716 HD11 ILE 565 HD11 ILE 565 -8.375 1.696 -1.502 717 HD12 ILE 565 HD12 ILE 565 -7.167 1.995 -0.252 718 HD13 ILE 565 HD13 ILE 565 -6.917 2.610 -1.885 719 H LYS 566 HN LYS 566 -10.238 3.801 3.019 720 HA LYS 566 HA LYS 566 -13.041 3.451 3.001 721 HB2 LYS 566 HB2 LYS 566 -11.061 3.471 5.278 722 HB3 LYS 566 HB1 LYS 566 -12.757 3.048 5.468 723 HG2 LYS 566 HG2 LYS 566 -12.465 1.198 3.887 724 HG3 LYS 566 HG1 LYS 566 -10.761 1.619 3.728 725 HD2 LYS 566 HD2 LYS 566 -10.381 1.142 6.064 726 HD3 LYS 566 HD1 LYS 566 -12.101 0.853 6.320 727 HE2 LYS 566 HE2 LYS 566 -11.985 -1.042 4.749 728 HE3 LYS 566 HE1 LYS 566 -10.255 -0.770 4.571 729 HZ1 LYS 566 HZ1 LYS 566 -9.950 -1.263 6.895 730 HZ2 LYS 566 HZ2 LYS 566 -10.777 -2.543 6.157 731 HZ3 LYS 566 HZ3 LYS 566 -11.616 -1.440 7.125 732 H ARG 567 HN ARG 567 -10.983 6.070 4.052 733 HA ARG 567 HA ARG 567 -12.868 7.499 5.580 734 HB2 ARG 567 HB2 ARG 567 -10.479 7.944 5.720 735 HB3 ARG 567 HB1 ARG 567 -10.440 8.433 4.033 736 HG2 ARG 567 HG2 ARG 567 -10.378 10.372 5.437 737 HG3 ARG 567 HG1 ARG 567 -11.916 10.318 4.573 738 HD2 ARG 567 HD2 ARG 567 -12.953 9.308 6.582 739 HD3 ARG 567 HD1 ARG 567 -11.425 9.513 7.434 740 HE ARG 567 HE ARG 567 -11.953 12.008 6.593 741 HH11 ARG 567 HH11 ARG 567 -13.944 9.620 8.200 742 HH12 ARG 567 HH12 ARG 567 -14.855 10.801 9.095 743 HH21 ARG 567 HH21 ARG 567 -13.144 13.566 7.768 744 HH22 ARG 567 HH22 ARG 567 -14.397 13.048 8.848 745 H LYS 568 HN LYS 568 -11.978 7.670 2.137 746 HA LYS 568 HA LYS 568 -13.695 9.807 1.458 747 HB2 LYS 568 HB2 LYS 568 -12.769 7.505 -0.277 748 HB3 LYS 568 HB1 LYS 568 -13.482 9.000 -0.862 749 HG2 LYS 568 HG2 LYS 568 -10.852 8.722 0.580 750 HG3 LYS 568 HG1 LYS 568 -11.080 9.029 -1.142 751 HD2 LYS 568 HD2 LYS 568 -12.222 11.146 -0.571 752 HD3 LYS 568 HD1 LYS 568 -11.873 10.846 1.133 753 HE2 LYS 568 HE2 LYS 568 -9.465 10.821 0.601 754 HE3 LYS 568 HE1 LYS 568 -9.852 11.203 -1.075 755 HZ1 LYS 568 HZ1 LYS 568 -10.391 12.902 1.296 756 HZ2 LYS 568 HZ2 LYS 568 -10.918 13.255 -0.272 757 HZ3 LYS 568 HZ3 LYS 568 -9.265 13.200 0.070 758 H ARG 569 HN ARG 569 -14.173 6.388 1.830 759 HA ARG 569 HA ARG 569 -16.758 6.294 0.622 760 HB2 ARG 569 HB2 ARG 569 -15.247 4.378 2.360 761 HB3 ARG 569 HB1 ARG 569 -16.849 4.038 1.721 762 HG2 ARG 569 HG2 ARG 569 -15.866 4.489 -0.573 763 HG3 ARG 569 HG1 ARG 569 -14.285 4.411 0.216 764 HD2 ARG 569 HD2 ARG 569 -14.833 2.203 1.074 765 HD3 ARG 569 HD1 ARG 569 -16.401 2.289 0.282 766 HE ARG 569 HE ARG 569 -14.388 2.659 -1.646 767 HH11 ARG 569 HH11 ARG 569 -15.715 0.195 0.454 768 HH12 ARG 569 HH12 ARG 569 -15.282 -1.115 -0.597 769 HH21 ARG 569 HH21 ARG 569 -13.861 0.942 -3.062 770 HH22 ARG 569 HH22 ARG 569 -14.221 -0.696 -2.580 771 H GLU 570 HN GLU 570 -15.734 7.575 3.540 772 HA GLU 570 HA GLU 570 -18.077 6.838 5.069 773 HB2 GLU 570 HB2 GLU 570 -15.957 8.911 5.674 774 HB3 GLU 570 HB1 GLU 570 -17.191 8.345 6.791 775 HG2 GLU 570 HG2 GLU 570 -16.202 6.038 6.499 776 HG3 GLU 570 HG1 GLU 570 -14.858 6.822 5.680 777 H GLN 571 HN GLN 571 -17.542 8.885 2.571 778 HA GLN 571 HA GLN 571 -19.522 10.861 3.455 779 HB2 GLN 571 HB2 GLN 571 -17.446 11.774 2.542 780 HB3 GLN 571 HB1 GLN 571 -17.662 10.842 1.068 781 HG2 GLN 571 HG2 GLN 571 -19.613 12.128 0.492 782 HG3 GLN 571 HG1 GLN 571 -19.527 13.001 2.022 783 HE21 GLN 571 HE21 GLN 571 -19.431 13.978 -0.744 784 HE22 GLN 571 HE22 GLN 571 -17.955 14.875 -0.869 785 H ARG 572 HN ARG 572 -21.504 11.012 2.471 786 HA ARG 572 HA ARG 572 -22.259 8.794 0.744 787 HB2 ARG 572 HB2 ARG 572 -23.882 10.941 2.115 788 HB3 ARG 572 HB1 ARG 572 -24.580 9.737 1.042 789 HG2 ARG 572 HG2 ARG 572 -23.784 7.963 2.530 790 HG3 ARG 572 HG1 ARG 572 -23.121 9.186 3.613 791 HD2 ARG 572 HD2 ARG 572 -25.323 10.068 4.035 792 HD3 ARG 572 HD1 ARG 572 -26.029 8.974 2.846 793 HE ARG 572 HE ARG 572 -24.648 7.498 4.821 794 HH11 ARG 572 HH11 ARG 572 -27.574 9.363 4.351 795 HH12 ARG 572 HH12 ARG 572 -28.468 8.505 5.566 796 HH21 ARG 572 HH21 ARG 572 -25.825 6.355 6.413 797 HH22 ARG 572 HH22 ARG 572 -27.471 6.792 6.741 Start of MODEL 2 1 H1 GLY 475 HT1 GLY 475 15.168 10.465 -0.577 2 H2 GLY 475 HT2 GLY 475 16.144 11.820 -0.295 3 H3 GLY 475 HT3 GLY 475 15.246 11.707 -1.721 4 HA2 GLY 475 HA1 GLY 475 14.198 13.240 -0.186 5 HA3 GLY 475 HA2 GLY 475 13.188 11.836 -0.489 6 H ALA 476 HN ALA 476 12.595 10.561 1.178 7 HA ALA 476 HA ALA 476 12.999 11.523 3.825 8 HB1 ALA 476 HB1 ALA 476 11.762 8.931 2.903 9 HB2 ALA 476 HB2 ALA 476 10.908 10.455 3.144 10 HB3 ALA 476 HB3 ALA 476 11.634 9.626 4.519 11 H MET 477 HN MET 477 15.097 11.417 4.470 12 HA MET 477 HA MET 477 16.272 8.717 4.644 13 HB2 MET 477 HB2 MET 477 18.494 9.760 4.565 14 HB3 MET 477 HB1 MET 477 17.564 10.112 3.117 15 HG2 MET 477 HG2 MET 477 17.037 12.329 3.993 16 HG3 MET 477 HG1 MET 477 17.971 11.974 5.445 17 HE1 MET 477 HE1 MET 477 18.863 10.967 1.715 18 HE2 MET 477 HE2 MET 477 19.798 12.379 1.222 19 HE3 MET 477 HE3 MET 477 18.079 12.540 1.578 20 H ASP 478 HN ASP 478 15.143 11.429 6.313 21 HA ASP 478 HA ASP 478 16.203 10.334 8.829 22 HB2 ASP 478 HB2 ASP 478 16.548 12.531 9.734 23 HB3 ASP 478 HB1 ASP 478 17.355 12.489 8.176 24 HA PRO 479 HA PRO 479 12.017 10.198 10.129 25 HB2 PRO 479 HB2 PRO 479 12.161 10.845 12.763 26 HB3 PRO 479 HB1 PRO 479 12.742 9.307 12.113 27 HG2 PRO 479 HG2 PRO 479 14.295 11.782 12.771 28 HG3 PRO 479 HG1 PRO 479 14.673 10.091 13.158 29 HD2 PRO 479 HD2 PRO 479 15.826 11.353 11.088 30 HD3 PRO 479 HD1 PRO 479 15.403 9.632 11.014 31 H GLN 480 HN GLN 480 11.720 12.165 8.711 32 HA GLN 480 HA GLN 480 10.357 14.189 10.323 33 HB2 GLN 480 HB2 GLN 480 12.524 15.178 9.690 34 HB3 GLN 480 HB1 GLN 480 12.181 14.836 8.002 35 HG2 GLN 480 HG2 GLN 480 10.229 16.329 8.121 36 HG3 GLN 480 HG1 GLN 480 10.652 16.710 9.789 37 HE21 GLN 480 HE21 GLN 480 11.479 17.119 6.452 38 HE22 GLN 480 HE22 GLN 480 12.629 18.397 6.687 39 H GLU 481 HN GLU 481 11.062 13.237 6.968 40 HA GLU 481 HA GLU 481 8.501 13.964 5.985 41 HB2 GLU 481 HB2 GLU 481 10.806 12.385 4.899 42 HB3 GLU 481 HB1 GLU 481 9.267 12.371 4.052 43 HG2 GLU 481 HG2 GLU 481 10.847 14.019 3.152 44 HG3 GLU 481 HG1 GLU 481 9.357 14.752 3.738 45 H GLU 482 HN GLU 482 7.012 12.378 4.951 46 HA GLU 482 HA GLU 482 6.178 10.465 6.889 47 HB2 GLU 482 HB2 GLU 482 4.718 11.852 5.299 48 HB3 GLU 482 HB1 GLU 482 5.154 10.687 4.059 49 HG2 GLU 482 HG2 GLU 482 4.138 8.900 5.346 50 HG3 GLU 482 HG1 GLU 482 3.756 10.031 6.643 51 H THR 483 HN THR 483 5.489 8.188 5.930 52 HA THR 483 HA THR 483 7.717 6.618 5.635 53 HB THR 483 HB THR 483 5.102 5.855 4.363 54 HG1 THR 483 HG1 THR 483 5.685 6.357 7.093 55 HG21 THR 483 HG21 THR 483 7.062 4.344 6.093 56 HG22 THR 483 HG22 THR 483 6.963 4.241 4.336 57 HG23 THR 483 HG23 THR 483 5.620 3.678 5.330 58 H GLY 484 HN GLY 484 8.911 5.810 3.942 59 HA2 GLY 484 HA2 GLY 484 9.004 7.480 1.612 60 HA3 GLY 484 HA1 GLY 484 10.083 6.147 1.984 61 H VAL 485 HN VAL 485 6.568 6.104 1.621 62 HA VAL 485 HA VAL 485 6.725 4.808 -0.962 63 HB VAL 485 HB VAL 485 5.055 3.021 0.154 64 HG11 VAL 485 HG11 VAL 485 8.053 2.778 0.056 65 HG12 VAL 485 HG12 VAL 485 6.911 2.387 -1.231 66 HG13 VAL 485 HG13 VAL 485 6.928 1.432 0.251 67 HG21 VAL 485 HG21 VAL 485 5.309 3.867 2.396 68 HG22 VAL 485 HG22 VAL 485 7.058 3.647 2.308 69 HG23 VAL 485 HG23 VAL 485 5.991 2.241 2.287 70 H ARG 486 HN ARG 486 4.468 4.238 -1.729 71 HA ARG 486 HA ARG 486 2.243 5.411 -0.361 72 HB2 ARG 486 HB2 ARG 486 3.000 7.452 -1.305 73 HB3 ARG 486 HB1 ARG 486 3.356 6.698 -2.851 74 HG2 ARG 486 HG2 ARG 486 1.403 8.014 -3.118 75 HG3 ARG 486 HG1 ARG 486 0.909 6.325 -3.144 76 HD2 ARG 486 HD2 ARG 486 0.099 6.468 -0.885 77 HD3 ARG 486 HD1 ARG 486 0.755 8.101 -0.712 78 HE ARG 486 HE ARG 486 -1.151 7.739 -2.872 79 HH11 ARG 486 HH11 ARG 486 -0.703 8.627 0.492 80 HH12 ARG 486 HH12 ARG 486 -2.131 9.608 0.554 81 HH21 ARG 486 HH21 ARG 486 -3.014 9.043 -2.797 82 HH22 ARG 486 HH22 ARG 486 -3.446 9.853 -1.325 83 H VAL 487 HN VAL 487 0.410 4.391 -0.938 84 HA VAL 487 HA VAL 487 0.603 2.521 -3.192 85 HB VAL 487 HB VAL 487 -1.237 2.443 -0.797 86 HG11 VAL 487 HG11 VAL 487 -0.959 0.488 -3.075 87 HG12 VAL 487 HG12 VAL 487 -2.336 1.550 -2.790 88 HG13 VAL 487 HG13 VAL 487 -1.960 0.267 -1.639 89 HG21 VAL 487 HG21 VAL 487 1.112 0.748 -1.600 90 HG22 VAL 487 HG22 VAL 487 0.035 0.401 -0.250 91 HG23 VAL 487 HG23 VAL 487 1.030 1.858 -0.233 92 H GLU 488 HN GLU 488 -0.735 2.627 -4.851 93 HA GLU 488 HA GLU 488 -2.844 4.700 -4.831 94 HB2 GLU 488 HB2 GLU 488 -0.904 3.943 -7.026 95 HB3 GLU 488 HB1 GLU 488 -2.294 4.987 -7.270 96 HG2 GLU 488 HG2 GLU 488 -0.027 5.548 -5.374 97 HG3 GLU 488 HG1 GLU 488 -0.184 6.220 -6.995 98 H LEU 489 HN LEU 489 -4.562 4.325 -6.399 99 HA LEU 489 HA LEU 489 -5.393 1.561 -6.412 100 HB2 LEU 489 HB2 LEU 489 -6.699 3.975 -7.653 101 HB3 LEU 489 HB1 LEU 489 -7.435 2.402 -7.437 102 HG LEU 489 HG LEU 489 -6.536 4.148 -5.149 103 HD11 LEU 489 HD11 LEU 489 -8.921 4.685 -4.901 104 HD12 LEU 489 HD12 LEU 489 -9.274 3.796 -6.382 105 HD13 LEU 489 HD13 LEU 489 -8.285 5.257 -6.443 106 HD21 LEU 489 HD21 LEU 489 -8.422 1.791 -5.221 107 HD22 LEU 489 HD22 LEU 489 -7.893 2.688 -3.794 108 HD23 LEU 489 HD23 LEU 489 -6.741 1.713 -4.705 109 H ALA 490 HN ALA 490 -5.609 0.254 -8.178 110 HA ALA 490 HA ALA 490 -4.144 0.931 -10.572 111 HB1 ALA 490 HB1 ALA 490 -4.122 -1.355 -9.704 112 HB2 ALA 490 HB2 ALA 490 -4.810 -1.304 -11.327 113 HB3 ALA 490 HB3 ALA 490 -5.869 -1.462 -9.928 114 H GLU 491 HN GLU 491 -7.404 0.833 -9.443 115 HA GLU 491 HA GLU 491 -8.323 1.950 -11.996 116 HB2 GLU 491 HB2 GLU 491 -10.561 0.742 -10.901 117 HB3 GLU 491 HB1 GLU 491 -9.620 0.144 -12.257 118 HG2 GLU 491 HG2 GLU 491 -9.888 -1.657 -10.775 119 HG3 GLU 491 HG1 GLU 491 -8.221 -1.123 -10.600 120 H GLU 492 HN GLU 492 -10.890 2.510 -11.209 121 HA GLU 492 HA GLU 492 -10.459 4.688 -9.335 122 HB2 GLU 492 HB2 GLU 492 -12.695 5.441 -10.140 123 HB3 GLU 492 HB1 GLU 492 -11.502 5.278 -11.422 124 HG2 GLU 492 HG2 GLU 492 -12.443 3.074 -11.977 125 HG3 GLU 492 HG1 GLU 492 -13.691 3.330 -10.759 126 H ASP 493 HN ASP 493 -11.434 4.782 -7.350 127 HA ASP 493 HA ASP 493 -13.101 2.464 -6.649 128 HB2 ASP 493 HB2 ASP 493 -10.897 2.306 -5.592 129 HB3 ASP 493 HB1 ASP 493 -11.153 3.877 -4.830 130 H ASP 494 HN ASP 494 -15.100 3.246 -6.677 131 HA ASP 494 HA ASP 494 -15.873 4.767 -4.372 132 HB2 ASP 494 HB2 ASP 494 -17.175 6.482 -5.577 133 HB3 ASP 494 HB1 ASP 494 -15.454 6.638 -5.890 134 H GLY 495 HN GLY 495 -16.193 2.129 -5.685 135 HA2 GLY 495 HA2 GLY 495 -19.061 2.128 -6.299 136 HA3 GLY 495 HA1 GLY 495 -17.922 0.895 -6.786 137 H GLU 496 HN GLU 496 -17.398 1.813 -3.595 138 HA GLU 496 HA GLU 496 -17.696 0.794 -1.595 139 HB2 GLU 496 HB2 GLU 496 -20.348 0.116 -2.856 140 HB3 GLU 496 HB1 GLU 496 -19.949 -0.303 -1.196 141 HG2 GLU 496 HG2 GLU 496 -19.708 2.002 -0.603 142 HG3 GLU 496 HG1 GLU 496 -19.878 2.499 -2.285 143 H LYS 497 HN LYS 497 -16.883 -0.735 -4.175 144 HA LYS 497 HA LYS 497 -17.241 -3.475 -3.742 145 HB2 LYS 497 HB2 LYS 497 -15.032 -3.544 -5.085 146 HB3 LYS 497 HB1 LYS 497 -16.468 -2.899 -5.858 147 HG2 LYS 497 HG2 LYS 497 -15.707 -0.635 -5.455 148 HG3 LYS 497 HG1 LYS 497 -14.304 -1.246 -4.566 149 HD2 LYS 497 HD2 LYS 497 -13.486 -2.332 -6.585 150 HD3 LYS 497 HD1 LYS 497 -14.907 -1.777 -7.473 151 HE2 LYS 497 HE2 LYS 497 -14.241 0.550 -7.015 152 HE3 LYS 497 HE1 LYS 497 -12.787 -0.044 -6.215 153 HZ1 LYS 497 HZ1 LYS 497 -13.440 -0.705 -9.023 154 HZ2 LYS 497 HZ2 LYS 497 -11.949 -0.882 -8.230 155 HZ3 LYS 497 HZ3 LYS 497 -12.545 0.663 -8.597 156 H ILE 498 HN ILE 498 -16.211 -4.924 -2.485 157 HA ILE 498 HA ILE 498 -14.832 -3.847 -0.216 158 HB ILE 498 HB ILE 498 -15.621 -6.652 -0.942 159 HG12 ILE 498 HG12 ILE 498 -17.421 -5.011 -0.410 160 HG13 ILE 498 HG11 ILE 498 -17.330 -6.356 0.710 161 HG21 ILE 498 HG21 ILE 498 -14.403 -5.650 1.627 162 HG22 ILE 498 HG22 ILE 498 -13.633 -6.729 0.462 163 HG23 ILE 498 HG23 ILE 498 -15.055 -7.265 1.356 164 HD11 ILE 498 HD11 ILE 498 -16.148 -4.963 2.314 165 HD12 ILE 498 HD12 ILE 498 -17.720 -4.279 1.887 166 HD13 ILE 498 HD13 ILE 498 -16.247 -3.602 1.195 167 H ALA 499 HN ALA 499 -13.991 -5.463 -3.141 168 HA ALA 499 HA ALA 499 -11.226 -5.686 -2.167 169 HB1 ALA 499 HB1 ALA 499 -12.699 -7.501 -4.048 170 HB2 ALA 499 HB2 ALA 499 -12.194 -7.862 -2.395 171 HB3 ALA 499 HB3 ALA 499 -10.980 -7.621 -3.657 172 H ILE 500 HN ILE 500 -9.812 -4.527 -3.192 173 HA ILE 500 HA ILE 500 -10.477 -3.432 -5.845 174 HB ILE 500 HB ILE 500 -9.401 -1.382 -5.211 175 HG12 ILE 500 HG12 ILE 500 -8.745 -2.789 -2.613 176 HG13 ILE 500 HG11 ILE 500 -7.598 -2.235 -3.825 177 HG21 ILE 500 HG21 ILE 500 -11.725 -1.627 -4.581 178 HG22 ILE 500 HG22 ILE 500 -10.864 -0.649 -3.390 179 HG23 ILE 500 HG23 ILE 500 -11.238 -2.337 -3.041 180 HD11 ILE 500 HD11 ILE 500 -7.648 -0.762 -1.899 181 HD12 ILE 500 HD12 ILE 500 -9.369 -0.475 -2.153 182 HD13 ILE 500 HD13 ILE 500 -8.200 0.071 -3.353 183 H LYS 501 HN LYS 501 -8.275 -2.371 -6.717 184 HA LYS 501 HA LYS 501 -6.096 -4.267 -6.184 185 HB2 LYS 501 HB2 LYS 501 -7.211 -4.751 -8.369 186 HB3 LYS 501 HB1 LYS 501 -6.730 -3.149 -8.914 187 HG2 LYS 501 HG2 LYS 501 -4.454 -3.699 -8.894 188 HG3 LYS 501 HG1 LYS 501 -4.722 -5.136 -7.909 189 HD2 LYS 501 HD2 LYS 501 -4.263 -5.782 -10.192 190 HD3 LYS 501 HD1 LYS 501 -5.935 -6.167 -9.791 191 HE2 LYS 501 HE2 LYS 501 -6.693 -4.169 -10.953 192 HE3 LYS 501 HE1 LYS 501 -5.024 -3.724 -11.306 193 HZ1 LYS 501 HZ1 LYS 501 -4.810 -5.770 -12.595 194 HZ2 LYS 501 HZ2 LYS 501 -6.037 -4.784 -13.206 195 HZ3 LYS 501 HZ3 LYS 501 -6.430 -6.146 -12.290 196 H LEU 502 HN LEU 502 -4.355 -3.330 -5.482 197 HA LEU 502 HA LEU 502 -4.036 -0.429 -5.885 198 HB2 LEU 502 HB2 LEU 502 -3.146 -2.224 -3.627 199 HB3 LEU 502 HB1 LEU 502 -2.751 -0.523 -3.757 200 HG LEU 502 HG LEU 502 -5.598 -1.483 -3.641 201 HD11 LEU 502 HD11 LEU 502 -4.429 -2.306 -1.661 202 HD12 LEU 502 HD12 LEU 502 -5.546 -1.004 -1.250 203 HD13 LEU 502 HD13 LEU 502 -3.814 -0.684 -1.346 204 HD21 LEU 502 HD21 LEU 502 -5.088 0.809 -4.462 205 HD22 LEU 502 HD22 LEU 502 -4.340 1.153 -2.903 206 HD23 LEU 502 HD23 LEU 502 -6.059 0.775 -2.991 207 H TRP 503 HN TRP 503 -1.893 0.376 -6.166 208 HA TRP 503 HA TRP 503 0.171 -1.662 -6.694 209 HB2 TRP 503 HB2 TRP 503 -0.201 1.050 -7.965 210 HB3 TRP 503 HB1 TRP 503 1.290 0.127 -8.085 211 HD1 TRP 503 HD1 TRP 503 -2.446 -0.527 -8.854 212 HE1 TRP 503 HE1 TRP 503 -2.597 -1.765 -11.103 213 HE3 TRP 503 HE3 TRP 503 2.525 -1.117 -9.774 214 HZ2 TRP 503 HZ2 TRP 503 -0.834 -2.871 -12.998 215 HZ3 TRP 503 HZ3 TRP 503 3.212 -2.301 -11.811 216 HH2 TRP 503 HH2 TRP 503 1.570 -3.158 -13.387 217 H LEU 504 HN LEU 504 1.557 -1.743 -5.084 218 HA LEU 504 HA LEU 504 2.024 0.446 -3.294 219 HB2 LEU 504 HB2 LEU 504 2.222 -1.807 -2.469 220 HB3 LEU 504 HB1 LEU 504 3.396 -2.194 -3.700 221 HG LEU 504 HG LEU 504 4.979 -0.591 -2.632 222 HD11 LEU 504 HD11 LEU 504 4.518 0.139 -0.345 223 HD12 LEU 504 HD12 LEU 504 2.890 -0.528 -0.462 224 HD13 LEU 504 HD13 LEU 504 3.366 0.823 -1.492 225 HD21 LEU 504 HD21 LEU 504 3.951 -2.819 -0.882 226 HD22 LEU 504 HD22 LEU 504 5.538 -2.058 -0.761 227 HD23 LEU 504 HD23 LEU 504 5.110 -2.984 -2.200 228 H ARG 505 HN ARG 505 2.815 2.168 -4.384 229 HA ARG 505 HA ARG 505 5.061 1.843 -6.193 230 HB2 ARG 505 HB2 ARG 505 2.960 3.658 -6.045 231 HB3 ARG 505 HB1 ARG 505 4.380 4.585 -5.580 232 HG2 ARG 505 HG2 ARG 505 5.504 3.643 -7.641 233 HG3 ARG 505 HG1 ARG 505 3.907 3.074 -8.129 234 HD2 ARG 505 HD2 ARG 505 4.434 5.927 -7.405 235 HD3 ARG 505 HD1 ARG 505 4.693 5.317 -9.035 236 HE ARG 505 HE ARG 505 2.184 4.567 -8.653 237 HH11 ARG 505 HH11 ARG 505 3.727 7.586 -7.796 238 HH12 ARG 505 HH12 ARG 505 2.304 8.541 -8.069 239 HH21 ARG 505 HH21 ARG 505 0.314 5.820 -9.047 240 HH22 ARG 505 HH22 ARG 505 0.356 7.535 -8.776 241 H ILE 506 HN ILE 506 7.060 1.891 -5.522 242 HA ILE 506 HA ILE 506 7.695 2.637 -2.824 243 HB ILE 506 HB ILE 506 9.646 2.005 -5.012 244 HG12 ILE 506 HG12 ILE 506 8.052 0.163 -4.866 245 HG13 ILE 506 HG11 ILE 506 9.604 -0.325 -4.195 246 HG21 ILE 506 HG21 ILE 506 11.046 1.275 -3.095 247 HG22 ILE 506 HG22 ILE 506 9.813 1.931 -2.019 248 HG23 ILE 506 HG23 ILE 506 10.685 3.002 -3.117 249 HD11 ILE 506 HD11 ILE 506 7.784 -1.153 -2.842 250 HD12 ILE 506 HD12 ILE 506 7.165 0.484 -2.630 251 HD13 ILE 506 HD13 ILE 506 8.724 0.035 -1.939 252 H GLU 507 HN GLU 507 7.818 4.657 -2.270 253 HA GLU 507 HA GLU 507 8.210 6.753 -4.151 254 HB2 GLU 507 HB2 GLU 507 6.648 7.108 -2.394 255 HB3 GLU 507 HB1 GLU 507 7.808 6.625 -1.167 256 HG2 GLU 507 HG2 GLU 507 7.582 8.955 -1.024 257 HG3 GLU 507 HG1 GLU 507 9.139 8.617 -1.768 258 H ASP 508 HN ASP 508 10.014 5.651 -1.265 259 HA ASP 508 HA ASP 508 12.438 6.795 -2.486 260 HB2 ASP 508 HB2 ASP 508 11.454 8.266 -0.654 261 HB3 ASP 508 HB1 ASP 508 11.881 6.979 0.471 262 H ILE 509 HN ILE 509 13.610 5.066 -2.952 263 HA ILE 509 HA ILE 509 13.471 2.658 -1.446 264 HB ILE 509 HB ILE 509 15.242 1.855 -2.991 265 HG12 ILE 509 HG12 ILE 509 15.294 3.605 -5.064 266 HG13 ILE 509 HG11 ILE 509 15.283 4.717 -3.698 267 HG21 ILE 509 HG21 ILE 509 12.803 3.121 -4.199 268 HG22 ILE 509 HG22 ILE 509 12.946 1.495 -3.530 269 HG23 ILE 509 HG23 ILE 509 13.814 1.922 -5.004 270 HD11 ILE 509 HD11 ILE 509 17.221 3.499 -2.766 271 HD12 ILE 509 HD12 ILE 509 17.542 4.279 -4.316 272 HD13 ILE 509 HD13 ILE 509 17.272 2.535 -4.243 273 H LYS 510 HN LYS 510 15.332 5.480 -1.070 274 HA LYS 510 HA LYS 510 17.572 4.136 0.169 275 HB2 LYS 510 HB2 LYS 510 16.859 7.053 -0.096 276 HB3 LYS 510 HB1 LYS 510 18.314 6.472 0.687 277 HG2 LYS 510 HG2 LYS 510 17.563 6.133 -2.205 278 HG3 LYS 510 HG1 LYS 510 18.827 7.173 -1.552 279 HD2 LYS 510 HD2 LYS 510 18.769 4.158 -1.404 280 HD3 LYS 510 HD1 LYS 510 19.745 5.118 -2.514 281 HE2 LYS 510 HE2 LYS 510 20.929 6.109 -0.620 282 HE3 LYS 510 HE1 LYS 510 19.942 5.167 0.496 283 HZ1 LYS 510 HZ1 LYS 510 20.870 3.148 -0.400 284 HZ2 LYS 510 HZ2 LYS 510 22.126 4.169 0.089 285 HZ3 LYS 510 HZ3 LYS 510 21.758 4.012 -1.551 286 H LYS 511 HN LYS 511 14.493 5.140 1.050 287 HA LYS 511 HA LYS 511 14.978 5.500 3.843 288 HB2 LYS 511 HB2 LYS 511 13.128 6.672 2.989 289 HB3 LYS 511 HB1 LYS 511 12.599 5.304 2.019 290 HG2 LYS 511 HG2 LYS 511 11.054 5.426 3.744 291 HG3 LYS 511 HG1 LYS 511 12.182 4.149 4.196 292 HD2 LYS 511 HD2 LYS 511 13.358 5.650 5.681 293 HD3 LYS 511 HD1 LYS 511 12.311 6.976 5.180 294 HE2 LYS 511 HE2 LYS 511 10.374 5.774 6.095 295 HE3 LYS 511 HE1 LYS 511 11.443 4.475 6.621 296 HZ1 LYS 511 HZ1 LYS 511 10.965 5.943 8.447 297 HZ2 LYS 511 HZ2 LYS 511 11.496 7.288 7.571 298 HZ3 LYS 511 HZ3 LYS 511 12.597 6.091 8.033 299 H LEU 512 HN LEU 512 14.672 2.951 1.647 300 HA LEU 512 HA LEU 512 13.756 1.028 3.664 301 HB2 LEU 512 HB2 LEU 512 14.115 0.517 0.726 302 HB3 LEU 512 HB1 LEU 512 13.114 -0.362 1.867 303 HG LEU 512 HG LEU 512 12.585 2.461 0.937 304 HD11 LEU 512 HD11 LEU 512 11.339 -0.149 0.112 305 HD12 LEU 512 HD12 LEU 512 12.318 0.922 -0.890 306 HD13 LEU 512 HD13 LEU 512 10.736 1.450 -0.321 307 HD21 LEU 512 HD21 LEU 512 10.905 0.553 2.561 308 HD22 LEU 512 HD22 LEU 512 10.397 2.139 1.978 309 HD23 LEU 512 HD23 LEU 512 11.700 2.010 3.159 310 H LYS 513 HN LYS 513 14.772 -1.232 3.287 311 HA LYS 513 HA LYS 513 17.612 -1.021 2.596 312 HB2 LYS 513 HB2 LYS 513 17.348 -0.710 5.069 313 HB3 LYS 513 HB1 LYS 513 16.646 -2.318 5.150 314 HG2 LYS 513 HG2 LYS 513 18.993 -2.326 5.801 315 HG3 LYS 513 HG1 LYS 513 18.725 -3.285 4.343 316 HD2 LYS 513 HD2 LYS 513 19.548 -1.464 2.964 317 HD3 LYS 513 HD1 LYS 513 19.742 -0.444 4.389 318 HE2 LYS 513 HE2 LYS 513 21.417 -1.959 5.274 319 HE3 LYS 513 HE1 LYS 513 21.181 -3.051 3.912 320 HZ1 LYS 513 HZ1 LYS 513 21.978 -1.309 2.435 321 HZ2 LYS 513 HZ2 LYS 513 23.135 -1.682 3.608 322 HZ3 LYS 513 HZ3 LYS 513 22.214 -0.271 3.751 323 H GLY 514 HN GLY 514 16.693 -2.098 0.711 324 HA2 GLY 514 HA2 GLY 514 17.063 -4.929 0.870 325 HA3 GLY 514 HA1 GLY 514 15.374 -4.506 0.621 326 H LYS 515 HN LYS 515 15.436 -5.531 -1.428 327 HA LYS 515 HA LYS 515 17.072 -4.198 -3.464 328 HB2 LYS 515 HB2 LYS 515 15.440 -6.738 -3.604 329 HB3 LYS 515 HB1 LYS 515 16.393 -6.082 -4.926 330 HG2 LYS 515 HG2 LYS 515 18.425 -6.361 -3.602 331 HG3 LYS 515 HG1 LYS 515 17.469 -7.020 -2.276 332 HD2 LYS 515 HD2 LYS 515 16.761 -8.875 -3.696 333 HD3 LYS 515 HD1 LYS 515 17.685 -8.206 -5.042 334 HE2 LYS 515 HE2 LYS 515 18.829 -9.137 -2.411 335 HE3 LYS 515 HE1 LYS 515 18.885 -10.031 -3.926 336 HZ1 LYS 515 HZ1 LYS 515 20.196 -8.232 -4.885 337 HZ2 LYS 515 HZ2 LYS 515 20.958 -8.882 -3.524 338 HZ3 LYS 515 HZ3 LYS 515 20.160 -7.397 -3.414 339 H TYR 516 HN TYR 516 15.971 -2.316 -3.852 340 HA TYR 516 HA TYR 516 13.329 -2.621 -5.108 341 HB2 TYR 516 HB2 TYR 516 14.063 -0.293 -3.325 342 HB3 TYR 516 HB1 TYR 516 12.492 -0.638 -4.036 343 HD1 TYR 516 HD1 TYR 516 11.126 -2.516 -3.131 344 HD2 TYR 516 HD2 TYR 516 14.760 -1.282 -1.316 345 HE1 TYR 516 HE1 TYR 516 10.498 -3.708 -1.071 346 HE2 TYR 516 HE2 TYR 516 14.150 -2.465 0.741 347 HH TYR 516 HH TYR 516 12.311 -3.336 1.880 348 H LYS 517 HN LYS 517 12.793 -0.446 -6.280 349 HA LYS 517 HA LYS 517 15.199 0.826 -7.360 350 HB2 LYS 517 HB2 LYS 517 13.048 -0.510 -9.016 351 HB3 LYS 517 HB1 LYS 517 14.211 0.631 -9.678 352 HG2 LYS 517 HG2 LYS 517 16.038 -0.867 -9.006 353 HG3 LYS 517 HG1 LYS 517 14.850 -2.016 -8.394 354 HD2 LYS 517 HD2 LYS 517 15.051 -1.078 -11.254 355 HD3 LYS 517 HD1 LYS 517 15.679 -2.607 -10.640 356 HE2 LYS 517 HE2 LYS 517 13.383 -3.231 -9.962 357 HE3 LYS 517 HE1 LYS 517 12.792 -1.735 -10.682 358 HZ1 LYS 517 HZ1 LYS 517 14.116 -3.979 -12.101 359 HZ2 LYS 517 HZ2 LYS 517 13.706 -2.509 -12.821 360 HZ3 LYS 517 HZ3 LYS 517 12.494 -3.522 -12.220 361 H ASP 518 HN ASP 518 14.760 2.843 -8.437 362 HA ASP 518 HA ASP 518 12.643 4.313 -7.151 363 HB2 ASP 518 HB2 ASP 518 14.930 5.240 -7.435 364 HB3 ASP 518 HB1 ASP 518 14.693 5.244 -9.177 365 H ASN 519 HN ASN 519 11.743 2.341 -8.860 366 HA ASN 519 HA ASN 519 9.757 3.672 -10.322 367 HB2 ASN 519 HB2 ASN 519 11.654 3.969 -11.944 368 HB3 ASN 519 HB1 ASN 519 11.794 2.217 -12.035 369 HD21 ASN 519 HD21 ASN 519 9.762 4.965 -12.783 370 HD22 ASN 519 HD22 ASN 519 8.805 4.171 -13.986 371 H GLU 520 HN GLU 520 9.657 1.964 -8.313 372 HA GLU 520 HA GLU 520 8.946 -0.629 -9.512 373 HB2 GLU 520 HB2 GLU 520 10.964 -0.679 -8.020 374 HB3 GLU 520 HB1 GLU 520 9.937 -0.151 -6.696 375 HG2 GLU 520 HG2 GLU 520 10.269 -2.521 -6.560 376 HG3 GLU 520 HG1 GLU 520 8.586 -2.193 -6.969 377 H ALA 521 HN ALA 521 6.867 -1.057 -9.411 378 HA ALA 521 HA ALA 521 5.328 -0.162 -7.078 379 HB1 ALA 521 HB1 ALA 521 4.348 0.004 -9.929 380 HB2 ALA 521 HB2 ALA 521 4.823 1.378 -8.932 381 HB3 ALA 521 HB3 ALA 521 3.423 0.402 -8.481 382 H ILE 522 HN ILE 522 4.342 -1.742 -6.150 383 HA ILE 522 HA ILE 522 4.215 -4.306 -7.554 384 HB ILE 522 HB ILE 522 4.141 -3.643 -4.616 385 HG12 ILE 522 HG12 ILE 522 6.243 -5.179 -6.126 386 HG13 ILE 522 HG11 ILE 522 6.314 -3.436 -5.928 387 HG21 ILE 522 HG21 ILE 522 4.142 -6.331 -5.976 388 HG22 ILE 522 HG22 ILE 522 2.786 -5.619 -5.103 389 HG23 ILE 522 HG23 ILE 522 4.261 -6.059 -4.239 390 HD11 ILE 522 HD11 ILE 522 6.167 -5.367 -3.636 391 HD12 ILE 522 HD12 ILE 522 6.501 -3.636 -3.565 392 HD13 ILE 522 HD13 ILE 522 7.673 -4.731 -4.297 393 H GLU 523 HN GLU 523 2.323 -4.468 -8.560 394 HA GLU 523 HA GLU 523 -0.144 -3.407 -7.573 395 HB2 GLU 523 HB2 GLU 523 0.067 -3.596 -9.906 396 HB3 GLU 523 HB1 GLU 523 0.612 -5.257 -9.829 397 HG2 GLU 523 HG2 GLU 523 -1.679 -5.864 -8.995 398 HG3 GLU 523 HG1 GLU 523 -2.157 -4.192 -9.303 399 H PHE 524 HN PHE 524 -1.557 -4.315 -6.221 400 HA PHE 524 HA PHE 524 -1.700 -7.188 -5.857 401 HB2 PHE 524 HB2 PHE 524 -1.335 -7.132 -3.452 402 HB3 PHE 524 HB1 PHE 524 0.078 -6.481 -4.267 403 HD1 PHE 524 HD2 PHE 524 0.448 -4.014 -4.287 404 HD2 PHE 524 HD1 PHE 524 -2.561 -5.843 -1.893 405 HE1 PHE 524 HE2 PHE 524 0.308 -1.980 -2.911 406 HE2 PHE 524 HE1 PHE 524 -2.700 -3.815 -0.513 407 HZ PHE 524 HZ PHE 524 -1.244 -1.911 -0.969 408 H SER 525 HN SER 525 -3.727 -7.838 -5.182 409 HA SER 525 HA SER 525 -5.766 -5.778 -5.155 410 HB2 SER 525 HB2 SER 525 -6.009 -8.793 -5.006 411 HB3 SER 525 HB1 SER 525 -7.359 -7.670 -5.168 412 HG SER 525 HG SER 525 -5.219 -8.008 -7.018 413 H PHE 526 HN PHE 526 -7.199 -5.352 -3.407 414 HA PHE 526 HA PHE 526 -6.326 -6.525 -0.848 415 HB2 PHE 526 HB2 PHE 526 -5.334 -4.205 -1.289 416 HB3 PHE 526 HB1 PHE 526 -6.977 -3.594 -1.165 417 HD1 PHE 526 HD1 PHE 526 -8.161 -3.631 0.960 418 HD2 PHE 526 HD2 PHE 526 -4.129 -4.943 0.649 419 HE1 PHE 526 HE1 PHE 526 -7.934 -3.496 3.404 420 HE2 PHE 526 HE2 PHE 526 -3.893 -4.813 3.095 421 HZ PHE 526 HZ PHE 526 -5.782 -4.080 4.472 422 H ASP 527 HN ASP 527 -7.969 -7.428 0.131 423 HA ASP 527 HA ASP 527 -10.686 -6.513 -0.359 424 HB2 ASP 527 HB2 ASP 527 -10.053 -8.957 -0.164 425 HB3 ASP 527 HB1 ASP 527 -9.748 -8.668 1.543 426 H LEU 528 HN LEU 528 -11.453 -4.872 0.778 427 HA LEU 528 HA LEU 528 -9.940 -3.690 2.855 428 HB2 LEU 528 HB2 LEU 528 -12.709 -3.122 1.823 429 HB3 LEU 528 HB1 LEU 528 -11.862 -2.109 2.971 430 HG LEU 528 HG LEU 528 -10.855 -2.708 0.191 431 HD11 LEU 528 HD11 LEU 528 -11.572 -0.460 -0.378 432 HD12 LEU 528 HD12 LEU 528 -12.247 -0.250 1.239 433 HD13 LEU 528 HD13 LEU 528 -12.948 -1.437 0.136 434 HD21 LEU 528 HD21 LEU 528 -9.990 -0.665 2.230 435 HD22 LEU 528 HD22 LEU 528 -9.326 -0.865 0.607 436 HD23 LEU 528 HD23 LEU 528 -9.109 -2.135 1.809 437 H GLU 529 HN GLU 529 -12.028 -6.273 3.012 438 HA GLU 529 HA GLU 529 -12.612 -5.722 5.844 439 HB2 GLU 529 HB2 GLU 529 -13.940 -7.577 3.870 440 HB3 GLU 529 HB1 GLU 529 -14.246 -7.645 5.600 441 HG2 GLU 529 HG2 GLU 529 -14.963 -5.255 5.470 442 HG3 GLU 529 HG1 GLU 529 -14.841 -5.385 3.717 443 H ARG 530 HN ARG 530 -11.555 -8.246 3.592 444 HA ARG 530 HA ARG 530 -10.882 -10.048 5.732 445 HB2 ARG 530 HB2 ARG 530 -10.428 -10.253 2.759 446 HB3 ARG 530 HB1 ARG 530 -10.262 -11.556 3.915 447 HG2 ARG 530 HG2 ARG 530 -12.658 -11.374 4.445 448 HG3 ARG 530 HG1 ARG 530 -12.801 -10.097 3.240 449 HD2 ARG 530 HD2 ARG 530 -13.522 -12.227 2.315 450 HD3 ARG 530 HD1 ARG 530 -12.075 -11.645 1.497 451 HE ARG 530 HE ARG 530 -11.986 -13.710 3.605 452 HH11 ARG 530 HH11 ARG 530 -11.065 -12.513 0.448 453 HH12 ARG 530 HH12 ARG 530 -10.013 -13.847 0.104 454 HH21 ARG 530 HH21 ARG 530 -10.609 -15.483 3.149 455 HH22 ARG 530 HH22 ARG 530 -9.758 -15.540 1.637 456 H ASP 531 HN ASP 531 -9.080 -8.115 3.355 457 HA ASP 531 HA ASP 531 -6.590 -9.360 4.035 458 HB2 ASP 531 HB2 ASP 531 -7.416 -7.204 2.155 459 HB3 ASP 531 HB1 ASP 531 -5.727 -7.261 2.650 460 H VAL 532 HN VAL 532 -4.922 -8.611 5.185 461 HA VAL 532 HA VAL 532 -5.317 -6.150 6.768 462 HB VAL 532 HB VAL 532 -3.790 -8.654 7.523 463 HG11 VAL 532 HG11 VAL 532 -3.514 -7.578 9.717 464 HG12 VAL 532 HG12 VAL 532 -4.253 -6.111 9.076 465 HG13 VAL 532 HG13 VAL 532 -2.713 -6.679 8.428 466 HG21 VAL 532 HG21 VAL 532 -6.153 -9.036 7.657 467 HG22 VAL 532 HG22 VAL 532 -6.388 -7.527 8.538 468 HG23 VAL 532 HG23 VAL 532 -5.512 -8.861 9.290 469 HA PRO 533 HA PRO 533 -2.087 -4.563 4.266 470 HB2 PRO 533 HB2 PRO 533 -1.551 -2.879 6.658 471 HB3 PRO 533 HB1 PRO 533 -1.820 -2.413 4.977 472 HG2 PRO 533 HG2 PRO 533 -3.747 -2.086 6.766 473 HG3 PRO 533 HG1 PRO 533 -4.126 -2.666 5.135 474 HD2 PRO 533 HD2 PRO 533 -3.927 -4.197 7.697 475 HD3 PRO 533 HD1 PRO 533 -5.089 -4.373 6.367 476 H GLU 534 HN GLU 534 -1.242 -5.234 7.682 477 HA GLU 534 HA GLU 534 1.524 -5.528 7.120 478 HB2 GLU 534 HB2 GLU 534 -0.222 -6.248 9.429 479 HB3 GLU 534 HB1 GLU 534 1.380 -6.958 9.325 480 HG2 GLU 534 HG2 GLU 534 2.270 -4.610 9.076 481 HG3 GLU 534 HG1 GLU 534 0.659 -4.056 9.522 482 H ASP 535 HN ASP 535 -1.164 -7.790 7.292 483 HA ASP 535 HA ASP 535 0.245 -10.182 6.931 484 HB2 ASP 535 HB2 ASP 535 -2.186 -9.975 7.513 485 HB3 ASP 535 HB1 ASP 535 -2.505 -9.518 5.854 486 H VAL 536 HN VAL 536 -1.065 -7.870 4.638 487 HA VAL 536 HA VAL 536 -0.474 -9.306 2.279 488 HB VAL 536 HB VAL 536 -0.719 -6.314 2.608 489 HG11 VAL 536 HG11 VAL 536 -1.152 -8.080 0.201 490 HG12 VAL 536 HG12 VAL 536 0.225 -7.011 0.461 491 HG13 VAL 536 HG13 VAL 536 -1.393 -6.333 0.264 492 HG21 VAL 536 HG21 VAL 536 -3.074 -6.580 2.172 493 HG22 VAL 536 HG22 VAL 536 -2.624 -7.563 3.573 494 HG23 VAL 536 HG23 VAL 536 -2.878 -8.325 1.999 495 H ALA 537 HN ALA 537 1.307 -6.825 4.085 496 HA ALA 537 HA ALA 537 3.440 -6.625 2.251 497 HB1 ALA 537 HB1 ALA 537 4.654 -5.474 3.967 498 HB2 ALA 537 HB2 ALA 537 3.576 -6.107 5.215 499 HB3 ALA 537 HB3 ALA 537 2.968 -4.957 4.026 500 H GLN 538 HN GLN 538 2.698 -8.935 4.772 501 HA GLN 538 HA GLN 538 5.243 -10.184 4.864 502 HB2 GLN 538 HB2 GLN 538 2.471 -11.205 5.447 503 HB3 GLN 538 HB1 GLN 538 3.883 -12.245 5.548 504 HG2 GLN 538 HG2 GLN 538 3.365 -9.758 7.150 505 HG3 GLN 538 HG1 GLN 538 3.294 -11.419 7.729 506 HE21 GLN 538 HE21 GLN 538 5.696 -12.150 6.140 507 HE22 GLN 538 HE22 GLN 538 7.040 -11.473 6.999 508 H GLU 539 HN GLU 539 2.360 -10.716 2.877 509 HA GLU 539 HA GLU 539 3.329 -12.846 1.332 510 HB2 GLU 539 HB2 GLU 539 1.600 -10.621 0.239 511 HB3 GLU 539 HB1 GLU 539 1.635 -12.302 -0.269 512 HG2 GLU 539 HG2 GLU 539 0.691 -12.928 1.938 513 HG3 GLU 539 HG1 GLU 539 0.548 -11.213 2.315 514 H MET 540 HN MET 540 3.603 -9.371 0.982 515 HA MET 540 HA MET 540 5.017 -9.212 -1.401 516 HB2 MET 540 HB2 MET 540 5.091 -7.470 1.050 517 HB3 MET 540 HB1 MET 540 5.887 -7.059 -0.466 518 HG2 MET 540 HG2 MET 540 3.769 -7.117 -1.627 519 HG3 MET 540 HG1 MET 540 2.951 -7.593 -0.141 520 HE1 MET 540 HE1 MET 540 2.349 -5.213 -2.172 521 HE2 MET 540 HE2 MET 540 1.850 -3.926 -1.071 522 HE3 MET 540 HE3 MET 540 1.290 -5.578 -0.811 523 H VAL 541 HN VAL 541 6.181 -9.623 1.912 524 HA VAL 541 HA VAL 541 8.940 -9.604 1.270 525 HB VAL 541 HB VAL 541 7.557 -10.866 3.647 526 HG11 VAL 541 HG11 VAL 541 10.453 -10.117 3.241 527 HG12 VAL 541 HG12 VAL 541 9.805 -11.753 3.344 528 HG13 VAL 541 HG13 VAL 541 9.744 -10.690 4.751 529 HG21 VAL 541 HG21 VAL 541 8.855 -8.159 3.371 530 HG22 VAL 541 HG22 VAL 541 8.105 -8.817 4.825 531 HG23 VAL 541 HG23 VAL 541 7.118 -8.462 3.405 532 H GLU 542 HN GLU 542 6.647 -12.271 1.879 533 HA GLU 542 HA GLU 542 8.481 -14.358 1.550 534 HB2 GLU 542 HB2 GLU 542 5.507 -14.302 1.046 535 HB3 GLU 542 HB1 GLU 542 6.477 -15.765 1.129 536 HG2 GLU 542 HG2 GLU 542 7.092 -15.183 3.447 537 HG3 GLU 542 HG1 GLU 542 6.028 -13.783 3.351 538 H SER 543 HN SER 543 6.412 -12.731 -0.818 539 HA SER 543 HA SER 543 7.068 -14.511 -2.933 540 HB2 SER 543 HB2 SER 543 4.986 -13.108 -2.793 541 HB3 SER 543 HB1 SER 543 5.977 -11.705 -3.181 542 HG SER 543 HG SER 543 6.552 -13.536 -4.980 543 H GLY 544 HN GLY 544 8.781 -11.954 -1.488 544 HA2 GLY 544 HA2 GLY 544 11.090 -11.674 -1.942 545 HA3 GLY 544 HA1 GLY 544 10.813 -12.234 -3.581 546 H TYR 545 HN TYR 545 8.472 -9.997 -2.699 547 HA TYR 545 HA TYR 545 9.628 -8.007 -4.446 548 HB2 TYR 545 HB2 TYR 545 7.034 -8.105 -2.905 549 HB3 TYR 545 HB1 TYR 545 7.507 -6.754 -3.922 550 HD1 TYR 545 HD2 TYR 545 8.115 -7.381 -6.403 551 HD2 TYR 545 HD1 TYR 545 5.765 -9.799 -3.815 552 HE1 TYR 545 HE2 TYR 545 7.140 -8.512 -8.356 553 HE2 TYR 545 HE1 TYR 545 4.788 -10.940 -5.757 554 HH TYR 545 HH TYR 545 6.052 -10.587 -8.927 555 H VAL 546 HN VAL 546 8.698 -8.236 -1.046 556 HA VAL 546 HA VAL 546 10.152 -5.728 -0.540 557 HB VAL 546 HB VAL 546 7.829 -6.953 0.958 558 HG11 VAL 546 HG11 VAL 546 9.451 -5.929 2.502 559 HG12 VAL 546 HG12 VAL 546 7.904 -5.086 2.464 560 HG13 VAL 546 HG13 VAL 546 9.296 -4.412 1.616 561 HG21 VAL 546 HG21 VAL 546 7.309 -5.765 -1.161 562 HG22 VAL 546 HG22 VAL 546 8.047 -4.313 -0.483 563 HG23 VAL 546 HG23 VAL 546 6.604 -5.002 0.262 564 H CYS 547 HN CYS 547 11.570 -5.617 1.156 565 HA CYS 547 HA CYS 547 12.625 -8.121 2.164 566 HB2 CYS 547 HB2 CYS 547 14.168 -6.337 1.475 567 HB3 CYS 547 HB1 CYS 547 13.450 -5.243 2.649 568 HG CYS 547 HG CYS 547 15.914 -5.972 3.638 569 H GLU 548 HN GLU 548 12.482 -8.819 4.249 570 HA GLU 548 HA GLU 548 10.115 -8.274 5.628 571 HB2 GLU 548 HB2 GLU 548 11.355 -10.405 5.734 572 HB3 GLU 548 HB1 GLU 548 12.618 -9.617 6.651 573 HG2 GLU 548 HG2 GLU 548 11.255 -10.858 8.157 574 HG3 GLU 548 HG1 GLU 548 10.963 -9.142 8.433 575 H GLY 549 HN GLY 549 13.254 -6.816 5.869 576 HA2 GLY 549 HA2 GLY 549 12.939 -5.613 8.420 577 HA3 GLY 549 HA1 GLY 549 14.053 -5.099 7.165 578 H ASP 550 HN ASP 550 11.685 -4.826 5.285 579 HA ASP 550 HA ASP 550 10.879 -2.162 6.239 580 HB2 ASP 550 HB2 ASP 550 10.999 -3.258 3.421 581 HB3 ASP 550 HB1 ASP 550 10.431 -1.653 3.853 582 H HIS 551 HN HIS 551 9.675 -4.923 6.695 583 HA HIS 551 HA HIS 551 7.311 -5.273 5.283 584 HB2 HIS 551 HB2 HIS 551 8.002 -7.056 6.659 585 HB3 HIS 551 HB1 HIS 551 8.143 -6.031 8.079 586 HD1 HIS 551 HD1 HIS 551 6.184 -5.984 9.624 587 HD2 HIS 551 HD2 HIS 551 5.227 -7.582 5.911 588 HE1 HIS 551 HE1 HIS 551 3.800 -6.751 9.815 589 HE2 HIS 551 HE2 HIS 551 3.306 -7.873 7.616 590 H LYS 552 HN LYS 552 7.727 -3.551 8.410 591 HA LYS 552 HA LYS 552 4.975 -2.805 8.514 592 HB2 LYS 552 HB2 LYS 552 7.364 -1.781 10.043 593 HB3 LYS 552 HB1 LYS 552 5.714 -1.261 10.351 594 HG2 LYS 552 HG2 LYS 552 5.118 -3.621 10.831 595 HG3 LYS 552 HG1 LYS 552 6.819 -4.044 10.657 596 HD2 LYS 552 HD2 LYS 552 6.360 -3.778 12.991 597 HD3 LYS 552 HD1 LYS 552 7.333 -2.401 12.472 598 HE2 LYS 552 HE2 LYS 552 5.341 -1.017 12.330 599 HE3 LYS 552 HE1 LYS 552 4.331 -2.396 12.758 600 HZ1 LYS 552 HZ1 LYS 552 4.724 -0.951 14.650 601 HZ2 LYS 552 HZ2 LYS 552 6.394 -1.167 14.502 602 HZ3 LYS 552 HZ3 LYS 552 5.410 -2.475 14.914 603 H THR 553 HN THR 553 7.844 -1.377 7.186 604 HA THR 553 HA THR 553 6.900 1.240 6.782 605 HB THR 553 HB THR 553 8.840 -0.342 5.080 606 HG1 THR 553 HG1 THR 553 10.374 0.904 6.459 607 HG21 THR 553 HG21 THR 553 9.745 1.857 4.464 608 HG22 THR 553 HG22 THR 553 8.465 2.641 5.390 609 HG23 THR 553 HG23 THR 553 8.063 1.686 3.963 610 H MET 554 HN MET 554 6.755 -1.661 4.742 611 HA MET 554 HA MET 554 5.332 -0.417 2.614 612 HB2 MET 554 HB2 MET 554 5.565 -3.331 3.362 613 HB3 MET 554 HB1 MET 554 4.928 -2.726 1.841 614 HG2 MET 554 HG2 MET 554 7.725 -2.420 2.877 615 HG3 MET 554 HG1 MET 554 7.186 -3.443 1.547 616 HE1 MET 554 HE1 MET 554 9.563 -1.248 1.538 617 HE2 MET 554 HE2 MET 554 9.349 -0.576 -0.077 618 HE3 MET 554 HE3 MET 554 9.206 -2.315 0.178 619 H ALA 555 HN ALA 555 4.390 -2.397 5.373 620 HA ALA 555 HA ALA 555 1.660 -2.619 4.769 621 HB1 ALA 555 HB1 ALA 555 2.844 -3.953 6.489 622 HB2 ALA 555 HB2 ALA 555 1.364 -3.211 7.099 623 HB3 ALA 555 HB3 ALA 555 2.933 -2.514 7.508 624 H LYS 556 HN LYS 556 3.514 -0.089 6.359 625 HA LYS 556 HA LYS 556 1.301 1.432 7.233 626 HB2 LYS 556 HB2 LYS 556 3.572 1.761 8.108 627 HB3 LYS 556 HB1 LYS 556 4.091 2.347 6.531 628 HG2 LYS 556 HG2 LYS 556 3.691 4.203 8.014 629 HG3 LYS 556 HG1 LYS 556 2.501 4.197 6.711 630 HD2 LYS 556 HD2 LYS 556 0.913 3.055 8.249 631 HD3 LYS 556 HD1 LYS 556 2.090 3.266 9.547 632 HE2 LYS 556 HE2 LYS 556 0.776 5.461 7.955 633 HE3 LYS 556 HE1 LYS 556 0.393 5.010 9.614 634 HZ1 LYS 556 HZ1 LYS 556 2.692 5.599 10.215 635 HZ2 LYS 556 HZ2 LYS 556 1.808 6.912 9.625 636 HZ3 LYS 556 HZ3 LYS 556 2.953 6.155 8.636 637 H ALA 557 HN ALA 557 3.211 1.401 4.262 638 HA ALA 557 HA ALA 557 1.950 3.536 2.949 639 HB1 ALA 557 HB1 ALA 557 3.019 1.003 1.690 640 HB2 ALA 557 HB2 ALA 557 4.008 2.392 2.131 641 HB3 ALA 557 HB3 ALA 557 2.770 2.553 0.887 642 H ILE 558 HN ILE 558 1.219 0.086 3.038 643 HA ILE 558 HA ILE 558 -1.046 0.116 1.381 644 HB ILE 558 HB ILE 558 -0.487 -1.735 3.704 645 HG12 ILE 558 HG12 ILE 558 0.281 -2.053 0.805 646 HG13 ILE 558 HG11 ILE 558 1.384 -1.571 2.075 647 HG21 ILE 558 HG21 ILE 558 -2.205 -2.054 1.254 648 HG22 ILE 558 HG22 ILE 558 -2.754 -1.952 2.928 649 HG23 ILE 558 HG23 ILE 558 -1.819 -3.348 2.387 650 HD11 ILE 558 HD11 ILE 558 1.017 -3.712 3.189 651 HD12 ILE 558 HD12 ILE 558 1.648 -3.908 1.556 652 HD13 ILE 558 HD13 ILE 558 -0.062 -4.193 1.882 653 H LYS 559 HN LYS 559 -0.755 0.270 4.920 654 HA LYS 559 HA LYS 559 -3.536 0.424 5.403 655 HB2 LYS 559 HB2 LYS 559 -1.715 -0.248 7.042 656 HB3 LYS 559 HB1 LYS 559 -1.382 1.469 7.231 657 HG2 LYS 559 HG2 LYS 559 -3.539 1.879 8.125 658 HG3 LYS 559 HG1 LYS 559 -4.093 0.258 7.697 659 HD2 LYS 559 HD2 LYS 559 -2.354 -0.647 9.254 660 HD3 LYS 559 HD1 LYS 559 -2.049 1.012 9.778 661 HE2 LYS 559 HE2 LYS 559 -4.318 1.233 10.550 662 HE3 LYS 559 HE1 LYS 559 -4.734 -0.346 9.891 663 HZ1 LYS 559 HZ1 LYS 559 -2.854 0.189 12.125 664 HZ2 LYS 559 HZ2 LYS 559 -3.133 -1.334 11.449 665 HZ3 LYS 559 HZ3 LYS 559 -4.385 -0.520 12.243 666 H ASP 560 HN ASP 560 -1.060 2.859 4.826 667 HA ASP 560 HA ASP 560 -2.514 5.135 5.587 668 HB2 ASP 560 HB2 ASP 560 -0.098 5.151 5.040 669 HB3 ASP 560 HB1 ASP 560 -0.507 4.894 3.351 670 H ARG 561 HN ARG 561 -2.267 3.481 2.460 671 HA ARG 561 HA ARG 561 -4.042 5.217 1.118 672 HB2 ARG 561 HB2 ARG 561 -2.451 3.780 -0.083 673 HB3 ARG 561 HB1 ARG 561 -3.326 2.355 0.457 674 HG2 ARG 561 HG2 ARG 561 -3.844 3.056 -1.878 675 HG3 ARG 561 HG1 ARG 561 -5.249 2.964 -0.811 676 HD2 ARG 561 HD2 ARG 561 -5.137 5.375 -0.455 677 HD3 ARG 561 HD1 ARG 561 -3.742 5.473 -1.524 678 HE ARG 561 HE ARG 561 -6.456 4.720 -2.401 679 HH11 ARG 561 HH11 ARG 561 -3.309 6.085 -3.047 680 HH12 ARG 561 HH12 ARG 561 -3.813 6.905 -4.489 681 HH21 ARG 561 HH21 ARG 561 -7.139 5.821 -4.300 682 HH22 ARG 561 HH22 ARG 561 -5.985 6.743 -5.211 683 H VAL 562 HN VAL 562 -4.483 2.014 2.585 684 HA VAL 562 HA VAL 562 -7.182 1.711 1.943 685 HB VAL 562 HB VAL 562 -5.630 0.617 4.296 686 HG11 VAL 562 HG11 VAL 562 -7.385 -1.110 4.383 687 HG12 VAL 562 HG12 VAL 562 -8.297 -0.207 3.171 688 HG13 VAL 562 HG13 VAL 562 -7.996 0.502 4.757 689 HG21 VAL 562 HG21 VAL 562 -5.388 -1.377 2.938 690 HG22 VAL 562 HG22 VAL 562 -4.750 0.021 2.068 691 HG23 VAL 562 HG23 VAL 562 -6.332 -0.638 1.642 692 H SER 563 HN SER 563 -5.602 3.416 4.568 693 HA SER 563 HA SER 563 -7.878 3.907 6.150 694 HB2 SER 563 HB2 SER 563 -5.494 4.235 6.871 695 HB3 SER 563 HB1 SER 563 -5.445 5.685 5.871 696 HG SER 563 HG SER 563 -7.416 5.315 7.864 697 H LEU 564 HN LEU 564 -6.334 5.877 3.587 698 HA LEU 564 HA LEU 564 -8.263 7.948 3.790 699 HB2 LEU 564 HB2 LEU 564 -7.269 8.880 1.811 700 HB3 LEU 564 HB1 LEU 564 -6.022 8.324 2.893 701 HG LEU 564 HG LEU 564 -6.166 6.179 1.350 702 HD11 LEU 564 HD11 LEU 564 -7.005 8.448 -0.442 703 HD12 LEU 564 HD12 LEU 564 -7.961 7.022 -0.041 704 HD13 LEU 564 HD13 LEU 564 -6.483 6.855 -0.988 705 HD21 LEU 564 HD21 LEU 564 -4.158 7.476 1.795 706 HD22 LEU 564 HD22 LEU 564 -4.696 8.719 0.667 707 HD23 LEU 564 HD23 LEU 564 -4.283 7.113 0.074 708 H ILE 565 HN ILE 565 -7.926 5.122 1.756 709 HA ILE 565 HA ILE 565 -10.097 5.401 0.060 710 HB ILE 565 HB ILE 565 -8.842 2.994 1.340 711 HG12 ILE 565 HG12 ILE 565 -8.884 3.988 -1.503 712 HG13 ILE 565 HG11 ILE 565 -7.609 4.323 -0.343 713 HG21 ILE 565 HG21 ILE 565 -11.013 2.944 -0.756 714 HG22 ILE 565 HG22 ILE 565 -11.195 2.435 0.923 715 HG23 ILE 565 HG23 ILE 565 -10.111 1.553 -0.152 716 HD11 ILE 565 HD11 ILE 565 -7.118 1.962 -0.182 717 HD12 ILE 565 HD12 ILE 565 -6.994 2.533 -1.845 718 HD13 ILE 565 HD13 ILE 565 -8.406 1.609 -1.330 719 H LYS 566 HN LYS 566 -10.018 3.825 3.238 720 HA LYS 566 HA LYS 566 -12.795 3.364 3.413 721 HB2 LYS 566 HB2 LYS 566 -10.678 3.599 5.552 722 HB3 LYS 566 HB1 LYS 566 -12.340 3.142 5.887 723 HG2 LYS 566 HG2 LYS 566 -12.120 1.167 4.513 724 HG3 LYS 566 HG1 LYS 566 -10.494 1.652 4.035 725 HD2 LYS 566 HD2 LYS 566 -9.668 1.369 6.250 726 HD3 LYS 566 HD1 LYS 566 -11.295 1.158 6.895 727 HE2 LYS 566 HE2 LYS 566 -9.993 -0.709 4.919 728 HE3 LYS 566 HE1 LYS 566 -9.994 -0.956 6.662 729 HZ1 LYS 566 HZ1 LYS 566 -12.406 -0.798 4.940 730 HZ2 LYS 566 HZ2 LYS 566 -12.409 -1.026 6.613 731 HZ3 LYS 566 HZ3 LYS 566 -11.755 -2.215 5.600 732 H ARG 567 HN ARG 567 -10.795 6.110 4.380 733 HA ARG 567 HA ARG 567 -12.754 7.525 5.806 734 HB2 ARG 567 HB2 ARG 567 -10.443 8.171 5.971 735 HB3 ARG 567 HB1 ARG 567 -10.349 8.475 4.242 736 HG2 ARG 567 HG2 ARG 567 -10.461 10.544 5.509 737 HG3 ARG 567 HG1 ARG 567 -11.871 10.347 4.469 738 HD2 ARG 567 HD2 ARG 567 -13.075 9.411 6.474 739 HD3 ARG 567 HD1 ARG 567 -11.703 9.938 7.443 740 HE ARG 567 HE ARG 567 -12.344 12.212 6.236 741 HH11 ARG 567 HH11 ARG 567 -14.370 9.816 7.798 742 HH12 ARG 567 HH12 ARG 567 -15.612 10.965 8.210 743 HH21 ARG 567 HH21 ARG 567 -13.962 13.716 6.803 744 HH22 ARG 567 HH22 ARG 567 -15.383 13.180 7.646 745 H LYS 568 HN LYS 568 -12.003 7.409 2.350 746 HA LYS 568 HA LYS 568 -13.836 9.430 1.562 747 HB2 LYS 568 HB2 LYS 568 -12.689 7.081 0.037 748 HB3 LYS 568 HB1 LYS 568 -13.685 8.329 -0.698 749 HG2 LYS 568 HG2 LYS 568 -12.019 10.012 -0.123 750 HG3 LYS 568 HG1 LYS 568 -11.023 8.768 0.639 751 HD2 LYS 568 HD2 LYS 568 -10.789 7.622 -1.495 752 HD3 LYS 568 HD1 LYS 568 -11.835 8.814 -2.269 753 HE2 LYS 568 HE2 LYS 568 -10.212 10.567 -1.774 754 HE3 LYS 568 HE1 LYS 568 -9.178 9.393 -0.964 755 HZ1 LYS 568 HZ1 LYS 568 -8.876 8.241 -3.046 756 HZ2 LYS 568 HZ2 LYS 568 -8.449 9.864 -3.235 757 HZ3 LYS 568 HZ3 LYS 568 -9.926 9.303 -3.837 758 H ARG 569 HN ARG 569 -14.185 6.180 2.562 759 HA ARG 569 HA ARG 569 -16.821 5.870 1.380 760 HB2 ARG 569 HB2 ARG 569 -15.131 4.005 3.015 761 HB3 ARG 569 HB1 ARG 569 -16.716 3.604 2.361 762 HG2 ARG 569 HG2 ARG 569 -15.746 4.233 0.092 763 HG3 ARG 569 HG1 ARG 569 -14.171 4.156 0.888 764 HD2 ARG 569 HD2 ARG 569 -14.661 1.872 1.591 765 HD3 ARG 569 HD1 ARG 569 -16.212 1.959 0.760 766 HE ARG 569 HE ARG 569 -14.025 2.547 -0.980 767 HH11 ARG 569 HH11 ARG 569 -15.800 -0.048 0.541 768 HH12 ARG 569 HH12 ARG 569 -15.391 -1.211 -0.681 769 HH21 ARG 569 HH21 ARG 569 -13.496 1.019 -2.611 770 HH22 ARG 569 HH22 ARG 569 -14.095 -0.608 -2.456 771 H GLU 570 HN GLU 570 -15.691 7.373 4.074 772 HA GLU 570 HA GLU 570 -17.777 6.440 5.871 773 HB2 GLU 570 HB2 GLU 570 -15.758 8.662 6.245 774 HB3 GLU 570 HB1 GLU 570 -16.835 8.034 7.486 775 HG2 GLU 570 HG2 GLU 570 -15.742 5.802 7.169 776 HG3 GLU 570 HG1 GLU 570 -14.567 6.599 6.131 777 H GLN 571 HN GLN 571 -17.922 8.169 3.254 778 HA GLN 571 HA GLN 571 -20.314 9.547 4.072 779 HB2 GLN 571 HB2 GLN 571 -18.578 11.247 4.527 780 HB3 GLN 571 HB1 GLN 571 -18.003 11.096 2.873 781 HG2 GLN 571 HG2 GLN 571 -20.134 11.921 2.041 782 HG3 GLN 571 HG1 GLN 571 -20.740 12.041 3.691 783 HE21 GLN 571 HE21 GLN 571 -21.120 14.229 3.475 784 HE22 GLN 571 HE22 GLN 571 -19.839 15.391 3.466 785 H ARG 572 HN ARG 572 -21.683 9.968 2.287 786 HA ARG 572 HA ARG 572 -20.932 8.511 -0.123 787 HB2 ARG 572 HB2 ARG 572 -23.155 8.115 0.938 788 HB3 ARG 572 HB1 ARG 572 -23.586 9.780 0.573 789 HG2 ARG 572 HG2 ARG 572 -23.425 9.354 -1.792 790 HG3 ARG 572 HG1 ARG 572 -22.843 7.719 -1.487 791 HD2 ARG 572 HD2 ARG 572 -24.986 7.206 -0.369 792 HD3 ARG 572 HD1 ARG 572 -25.563 8.816 -0.794 793 HE ARG 572 HE ARG 572 -24.768 7.717 -3.168 794 HH11 ARG 572 HH11 ARG 572 -27.030 6.797 -0.662 795 HH12 ARG 572 HH12 ARG 572 -28.078 5.940 -1.746 796 HH21 ARG 572 HH21 ARG 572 -26.141 6.582 -4.595 797 HH22 ARG 572 HH22 ARG 572 -27.566 5.807 -3.978 Start of MODEL 3 1 H1 GLY 475 HT1 GLY 475 6.679 6.111 14.367 2 H2 GLY 475 HT2 GLY 475 5.634 4.936 14.985 3 H3 GLY 475 HT3 GLY 475 5.957 6.338 15.877 4 HA2 GLY 475 HA1 GLY 475 4.521 6.215 13.286 5 HA3 GLY 475 HA2 GLY 475 3.785 6.477 14.860 6 H ALA 476 HN ALA 476 2.939 8.468 14.053 7 HA ALA 476 HA ALA 476 4.880 10.646 14.255 8 HB1 ALA 476 HB1 ALA 476 3.986 11.765 12.282 9 HB2 ALA 476 HB2 ALA 476 2.905 10.404 11.986 10 HB3 ALA 476 HB3 ALA 476 4.651 10.188 11.857 11 H MET 477 HN MET 477 4.143 12.296 15.424 12 HA MET 477 HA MET 477 1.507 12.200 16.575 13 HB2 MET 477 HB2 MET 477 3.405 12.945 17.918 14 HB3 MET 477 HB1 MET 477 3.723 14.250 16.785 15 HG2 MET 477 HG2 MET 477 1.498 15.202 17.342 16 HG3 MET 477 HG1 MET 477 1.328 13.957 18.578 17 HE1 MET 477 HE1 MET 477 3.369 17.045 17.356 18 HE2 MET 477 HE2 MET 477 4.659 15.865 17.581 19 HE3 MET 477 HE3 MET 477 4.547 17.263 18.648 20 H ASP 478 HN ASP 478 3.136 13.876 14.024 21 HA ASP 478 HA ASP 478 0.912 15.700 13.565 22 HB2 ASP 478 HB2 ASP 478 2.276 16.716 11.891 23 HB3 ASP 478 HB1 ASP 478 3.319 16.398 13.271 24 HA PRO 479 HA PRO 479 -1.237 13.175 10.593 25 HB2 PRO 479 HB2 PRO 479 -1.728 15.775 9.257 26 HB3 PRO 479 HB1 PRO 479 -2.887 14.571 9.828 27 HG2 PRO 479 HG2 PRO 479 -2.546 16.866 11.131 28 HG3 PRO 479 HG1 PRO 479 -2.802 15.348 12.013 29 HD2 PRO 479 HD2 PRO 479 -0.263 16.853 11.545 30 HD3 PRO 479 HD1 PRO 479 -0.826 16.016 12.997 31 H GLN 480 HN GLN 480 1.478 13.120 10.085 32 HA GLN 480 HA GLN 480 2.123 14.106 7.487 33 HB2 GLN 480 HB2 GLN 480 3.786 13.503 9.283 34 HB3 GLN 480 HB1 GLN 480 3.415 11.815 8.973 35 HG2 GLN 480 HG2 GLN 480 4.229 12.017 6.706 36 HG3 GLN 480 HG1 GLN 480 4.530 13.738 6.946 37 HE21 GLN 480 HE21 GLN 480 5.634 10.517 7.584 38 HE22 GLN 480 HE22 GLN 480 7.159 10.958 8.265 39 H GLU 481 HN GLU 481 1.677 10.769 8.658 40 HA GLU 481 HA GLU 481 1.015 8.859 7.615 41 HB2 GLU 481 HB2 GLU 481 -0.880 10.788 6.260 42 HB3 GLU 481 HB1 GLU 481 -1.093 9.045 6.367 43 HG2 GLU 481 HG2 GLU 481 -0.921 10.869 8.751 44 HG3 GLU 481 HG1 GLU 481 -2.434 10.367 8.000 45 H GLU 482 HN GLU 482 3.252 10.001 6.500 46 HA GLU 482 HA GLU 482 3.071 9.034 3.757 47 HB2 GLU 482 HB2 GLU 482 3.064 11.340 3.339 48 HB3 GLU 482 HB1 GLU 482 4.134 11.683 4.692 49 HG2 GLU 482 HG2 GLU 482 5.990 10.686 3.516 50 HG3 GLU 482 HG1 GLU 482 4.936 10.262 2.171 51 H THR 483 HN THR 483 4.958 8.057 3.017 52 HA THR 483 HA THR 483 7.313 8.019 4.708 53 HB THR 483 HB THR 483 6.154 5.376 3.832 54 HG1 THR 483 HG1 THR 483 5.345 7.006 5.958 55 HG21 THR 483 HG21 THR 483 8.392 5.207 4.527 56 HG22 THR 483 HG22 THR 483 7.444 4.687 5.921 57 HG23 THR 483 HG23 THR 483 8.137 6.309 5.878 58 H GLY 484 HN GLY 484 8.892 6.261 3.398 59 HA2 GLY 484 HA2 GLY 484 9.197 7.336 0.759 60 HA3 GLY 484 HA1 GLY 484 10.156 6.043 1.478 61 H VAL 485 HN VAL 485 6.689 6.114 1.115 62 HA VAL 485 HA VAL 485 6.625 4.332 -1.147 63 HB VAL 485 HB VAL 485 5.003 2.846 0.297 64 HG11 VAL 485 HG11 VAL 485 6.762 1.252 0.700 65 HG12 VAL 485 HG12 VAL 485 7.985 2.517 0.541 66 HG13 VAL 485 HG13 VAL 485 7.023 2.041 -0.859 67 HG21 VAL 485 HG21 VAL 485 5.145 4.138 2.310 68 HG22 VAL 485 HG22 VAL 485 6.899 3.949 2.352 69 HG23 VAL 485 HG23 VAL 485 5.853 2.546 2.595 70 H ARG 486 HN ARG 486 4.430 4.053 -1.892 71 HA ARG 486 HA ARG 486 2.291 5.431 -0.578 72 HB2 ARG 486 HB2 ARG 486 3.338 7.355 -1.571 73 HB3 ARG 486 HB1 ARG 486 3.423 6.566 -3.138 74 HG2 ARG 486 HG2 ARG 486 1.634 8.257 -2.983 75 HG3 ARG 486 HG1 ARG 486 1.030 6.642 -3.358 76 HD2 ARG 486 HD2 ARG 486 -0.389 7.719 -1.709 77 HD3 ARG 486 HD1 ARG 486 0.427 6.321 -1.004 78 HE ARG 486 HE ARG 486 1.851 8.768 -0.553 79 HH11 ARG 486 HH11 ARG 486 -0.817 6.813 0.565 80 HH12 ARG 486 HH12 ARG 486 -0.773 7.430 2.192 81 HH21 ARG 486 HH21 ARG 486 1.911 9.605 1.577 82 HH22 ARG 486 HH22 ARG 486 0.778 9.023 2.764 83 H VAL 487 HN VAL 487 0.397 4.581 -1.129 84 HA VAL 487 HA VAL 487 0.437 2.633 -3.323 85 HB VAL 487 HB VAL 487 -1.363 2.652 -0.901 86 HG11 VAL 487 HG11 VAL 487 -2.010 0.423 -1.611 87 HG12 VAL 487 HG12 VAL 487 -0.934 0.533 -3.004 88 HG13 VAL 487 HG13 VAL 487 -2.344 1.586 -2.896 89 HG21 VAL 487 HG21 VAL 487 0.965 2.252 -0.342 90 HG22 VAL 487 HG22 VAL 487 1.036 0.969 -1.553 91 HG23 VAL 487 HG23 VAL 487 0.000 0.787 -0.137 92 H GLU 488 HN GLU 488 -0.882 2.818 -4.930 93 HA GLU 488 HA GLU 488 -3.067 4.801 -4.807 94 HB2 GLU 488 HB2 GLU 488 -1.106 4.306 -7.063 95 HB3 GLU 488 HB1 GLU 488 -2.545 5.300 -7.210 96 HG2 GLU 488 HG2 GLU 488 -0.215 5.818 -5.375 97 HG3 GLU 488 HG1 GLU 488 -0.562 6.661 -6.884 98 H LEU 489 HN LEU 489 -4.788 4.410 -6.319 99 HA LEU 489 HA LEU 489 -5.443 1.612 -6.467 100 HB2 LEU 489 HB2 LEU 489 -6.924 4.014 -7.521 101 HB3 LEU 489 HB1 LEU 489 -7.560 2.389 -7.417 102 HG LEU 489 HG LEU 489 -6.743 4.041 -5.030 103 HD11 LEU 489 HD11 LEU 489 -9.446 3.520 -6.273 104 HD12 LEU 489 HD12 LEU 489 -8.619 5.074 -6.151 105 HD13 LEU 489 HD13 LEU 489 -9.190 4.260 -4.696 106 HD21 LEU 489 HD21 LEU 489 -7.884 2.377 -3.732 107 HD22 LEU 489 HD22 LEU 489 -6.706 1.558 -4.763 108 HD23 LEU 489 HD23 LEU 489 -8.414 1.534 -5.190 109 H ALA 490 HN ALA 490 -5.244 0.327 -8.176 110 HA ALA 490 HA ALA 490 -4.146 1.208 -10.661 111 HB1 ALA 490 HB1 ALA 490 -5.629 -1.360 -10.095 112 HB2 ALA 490 HB2 ALA 490 -3.920 -1.109 -9.745 113 HB3 ALA 490 HB3 ALA 490 -4.499 -1.053 -11.412 114 H GLU 491 HN GLU 491 -7.263 0.812 -9.305 115 HA GLU 491 HA GLU 491 -8.592 1.656 -11.796 116 HB2 GLU 491 HB2 GLU 491 -9.775 0.245 -9.397 117 HB3 GLU 491 HB1 GLU 491 -10.610 0.632 -10.891 118 HG2 GLU 491 HG2 GLU 491 -8.291 -1.264 -10.643 119 HG3 GLU 491 HG1 GLU 491 -9.988 -1.728 -10.728 120 H GLU 492 HN GLU 492 -10.977 2.414 -10.563 121 HA GLU 492 HA GLU 492 -10.177 4.441 -8.588 122 HB2 GLU 492 HB2 GLU 492 -12.553 4.527 -10.463 123 HB3 GLU 492 HB1 GLU 492 -12.127 5.758 -9.283 124 HG2 GLU 492 HG2 GLU 492 -9.981 6.086 -10.493 125 HG3 GLU 492 HG1 GLU 492 -10.566 4.977 -11.730 126 H ASP 493 HN ASP 493 -11.854 4.816 -6.883 127 HA ASP 493 HA ASP 493 -13.396 2.364 -6.408 128 HB2 ASP 493 HB2 ASP 493 -11.225 2.212 -5.222 129 HB3 ASP 493 HB1 ASP 493 -11.646 3.670 -4.329 130 H ASP 494 HN ASP 494 -15.385 3.259 -6.639 131 HA ASP 494 HA ASP 494 -16.247 4.893 -4.392 132 HB2 ASP 494 HB2 ASP 494 -17.555 6.414 -5.871 133 HB3 ASP 494 HB1 ASP 494 -15.814 6.599 -6.048 134 H GLY 495 HN GLY 495 -16.558 2.108 -5.509 135 HA2 GLY 495 HA2 GLY 495 -19.487 2.091 -5.798 136 HA3 GLY 495 HA1 GLY 495 -18.422 0.843 -6.417 137 H GLU 496 HN GLU 496 -18.499 -0.956 -5.337 138 HA GLU 496 HA GLU 496 -18.983 -0.886 -2.446 139 HB2 GLU 496 HB2 GLU 496 -20.746 -2.599 -2.699 140 HB3 GLU 496 HB1 GLU 496 -21.156 -1.077 -3.486 141 HG2 GLU 496 HG2 GLU 496 -20.571 -1.991 -5.644 142 HG3 GLU 496 HG1 GLU 496 -20.068 -3.502 -4.891 143 H LYS 497 HN LYS 497 -17.073 -1.954 -4.850 144 HA LYS 497 HA LYS 497 -16.699 -4.675 -4.309 145 HB2 LYS 497 HB2 LYS 497 -14.437 -4.236 -5.372 146 HB3 LYS 497 HB1 LYS 497 -15.848 -3.882 -6.343 147 HG2 LYS 497 HG2 LYS 497 -15.579 -1.481 -5.677 148 HG3 LYS 497 HG1 LYS 497 -14.042 -1.932 -4.934 149 HD2 LYS 497 HD2 LYS 497 -13.205 -2.716 -7.064 150 HD3 LYS 497 HD1 LYS 497 -14.763 -2.397 -7.825 151 HE2 LYS 497 HE2 LYS 497 -13.314 -0.603 -8.399 152 HE3 LYS 497 HE1 LYS 497 -14.468 0.008 -7.217 153 HZ1 LYS 497 HZ1 LYS 497 -11.747 -0.922 -6.511 154 HZ2 LYS 497 HZ2 LYS 497 -12.835 -0.079 -5.516 155 HZ3 LYS 497 HZ3 LYS 497 -12.126 0.691 -6.850 156 H ILE 498 HN ILE 498 -15.840 -5.666 -2.666 157 HA ILE 498 HA ILE 498 -14.705 -4.213 -0.472 158 HB ILE 498 HB ILE 498 -15.206 -7.137 -0.950 159 HG12 ILE 498 HG12 ILE 498 -17.055 -5.403 -0.442 160 HG13 ILE 498 HG11 ILE 498 -17.018 -6.891 0.480 161 HG21 ILE 498 HG21 ILE 498 -13.236 -7.043 0.420 162 HG22 ILE 498 HG22 ILE 498 -14.612 -7.477 1.440 163 HG23 ILE 498 HG23 ILE 498 -13.975 -5.832 1.468 164 HD11 ILE 498 HD11 ILE 498 -15.880 -4.281 1.429 165 HD12 ILE 498 HD12 ILE 498 -16.027 -5.777 2.360 166 HD13 ILE 498 HD13 ILE 498 -17.476 -4.902 1.854 167 H ALA 499 HN ALA 499 -13.589 -6.256 -3.062 168 HA ALA 499 HA ALA 499 -10.828 -5.994 -2.126 169 HB1 ALA 499 HB1 ALA 499 -12.055 -7.780 -4.208 170 HB2 ALA 499 HB2 ALA 499 -11.527 -8.244 -2.590 171 HB3 ALA 499 HB3 ALA 499 -10.337 -7.742 -3.797 172 H ILE 500 HN ILE 500 -9.480 -4.650 -3.083 173 HA ILE 500 HA ILE 500 -10.285 -3.434 -5.641 174 HB ILE 500 HB ILE 500 -9.239 -1.380 -4.909 175 HG12 ILE 500 HG12 ILE 500 -8.616 -2.916 -2.382 176 HG13 ILE 500 HG11 ILE 500 -7.454 -2.255 -3.519 177 HG21 ILE 500 HG21 ILE 500 -11.120 -2.503 -2.854 178 HG22 ILE 500 HG22 ILE 500 -11.577 -1.734 -4.375 179 HG23 ILE 500 HG23 ILE 500 -10.790 -0.789 -3.109 180 HD11 ILE 500 HD11 ILE 500 -8.124 -0.009 -2.926 181 HD12 ILE 500 HD12 ILE 500 -7.620 -0.915 -1.499 182 HD13 ILE 500 HD13 ILE 500 -9.335 -0.651 -1.817 183 H LYS 501 HN LYS 501 -8.313 -2.326 -6.686 184 HA LYS 501 HA LYS 501 -6.034 -4.183 -6.509 185 HB2 LYS 501 HB2 LYS 501 -7.549 -4.027 -8.650 186 HB3 LYS 501 HB1 LYS 501 -6.615 -2.575 -8.966 187 HG2 LYS 501 HG2 LYS 501 -5.632 -4.411 -10.147 188 HG3 LYS 501 HG1 LYS 501 -4.547 -3.931 -8.839 189 HD2 LYS 501 HD2 LYS 501 -5.335 -5.771 -7.469 190 HD3 LYS 501 HD1 LYS 501 -6.516 -6.216 -8.700 191 HE2 LYS 501 HE2 LYS 501 -3.526 -6.232 -9.070 192 HE3 LYS 501 HE1 LYS 501 -4.508 -7.652 -8.720 193 HZ1 LYS 501 HZ1 LYS 501 -5.696 -7.287 -10.798 194 HZ2 LYS 501 HZ2 LYS 501 -4.038 -7.475 -11.072 195 HZ3 LYS 501 HZ3 LYS 501 -4.734 -5.936 -11.136 196 H LEU 502 HN LEU 502 -4.346 -3.263 -5.574 197 HA LEU 502 HA LEU 502 -3.959 -0.352 -5.860 198 HB2 LEU 502 HB2 LEU 502 -3.130 -2.231 -3.646 199 HB3 LEU 502 HB1 LEU 502 -2.716 -0.531 -3.715 200 HG LEU 502 HG LEU 502 -5.575 -1.462 -3.657 201 HD11 LEU 502 HD11 LEU 502 -4.418 -2.374 -1.704 202 HD12 LEU 502 HD12 LEU 502 -5.541 -1.092 -1.250 203 HD13 LEU 502 HD13 LEU 502 -3.810 -0.766 -1.316 204 HD21 LEU 502 HD21 LEU 502 -6.040 0.762 -2.961 205 HD22 LEU 502 HD22 LEU 502 -4.977 0.872 -4.368 206 HD23 LEU 502 HD23 LEU 502 -4.328 1.123 -2.747 207 H TRP 503 HN TRP 503 -1.800 0.422 -6.093 208 HA TRP 503 HA TRP 503 0.238 -1.644 -6.584 209 HB2 TRP 503 HB2 TRP 503 -0.111 1.029 -7.932 210 HB3 TRP 503 HB1 TRP 503 1.389 0.119 -7.999 211 HD1 TRP 503 HD1 TRP 503 -2.323 -0.553 -8.836 212 HE1 TRP 503 HE1 TRP 503 -2.425 -1.861 -11.054 213 HE3 TRP 503 HE3 TRP 503 2.671 -1.184 -9.626 214 HZ2 TRP 503 HZ2 TRP 503 -0.622 -3.017 -12.873 215 HZ3 TRP 503 HZ3 TRP 503 3.400 -2.427 -11.614 216 HH2 TRP 503 HH2 TRP 503 1.791 -3.324 -13.204 217 H LEU 504 HN LEU 504 1.790 -1.654 -5.133 218 HA LEU 504 HA LEU 504 2.152 0.516 -3.269 219 HB2 LEU 504 HB2 LEU 504 2.353 -1.768 -2.512 220 HB3 LEU 504 HB1 LEU 504 3.614 -2.085 -3.672 221 HG LEU 504 HG LEU 504 5.045 -0.413 -2.465 222 HD11 LEU 504 HD11 LEU 504 4.412 0.174 -0.178 223 HD12 LEU 504 HD12 LEU 504 2.840 -0.587 -0.418 224 HD13 LEU 504 HD13 LEU 504 3.282 0.840 -1.356 225 HD21 LEU 504 HD21 LEU 504 5.304 -2.813 -2.137 226 HD22 LEU 504 HD22 LEU 504 4.069 -2.784 -0.880 227 HD23 LEU 504 HD23 LEU 504 5.595 -1.935 -0.636 228 H ARG 505 HN ARG 505 2.945 2.261 -4.339 229 HA ARG 505 HA ARG 505 5.186 2.047 -6.148 230 HB2 ARG 505 HB2 ARG 505 3.894 4.496 -4.962 231 HB3 ARG 505 HB1 ARG 505 5.063 4.484 -6.270 232 HG2 ARG 505 HG2 ARG 505 3.429 3.161 -7.610 233 HG3 ARG 505 HG1 ARG 505 2.253 3.416 -6.317 234 HD2 ARG 505 HD2 ARG 505 2.558 5.845 -6.570 235 HD3 ARG 505 HD1 ARG 505 3.657 5.541 -7.911 236 HE ARG 505 HE ARG 505 1.175 4.280 -8.392 237 HH11 ARG 505 HH11 ARG 505 2.698 7.426 -8.338 238 HH12 ARG 505 HH12 ARG 505 1.583 8.136 -9.459 239 HH21 ARG 505 HH21 ARG 505 -0.313 5.204 -9.864 240 HH22 ARG 505 HH22 ARG 505 -0.131 6.864 -10.335 241 H ILE 506 HN ILE 506 7.227 1.890 -5.475 242 HA ILE 506 HA ILE 506 7.935 2.579 -2.754 243 HB ILE 506 HB ILE 506 9.814 1.761 -4.960 244 HG12 ILE 506 HG12 ILE 506 8.063 0.061 -4.778 245 HG13 ILE 506 HG11 ILE 506 9.582 -0.550 -4.131 246 HG21 ILE 506 HG21 ILE 506 11.158 0.930 -3.045 247 HG22 ILE 506 HG22 ILE 506 9.992 1.694 -1.964 248 HG23 ILE 506 HG23 ILE 506 10.945 2.681 -3.077 249 HD11 ILE 506 HD11 ILE 506 7.234 0.453 -2.541 250 HD12 ILE 506 HD12 ILE 506 8.769 -0.081 -1.860 251 HD13 ILE 506 HD13 ILE 506 7.746 -1.224 -2.729 252 H GLU 507 HN GLU 507 8.204 4.648 -2.272 253 HA GLU 507 HA GLU 507 8.761 6.586 -4.306 254 HB2 GLU 507 HB2 GLU 507 8.301 6.818 -1.332 255 HB3 GLU 507 HB1 GLU 507 8.500 8.187 -2.415 256 HG2 GLU 507 HG2 GLU 507 6.351 6.113 -2.713 257 HG3 GLU 507 HG1 GLU 507 6.148 7.631 -1.841 258 H ASP 508 HN ASP 508 10.412 5.454 -1.359 259 HA ASP 508 HA ASP 508 12.878 6.654 -2.427 260 HB2 ASP 508 HB2 ASP 508 11.833 8.055 -0.589 261 HB3 ASP 508 HB1 ASP 508 12.160 6.713 0.504 262 H ILE 509 HN ILE 509 13.926 4.861 -2.992 263 HA ILE 509 HA ILE 509 13.714 2.439 -1.510 264 HB ILE 509 HB ILE 509 15.233 1.503 -3.170 265 HG12 ILE 509 HG12 ILE 509 15.562 3.345 -5.142 266 HG13 ILE 509 HG11 ILE 509 15.760 4.348 -3.709 267 HG21 ILE 509 HG21 ILE 509 12.877 1.626 -3.682 268 HG22 ILE 509 HG22 ILE 509 13.829 1.877 -5.145 269 HG23 ILE 509 HG23 ILE 509 13.080 3.251 -4.332 270 HD11 ILE 509 HD11 ILE 509 17.489 2.794 -2.904 271 HD12 ILE 509 HD12 ILE 509 17.902 3.552 -4.443 272 HD13 ILE 509 HD13 ILE 509 17.329 1.884 -4.408 273 H LYS 510 HN LYS 510 15.762 5.152 -1.298 274 HA LYS 510 HA LYS 510 18.053 3.815 -0.227 275 HB2 LYS 510 HB2 LYS 510 17.148 6.684 -0.262 276 HB3 LYS 510 HB1 LYS 510 18.610 6.183 0.566 277 HG2 LYS 510 HG2 LYS 510 18.069 5.766 -2.365 278 HG3 LYS 510 HG1 LYS 510 19.020 7.087 -1.691 279 HD2 LYS 510 HD2 LYS 510 19.647 4.145 -1.435 280 HD3 LYS 510 HD1 LYS 510 20.452 5.283 -2.515 281 HE2 LYS 510 HE2 LYS 510 20.424 5.422 0.501 282 HE3 LYS 510 HE1 LYS 510 21.766 4.869 -0.493 283 HZ1 LYS 510 HZ1 LYS 510 20.613 7.601 -0.589 284 HZ2 LYS 510 HZ2 LYS 510 21.970 7.057 -1.435 285 HZ3 LYS 510 HZ3 LYS 510 22.017 7.178 0.251 286 H LYS 511 HN LYS 511 15.131 5.237 1.044 287 HA LYS 511 HA LYS 511 15.792 5.149 3.784 288 HB2 LYS 511 HB2 LYS 511 13.222 5.205 2.228 289 HB3 LYS 511 HB1 LYS 511 13.253 5.193 3.975 290 HG2 LYS 511 HG2 LYS 511 14.677 7.258 2.340 291 HG3 LYS 511 HG1 LYS 511 13.015 7.445 2.899 292 HD2 LYS 511 HD2 LYS 511 13.736 7.241 5.186 293 HD3 LYS 511 HD1 LYS 511 15.397 6.958 4.678 294 HE2 LYS 511 HE2 LYS 511 13.840 9.471 4.092 295 HE3 LYS 511 HE1 LYS 511 14.955 9.287 5.443 296 HZ1 LYS 511 HZ1 LYS 511 15.676 9.043 2.570 297 HZ2 LYS 511 HZ2 LYS 511 16.742 8.882 3.871 298 HZ3 LYS 511 HZ3 LYS 511 16.009 10.372 3.558 299 H LEU 512 HN LEU 512 15.062 2.736 1.520 300 HA LEU 512 HA LEU 512 14.217 0.832 3.585 301 HB2 LEU 512 HB2 LEU 512 14.285 0.335 0.622 302 HB3 LEU 512 HB1 LEU 512 13.334 -0.489 1.844 303 HG LEU 512 HG LEU 512 12.902 2.363 0.952 304 HD11 LEU 512 HD11 LEU 512 11.403 -0.157 0.296 305 HD12 LEU 512 HD12 LEU 512 12.353 0.830 -0.814 306 HD13 LEU 512 HD13 LEU 512 10.875 1.476 -0.102 307 HD21 LEU 512 HD21 LEU 512 11.255 0.595 2.756 308 HD22 LEU 512 HD22 LEU 512 10.823 2.218 2.214 309 HD23 LEU 512 HD23 LEU 512 12.221 1.981 3.263 310 H LYS 513 HN LYS 513 15.108 -1.456 3.181 311 HA LYS 513 HA LYS 513 17.866 -1.355 2.185 312 HB2 LYS 513 HB2 LYS 513 17.976 -1.098 4.625 313 HB3 LYS 513 HB1 LYS 513 17.037 -2.567 4.832 314 HG2 LYS 513 HG2 LYS 513 19.457 -2.876 5.217 315 HG3 LYS 513 HG1 LYS 513 18.817 -3.904 3.935 316 HD2 LYS 513 HD2 LYS 513 19.664 -2.311 2.263 317 HD3 LYS 513 HD1 LYS 513 20.338 -1.323 3.560 318 HE2 LYS 513 HE2 LYS 513 21.798 -3.138 4.222 319 HE3 LYS 513 HE1 LYS 513 21.069 -4.198 3.018 320 HZ1 LYS 513 HZ1 LYS 513 22.623 -1.732 2.449 321 HZ2 LYS 513 HZ2 LYS 513 21.903 -2.725 1.282 322 HZ3 LYS 513 HZ3 LYS 513 23.164 -3.321 2.237 323 H GLY 514 HN GLY 514 16.628 -2.304 0.384 324 HA2 GLY 514 HA2 GLY 514 16.871 -5.189 0.506 325 HA3 GLY 514 HA1 GLY 514 15.243 -4.596 0.210 326 H LYS 515 HN LYS 515 14.895 -5.096 -1.856 327 HA LYS 515 HA LYS 515 16.751 -3.973 -3.842 328 HB2 LYS 515 HB2 LYS 515 16.987 -6.391 -3.806 329 HB3 LYS 515 HB1 LYS 515 15.255 -6.593 -4.011 330 HG2 LYS 515 HG2 LYS 515 15.416 -5.524 -6.219 331 HG3 LYS 515 HG1 LYS 515 17.162 -5.386 -6.007 332 HD2 LYS 515 HD2 LYS 515 15.624 -7.983 -5.993 333 HD3 LYS 515 HD1 LYS 515 16.493 -7.336 -7.384 334 HE2 LYS 515 HE2 LYS 515 18.583 -7.416 -6.113 335 HE3 LYS 515 HE1 LYS 515 17.713 -8.062 -4.723 336 HZ1 LYS 515 HZ1 LYS 515 17.922 -9.390 -7.370 337 HZ2 LYS 515 HZ2 LYS 515 17.161 -10.016 -5.998 338 HZ3 LYS 515 HZ3 LYS 515 18.835 -9.791 -6.004 339 H TYR 516 HN TYR 516 15.609 -2.170 -4.212 340 HA TYR 516 HA TYR 516 12.981 -2.478 -5.482 341 HB2 TYR 516 HB2 TYR 516 13.563 -0.235 -3.550 342 HB3 TYR 516 HB1 TYR 516 12.015 -0.675 -4.256 343 HD1 TYR 516 HD1 TYR 516 10.834 -2.679 -3.456 344 HD2 TYR 516 HD2 TYR 516 14.362 -1.269 -1.552 345 HE1 TYR 516 HE1 TYR 516 10.300 -4.038 -1.486 346 HE2 TYR 516 HE2 TYR 516 13.839 -2.626 0.431 347 HH TYR 516 HH TYR 516 11.379 -5.031 0.405 348 H LYS 517 HN LYS 517 12.457 -0.709 -6.915 349 HA LYS 517 HA LYS 517 14.829 0.851 -7.718 350 HB2 LYS 517 HB2 LYS 517 12.436 -0.008 -9.355 351 HB3 LYS 517 HB1 LYS 517 13.733 1.021 -9.943 352 HG2 LYS 517 HG2 LYS 517 15.330 -0.767 -9.665 353 HG3 LYS 517 HG1 LYS 517 14.087 -1.799 -8.955 354 HD2 LYS 517 HD2 LYS 517 14.480 -2.369 -11.298 355 HD3 LYS 517 HD1 LYS 517 12.843 -1.760 -11.053 356 HE2 LYS 517 HE2 LYS 517 13.845 -0.838 -13.081 357 HE3 LYS 517 HE1 LYS 517 13.514 0.423 -11.897 358 HZ1 LYS 517 HZ1 LYS 517 15.847 0.391 -11.268 359 HZ2 LYS 517 HZ2 LYS 517 15.680 0.712 -12.917 360 HZ3 LYS 517 HZ3 LYS 517 16.162 -0.823 -12.400 361 H ASP 518 HN ASP 518 14.499 3.048 -8.398 362 HA ASP 518 HA ASP 518 12.697 4.358 -6.567 363 HB2 ASP 518 HB2 ASP 518 13.827 6.454 -7.347 364 HB3 ASP 518 HB1 ASP 518 14.915 5.246 -6.676 365 H ASN 519 HN ASN 519 11.427 3.013 -8.651 366 HA ASN 519 HA ASN 519 9.405 4.835 -9.239 367 HB2 ASN 519 HB2 ASN 519 11.126 5.643 -10.930 368 HB3 ASN 519 HB1 ASN 519 10.963 4.080 -11.724 369 HD21 ASN 519 HD21 ASN 519 10.157 4.951 -13.611 370 HD22 ASN 519 HD22 ASN 519 8.567 5.624 -13.726 371 H GLU 520 HN GLU 520 9.649 2.390 -8.090 372 HA GLU 520 HA GLU 520 8.472 0.528 -10.034 373 HB2 GLU 520 HB2 GLU 520 10.517 -0.408 -9.352 374 HB3 GLU 520 HB1 GLU 520 10.295 0.093 -7.684 375 HG2 GLU 520 HG2 GLU 520 8.611 -1.574 -7.348 376 HG3 GLU 520 HG1 GLU 520 8.638 -2.002 -9.061 377 H ALA 521 HN ALA 521 6.568 -0.428 -9.546 378 HA ALA 521 HA ALA 521 5.423 0.051 -6.888 379 HB1 ALA 521 HB1 ALA 521 4.536 1.741 -8.452 380 HB2 ALA 521 HB2 ALA 521 3.289 0.657 -7.837 381 HB3 ALA 521 HB3 ALA 521 3.918 0.442 -9.472 382 H ILE 522 HN ILE 522 4.356 -1.564 -6.041 383 HA ILE 522 HA ILE 522 4.324 -4.082 -7.541 384 HB ILE 522 HB ILE 522 4.301 -3.519 -4.578 385 HG12 ILE 522 HG12 ILE 522 6.408 -4.933 -6.202 386 HG13 ILE 522 HG11 ILE 522 6.433 -3.201 -5.922 387 HG21 ILE 522 HG21 ILE 522 4.348 -6.170 -6.008 388 HG22 ILE 522 HG22 ILE 522 2.997 -5.526 -5.076 389 HG23 ILE 522 HG23 ILE 522 4.511 -5.936 -4.269 390 HD11 ILE 522 HD11 ILE 522 7.853 -4.620 -4.392 391 HD12 ILE 522 HD12 ILE 522 6.339 -5.181 -3.677 392 HD13 ILE 522 HD13 ILE 522 6.764 -3.473 -3.615 393 H GLU 523 HN GLU 523 2.403 -4.389 -8.469 394 HA GLU 523 HA GLU 523 -0.071 -3.378 -7.466 395 HB2 GLU 523 HB2 GLU 523 0.117 -3.636 -9.795 396 HB3 GLU 523 HB1 GLU 523 0.686 -5.288 -9.668 397 HG2 GLU 523 HG2 GLU 523 -1.596 -5.842 -8.713 398 HG3 GLU 523 HG1 GLU 523 -2.083 -4.217 -9.198 399 H PHE 524 HN PHE 524 -1.445 -4.275 -6.071 400 HA PHE 524 HA PHE 524 -1.574 -7.158 -5.734 401 HB2 PHE 524 HB2 PHE 524 -1.363 -7.084 -3.293 402 HB3 PHE 524 HB1 PHE 524 0.104 -6.475 -4.049 403 HD1 PHE 524 HD2 PHE 524 0.498 -3.982 -4.095 404 HD2 PHE 524 HD1 PHE 524 -2.601 -5.785 -1.801 405 HE1 PHE 524 HE2 PHE 524 0.339 -1.951 -2.717 406 HE2 PHE 524 HE1 PHE 524 -2.759 -3.759 -0.417 407 HZ PHE 524 HZ PHE 524 -1.286 -1.840 -0.872 408 H SER 525 HN SER 525 -3.602 -7.847 -5.083 409 HA SER 525 HA SER 525 -5.708 -5.860 -5.086 410 HB2 SER 525 HB2 SER 525 -6.072 -8.006 -6.249 411 HB3 SER 525 HB1 SER 525 -5.843 -8.871 -4.732 412 HG SER 525 HG SER 525 -7.784 -8.308 -4.090 413 H PHE 526 HN PHE 526 -7.029 -5.351 -3.304 414 HA PHE 526 HA PHE 526 -6.136 -6.521 -0.754 415 HB2 PHE 526 HB2 PHE 526 -5.246 -4.158 -1.142 416 HB3 PHE 526 HB1 PHE 526 -6.917 -3.620 -1.042 417 HD1 PHE 526 HD2 PHE 526 -4.104 -5.044 0.808 418 HD2 PHE 526 HD1 PHE 526 -8.099 -3.615 1.045 419 HE1 PHE 526 HE2 PHE 526 -3.933 -4.985 3.259 420 HE2 PHE 526 HE1 PHE 526 -7.936 -3.550 3.499 421 HZ PHE 526 HZ PHE 526 -5.852 -4.238 4.605 422 H ASP 527 HN ASP 527 -7.771 -7.660 -0.034 423 HA ASP 527 HA ASP 527 -10.505 -6.850 -0.474 424 HB2 ASP 527 HB2 ASP 527 -9.653 -9.262 -0.232 425 HB3 ASP 527 HB1 ASP 527 -9.555 -8.929 1.495 426 H LEU 528 HN LEU 528 -11.029 -5.002 0.507 427 HA LEU 528 HA LEU 528 -9.714 -3.857 2.662 428 HB2 LEU 528 HB2 LEU 528 -12.510 -3.423 1.634 429 HB3 LEU 528 HB1 LEU 528 -11.735 -2.390 2.813 430 HG LEU 528 HG LEU 528 -10.626 -2.856 0.050 431 HD11 LEU 528 HD11 LEU 528 -12.843 -1.804 -0.064 432 HD12 LEU 528 HD12 LEU 528 -11.558 -0.692 -0.536 433 HD13 LEU 528 HD13 LEU 528 -12.295 -0.559 1.061 434 HD21 LEU 528 HD21 LEU 528 -9.032 -2.110 1.783 435 HD22 LEU 528 HD22 LEU 528 -10.062 -0.709 2.085 436 HD23 LEU 528 HD23 LEU 528 -9.281 -0.911 0.514 437 H GLU 529 HN GLU 529 -12.276 -6.185 2.662 438 HA GLU 529 HA GLU 529 -12.946 -5.683 5.425 439 HB2 GLU 529 HB2 GLU 529 -14.656 -5.974 3.718 440 HB3 GLU 529 HB1 GLU 529 -14.028 -7.571 3.354 441 HG2 GLU 529 HG2 GLU 529 -16.014 -7.634 4.682 442 HG3 GLU 529 HG1 GLU 529 -14.642 -8.337 5.501 443 H ARG 530 HN ARG 530 -11.645 -8.334 3.412 444 HA ARG 530 HA ARG 530 -11.268 -10.001 5.749 445 HB2 ARG 530 HB2 ARG 530 -10.742 -10.393 2.815 446 HB3 ARG 530 HB1 ARG 530 -10.321 -11.587 4.026 447 HG2 ARG 530 HG2 ARG 530 -12.627 -11.847 4.649 448 HG3 ARG 530 HG1 ARG 530 -13.096 -10.533 3.569 449 HD2 ARG 530 HD2 ARG 530 -12.317 -11.826 1.651 450 HD3 ARG 530 HD1 ARG 530 -11.824 -13.132 2.726 451 HE ARG 530 HE ARG 530 -14.499 -12.721 3.227 452 HH11 ARG 530 HH11 ARG 530 -12.546 -13.559 0.451 453 HH12 ARG 530 HH12 ARG 530 -13.784 -14.518 -0.296 454 HH21 ARG 530 HH21 ARG 530 -16.144 -13.987 2.244 455 HH22 ARG 530 HH22 ARG 530 -15.834 -14.745 0.714 456 H ASP 531 HN ASP 531 -9.227 -8.257 3.429 457 HA ASP 531 HA ASP 531 -6.841 -9.574 4.329 458 HB2 ASP 531 HB2 ASP 531 -7.387 -7.419 2.320 459 HB3 ASP 531 HB1 ASP 531 -5.739 -7.758 2.833 460 H VAL 532 HN VAL 532 -4.966 -8.525 5.077 461 HA VAL 532 HA VAL 532 -5.425 -6.094 6.671 462 HB VAL 532 HB VAL 532 -3.869 -8.560 7.495 463 HG11 VAL 532 HG11 VAL 532 -4.237 -5.960 8.978 464 HG12 VAL 532 HG12 VAL 532 -2.740 -6.521 8.234 465 HG13 VAL 532 HG13 VAL 532 -3.430 -7.401 9.596 466 HG21 VAL 532 HG21 VAL 532 -6.276 -8.820 7.732 467 HG22 VAL 532 HG22 VAL 532 -6.358 -7.316 8.650 468 HG23 VAL 532 HG23 VAL 532 -5.500 -8.708 9.311 469 HA PRO 533 HA PRO 533 -2.113 -4.496 4.222 470 HB2 PRO 533 HB2 PRO 533 -1.627 -2.824 6.640 471 HB3 PRO 533 HB1 PRO 533 -1.882 -2.329 4.964 472 HG2 PRO 533 HG2 PRO 533 -3.829 -2.021 6.716 473 HG3 PRO 533 HG1 PRO 533 -4.195 -2.635 5.094 474 HD2 PRO 533 HD2 PRO 533 -3.913 -4.143 7.670 475 HD3 PRO 533 HD1 PRO 533 -5.147 -4.309 6.405 476 H GLU 534 HN GLU 534 -1.451 -5.147 7.659 477 HA GLU 534 HA GLU 534 1.341 -5.403 7.349 478 HB2 GLU 534 HB2 GLU 534 -0.472 -6.589 9.449 479 HB3 GLU 534 HB1 GLU 534 1.276 -6.482 9.553 480 HG2 GLU 534 HG2 GLU 534 0.793 -4.627 10.721 481 HG3 GLU 534 HG1 GLU 534 0.723 -3.911 9.117 482 H ASP 535 HN ASP 535 -1.327 -7.592 6.886 483 HA ASP 535 HA ASP 535 0.230 -9.995 6.862 484 HB2 ASP 535 HB2 ASP 535 -2.279 -9.830 7.280 485 HB3 ASP 535 HB1 ASP 535 -2.459 -9.585 5.551 486 H VAL 536 HN VAL 536 -1.149 -7.863 4.414 487 HA VAL 536 HA VAL 536 -0.344 -9.317 2.155 488 HB VAL 536 HB VAL 536 -0.778 -6.337 2.412 489 HG11 VAL 536 HG11 VAL 536 -0.780 -8.088 -0.047 490 HG12 VAL 536 HG12 VAL 536 0.487 -6.943 0.394 491 HG13 VAL 536 HG13 VAL 536 -1.132 -6.360 0.001 492 HG21 VAL 536 HG21 VAL 536 -3.025 -6.799 1.597 493 HG22 VAL 536 HG22 VAL 536 -2.716 -7.684 3.097 494 HG23 VAL 536 HG23 VAL 536 -2.664 -8.523 1.544 495 H ALA 537 HN ALA 537 1.308 -6.806 4.024 496 HA ALA 537 HA ALA 537 3.542 -6.606 2.296 497 HB1 ALA 537 HB1 ALA 537 4.642 -5.417 4.072 498 HB2 ALA 537 HB2 ALA 537 3.473 -6.020 5.250 499 HB3 ALA 537 HB3 ALA 537 2.955 -4.901 3.988 500 H GLN 538 HN GLN 538 2.623 -8.935 4.690 501 HA GLN 538 HA GLN 538 5.222 -10.120 4.961 502 HB2 GLN 538 HB2 GLN 538 2.446 -10.897 5.744 503 HB3 GLN 538 HB1 GLN 538 3.674 -12.155 5.669 504 HG2 GLN 538 HG2 GLN 538 4.144 -9.628 7.197 505 HG3 GLN 538 HG1 GLN 538 3.246 -10.970 7.903 506 HE21 GLN 538 HE21 GLN 538 5.809 -11.638 5.653 507 HE22 GLN 538 HE22 GLN 538 6.946 -12.218 6.814 508 H GLU 539 HN GLU 539 2.342 -10.735 3.028 509 HA GLU 539 HA GLU 539 3.263 -12.908 1.524 510 HB2 GLU 539 HB2 GLU 539 1.580 -10.627 0.464 511 HB3 GLU 539 HB1 GLU 539 1.605 -12.286 -0.114 512 HG2 GLU 539 HG2 GLU 539 0.700 -11.517 2.643 513 HG3 GLU 539 HG1 GLU 539 -0.383 -11.629 1.259 514 H MET 540 HN MET 540 3.626 -9.439 1.102 515 HA MET 540 HA MET 540 4.995 -9.358 -1.301 516 HB2 MET 540 HB2 MET 540 5.137 -7.593 1.122 517 HB3 MET 540 HB1 MET 540 5.996 -7.231 -0.371 518 HG2 MET 540 HG2 MET 540 3.908 -7.211 -1.594 519 HG3 MET 540 HG1 MET 540 3.029 -7.619 -0.122 520 HE1 MET 540 HE1 MET 540 1.481 -5.526 -0.833 521 HE2 MET 540 HE2 MET 540 2.571 -5.242 -2.188 522 HE3 MET 540 HE3 MET 540 2.131 -3.909 -1.116 523 H VAL 541 HN VAL 541 6.231 -9.863 1.970 524 HA VAL 541 HA VAL 541 8.979 -9.904 1.272 525 HB VAL 541 HB VAL 541 7.611 -11.212 3.633 526 HG11 VAL 541 HG11 VAL 541 10.509 -10.455 3.265 527 HG12 VAL 541 HG12 VAL 541 9.867 -12.096 3.206 528 HG13 VAL 541 HG13 VAL 541 9.790 -11.172 4.706 529 HG21 VAL 541 HG21 VAL 541 7.180 -8.817 3.528 530 HG22 VAL 541 HG22 VAL 541 8.910 -8.503 3.386 531 HG23 VAL 541 HG23 VAL 541 8.260 -9.204 4.868 532 H GLU 542 HN GLU 542 6.578 -12.477 1.765 533 HA GLU 542 HA GLU 542 8.406 -14.592 1.325 534 HB2 GLU 542 HB2 GLU 542 5.399 -14.594 1.087 535 HB3 GLU 542 HB1 GLU 542 6.424 -16.023 1.187 536 HG2 GLU 542 HG2 GLU 542 7.245 -15.041 3.408 537 HG3 GLU 542 HG1 GLU 542 5.844 -13.984 3.297 538 H SER 543 HN SER 543 6.316 -12.737 -0.771 539 HA SER 543 HA SER 543 6.598 -14.488 -3.011 540 HB2 SER 543 HB2 SER 543 4.621 -13.013 -2.660 541 HB3 SER 543 HB1 SER 543 5.649 -11.612 -2.948 542 HG SER 543 HG SER 543 5.983 -13.326 -4.960 543 H GLY 544 HN GLY 544 8.596 -12.130 -1.612 544 HA2 GLY 544 HA2 GLY 544 10.819 -11.748 -2.246 545 HA3 GLY 544 HA1 GLY 544 10.456 -12.406 -3.833 546 H TYR 545 HN TYR 545 8.442 -9.937 -2.423 547 HA TYR 545 HA TYR 545 9.426 -8.058 -4.452 548 HB2 TYR 545 HB2 TYR 545 6.829 -8.218 -2.934 549 HB3 TYR 545 HB1 TYR 545 7.295 -6.804 -3.864 550 HD1 TYR 545 HD2 TYR 545 8.239 -7.585 -6.342 551 HD2 TYR 545 HD1 TYR 545 5.306 -9.565 -3.985 552 HE1 TYR 545 HE2 TYR 545 7.308 -8.607 -8.376 553 HE2 TYR 545 HE1 TYR 545 4.365 -10.592 -6.013 554 HH TYR 545 HH TYR 545 4.296 -10.107 -8.463 555 H VAL 546 HN VAL 546 8.827 -8.421 -1.016 556 HA VAL 546 HA VAL 546 10.225 -5.869 -0.552 557 HB VAL 546 HB VAL 546 7.866 -6.972 0.989 558 HG11 VAL 546 HG11 VAL 546 9.402 -4.438 1.516 559 HG12 VAL 546 HG12 VAL 546 9.543 -5.919 2.461 560 HG13 VAL 546 HG13 VAL 546 8.013 -5.045 2.418 561 HG21 VAL 546 HG21 VAL 546 8.131 -4.418 -0.594 562 HG22 VAL 546 HG22 VAL 546 6.684 -5.006 0.229 563 HG23 VAL 546 HG23 VAL 546 7.325 -5.879 -1.163 564 H CYS 547 HN CYS 547 11.673 -5.818 1.103 565 HA CYS 547 HA CYS 547 12.568 -8.342 2.209 566 HB2 CYS 547 HB2 CYS 547 14.188 -6.620 1.452 567 HB3 CYS 547 HB1 CYS 547 13.569 -5.519 2.678 568 HG CYS 547 HG CYS 547 15.423 -8.345 3.130 569 H GLU 548 HN GLU 548 12.446 -8.927 4.345 570 HA GLU 548 HA GLU 548 10.085 -8.195 5.671 571 HB2 GLU 548 HB2 GLU 548 11.050 -10.407 5.875 572 HB3 GLU 548 HB1 GLU 548 12.480 -9.753 6.640 573 HG2 GLU 548 HG2 GLU 548 11.145 -9.063 8.562 574 HG3 GLU 548 HG1 GLU 548 9.698 -9.698 7.782 575 H GLY 549 HN GLY 549 13.286 -6.896 5.863 576 HA2 GLY 549 HA2 GLY 549 12.994 -5.665 8.433 577 HA3 GLY 549 HA1 GLY 549 14.225 -5.295 7.237 578 H ASP 550 HN ASP 550 11.723 -4.930 5.367 579 HA ASP 550 HA ASP 550 11.143 -2.178 6.246 580 HB2 ASP 550 HB2 ASP 550 11.459 -3.292 3.455 581 HB3 ASP 550 HB1 ASP 550 10.775 -1.708 3.792 582 H HIS 551 HN HIS 551 9.814 -4.822 6.685 583 HA HIS 551 HA HIS 551 7.429 -5.041 5.224 584 HB2 HIS 551 HB2 HIS 551 8.122 -6.891 6.545 585 HB3 HIS 551 HB1 HIS 551 8.243 -5.911 7.999 586 HD1 HIS 551 HD1 HIS 551 6.130 -5.562 9.372 587 HD2 HIS 551 HD2 HIS 551 5.494 -7.723 5.882 588 HE1 HIS 551 HE1 HIS 551 3.810 -6.499 9.579 589 HE2 HIS 551 HE2 HIS 551 3.399 -7.714 7.410 590 H LYS 552 HN LYS 552 8.178 -3.285 8.214 591 HA LYS 552 HA LYS 552 5.556 -2.445 8.803 592 HB2 LYS 552 HB2 LYS 552 7.325 -2.354 10.464 593 HB3 LYS 552 HB1 LYS 552 8.213 -1.186 9.497 594 HG2 LYS 552 HG2 LYS 552 6.459 0.460 9.828 595 HG3 LYS 552 HG1 LYS 552 5.512 -0.712 10.744 596 HD2 LYS 552 HD2 LYS 552 8.261 0.255 11.520 597 HD3 LYS 552 HD1 LYS 552 6.753 0.898 12.169 598 HE2 LYS 552 HE2 LYS 552 7.670 -1.968 12.389 599 HE3 LYS 552 HE1 LYS 552 7.788 -0.759 13.665 600 HZ1 LYS 552 HZ1 LYS 552 5.380 -0.574 13.664 601 HZ2 LYS 552 HZ2 LYS 552 5.853 -2.168 13.959 602 HZ3 LYS 552 HZ3 LYS 552 5.264 -1.732 12.437 603 H THR 553 HN THR 553 8.131 -0.974 6.903 604 HA THR 553 HA THR 553 6.962 1.507 6.402 605 HB THR 553 HB THR 553 8.722 -0.060 4.507 606 HG1 THR 553 HG1 THR 553 10.447 0.965 5.645 607 HG21 THR 553 HG21 THR 553 7.772 1.953 3.519 608 HG22 THR 553 HG22 THR 553 9.498 2.167 3.808 609 HG23 THR 553 HG23 THR 553 8.324 2.908 4.894 610 H MET 554 HN MET 554 6.734 -1.543 4.616 611 HA MET 554 HA MET 554 5.197 -0.462 2.481 612 HB2 MET 554 HB2 MET 554 5.479 -3.339 3.338 613 HB3 MET 554 HB1 MET 554 4.913 -2.770 1.776 614 HG2 MET 554 HG2 MET 554 7.669 -2.474 2.926 615 HG3 MET 554 HG1 MET 554 7.173 -3.494 1.579 616 HE1 MET 554 HE1 MET 554 9.608 -1.389 1.572 617 HE2 MET 554 HE2 MET 554 9.424 -0.716 -0.047 618 HE3 MET 554 HE3 MET 554 9.218 -2.448 0.216 619 H ALA 555 HN ALA 555 4.400 -2.391 5.343 620 HA ALA 555 HA ALA 555 1.662 -2.720 4.811 621 HB1 ALA 555 HB1 ALA 555 2.919 -3.982 6.534 622 HB2 ALA 555 HB2 ALA 555 1.443 -3.257 7.173 623 HB3 ALA 555 HB3 ALA 555 3.008 -2.516 7.513 624 H LYS 556 HN LYS 556 3.455 -0.128 6.368 625 HA LYS 556 HA LYS 556 1.231 1.361 7.265 626 HB2 LYS 556 HB2 LYS 556 3.388 1.863 8.150 627 HB3 LYS 556 HB1 LYS 556 4.042 2.163 6.545 628 HG2 LYS 556 HG2 LYS 556 3.662 4.245 7.723 629 HG3 LYS 556 HG1 LYS 556 2.606 4.110 6.319 630 HD2 LYS 556 HD2 LYS 556 0.765 3.409 7.773 631 HD3 LYS 556 HD1 LYS 556 1.820 3.586 9.179 632 HE2 LYS 556 HE2 LYS 556 2.086 5.959 8.701 633 HE3 LYS 556 HE1 LYS 556 1.079 5.795 7.264 634 HZ1 LYS 556 HZ1 LYS 556 0.162 5.256 10.034 635 HZ2 LYS 556 HZ2 LYS 556 -0.791 5.245 8.638 636 HZ3 LYS 556 HZ3 LYS 556 -0.122 6.701 9.193 637 H ALA 557 HN ALA 557 3.105 1.425 4.267 638 HA ALA 557 HA ALA 557 1.736 3.501 2.990 639 HB1 ALA 557 HB1 ALA 557 2.607 2.600 0.928 640 HB2 ALA 557 HB2 ALA 557 2.885 1.031 1.684 641 HB3 ALA 557 HB3 ALA 557 3.843 2.429 2.176 642 H ILE 558 HN ILE 558 1.139 0.025 3.051 643 HA ILE 558 HA ILE 558 -1.110 -0.029 1.373 644 HB ILE 558 HB ILE 558 -0.506 -1.862 3.700 645 HG12 ILE 558 HG12 ILE 558 0.333 -2.104 0.814 646 HG13 ILE 558 HG11 ILE 558 1.385 -1.646 2.132 647 HG21 ILE 558 HG21 ILE 558 -1.756 -3.521 2.352 648 HG22 ILE 558 HG22 ILE 558 -2.192 -2.228 1.236 649 HG23 ILE 558 HG23 ILE 558 -2.748 -2.173 2.908 650 HD11 ILE 558 HD11 ILE 558 -0.001 -4.285 1.801 651 HD12 ILE 558 HD12 ILE 558 1.024 -3.827 3.162 652 HD13 ILE 558 HD13 ILE 558 1.713 -3.954 1.544 653 H LYS 559 HN LYS 559 -0.851 0.118 4.914 654 HA LYS 559 HA LYS 559 -3.621 0.130 5.417 655 HB2 LYS 559 HB2 LYS 559 -1.806 -0.383 7.087 656 HB3 LYS 559 HB1 LYS 559 -1.469 1.339 7.160 657 HG2 LYS 559 HG2 LYS 559 -3.764 1.746 7.932 658 HG3 LYS 559 HG1 LYS 559 -4.067 0.009 7.903 659 HD2 LYS 559 HD2 LYS 559 -1.945 1.366 9.565 660 HD3 LYS 559 HD1 LYS 559 -3.530 0.876 10.164 661 HE2 LYS 559 HE2 LYS 559 -1.487 -0.995 8.970 662 HE3 LYS 559 HE1 LYS 559 -1.718 -0.735 10.696 663 HZ1 LYS 559 HZ1 LYS 559 -3.874 -1.658 10.591 664 HZ2 LYS 559 HZ2 LYS 559 -2.866 -2.726 9.739 665 HZ3 LYS 559 HZ3 LYS 559 -3.884 -1.666 8.901 666 H ASP 560 HN ASP 560 -1.300 2.709 4.811 667 HA ASP 560 HA ASP 560 -2.921 4.823 5.729 668 HB2 ASP 560 HB2 ASP 560 -0.456 4.964 5.335 669 HB3 ASP 560 HB1 ASP 560 -0.798 5.006 3.608 670 H ARG 561 HN ARG 561 -2.510 3.378 2.520 671 HA ARG 561 HA ARG 561 -4.254 5.223 1.240 672 HB2 ARG 561 HB2 ARG 561 -2.637 3.928 -0.057 673 HB3 ARG 561 HB1 ARG 561 -3.446 2.433 0.394 674 HG2 ARG 561 HG2 ARG 561 -4.018 3.184 -1.883 675 HG3 ARG 561 HG1 ARG 561 -5.423 3.081 -0.817 676 HD2 ARG 561 HD2 ARG 561 -5.234 5.508 -0.407 677 HD3 ARG 561 HD1 ARG 561 -3.917 5.577 -1.566 678 HE ARG 561 HE ARG 561 -6.689 4.851 -2.262 679 HH11 ARG 561 HH11 ARG 561 -3.604 6.295 -3.049 680 HH12 ARG 561 HH12 ARG 561 -4.162 7.012 -4.528 681 HH21 ARG 561 HH21 ARG 561 -7.449 5.830 -4.201 682 HH22 ARG 561 HH22 ARG 561 -6.344 6.738 -5.188 683 H VAL 562 HN VAL 562 -4.666 1.981 2.597 684 HA VAL 562 HA VAL 562 -7.353 1.630 1.906 685 HB VAL 562 HB VAL 562 -5.789 0.532 4.248 686 HG11 VAL 562 HG11 VAL 562 -7.552 -1.205 4.326 687 HG12 VAL 562 HG12 VAL 562 -8.485 -0.255 3.169 688 HG13 VAL 562 HG13 VAL 562 -8.130 0.401 4.766 689 HG21 VAL 562 HG21 VAL 562 -5.546 -1.452 2.899 690 HG22 VAL 562 HG22 VAL 562 -4.959 -0.057 1.988 691 HG23 VAL 562 HG23 VAL 562 -6.542 -0.750 1.620 692 H SER 563 HN SER 563 -5.825 3.230 4.649 693 HA SER 563 HA SER 563 -8.090 3.733 6.199 694 HB2 SER 563 HB2 SER 563 -5.734 4.151 6.911 695 HB3 SER 563 HB1 SER 563 -5.687 5.544 5.837 696 HG SER 563 HG SER 563 -6.194 6.257 7.884 697 H LEU 564 HN LEU 564 -6.646 5.657 3.572 698 HA LEU 564 HA LEU 564 -8.561 7.734 3.597 699 HB2 LEU 564 HB2 LEU 564 -6.906 6.699 1.292 700 HB3 LEU 564 HB1 LEU 564 -7.764 8.227 1.315 701 HG LEU 564 HG LEU 564 -5.478 7.499 3.148 702 HD11 LEU 564 HD11 LEU 564 -5.553 9.293 0.725 703 HD12 LEU 564 HD12 LEU 564 -4.730 7.737 0.847 704 HD13 LEU 564 HD13 LEU 564 -4.187 9.101 1.822 705 HD21 LEU 564 HD21 LEU 564 -7.002 9.075 4.180 706 HD22 LEU 564 HD22 LEU 564 -6.970 10.087 2.737 707 HD23 LEU 564 HD23 LEU 564 -5.513 9.895 3.710 708 H ILE 565 HN ILE 565 -8.322 4.741 1.769 709 HA ILE 565 HA ILE 565 -10.535 5.020 0.103 710 HB ILE 565 HB ILE 565 -9.143 2.614 1.227 711 HG12 ILE 565 HG12 ILE 565 -9.172 3.782 -1.552 712 HG13 ILE 565 HG11 ILE 565 -7.978 4.192 -0.331 713 HG21 ILE 565 HG21 ILE 565 -10.293 1.256 -0.452 714 HG22 ILE 565 HG22 ILE 565 -11.288 2.645 -0.890 715 HG23 ILE 565 HG23 ILE 565 -11.420 1.936 0.721 716 HD11 ILE 565 HD11 ILE 565 -7.097 2.566 -1.852 717 HD12 ILE 565 HD12 ILE 565 -8.452 1.486 -1.519 718 HD13 ILE 565 HD13 ILE 565 -7.285 1.855 -0.250 719 H LYS 566 HN LYS 566 -10.274 3.453 3.269 720 HA LYS 566 HA LYS 566 -13.042 2.761 3.390 721 HB2 LYS 566 HB2 LYS 566 -10.880 2.831 5.486 722 HB3 LYS 566 HB1 LYS 566 -12.526 2.316 5.825 723 HG2 LYS 566 HG2 LYS 566 -12.289 0.544 4.124 724 HG3 LYS 566 HG1 LYS 566 -10.614 1.038 3.887 725 HD2 LYS 566 HD2 LYS 566 -10.080 0.497 6.175 726 HD3 LYS 566 HD1 LYS 566 -11.775 0.152 6.527 727 HE2 LYS 566 HE2 LYS 566 -11.719 -1.704 4.933 728 HE3 LYS 566 HE1 LYS 566 -10.024 -1.360 4.594 729 HZ1 LYS 566 HZ1 LYS 566 -9.508 -1.841 6.909 730 HZ2 LYS 566 HZ2 LYS 566 -10.248 -3.168 6.165 731 HZ3 LYS 566 HZ3 LYS 566 -11.134 -2.185 7.220 732 H ARG 567 HN ARG 567 -11.138 5.489 4.524 733 HA ARG 567 HA ARG 567 -12.861 6.625 6.361 734 HB2 ARG 567 HB2 ARG 567 -10.522 7.353 5.741 735 HB3 ARG 567 HB1 ARG 567 -11.217 8.155 4.341 736 HG2 ARG 567 HG2 ARG 567 -10.883 9.778 6.031 737 HG3 ARG 567 HG1 ARG 567 -12.618 9.493 5.893 738 HD2 ARG 567 HD2 ARG 567 -12.588 8.085 7.848 739 HD3 ARG 567 HD1 ARG 567 -10.833 8.199 7.946 740 HE ARG 567 HE ARG 567 -12.270 10.711 8.099 741 HH11 ARG 567 HH11 ARG 567 -10.792 8.067 9.848 742 HH12 ARG 567 HH12 ARG 567 -10.578 8.980 11.306 743 HH21 ARG 567 HH21 ARG 567 -12.001 11.919 10.025 744 HH22 ARG 567 HH22 ARG 567 -11.260 11.173 11.406 745 H LYS 568 HN LYS 568 -12.907 6.776 2.855 746 HA LYS 568 HA LYS 568 -14.990 8.725 2.667 747 HB2 LYS 568 HB2 LYS 568 -14.115 6.732 0.572 748 HB3 LYS 568 HB1 LYS 568 -14.959 8.249 0.303 749 HG2 LYS 568 HG2 LYS 568 -13.017 9.501 0.994 750 HG3 LYS 568 HG1 LYS 568 -12.172 8.008 1.413 751 HD2 LYS 568 HD2 LYS 568 -12.496 7.318 -1.009 752 HD3 LYS 568 HD1 LYS 568 -12.985 8.984 -1.314 753 HE2 LYS 568 HE2 LYS 568 -10.349 8.140 -0.122 754 HE3 LYS 568 HE1 LYS 568 -10.603 8.569 -1.810 755 HZ1 LYS 568 HZ1 LYS 568 -10.978 10.366 0.524 756 HZ2 LYS 568 HZ2 LYS 568 -11.286 10.785 -1.086 757 HZ3 LYS 568 HZ3 LYS 568 -9.708 10.429 -0.594 758 H ARG 569 HN ARG 569 -14.874 5.332 3.167 759 HA ARG 569 HA ARG 569 -17.576 4.852 2.189 760 HB2 ARG 569 HB2 ARG 569 -15.498 3.028 3.363 761 HB3 ARG 569 HB1 ARG 569 -17.101 2.500 2.888 762 HG2 ARG 569 HG2 ARG 569 -16.509 3.470 0.583 763 HG3 ARG 569 HG1 ARG 569 -14.842 3.431 1.170 764 HD2 ARG 569 HD2 ARG 569 -15.200 1.032 1.754 765 HD3 ARG 569 HD1 ARG 569 -16.758 1.129 0.942 766 HE ARG 569 HE ARG 569 -14.650 1.988 -0.762 767 HH11 ARG 569 HH11 ARG 569 -16.232 -0.862 0.529 768 HH12 ARG 569 HH12 ARG 569 -15.670 -1.898 -0.741 769 HH21 ARG 569 HH21 ARG 569 -13.909 0.620 -2.438 770 HH22 ARG 569 HH22 ARG 569 -14.352 -1.065 -2.415 771 H GLU 570 HN GLU 570 -15.929 5.422 5.177 772 HA GLU 570 HA GLU 570 -17.786 3.968 6.799 773 HB2 GLU 570 HB2 GLU 570 -15.577 5.884 7.515 774 HB3 GLU 570 HB1 GLU 570 -16.533 4.998 8.697 775 HG2 GLU 570 HG2 GLU 570 -14.853 3.742 6.543 776 HG3 GLU 570 HG1 GLU 570 -14.359 3.944 8.223 777 H GLN 571 HN GLN 571 -16.932 7.422 7.196 778 HA GLN 571 HA GLN 571 -19.785 7.858 7.793 779 HB2 GLN 571 HB2 GLN 571 -17.420 9.177 9.131 780 HB3 GLN 571 HB1 GLN 571 -19.111 9.504 9.481 781 HG2 GLN 571 HG2 GLN 571 -19.358 7.124 10.166 782 HG3 GLN 571 HG1 GLN 571 -17.616 6.941 9.968 783 HE21 GLN 571 HE21 GLN 571 -17.255 6.487 12.117 784 HE22 GLN 571 HE22 GLN 571 -17.405 7.675 13.365 785 H ARG 572 HN ARG 572 -19.288 8.279 5.269 786 HA ARG 572 HA ARG 572 -19.504 11.178 5.087 787 HB2 ARG 572 HB2 ARG 572 -17.610 9.529 3.414 788 HB3 ARG 572 HB1 ARG 572 -18.162 11.125 2.933 789 HG2 ARG 572 HG2 ARG 572 -17.229 11.986 5.103 790 HG3 ARG 572 HG1 ARG 572 -16.491 10.399 5.322 791 HD2 ARG 572 HD2 ARG 572 -14.924 12.004 4.332 792 HD3 ARG 572 HD1 ARG 572 -15.263 10.662 3.239 793 HE ARG 572 HE ARG 572 -17.049 12.502 2.441 794 HH11 ARG 572 HH11 ARG 572 -13.604 12.713 3.043 795 HH12 ARG 572 HH12 ARG 572 -13.349 13.957 1.863 796 HH21 ARG 572 HH21 ARG 572 -16.719 14.133 0.891 797 HH22 ARG 572 HH22 ARG 572 -15.125 14.776 0.645 Start of MODEL 4 1 H1 GLY 475 HT1 GLY 475 13.150 16.559 0.118 2 H2 GLY 475 HT2 GLY 475 13.248 15.565 -1.243 3 H3 GLY 475 HT3 GLY 475 11.892 15.479 -0.228 4 HA2 GLY 475 HA1 GLY 475 12.677 17.832 -1.860 5 HA3 GLY 475 HA2 GLY 475 11.406 16.692 -2.275 6 H ALA 476 HN ALA 476 10.087 16.279 -0.004 7 HA ALA 476 HA ALA 476 8.433 17.070 1.302 8 HB1 ALA 476 HB1 ALA 476 8.901 18.914 2.765 9 HB2 ALA 476 HB2 ALA 476 10.202 19.470 1.715 10 HB3 ALA 476 HB3 ALA 476 10.360 17.942 2.580 11 H MET 477 HN MET 477 7.634 17.316 -1.134 12 HA MET 477 HA MET 477 6.789 20.001 -1.754 13 HB2 MET 477 HB2 MET 477 5.460 19.008 -3.515 14 HB3 MET 477 HB1 MET 477 7.048 18.260 -3.516 15 HG2 MET 477 HG2 MET 477 6.159 16.307 -2.396 16 HG3 MET 477 HG1 MET 477 4.570 17.065 -2.299 17 HE1 MET 477 HE1 MET 477 3.068 17.613 -4.371 18 HE2 MET 477 HE2 MET 477 3.478 17.215 -6.039 19 HE3 MET 477 HE3 MET 477 4.363 18.485 -5.193 20 H ASP 478 HN ASP 478 5.742 17.392 0.173 21 HA ASP 478 HA ASP 478 3.389 18.940 1.028 22 HB2 ASP 478 HB2 ASP 478 2.153 16.914 1.405 23 HB3 ASP 478 HB1 ASP 478 2.760 16.858 -0.244 24 HA PRO 479 HA PRO 479 5.005 19.213 5.074 25 HB2 PRO 479 HB2 PRO 479 2.345 18.112 5.864 26 HB3 PRO 479 HB1 PRO 479 3.203 19.528 6.487 27 HG2 PRO 479 HG2 PRO 479 1.205 19.832 4.789 28 HG3 PRO 479 HG1 PRO 479 2.673 20.814 4.619 29 HD2 PRO 479 HD2 PRO 479 1.768 18.471 3.013 30 HD3 PRO 479 HD1 PRO 479 2.646 19.921 2.503 31 H GLN 480 HN GLN 480 4.113 16.144 3.855 32 HA GLN 480 HA GLN 480 5.159 14.876 6.297 33 HB2 GLN 480 HB2 GLN 480 2.730 14.437 5.743 34 HB3 GLN 480 HB1 GLN 480 3.294 13.576 4.319 35 HG2 GLN 480 HG2 GLN 480 4.443 11.968 5.678 36 HG3 GLN 480 HG1 GLN 480 4.068 12.880 7.140 37 HE21 GLN 480 HE21 GLN 480 2.982 11.208 8.103 38 HE22 GLN 480 HE22 GLN 480 1.438 10.651 7.561 39 H GLU 481 HN GLU 481 7.185 15.521 4.985 40 HA GLU 481 HA GLU 481 7.897 13.726 2.852 41 HB2 GLU 481 HB2 GLU 481 8.854 15.959 2.884 42 HB3 GLU 481 HB1 GLU 481 9.558 15.669 4.466 43 HG2 GLU 481 HG2 GLU 481 11.248 15.516 2.752 44 HG3 GLU 481 HG1 GLU 481 11.002 13.946 3.511 45 H GLU 482 HN GLU 482 7.415 11.773 3.950 46 HA GLU 482 HA GLU 482 9.741 10.488 4.906 47 HB2 GLU 482 HB2 GLU 482 8.936 9.801 7.119 48 HB3 GLU 482 HB1 GLU 482 9.143 11.544 7.033 49 HG2 GLU 482 HG2 GLU 482 6.762 11.852 6.787 50 HG3 GLU 482 HG1 GLU 482 6.516 10.105 6.747 51 H THR 483 HN THR 483 9.099 8.162 5.627 52 HA THR 483 HA THR 483 8.177 6.165 5.048 53 HB THR 483 HB THR 483 5.647 7.522 4.156 54 HG1 THR 483 HG1 THR 483 5.512 8.437 6.056 55 HG21 THR 483 HG21 THR 483 6.188 5.004 5.735 56 HG22 THR 483 HG22 THR 483 5.835 5.076 4.011 57 HG23 THR 483 HG23 THR 483 4.609 5.563 5.180 58 H GLY 484 HN GLY 484 9.584 5.856 3.300 59 HA2 GLY 484 HA2 GLY 484 9.200 7.163 0.775 60 HA3 GLY 484 HA1 GLY 484 10.375 5.909 1.134 61 H VAL 485 HN VAL 485 6.834 5.884 1.271 62 HA VAL 485 HA VAL 485 6.647 4.096 -1.006 63 HB VAL 485 HB VAL 485 5.080 2.639 0.490 64 HG11 VAL 485 HG11 VAL 485 6.853 1.073 0.914 65 HG12 VAL 485 HG12 VAL 485 8.062 2.343 0.703 66 HG13 VAL 485 HG13 VAL 485 7.078 1.823 -0.667 67 HG21 VAL 485 HG21 VAL 485 6.999 3.757 2.508 68 HG22 VAL 485 HG22 VAL 485 5.913 2.390 2.778 69 HG23 VAL 485 HG23 VAL 485 5.253 3.997 2.463 70 H ARG 486 HN ARG 486 4.515 3.889 -1.763 71 HA ARG 486 HA ARG 486 2.357 5.202 -0.381 72 HB2 ARG 486 HB2 ARG 486 3.565 7.026 -1.660 73 HB3 ARG 486 HB1 ARG 486 3.094 6.198 -3.137 74 HG2 ARG 486 HG2 ARG 486 1.612 8.085 -2.545 75 HG3 ARG 486 HG1 ARG 486 0.763 6.538 -2.647 76 HD2 ARG 486 HD2 ARG 486 0.836 6.310 -0.235 77 HD3 ARG 486 HD1 ARG 486 1.760 7.806 -0.099 78 HE ARG 486 HE ARG 486 -0.600 8.436 -1.409 79 HH11 ARG 486 HH11 ARG 486 0.421 7.186 1.689 80 HH12 ARG 486 HH12 ARG 486 -0.954 7.810 2.560 81 HH21 ARG 486 HH21 ARG 486 -2.394 9.319 -0.270 82 HH22 ARG 486 HH22 ARG 486 -2.539 9.048 1.437 83 H VAL 487 HN VAL 487 0.291 4.724 -1.391 84 HA VAL 487 HA VAL 487 0.469 2.498 -3.301 85 HB VAL 487 HB VAL 487 -1.393 2.629 -0.924 86 HG11 VAL 487 HG11 VAL 487 -2.382 1.528 -2.882 87 HG12 VAL 487 HG12 VAL 487 -2.073 0.389 -1.571 88 HG13 VAL 487 HG13 VAL 487 -0.991 0.446 -2.963 89 HG21 VAL 487 HG21 VAL 487 0.996 0.887 -1.477 90 HG22 VAL 487 HG22 VAL 487 -0.103 0.708 -0.109 91 HG23 VAL 487 HG23 VAL 487 0.887 2.163 -0.262 92 H GLU 488 HN GLU 488 -0.944 2.507 -4.922 93 HA GLU 488 HA GLU 488 -2.999 4.620 -4.958 94 HB2 GLU 488 HB2 GLU 488 -1.116 3.945 -7.229 95 HB3 GLU 488 HB1 GLU 488 -2.385 5.159 -7.266 96 HG2 GLU 488 HG2 GLU 488 -1.187 6.308 -5.375 97 HG3 GLU 488 HG1 GLU 488 0.145 5.188 -5.649 98 H LEU 489 HN LEU 489 -4.663 4.290 -6.589 99 HA LEU 489 HA LEU 489 -5.522 1.538 -6.584 100 HB2 LEU 489 HB2 LEU 489 -6.825 3.967 -7.796 101 HB3 LEU 489 HB1 LEU 489 -7.573 2.399 -7.594 102 HG LEU 489 HG LEU 489 -6.652 4.140 -5.309 103 HD11 LEU 489 HD11 LEU 489 -9.061 4.581 -5.001 104 HD12 LEU 489 HD12 LEU 489 -9.391 3.726 -6.509 105 HD13 LEU 489 HD13 LEU 489 -8.449 5.218 -6.526 106 HD21 LEU 489 HD21 LEU 489 -6.780 1.683 -4.884 107 HD22 LEU 489 HD22 LEU 489 -8.489 1.747 -5.308 108 HD23 LEU 489 HD23 LEU 489 -7.892 2.644 -3.906 109 H ALA 490 HN ALA 490 -5.472 0.150 -8.229 110 HA ALA 490 HA ALA 490 -4.252 0.913 -10.747 111 HB1 ALA 490 HB1 ALA 490 -3.720 -1.248 -9.757 112 HB2 ALA 490 HB2 ALA 490 -4.509 -1.459 -11.318 113 HB3 ALA 490 HB3 ALA 490 -5.417 -1.713 -9.830 114 H GLU 491 HN GLU 491 -7.346 0.706 -9.410 115 HA GLU 491 HA GLU 491 -8.595 0.962 -12.048 116 HB2 GLU 491 HB2 GLU 491 -10.522 -0.369 -11.184 117 HB3 GLU 491 HB1 GLU 491 -9.040 -1.305 -11.333 118 HG2 GLU 491 HG2 GLU 491 -8.652 -0.945 -8.907 119 HG3 GLU 491 HG1 GLU 491 -10.239 -0.191 -8.813 120 H GLU 492 HN GLU 492 -10.857 1.859 -11.802 121 HA GLU 492 HA GLU 492 -10.686 4.215 -10.149 122 HB2 GLU 492 HB2 GLU 492 -12.846 3.282 -12.047 123 HB3 GLU 492 HB1 GLU 492 -12.799 4.855 -11.262 124 HG2 GLU 492 HG2 GLU 492 -10.675 5.337 -12.406 125 HG3 GLU 492 HG1 GLU 492 -10.795 3.785 -13.236 126 H ASP 493 HN ASP 493 -10.954 3.697 -8.039 127 HA ASP 493 HA ASP 493 -12.965 1.847 -7.183 128 HB2 ASP 493 HB2 ASP 493 -10.926 1.960 -5.900 129 HB3 ASP 493 HB1 ASP 493 -11.171 3.679 -5.598 130 H ASP 494 HN ASP 494 -14.790 2.904 -8.147 131 HA ASP 494 HA ASP 494 -15.967 4.751 -6.209 132 HB2 ASP 494 HB2 ASP 494 -15.119 6.023 -8.237 133 HB3 ASP 494 HB1 ASP 494 -16.327 5.154 -9.180 134 H GLY 495 HN GLY 495 -16.347 2.093 -6.207 135 HA2 GLY 495 HA2 GLY 495 -19.150 1.910 -7.063 136 HA3 GLY 495 HA1 GLY 495 -18.046 0.596 -7.423 137 H GLU 496 HN GLU 496 -17.538 2.274 -4.495 138 HA GLU 496 HA GLU 496 -17.536 1.581 -2.332 139 HB2 GLU 496 HB2 GLU 496 -20.193 0.390 -3.159 140 HB3 GLU 496 HB1 GLU 496 -19.643 0.560 -1.495 141 HG2 GLU 496 HG2 GLU 496 -19.532 3.007 -1.827 142 HG3 GLU 496 HG1 GLU 496 -20.198 2.786 -3.444 143 H LYS 497 HN LYS 497 -16.027 0.125 -3.986 144 HA LYS 497 HA LYS 497 -16.563 -2.629 -4.146 145 HB2 LYS 497 HB2 LYS 497 -13.910 -1.198 -4.298 146 HB3 LYS 497 HB1 LYS 497 -14.306 -2.762 -4.979 147 HG2 LYS 497 HG2 LYS 497 -15.871 -1.705 -6.524 148 HG3 LYS 497 HG1 LYS 497 -15.484 -0.128 -5.843 149 HD2 LYS 497 HD2 LYS 497 -13.202 -0.308 -6.575 150 HD3 LYS 497 HD1 LYS 497 -13.454 -1.970 -7.106 151 HE2 LYS 497 HE2 LYS 497 -14.918 0.396 -8.254 152 HE3 LYS 497 HE1 LYS 497 -13.428 -0.254 -8.933 153 HZ1 LYS 497 HZ1 LYS 497 -14.538 -2.356 -9.297 154 HZ2 LYS 497 HZ2 LYS 497 -15.396 -1.113 -10.056 155 HZ3 LYS 497 HZ3 LYS 497 -15.965 -1.765 -8.605 156 H ILE 498 HN ILE 498 -15.947 -4.303 -2.884 157 HA ILE 498 HA ILE 498 -14.899 -3.719 -0.244 158 HB ILE 498 HB ILE 498 -15.966 -6.232 -1.499 159 HG12 ILE 498 HG12 ILE 498 -17.552 -4.432 -0.812 160 HG13 ILE 498 HG11 ILE 498 -17.775 -5.948 0.039 161 HG21 ILE 498 HG21 ILE 498 -15.694 -7.336 0.643 162 HG22 ILE 498 HG22 ILE 498 -14.940 -5.893 1.319 163 HG23 ILE 498 HG23 ILE 498 -14.127 -6.797 0.040 164 HD11 ILE 498 HD11 ILE 498 -17.983 -4.129 1.584 165 HD12 ILE 498 HD12 ILE 498 -16.413 -3.495 1.095 166 HD13 ILE 498 HD13 ILE 498 -16.512 -5.040 1.947 167 H ALA 499 HN ALA 499 -13.985 -5.175 -3.251 168 HA ALA 499 HA ALA 499 -11.284 -5.577 -2.172 169 HB1 ALA 499 HB1 ALA 499 -11.060 -7.533 -3.622 170 HB2 ALA 499 HB2 ALA 499 -12.748 -7.342 -4.114 171 HB3 ALA 499 HB3 ALA 499 -12.354 -7.719 -2.435 172 H ILE 500 HN ILE 500 -9.779 -4.497 -3.195 173 HA ILE 500 HA ILE 500 -10.403 -3.374 -5.846 174 HB ILE 500 HB ILE 500 -9.298 -1.344 -5.209 175 HG12 ILE 500 HG12 ILE 500 -8.683 -2.774 -2.617 176 HG13 ILE 500 HG11 ILE 500 -7.528 -2.175 -3.800 177 HG21 ILE 500 HG21 ILE 500 -10.777 -0.574 -3.414 178 HG22 ILE 500 HG22 ILE 500 -11.188 -2.254 -3.063 179 HG23 ILE 500 HG23 ILE 500 -11.637 -1.541 -4.615 180 HD11 ILE 500 HD11 ILE 500 -9.346 -0.484 -2.108 181 HD12 ILE 500 HD12 ILE 500 -8.174 0.110 -3.284 182 HD13 ILE 500 HD13 ILE 500 -7.622 -0.745 -1.844 183 H LYS 501 HN LYS 501 -8.245 -2.382 -6.740 184 HA LYS 501 HA LYS 501 -6.045 -4.269 -6.253 185 HB2 LYS 501 HB2 LYS 501 -7.180 -4.681 -8.442 186 HB3 LYS 501 HB1 LYS 501 -6.753 -3.045 -8.927 187 HG2 LYS 501 HG2 LYS 501 -4.384 -3.599 -8.736 188 HG3 LYS 501 HG1 LYS 501 -4.802 -5.233 -8.221 189 HD2 LYS 501 HD2 LYS 501 -5.542 -4.011 -10.879 190 HD3 LYS 501 HD1 LYS 501 -4.183 -5.102 -10.611 191 HE2 LYS 501 HE2 LYS 501 -5.778 -6.825 -9.825 192 HE3 LYS 501 HE1 LYS 501 -7.106 -5.735 -10.218 193 HZ1 LYS 501 HZ1 LYS 501 -5.124 -6.810 -12.148 194 HZ2 LYS 501 HZ2 LYS 501 -6.396 -5.761 -12.528 195 HZ3 LYS 501 HZ3 LYS 501 -6.726 -7.327 -11.985 196 H LEU 502 HN LEU 502 -4.289 -3.312 -5.543 197 HA LEU 502 HA LEU 502 -3.959 -0.410 -5.975 198 HB2 LEU 502 HB2 LEU 502 -3.143 -2.138 -3.637 199 HB3 LEU 502 HB1 LEU 502 -2.757 -0.439 -3.805 200 HG LEU 502 HG LEU 502 -5.607 -1.386 -3.766 201 HD11 LEU 502 HD11 LEU 502 -5.627 -0.910 -1.364 202 HD12 LEU 502 HD12 LEU 502 -3.884 -0.654 -1.403 203 HD13 LEU 502 HD13 LEU 502 -4.548 -2.249 -1.754 204 HD21 LEU 502 HD21 LEU 502 -4.373 1.226 -2.917 205 HD22 LEU 502 HD22 LEU 502 -6.084 0.859 -3.134 206 HD23 LEU 502 HD23 LEU 502 -5.010 0.921 -4.533 207 H TRP 503 HN TRP 503 -1.725 0.339 -6.075 208 HA TRP 503 HA TRP 503 0.258 -1.795 -6.495 209 HB2 TRP 503 HB2 TRP 503 0.096 0.903 -7.842 210 HB3 TRP 503 HB1 TRP 503 1.531 -0.104 -7.869 211 HD1 TRP 503 HD1 TRP 503 -2.190 -0.578 -8.815 212 HE1 TRP 503 HE1 TRP 503 -2.294 -1.824 -11.062 213 HE3 TRP 503 HE3 TRP 503 2.784 -1.397 -9.506 214 HZ2 TRP 503 HZ2 TRP 503 -0.499 -3.010 -12.875 215 HZ3 TRP 503 HZ3 TRP 503 3.510 -2.615 -11.508 216 HH2 TRP 503 HH2 TRP 503 1.906 -3.407 -13.158 217 H LEU 504 HN LEU 504 1.763 -1.839 -4.977 218 HA LEU 504 HA LEU 504 2.147 0.364 -3.166 219 HB2 LEU 504 HB2 LEU 504 2.382 -1.909 -2.363 220 HB3 LEU 504 HB1 LEU 504 3.643 -2.226 -3.526 221 HG LEU 504 HG LEU 504 5.051 -0.508 -2.373 222 HD11 LEU 504 HD11 LEU 504 2.843 -0.639 -0.326 223 HD12 LEU 504 HD12 LEU 504 3.303 0.765 -1.289 224 HD13 LEU 504 HD13 LEU 504 4.417 0.118 -0.086 225 HD21 LEU 504 HD21 LEU 504 5.364 -2.883 -1.976 226 HD22 LEU 504 HD22 LEU 504 4.116 -2.855 -0.729 227 HD23 LEU 504 HD23 LEU 504 5.623 -1.967 -0.490 228 H ARG 505 HN ARG 505 2.929 2.087 -4.170 229 HA ARG 505 HA ARG 505 5.109 1.831 -6.085 230 HB2 ARG 505 HB2 ARG 505 2.909 3.452 -5.985 231 HB3 ARG 505 HB1 ARG 505 4.185 4.517 -5.410 232 HG2 ARG 505 HG2 ARG 505 5.496 4.000 -7.412 233 HG3 ARG 505 HG1 ARG 505 4.181 2.977 -7.988 234 HD2 ARG 505 HD2 ARG 505 2.684 4.904 -7.974 235 HD3 ARG 505 HD1 ARG 505 4.018 5.926 -7.441 236 HE ARG 505 HE ARG 505 5.096 5.064 -9.629 237 HH11 ARG 505 HH11 ARG 505 1.715 5.867 -9.155 238 HH12 ARG 505 HH12 ARG 505 1.453 6.242 -10.835 239 HH21 ARG 505 HH21 ARG 505 4.745 5.562 -11.825 240 HH22 ARG 505 HH22 ARG 505 3.172 6.077 -12.349 241 H ILE 506 HN ILE 506 7.132 1.986 -5.419 242 HA ILE 506 HA ILE 506 7.745 2.812 -2.742 243 HB ILE 506 HB ILE 506 9.744 2.313 -4.948 244 HG12 ILE 506 HG12 ILE 506 8.252 0.376 -4.815 245 HG13 ILE 506 HG11 ILE 506 9.836 -0.023 -4.162 246 HG21 ILE 506 HG21 ILE 506 11.133 1.588 -2.977 247 HG22 ILE 506 HG22 ILE 506 9.884 2.302 -1.954 248 HG23 ILE 506 HG23 ILE 506 10.779 3.314 -3.090 249 HD11 ILE 506 HD11 ILE 506 8.952 0.260 -1.894 250 HD12 ILE 506 HD12 ILE 506 8.087 -0.980 -2.803 251 HD13 ILE 506 HD13 ILE 506 7.363 0.611 -2.572 252 H GLU 507 HN GLU 507 7.924 4.864 -2.132 253 HA GLU 507 HA GLU 507 8.105 6.964 -4.051 254 HB2 GLU 507 HB2 GLU 507 8.086 6.962 -1.037 255 HB3 GLU 507 HB1 GLU 507 8.150 8.425 -2.004 256 HG2 GLU 507 HG2 GLU 507 6.009 7.167 -3.092 257 HG3 GLU 507 HG1 GLU 507 5.913 6.648 -1.407 258 H ASP 508 HN ASP 508 10.262 5.525 -1.670 259 HA ASP 508 HA ASP 508 12.515 6.632 -3.110 260 HB2 ASP 508 HB2 ASP 508 11.873 8.340 -1.348 261 HB3 ASP 508 HB1 ASP 508 12.324 7.135 -0.144 262 H ILE 509 HN ILE 509 13.736 4.926 -3.451 263 HA ILE 509 HA ILE 509 13.481 2.581 -1.849 264 HB ILE 509 HB ILE 509 15.067 1.569 -3.414 265 HG12 ILE 509 HG12 ILE 509 15.386 3.279 -5.500 266 HG13 ILE 509 HG11 ILE 509 15.531 4.383 -4.136 267 HG21 ILE 509 HG21 ILE 509 12.761 1.516 -4.001 268 HG22 ILE 509 HG22 ILE 509 13.691 1.845 -5.463 269 HG23 ILE 509 HG23 ILE 509 12.835 3.155 -4.648 270 HD11 ILE 509 HD11 ILE 509 17.283 2.937 -3.194 271 HD12 ILE 509 HD12 ILE 509 17.706 3.597 -4.775 272 HD13 ILE 509 HD13 ILE 509 17.178 1.919 -4.633 273 H LYS 510 HN LYS 510 15.469 5.319 -1.620 274 HA LYS 510 HA LYS 510 17.822 4.019 -0.623 275 HB2 LYS 510 HB2 LYS 510 16.905 6.888 -0.451 276 HB3 LYS 510 HB1 LYS 510 18.492 6.317 0.026 277 HG2 LYS 510 HG2 LYS 510 17.376 6.100 -2.757 278 HG3 LYS 510 HG1 LYS 510 18.435 7.395 -2.196 279 HD2 LYS 510 HD2 LYS 510 20.133 5.672 -1.615 280 HD3 LYS 510 HD1 LYS 510 19.085 4.454 -2.347 281 HE2 LYS 510 HE2 LYS 510 20.820 5.182 -3.903 282 HE3 LYS 510 HE1 LYS 510 19.214 5.612 -4.486 283 HZ1 LYS 510 HZ1 LYS 510 21.096 7.457 -3.114 284 HZ2 LYS 510 HZ2 LYS 510 19.568 7.866 -3.706 285 HZ3 LYS 510 HZ3 LYS 510 20.796 7.418 -4.777 286 H LYS 511 HN LYS 511 14.954 5.509 0.754 287 HA LYS 511 HA LYS 511 15.722 5.453 3.444 288 HB2 LYS 511 HB2 LYS 511 13.195 5.699 1.903 289 HB3 LYS 511 HB1 LYS 511 13.077 5.329 3.611 290 HG2 LYS 511 HG2 LYS 511 12.910 7.700 3.339 291 HG3 LYS 511 HG1 LYS 511 14.454 7.320 4.095 292 HD2 LYS 511 HD2 LYS 511 15.611 7.606 2.006 293 HD3 LYS 511 HD1 LYS 511 14.085 7.854 1.159 294 HE2 LYS 511 HE2 LYS 511 15.165 9.981 1.546 295 HE3 LYS 511 HE1 LYS 511 13.693 9.873 2.504 296 HZ1 LYS 511 HZ1 LYS 511 15.030 9.340 4.441 297 HZ2 LYS 511 HZ2 LYS 511 15.519 10.812 3.772 298 HZ3 LYS 511 HZ3 LYS 511 16.445 9.422 3.520 299 H LEU 512 HN LEU 512 14.718 2.967 1.298 300 HA LEU 512 HA LEU 512 13.868 1.178 3.438 301 HB2 LEU 512 HB2 LEU 512 14.129 0.615 0.486 302 HB3 LEU 512 HB1 LEU 512 13.241 -0.327 1.670 303 HG LEU 512 HG LEU 512 12.536 2.479 0.810 304 HD11 LEU 512 HD11 LEU 512 12.164 0.940 -0.992 305 HD12 LEU 512 HD12 LEU 512 10.612 1.375 -0.274 306 HD13 LEU 512 HD13 LEU 512 11.346 -0.187 0.087 307 HD21 LEU 512 HD21 LEU 512 10.457 2.076 2.036 308 HD22 LEU 512 HD22 LEU 512 11.862 2.007 3.100 309 HD23 LEU 512 HD23 LEU 512 11.077 0.517 2.576 310 H LYS 513 HN LYS 513 14.756 -1.212 3.034 311 HA LYS 513 HA LYS 513 17.629 -1.094 2.421 312 HB2 LYS 513 HB2 LYS 513 17.355 -0.928 4.878 313 HB3 LYS 513 HB1 LYS 513 16.481 -2.453 4.865 314 HG2 LYS 513 HG2 LYS 513 18.822 -2.718 5.549 315 HG3 LYS 513 HG1 LYS 513 18.444 -3.620 4.080 316 HD2 LYS 513 HD2 LYS 513 19.419 -1.813 2.735 317 HD3 LYS 513 HD1 LYS 513 19.820 -0.938 4.213 318 HE2 LYS 513 HE2 LYS 513 21.769 -2.098 3.383 319 HE3 LYS 513 HE1 LYS 513 21.248 -2.819 4.906 320 HZ1 LYS 513 HZ1 LYS 513 20.682 -3.897 2.198 321 HZ2 LYS 513 HZ2 LYS 513 20.181 -4.590 3.654 322 HZ3 LYS 513 HZ3 LYS 513 21.826 -4.507 3.282 323 H GLY 514 HN GLY 514 16.720 -2.011 0.436 324 HA2 GLY 514 HA2 GLY 514 17.062 -4.833 0.387 325 HA3 GLY 514 HA1 GLY 514 15.365 -4.409 0.206 326 H LYS 515 HN LYS 515 15.685 -5.467 -1.923 327 HA LYS 515 HA LYS 515 17.083 -3.771 -3.850 328 HB2 LYS 515 HB2 LYS 515 15.834 -6.501 -4.171 329 HB3 LYS 515 HB1 LYS 515 16.643 -5.619 -5.455 330 HG2 LYS 515 HG2 LYS 515 17.893 -6.642 -2.913 331 HG3 LYS 515 HG1 LYS 515 18.127 -7.281 -4.540 332 HD2 LYS 515 HD2 LYS 515 18.933 -4.533 -3.584 333 HD3 LYS 515 HD1 LYS 515 20.020 -5.894 -3.845 334 HE2 LYS 515 HE2 LYS 515 19.484 -5.897 -6.216 335 HE3 LYS 515 HE1 LYS 515 18.325 -4.592 -5.975 336 HZ1 LYS 515 HZ1 LYS 515 20.488 -3.835 -6.841 337 HZ2 LYS 515 HZ2 LYS 515 21.235 -4.369 -5.421 338 HZ3 LYS 515 HZ3 LYS 515 20.093 -3.122 -5.359 339 H TYR 516 HN TYR 516 15.690 -2.041 -3.910 340 HA TYR 516 HA TYR 516 13.143 -2.544 -5.309 341 HB2 TYR 516 HB2 TYR 516 13.671 -0.173 -3.514 342 HB3 TYR 516 HB1 TYR 516 12.129 -0.694 -4.182 343 HD1 TYR 516 HD1 TYR 516 10.968 -2.600 -3.246 344 HD2 TYR 516 HD2 TYR 516 14.573 -1.174 -1.522 345 HE1 TYR 516 HE1 TYR 516 10.470 -3.859 -1.197 346 HE2 TYR 516 HE2 TYR 516 14.093 -2.430 0.542 347 HH TYR 516 HH TYR 516 11.509 -4.753 0.715 348 H LYS 517 HN LYS 517 12.666 -1.130 -7.018 349 HA LYS 517 HA LYS 517 14.963 0.483 -7.907 350 HB2 LYS 517 HB2 LYS 517 12.715 -0.780 -9.486 351 HB3 LYS 517 HB1 LYS 517 13.912 0.302 -10.182 352 HG2 LYS 517 HG2 LYS 517 15.684 -1.268 -9.609 353 HG3 LYS 517 HG1 LYS 517 14.499 -2.346 -8.869 354 HD2 LYS 517 HD2 LYS 517 14.402 -1.497 -11.759 355 HD3 LYS 517 HD1 LYS 517 15.208 -2.963 -11.203 356 HE2 LYS 517 HE2 LYS 517 12.302 -2.340 -10.706 357 HE3 LYS 517 HE1 LYS 517 12.887 -3.316 -12.051 358 HZ1 LYS 517 HZ1 LYS 517 13.556 -3.985 -9.255 359 HZ2 LYS 517 HZ2 LYS 517 13.613 -4.985 -10.615 360 HZ3 LYS 517 HZ3 LYS 517 12.120 -4.520 -9.963 361 H ASP 518 HN ASP 518 14.639 2.567 -8.719 362 HA ASP 518 HA ASP 518 12.480 4.008 -7.469 363 HB2 ASP 518 HB2 ASP 518 14.817 4.871 -7.539 364 HB3 ASP 518 HB1 ASP 518 14.678 5.032 -9.285 365 H ASN 519 HN ASN 519 11.611 2.208 -9.370 366 HA ASN 519 HA ASN 519 9.907 3.822 -10.962 367 HB2 ASN 519 HB2 ASN 519 10.572 2.955 -13.165 368 HB3 ASN 519 HB1 ASN 519 11.899 3.846 -12.427 369 HD21 ASN 519 HD21 ASN 519 10.753 0.757 -13.480 370 HD22 ASN 519 HD22 ASN 519 12.253 -0.087 -13.306 371 H GLU 520 HN GLU 520 9.872 1.774 -8.896 372 HA GLU 520 HA GLU 520 8.592 -0.445 -10.336 373 HB2 GLU 520 HB2 GLU 520 10.759 -1.162 -9.544 374 HB3 GLU 520 HB1 GLU 520 10.409 -0.564 -7.929 375 HG2 GLU 520 HG2 GLU 520 8.790 -2.266 -7.565 376 HG3 GLU 520 HG1 GLU 520 8.847 -2.761 -9.258 377 H ALA 521 HN ALA 521 6.688 -1.088 -9.648 378 HA ALA 521 HA ALA 521 5.724 -0.280 -6.998 379 HB1 ALA 521 HB1 ALA 521 3.578 0.389 -7.906 380 HB2 ALA 521 HB2 ALA 521 4.122 0.014 -9.541 381 HB3 ALA 521 HB3 ALA 521 4.860 1.344 -8.651 382 H ILE 522 HN ILE 522 4.475 -1.750 -6.027 383 HA ILE 522 HA ILE 522 4.397 -4.364 -7.345 384 HB ILE 522 HB ILE 522 4.330 -3.606 -4.431 385 HG12 ILE 522 HG12 ILE 522 6.433 -5.195 -5.880 386 HG13 ILE 522 HG11 ILE 522 6.489 -3.444 -5.795 387 HG21 ILE 522 HG21 ILE 522 2.986 -5.606 -4.836 388 HG22 ILE 522 HG22 ILE 522 4.473 -6.008 -3.976 389 HG23 ILE 522 HG23 ILE 522 4.336 -6.337 -5.702 390 HD11 ILE 522 HD11 ILE 522 6.383 -5.217 -3.378 391 HD12 ILE 522 HD12 ILE 522 6.714 -3.484 -3.432 392 HD13 ILE 522 HD13 ILE 522 7.878 -4.627 -4.104 393 H GLU 523 HN GLU 523 2.520 -4.532 -8.360 394 HA GLU 523 HA GLU 523 0.034 -3.461 -7.485 395 HB2 GLU 523 HB2 GLU 523 0.368 -3.826 -9.805 396 HB3 GLU 523 HB1 GLU 523 0.819 -5.500 -9.567 397 HG2 GLU 523 HG2 GLU 523 -1.553 -5.864 -8.733 398 HG3 GLU 523 HG1 GLU 523 -1.901 -4.241 -9.337 399 H PHE 524 HN PHE 524 -1.372 -4.266 -6.058 400 HA PHE 524 HA PHE 524 -1.548 -7.121 -5.574 401 HB2 PHE 524 HB2 PHE 524 -1.263 -6.970 -3.173 402 HB3 PHE 524 HB1 PHE 524 0.170 -6.328 -3.961 403 HD1 PHE 524 HD2 PHE 524 0.504 -3.853 -4.058 404 HD2 PHE 524 HD1 PHE 524 -2.554 -5.644 -1.699 405 HE1 PHE 524 HE2 PHE 524 0.288 -1.775 -2.762 406 HE2 PHE 524 HE1 PHE 524 -2.771 -3.569 -0.401 407 HZ PHE 524 HZ PHE 524 -1.330 -1.668 -0.871 408 H SER 525 HN SER 525 -3.566 -7.755 -4.916 409 HA SER 525 HA SER 525 -5.658 -5.750 -5.075 410 HB2 SER 525 HB2 SER 525 -5.902 -8.743 -4.685 411 HB3 SER 525 HB1 SER 525 -7.178 -7.633 -5.190 412 HG SER 525 HG SER 525 -4.901 -8.496 -6.623 413 H PHE 526 HN PHE 526 -7.206 -5.352 -3.371 414 HA PHE 526 HA PHE 526 -6.406 -6.447 -0.765 415 HB2 PHE 526 HB2 PHE 526 -5.364 -4.140 -1.223 416 HB3 PHE 526 HB1 PHE 526 -7.003 -3.512 -1.103 417 HD1 PHE 526 HD1 PHE 526 -8.184 -3.520 1.015 418 HD2 PHE 526 HD2 PHE 526 -4.193 -4.950 0.711 419 HE1 PHE 526 HE1 PHE 526 -7.966 -3.416 3.464 420 HE2 PHE 526 HE2 PHE 526 -3.966 -4.851 3.156 421 HZ PHE 526 HZ PHE 526 -5.854 -4.085 4.535 422 H ASP 527 HN ASP 527 -8.103 -7.353 0.098 423 HA ASP 527 HA ASP 527 -10.778 -6.336 -0.414 424 HB2 ASP 527 HB2 ASP 527 -10.219 -8.804 -0.224 425 HB3 ASP 527 HB1 ASP 527 -9.953 -8.527 1.491 426 H LEU 528 HN LEU 528 -11.580 -4.748 0.761 427 HA LEU 528 HA LEU 528 -10.061 -3.590 2.856 428 HB2 LEU 528 HB2 LEU 528 -12.843 -2.995 1.864 429 HB3 LEU 528 HB1 LEU 528 -11.930 -1.979 2.958 430 HG LEU 528 HG LEU 528 -11.037 -2.657 0.156 431 HD11 LEU 528 HD11 LEU 528 -13.117 -1.338 0.166 432 HD12 LEU 528 HD12 LEU 528 -11.742 -0.431 -0.463 433 HD13 LEU 528 HD13 LEU 528 -12.322 -0.129 1.176 434 HD21 LEU 528 HD21 LEU 528 -10.066 -0.569 2.101 435 HD22 LEU 528 HD22 LEU 528 -9.443 -0.862 0.476 436 HD23 LEU 528 HD23 LEU 528 -9.239 -2.081 1.730 437 H GLU 529 HN GLU 529 -12.192 -6.160 2.930 438 HA GLU 529 HA GLU 529 -12.830 -5.636 5.757 439 HB2 GLU 529 HB2 GLU 529 -14.218 -7.458 3.791 440 HB3 GLU 529 HB1 GLU 529 -14.645 -7.302 5.486 441 HG2 GLU 529 HG2 GLU 529 -15.100 -4.886 5.049 442 HG3 GLU 529 HG1 GLU 529 -14.862 -5.218 3.337 443 H ARG 530 HN ARG 530 -11.799 -8.150 3.468 444 HA ARG 530 HA ARG 530 -11.189 -10.019 5.577 445 HB2 ARG 530 HB2 ARG 530 -10.703 -10.085 2.601 446 HB3 ARG 530 HB1 ARG 530 -10.335 -11.407 3.688 447 HG2 ARG 530 HG2 ARG 530 -12.664 -11.672 4.234 448 HG3 ARG 530 HG1 ARG 530 -13.076 -10.250 3.272 449 HD2 ARG 530 HD2 ARG 530 -13.531 -12.359 2.078 450 HD3 ARG 530 HD1 ARG 530 -12.341 -11.357 1.253 451 HE ARG 530 HE ARG 530 -11.519 -13.606 2.973 452 HH11 ARG 530 HH11 ARG 530 -11.497 -11.969 -0.122 453 HH12 ARG 530 HH12 ARG 530 -10.268 -12.990 -0.796 454 HH21 ARG 530 HH21 ARG 530 -9.891 -14.956 2.084 455 HH22 ARG 530 HH22 ARG 530 -9.357 -14.689 0.453 456 H ASP 531 HN ASP 531 -9.301 -8.108 3.236 457 HA ASP 531 HA ASP 531 -6.847 -9.352 3.964 458 HB2 ASP 531 HB2 ASP 531 -7.607 -7.124 2.144 459 HB3 ASP 531 HB1 ASP 531 -5.927 -7.235 2.658 460 H VAL 532 HN VAL 532 -5.030 -8.442 4.863 461 HA VAL 532 HA VAL 532 -5.445 -6.131 6.644 462 HB VAL 532 HB VAL 532 -3.981 -8.710 7.227 463 HG11 VAL 532 HG11 VAL 532 -2.667 -6.887 8.089 464 HG12 VAL 532 HG12 VAL 532 -3.450 -7.737 9.420 465 HG13 VAL 532 HG13 VAL 532 -4.089 -6.188 8.866 466 HG21 VAL 532 HG21 VAL 532 -6.345 -8.911 7.545 467 HG22 VAL 532 HG22 VAL 532 -6.378 -7.435 8.512 468 HG23 VAL 532 HG23 VAL 532 -5.544 -8.870 9.116 469 HA PRO 533 HA PRO 533 -2.162 -4.450 4.206 470 HB2 PRO 533 HB2 PRO 533 -1.670 -2.811 6.636 471 HB3 PRO 533 HB1 PRO 533 -1.968 -2.295 4.975 472 HG2 PRO 533 HG2 PRO 533 -3.872 -2.053 6.801 473 HG3 PRO 533 HG1 PRO 533 -4.270 -2.595 5.162 474 HD2 PRO 533 HD2 PRO 533 -3.966 -4.204 7.670 475 HD3 PRO 533 HD1 PRO 533 -5.194 -4.332 6.395 476 H GLU 534 HN GLU 534 -1.478 -5.127 7.635 477 HA GLU 534 HA GLU 534 1.313 -5.351 7.321 478 HB2 GLU 534 HB2 GLU 534 -0.495 -6.570 9.405 479 HB3 GLU 534 HB1 GLU 534 1.254 -6.481 9.505 480 HG2 GLU 534 HG2 GLU 534 0.773 -4.644 10.710 481 HG3 GLU 534 HG1 GLU 534 0.757 -3.905 9.116 482 H ASP 535 HN ASP 535 -1.317 -7.653 7.049 483 HA ASP 535 HA ASP 535 0.299 -9.981 6.909 484 HB2 ASP 535 HB2 ASP 535 -2.557 -9.312 6.373 485 HB3 ASP 535 HB1 ASP 535 -1.942 -10.840 5.808 486 H VAL 536 HN VAL 536 -1.206 -7.868 4.505 487 HA VAL 536 HA VAL 536 -0.486 -9.325 2.213 488 HB VAL 536 HB VAL 536 -0.908 -6.344 2.518 489 HG11 VAL 536 HG11 VAL 536 -0.896 -8.017 0.006 490 HG12 VAL 536 HG12 VAL 536 0.368 -6.888 0.490 491 HG13 VAL 536 HG13 VAL 536 -1.249 -6.291 0.112 492 HG21 VAL 536 HG21 VAL 536 -3.145 -6.817 1.625 493 HG22 VAL 536 HG22 VAL 536 -2.856 -7.649 3.153 494 HG23 VAL 536 HG23 VAL 536 -2.775 -8.542 1.634 495 H ALA 537 HN ALA 537 1.240 -6.858 4.060 496 HA ALA 537 HA ALA 537 3.401 -6.599 2.245 497 HB1 ALA 537 HB1 ALA 537 3.403 -6.049 5.208 498 HB2 ALA 537 HB2 ALA 537 2.863 -4.921 3.965 499 HB3 ALA 537 HB3 ALA 537 4.550 -5.433 4.015 500 H GLN 538 HN GLN 538 2.610 -9.011 4.602 501 HA GLN 538 HA GLN 538 5.265 -10.099 4.758 502 HB2 GLN 538 HB2 GLN 538 2.557 -11.068 5.609 503 HB3 GLN 538 HB1 GLN 538 3.916 -12.182 5.570 504 HG2 GLN 538 HG2 GLN 538 3.804 -9.612 7.125 505 HG3 GLN 538 HG1 GLN 538 3.577 -11.229 7.789 506 HE21 GLN 538 HE21 GLN 538 5.632 -12.419 6.121 507 HE22 GLN 538 HE22 GLN 538 7.152 -11.898 6.761 508 H GLU 539 HN GLU 539 2.349 -10.743 2.892 509 HA GLU 539 HA GLU 539 3.257 -12.902 1.356 510 HB2 GLU 539 HB2 GLU 539 1.576 -10.627 0.281 511 HB3 GLU 539 HB1 GLU 539 1.564 -12.305 -0.237 512 HG2 GLU 539 HG2 GLU 539 0.693 -11.422 2.498 513 HG3 GLU 539 HG1 GLU 539 -0.404 -11.551 1.125 514 H MET 540 HN MET 540 3.599 -9.438 0.983 515 HA MET 540 HA MET 540 4.957 -9.252 -1.415 516 HB2 MET 540 HB2 MET 540 5.096 -7.611 1.094 517 HB3 MET 540 HB1 MET 540 5.959 -7.168 -0.373 518 HG2 MET 540 HG2 MET 540 3.887 -7.062 -1.599 519 HG3 MET 540 HG1 MET 540 2.995 -7.588 -0.173 520 HE1 MET 540 HE1 MET 540 2.538 -5.075 -2.055 521 HE2 MET 540 HE2 MET 540 2.078 -3.824 -0.896 522 HE3 MET 540 HE3 MET 540 1.435 -5.460 -0.735 523 H VAL 541 HN VAL 541 6.229 -9.827 1.833 524 HA VAL 541 HA VAL 541 8.965 -9.790 1.066 525 HB VAL 541 HB VAL 541 7.730 -11.079 3.507 526 HG11 VAL 541 HG11 VAL 541 10.555 -10.154 2.981 527 HG12 VAL 541 HG12 VAL 541 10.013 -11.829 3.084 528 HG13 VAL 541 HG13 VAL 541 9.946 -10.791 4.509 529 HG21 VAL 541 HG21 VAL 541 8.238 -8.995 4.660 530 HG22 VAL 541 HG22 VAL 541 7.128 -8.716 3.315 531 HG23 VAL 541 HG23 VAL 541 8.835 -8.295 3.155 532 H GLU 542 HN GLU 542 6.598 -12.387 1.589 533 HA GLU 542 HA GLU 542 8.418 -14.526 1.263 534 HB2 GLU 542 HB2 GLU 542 5.438 -14.449 0.793 535 HB3 GLU 542 HB1 GLU 542 6.408 -15.911 0.897 536 HG2 GLU 542 HG2 GLU 542 7.045 -15.209 3.215 537 HG3 GLU 542 HG1 GLU 542 5.848 -13.921 3.076 538 H SER 543 HN SER 543 6.608 -12.589 -0.998 539 HA SER 543 HA SER 543 7.086 -14.427 -3.169 540 HB2 SER 543 HB2 SER 543 4.971 -13.108 -2.958 541 HB3 SER 543 HB1 SER 543 5.902 -11.648 -3.286 542 HG SER 543 HG SER 543 6.352 -13.615 -5.124 543 H GLY 544 HN GLY 544 8.948 -12.169 -1.637 544 HA2 GLY 544 HA2 GLY 544 11.139 -11.621 -2.188 545 HA3 GLY 544 HA1 GLY 544 10.862 -12.238 -3.806 546 H TYR 545 HN TYR 545 8.557 -9.970 -2.648 547 HA TYR 545 HA TYR 545 9.550 -7.995 -4.543 548 HB2 TYR 545 HB2 TYR 545 7.011 -8.171 -2.921 549 HB3 TYR 545 HB1 TYR 545 7.424 -6.779 -3.908 550 HD1 TYR 545 HD2 TYR 545 8.118 -7.462 -6.417 551 HD2 TYR 545 HD1 TYR 545 5.595 -9.725 -3.851 552 HE1 TYR 545 HE2 TYR 545 7.122 -8.561 -8.375 553 HE2 TYR 545 HE1 TYR 545 4.597 -10.840 -5.805 554 HH TYR 545 HH TYR 545 5.941 -10.580 -8.950 555 H VAL 546 HN VAL 546 8.911 -8.342 -1.101 556 HA VAL 546 HA VAL 546 10.328 -5.801 -0.629 557 HB VAL 546 HB VAL 546 8.036 -6.988 0.948 558 HG11 VAL 546 HG11 VAL 546 9.731 -5.875 2.373 559 HG12 VAL 546 HG12 VAL 546 8.152 -5.094 2.401 560 HG13 VAL 546 HG13 VAL 546 9.466 -4.390 1.455 561 HG21 VAL 546 HG21 VAL 546 7.397 -5.897 -1.174 562 HG22 VAL 546 HG22 VAL 546 8.175 -4.415 -0.616 563 HG23 VAL 546 HG23 VAL 546 6.773 -5.054 0.245 564 H CYS 547 HN CYS 547 11.815 -5.748 1.036 565 HA CYS 547 HA CYS 547 12.696 -8.295 2.113 566 HB2 CYS 547 HB2 CYS 547 14.377 -6.630 1.395 567 HB3 CYS 547 HB1 CYS 547 13.751 -5.487 2.577 568 HG CYS 547 HG CYS 547 15.160 -8.497 3.406 569 H GLU 548 HN GLU 548 12.542 -8.889 4.232 570 HA GLU 548 HA GLU 548 10.126 -8.273 5.469 571 HB2 GLU 548 HB2 GLU 548 11.328 -10.408 5.695 572 HB3 GLU 548 HB1 GLU 548 12.555 -9.613 6.652 573 HG2 GLU 548 HG2 GLU 548 10.794 -9.045 8.316 574 HG3 GLU 548 HG1 GLU 548 9.673 -10.032 7.378 575 H GLY 549 HN GLY 549 13.167 -6.698 5.751 576 HA2 GLY 549 HA2 GLY 549 12.744 -5.610 8.375 577 HA3 GLY 549 HA1 GLY 549 13.987 -5.127 7.231 578 H ASP 550 HN ASP 550 11.738 -4.723 5.189 579 HA ASP 550 HA ASP 550 10.996 -2.038 6.126 580 HB2 ASP 550 HB2 ASP 550 11.049 -3.175 3.321 581 HB3 ASP 550 HB1 ASP 550 10.543 -1.545 3.736 582 H HIS 551 HN HIS 551 9.738 -4.771 6.598 583 HA HIS 551 HA HIS 551 7.323 -5.026 5.222 584 HB2 HIS 551 HB2 HIS 551 8.077 -6.874 6.504 585 HB3 HIS 551 HB1 HIS 551 8.199 -5.913 7.970 586 HD1 HIS 551 HD1 HIS 551 6.153 -5.753 9.436 587 HD2 HIS 551 HD2 HIS 551 5.398 -7.577 5.779 588 HE1 HIS 551 HE1 HIS 551 3.813 -6.652 9.602 589 HE2 HIS 551 HE2 HIS 551 3.343 -7.681 7.350 590 H LYS 552 HN LYS 552 8.023 -3.342 8.277 591 HA LYS 552 HA LYS 552 5.353 -2.584 8.818 592 HB2 LYS 552 HB2 LYS 552 7.093 -2.583 10.540 593 HB3 LYS 552 HB1 LYS 552 7.948 -1.311 9.689 594 HG2 LYS 552 HG2 LYS 552 6.080 0.216 10.081 595 HG3 LYS 552 HG1 LYS 552 5.224 -1.063 10.945 596 HD2 LYS 552 HD2 LYS 552 6.336 0.471 12.493 597 HD3 LYS 552 HD1 LYS 552 7.013 -1.153 12.603 598 HE2 LYS 552 HE2 LYS 552 8.885 -0.462 11.177 599 HE3 LYS 552 HE1 LYS 552 8.204 1.160 11.073 600 HZ1 LYS 552 HZ1 LYS 552 9.108 -0.167 13.570 601 HZ2 LYS 552 HZ2 LYS 552 8.493 1.405 13.447 602 HZ3 LYS 552 HZ3 LYS 552 9.968 1.016 12.719 603 H THR 553 HN THR 553 7.996 -1.019 7.100 604 HA THR 553 HA THR 553 6.792 1.460 6.607 605 HB THR 553 HB THR 553 8.748 -0.050 4.862 606 HG1 THR 553 HG1 THR 553 8.971 1.324 7.271 607 HG21 THR 553 HG21 THR 553 7.767 1.837 3.682 608 HG22 THR 553 HG22 THR 553 9.439 2.193 4.109 609 HG23 THR 553 HG23 THR 553 8.121 2.899 5.044 610 H MET 554 HN MET 554 6.754 -1.548 4.717 611 HA MET 554 HA MET 554 5.262 -0.505 2.548 612 HB2 MET 554 HB2 MET 554 5.526 -3.365 3.480 613 HB3 MET 554 HB1 MET 554 4.926 -2.850 1.910 614 HG2 MET 554 HG2 MET 554 7.700 -2.493 2.997 615 HG3 MET 554 HG1 MET 554 7.191 -3.563 1.693 616 HE1 MET 554 HE1 MET 554 9.256 -2.486 0.348 617 HE2 MET 554 HE2 MET 554 9.581 -1.323 1.637 618 HE3 MET 554 HE3 MET 554 9.381 -0.767 -0.025 619 H ALA 555 HN ALA 555 4.351 -2.410 5.389 620 HA ALA 555 HA ALA 555 1.613 -2.649 4.792 621 HB1 ALA 555 HB1 ALA 555 2.799 -3.995 6.493 622 HB2 ALA 555 HB2 ALA 555 1.339 -3.237 7.133 623 HB3 ALA 555 HB3 ALA 555 2.925 -2.559 7.513 624 H LYS 556 HN LYS 556 3.467 -0.137 6.399 625 HA LYS 556 HA LYS 556 1.275 1.362 7.356 626 HB2 LYS 556 HB2 LYS 556 3.563 1.669 8.182 627 HB3 LYS 556 HB1 LYS 556 4.053 2.270 6.602 628 HG2 LYS 556 HG2 LYS 556 3.709 4.106 8.134 629 HG3 LYS 556 HG1 LYS 556 2.514 4.146 6.838 630 HD2 LYS 556 HD2 LYS 556 1.393 4.628 8.898 631 HD3 LYS 556 HD1 LYS 556 0.904 3.020 8.365 632 HE2 LYS 556 HE2 LYS 556 1.320 2.959 10.723 633 HE3 LYS 556 HE1 LYS 556 2.593 2.054 9.909 634 HZ1 LYS 556 HZ1 LYS 556 4.018 4.034 10.111 635 HZ2 LYS 556 HZ2 LYS 556 3.529 3.439 11.615 636 HZ3 LYS 556 HZ3 LYS 556 2.794 4.818 10.978 637 H ALA 557 HN ALA 557 3.136 1.446 4.352 638 HA ALA 557 HA ALA 557 1.831 3.610 3.137 639 HB1 ALA 557 HB1 ALA 557 2.896 1.142 1.761 640 HB2 ALA 557 HB2 ALA 557 3.896 2.497 2.281 641 HB3 ALA 557 HB3 ALA 557 2.658 2.737 1.047 642 H ILE 558 HN ILE 558 1.135 0.152 3.120 643 HA ILE 558 HA ILE 558 -1.143 0.210 1.485 644 HB ILE 558 HB ILE 558 -0.571 -1.690 3.767 645 HG12 ILE 558 HG12 ILE 558 0.222 -1.923 0.865 646 HG13 ILE 558 HG11 ILE 558 1.310 -1.480 2.162 647 HG21 ILE 558 HG21 ILE 558 -2.828 -1.923 2.982 648 HG22 ILE 558 HG22 ILE 558 -1.876 -3.282 2.376 649 HG23 ILE 558 HG23 ILE 558 -2.284 -1.943 1.304 650 HD11 ILE 558 HD11 ILE 558 -0.120 -4.099 1.853 651 HD12 ILE 558 HD12 ILE 558 0.923 -3.659 3.205 652 HD13 ILE 558 HD13 ILE 558 1.595 -3.791 1.581 653 H LYS 559 HN LYS 559 -0.806 0.274 5.016 654 HA LYS 559 HA LYS 559 -3.539 0.361 5.633 655 HB2 LYS 559 HB2 LYS 559 -1.658 -0.174 7.211 656 HB3 LYS 559 HB1 LYS 559 -1.266 1.536 7.243 657 HG2 LYS 559 HG2 LYS 559 -3.463 2.037 8.178 658 HG3 LYS 559 HG1 LYS 559 -3.868 0.320 8.146 659 HD2 LYS 559 HD2 LYS 559 -1.569 1.521 9.690 660 HD3 LYS 559 HD1 LYS 559 -3.140 1.112 10.379 661 HE2 LYS 559 HE2 LYS 559 -1.273 -0.844 9.041 662 HE3 LYS 559 HE1 LYS 559 -1.421 -0.618 10.782 663 HZ1 LYS 559 HZ1 LYS 559 -3.606 -1.444 10.756 664 HZ2 LYS 559 HZ2 LYS 559 -2.711 -2.519 9.794 665 HZ3 LYS 559 HZ3 LYS 559 -3.720 -1.367 9.074 666 H ASP 560 HN ASP 560 -1.192 2.943 5.024 667 HA ASP 560 HA ASP 560 -2.832 5.078 5.869 668 HB2 ASP 560 HB2 ASP 560 -0.317 5.112 5.431 669 HB3 ASP 560 HB1 ASP 560 -0.732 5.285 3.730 670 H ARG 561 HN ARG 561 -2.360 3.535 2.721 671 HA ARG 561 HA ARG 561 -4.093 5.310 1.326 672 HB2 ARG 561 HB2 ARG 561 -2.401 4.004 0.134 673 HB3 ARG 561 HB1 ARG 561 -3.196 2.512 0.607 674 HG2 ARG 561 HG2 ARG 561 -3.672 3.202 -1.729 675 HG3 ARG 561 HG1 ARG 561 -5.113 3.030 -0.725 676 HD2 ARG 561 HD2 ARG 561 -5.134 5.452 -0.360 677 HD3 ARG 561 HD1 ARG 561 -3.723 5.619 -1.405 678 HE ARG 561 HE ARG 561 -6.397 4.744 -2.296 679 HH11 ARG 561 HH11 ARG 561 -3.268 6.151 -3.013 680 HH12 ARG 561 HH12 ARG 561 -3.795 6.859 -4.506 681 HH21 ARG 561 HH21 ARG 561 -7.087 5.697 -4.244 682 HH22 ARG 561 HH22 ARG 561 -5.957 6.595 -5.209 683 H VAL 562 HN VAL 562 -4.493 2.071 2.715 684 HA VAL 562 HA VAL 562 -7.146 1.682 1.920 685 HB VAL 562 HB VAL 562 -5.695 0.606 4.349 686 HG11 VAL 562 HG11 VAL 562 -7.387 -1.171 4.324 687 HG12 VAL 562 HG12 VAL 562 -8.250 -0.314 3.043 688 HG13 VAL 562 HG13 VAL 562 -8.090 0.415 4.642 689 HG21 VAL 562 HG21 VAL 562 -6.188 -0.664 1.656 690 HG22 VAL 562 HG22 VAL 562 -5.280 -1.356 3.004 691 HG23 VAL 562 HG23 VAL 562 -4.666 0.071 2.164 692 H SER 563 HN SER 563 -5.742 3.405 4.633 693 HA SER 563 HA SER 563 -8.022 3.839 6.170 694 HB2 SER 563 HB2 SER 563 -5.755 4.426 6.917 695 HB3 SER 563 HB1 SER 563 -5.686 5.710 5.713 696 HG SER 563 HG SER 563 -7.003 5.619 8.151 697 H LEU 564 HN LEU 564 -6.695 5.854 3.528 698 HA LEU 564 HA LEU 564 -8.848 7.710 3.661 699 HB2 LEU 564 HB2 LEU 564 -7.910 8.709 1.670 700 HB3 LEU 564 HB1 LEU 564 -6.663 8.360 2.837 701 HG LEU 564 HG LEU 564 -6.452 6.167 1.361 702 HD11 LEU 564 HD11 LEU 564 -6.702 6.723 -1.003 703 HD12 LEU 564 HD12 LEU 564 -7.402 8.281 -0.563 704 HD13 LEU 564 HD13 LEU 564 -8.251 6.789 -0.161 705 HD21 LEU 564 HD21 LEU 564 -5.252 8.864 0.757 706 HD22 LEU 564 HD22 LEU 564 -4.629 7.328 0.157 707 HD23 LEU 564 HD23 LEU 564 -4.633 7.661 1.889 708 H ILE 565 HN ILE 565 -8.162 4.898 1.712 709 HA ILE 565 HA ILE 565 -10.359 4.983 -0.016 710 HB ILE 565 HB ILE 565 -8.854 2.672 1.181 711 HG12 ILE 565 HG12 ILE 565 -8.884 3.815 -1.606 712 HG13 ILE 565 HG11 ILE 565 -7.706 4.236 -0.377 713 HG21 ILE 565 HG21 ILE 565 -10.944 2.580 -0.996 714 HG22 ILE 565 HG22 ILE 565 -11.099 1.891 0.620 715 HG23 ILE 565 HG23 ILE 565 -9.908 1.240 -0.506 716 HD11 ILE 565 HD11 ILE 565 -8.147 1.507 -1.525 717 HD12 ILE 565 HD12 ILE 565 -6.958 1.936 -0.296 718 HD13 ILE 565 HD13 ILE 565 -6.826 2.605 -1.922 719 H LYS 566 HN LYS 566 -10.044 3.484 3.195 720 HA LYS 566 HA LYS 566 -12.761 2.684 3.397 721 HB2 LYS 566 HB2 LYS 566 -10.610 3.104 5.457 722 HB3 LYS 566 HB1 LYS 566 -12.239 2.624 5.898 723 HG2 LYS 566 HG2 LYS 566 -12.000 0.623 4.472 724 HG3 LYS 566 HG1 LYS 566 -10.332 1.097 4.149 725 HD2 LYS 566 HD2 LYS 566 -9.822 0.976 6.532 726 HD3 LYS 566 HD1 LYS 566 -11.495 0.539 6.876 727 HE2 LYS 566 HE2 LYS 566 -11.228 -1.508 5.567 728 HE3 LYS 566 HE1 LYS 566 -9.557 -1.069 5.217 729 HZ1 LYS 566 HZ1 LYS 566 -9.094 -1.156 7.602 730 HZ2 LYS 566 HZ2 LYS 566 -9.660 -2.642 7.025 731 HZ3 LYS 566 HZ3 LYS 566 -10.690 -1.631 7.904 732 H ARG 567 HN ARG 567 -11.141 5.690 3.956 733 HA ARG 567 HA ARG 567 -13.021 6.934 5.629 734 HB2 ARG 567 HB2 ARG 567 -10.637 7.672 4.922 735 HB3 ARG 567 HB1 ARG 567 -11.426 8.380 3.523 736 HG2 ARG 567 HG2 ARG 567 -12.242 9.044 6.330 737 HG3 ARG 567 HG1 ARG 567 -10.959 9.907 5.485 738 HD2 ARG 567 HD2 ARG 567 -12.496 10.589 3.759 739 HD3 ARG 567 HD1 ARG 567 -13.780 9.614 4.474 740 HE ARG 567 HE ARG 567 -12.766 11.500 6.341 741 HH11 ARG 567 HH11 ARG 567 -14.812 11.252 3.514 742 HH12 ARG 567 HH12 ARG 567 -15.813 12.595 3.965 743 HH21 ARG 567 HH21 ARG 567 -14.078 13.257 6.944 744 HH22 ARG 567 HH22 ARG 567 -15.396 13.737 5.917 745 H LYS 568 HN LYS 568 -12.861 6.432 2.159 746 HA LYS 568 HA LYS 568 -15.087 7.971 1.423 747 HB2 LYS 568 HB2 LYS 568 -13.345 6.926 -0.092 748 HB3 LYS 568 HB1 LYS 568 -14.180 5.394 0.138 749 HG2 LYS 568 HG2 LYS 568 -16.156 6.237 -0.891 750 HG3 LYS 568 HG1 LYS 568 -15.482 7.863 -0.927 751 HD2 LYS 568 HD2 LYS 568 -13.752 7.130 -2.482 752 HD3 LYS 568 HD1 LYS 568 -14.400 5.489 -2.434 753 HE2 LYS 568 HE2 LYS 568 -16.459 6.215 -3.435 754 HE3 LYS 568 HE1 LYS 568 -15.962 7.903 -3.336 755 HZ1 LYS 568 HZ1 LYS 568 -14.235 7.489 -4.923 756 HZ2 LYS 568 HZ2 LYS 568 -15.706 6.947 -5.568 757 HZ3 LYS 568 HZ3 LYS 568 -14.581 5.832 -4.960 758 H ARG 569 HN ARG 569 -14.733 4.686 2.649 759 HA ARG 569 HA ARG 569 -17.485 3.989 2.440 760 HB2 ARG 569 HB2 ARG 569 -15.109 2.834 3.844 761 HB3 ARG 569 HB1 ARG 569 -16.718 2.201 4.139 762 HG2 ARG 569 HG2 ARG 569 -15.602 0.886 2.498 763 HG3 ARG 569 HG1 ARG 569 -16.954 1.714 1.753 764 HD2 ARG 569 HD2 ARG 569 -15.429 3.341 0.791 765 HD3 ARG 569 HD1 ARG 569 -14.065 2.563 1.597 766 HE ARG 569 HE ARG 569 -15.318 0.608 0.088 767 HH11 ARG 569 HH11 ARG 569 -13.642 3.626 -0.492 768 HH12 ARG 569 HH12 ARG 569 -13.072 3.152 -2.070 769 HH21 ARG 569 HH21 ARG 569 -14.538 -0.025 -1.960 770 HH22 ARG 569 HH22 ARG 569 -13.588 1.094 -2.909 771 H GLU 570 HN GLU 570 -15.785 6.012 4.565 772 HA GLU 570 HA GLU 570 -17.411 5.518 6.886 773 HB2 GLU 570 HB2 GLU 570 -15.365 7.620 6.212 774 HB3 GLU 570 HB1 GLU 570 -16.282 7.648 7.713 775 HG2 GLU 570 HG2 GLU 570 -14.565 5.350 6.815 776 HG3 GLU 570 HG1 GLU 570 -14.041 6.621 7.918 777 H GLN 571 HN GLN 571 -19.237 5.819 5.112 778 HA GLN 571 HA GLN 571 -20.118 8.604 5.006 779 HB2 GLN 571 HB2 GLN 571 -21.274 6.098 3.772 780 HB3 GLN 571 HB1 GLN 571 -21.922 7.717 3.553 781 HG2 GLN 571 HG2 GLN 571 -19.915 8.413 2.428 782 HG3 GLN 571 HG1 GLN 571 -19.158 6.854 2.747 783 HE21 GLN 571 HE21 GLN 571 -18.831 6.416 0.602 784 HE22 GLN 571 HE22 GLN 571 -20.120 6.018 -0.482 785 H ARG 572 HN ARG 572 -22.243 9.179 5.710 786 HA ARG 572 HA ARG 572 -23.077 7.632 8.046 787 HB2 ARG 572 HB2 ARG 572 -23.709 10.457 7.177 788 HB3 ARG 572 HB1 ARG 572 -24.368 9.694 8.617 789 HG2 ARG 572 HG2 ARG 572 -22.144 9.476 9.554 790 HG3 ARG 572 HG1 ARG 572 -21.440 10.155 8.086 791 HD2 ARG 572 HD2 ARG 572 -21.598 11.824 9.869 792 HD3 ARG 572 HD1 ARG 572 -22.596 12.256 8.481 793 HE ARG 572 HE ARG 572 -24.082 10.813 10.441 794 HH11 ARG 572 HH11 ARG 572 -22.791 13.973 9.666 795 HH12 ARG 572 HH12 ARG 572 -23.980 14.829 10.592 796 HH21 ARG 572 HH21 ARG 572 -25.650 11.936 11.671 797 HH22 ARG 572 HH22 ARG 572 -25.599 13.670 11.747 Start of MODEL 5 1 H1 GLY 475 HT1 GLY 475 -0.301 14.807 10.825 2 H2 GLY 475 HT2 GLY 475 0.622 15.347 12.134 3 H3 GLY 475 HT3 GLY 475 1.066 13.939 11.310 4 HA2 GLY 475 HA1 GLY 475 1.064 16.677 10.168 5 HA3 GLY 475 HA2 GLY 475 2.489 15.799 10.699 6 H ALA 476 HN ALA 476 3.130 16.275 8.440 7 HA ALA 476 HA ALA 476 3.650 15.563 6.358 8 HB1 ALA 476 HB1 ALA 476 3.476 13.185 5.851 9 HB2 ALA 476 HB2 ALA 476 2.459 12.949 7.273 10 HB3 ALA 476 HB3 ALA 476 4.139 13.452 7.464 11 H MET 477 HN MET 477 1.260 16.968 6.640 12 HA MET 477 HA MET 477 -0.863 15.805 5.145 13 HB2 MET 477 HB2 MET 477 -1.162 17.718 6.684 14 HB3 MET 477 HB1 MET 477 -0.194 18.719 5.611 15 HG2 MET 477 HG2 MET 477 -1.863 18.484 3.859 16 HG3 MET 477 HG1 MET 477 -2.826 17.439 4.903 17 HE1 MET 477 HE1 MET 477 -4.042 20.041 3.485 18 HE2 MET 477 HE2 MET 477 -4.994 20.683 4.822 19 HE3 MET 477 HE3 MET 477 -4.946 18.945 4.529 20 H ASP 478 HN ASP 478 1.966 17.710 4.374 21 HA ASP 478 HA ASP 478 1.393 17.374 1.508 22 HB2 ASP 478 HB2 ASP 478 3.047 19.116 1.092 23 HB3 ASP 478 HB1 ASP 478 1.826 19.700 2.213 24 HA PRO 479 HA PRO 479 4.376 14.110 1.228 25 HB2 PRO 479 HB2 PRO 479 4.769 15.208 -1.503 26 HB3 PRO 479 HB1 PRO 479 4.342 13.568 -0.999 27 HG2 PRO 479 HG2 PRO 479 2.521 15.170 -2.077 28 HG3 PRO 479 HG1 PRO 479 2.101 14.108 -0.719 29 HD2 PRO 479 HD2 PRO 479 2.656 17.048 -0.718 30 HD3 PRO 479 HD1 PRO 479 1.426 16.131 0.166 31 H GLN 480 HN GLN 480 5.551 16.189 2.575 32 HA GLN 480 HA GLN 480 7.982 16.915 1.167 33 HB2 GLN 480 HB2 GLN 480 8.611 17.963 3.362 34 HB3 GLN 480 HB1 GLN 480 7.132 18.589 2.649 35 HG2 GLN 480 HG2 GLN 480 5.794 17.285 4.172 36 HG3 GLN 480 HG1 GLN 480 7.239 16.523 4.835 37 HE21 GLN 480 HE21 GLN 480 5.377 19.458 4.634 38 HE22 GLN 480 HE22 GLN 480 6.120 20.246 5.990 39 H GLU 481 HN GLU 481 6.984 14.834 3.830 40 HA GLU 481 HA GLU 481 8.931 12.866 3.368 41 HB2 GLU 481 HB2 GLU 481 10.354 14.777 4.326 42 HB3 GLU 481 HB1 GLU 481 9.511 14.498 5.844 43 HG2 GLU 481 HG2 GLU 481 11.553 13.332 5.976 44 HG3 GLU 481 HG1 GLU 481 10.298 12.120 5.729 45 H GLU 482 HN GLU 482 7.922 11.099 4.103 46 HA GLU 482 HA GLU 482 6.644 11.125 6.696 47 HB2 GLU 482 HB2 GLU 482 4.473 10.312 5.834 48 HB3 GLU 482 HB1 GLU 482 4.836 11.951 5.322 49 HG2 GLU 482 HG2 GLU 482 5.591 11.037 3.141 50 HG3 GLU 482 HG1 GLU 482 5.038 9.450 3.668 51 H THR 483 HN THR 483 6.827 9.211 3.712 52 HA THR 483 HA THR 483 8.221 7.065 4.979 53 HB THR 483 HB THR 483 5.451 6.426 3.935 54 HG1 THR 483 HG1 THR 483 6.198 7.421 6.375 55 HG21 THR 483 HG21 THR 483 7.371 4.843 5.635 56 HG22 THR 483 HG22 THR 483 7.155 4.641 3.899 57 HG23 THR 483 HG23 THR 483 5.824 4.285 5.000 58 H GLY 484 HN GLY 484 9.274 5.850 3.391 59 HA2 GLY 484 HA2 GLY 484 9.325 7.094 0.796 60 HA3 GLY 484 HA1 GLY 484 10.356 5.777 1.341 61 H VAL 485 HN VAL 485 6.840 5.838 1.268 62 HA VAL 485 HA VAL 485 6.697 4.250 -1.145 63 HB VAL 485 HB VAL 485 5.065 2.688 0.209 64 HG11 VAL 485 HG11 VAL 485 8.039 2.265 0.319 65 HG12 VAL 485 HG12 VAL 485 7.023 1.953 -1.089 66 HG13 VAL 485 HG13 VAL 485 6.784 1.025 0.398 67 HG21 VAL 485 HG21 VAL 485 7.080 3.482 2.284 68 HG22 VAL 485 HG22 VAL 485 5.913 2.165 2.430 69 HG23 VAL 485 HG23 VAL 485 5.354 3.838 2.313 70 H ARG 486 HN ARG 486 4.516 4.022 -1.877 71 HA ARG 486 HA ARG 486 2.411 5.420 -0.506 72 HB2 ARG 486 HB2 ARG 486 3.515 7.304 -1.510 73 HB3 ARG 486 HB1 ARG 486 3.588 6.505 -3.070 74 HG2 ARG 486 HG2 ARG 486 1.880 8.248 -2.974 75 HG3 ARG 486 HG1 ARG 486 1.187 6.657 -3.290 76 HD2 ARG 486 HD2 ARG 486 0.453 6.455 -1.020 77 HD3 ARG 486 HD1 ARG 486 1.317 7.926 -0.558 78 HE ARG 486 HE ARG 486 -0.589 8.414 -2.622 79 HH11 ARG 486 HH11 ARG 486 -0.262 7.929 0.819 80 HH12 ARG 486 HH12 ARG 486 -1.663 8.868 1.218 81 HH21 ARG 486 HH21 ARG 486 -2.434 9.659 -2.117 82 HH22 ARG 486 HH22 ARG 486 -2.901 9.862 -0.457 83 H VAL 487 HN VAL 487 0.474 4.635 -1.075 84 HA VAL 487 HA VAL 487 0.481 2.664 -3.260 85 HB VAL 487 HB VAL 487 -1.170 2.665 -0.732 86 HG11 VAL 487 HG11 VAL 487 -2.392 1.714 -2.633 87 HG12 VAL 487 HG12 VAL 487 -1.960 0.476 -1.452 88 HG13 VAL 487 HG13 VAL 487 -1.040 0.626 -2.950 89 HG21 VAL 487 HG21 VAL 487 1.159 2.125 -0.362 90 HG22 VAL 487 HG22 VAL 487 1.101 0.919 -1.647 91 HG23 VAL 487 HG23 VAL 487 0.159 0.684 -0.176 92 H GLU 488 HN GLU 488 -1.022 2.728 -4.783 93 HA GLU 488 HA GLU 488 -3.176 4.722 -4.576 94 HB2 GLU 488 HB2 GLU 488 -1.343 4.333 -6.953 95 HB3 GLU 488 HB1 GLU 488 -2.729 5.412 -6.898 96 HG2 GLU 488 HG2 GLU 488 -1.615 6.637 -5.039 97 HG3 GLU 488 HG1 GLU 488 -0.192 5.630 -5.301 98 H LEU 489 HN LEU 489 -4.842 4.411 -6.266 99 HA LEU 489 HA LEU 489 -5.608 1.627 -6.309 100 HB2 LEU 489 HB2 LEU 489 -6.999 4.057 -7.420 101 HB3 LEU 489 HB1 LEU 489 -7.694 2.458 -7.291 102 HG LEU 489 HG LEU 489 -6.830 4.111 -4.916 103 HD11 LEU 489 HD11 LEU 489 -9.218 4.534 -4.600 104 HD12 LEU 489 HD12 LEU 489 -9.579 3.673 -6.096 105 HD13 LEU 489 HD13 LEU 489 -8.663 5.181 -6.143 106 HD21 LEU 489 HD21 LEU 489 -8.070 2.519 -3.616 107 HD22 LEU 489 HD22 LEU 489 -6.909 1.637 -4.615 108 HD23 LEU 489 HD23 LEU 489 -8.611 1.681 -5.073 109 H ALA 490 HN ALA 490 -5.517 0.282 -8.000 110 HA ALA 490 HA ALA 490 -4.445 1.126 -10.538 111 HB1 ALA 490 HB1 ALA 490 -5.721 -1.488 -9.729 112 HB2 ALA 490 HB2 ALA 490 -3.999 -1.119 -9.664 113 HB3 ALA 490 HB3 ALA 490 -4.827 -1.195 -11.219 114 H GLU 491 HN GLU 491 -7.498 0.787 -9.059 115 HA GLU 491 HA GLU 491 -8.849 1.646 -11.503 116 HB2 GLU 491 HB2 GLU 491 -10.713 0.114 -11.068 117 HB3 GLU 491 HB1 GLU 491 -9.222 -0.779 -11.335 118 HG2 GLU 491 HG2 GLU 491 -8.965 -1.049 -8.927 119 HG3 GLU 491 HG1 GLU 491 -10.465 -0.176 -8.665 120 H GLU 492 HN GLU 492 -10.887 2.685 -11.030 121 HA GLU 492 HA GLU 492 -10.559 4.450 -8.803 122 HB2 GLU 492 HB2 GLU 492 -12.810 4.276 -10.814 123 HB3 GLU 492 HB1 GLU 492 -12.513 5.612 -9.711 124 HG2 GLU 492 HG2 GLU 492 -10.388 6.062 -10.812 125 HG3 GLU 492 HG1 GLU 492 -10.672 4.714 -11.914 126 H ASP 493 HN ASP 493 -11.432 4.265 -6.863 127 HA ASP 493 HA ASP 493 -13.328 2.120 -6.384 128 HB2 ASP 493 HB2 ASP 493 -11.401 2.345 -4.863 129 HB3 ASP 493 HB1 ASP 493 -11.976 3.940 -4.383 130 H ASP 494 HN ASP 494 -15.433 2.447 -6.325 131 HA ASP 494 HA ASP 494 -16.521 4.882 -5.190 132 HB2 ASP 494 HB2 ASP 494 -16.162 5.390 -7.617 133 HB3 ASP 494 HB1 ASP 494 -17.259 4.073 -8.010 134 H GLY 495 HN GLY 495 -17.306 3.403 -3.612 135 HA2 GLY 495 HA2 GLY 495 -19.886 2.886 -3.552 136 HA3 GLY 495 HA1 GLY 495 -19.337 1.518 -4.505 137 H GLU 496 HN GLU 496 -18.318 -0.142 -3.565 138 HA GLU 496 HA GLU 496 -17.601 -0.194 -0.809 139 HB2 GLU 496 HB2 GLU 496 -19.468 -1.678 -0.082 140 HB3 GLU 496 HB1 GLU 496 -19.966 -0.034 -0.464 141 HG2 GLU 496 HG2 GLU 496 -20.699 -0.827 -2.693 142 HG3 GLU 496 HG1 GLU 496 -20.329 -2.474 -2.183 143 H LYS 497 HN LYS 497 -16.331 -0.988 -3.155 144 HA LYS 497 HA LYS 497 -16.450 -3.739 -3.677 145 HB2 LYS 497 HB2 LYS 497 -14.125 -1.816 -3.850 146 HB3 LYS 497 HB1 LYS 497 -14.180 -3.407 -4.575 147 HG2 LYS 497 HG2 LYS 497 -15.979 -2.745 -6.028 148 HG3 LYS 497 HG1 LYS 497 -16.055 -1.162 -5.249 149 HD2 LYS 497 HD2 LYS 497 -13.822 -0.638 -6.040 150 HD3 LYS 497 HD1 LYS 497 -13.666 -2.251 -6.739 151 HE2 LYS 497 HE2 LYS 497 -15.550 -1.768 -8.235 152 HE3 LYS 497 HE1 LYS 497 -15.670 -0.149 -7.550 153 HZ1 LYS 497 HZ1 LYS 497 -13.258 -1.201 -8.935 154 HZ2 LYS 497 HZ2 LYS 497 -13.524 0.390 -8.416 155 HZ3 LYS 497 HZ3 LYS 497 -14.449 -0.252 -9.676 156 H ILE 498 HN ILE 498 -15.706 -5.438 -2.566 157 HA ILE 498 HA ILE 498 -14.657 -4.979 0.085 158 HB ILE 498 HB ILE 498 -15.494 -7.477 -1.363 159 HG12 ILE 498 HG12 ILE 498 -17.289 -5.978 -0.633 160 HG13 ILE 498 HG11 ILE 498 -17.297 -7.478 0.276 161 HG21 ILE 498 HG21 ILE 498 -13.654 -8.054 0.127 162 HG22 ILE 498 HG22 ILE 498 -15.180 -8.689 0.738 163 HG23 ILE 498 HG23 ILE 498 -14.472 -7.246 1.464 164 HD11 ILE 498 HD11 ILE 498 -17.728 -5.644 1.753 165 HD12 ILE 498 HD12 ILE 498 -16.261 -4.827 1.217 166 HD13 ILE 498 HD13 ILE 498 -16.148 -6.336 2.125 167 H ALA 499 HN ALA 499 -13.565 -5.940 -3.025 168 HA ALA 499 HA ALA 499 -10.848 -6.164 -1.957 169 HB1 ALA 499 HB1 ALA 499 -12.129 -7.998 -3.958 170 HB2 ALA 499 HB2 ALA 499 -11.638 -8.401 -2.312 171 HB3 ALA 499 HB3 ALA 499 -10.417 -8.003 -3.525 172 H ILE 500 HN ILE 500 -9.567 -4.778 -2.877 173 HA ILE 500 HA ILE 500 -10.313 -3.665 -5.496 174 HB ILE 500 HB ILE 500 -9.423 -1.562 -4.820 175 HG12 ILE 500 HG12 ILE 500 -8.510 -2.953 -2.293 176 HG13 ILE 500 HG11 ILE 500 -7.480 -2.286 -3.552 177 HG21 ILE 500 HG21 ILE 500 -11.045 -2.728 -2.582 178 HG22 ILE 500 HG22 ILE 500 -11.680 -2.043 -4.081 179 HG23 ILE 500 HG23 ILE 500 -10.850 -1.008 -2.918 180 HD11 ILE 500 HD11 ILE 500 -9.307 -0.708 -1.763 181 HD12 ILE 500 HD12 ILE 500 -8.250 -0.048 -3.011 182 HD13 ILE 500 HD13 ILE 500 -7.558 -0.846 -1.599 183 H LYS 501 HN LYS 501 -8.216 -2.391 -6.312 184 HA LYS 501 HA LYS 501 -5.940 -4.238 -6.114 185 HB2 LYS 501 HB2 LYS 501 -7.252 -4.537 -8.233 186 HB3 LYS 501 HB1 LYS 501 -6.841 -2.882 -8.658 187 HG2 LYS 501 HG2 LYS 501 -4.471 -3.459 -8.662 188 HG3 LYS 501 HG1 LYS 501 -4.866 -5.113 -8.197 189 HD2 LYS 501 HD2 LYS 501 -5.777 -3.756 -10.734 190 HD3 LYS 501 HD1 LYS 501 -4.423 -4.880 -10.614 191 HE2 LYS 501 HE2 LYS 501 -5.924 -6.648 -9.895 192 HE3 LYS 501 HE1 LYS 501 -7.287 -5.531 -9.920 193 HZ1 LYS 501 HZ1 LYS 501 -6.986 -5.273 -12.298 194 HZ2 LYS 501 HZ2 LYS 501 -7.229 -6.899 -11.901 195 HZ3 LYS 501 HZ3 LYS 501 -5.677 -6.343 -12.277 196 H LEU 502 HN LEU 502 -4.215 -3.246 -5.392 197 HA LEU 502 HA LEU 502 -3.950 -0.333 -5.794 198 HB2 LEU 502 HB2 LEU 502 -3.035 -2.045 -3.479 199 HB3 LEU 502 HB1 LEU 502 -2.731 -0.327 -3.646 200 HG LEU 502 HG LEU 502 -5.529 -1.422 -3.539 201 HD11 LEU 502 HD11 LEU 502 -5.528 -0.949 -1.151 202 HD12 LEU 502 HD12 LEU 502 -3.816 -0.536 -1.223 203 HD13 LEU 502 HD13 LEU 502 -4.339 -2.188 -1.548 204 HD21 LEU 502 HD21 LEU 502 -4.402 1.269 -2.788 205 HD22 LEU 502 HD22 LEU 502 -6.101 0.809 -2.892 206 HD23 LEU 502 HD23 LEU 502 -5.119 0.892 -4.354 207 H TRP 503 HN TRP 503 -1.800 0.465 -6.099 208 HA TRP 503 HA TRP 503 0.232 -1.607 -6.615 209 HB2 TRP 503 HB2 TRP 503 -0.162 1.061 -7.965 210 HB3 TRP 503 HB1 TRP 503 1.328 0.142 -8.088 211 HD1 TRP 503 HD1 TRP 503 -2.425 -0.562 -8.737 212 HE1 TRP 503 HE1 TRP 503 -2.629 -1.877 -10.939 213 HE3 TRP 503 HE3 TRP 503 2.528 -1.114 -9.805 214 HZ2 TRP 503 HZ2 TRP 503 -0.914 -3.007 -12.857 215 HZ3 TRP 503 HZ3 TRP 503 3.162 -2.346 -11.831 216 HH2 TRP 503 HH2 TRP 503 1.479 -3.272 -13.326 217 H LEU 504 HN LEU 504 1.805 -1.629 -5.196 218 HA LEU 504 HA LEU 504 2.222 0.545 -3.356 219 HB2 LEU 504 HB2 LEU 504 2.458 -1.738 -2.602 220 HB3 LEU 504 HB1 LEU 504 3.697 -2.045 -3.794 221 HG LEU 504 HG LEU 504 5.147 -0.375 -2.626 222 HD11 LEU 504 HD11 LEU 504 3.416 0.911 -1.516 223 HD12 LEU 504 HD12 LEU 504 4.555 0.258 -0.339 224 HD13 LEU 504 HD13 LEU 504 2.972 -0.492 -0.546 225 HD21 LEU 504 HD21 LEU 504 5.717 -1.862 -0.772 226 HD22 LEU 504 HD22 LEU 504 5.408 -2.766 -2.254 227 HD23 LEU 504 HD23 LEU 504 4.186 -2.712 -0.984 228 H ARG 505 HN ARG 505 2.936 2.280 -4.459 229 HA ARG 505 HA ARG 505 5.209 2.054 -6.248 230 HB2 ARG 505 HB2 ARG 505 3.289 4.222 -5.554 231 HB3 ARG 505 HB1 ARG 505 4.825 4.639 -6.301 232 HG2 ARG 505 HG2 ARG 505 4.314 3.173 -8.172 233 HG3 ARG 505 HG1 ARG 505 2.783 2.730 -7.418 234 HD2 ARG 505 HD2 ARG 505 2.002 5.000 -7.597 235 HD3 ARG 505 HD1 ARG 505 3.568 5.519 -8.218 236 HE ARG 505 HE ARG 505 2.884 3.668 -10.015 237 HH11 ARG 505 HH11 ARG 505 0.983 6.288 -8.656 238 HH12 ARG 505 HH12 ARG 505 0.054 6.513 -10.106 239 HH21 ARG 505 HH21 ARG 505 1.659 3.968 -11.902 240 HH22 ARG 505 HH22 ARG 505 0.424 5.187 -11.948 241 H ILE 506 HN ILE 506 7.200 2.153 -5.549 242 HA ILE 506 HA ILE 506 7.844 2.900 -2.861 243 HB ILE 506 HB ILE 506 9.745 2.411 -5.148 244 HG12 ILE 506 HG12 ILE 506 8.260 0.479 -4.864 245 HG13 ILE 506 HG11 ILE 506 9.900 0.094 -4.355 246 HG21 ILE 506 HG21 ILE 506 10.862 3.480 -3.347 247 HG22 ILE 506 HG22 ILE 506 11.294 1.770 -3.295 248 HG23 ILE 506 HG23 ILE 506 10.099 2.411 -2.169 249 HD11 ILE 506 HD11 ILE 506 8.346 -0.868 -2.817 250 HD12 ILE 506 HD12 ILE 506 7.546 0.684 -2.582 251 HD13 ILE 506 HD13 ILE 506 9.198 0.449 -2.010 252 H GLU 507 HN GLU 507 8.213 4.887 -2.151 253 HA GLU 507 HA GLU 507 8.410 7.082 -4.024 254 HB2 GLU 507 HB2 GLU 507 8.075 6.885 -1.037 255 HB3 GLU 507 HB1 GLU 507 8.287 8.418 -1.867 256 HG2 GLU 507 HG2 GLU 507 6.098 6.488 -2.550 257 HG3 GLU 507 HG1 GLU 507 5.931 7.742 -1.323 258 H ASP 508 HN ASP 508 10.341 5.628 -1.432 259 HA ASP 508 HA ASP 508 12.718 6.965 -2.441 260 HB2 ASP 508 HB2 ASP 508 11.698 8.567 -0.820 261 HB3 ASP 508 HB1 ASP 508 11.844 7.337 0.431 262 H ILE 509 HN ILE 509 13.975 5.253 -2.719 263 HA ILE 509 HA ILE 509 13.744 2.912 -1.126 264 HB ILE 509 HB ILE 509 15.624 2.061 -2.467 265 HG12 ILE 509 HG12 ILE 509 15.322 4.683 -3.923 266 HG13 ILE 509 HG11 ILE 509 16.694 4.250 -2.898 267 HG21 ILE 509 HG21 ILE 509 13.278 1.745 -3.092 268 HG22 ILE 509 HG22 ILE 509 14.323 1.874 -4.507 269 HG23 ILE 509 HG23 ILE 509 13.328 3.246 -4.014 270 HD11 ILE 509 HD11 ILE 509 17.215 3.904 -5.229 271 HD12 ILE 509 HD12 ILE 509 15.819 2.837 -5.387 272 HD13 ILE 509 HD13 ILE 509 17.170 2.372 -4.359 273 H LYS 510 HN LYS 510 15.469 5.766 -0.671 274 HA LYS 510 HA LYS 510 17.777 4.666 0.607 275 HB2 LYS 510 HB2 LYS 510 16.541 7.414 0.845 276 HB3 LYS 510 HB1 LYS 510 18.137 6.961 1.414 277 HG2 LYS 510 HG2 LYS 510 17.214 6.998 -1.447 278 HG3 LYS 510 HG1 LYS 510 18.283 8.168 -0.675 279 HD2 LYS 510 HD2 LYS 510 19.872 6.287 -0.221 280 HD3 LYS 510 HD1 LYS 510 18.838 5.254 -1.210 281 HE2 LYS 510 HE2 LYS 510 20.245 7.765 -2.108 282 HE3 LYS 510 HE1 LYS 510 20.698 6.113 -2.519 283 HZ1 LYS 510 HZ1 LYS 510 18.125 7.403 -3.256 284 HZ2 LYS 510 HZ2 LYS 510 18.637 5.857 -3.713 285 HZ3 LYS 510 HZ3 LYS 510 19.451 7.220 -4.287 286 H LYS 511 HN LYS 511 14.535 5.398 1.507 287 HA LYS 511 HA LYS 511 14.885 5.302 4.326 288 HB2 LYS 511 HB2 LYS 511 13.032 6.522 3.596 289 HB3 LYS 511 HB1 LYS 511 12.612 5.326 2.377 290 HG2 LYS 511 HG2 LYS 511 10.972 5.113 4.012 291 HG3 LYS 511 HG1 LYS 511 12.112 3.796 4.276 292 HD2 LYS 511 HD2 LYS 511 13.172 5.008 6.073 293 HD3 LYS 511 HD1 LYS 511 12.124 6.389 5.772 294 HE2 LYS 511 HE2 LYS 511 10.171 5.033 6.366 295 HE3 LYS 511 HE1 LYS 511 11.228 3.657 6.676 296 HZ1 LYS 511 HZ1 LYS 511 12.298 4.924 8.433 297 HZ2 LYS 511 HZ2 LYS 511 10.639 4.785 8.720 298 HZ3 LYS 511 HZ3 LYS 511 11.276 6.239 8.138 299 H LEU 512 HN LEU 512 14.447 3.055 1.754 300 HA LEU 512 HA LEU 512 13.510 0.923 3.490 301 HB2 LEU 512 HB2 LEU 512 14.093 0.849 0.535 302 HB3 LEU 512 HB1 LEU 512 13.159 -0.314 1.459 303 HG LEU 512 HG LEU 512 12.366 2.556 0.959 304 HD11 LEU 512 HD11 LEU 512 10.601 1.545 -0.431 305 HD12 LEU 512 HD12 LEU 512 11.379 -0.025 -0.229 306 HD13 LEU 512 HD13 LEU 512 12.224 1.279 -1.064 307 HD21 LEU 512 HD21 LEU 512 10.883 0.302 2.304 308 HD22 LEU 512 HD22 LEU 512 10.213 1.890 1.920 309 HD23 LEU 512 HD23 LEU 512 11.527 1.744 3.088 310 H LYS 513 HN LYS 513 14.534 -1.133 3.550 311 HA LYS 513 HA LYS 513 17.456 -0.899 3.548 312 HB2 LYS 513 HB2 LYS 513 16.281 -1.625 5.623 313 HB3 LYS 513 HB1 LYS 513 15.680 -3.034 4.760 314 HG2 LYS 513 HG2 LYS 513 17.606 -3.578 6.156 315 HG3 LYS 513 HG1 LYS 513 17.958 -3.830 4.443 316 HD2 LYS 513 HD2 LYS 513 19.119 -1.702 4.345 317 HD3 LYS 513 HD1 LYS 513 18.720 -1.385 6.032 318 HE2 LYS 513 HE2 LYS 513 20.025 -3.341 6.703 319 HE3 LYS 513 HE1 LYS 513 20.414 -3.659 5.014 320 HZ1 LYS 513 HZ1 LYS 513 21.211 -1.273 6.589 321 HZ2 LYS 513 HZ2 LYS 513 21.501 -1.470 4.935 322 HZ3 LYS 513 HZ3 LYS 513 22.227 -2.513 6.047 323 H GLY 514 HN GLY 514 14.789 -2.745 2.231 324 HA2 GLY 514 HA2 GLY 514 16.364 -4.727 0.928 325 HA3 GLY 514 HA1 GLY 514 14.686 -4.339 0.579 326 H LYS 515 HN LYS 515 15.874 -4.961 -1.572 327 HA LYS 515 HA LYS 515 17.132 -2.600 -2.774 328 HB2 LYS 515 HB2 LYS 515 16.983 -5.453 -3.771 329 HB3 LYS 515 HB1 LYS 515 17.791 -4.138 -4.601 330 HG2 LYS 515 HG2 LYS 515 19.500 -5.323 -3.545 331 HG3 LYS 515 HG1 LYS 515 19.239 -3.914 -2.523 332 HD2 LYS 515 HD2 LYS 515 19.498 -5.843 -1.118 333 HD3 LYS 515 HD1 LYS 515 17.817 -5.319 -1.044 334 HE2 LYS 515 HE2 LYS 515 17.956 -7.740 -1.207 335 HE3 LYS 515 HE1 LYS 515 17.204 -7.064 -2.649 336 HZ1 LYS 515 HZ1 LYS 515 19.285 -7.315 -3.828 337 HZ2 LYS 515 HZ2 LYS 515 18.814 -8.802 -3.174 338 HZ3 LYS 515 HZ3 LYS 515 20.044 -7.908 -2.437 339 H TYR 516 HN TYR 516 15.836 -1.287 -3.891 340 HA TYR 516 HA TYR 516 13.683 -2.445 -5.505 341 HB2 TYR 516 HB2 TYR 516 13.271 -0.069 -3.681 342 HB3 TYR 516 HB1 TYR 516 12.061 -0.819 -4.715 343 HD1 TYR 516 HD1 TYR 516 11.273 -3.135 -4.168 344 HD2 TYR 516 HD2 TYR 516 13.724 -0.873 -1.535 345 HE1 TYR 516 HE1 TYR 516 10.678 -4.642 -2.325 346 HE2 TYR 516 HE2 TYR 516 13.135 -2.372 0.314 347 HH TYR 516 HH TYR 516 11.709 -5.351 -0.169 348 H LYS 517 HN LYS 517 12.841 -0.962 -7.094 349 HA LYS 517 HA LYS 517 14.849 0.845 -8.157 350 HB2 LYS 517 HB2 LYS 517 12.094 0.109 -9.181 351 HB3 LYS 517 HB1 LYS 517 13.298 1.035 -10.064 352 HG2 LYS 517 HG2 LYS 517 14.741 -0.856 -10.223 353 HG3 LYS 517 HG1 LYS 517 13.727 -1.789 -9.125 354 HD2 LYS 517 HD2 LYS 517 13.364 -2.463 -11.442 355 HD3 LYS 517 HD1 LYS 517 11.908 -1.741 -10.756 356 HE2 LYS 517 HE2 LYS 517 12.250 -0.928 -13.005 357 HE3 LYS 517 HE1 LYS 517 12.471 0.387 -11.853 358 HZ1 LYS 517 HZ1 LYS 517 14.859 0.129 -12.058 359 HZ2 LYS 517 HZ2 LYS 517 14.168 0.391 -13.577 360 HZ3 LYS 517 HZ3 LYS 517 14.659 -1.163 -13.131 361 H ASP 518 HN ASP 518 14.464 3.093 -8.531 362 HA ASP 518 HA ASP 518 12.858 4.301 -6.457 363 HB2 ASP 518 HB2 ASP 518 13.908 6.384 -7.034 364 HB3 ASP 518 HB1 ASP 518 15.150 5.139 -7.059 365 H ASN 519 HN ASN 519 11.580 2.908 -8.582 366 HA ASN 519 HA ASN 519 9.385 4.626 -9.004 367 HB2 ASN 519 HB2 ASN 519 11.048 5.306 -10.868 368 HB3 ASN 519 HB1 ASN 519 10.700 3.732 -11.572 369 HD21 ASN 519 HD21 ASN 519 10.182 6.344 -12.674 370 HD22 ASN 519 HD22 ASN 519 8.475 6.453 -12.930 371 H GLU 520 HN GLU 520 9.821 2.257 -7.729 372 HA GLU 520 HA GLU 520 8.876 0.106 -9.437 373 HB2 GLU 520 HB2 GLU 520 10.678 -0.395 -7.862 374 HB3 GLU 520 HB1 GLU 520 9.693 0.164 -6.522 375 HG2 GLU 520 HG2 GLU 520 9.744 -2.245 -6.574 376 HG3 GLU 520 HG1 GLU 520 8.117 -1.667 -6.926 377 H ALA 521 HN ALA 521 6.946 -0.962 -9.084 378 HA ALA 521 HA ALA 521 5.120 0.002 -7.042 379 HB1 ALA 521 HB1 ALA 521 4.316 0.096 -9.945 380 HB2 ALA 521 HB2 ALA 521 4.717 1.504 -8.963 381 HB3 ALA 521 HB3 ALA 521 3.318 0.515 -8.551 382 H ILE 522 HN ILE 522 4.500 -1.715 -6.102 383 HA ILE 522 HA ILE 522 4.301 -4.229 -7.572 384 HB ILE 522 HB ILE 522 4.297 -3.618 -4.618 385 HG12 ILE 522 HG12 ILE 522 6.344 -5.065 -6.308 386 HG13 ILE 522 HG11 ILE 522 6.453 -3.374 -5.849 387 HG21 ILE 522 HG21 ILE 522 4.409 -6.042 -4.278 388 HG22 ILE 522 HG22 ILE 522 4.229 -6.288 -6.014 389 HG23 ILE 522 HG23 ILE 522 2.910 -5.576 -5.085 390 HD11 ILE 522 HD11 ILE 522 6.673 -3.934 -3.547 391 HD12 ILE 522 HD12 ILE 522 7.817 -4.923 -4.459 392 HD13 ILE 522 HD13 ILE 522 6.308 -5.626 -3.874 393 H GLU 523 HN GLU 523 2.378 -4.418 -8.524 394 HA GLU 523 HA GLU 523 -0.078 -3.387 -7.497 395 HB2 GLU 523 HB2 GLU 523 0.076 -3.628 -9.827 396 HB3 GLU 523 HB1 GLU 523 0.656 -5.277 -9.723 397 HG2 GLU 523 HG2 GLU 523 -1.664 -5.759 -8.668 398 HG3 GLU 523 HG1 GLU 523 -2.113 -4.199 -9.365 399 H PHE 524 HN PHE 524 -1.357 -4.251 -6.002 400 HA PHE 524 HA PHE 524 -1.459 -7.147 -5.646 401 HB2 PHE 524 HB2 PHE 524 -1.297 -6.968 -3.198 402 HB3 PHE 524 HB1 PHE 524 0.173 -6.385 -3.970 403 HD1 PHE 524 HD2 PHE 524 0.575 -3.928 -4.120 404 HD2 PHE 524 HD1 PHE 524 -2.589 -5.575 -1.799 405 HE1 PHE 524 HE2 PHE 524 0.378 -1.810 -2.890 406 HE2 PHE 524 HE1 PHE 524 -2.788 -3.457 -0.564 407 HZ PHE 524 HZ PHE 524 -1.278 -1.617 -1.031 408 H SER 525 HN SER 525 -3.429 -7.886 -4.829 409 HA SER 525 HA SER 525 -5.612 -5.964 -4.983 410 HB2 SER 525 HB2 SER 525 -5.659 -8.976 -4.625 411 HB3 SER 525 HB1 SER 525 -7.068 -7.950 -4.903 412 HG SER 525 HG SER 525 -4.867 -8.031 -6.682 413 H PHE 526 HN PHE 526 -6.902 -5.384 -3.229 414 HA PHE 526 HA PHE 526 -5.942 -6.411 -0.638 415 HB2 PHE 526 HB2 PHE 526 -5.235 -4.012 -1.220 416 HB3 PHE 526 HB1 PHE 526 -6.938 -3.597 -1.052 417 HD1 PHE 526 HD2 PHE 526 -3.966 -4.826 0.723 418 HD2 PHE 526 HD1 PHE 526 -7.954 -3.412 1.087 419 HE1 PHE 526 HE2 PHE 526 -3.649 -4.576 3.146 420 HE2 PHE 526 HE1 PHE 526 -7.647 -3.155 3.515 421 HZ PHE 526 HZ PHE 526 -5.485 -3.728 4.554 422 H ASP 527 HN ASP 527 -7.496 -7.662 0.092 423 HA ASP 527 HA ASP 527 -10.276 -6.939 -0.236 424 HB2 ASP 527 HB2 ASP 527 -9.352 -9.326 -0.161 425 HB3 ASP 527 HB1 ASP 527 -9.190 -9.085 1.574 426 H LEU 528 HN LEU 528 -11.251 -5.556 1.035 427 HA LEU 528 HA LEU 528 -9.819 -4.314 3.163 428 HB2 LEU 528 HB2 LEU 528 -12.646 -3.955 2.179 429 HB3 LEU 528 HB1 LEU 528 -11.838 -2.901 3.319 430 HG LEU 528 HG LEU 528 -10.828 -3.369 0.517 431 HD11 LEU 528 HD11 LEU 528 -11.812 -1.215 -0.044 432 HD12 LEU 528 HD12 LEU 528 -12.526 -1.113 1.565 433 HD13 LEU 528 HD13 LEU 528 -13.054 -2.370 0.445 434 HD21 LEU 528 HD21 LEU 528 -10.247 -1.128 2.434 435 HD22 LEU 528 HD22 LEU 528 -9.453 -1.469 0.894 436 HD23 LEU 528 HD23 LEU 528 -9.231 -2.558 2.263 437 H GLU 529 HN GLU 529 -11.721 -7.054 3.063 438 HA GLU 529 HA GLU 529 -12.432 -6.798 5.910 439 HB2 GLU 529 HB2 GLU 529 -13.663 -8.462 3.712 440 HB3 GLU 529 HB1 GLU 529 -14.068 -8.648 5.413 441 HG2 GLU 529 HG2 GLU 529 -14.366 -6.066 3.906 442 HG3 GLU 529 HG1 GLU 529 -15.653 -7.259 4.069 443 H ARG 530 HN ARG 530 -11.184 -9.007 3.447 444 HA ARG 530 HA ARG 530 -10.428 -11.005 5.386 445 HB2 ARG 530 HB2 ARG 530 -11.005 -12.065 3.456 446 HB3 ARG 530 HB1 ARG 530 -10.472 -10.734 2.440 447 HG2 ARG 530 HG2 ARG 530 -8.132 -11.396 2.927 448 HG3 ARG 530 HG1 ARG 530 -8.765 -12.822 3.751 449 HD2 ARG 530 HD2 ARG 530 -9.612 -13.727 1.764 450 HD3 ARG 530 HD1 ARG 530 -9.527 -12.181 0.920 451 HE ARG 530 HE ARG 530 -6.937 -12.774 1.587 452 HH11 ARG 530 HH11 ARG 530 -9.448 -14.390 -0.236 453 HH12 ARG 530 HH12 ARG 530 -8.338 -15.158 -1.322 454 HH21 ARG 530 HH21 ARG 530 -5.474 -13.783 0.165 455 HH22 ARG 530 HH22 ARG 530 -6.075 -14.807 -1.101 456 H ASP 531 HN ASP 531 -8.703 -8.733 3.241 457 HA ASP 531 HA ASP 531 -6.172 -9.812 4.148 458 HB2 ASP 531 HB2 ASP 531 -6.904 -7.802 2.037 459 HB3 ASP 531 HB1 ASP 531 -5.235 -8.032 2.548 460 H VAL 532 HN VAL 532 -4.647 -8.775 5.274 461 HA VAL 532 HA VAL 532 -5.431 -6.259 6.578 462 HB VAL 532 HB VAL 532 -3.767 -8.569 7.603 463 HG11 VAL 532 HG11 VAL 532 -2.715 -6.411 8.233 464 HG12 VAL 532 HG12 VAL 532 -3.327 -7.318 9.616 465 HG13 VAL 532 HG13 VAL 532 -4.230 -5.936 9.000 466 HG21 VAL 532 HG21 VAL 532 -6.153 -8.872 7.802 467 HG22 VAL 532 HG22 VAL 532 -6.318 -7.286 8.556 468 HG23 VAL 532 HG23 VAL 532 -5.460 -8.578 9.399 469 HA PRO 533 HA PRO 533 -2.227 -4.173 4.387 470 HB2 PRO 533 HB2 PRO 533 -1.510 -2.967 7.008 471 HB3 PRO 533 HB1 PRO 533 -1.851 -2.182 5.469 472 HG2 PRO 533 HG2 PRO 533 -3.628 -2.233 7.485 473 HG3 PRO 533 HG1 PRO 533 -4.117 -2.246 5.801 474 HD2 PRO 533 HD2 PRO 533 -4.170 -4.402 7.812 475 HD3 PRO 533 HD1 PRO 533 -5.166 -4.203 6.364 476 H GLU 534 HN GLU 534 -1.178 -5.148 7.672 477 HA GLU 534 HA GLU 534 1.523 -5.492 6.940 478 HB2 GLU 534 HB2 GLU 534 -0.073 -6.493 9.289 479 HB3 GLU 534 HB1 GLU 534 1.646 -6.795 9.107 480 HG2 GLU 534 HG2 GLU 534 1.979 -4.321 8.965 481 HG3 GLU 534 HG1 GLU 534 0.282 -4.142 9.391 482 H ASP 535 HN ASP 535 -1.244 -7.579 6.738 483 HA ASP 535 HA ASP 535 0.188 -10.037 6.541 484 HB2 ASP 535 HB2 ASP 535 -2.219 -9.905 7.140 485 HB3 ASP 535 HB1 ASP 535 -2.573 -9.366 5.504 486 H VAL 536 HN VAL 536 -1.165 -7.751 4.221 487 HA VAL 536 HA VAL 536 -0.442 -9.119 1.877 488 HB VAL 536 HB VAL 536 -0.733 -6.143 2.344 489 HG11 VAL 536 HG11 VAL 536 0.608 -6.614 0.344 490 HG12 VAL 536 HG12 VAL 536 -0.971 -5.952 -0.079 491 HG13 VAL 536 HG13 VAL 536 -0.662 -7.680 -0.257 492 HG21 VAL 536 HG21 VAL 536 -2.653 -8.176 1.213 493 HG22 VAL 536 HG22 VAL 536 -2.945 -6.443 1.359 494 HG23 VAL 536 HG23 VAL 536 -2.756 -7.431 2.811 495 H ALA 537 HN ALA 537 1.290 -6.731 3.839 496 HA ALA 537 HA ALA 537 3.571 -6.581 2.192 497 HB1 ALA 537 HB1 ALA 537 4.683 -5.543 4.055 498 HB2 ALA 537 HB2 ALA 537 3.459 -6.153 5.172 499 HB3 ALA 537 HB3 ALA 537 3.026 -4.942 3.964 500 H GLN 538 HN GLN 538 2.578 -8.873 4.656 501 HA GLN 538 HA GLN 538 5.041 -10.247 4.909 502 HB2 GLN 538 HB2 GLN 538 2.183 -11.122 5.301 503 HB3 GLN 538 HB1 GLN 538 3.535 -12.218 5.538 504 HG2 GLN 538 HG2 GLN 538 3.154 -9.621 6.991 505 HG3 GLN 538 HG1 GLN 538 2.718 -11.205 7.624 506 HE21 GLN 538 HE21 GLN 538 5.031 -12.526 6.458 507 HE22 GLN 538 HE22 GLN 538 6.387 -12.048 7.416 508 H GLU 539 HN GLU 539 2.232 -10.744 2.806 509 HA GLU 539 HA GLU 539 3.209 -12.892 1.302 510 HB2 GLU 539 HB2 GLU 539 1.586 -10.598 0.177 511 HB3 GLU 539 HB1 GLU 539 1.614 -12.260 -0.389 512 HG2 GLU 539 HG2 GLU 539 0.608 -11.496 2.332 513 HG3 GLU 539 HG1 GLU 539 -0.422 -11.521 0.905 514 H MET 540 HN MET 540 3.546 -9.414 0.861 515 HA MET 540 HA MET 540 5.052 -9.332 -1.451 516 HB2 MET 540 HB2 MET 540 5.075 -7.564 0.973 517 HB3 MET 540 HB1 MET 540 5.993 -7.204 -0.485 518 HG2 MET 540 HG2 MET 540 3.950 -7.189 -1.787 519 HG3 MET 540 HG1 MET 540 3.019 -7.579 -0.342 520 HE1 MET 540 HE1 MET 540 1.562 -5.462 -1.225 521 HE2 MET 540 HE2 MET 540 2.764 -5.187 -2.483 522 HE3 MET 540 HE3 MET 540 2.253 -3.853 -1.444 523 H VAL 541 HN VAL 541 6.154 -9.639 1.902 524 HA VAL 541 HA VAL 541 8.916 -9.718 1.335 525 HB VAL 541 HB VAL 541 7.416 -10.887 3.690 526 HG11 VAL 541 HG11 VAL 541 9.585 -10.788 4.866 527 HG12 VAL 541 HG12 VAL 541 10.365 -10.340 3.347 528 HG13 VAL 541 HG13 VAL 541 9.602 -11.921 3.513 529 HG21 VAL 541 HG21 VAL 541 7.118 -8.476 3.420 530 HG22 VAL 541 HG22 VAL 541 8.868 -8.262 3.384 531 HG23 VAL 541 HG23 VAL 541 8.081 -8.850 4.850 532 H GLU 542 HN GLU 542 6.538 -12.330 1.843 533 HA GLU 542 HA GLU 542 8.453 -14.405 1.674 534 HB2 GLU 542 HB2 GLU 542 5.464 -14.473 1.271 535 HB3 GLU 542 HB1 GLU 542 6.488 -15.896 1.440 536 HG2 GLU 542 HG2 GLU 542 7.193 -14.981 3.677 537 HG3 GLU 542 HG1 GLU 542 5.926 -13.774 3.491 538 H SER 543 HN SER 543 6.419 -12.851 -0.747 539 HA SER 543 HA SER 543 6.952 -14.801 -2.757 540 HB2 SER 543 HB2 SER 543 5.860 -11.993 -3.004 541 HB3 SER 543 HB1 SER 543 5.851 -13.204 -4.287 542 HG SER 543 HG SER 543 4.788 -14.127 -1.943 543 H GLY 544 HN GLY 544 8.818 -12.265 -1.505 544 HA2 GLY 544 HA2 GLY 544 11.104 -12.051 -2.095 545 HA3 GLY 544 HA1 GLY 544 10.723 -12.664 -3.694 546 H TYR 545 HN TYR 545 8.583 -10.263 -2.553 547 HA TYR 545 HA TYR 545 9.706 -8.340 -4.435 548 HB2 TYR 545 HB2 TYR 545 7.127 -8.394 -2.870 549 HB3 TYR 545 HB1 TYR 545 7.625 -7.034 -3.861 550 HD1 TYR 545 HD2 TYR 545 8.203 -7.633 -6.362 551 HD2 TYR 545 HD1 TYR 545 5.790 -10.021 -3.803 552 HE1 TYR 545 HE2 TYR 545 7.160 -8.674 -8.330 553 HE2 TYR 545 HE1 TYR 545 4.741 -11.072 -5.763 554 HH TYR 545 HH TYR 545 4.335 -10.504 -8.157 555 H VAL 546 HN VAL 546 8.691 -8.461 -1.044 556 HA VAL 546 HA VAL 546 10.196 -5.985 -0.558 557 HB VAL 546 HB VAL 546 7.818 -7.170 0.885 558 HG11 VAL 546 HG11 VAL 546 9.419 -6.207 2.511 559 HG12 VAL 546 HG12 VAL 546 7.889 -5.337 2.437 560 HG13 VAL 546 HG13 VAL 546 9.320 -4.670 1.650 561 HG21 VAL 546 HG21 VAL 546 8.181 -4.521 -0.509 562 HG22 VAL 546 HG22 VAL 546 6.689 -5.154 0.188 563 HG23 VAL 546 HG23 VAL 546 7.406 -5.935 -1.220 564 H CYS 547 HN CYS 547 11.473 -5.811 1.324 565 HA CYS 547 HA CYS 547 12.611 -8.329 2.255 566 HB2 CYS 547 HB2 CYS 547 14.154 -6.557 1.535 567 HB3 CYS 547 HB1 CYS 547 13.445 -5.447 2.703 568 HG CYS 547 HG CYS 547 16.037 -6.392 3.481 569 H GLU 548 HN GLU 548 12.619 -8.927 4.410 570 HA GLU 548 HA GLU 548 10.262 -8.340 5.804 571 HB2 GLU 548 HB2 GLU 548 11.283 -9.709 7.643 572 HB3 GLU 548 HB1 GLU 548 11.194 -10.489 6.080 573 HG2 GLU 548 HG2 GLU 548 13.281 -11.051 7.036 574 HG3 GLU 548 HG1 GLU 548 13.593 -9.916 5.731 575 H GLY 549 HN GLY 549 13.219 -6.661 5.771 576 HA2 GLY 549 HA2 GLY 549 12.949 -5.521 8.414 577 HA3 GLY 549 HA1 GLY 549 14.118 -5.055 7.187 578 H ASP 550 HN ASP 550 11.568 -4.884 5.365 579 HA ASP 550 HA ASP 550 10.906 -2.134 6.192 580 HB2 ASP 550 HB2 ASP 550 11.048 -3.351 3.427 581 HB3 ASP 550 HB1 ASP 550 10.420 -1.746 3.763 582 H HIS 551 HN HIS 551 9.645 -4.891 6.690 583 HA HIS 551 HA HIS 551 7.230 -5.161 5.325 584 HB2 HIS 551 HB2 HIS 551 7.932 -6.979 6.674 585 HB3 HIS 551 HB1 HIS 551 8.101 -5.970 8.102 586 HD1 HIS 551 HD1 HIS 551 6.079 -5.720 9.602 587 HD2 HIS 551 HD2 HIS 551 5.222 -7.671 6.033 588 HE1 HIS 551 HE1 HIS 551 3.708 -6.516 9.823 589 HE2 HIS 551 HE2 HIS 551 3.294 -7.874 7.740 590 H LYS 552 HN LYS 552 7.896 -3.396 8.356 591 HA LYS 552 HA LYS 552 5.213 -2.620 8.814 592 HB2 LYS 552 HB2 LYS 552 7.759 -1.279 9.732 593 HB3 LYS 552 HB1 LYS 552 6.156 -0.966 10.378 594 HG2 LYS 552 HG2 LYS 552 6.028 -3.311 11.124 595 HG3 LYS 552 HG1 LYS 552 7.675 -3.558 10.544 596 HD2 LYS 552 HD2 LYS 552 6.819 -1.612 12.685 597 HD3 LYS 552 HD1 LYS 552 7.641 -3.148 12.952 598 HE2 LYS 552 HE2 LYS 552 8.742 -0.763 11.467 599 HE3 LYS 552 HE1 LYS 552 9.210 -1.294 13.079 600 HZ1 LYS 552 HZ1 LYS 552 9.643 -2.755 10.537 601 HZ2 LYS 552 HZ2 LYS 552 9.971 -3.395 12.065 602 HZ3 LYS 552 HZ3 LYS 552 10.824 -2.044 11.513 603 H THR 553 HN THR 553 7.887 -1.091 7.133 604 HA THR 553 HA THR 553 6.724 1.390 6.593 605 HB THR 553 HB THR 553 8.712 -0.180 4.942 606 HG1 THR 553 HG1 THR 553 10.248 0.814 6.206 607 HG21 THR 553 HG21 THR 553 7.772 1.681 3.677 608 HG22 THR 553 HG22 THR 553 9.446 2.014 4.118 609 HG23 THR 553 HG23 THR 553 8.131 2.783 5.006 610 H MET 554 HN MET 554 6.793 -1.581 4.643 611 HA MET 554 HA MET 554 5.351 -0.549 2.456 612 HB2 MET 554 HB2 MET 554 5.624 -3.395 3.422 613 HB3 MET 554 HB1 MET 554 5.017 -2.922 1.845 614 HG2 MET 554 HG2 MET 554 7.779 -2.462 2.923 615 HG3 MET 554 HG1 MET 554 7.303 -3.606 1.670 616 HE1 MET 554 HE1 MET 554 9.422 -0.856 -0.192 617 HE2 MET 554 HE2 MET 554 9.328 -2.559 0.257 618 HE3 MET 554 HE3 MET 554 9.641 -1.337 1.491 619 H ALA 555 HN ALA 555 4.352 -2.427 5.274 620 HA ALA 555 HA ALA 555 1.640 -2.703 4.593 621 HB1 ALA 555 HB1 ALA 555 1.300 -3.295 6.912 622 HB2 ALA 555 HB2 ALA 555 2.843 -2.564 7.359 623 HB3 ALA 555 HB3 ALA 555 2.810 -4.008 6.343 624 H LYS 556 HN LYS 556 3.383 -0.178 6.338 625 HA LYS 556 HA LYS 556 1.116 1.256 7.212 626 HB2 LYS 556 HB2 LYS 556 3.695 1.468 7.794 627 HB3 LYS 556 HB1 LYS 556 3.660 2.670 6.514 628 HG2 LYS 556 HG2 LYS 556 1.937 2.707 8.988 629 HG3 LYS 556 HG1 LYS 556 3.394 3.664 8.743 630 HD2 LYS 556 HD2 LYS 556 0.936 3.828 7.001 631 HD3 LYS 556 HD1 LYS 556 1.267 4.908 8.355 632 HE2 LYS 556 HE2 LYS 556 3.057 4.553 5.952 633 HE3 LYS 556 HE1 LYS 556 1.893 5.861 6.154 634 HZ1 LYS 556 HZ1 LYS 556 4.128 5.331 8.031 635 HZ2 LYS 556 HZ2 LYS 556 3.096 6.671 8.026 636 HZ3 LYS 556 HZ3 LYS 556 4.202 6.450 6.765 637 H ALA 557 HN ALA 557 3.100 1.406 4.289 638 HA ALA 557 HA ALA 557 1.845 3.562 3.025 639 HB1 ALA 557 HB1 ALA 557 2.728 2.664 0.952 640 HB2 ALA 557 HB2 ALA 557 2.951 1.080 1.695 641 HB3 ALA 557 HB3 ALA 557 3.930 2.446 2.224 642 H ILE 558 HN ILE 558 1.131 0.115 2.955 643 HA ILE 558 HA ILE 558 -1.087 0.164 1.247 644 HB ILE 558 HB ILE 558 -0.572 -1.702 3.571 645 HG12 ILE 558 HG12 ILE 558 0.282 -1.944 0.684 646 HG13 ILE 558 HG11 ILE 558 1.340 -1.535 2.017 647 HG21 ILE 558 HG21 ILE 558 -2.215 -2.044 1.076 648 HG22 ILE 558 HG22 ILE 558 -2.823 -1.894 2.725 649 HG23 ILE 558 HG23 ILE 558 -1.876 -3.306 2.257 650 HD11 ILE 558 HD11 ILE 558 0.883 -3.724 3.019 651 HD12 ILE 558 HD12 ILE 558 1.609 -3.842 1.418 652 HD13 ILE 558 HD13 ILE 558 -0.119 -4.127 1.625 653 H LYS 559 HN LYS 559 -0.876 0.253 4.771 654 HA LYS 559 HA LYS 559 -3.621 0.372 5.320 655 HB2 LYS 559 HB2 LYS 559 -1.459 0.013 6.814 656 HB3 LYS 559 HB1 LYS 559 -1.655 1.736 7.106 657 HG2 LYS 559 HG2 LYS 559 -3.655 -0.431 7.677 658 HG3 LYS 559 HG1 LYS 559 -2.696 0.459 8.851 659 HD2 LYS 559 HD2 LYS 559 -3.909 2.436 8.497 660 HD3 LYS 559 HD1 LYS 559 -4.613 1.831 6.994 661 HE2 LYS 559 HE2 LYS 559 -6.292 1.745 8.702 662 HE3 LYS 559 HE1 LYS 559 -5.798 0.097 8.308 663 HZ1 LYS 559 HZ1 LYS 559 -5.993 0.388 10.684 664 HZ2 LYS 559 HZ2 LYS 559 -4.892 1.672 10.662 665 HZ3 LYS 559 HZ3 LYS 559 -4.376 0.109 10.275 666 H ASP 560 HN ASP 560 -1.190 2.939 4.991 667 HA ASP 560 HA ASP 560 -2.732 5.127 5.682 668 HB2 ASP 560 HB2 ASP 560 -0.311 5.216 5.290 669 HB3 ASP 560 HB1 ASP 560 -0.592 5.011 3.568 670 H ARG 561 HN ARG 561 -2.503 3.512 2.538 671 HA ARG 561 HA ARG 561 -4.209 5.376 1.214 672 HB2 ARG 561 HB2 ARG 561 -2.606 3.973 -0.022 673 HB3 ARG 561 HB1 ARG 561 -3.496 2.538 0.452 674 HG2 ARG 561 HG2 ARG 561 -3.953 3.322 -1.870 675 HG3 ARG 561 HG1 ARG 561 -5.380 3.176 -0.843 676 HD2 ARG 561 HD2 ARG 561 -5.385 5.558 -0.444 677 HD3 ARG 561 HD1 ARG 561 -3.900 5.743 -1.375 678 HE ARG 561 HE ARG 561 -6.513 4.969 -2.513 679 HH11 ARG 561 HH11 ARG 561 -3.345 6.430 -2.854 680 HH12 ARG 561 HH12 ARG 561 -3.712 7.169 -4.381 681 HH21 ARG 561 HH21 ARG 561 -6.985 5.930 -4.533 682 HH22 ARG 561 HH22 ARG 561 -5.766 6.859 -5.351 683 H VAL 562 HN VAL 562 -4.670 2.123 2.547 684 HA VAL 562 HA VAL 562 -7.357 1.819 1.866 685 HB VAL 562 HB VAL 562 -5.805 0.658 4.183 686 HG11 VAL 562 HG11 VAL 562 -8.174 0.505 4.634 687 HG12 VAL 562 HG12 VAL 562 -7.538 -1.086 4.216 688 HG13 VAL 562 HG13 VAL 562 -8.461 -0.163 3.028 689 HG21 VAL 562 HG21 VAL 562 -4.940 0.192 1.902 690 HG22 VAL 562 HG22 VAL 562 -6.500 -0.540 1.505 691 HG23 VAL 562 HG23 VAL 562 -5.485 -1.252 2.762 692 H SER 563 HN SER 563 -5.831 3.377 4.613 693 HA SER 563 HA SER 563 -8.086 3.768 6.215 694 HB2 SER 563 HB2 SER 563 -5.712 4.162 6.902 695 HB3 SER 563 HB1 SER 563 -5.717 5.629 5.930 696 HG SER 563 HG SER 563 -7.361 5.059 8.177 697 H LEU 564 HN LEU 564 -6.697 5.838 3.657 698 HA LEU 564 HA LEU 564 -8.721 7.825 3.962 699 HB2 LEU 564 HB2 LEU 564 -7.750 8.905 2.036 700 HB3 LEU 564 HB1 LEU 564 -6.505 8.402 3.148 701 HG LEU 564 HG LEU 564 -6.443 6.312 1.514 702 HD11 LEU 564 HD11 LEU 564 -7.340 8.605 -0.224 703 HD12 LEU 564 HD12 LEU 564 -8.227 7.111 0.074 704 HD13 LEU 564 HD13 LEU 564 -6.700 7.069 -0.805 705 HD21 LEU 564 HD21 LEU 564 -4.571 7.426 0.367 706 HD22 LEU 564 HD22 LEU 564 -4.544 7.705 2.109 707 HD23 LEU 564 HD23 LEU 564 -5.111 8.974 1.021 708 H ILE 565 HN ILE 565 -8.196 5.125 1.804 709 HA ILE 565 HA ILE 565 -10.317 5.393 0.049 710 HB ILE 565 HB ILE 565 -9.040 2.969 1.273 711 HG12 ILE 565 HG12 ILE 565 -8.988 4.095 -1.520 712 HG13 ILE 565 HG11 ILE 565 -7.776 4.407 -0.289 713 HG21 ILE 565 HG21 ILE 565 -11.348 2.351 0.726 714 HG22 ILE 565 HG22 ILE 565 -10.197 1.569 -0.355 715 HG23 ILE 565 HG23 ILE 565 -11.123 2.963 -0.913 716 HD11 ILE 565 HD11 ILE 565 -7.224 2.054 -0.219 717 HD12 ILE 565 HD12 ILE 565 -7.046 2.709 -1.847 718 HD13 ILE 565 HD13 ILE 565 -8.452 1.725 -1.440 719 H LYS 566 HN LYS 566 -10.329 3.675 3.166 720 HA LYS 566 HA LYS 566 -13.134 3.208 3.138 721 HB2 LYS 566 HB2 LYS 566 -11.100 3.098 5.362 722 HB3 LYS 566 HB1 LYS 566 -12.795 2.706 5.603 723 HG2 LYS 566 HG2 LYS 566 -12.609 0.924 3.922 724 HG3 LYS 566 HG1 LYS 566 -10.897 1.306 3.737 725 HD2 LYS 566 HD2 LYS 566 -10.488 0.734 6.059 726 HD3 LYS 566 HD1 LYS 566 -12.209 0.439 6.315 727 HE2 LYS 566 HE2 LYS 566 -12.118 -1.376 4.657 728 HE3 LYS 566 HE1 LYS 566 -10.389 -1.097 4.463 729 HZ1 LYS 566 HZ1 LYS 566 -10.070 -1.679 6.785 730 HZ2 LYS 566 HZ2 LYS 566 -10.835 -2.942 5.959 731 HZ3 LYS 566 HZ3 LYS 566 -11.731 -1.932 6.977 732 H ARG 567 HN ARG 567 -11.135 5.799 4.367 733 HA ARG 567 HA ARG 567 -12.911 7.102 6.062 734 HB2 ARG 567 HB2 ARG 567 -10.391 7.589 4.952 735 HB3 ARG 567 HB1 ARG 567 -11.367 8.965 4.466 736 HG2 ARG 567 HG2 ARG 567 -11.031 7.999 7.296 737 HG3 ARG 567 HG1 ARG 567 -10.136 9.330 6.564 738 HD2 ARG 567 HD2 ARG 567 -12.328 10.440 6.110 739 HD3 ARG 567 HD1 ARG 567 -13.102 9.166 7.053 740 HE ARG 567 HE ARG 567 -11.526 9.956 8.900 741 HH11 ARG 567 HH11 ARG 567 -12.965 12.062 6.489 742 HH12 ARG 567 HH12 ARG 567 -12.786 13.488 7.470 743 HH21 ARG 567 HH21 ARG 567 -11.324 11.825 10.178 744 HH22 ARG 567 HH22 ARG 567 -11.867 13.355 9.558 745 H LYS 568 HN LYS 568 -12.439 7.497 2.562 746 HA LYS 568 HA LYS 568 -14.441 9.473 2.222 747 HB2 LYS 568 HB2 LYS 568 -13.337 7.510 0.203 748 HB3 LYS 568 HB1 LYS 568 -14.258 8.959 -0.175 749 HG2 LYS 568 HG2 LYS 568 -12.487 10.336 0.789 750 HG3 LYS 568 HG1 LYS 568 -11.562 8.881 1.164 751 HD2 LYS 568 HD2 LYS 568 -11.510 8.334 -1.235 752 HD3 LYS 568 HD1 LYS 568 -12.367 9.836 -1.580 753 HE2 LYS 568 HE2 LYS 568 -10.511 11.092 -0.550 754 HE3 LYS 568 HE1 LYS 568 -9.649 9.574 -0.301 755 HZ1 LYS 568 HZ1 LYS 568 -8.879 10.686 -2.287 756 HZ2 LYS 568 HZ2 LYS 568 -10.444 10.714 -2.925 757 HZ3 LYS 568 HZ3 LYS 568 -9.649 9.239 -2.703 758 H ARG 569 HN ARG 569 -14.475 5.980 2.218 759 HA ARG 569 HA ARG 569 -17.090 5.631 1.176 760 HB2 ARG 569 HB2 ARG 569 -15.344 3.873 2.868 761 HB3 ARG 569 HB1 ARG 569 -16.928 3.380 2.289 762 HG2 ARG 569 HG2 ARG 569 -16.038 3.922 -0.046 763 HG3 ARG 569 HG1 ARG 569 -14.440 3.917 0.718 764 HD2 ARG 569 HD2 ARG 569 -14.903 1.683 1.603 765 HD3 ARG 569 HD1 ARG 569 -16.456 1.692 0.779 766 HE ARG 569 HE ARG 569 -14.445 2.146 -1.124 767 HH11 ARG 569 HH11 ARG 569 -15.613 -0.357 1.024 768 HH12 ARG 569 HH12 ARG 569 -15.042 -1.659 0.024 769 HH21 ARG 569 HH21 ARG 569 -13.711 0.428 -2.463 770 HH22 ARG 569 HH22 ARG 569 -13.961 -1.216 -1.931 771 H GLU 570 HN GLU 570 -15.864 6.482 4.292 772 HA GLU 570 HA GLU 570 -18.222 5.757 5.758 773 HB2 GLU 570 HB2 GLU 570 -15.905 7.549 6.491 774 HB3 GLU 570 HB1 GLU 570 -17.168 7.040 7.600 775 HG2 GLU 570 HG2 GLU 570 -15.348 5.142 6.157 776 HG3 GLU 570 HG1 GLU 570 -15.031 5.771 7.772 777 H GLN 571 HN GLN 571 -17.810 7.985 3.466 778 HA GLN 571 HA GLN 571 -18.690 9.992 2.872 779 HB2 GLN 571 HB2 GLN 571 -20.761 9.267 4.958 780 HB3 GLN 571 HB1 GLN 571 -20.934 10.544 3.764 781 HG2 GLN 571 HG2 GLN 571 -20.843 8.904 1.972 782 HG3 GLN 571 HG1 GLN 571 -20.627 7.613 3.154 783 HE21 GLN 571 HE21 GLN 571 -22.730 7.998 1.177 784 HE22 GLN 571 HE22 GLN 571 -24.216 8.035 2.061 785 H ARG 572 HN ARG 572 -16.612 10.071 4.638 786 HA ARG 572 HA ARG 572 -17.338 12.138 6.593 787 HB2 ARG 572 HB2 ARG 572 -16.775 9.832 7.485 788 HB3 ARG 572 HB1 ARG 572 -15.148 10.081 6.874 789 HG2 ARG 572 HG2 ARG 572 -14.847 11.967 8.345 790 HG3 ARG 572 HG1 ARG 572 -16.513 11.817 8.911 791 HD2 ARG 572 HD2 ARG 572 -16.004 9.560 9.747 792 HD3 ARG 572 HD1 ARG 572 -14.333 9.758 9.224 793 HE ARG 572 HE ARG 572 -15.037 11.877 10.931 794 HH11 ARG 572 HH11 ARG 572 -14.393 8.444 11.007 795 HH12 ARG 572 HH12 ARG 572 -13.827 8.452 12.647 796 HH21 ARG 572 HH21 ARG 572 -14.293 11.901 13.094 797 HH22 ARG 572 HH22 ARG 572 -13.772 10.421 13.834 Start of MODEL 6 1 H1 GLY 475 HT1 GLY 475 9.561 5.763 8.473 2 H2 GLY 475 HT2 GLY 475 9.243 7.282 9.136 3 H3 GLY 475 HT3 GLY 475 9.180 5.902 10.111 4 HA2 GLY 475 HA1 GLY 475 11.209 7.143 10.510 5 HA3 GLY 475 HA2 GLY 475 11.528 5.540 9.870 6 H ALA 476 HN ALA 476 10.753 8.755 8.530 7 HA ALA 476 HA ALA 476 12.647 8.244 6.365 8 HB1 ALA 476 HB1 ALA 476 10.684 10.509 6.701 9 HB2 ALA 476 HB2 ALA 476 10.391 9.028 5.790 10 HB3 ALA 476 HB3 ALA 476 11.639 10.156 5.261 11 H MET 477 HN MET 477 12.619 9.669 9.364 12 HA MET 477 HA MET 477 14.108 10.914 10.530 13 HB2 MET 477 HB2 MET 477 15.731 10.991 7.978 14 HB3 MET 477 HB1 MET 477 16.291 11.504 9.563 15 HG2 MET 477 HG2 MET 477 16.131 9.256 10.401 16 HG3 MET 477 HG1 MET 477 15.411 8.707 8.890 17 HE1 MET 477 HE1 MET 477 18.624 10.023 10.668 18 HE2 MET 477 HE2 MET 477 18.434 11.224 9.390 19 HE3 MET 477 HE3 MET 477 19.789 10.098 9.345 20 H ASP 478 HN ASP 478 14.465 12.380 7.308 21 HA ASP 478 HA ASP 478 13.139 14.790 8.369 22 HB2 ASP 478 HB2 ASP 478 14.546 16.169 6.949 23 HB3 ASP 478 HB1 ASP 478 15.556 15.180 7.993 24 HA PRO 479 HA PRO 479 9.809 14.518 5.608 25 HB2 PRO 479 HB2 PRO 479 10.754 17.251 4.807 26 HB3 PRO 479 HB1 PRO 479 9.104 16.692 5.128 27 HG2 PRO 479 HG2 PRO 479 10.407 18.020 6.987 28 HG3 PRO 479 HG1 PRO 479 9.474 16.578 7.434 29 HD2 PRO 479 HD2 PRO 479 12.420 16.927 7.193 30 HD3 PRO 479 HD1 PRO 479 11.491 15.894 8.293 31 H GLN 480 HN GLN 480 10.950 12.905 4.270 32 HA GLN 480 HA GLN 480 11.963 13.781 1.710 33 HB2 GLN 480 HB2 GLN 480 11.105 11.046 2.690 34 HB3 GLN 480 HB1 GLN 480 11.897 11.358 1.156 35 HG2 GLN 480 HG2 GLN 480 13.130 12.018 3.816 36 HG3 GLN 480 HG1 GLN 480 13.364 10.480 2.990 37 HE21 GLN 480 HE21 GLN 480 13.422 11.614 0.345 38 HE22 GLN 480 HE22 GLN 480 14.923 12.458 0.191 39 H GLU 481 HN GLU 481 9.228 11.771 2.693 40 HA GLU 481 HA GLU 481 7.312 13.344 1.252 41 HB2 GLU 481 HB2 GLU 481 8.359 11.864 -0.521 42 HB3 GLU 481 HB1 GLU 481 7.749 10.477 0.370 43 HG2 GLU 481 HG2 GLU 481 6.282 10.982 -1.467 44 HG3 GLU 481 HG1 GLU 481 5.458 11.304 0.058 45 H GLU 482 HN GLU 482 7.632 12.819 3.902 46 HA GLU 482 HA GLU 482 6.846 11.898 5.807 47 HB2 GLU 482 HB2 GLU 482 4.645 12.573 4.914 48 HB3 GLU 482 HB1 GLU 482 4.508 11.027 4.088 49 HG2 GLU 482 HG2 GLU 482 4.539 9.876 6.244 50 HG3 GLU 482 HG1 GLU 482 4.663 11.430 7.066 51 H THR 483 HN THR 483 5.440 9.451 3.678 52 HA THR 483 HA THR 483 7.218 7.444 4.858 53 HB THR 483 HB THR 483 5.610 5.951 3.351 54 HG1 THR 483 HG1 THR 483 4.495 7.799 2.497 55 HG21 THR 483 HG21 THR 483 4.149 5.642 5.281 56 HG22 THR 483 HG22 THR 483 4.753 7.143 5.989 57 HG23 THR 483 HG23 THR 483 5.836 5.766 5.777 58 H GLY 484 HN GLY 484 8.558 6.149 3.573 59 HA2 GLY 484 HA2 GLY 484 9.216 7.220 0.948 60 HA3 GLY 484 HA1 GLY 484 10.062 5.916 1.788 61 H VAL 485 HN VAL 485 6.644 5.964 1.444 62 HA VAL 485 HA VAL 485 6.591 4.123 -0.792 63 HB VAL 485 HB VAL 485 4.982 2.691 0.668 64 HG11 VAL 485 HG11 VAL 485 7.953 2.495 1.083 65 HG12 VAL 485 HG12 VAL 485 7.061 1.872 -0.308 66 HG13 VAL 485 HG13 VAL 485 6.771 1.200 1.298 67 HG21 VAL 485 HG21 VAL 485 6.723 3.959 2.769 68 HG22 VAL 485 HG22 VAL 485 5.654 2.578 3.029 69 HG23 VAL 485 HG23 VAL 485 4.978 4.151 2.592 70 H ARG 486 HN ARG 486 4.470 3.880 -1.628 71 HA ARG 486 HA ARG 486 2.238 5.104 -0.339 72 HB2 ARG 486 HB2 ARG 486 3.423 7.072 -1.261 73 HB3 ARG 486 HB1 ARG 486 3.201 6.421 -2.875 74 HG2 ARG 486 HG2 ARG 486 1.557 8.159 -2.294 75 HG3 ARG 486 HG1 ARG 486 0.802 6.601 -2.649 76 HD2 ARG 486 HD2 ARG 486 0.452 6.146 -0.346 77 HD3 ARG 486 HD1 ARG 486 1.480 7.495 0.141 78 HE ARG 486 HE ARG 486 -0.726 8.408 -1.395 79 HH11 ARG 486 HH11 ARG 486 0.139 7.185 1.760 80 HH12 ARG 486 HH12 ARG 486 -1.135 8.026 2.594 81 HH21 ARG 486 HH21 ARG 486 -2.373 9.566 -0.324 82 HH22 ARG 486 HH22 ARG 486 -2.551 9.417 1.395 83 H VAL 487 HN VAL 487 0.434 4.229 -0.998 84 HA VAL 487 HA VAL 487 0.593 2.379 -3.271 85 HB VAL 487 HB VAL 487 -1.326 2.369 -0.933 86 HG11 VAL 487 HG11 VAL 487 -2.317 1.429 -2.959 87 HG12 VAL 487 HG12 VAL 487 -2.005 0.174 -1.760 88 HG13 VAL 487 HG13 VAL 487 -0.928 0.359 -3.146 89 HG21 VAL 487 HG21 VAL 487 -0.089 0.364 -0.244 90 HG22 VAL 487 HG22 VAL 487 0.925 1.808 -0.260 91 HG23 VAL 487 HG23 VAL 487 1.043 0.630 -1.568 92 H GLU 488 HN GLU 488 -0.853 2.485 -4.907 93 HA GLU 488 HA GLU 488 -2.878 4.622 -4.778 94 HB2 GLU 488 HB2 GLU 488 -1.058 4.058 -7.129 95 HB3 GLU 488 HB1 GLU 488 -2.338 5.262 -7.083 96 HG2 GLU 488 HG2 GLU 488 -1.077 6.282 -5.116 97 HG3 GLU 488 HG1 GLU 488 0.268 5.252 -5.603 98 H LEU 489 HN LEU 489 -4.596 4.410 -6.334 99 HA LEU 489 HA LEU 489 -5.517 1.683 -6.446 100 HB2 LEU 489 HB2 LEU 489 -6.784 4.240 -7.420 101 HB3 LEU 489 HB1 LEU 489 -7.577 2.681 -7.361 102 HG LEU 489 HG LEU 489 -6.554 4.144 -4.926 103 HD11 LEU 489 HD11 LEU 489 -8.890 4.699 -4.511 104 HD12 LEU 489 HD12 LEU 489 -9.364 3.915 -6.021 105 HD13 LEU 489 HD13 LEU 489 -8.363 5.370 -6.055 106 HD21 LEU 489 HD21 LEU 489 -6.734 1.699 -4.696 107 HD22 LEU 489 HD22 LEU 489 -8.418 1.784 -5.203 108 HD23 LEU 489 HD23 LEU 489 -7.909 2.552 -3.696 109 H ALA 490 HN ALA 490 -5.415 0.366 -8.143 110 HA ALA 490 HA ALA 490 -4.192 1.152 -10.599 111 HB1 ALA 490 HB1 ALA 490 -4.657 -1.115 -11.338 112 HB2 ALA 490 HB2 ALA 490 -5.745 -1.358 -9.973 113 HB3 ALA 490 HB3 ALA 490 -4.019 -1.136 -9.694 114 H GLU 491 HN GLU 491 -7.360 1.176 -9.368 115 HA GLU 491 HA GLU 491 -8.407 2.170 -11.893 116 HB2 GLU 491 HB2 GLU 491 -10.471 0.776 -11.596 117 HB3 GLU 491 HB1 GLU 491 -9.035 -0.139 -12.024 118 HG2 GLU 491 HG2 GLU 491 -8.749 -0.746 -9.657 119 HG3 GLU 491 HG1 GLU 491 -10.238 0.115 -9.279 120 H GLU 492 HN GLU 492 -10.742 2.964 -11.460 121 HA GLU 492 HA GLU 492 -10.475 4.827 -9.271 122 HB2 GLU 492 HB2 GLU 492 -12.615 4.497 -11.379 123 HB3 GLU 492 HB1 GLU 492 -12.564 5.807 -10.205 124 HG2 GLU 492 HG2 GLU 492 -10.510 6.630 -11.115 125 HG3 GLU 492 HG1 GLU 492 -10.372 5.232 -12.180 126 H ASP 493 HN ASP 493 -11.078 4.318 -7.296 127 HA ASP 493 HA ASP 493 -12.948 2.143 -6.875 128 HB2 ASP 493 HB2 ASP 493 -10.838 2.134 -5.626 129 HB3 ASP 493 HB1 ASP 493 -11.281 3.665 -4.872 130 H ASP 494 HN ASP 494 -15.035 2.596 -6.756 131 HA ASP 494 HA ASP 494 -16.069 4.173 -4.663 132 HB2 ASP 494 HB2 ASP 494 -15.475 6.058 -6.141 133 HB3 ASP 494 HB1 ASP 494 -16.460 5.358 -7.422 134 H GLY 495 HN GLY 495 -17.340 2.393 -4.217 135 HA2 GLY 495 HA2 GLY 495 -19.908 2.399 -4.956 136 HA3 GLY 495 HA1 GLY 495 -19.181 1.431 -6.230 137 H GLU 496 HN GLU 496 -18.665 -0.616 -5.861 138 HA GLU 496 HA GLU 496 -19.586 -1.707 -3.284 139 HB2 GLU 496 HB2 GLU 496 -19.867 -2.857 -6.062 140 HB3 GLU 496 HB1 GLU 496 -20.414 -3.636 -4.583 141 HG2 GLU 496 HG2 GLU 496 -22.034 -1.912 -4.207 142 HG3 GLU 496 HG1 GLU 496 -21.406 -0.968 -5.557 143 H LYS 497 HN LYS 497 -16.864 -1.095 -4.709 144 HA LYS 497 HA LYS 497 -15.541 -3.566 -4.997 145 HB2 LYS 497 HB2 LYS 497 -14.473 -0.813 -4.434 146 HB3 LYS 497 HB1 LYS 497 -13.511 -2.180 -4.927 147 HG2 LYS 497 HG2 LYS 497 -15.759 -1.120 -6.588 148 HG3 LYS 497 HG1 LYS 497 -14.108 -0.516 -6.724 149 HD2 LYS 497 HD2 LYS 497 -14.970 -3.381 -7.127 150 HD3 LYS 497 HD1 LYS 497 -14.608 -2.230 -8.414 151 HE2 LYS 497 HE2 LYS 497 -12.310 -1.999 -7.391 152 HE3 LYS 497 HE1 LYS 497 -12.719 -3.374 -6.367 153 HZ1 LYS 497 HZ1 LYS 497 -12.450 -3.314 -9.313 154 HZ2 LYS 497 HZ2 LYS 497 -13.204 -4.595 -8.498 155 HZ3 LYS 497 HZ3 LYS 497 -11.578 -4.251 -8.202 156 H ILE 498 HN ILE 498 -15.732 -4.855 -3.255 157 HA ILE 498 HA ILE 498 -14.873 -3.981 -0.630 158 HB ILE 498 HB ILE 498 -15.626 -6.674 -1.739 159 HG12 ILE 498 HG12 ILE 498 -17.392 -4.969 -1.256 160 HG13 ILE 498 HG11 ILE 498 -17.535 -6.460 -0.349 161 HG21 ILE 498 HG21 ILE 498 -15.398 -7.567 0.527 162 HG22 ILE 498 HG22 ILE 498 -14.740 -6.023 1.072 163 HG23 ILE 498 HG23 ILE 498 -13.849 -7.000 -0.096 164 HD11 ILE 498 HD11 ILE 498 -16.479 -5.362 1.584 165 HD12 ILE 498 HD12 ILE 498 -18.001 -4.608 1.092 166 HD13 ILE 498 HD13 ILE 498 -16.465 -3.852 0.665 167 H ALA 499 HN ALA 499 -13.812 -5.985 -3.274 168 HA ALA 499 HA ALA 499 -11.083 -5.947 -2.208 169 HB1 ALA 499 HB1 ALA 499 -11.893 -8.153 -2.640 170 HB2 ALA 499 HB2 ALA 499 -10.654 -7.750 -3.832 171 HB3 ALA 499 HB3 ALA 499 -12.362 -7.701 -4.279 172 H ILE 500 HN ILE 500 -9.726 -4.588 -3.038 173 HA ILE 500 HA ILE 500 -10.399 -3.323 -5.605 174 HB ILE 500 HB ILE 500 -9.284 -1.343 -4.827 175 HG12 ILE 500 HG12 ILE 500 -8.587 -2.976 -2.378 176 HG13 ILE 500 HG11 ILE 500 -7.464 -2.301 -3.551 177 HG21 ILE 500 HG21 ILE 500 -11.101 -2.479 -2.723 178 HG22 ILE 500 HG22 ILE 500 -11.598 -1.620 -4.182 179 HG23 ILE 500 HG23 ILE 500 -10.713 -0.769 -2.917 180 HD11 ILE 500 HD11 ILE 500 -8.046 -0.060 -2.852 181 HD12 ILE 500 HD12 ILE 500 -7.513 -1.025 -1.475 182 HD13 ILE 500 HD13 ILE 500 -9.230 -0.706 -1.718 183 H LYS 501 HN LYS 501 -8.197 -2.133 -6.351 184 HA LYS 501 HA LYS 501 -6.107 -4.198 -6.413 185 HB2 LYS 501 HB2 LYS 501 -7.679 -4.119 -8.448 186 HB3 LYS 501 HB1 LYS 501 -6.899 -2.592 -8.831 187 HG2 LYS 501 HG2 LYS 501 -4.754 -3.704 -9.013 188 HG3 LYS 501 HG1 LYS 501 -5.496 -5.240 -8.552 189 HD2 LYS 501 HD2 LYS 501 -7.024 -4.960 -10.537 190 HD3 LYS 501 HD1 LYS 501 -5.996 -3.617 -11.036 191 HE2 LYS 501 HE2 LYS 501 -4.072 -5.127 -11.111 192 HE3 LYS 501 HE1 LYS 501 -5.111 -6.466 -10.626 193 HZ1 LYS 501 HZ1 LYS 501 -5.454 -4.869 -13.103 194 HZ2 LYS 501 HZ2 LYS 501 -6.360 -6.224 -12.649 195 HZ3 LYS 501 HZ3 LYS 501 -4.722 -6.391 -13.026 196 H LEU 502 HN LEU 502 -4.339 -3.335 -5.584 197 HA LEU 502 HA LEU 502 -3.913 -0.431 -5.860 198 HB2 LEU 502 HB2 LEU 502 -3.117 -2.312 -3.645 199 HB3 LEU 502 HB1 LEU 502 -2.708 -0.612 -3.713 200 HG LEU 502 HG LEU 502 -5.553 -1.586 -3.659 201 HD11 LEU 502 HD11 LEU 502 -4.409 -2.391 -1.669 202 HD12 LEU 502 HD12 LEU 502 -5.526 -1.086 -1.265 203 HD13 LEU 502 HD13 LEU 502 -3.793 -0.770 -1.352 204 HD21 LEU 502 HD21 LEU 502 -5.101 0.704 -4.483 205 HD22 LEU 502 HD22 LEU 502 -4.328 1.071 -2.943 206 HD23 LEU 502 HD23 LEU 502 -6.044 0.672 -2.995 207 H TRP 503 HN TRP 503 -1.794 0.314 -6.202 208 HA TRP 503 HA TRP 503 0.252 -1.764 -6.624 209 HB2 TRP 503 HB2 TRP 503 -0.039 0.918 -7.974 210 HB3 TRP 503 HB1 TRP 503 1.417 -0.057 -8.059 211 HD1 TRP 503 HD1 TRP 503 -2.330 -0.590 -8.841 212 HE1 TRP 503 HE1 TRP 503 -2.519 -1.865 -11.068 213 HE3 TRP 503 HE3 TRP 503 2.623 -1.382 -9.724 214 HZ2 TRP 503 HZ2 TRP 503 -0.784 -3.066 -12.933 215 HZ3 TRP 503 HZ3 TRP 503 3.276 -2.626 -11.737 216 HH2 TRP 503 HH2 TRP 503 1.610 -3.451 -13.307 217 H LEU 504 HN LEU 504 1.680 -1.788 -5.043 218 HA LEU 504 HA LEU 504 2.070 0.442 -3.270 219 HB2 LEU 504 HB2 LEU 504 2.233 -1.791 -2.390 220 HB3 LEU 504 HB1 LEU 504 3.452 -2.210 -3.565 221 HG LEU 504 HG LEU 504 4.962 -0.516 -2.470 222 HD11 LEU 504 HD11 LEU 504 2.812 -0.595 -0.361 223 HD12 LEU 504 HD12 LEU 504 3.292 0.804 -1.324 224 HD13 LEU 504 HD13 LEU 504 4.418 0.107 -0.159 225 HD21 LEU 504 HD21 LEU 504 4.004 -2.825 -0.786 226 HD22 LEU 504 HD22 LEU 504 5.565 -2.014 -0.647 227 HD23 LEU 504 HD23 LEU 504 5.168 -2.924 -2.106 228 H ARG 505 HN ARG 505 3.098 2.157 -4.041 229 HA ARG 505 HA ARG 505 5.402 1.787 -5.799 230 HB2 ARG 505 HB2 ARG 505 3.747 4.220 -5.148 231 HB3 ARG 505 HB1 ARG 505 5.174 4.239 -6.169 232 HG2 ARG 505 HG2 ARG 505 4.031 2.540 -7.626 233 HG3 ARG 505 HG1 ARG 505 2.573 2.837 -6.679 234 HD2 ARG 505 HD2 ARG 505 2.649 5.193 -7.287 235 HD3 ARG 505 HD1 ARG 505 4.127 4.911 -8.204 236 HE ARG 505 HE ARG 505 1.691 3.457 -8.947 237 HH11 ARG 505 HH11 ARG 505 4.085 5.895 -9.687 238 HH12 ARG 505 HH12 ARG 505 3.630 6.024 -11.355 239 HH21 ARG 505 HH21 ARG 505 1.091 3.614 -11.146 240 HH22 ARG 505 HH22 ARG 505 1.920 4.729 -12.185 241 H ILE 506 HN ILE 506 7.398 2.666 -5.310 242 HA ILE 506 HA ILE 506 7.800 3.135 -2.443 243 HB ILE 506 HB ILE 506 9.956 2.555 -4.466 244 HG12 ILE 506 HG12 ILE 506 8.380 0.677 -4.491 245 HG13 ILE 506 HG11 ILE 506 9.876 0.211 -3.690 246 HG21 ILE 506 HG21 ILE 506 10.782 3.536 -2.470 247 HG22 ILE 506 HG22 ILE 506 11.155 1.809 -2.415 248 HG23 ILE 506 HG23 ILE 506 9.812 2.453 -1.471 249 HD11 ILE 506 HD11 ILE 506 8.782 0.539 -1.515 250 HD12 ILE 506 HD12 ILE 506 7.979 -0.678 -2.506 251 HD13 ILE 506 HD13 ILE 506 7.279 0.932 -2.353 252 H GLU 507 HN GLU 507 7.728 5.230 -1.970 253 HA GLU 507 HA GLU 507 8.299 7.301 -3.788 254 HB2 GLU 507 HB2 GLU 507 8.117 7.408 -0.775 255 HB3 GLU 507 HB1 GLU 507 8.034 8.783 -1.861 256 HG2 GLU 507 HG2 GLU 507 6.061 6.554 -1.571 257 HG3 GLU 507 HG1 GLU 507 5.832 8.252 -1.164 258 H ASP 508 HN ASP 508 10.146 5.821 -1.167 259 HA ASP 508 HA ASP 508 12.547 7.092 -2.231 260 HB2 ASP 508 HB2 ASP 508 11.589 8.509 -0.346 261 HB3 ASP 508 HB1 ASP 508 11.970 7.164 0.729 262 H ILE 509 HN ILE 509 13.556 5.290 -2.830 263 HA ILE 509 HA ILE 509 13.369 2.857 -1.375 264 HB ILE 509 HB ILE 509 15.041 2.012 -2.993 265 HG12 ILE 509 HG12 ILE 509 15.266 3.740 -5.010 266 HG13 ILE 509 HG11 ILE 509 15.182 4.897 -3.687 267 HG21 ILE 509 HG21 ILE 509 12.656 3.471 -4.080 268 HG22 ILE 509 HG22 ILE 509 12.744 1.794 -3.535 269 HG23 ILE 509 HG23 ILE 509 13.597 2.294 -4.995 270 HD11 ILE 509 HD11 ILE 509 17.478 4.388 -4.220 271 HD12 ILE 509 HD12 ILE 509 17.177 2.668 -3.979 272 HD13 ILE 509 HD13 ILE 509 17.079 3.780 -2.614 273 H LYS 510 HN LYS 510 15.352 5.591 -0.996 274 HA LYS 510 HA LYS 510 17.763 4.269 -0.297 275 HB2 LYS 510 HB2 LYS 510 16.837 7.090 0.209 276 HB3 LYS 510 HB1 LYS 510 18.446 6.501 0.582 277 HG2 LYS 510 HG2 LYS 510 18.926 7.321 -1.452 278 HG3 LYS 510 HG1 LYS 510 18.280 5.773 -1.999 279 HD2 LYS 510 HD2 LYS 510 17.165 7.334 -3.323 280 HD3 LYS 510 HD1 LYS 510 16.010 6.976 -2.036 281 HE2 LYS 510 HE2 LYS 510 16.840 8.988 -0.823 282 HE3 LYS 510 HE1 LYS 510 17.838 9.369 -2.223 283 HZ1 LYS 510 HZ1 LYS 510 15.725 9.401 -3.536 284 HZ2 LYS 510 HZ2 LYS 510 15.877 10.638 -2.397 285 HZ3 LYS 510 HZ3 LYS 510 14.878 9.311 -2.068 286 H LYS 511 HN LYS 511 14.911 5.226 1.456 287 HA LYS 511 HA LYS 511 16.117 4.896 4.033 288 HB2 LYS 511 HB2 LYS 511 13.311 5.347 3.073 289 HB3 LYS 511 HB1 LYS 511 13.710 5.153 4.759 290 HG2 LYS 511 HG2 LYS 511 14.607 7.329 2.908 291 HG3 LYS 511 HG1 LYS 511 13.542 7.481 4.308 292 HD2 LYS 511 HD2 LYS 511 15.394 6.843 5.774 293 HD3 LYS 511 HD1 LYS 511 16.444 6.687 4.367 294 HE2 LYS 511 HE2 LYS 511 15.990 9.091 3.867 295 HE3 LYS 511 HE1 LYS 511 15.144 9.192 5.408 296 HZ1 LYS 511 HZ1 LYS 511 17.399 9.965 5.632 297 HZ2 LYS 511 HZ2 LYS 511 18.009 8.511 5.024 298 HZ3 LYS 511 HZ3 LYS 511 17.212 8.533 6.516 299 H LEU 512 HN LEU 512 15.137 2.747 1.715 300 HA LEU 512 HA LEU 512 14.179 0.757 3.644 301 HB2 LEU 512 HB2 LEU 512 14.303 0.496 0.652 302 HB3 LEU 512 HB1 LEU 512 13.370 -0.470 1.778 303 HG LEU 512 HG LEU 512 12.877 2.437 1.140 304 HD11 LEU 512 HD11 LEU 512 12.329 1.018 -0.714 305 HD12 LEU 512 HD12 LEU 512 10.848 1.580 0.063 306 HD13 LEU 512 HD13 LEU 512 11.420 -0.065 0.338 307 HD21 LEU 512 HD21 LEU 512 12.238 1.897 3.425 308 HD22 LEU 512 HD22 LEU 512 11.309 0.511 2.852 309 HD23 LEU 512 HD23 LEU 512 10.813 2.148 2.417 310 H LYS 513 HN LYS 513 15.044 -1.449 3.457 311 HA LYS 513 HA LYS 513 17.880 -1.425 2.640 312 HB2 LYS 513 HB2 LYS 513 16.654 -2.854 5.008 313 HB3 LYS 513 HB1 LYS 513 18.329 -3.002 4.497 314 HG2 LYS 513 HG2 LYS 513 16.971 -0.527 5.543 315 HG3 LYS 513 HG1 LYS 513 18.191 -1.500 6.365 316 HD2 LYS 513 HD2 LYS 513 19.784 -0.939 4.544 317 HD3 LYS 513 HD1 LYS 513 18.561 0.124 3.850 318 HE2 LYS 513 HE2 LYS 513 20.052 1.476 5.119 319 HE3 LYS 513 HE1 LYS 513 18.535 1.374 6.010 320 HZ1 LYS 513 HZ1 LYS 513 19.515 -0.288 7.444 321 HZ2 LYS 513 HZ2 LYS 513 20.463 1.109 7.451 322 HZ3 LYS 513 HZ3 LYS 513 20.961 -0.243 6.568 323 H GLY 514 HN GLY 514 16.724 -2.160 0.606 324 HA2 GLY 514 HA2 GLY 514 16.965 -5.037 0.456 325 HA3 GLY 514 HA1 GLY 514 15.337 -4.437 0.172 326 H LYS 515 HN LYS 515 15.217 -5.002 -1.976 327 HA LYS 515 HA LYS 515 17.110 -3.627 -3.764 328 HB2 LYS 515 HB2 LYS 515 15.611 -6.210 -4.209 329 HB3 LYS 515 HB1 LYS 515 16.607 -5.411 -5.410 330 HG2 LYS 515 HG2 LYS 515 17.577 -6.502 -2.777 331 HG3 LYS 515 HG1 LYS 515 17.775 -7.275 -4.349 332 HD2 LYS 515 HD2 LYS 515 18.897 -4.580 -3.573 333 HD3 LYS 515 HD1 LYS 515 19.810 -6.088 -3.625 334 HE2 LYS 515 HE2 LYS 515 18.436 -4.781 -5.974 335 HE3 LYS 515 HE1 LYS 515 20.165 -4.730 -5.636 336 HZ1 LYS 515 HZ1 LYS 515 20.286 -7.100 -5.914 337 HZ2 LYS 515 HZ2 LYS 515 19.567 -6.421 -7.286 338 HZ3 LYS 515 HZ3 LYS 515 18.614 -7.210 -6.137 339 H TYR 516 HN TYR 516 15.803 -1.765 -3.769 340 HA TYR 516 HA TYR 516 13.268 -2.060 -5.245 341 HB2 TYR 516 HB2 TYR 516 13.817 0.114 -3.222 342 HB3 TYR 516 HB1 TYR 516 12.277 -0.307 -3.959 343 HD1 TYR 516 HD1 TYR 516 11.038 -2.284 -3.174 344 HD2 TYR 516 HD2 TYR 516 14.679 -1.070 -1.363 345 HE1 TYR 516 HE1 TYR 516 10.549 -3.728 -1.239 346 HE2 TYR 516 HE2 TYR 516 14.211 -2.502 0.574 347 HH TYR 516 HH TYR 516 12.454 -3.591 1.681 348 H LYS 517 HN LYS 517 12.727 -0.241 -6.618 349 HA LYS 517 HA LYS 517 15.062 1.412 -7.331 350 HB2 LYS 517 HB2 LYS 517 12.955 0.315 -9.208 351 HB3 LYS 517 HB1 LYS 517 14.305 1.342 -9.669 352 HG2 LYS 517 HG2 LYS 517 15.829 -0.476 -8.817 353 HG3 LYS 517 HG1 LYS 517 14.396 -1.496 -8.690 354 HD2 LYS 517 HD2 LYS 517 15.393 -0.169 -11.210 355 HD3 LYS 517 HD1 LYS 517 15.599 -1.869 -10.795 356 HE2 LYS 517 HE2 LYS 517 12.942 -0.486 -11.151 357 HE3 LYS 517 HE1 LYS 517 13.742 -1.459 -12.382 358 HZ1 LYS 517 HZ1 LYS 517 13.672 -3.324 -10.735 359 HZ2 LYS 517 HZ2 LYS 517 12.169 -2.838 -11.328 360 HZ3 LYS 517 HZ3 LYS 517 12.651 -2.371 -9.773 361 H ASP 518 HN ASP 518 14.555 3.493 -8.270 362 HA ASP 518 HA ASP 518 12.379 4.794 -6.916 363 HB2 ASP 518 HB2 ASP 518 13.287 6.862 -7.912 364 HB3 ASP 518 HB1 ASP 518 14.538 5.922 -7.110 365 H ASN 519 HN ASN 519 11.504 2.890 -8.664 366 HA ASN 519 HA ASN 519 9.586 4.243 -10.238 367 HB2 ASN 519 HB2 ASN 519 10.273 3.199 -12.428 368 HB3 ASN 519 HB1 ASN 519 11.349 4.476 -11.876 369 HD21 ASN 519 HD21 ASN 519 13.442 4.004 -11.380 370 HD22 ASN 519 HD22 ASN 519 14.156 2.453 -11.642 371 H GLU 520 HN GLU 520 9.634 2.436 -8.106 372 HA GLU 520 HA GLU 520 9.077 -0.190 -9.295 373 HB2 GLU 520 HB2 GLU 520 10.897 0.163 -7.511 374 HB3 GLU 520 HB1 GLU 520 9.568 0.340 -6.377 375 HG2 GLU 520 HG2 GLU 520 10.361 -1.910 -6.301 376 HG3 GLU 520 HG1 GLU 520 8.764 -1.901 -7.051 377 H ALA 521 HN ALA 521 7.158 -1.110 -9.073 378 HA ALA 521 HA ALA 521 5.277 -0.156 -7.063 379 HB1 ALA 521 HB1 ALA 521 4.790 1.173 -9.088 380 HB2 ALA 521 HB2 ALA 521 3.459 0.104 -8.641 381 HB3 ALA 521 HB3 ALA 521 4.524 -0.324 -9.982 382 H ILE 522 HN ILE 522 3.984 -1.683 -6.291 383 HA ILE 522 HA ILE 522 4.192 -4.362 -7.492 384 HB ILE 522 HB ILE 522 4.125 -3.589 -4.576 385 HG12 ILE 522 HG12 ILE 522 6.254 -5.162 -6.001 386 HG13 ILE 522 HG11 ILE 522 6.281 -3.406 -5.960 387 HG21 ILE 522 HG21 ILE 522 4.178 -6.328 -5.826 388 HG22 ILE 522 HG22 ILE 522 2.817 -5.616 -4.959 389 HG23 ILE 522 HG23 ILE 522 4.316 -5.983 -4.104 390 HD11 ILE 522 HD11 ILE 522 7.672 -4.586 -4.230 391 HD12 ILE 522 HD12 ILE 522 6.153 -5.076 -3.477 392 HD13 ILE 522 HD13 ILE 522 6.553 -3.366 -3.625 393 H GLU 523 HN GLU 523 2.297 -4.686 -8.439 394 HA GLU 523 HA GLU 523 -0.176 -3.546 -7.512 395 HB2 GLU 523 HB2 GLU 523 0.096 -3.764 -9.843 396 HB3 GLU 523 HB1 GLU 523 0.578 -5.446 -9.728 397 HG2 GLU 523 HG2 GLU 523 -1.799 -5.835 -8.814 398 HG3 GLU 523 HG1 GLU 523 -2.145 -4.223 -9.445 399 H PHE 524 HN PHE 524 -1.456 -4.386 -6.007 400 HA PHE 524 HA PHE 524 -1.699 -7.282 -5.736 401 HB2 PHE 524 HB2 PHE 524 -1.534 -7.193 -3.285 402 HB3 PHE 524 HB1 PHE 524 -0.039 -6.653 -4.038 403 HD1 PHE 524 HD2 PHE 524 0.471 -4.187 -4.097 404 HD2 PHE 524 HD1 PHE 524 -2.746 -5.821 -1.841 405 HE1 PHE 524 HE2 PHE 524 0.376 -2.134 -2.753 406 HE2 PHE 524 HE1 PHE 524 -2.837 -3.772 -0.484 407 HZ PHE 524 HZ PHE 524 -1.276 -1.924 -0.941 408 H SER 525 HN SER 525 -3.716 -7.957 -5.125 409 HA SER 525 HA SER 525 -5.816 -5.951 -5.234 410 HB2 SER 525 HB2 SER 525 -6.050 -8.968 -5.035 411 HB3 SER 525 HB1 SER 525 -7.334 -7.838 -5.465 412 HG SER 525 HG SER 525 -6.604 -7.767 -7.438 413 H PHE 526 HN PHE 526 -7.027 -5.299 -3.476 414 HA PHE 526 HA PHE 526 -6.281 -6.571 -0.918 415 HB2 PHE 526 HB2 PHE 526 -5.241 -4.284 -1.353 416 HB3 PHE 526 HB1 PHE 526 -6.871 -3.632 -1.273 417 HD1 PHE 526 HD1 PHE 526 -8.100 -3.606 0.820 418 HD2 PHE 526 HD2 PHE 526 -4.103 -5.040 0.618 419 HE1 PHE 526 HE1 PHE 526 -7.925 -3.445 3.267 420 HE2 PHE 526 HE2 PHE 526 -3.921 -4.885 3.066 421 HZ PHE 526 HZ PHE 526 -5.835 -4.088 4.390 422 H ASP 527 HN ASP 527 -7.978 -7.574 -0.130 423 HA ASP 527 HA ASP 527 -10.674 -6.631 -0.561 424 HB2 ASP 527 HB2 ASP 527 -9.962 -9.069 -0.315 425 HB3 ASP 527 HB1 ASP 527 -9.765 -8.733 1.400 426 H LEU 528 HN LEU 528 -11.448 -4.972 0.539 427 HA LEU 528 HA LEU 528 -10.008 -3.765 2.646 428 HB2 LEU 528 HB2 LEU 528 -12.801 -3.301 1.624 429 HB3 LEU 528 HB1 LEU 528 -11.993 -2.268 2.781 430 HG LEU 528 HG LEU 528 -11.017 -2.785 -0.026 431 HD11 LEU 528 HD11 LEU 528 -12.415 -0.386 1.140 432 HD12 LEU 528 HD12 LEU 528 -13.108 -1.534 -0.007 433 HD13 LEU 528 HD13 LEU 528 -11.754 -0.511 -0.490 434 HD21 LEU 528 HD21 LEU 528 -10.107 -0.794 2.050 435 HD22 LEU 528 HD22 LEU 528 -9.484 -0.947 0.405 436 HD23 LEU 528 HD23 LEU 528 -9.230 -2.246 1.566 437 H GLU 529 HN GLU 529 -12.225 -6.328 2.702 438 HA GLU 529 HA GLU 529 -12.862 -5.812 5.521 439 HB2 GLU 529 HB2 GLU 529 -14.172 -7.666 3.534 440 HB3 GLU 529 HB1 GLU 529 -14.638 -7.522 5.224 441 HG2 GLU 529 HG2 GLU 529 -15.177 -5.147 4.816 442 HG3 GLU 529 HG1 GLU 529 -14.794 -5.386 3.113 443 H ARG 530 HN ARG 530 -11.549 -8.244 3.309 444 HA ARG 530 HA ARG 530 -10.962 -10.036 5.522 445 HB2 ARG 530 HB2 ARG 530 -10.518 -10.266 2.549 446 HB3 ARG 530 HB1 ARG 530 -10.100 -11.508 3.711 447 HG2 ARG 530 HG2 ARG 530 -12.422 -11.755 4.335 448 HG3 ARG 530 HG1 ARG 530 -12.869 -10.450 3.234 449 HD2 ARG 530 HD2 ARG 530 -12.070 -11.746 1.345 450 HD3 ARG 530 HD1 ARG 530 -11.549 -13.035 2.427 451 HE ARG 530 HE ARG 530 -14.195 -12.788 2.966 452 HH11 ARG 530 HH11 ARG 530 -12.383 -13.145 0.004 453 HH12 ARG 530 HH12 ARG 530 -13.600 -14.096 -0.787 454 HH21 ARG 530 HH21 ARG 530 -15.819 -14.032 1.927 455 HH22 ARG 530 HH22 ARG 530 -15.565 -14.581 0.302 456 H ASP 531 HN ASP 531 -9.138 -8.275 3.011 457 HA ASP 531 HA ASP 531 -6.646 -9.354 3.839 458 HB2 ASP 531 HB2 ASP 531 -7.444 -7.224 1.900 459 HB3 ASP 531 HB1 ASP 531 -5.757 -7.363 2.383 460 H VAL 532 HN VAL 532 -4.894 -8.336 4.764 461 HA VAL 532 HA VAL 532 -5.479 -5.956 6.396 462 HB VAL 532 HB VAL 532 -4.075 -8.495 7.267 463 HG11 VAL 532 HG11 VAL 532 -2.861 -6.547 8.103 464 HG12 VAL 532 HG12 VAL 532 -3.683 -7.398 9.411 465 HG13 VAL 532 HG13 VAL 532 -4.358 -5.898 8.775 466 HG21 VAL 532 HG21 VAL 532 -6.492 -8.631 7.377 467 HG22 VAL 532 HG22 VAL 532 -6.558 -7.118 8.279 468 HG23 VAL 532 HG23 VAL 532 -5.816 -8.544 9.004 469 HA PRO 533 HA PRO 533 -2.106 -4.221 4.199 470 HB2 PRO 533 HB2 PRO 533 -1.566 -2.927 6.846 471 HB3 PRO 533 HB1 PRO 533 -1.644 -2.197 5.237 472 HG2 PRO 533 HG2 PRO 533 -3.703 -1.934 6.857 473 HG3 PRO 533 HG1 PRO 533 -3.984 -2.330 5.155 474 HD2 PRO 533 HD2 PRO 533 -4.090 -4.097 7.564 475 HD3 PRO 533 HD1 PRO 533 -5.145 -4.074 6.139 476 H GLU 534 HN GLU 534 -1.261 -5.006 7.578 477 HA GLU 534 HA GLU 534 1.472 -5.434 7.049 478 HB2 GLU 534 HB2 GLU 534 -0.332 -6.160 9.338 479 HB3 GLU 534 HB1 GLU 534 1.362 -6.619 9.321 480 HG2 GLU 534 HG2 GLU 534 2.091 -4.402 9.389 481 HG3 GLU 534 HG1 GLU 534 0.513 -3.782 8.916 482 H ASP 535 HN ASP 535 -1.307 -7.526 6.866 483 HA ASP 535 HA ASP 535 0.102 -9.997 6.812 484 HB2 ASP 535 HB2 ASP 535 -2.342 -9.815 7.243 485 HB3 ASP 535 HB1 ASP 535 -2.578 -9.315 5.575 486 H VAL 536 HN VAL 536 -1.143 -7.823 4.321 487 HA VAL 536 HA VAL 536 -0.325 -9.303 2.080 488 HB VAL 536 HB VAL 536 -0.716 -6.318 2.352 489 HG11 VAL 536 HG11 VAL 536 -0.633 -8.013 -0.140 490 HG12 VAL 536 HG12 VAL 536 0.633 -6.903 0.384 491 HG13 VAL 536 HG13 VAL 536 -0.958 -6.278 -0.064 492 HG21 VAL 536 HG21 VAL 536 -2.704 -7.623 2.917 493 HG22 VAL 536 HG22 VAL 536 -2.583 -8.474 1.374 494 HG23 VAL 536 HG23 VAL 536 -2.923 -6.745 1.401 495 H ALA 537 HN ALA 537 1.315 -6.795 3.958 496 HA ALA 537 HA ALA 537 3.573 -6.586 2.271 497 HB1 ALA 537 HB1 ALA 537 2.943 -4.901 3.971 498 HB2 ALA 537 HB2 ALA 537 4.634 -5.395 4.066 499 HB3 ALA 537 HB3 ALA 537 3.464 -6.024 5.228 500 H GLN 538 HN GLN 538 2.717 -8.859 4.796 501 HA GLN 538 HA GLN 538 5.309 -10.039 5.014 502 HB2 GLN 538 HB2 GLN 538 2.551 -10.871 5.813 503 HB3 GLN 538 HB1 GLN 538 3.822 -12.084 5.764 504 HG2 GLN 538 HG2 GLN 538 3.872 -9.546 7.371 505 HG3 GLN 538 HG1 GLN 538 3.555 -11.163 7.995 506 HE21 GLN 538 HE21 GLN 538 5.571 -12.386 6.240 507 HE22 GLN 538 HE22 GLN 538 7.102 -11.974 6.930 508 H GLU 539 HN GLU 539 2.418 -10.731 3.116 509 HA GLU 539 HA GLU 539 3.344 -12.935 1.672 510 HB2 GLU 539 HB2 GLU 539 1.636 -10.698 0.564 511 HB3 GLU 539 HB1 GLU 539 1.667 -12.372 0.035 512 HG2 GLU 539 HG2 GLU 539 0.708 -11.421 2.721 513 HG3 GLU 539 HG1 GLU 539 -0.323 -11.819 1.351 514 H MET 540 HN MET 540 3.721 -9.485 1.150 515 HA MET 540 HA MET 540 5.065 -9.484 -1.289 516 HB2 MET 540 HB2 MET 540 5.159 -7.620 1.069 517 HB3 MET 540 HB1 MET 540 6.022 -7.295 -0.428 518 HG2 MET 540 HG2 MET 540 3.944 -7.359 -1.666 519 HG3 MET 540 HG1 MET 540 3.064 -7.729 -0.185 520 HE1 MET 540 HE1 MET 540 2.619 -5.406 -2.353 521 HE2 MET 540 HE2 MET 540 2.123 -4.066 -1.314 522 HE3 MET 540 HE3 MET 540 1.503 -5.692 -1.020 523 H VAL 541 HN VAL 541 6.285 -9.922 1.986 524 HA VAL 541 HA VAL 541 9.045 -9.847 1.303 525 HB VAL 541 HB VAL 541 7.707 -11.156 3.683 526 HG11 VAL 541 HG11 VAL 541 9.986 -11.978 3.306 527 HG12 VAL 541 HG12 VAL 541 9.882 -10.998 4.768 528 HG13 VAL 541 HG13 VAL 541 10.582 -10.318 3.300 529 HG21 VAL 541 HG21 VAL 541 7.212 -8.760 3.478 530 HG22 VAL 541 HG22 VAL 541 8.942 -8.416 3.421 531 HG23 VAL 541 HG23 VAL 541 8.227 -9.107 4.879 532 H GLU 542 HN GLU 542 6.635 -12.393 1.565 533 HA GLU 542 HA GLU 542 8.495 -14.528 1.197 534 HB2 GLU 542 HB2 GLU 542 5.493 -14.520 0.895 535 HB3 GLU 542 HB1 GLU 542 6.515 -15.949 1.021 536 HG2 GLU 542 HG2 GLU 542 7.249 -15.058 3.273 537 HG3 GLU 542 HG1 GLU 542 5.944 -13.886 3.123 538 H SER 543 HN SER 543 6.445 -12.606 -0.881 539 HA SER 543 HA SER 543 6.672 -14.318 -3.147 540 HB2 SER 543 HB2 SER 543 5.666 -12.344 -4.355 541 HB3 SER 543 HB1 SER 543 4.741 -12.904 -2.964 542 HG SER 543 HG SER 543 4.830 -10.820 -2.573 543 H GLY 544 HN GLY 544 8.647 -11.862 -1.782 544 HA2 GLY 544 HA2 GLY 544 10.924 -11.611 -2.408 545 HA3 GLY 544 HA1 GLY 544 10.516 -12.171 -4.020 546 H TYR 545 HN TYR 545 8.372 -9.888 -2.690 547 HA TYR 545 HA TYR 545 9.345 -7.859 -4.537 548 HB2 TYR 545 HB2 TYR 545 6.842 -8.145 -2.894 549 HB3 TYR 545 HB1 TYR 545 7.247 -6.641 -3.704 550 HD1 TYR 545 HD2 TYR 545 7.944 -7.038 -6.287 551 HD2 TYR 545 HD1 TYR 545 5.383 -9.538 -3.994 552 HE1 TYR 545 HE2 TYR 545 6.932 -7.886 -8.355 553 HE2 TYR 545 HE1 TYR 545 4.364 -10.399 -6.060 554 HH TYR 545 HH TYR 545 5.730 -9.884 -9.121 555 H VAL 546 HN VAL 546 8.774 -8.324 -1.097 556 HA VAL 546 HA VAL 546 10.224 -5.815 -0.557 557 HB VAL 546 HB VAL 546 7.915 -7.031 0.975 558 HG11 VAL 546 HG11 VAL 546 8.060 -5.194 2.509 559 HG12 VAL 546 HG12 VAL 546 9.418 -4.507 1.618 560 HG13 VAL 546 HG13 VAL 546 9.608 -6.038 2.473 561 HG21 VAL 546 HG21 VAL 546 8.115 -4.386 -0.458 562 HG22 VAL 546 HG22 VAL 546 6.691 -5.048 0.348 563 HG23 VAL 546 HG23 VAL 546 7.324 -5.825 -1.103 564 H CYS 547 HN CYS 547 11.691 -5.825 1.127 565 HA CYS 547 HA CYS 547 12.563 -8.448 2.059 566 HB2 CYS 547 HB2 CYS 547 14.207 -6.769 1.188 567 HB3 CYS 547 HB1 CYS 547 13.801 -5.727 2.545 568 HG CYS 547 HG CYS 547 15.944 -8.226 2.395 569 H GLU 548 HN GLU 548 12.651 -9.004 4.225 570 HA GLU 548 HA GLU 548 10.321 -8.463 5.612 571 HB2 GLU 548 HB2 GLU 548 11.352 -9.724 7.477 572 HB3 GLU 548 HB1 GLU 548 11.516 -10.523 5.920 573 HG2 GLU 548 HG2 GLU 548 13.805 -9.791 5.741 574 HG3 GLU 548 HG1 GLU 548 13.660 -8.881 7.244 575 H GLY 549 HN GLY 549 13.330 -6.738 5.788 576 HA2 GLY 549 HA2 GLY 549 12.888 -5.639 8.396 577 HA3 GLY 549 HA1 GLY 549 14.089 -5.104 7.232 578 H ASP 550 HN ASP 550 11.760 -4.846 5.240 579 HA ASP 550 HA ASP 550 11.066 -2.123 6.098 580 HB2 ASP 550 HB2 ASP 550 10.971 -3.344 3.330 581 HB3 ASP 550 HB1 ASP 550 10.631 -1.666 3.730 582 H HIS 551 HN HIS 551 9.740 -4.843 6.667 583 HA HIS 551 HA HIS 551 7.292 -5.058 5.355 584 HB2 HIS 551 HB2 HIS 551 8.038 -6.866 6.733 585 HB3 HIS 551 HB1 HIS 551 8.122 -5.836 8.156 586 HD1 HIS 551 HD1 HIS 551 6.017 -5.581 9.543 587 HD2 HIS 551 HD2 HIS 551 5.384 -7.616 5.974 588 HE1 HIS 551 HE1 HIS 551 3.654 -6.431 9.660 589 HE2 HIS 551 HE2 HIS 551 3.336 -7.771 7.552 590 H LYS 552 HN LYS 552 8.084 -3.243 8.322 591 HA LYS 552 HA LYS 552 5.420 -2.461 8.880 592 HB2 LYS 552 HB2 LYS 552 7.974 -1.061 9.683 593 HB3 LYS 552 HB1 LYS 552 6.397 -0.835 10.419 594 HG2 LYS 552 HG2 LYS 552 6.417 -3.160 11.174 595 HG3 LYS 552 HG1 LYS 552 8.006 -3.377 10.446 596 HD2 LYS 552 HD2 LYS 552 7.328 -1.446 12.662 597 HD3 LYS 552 HD1 LYS 552 8.166 -2.985 12.857 598 HE2 LYS 552 HE2 LYS 552 9.153 -0.613 11.271 599 HE3 LYS 552 HE1 LYS 552 9.733 -1.112 12.856 600 HZ1 LYS 552 HZ1 LYS 552 9.962 -2.675 10.342 601 HZ2 LYS 552 HZ2 LYS 552 10.479 -3.201 11.864 602 HZ3 LYS 552 HZ3 LYS 552 11.218 -1.866 11.137 603 H THR 553 HN THR 553 8.049 -0.946 7.106 604 HA THR 553 HA THR 553 6.849 1.524 6.582 605 HB THR 553 HB THR 553 8.814 -0.003 4.864 606 HG1 THR 553 HG1 THR 553 10.384 0.996 6.108 607 HG21 THR 553 HG21 THR 553 8.182 2.948 5.010 608 HG22 THR 553 HG22 THR 553 7.845 1.869 3.655 609 HG23 THR 553 HG23 THR 553 9.512 2.239 4.095 610 H MET 554 HN MET 554 6.833 -1.491 4.702 611 HA MET 554 HA MET 554 5.375 -0.459 2.508 612 HB2 MET 554 HB2 MET 554 5.641 -3.304 3.487 613 HB3 MET 554 HB1 MET 554 5.024 -2.828 1.914 614 HG2 MET 554 HG2 MET 554 7.799 -2.384 2.965 615 HG3 MET 554 HG1 MET 554 7.305 -3.536 1.727 616 HE1 MET 554 HE1 MET 554 9.359 -2.479 0.362 617 HE2 MET 554 HE2 MET 554 9.630 -1.215 1.566 618 HE3 MET 554 HE3 MET 554 9.432 -0.788 -0.134 619 H ALA 555 HN ALA 555 4.423 -2.321 5.348 620 HA ALA 555 HA ALA 555 1.706 -2.620 4.710 621 HB1 ALA 555 HB1 ALA 555 1.404 -3.197 7.037 622 HB2 ALA 555 HB2 ALA 555 2.939 -2.435 7.461 623 HB3 ALA 555 HB3 ALA 555 2.922 -3.891 6.461 624 H LYS 556 HN LYS 556 3.472 -0.009 6.266 625 HA LYS 556 HA LYS 556 1.217 1.390 7.227 626 HB2 LYS 556 HB2 LYS 556 3.439 1.855 8.079 627 HB3 LYS 556 HB1 LYS 556 3.960 2.396 6.489 628 HG2 LYS 556 HG2 LYS 556 3.495 4.293 7.915 629 HG3 LYS 556 HG1 LYS 556 2.345 4.221 6.581 630 HD2 LYS 556 HD2 LYS 556 0.732 3.104 8.112 631 HD3 LYS 556 HD1 LYS 556 1.866 3.379 9.433 632 HE2 LYS 556 HE2 LYS 556 0.597 5.518 7.726 633 HE3 LYS 556 HE1 LYS 556 0.107 5.088 9.363 634 HZ1 LYS 556 HZ1 LYS 556 2.298 5.752 10.147 635 HZ2 LYS 556 HZ2 LYS 556 1.522 7.033 9.362 636 HZ3 LYS 556 HZ3 LYS 556 2.753 6.182 8.576 637 H ALA 557 HN ALA 557 3.023 1.502 4.202 638 HA ALA 557 HA ALA 557 1.651 3.637 3.006 639 HB1 ALA 557 HB1 ALA 557 3.741 2.553 2.148 640 HB2 ALA 557 HB2 ALA 557 2.502 2.824 0.924 641 HB3 ALA 557 HB3 ALA 557 2.743 1.209 1.592 642 H ILE 558 HN ILE 558 1.075 0.169 2.986 643 HA ILE 558 HA ILE 558 -1.219 0.118 1.383 644 HB ILE 558 HB ILE 558 -0.558 -1.713 3.695 645 HG12 ILE 558 HG12 ILE 558 0.239 -1.944 0.796 646 HG13 ILE 558 HG11 ILE 558 1.309 -1.480 2.100 647 HG21 ILE 558 HG21 ILE 558 -2.318 -2.040 1.281 648 HG22 ILE 558 HG22 ILE 558 -2.790 -2.100 2.984 649 HG23 ILE 558 HG23 ILE 558 -1.790 -3.382 2.293 650 HD11 ILE 558 HD11 ILE 558 -0.064 -4.131 1.797 651 HD12 ILE 558 HD12 ILE 558 0.994 -3.666 3.128 652 HD13 ILE 558 HD13 ILE 558 1.639 -3.789 1.493 653 H LYS 559 HN LYS 559 -0.853 0.278 4.899 654 HA LYS 559 HA LYS 559 -3.611 0.293 5.489 655 HB2 LYS 559 HB2 LYS 559 -1.726 -0.309 7.042 656 HB3 LYS 559 HB1 LYS 559 -1.366 1.405 7.180 657 HG2 LYS 559 HG2 LYS 559 -3.573 1.801 8.133 658 HG3 LYS 559 HG1 LYS 559 -3.953 0.086 7.977 659 HD2 LYS 559 HD2 LYS 559 -1.713 1.240 9.642 660 HD3 LYS 559 HD1 LYS 559 -3.263 0.673 10.266 661 HE2 LYS 559 HE2 LYS 559 -2.767 -1.576 9.411 662 HE3 LYS 559 HE1 LYS 559 -1.208 -1.002 8.823 663 HZ1 LYS 559 HZ1 LYS 559 -0.595 -0.480 11.111 664 HZ2 LYS 559 HZ2 LYS 559 -0.961 -2.123 10.932 665 HZ3 LYS 559 HZ3 LYS 559 -2.078 -1.079 11.660 666 H ASP 560 HN ASP 560 -1.254 2.915 5.021 667 HA ASP 560 HA ASP 560 -2.933 5.019 5.876 668 HB2 ASP 560 HB2 ASP 560 -0.394 5.066 5.424 669 HB3 ASP 560 HB1 ASP 560 -0.838 5.336 3.745 670 H ARG 561 HN ARG 561 -2.355 3.576 2.705 671 HA ARG 561 HA ARG 561 -4.094 5.265 1.259 672 HB2 ARG 561 HB2 ARG 561 -2.462 3.948 0.088 673 HB3 ARG 561 HB1 ARG 561 -3.153 2.463 0.707 674 HG2 ARG 561 HG2 ARG 561 -3.714 2.988 -1.672 675 HG3 ARG 561 HG1 ARG 561 -5.098 2.699 -0.617 676 HD2 ARG 561 HD2 ARG 561 -5.910 4.621 -1.412 677 HD3 ARG 561 HD1 ARG 561 -4.722 5.406 -0.397 678 HE ARG 561 HE ARG 561 -3.223 5.188 -2.468 679 HH11 ARG 561 HH11 ARG 561 -6.688 5.716 -2.590 680 HH12 ARG 561 HH12 ARG 561 -6.621 6.661 -4.040 681 HH21 ARG 561 HH21 ARG 561 -3.137 6.440 -4.369 682 HH22 ARG 561 HH22 ARG 561 -4.601 7.059 -5.066 683 H VAL 562 HN VAL 562 -4.575 1.986 2.534 684 HA VAL 562 HA VAL 562 -7.255 1.707 1.859 685 HB VAL 562 HB VAL 562 -5.790 0.589 4.258 686 HG11 VAL 562 HG11 VAL 562 -7.563 -1.122 4.278 687 HG12 VAL 562 HG12 VAL 562 -8.435 -0.194 3.055 688 HG13 VAL 562 HG13 VAL 562 -8.162 0.492 4.657 689 HG21 VAL 562 HG21 VAL 562 -4.807 -0.060 2.129 690 HG22 VAL 562 HG22 VAL 562 -6.385 -0.592 1.548 691 HG23 VAL 562 HG23 VAL 562 -5.607 -1.436 2.888 692 H SER 563 HN SER 563 -5.778 3.249 4.664 693 HA SER 563 HA SER 563 -8.030 3.818 6.171 694 HB2 SER 563 HB2 SER 563 -5.749 4.263 6.957 695 HB3 SER 563 HB1 SER 563 -5.565 5.536 5.753 696 HG SER 563 HG SER 563 -7.539 5.536 7.794 697 H LEU 564 HN LEU 564 -6.533 5.901 3.661 698 HA LEU 564 HA LEU 564 -8.558 7.867 3.852 699 HB2 LEU 564 HB2 LEU 564 -7.550 8.883 1.909 700 HB3 LEU 564 HB1 LEU 564 -6.326 8.380 3.043 701 HG LEU 564 HG LEU 564 -6.312 6.241 1.467 702 HD11 LEU 564 HD11 LEU 564 -8.047 7.062 -0.012 703 HD12 LEU 564 HD12 LEU 564 -6.511 6.939 -0.869 704 HD13 LEU 564 HD13 LEU 564 -7.101 8.514 -0.339 705 HD21 LEU 564 HD21 LEU 564 -4.887 8.844 0.956 706 HD22 LEU 564 HD22 LEU 564 -4.400 7.279 0.308 707 HD23 LEU 564 HD23 LEU 564 -4.372 7.558 2.048 708 H ILE 565 HN ILE 565 -8.064 5.120 1.733 709 HA ILE 565 HA ILE 565 -10.171 5.398 -0.039 710 HB ILE 565 HB ILE 565 -8.958 2.977 1.255 711 HG12 ILE 565 HG12 ILE 565 -8.858 4.029 -1.561 712 HG13 ILE 565 HG11 ILE 565 -7.643 4.325 -0.329 713 HG21 ILE 565 HG21 ILE 565 -10.142 1.566 -0.346 714 HG22 ILE 565 HG22 ILE 565 -11.040 2.969 -0.929 715 HG23 ILE 565 HG23 ILE 565 -11.273 2.394 0.724 716 HD11 ILE 565 HD11 ILE 565 -8.412 1.642 -1.420 717 HD12 ILE 565 HD12 ILE 565 -7.183 1.955 -0.197 718 HD13 ILE 565 HD13 ILE 565 -6.965 2.560 -1.838 719 H LYS 566 HN LYS 566 -10.200 3.839 3.147 720 HA LYS 566 HA LYS 566 -13.004 3.378 3.135 721 HB2 LYS 566 HB2 LYS 566 -10.980 3.350 5.369 722 HB3 LYS 566 HB1 LYS 566 -12.669 2.914 5.588 723 HG2 LYS 566 HG2 LYS 566 -12.393 1.143 3.887 724 HG3 LYS 566 HG1 LYS 566 -10.683 1.550 3.791 725 HD2 LYS 566 HD2 LYS 566 -10.381 0.963 6.127 726 HD3 LYS 566 HD1 LYS 566 -12.110 0.638 6.289 727 HE2 LYS 566 HE2 LYS 566 -11.866 -1.116 4.530 728 HE3 LYS 566 HE1 LYS 566 -10.124 -0.858 4.585 729 HZ1 LYS 566 HZ1 LYS 566 -10.780 -2.735 5.947 730 HZ2 LYS 566 HZ2 LYS 566 -11.815 -1.751 6.855 731 HZ3 LYS 566 HZ3 LYS 566 -10.144 -1.502 6.918 732 H ARG 567 HN ARG 567 -11.017 6.067 4.216 733 HA ARG 567 HA ARG 567 -12.970 7.349 5.781 734 HB2 ARG 567 HB2 ARG 567 -10.528 8.340 4.333 735 HB3 ARG 567 HB1 ARG 567 -11.551 9.396 5.280 736 HG2 ARG 567 HG2 ARG 567 -10.078 6.987 6.308 737 HG3 ARG 567 HG1 ARG 567 -9.622 8.673 6.561 738 HD2 ARG 567 HD2 ARG 567 -11.677 9.064 7.796 739 HD3 ARG 567 HD1 ARG 567 -12.195 7.408 7.495 740 HE ARG 567 HE ARG 567 -9.666 7.535 8.818 741 HH11 ARG 567 HH11 ARG 567 -13.121 7.720 9.325 742 HH12 ARG 567 HH12 ARG 567 -13.043 7.162 10.965 743 HH21 ARG 567 HH21 ARG 567 -9.548 6.822 10.983 744 HH22 ARG 567 HH22 ARG 567 -11.005 6.658 11.912 745 H LYS 568 HN LYS 568 -12.227 7.472 2.332 746 HA LYS 568 HA LYS 568 -14.049 9.495 1.611 747 HB2 LYS 568 HB2 LYS 568 -13.197 7.043 0.051 748 HB3 LYS 568 HB1 LYS 568 -14.049 8.420 -0.628 749 HG2 LYS 568 HG2 LYS 568 -12.165 9.855 -0.230 750 HG3 LYS 568 HG1 LYS 568 -11.320 8.567 0.638 751 HD2 LYS 568 HD2 LYS 568 -11.250 7.224 -1.391 752 HD3 LYS 568 HD1 LYS 568 -12.146 8.467 -2.262 753 HE2 LYS 568 HE2 LYS 568 -9.443 8.879 -0.994 754 HE3 LYS 568 HE1 LYS 568 -9.698 8.488 -2.693 755 HZ1 LYS 568 HZ1 LYS 568 -10.574 10.939 -1.272 756 HZ2 LYS 568 HZ2 LYS 568 -11.056 10.545 -2.844 757 HZ3 LYS 568 HZ3 LYS 568 -9.422 10.822 -2.505 758 H ARG 569 HN ARG 569 -14.437 6.210 2.541 759 HA ARG 569 HA ARG 569 -17.154 5.995 1.536 760 HB2 ARG 569 HB2 ARG 569 -15.426 4.044 3.034 761 HB3 ARG 569 HB1 ARG 569 -17.013 3.690 2.367 762 HG2 ARG 569 HG2 ARG 569 -16.051 4.395 0.122 763 HG3 ARG 569 HG1 ARG 569 -14.471 4.295 0.907 764 HD2 ARG 569 HD2 ARG 569 -15.012 1.981 1.568 765 HD3 ARG 569 HD1 ARG 569 -16.504 2.107 0.646 766 HE ARG 569 HE ARG 569 -14.250 2.741 -0.966 767 HH11 ARG 569 HH11 ARG 569 -16.001 0.049 0.436 768 HH12 ARG 569 HH12 ARG 569 -15.437 -1.086 -0.748 769 HH21 ARG 569 HH21 ARG 569 -13.525 1.249 -2.533 770 HH22 ARG 569 HH22 ARG 569 -14.045 -0.411 -2.422 771 H GLU 570 HN GLU 570 -15.641 7.139 4.294 772 HA GLU 570 HA GLU 570 -17.522 6.200 6.243 773 HB2 GLU 570 HB2 GLU 570 -15.322 8.241 6.342 774 HB3 GLU 570 HB1 GLU 570 -16.366 7.897 7.718 775 HG2 GLU 570 HG2 GLU 570 -14.613 5.909 6.298 776 HG3 GLU 570 HG1 GLU 570 -14.275 6.671 7.847 777 H GLN 571 HN GLN 571 -17.926 8.305 3.821 778 HA GLN 571 HA GLN 571 -19.389 10.369 5.147 779 HB2 GLN 571 HB2 GLN 571 -18.374 10.605 2.866 780 HB3 GLN 571 HB1 GLN 571 -19.583 9.481 2.263 781 HG2 GLN 571 HG2 GLN 571 -21.347 11.039 2.940 782 HG3 GLN 571 HG1 GLN 571 -20.117 12.173 3.491 783 HE21 GLN 571 HE21 GLN 571 -20.782 13.755 2.066 784 HE22 GLN 571 HE22 GLN 571 -20.478 13.660 0.367 785 H ARG 572 HN ARG 572 -19.935 7.157 4.373 786 HA ARG 572 HA ARG 572 -22.822 7.435 4.874 787 HB2 ARG 572 HB2 ARG 572 -21.444 5.274 3.260 788 HB3 ARG 572 HB1 ARG 572 -23.173 5.408 3.548 789 HG2 ARG 572 HG2 ARG 572 -23.208 7.520 2.313 790 HG3 ARG 572 HG1 ARG 572 -21.477 7.364 2.011 791 HD2 ARG 572 HD2 ARG 572 -22.700 6.623 0.072 792 HD3 ARG 572 HD1 ARG 572 -21.913 5.240 0.831 793 HE ARG 572 HE ARG 572 -24.476 5.378 1.883 794 HH11 ARG 572 HH11 ARG 572 -23.019 4.933 -1.267 795 HH12 ARG 572 HH12 ARG 572 -24.308 3.933 -1.860 796 HH21 ARG 572 HH21 ARG 572 -26.173 4.077 1.112 797 HH22 ARG 572 HH22 ARG 572 -26.116 3.457 -0.511 Start of MODEL 7 1 H1 GLY 475 HT1 GLY 475 16.881 17.026 1.442 2 H2 GLY 475 HT2 GLY 475 17.566 17.935 0.193 3 H3 GLY 475 HT3 GLY 475 18.504 16.801 1.025 4 HA2 GLY 475 HA1 GLY 475 17.875 15.945 -1.135 5 HA3 GLY 475 HA2 GLY 475 17.158 15.001 0.163 6 H ALA 476 HN ALA 476 14.938 15.418 0.716 7 HA ALA 476 HA ALA 476 13.330 15.876 -1.638 8 HB1 ALA 476 HB1 ALA 476 12.803 14.041 -0.109 9 HB2 ALA 476 HB2 ALA 476 11.463 15.183 -0.219 10 HB3 ALA 476 HB3 ALA 476 12.523 15.199 1.190 11 H MET 477 HN MET 477 12.043 17.623 -2.048 12 HA MET 477 HA MET 477 12.498 20.011 -0.511 13 HB2 MET 477 HB2 MET 477 11.135 21.150 -2.127 14 HB3 MET 477 HB1 MET 477 12.175 20.031 -2.992 15 HG2 MET 477 HG2 MET 477 10.322 18.464 -3.211 16 HG3 MET 477 HG1 MET 477 9.277 19.572 -2.323 17 HE1 MET 477 HE1 MET 477 7.474 19.562 -4.243 18 HE2 MET 477 HE2 MET 477 8.456 18.410 -5.149 19 HE3 MET 477 HE3 MET 477 7.844 19.862 -5.941 20 H ASP 478 HN ASP 478 10.337 17.432 -0.419 21 HA ASP 478 HA ASP 478 8.395 18.871 1.231 22 HB2 ASP 478 HB2 ASP 478 7.072 16.785 1.098 23 HB3 ASP 478 HB1 ASP 478 7.458 17.416 -0.498 24 HA PRO 479 HA PRO 479 9.775 17.686 5.263 25 HB2 PRO 479 HB2 PRO 479 7.132 16.248 5.225 26 HB3 PRO 479 HB1 PRO 479 7.869 17.179 6.540 27 HG2 PRO 479 HG2 PRO 479 6.018 18.297 5.034 28 HG3 PRO 479 HG1 PRO 479 7.472 19.218 5.466 29 HD2 PRO 479 HD2 PRO 479 6.718 17.986 2.874 30 HD3 PRO 479 HD1 PRO 479 7.698 19.430 3.194 31 H GLN 480 HN GLN 480 11.229 16.185 5.668 32 HA GLN 480 HA GLN 480 11.733 13.949 4.155 33 HB2 GLN 480 HB2 GLN 480 13.348 15.039 5.676 34 HB3 GLN 480 HB1 GLN 480 12.487 14.364 7.049 35 HG2 GLN 480 HG2 GLN 480 13.004 12.104 6.237 36 HG3 GLN 480 HG1 GLN 480 13.915 12.812 4.903 37 HE21 GLN 480 HE21 GLN 480 14.927 14.988 6.618 38 HE22 GLN 480 HE22 GLN 480 16.165 14.270 7.584 39 H GLU 481 HN GLU 481 10.466 12.277 3.844 40 HA GLU 481 HA GLU 481 9.169 11.036 6.171 41 HB2 GLU 481 HB2 GLU 481 7.588 11.761 4.456 42 HB3 GLU 481 HB1 GLU 481 8.466 10.852 3.235 43 HG2 GLU 481 HG2 GLU 481 6.418 9.725 3.963 44 HG3 GLU 481 HG1 GLU 481 7.865 8.773 4.284 45 H GLU 482 HN GLU 482 10.276 9.386 6.922 46 HA GLU 482 HA GLU 482 12.251 7.974 5.451 47 HB2 GLU 482 HB2 GLU 482 12.299 6.465 7.429 48 HB3 GLU 482 HB1 GLU 482 12.459 8.164 7.847 49 HG2 GLU 482 HG2 GLU 482 10.084 8.221 8.462 50 HG3 GLU 482 HG1 GLU 482 9.957 6.505 8.083 51 H THR 483 HN THR 483 8.869 7.648 5.835 52 HA THR 483 HA THR 483 8.740 4.905 4.941 53 HB THR 483 HB THR 483 6.417 6.819 4.987 54 HG1 THR 483 HG1 THR 483 7.297 7.156 6.994 55 HG21 THR 483 HG21 THR 483 6.064 4.531 4.149 56 HG22 THR 483 HG22 THR 483 5.178 4.821 5.645 57 HG23 THR 483 HG23 THR 483 6.673 3.886 5.673 58 H GLY 484 HN GLY 484 10.093 5.396 3.038 59 HA2 GLY 484 HA2 GLY 484 9.102 7.042 0.908 60 HA3 GLY 484 HA1 GLY 484 10.446 5.917 0.823 61 H VAL 485 HN VAL 485 6.934 5.773 1.245 62 HA VAL 485 HA VAL 485 6.693 4.128 -1.151 63 HB VAL 485 HB VAL 485 4.990 2.731 0.303 64 HG11 VAL 485 HG11 VAL 485 6.880 1.804 -0.936 65 HG12 VAL 485 HG12 VAL 485 6.669 1.026 0.633 66 HG13 VAL 485 HG13 VAL 485 7.953 2.217 0.403 67 HG21 VAL 485 HG21 VAL 485 7.045 3.612 2.312 68 HG22 VAL 485 HG22 VAL 485 5.867 2.318 2.558 69 HG23 VAL 485 HG23 VAL 485 5.321 3.984 2.335 70 H ARG 486 HN ARG 486 4.470 3.923 -1.852 71 HA ARG 486 HA ARG 486 2.379 5.311 -0.495 72 HB2 ARG 486 HB2 ARG 486 3.567 7.202 -1.550 73 HB3 ARG 486 HB1 ARG 486 3.314 6.471 -3.127 74 HG2 ARG 486 HG2 ARG 486 1.717 8.284 -2.604 75 HG3 ARG 486 HG1 ARG 486 0.930 6.732 -2.913 76 HD2 ARG 486 HD2 ARG 486 0.709 6.342 -0.526 77 HD3 ARG 486 HD1 ARG 486 1.562 7.850 -0.183 78 HE ARG 486 HE ARG 486 -0.671 8.439 -1.769 79 HH11 ARG 486 HH11 ARG 486 0.134 7.302 1.430 80 HH12 ARG 486 HH12 ARG 486 -1.309 7.924 2.177 81 HH21 ARG 486 HH21 ARG 486 -2.586 9.262 -0.824 82 HH22 ARG 486 HH22 ARG 486 -2.859 9.059 0.878 83 H VAL 487 HN VAL 487 0.415 4.621 -1.147 84 HA VAL 487 HA VAL 487 0.450 2.583 -3.271 85 HB VAL 487 HB VAL 487 -1.294 2.660 -0.805 86 HG11 VAL 487 HG11 VAL 487 -2.385 1.584 -2.716 87 HG12 VAL 487 HG12 VAL 487 -1.974 0.412 -1.465 88 HG13 VAL 487 HG13 VAL 487 -0.986 0.532 -2.920 89 HG21 VAL 487 HG21 VAL 487 1.012 2.203 -0.261 90 HG22 VAL 487 HG22 VAL 487 1.081 0.959 -1.509 91 HG23 VAL 487 HG23 VAL 487 0.052 0.731 -0.098 92 H GLU 488 HN GLU 488 -1.086 2.563 -4.780 93 HA GLU 488 HA GLU 488 -3.189 4.625 -4.710 94 HB2 GLU 488 HB2 GLU 488 -1.206 4.110 -6.932 95 HB3 GLU 488 HB1 GLU 488 -2.657 5.073 -7.134 96 HG2 GLU 488 HG2 GLU 488 -1.843 6.589 -5.354 97 HG3 GLU 488 HG1 GLU 488 -0.352 5.650 -5.293 98 H LEU 489 HN LEU 489 -4.875 4.267 -6.311 99 HA LEU 489 HA LEU 489 -5.613 1.480 -6.390 100 HB2 LEU 489 HB2 LEU 489 -7.022 3.889 -7.525 101 HB3 LEU 489 HB1 LEU 489 -7.698 2.282 -7.381 102 HG LEU 489 HG LEU 489 -6.872 3.990 -5.036 103 HD11 LEU 489 HD11 LEU 489 -8.711 5.035 -6.214 104 HD12 LEU 489 HD12 LEU 489 -9.319 4.290 -4.737 105 HD13 LEU 489 HD13 LEU 489 -9.579 3.501 -6.292 106 HD21 LEU 489 HD21 LEU 489 -6.891 1.525 -4.675 107 HD22 LEU 489 HD22 LEU 489 -8.594 1.512 -5.129 108 HD23 LEU 489 HD23 LEU 489 -8.067 2.399 -3.694 109 H ALA 490 HN ALA 490 -5.656 0.177 -8.131 110 HA ALA 490 HA ALA 490 -4.476 1.089 -10.631 111 HB1 ALA 490 HB1 ALA 490 -4.616 -1.231 -11.312 112 HB2 ALA 490 HB2 ALA 490 -5.621 -1.610 -9.916 113 HB3 ALA 490 HB3 ALA 490 -3.940 -1.139 -9.685 114 H GLU 491 HN GLU 491 -7.349 1.409 -9.264 115 HA GLU 491 HA GLU 491 -8.839 1.419 -11.759 116 HB2 GLU 491 HB2 GLU 491 -10.771 0.354 -10.438 117 HB3 GLU 491 HB1 GLU 491 -9.477 -0.700 -10.994 118 HG2 GLU 491 HG2 GLU 491 -8.433 -0.478 -8.758 119 HG3 GLU 491 HG1 GLU 491 -9.867 0.391 -8.224 120 H GLU 492 HN GLU 492 -11.209 2.241 -11.067 121 HA GLU 492 HA GLU 492 -10.648 4.782 -9.718 122 HB2 GLU 492 HB2 GLU 492 -12.902 4.060 -11.603 123 HB3 GLU 492 HB1 GLU 492 -12.589 5.654 -10.937 124 HG2 GLU 492 HG2 GLU 492 -11.786 5.702 -13.140 125 HG3 GLU 492 HG1 GLU 492 -10.361 5.578 -12.113 126 H ASP 493 HN ASP 493 -10.914 3.697 -7.630 127 HA ASP 493 HA ASP 493 -13.628 2.812 -7.034 128 HB2 ASP 493 HB2 ASP 493 -11.515 1.513 -6.329 129 HB3 ASP 493 HB1 ASP 493 -11.350 2.744 -5.080 130 H ASP 494 HN ASP 494 -15.024 4.222 -6.303 131 HA ASP 494 HA ASP 494 -14.208 6.132 -4.243 132 HB2 ASP 494 HB2 ASP 494 -15.651 6.861 -6.798 133 HB3 ASP 494 HB1 ASP 494 -15.691 7.875 -5.364 134 H GLY 495 HN GLY 495 -15.822 3.576 -4.505 135 HA2 GLY 495 HA2 GLY 495 -18.428 4.665 -3.644 136 HA3 GLY 495 HA1 GLY 495 -18.274 3.195 -4.592 137 H GLU 496 HN GLU 496 -18.608 1.463 -3.489 138 HA GLU 496 HA GLU 496 -17.726 1.309 -0.696 139 HB2 GLU 496 HB2 GLU 496 -20.462 0.633 -1.769 140 HB3 GLU 496 HB1 GLU 496 -19.894 0.129 -0.183 141 HG2 GLU 496 HG2 GLU 496 -19.574 2.536 0.379 142 HG3 GLU 496 HG1 GLU 496 -20.340 2.939 -1.157 143 H LYS 497 HN LYS 497 -16.389 0.242 -2.870 144 HA LYS 497 HA LYS 497 -17.095 -2.495 -3.265 145 HB2 LYS 497 HB2 LYS 497 -14.686 -0.830 -3.968 146 HB3 LYS 497 HB1 LYS 497 -14.841 -2.524 -4.393 147 HG2 LYS 497 HG2 LYS 497 -16.782 -2.074 -5.732 148 HG3 LYS 497 HG1 LYS 497 -16.799 -0.395 -5.205 149 HD2 LYS 497 HD2 LYS 497 -15.892 -0.616 -7.462 150 HD3 LYS 497 HD1 LYS 497 -14.679 -0.002 -6.341 151 HE2 LYS 497 HE2 LYS 497 -14.833 -2.935 -6.864 152 HE3 LYS 497 HE1 LYS 497 -14.093 -1.886 -8.070 153 HZ1 LYS 497 HZ1 LYS 497 -13.065 -1.179 -5.566 154 HZ2 LYS 497 HZ2 LYS 497 -12.252 -1.881 -6.885 155 HZ3 LYS 497 HZ3 LYS 497 -12.963 -2.874 -5.706 156 H ILE 498 HN ILE 498 -16.137 -4.285 -2.448 157 HA ILE 498 HA ILE 498 -14.956 -3.956 0.176 158 HB ILE 498 HB ILE 498 -16.014 -6.353 -1.289 159 HG12 ILE 498 HG12 ILE 498 -17.659 -4.721 -0.424 160 HG13 ILE 498 HG11 ILE 498 -17.768 -6.283 0.363 161 HG21 ILE 498 HG21 ILE 498 -14.139 -7.049 0.107 162 HG22 ILE 498 HG22 ILE 498 -15.670 -7.631 0.760 163 HG23 ILE 498 HG23 ILE 498 -14.869 -6.244 1.495 164 HD11 ILE 498 HD11 ILE 498 -16.474 -5.386 2.256 165 HD12 ILE 498 HD12 ILE 498 -18.013 -4.561 2.000 166 HD13 ILE 498 HD13 ILE 498 -16.508 -3.803 1.477 167 H ALA 499 HN ALA 499 -14.124 -4.975 -3.027 168 HA ALA 499 HA ALA 499 -11.402 -5.535 -2.074 169 HB1 ALA 499 HB1 ALA 499 -11.242 -7.345 -3.723 170 HB2 ALA 499 HB2 ALA 499 -12.949 -7.106 -4.116 171 HB3 ALA 499 HB3 ALA 499 -12.481 -7.642 -2.501 172 H ILE 500 HN ILE 500 -9.803 -4.653 -3.202 173 HA ILE 500 HA ILE 500 -10.467 -3.197 -5.668 174 HB ILE 500 HB ILE 500 -9.218 -1.299 -4.889 175 HG12 ILE 500 HG12 ILE 500 -8.665 -2.971 -2.437 176 HG13 ILE 500 HG11 ILE 500 -7.487 -2.360 -3.591 177 HG21 ILE 500 HG21 ILE 500 -11.137 -2.259 -2.794 178 HG22 ILE 500 HG22 ILE 500 -11.550 -1.374 -4.264 179 HG23 ILE 500 HG23 ILE 500 -10.607 -0.589 -2.996 180 HD11 ILE 500 HD11 ILE 500 -7.467 -1.095 -1.519 181 HD12 ILE 500 HD12 ILE 500 -9.167 -0.685 -1.748 182 HD13 ILE 500 HD13 ILE 500 -7.955 -0.091 -2.883 183 H LYS 501 HN LYS 501 -8.242 -2.226 -6.483 184 HA LYS 501 HA LYS 501 -6.105 -4.208 -6.134 185 HB2 LYS 501 HB2 LYS 501 -7.361 -4.479 -8.315 186 HB3 LYS 501 HB1 LYS 501 -6.758 -2.890 -8.769 187 HG2 LYS 501 HG2 LYS 501 -4.469 -3.693 -8.605 188 HG3 LYS 501 HG1 LYS 501 -5.049 -5.279 -8.097 189 HD2 LYS 501 HD2 LYS 501 -5.619 -3.957 -10.750 190 HD3 LYS 501 HD1 LYS 501 -4.451 -5.248 -10.475 191 HE2 LYS 501 HE2 LYS 501 -7.430 -5.442 -10.048 192 HE3 LYS 501 HE1 LYS 501 -6.543 -6.098 -11.419 193 HZ1 LYS 501 HZ1 LYS 501 -6.219 -6.923 -8.580 194 HZ2 LYS 501 HZ2 LYS 501 -5.341 -7.537 -9.887 195 HZ3 LYS 501 HZ3 LYS 501 -7.004 -7.805 -9.791 196 H LEU 502 HN LEU 502 -4.298 -3.291 -5.452 197 HA LEU 502 HA LEU 502 -3.990 -0.379 -5.795 198 HB2 LEU 502 HB2 LEU 502 -3.088 -2.176 -3.546 199 HB3 LEU 502 HB1 LEU 502 -2.734 -0.464 -3.665 200 HG LEU 502 HG LEU 502 -5.554 -1.504 -3.553 201 HD11 LEU 502 HD11 LEU 502 -3.763 -0.690 -1.272 202 HD12 LEU 502 HD12 LEU 502 -4.412 -2.301 -1.575 203 HD13 LEU 502 HD13 LEU 502 -5.498 -0.978 -1.154 204 HD21 LEU 502 HD21 LEU 502 -4.379 1.172 -2.818 205 HD22 LEU 502 HD22 LEU 502 -6.087 0.736 -2.896 206 HD23 LEU 502 HD23 LEU 502 -5.124 0.803 -4.374 207 H TRP 503 HN TRP 503 -1.858 0.435 -6.032 208 HA TRP 503 HA TRP 503 0.227 -1.572 -6.570 209 HB2 TRP 503 HB2 TRP 503 -0.242 1.099 -7.881 210 HB3 TRP 503 HB1 TRP 503 1.313 0.274 -7.955 211 HD1 TRP 503 HD1 TRP 503 -2.354 -0.488 -8.840 212 HE1 TRP 503 HE1 TRP 503 -2.410 -1.832 -11.030 213 HE3 TRP 503 HE3 TRP 503 2.648 -1.153 -9.486 214 HZ2 TRP 503 HZ2 TRP 503 -0.565 -3.039 -12.777 215 HZ3 TRP 503 HZ3 TRP 503 3.424 -2.437 -11.427 216 HH2 TRP 503 HH2 TRP 503 1.854 -3.363 -13.037 217 H LEU 504 HN LEU 504 1.706 -1.602 -5.060 218 HA LEU 504 HA LEU 504 2.127 0.617 -3.263 219 HB2 LEU 504 HB2 LEU 504 2.263 -1.641 -2.404 220 HB3 LEU 504 HB1 LEU 504 3.485 -2.045 -3.587 221 HG LEU 504 HG LEU 504 5.009 -0.397 -2.475 222 HD11 LEU 504 HD11 LEU 504 4.458 0.290 -0.191 223 HD12 LEU 504 HD12 LEU 504 2.843 -0.394 -0.381 224 HD13 LEU 504 HD13 LEU 504 3.346 0.976 -1.374 225 HD21 LEU 504 HD21 LEU 504 3.972 -2.670 -0.788 226 HD22 LEU 504 HD22 LEU 504 5.536 -1.876 -0.600 227 HD23 LEU 504 HD23 LEU 504 5.180 -2.788 -2.066 228 H ARG 505 HN ARG 505 2.978 2.296 -4.406 229 HA ARG 505 HA ARG 505 5.287 1.893 -6.111 230 HB2 ARG 505 HB2 ARG 505 3.741 4.355 -5.329 231 HB3 ARG 505 HB1 ARG 505 5.194 4.412 -6.310 232 HG2 ARG 505 HG2 ARG 505 3.958 2.767 -7.849 233 HG3 ARG 505 HG1 ARG 505 2.512 3.282 -6.980 234 HD2 ARG 505 HD2 ARG 505 4.442 5.150 -8.343 235 HD3 ARG 505 HD1 ARG 505 2.951 4.559 -9.071 236 HE ARG 505 HE ARG 505 1.704 5.857 -7.556 237 HH11 ARG 505 HH11 ARG 505 5.159 6.314 -7.157 238 HH12 ARG 505 HH12 ARG 505 4.988 7.795 -6.275 239 HH21 ARG 505 HH21 ARG 505 1.482 7.822 -6.432 240 HH22 ARG 505 HH22 ARG 505 2.893 8.664 -5.876 241 H ILE 506 HN ILE 506 7.342 2.316 -5.595 242 HA ILE 506 HA ILE 506 7.922 2.893 -2.798 243 HB ILE 506 HB ILE 506 9.895 2.245 -4.985 244 HG12 ILE 506 HG12 ILE 506 8.264 0.418 -4.823 245 HG13 ILE 506 HG11 ILE 506 9.821 -0.083 -4.176 246 HG21 ILE 506 HG21 ILE 506 11.248 1.488 -3.026 247 HG22 ILE 506 HG22 ILE 506 10.021 2.211 -1.984 248 HG23 ILE 506 HG23 ILE 506 10.944 3.223 -3.096 249 HD11 ILE 506 HD11 ILE 506 8.036 -0.909 -2.790 250 HD12 ILE 506 HD12 ILE 506 7.397 0.721 -2.588 251 HD13 ILE 506 HD13 ILE 506 8.966 0.298 -1.903 252 H GLU 507 HN GLU 507 8.325 4.890 -2.155 253 HA GLU 507 HA GLU 507 8.709 7.002 -4.070 254 HB2 GLU 507 HB2 GLU 507 8.454 6.975 -1.066 255 HB3 GLU 507 HB1 GLU 507 8.652 8.438 -2.015 256 HG2 GLU 507 HG2 GLU 507 6.378 6.494 -2.152 257 HG3 GLU 507 HG1 GLU 507 6.337 8.117 -1.473 258 H ASP 508 HN ASP 508 10.595 5.457 -1.503 259 HA ASP 508 HA ASP 508 12.985 6.750 -2.569 260 HB2 ASP 508 HB2 ASP 508 12.026 8.175 -0.703 261 HB3 ASP 508 HB1 ASP 508 12.393 6.838 0.392 262 H ILE 509 HN ILE 509 14.022 4.968 -3.153 263 HA ILE 509 HA ILE 509 13.913 2.575 -1.611 264 HB ILE 509 HB ILE 509 15.468 1.670 -3.328 265 HG12 ILE 509 HG12 ILE 509 15.475 3.221 -5.455 266 HG13 ILE 509 HG11 ILE 509 15.359 4.507 -4.262 267 HG21 ILE 509 HG21 ILE 509 13.095 1.428 -3.557 268 HG22 ILE 509 HG22 ILE 509 13.805 1.744 -5.140 269 HG23 ILE 509 HG23 ILE 509 12.964 3.033 -4.275 270 HD11 ILE 509 HD11 ILE 509 17.524 2.435 -4.436 271 HD12 ILE 509 HD12 ILE 509 17.409 3.695 -3.207 272 HD13 ILE 509 HD13 ILE 509 17.653 4.131 -4.899 273 H LYS 510 HN LYS 510 15.785 5.316 -1.231 274 HA LYS 510 HA LYS 510 18.244 4.044 -0.468 275 HB2 LYS 510 HB2 LYS 510 17.157 6.796 0.148 276 HB3 LYS 510 HB1 LYS 510 18.787 6.261 0.506 277 HG2 LYS 510 HG2 LYS 510 17.599 6.455 -2.244 278 HG3 LYS 510 HG1 LYS 510 18.656 7.656 -1.505 279 HD2 LYS 510 HD2 LYS 510 20.398 5.887 -1.291 280 HD3 LYS 510 HD1 LYS 510 19.341 4.801 -2.196 281 HE2 LYS 510 HE2 LYS 510 20.437 7.432 -3.185 282 HE3 LYS 510 HE1 LYS 510 21.019 5.835 -3.645 283 HZ1 LYS 510 HZ1 LYS 510 19.524 6.771 -5.304 284 HZ2 LYS 510 HZ2 LYS 510 18.286 6.875 -4.159 285 HZ3 LYS 510 HZ3 LYS 510 18.879 5.364 -4.630 286 H LYS 511 HN LYS 511 15.364 5.245 1.126 287 HA LYS 511 HA LYS 511 16.099 4.803 3.781 288 HB2 LYS 511 HB2 LYS 511 13.567 5.130 2.243 289 HB3 LYS 511 HB1 LYS 511 13.473 4.610 3.910 290 HG2 LYS 511 HG2 LYS 511 13.204 6.999 3.800 291 HG3 LYS 511 HG1 LYS 511 14.732 6.610 4.586 292 HD2 LYS 511 HD2 LYS 511 15.963 7.113 2.603 293 HD3 LYS 511 HD1 LYS 511 14.477 7.303 1.673 294 HE2 LYS 511 HE2 LYS 511 13.880 9.229 3.115 295 HE3 LYS 511 HE1 LYS 511 15.440 9.063 3.923 296 HZ1 LYS 511 HZ1 LYS 511 15.120 9.526 1.005 297 HZ2 LYS 511 HZ2 LYS 511 16.566 9.539 1.888 298 HZ3 LYS 511 HZ3 LYS 511 15.415 10.751 2.137 299 H LEU 512 HN LEU 512 14.751 2.712 1.324 300 HA LEU 512 HA LEU 512 14.070 0.616 3.185 301 HB2 LEU 512 HB2 LEU 512 14.159 0.498 0.179 302 HB3 LEU 512 HB1 LEU 512 13.304 -0.586 1.258 303 HG LEU 512 HG LEU 512 12.651 2.322 0.787 304 HD11 LEU 512 HD11 LEU 512 12.047 0.984 -1.094 305 HD12 LEU 512 HD12 LEU 512 10.584 1.375 -0.188 306 HD13 LEU 512 HD13 LEU 512 11.306 -0.229 -0.053 307 HD21 LEU 512 HD21 LEU 512 11.271 0.270 2.512 308 HD22 LEU 512 HD22 LEU 512 10.667 1.887 2.153 309 HD23 LEU 512 HD23 LEU 512 12.154 1.687 3.080 310 H LYS 513 HN LYS 513 15.077 -1.340 3.413 311 HA LYS 513 HA LYS 513 17.818 -1.484 2.323 312 HB2 LYS 513 HB2 LYS 513 16.751 -2.746 4.855 313 HB3 LYS 513 HB1 LYS 513 18.417 -2.779 4.295 314 HG2 LYS 513 HG2 LYS 513 16.870 -0.342 5.150 315 HG3 LYS 513 HG1 LYS 513 18.142 -1.153 6.063 316 HD2 LYS 513 HD2 LYS 513 19.747 -0.616 4.292 317 HD3 LYS 513 HD1 LYS 513 18.471 0.191 3.384 318 HE2 LYS 513 HE2 LYS 513 19.890 1.774 4.634 319 HE3 LYS 513 HE1 LYS 513 18.199 1.837 5.122 320 HZ1 LYS 513 HZ1 LYS 513 20.377 0.436 6.579 321 HZ2 LYS 513 HZ2 LYS 513 18.753 0.463 7.042 322 HZ3 LYS 513 HZ3 LYS 513 19.651 1.892 7.035 323 H GLY 514 HN GLY 514 16.795 -2.451 0.418 324 HA2 GLY 514 HA2 GLY 514 16.920 -5.308 0.538 325 HA3 GLY 514 HA1 GLY 514 15.275 -4.734 0.294 326 H LYS 515 HN LYS 515 15.133 -5.598 -1.798 327 HA LYS 515 HA LYS 515 16.902 -4.352 -3.789 328 HB2 LYS 515 HB2 LYS 515 16.879 -6.807 -3.813 329 HB3 LYS 515 HB1 LYS 515 15.140 -6.792 -4.071 330 HG2 LYS 515 HG2 LYS 515 15.519 -5.578 -6.198 331 HG3 LYS 515 HG1 LYS 515 17.257 -5.754 -5.945 332 HD2 LYS 515 HD2 LYS 515 16.957 -8.209 -5.902 333 HD3 LYS 515 HD1 LYS 515 15.247 -7.978 -6.267 334 HE2 LYS 515 HE2 LYS 515 15.858 -6.841 -8.353 335 HE3 LYS 515 HE1 LYS 515 17.562 -7.107 -7.992 336 HZ1 LYS 515 HZ1 LYS 515 17.160 -9.489 -8.066 337 HZ2 LYS 515 HZ2 LYS 515 16.728 -8.761 -9.527 338 HZ3 LYS 515 HZ3 LYS 515 15.531 -9.226 -8.428 339 H TYR 516 HN TYR 516 15.996 -2.495 -4.349 340 HA TYR 516 HA TYR 516 13.285 -2.549 -5.446 341 HB2 TYR 516 HB2 TYR 516 14.211 -0.450 -3.474 342 HB3 TYR 516 HB1 TYR 516 12.648 -0.506 -4.277 343 HD1 TYR 516 HD1 TYR 516 11.003 -2.254 -3.627 344 HD2 TYR 516 HD2 TYR 516 14.660 -1.702 -1.529 345 HE1 TYR 516 HE1 TYR 516 10.096 -3.512 -1.722 346 HE2 TYR 516 HE2 TYR 516 13.765 -2.957 0.379 347 HH TYR 516 HH TYR 516 10.649 -4.565 0.203 348 H LYS 517 HN LYS 517 12.817 -0.460 -6.597 349 HA LYS 517 HA LYS 517 15.234 0.902 -7.558 350 HB2 LYS 517 HB2 LYS 517 12.953 -0.093 -9.286 351 HB3 LYS 517 HB1 LYS 517 14.264 0.933 -9.845 352 HG2 LYS 517 HG2 LYS 517 15.857 -0.875 -9.247 353 HG3 LYS 517 HG1 LYS 517 14.477 -1.901 -8.858 354 HD2 LYS 517 HD2 LYS 517 14.685 -0.580 -11.537 355 HD3 LYS 517 HD1 LYS 517 15.573 -2.064 -11.206 356 HE2 LYS 517 HE2 LYS 517 13.469 -2.585 -12.276 357 HE3 LYS 517 HE1 LYS 517 13.456 -3.176 -10.618 358 HZ1 LYS 517 HZ1 LYS 517 11.955 -1.564 -9.970 359 HZ2 LYS 517 HZ2 LYS 517 11.406 -1.957 -11.520 360 HZ3 LYS 517 HZ3 LYS 517 12.299 -0.541 -11.278 361 H ASP 518 HN ASP 518 14.817 3.058 -8.367 362 HA ASP 518 HA ASP 518 12.847 4.421 -6.777 363 HB2 ASP 518 HB2 ASP 518 15.267 5.167 -7.499 364 HB3 ASP 518 HB1 ASP 518 14.437 5.783 -8.921 365 H ASN 519 HN ASN 519 11.691 2.688 -8.577 366 HA ASN 519 HA ASN 519 9.777 4.295 -9.904 367 HB2 ASN 519 HB2 ASN 519 10.220 3.414 -12.207 368 HB3 ASN 519 HB1 ASN 519 11.459 4.519 -11.627 369 HD21 ASN 519 HD21 ASN 519 12.980 3.725 -13.041 370 HD22 ASN 519 HD22 ASN 519 13.723 2.176 -12.842 371 H GLU 520 HN GLU 520 9.981 2.208 -7.946 372 HA GLU 520 HA GLU 520 9.063 -0.199 -9.311 373 HB2 GLU 520 HB2 GLU 520 10.967 -0.230 -7.634 374 HB3 GLU 520 HB1 GLU 520 9.766 0.109 -6.395 375 HG2 GLU 520 HG2 GLU 520 10.287 -2.261 -6.508 376 HG3 GLU 520 HG1 GLU 520 8.602 -1.952 -6.941 377 H ALA 521 HN ALA 521 7.096 -1.055 -9.005 378 HA ALA 521 HA ALA 521 5.373 -0.093 -6.871 379 HB1 ALA 521 HB1 ALA 521 4.930 1.430 -8.777 380 HB2 ALA 521 HB2 ALA 521 3.525 0.471 -8.305 381 HB3 ALA 521 HB3 ALA 521 4.453 0.032 -9.740 382 H ILE 522 HN ILE 522 4.363 -1.694 -5.998 383 HA ILE 522 HA ILE 522 4.268 -4.252 -7.431 384 HB ILE 522 HB ILE 522 4.199 -3.612 -4.484 385 HG12 ILE 522 HG12 ILE 522 6.256 -5.154 -6.064 386 HG13 ILE 522 HG11 ILE 522 6.386 -3.440 -5.708 387 HG21 ILE 522 HG21 ILE 522 2.788 -5.548 -4.946 388 HG22 ILE 522 HG22 ILE 522 4.266 -6.035 -4.114 389 HG23 ILE 522 HG23 ILE 522 4.105 -6.297 -5.850 390 HD11 ILE 522 HD11 ILE 522 7.687 -4.917 -4.193 391 HD12 ILE 522 HD12 ILE 522 6.156 -5.565 -3.603 392 HD13 ILE 522 HD13 ILE 522 6.541 -3.860 -3.372 393 H GLU 523 HN GLU 523 2.369 -4.539 -8.382 394 HA GLU 523 HA GLU 523 -0.099 -3.404 -7.442 395 HB2 GLU 523 HB2 GLU 523 0.163 -3.650 -9.772 396 HB3 GLU 523 HB1 GLU 523 0.661 -5.320 -9.641 397 HG2 GLU 523 HG2 GLU 523 -1.706 -5.751 -8.741 398 HG3 GLU 523 HG1 GLU 523 -2.079 -4.132 -9.341 399 H PHE 524 HN PHE 524 -1.475 -4.281 -6.020 400 HA PHE 524 HA PHE 524 -1.655 -7.172 -5.705 401 HB2 PHE 524 HB2 PHE 524 -1.496 -7.069 -3.246 402 HB3 PHE 524 HB1 PHE 524 0.001 -6.525 -3.998 403 HD1 PHE 524 HD2 PHE 524 0.537 -4.088 -4.038 404 HD2 PHE 524 HD1 PHE 524 -2.764 -5.665 -1.863 405 HE1 PHE 524 HE2 PHE 524 0.426 -2.021 -2.715 406 HE2 PHE 524 HE1 PHE 524 -2.874 -3.600 -0.529 407 HZ PHE 524 HZ PHE 524 -1.276 -1.775 -0.955 408 H SER 525 HN SER 525 -3.701 -7.840 -5.138 409 HA SER 525 HA SER 525 -5.767 -5.801 -5.206 410 HB2 SER 525 HB2 SER 525 -6.023 -8.817 -5.113 411 HB3 SER 525 HB1 SER 525 -7.323 -7.672 -5.443 412 HG SER 525 HG SER 525 -5.442 -8.681 -7.120 413 H PHE 526 HN PHE 526 -7.246 -5.391 -3.506 414 HA PHE 526 HA PHE 526 -6.408 -6.573 -0.940 415 HB2 PHE 526 HB2 PHE 526 -5.384 -4.266 -1.412 416 HB3 PHE 526 HB1 PHE 526 -7.016 -3.636 -1.262 417 HD1 PHE 526 HD1 PHE 526 -8.175 -3.682 0.875 418 HD2 PHE 526 HD2 PHE 526 -4.153 -4.998 0.500 419 HE1 PHE 526 HE1 PHE 526 -7.907 -3.546 3.316 420 HE2 PHE 526 HE2 PHE 526 -3.877 -4.873 2.940 421 HZ PHE 526 HZ PHE 526 -5.745 -4.149 4.349 422 H ASP 527 HN ASP 527 -8.103 -7.582 -0.167 423 HA ASP 527 HA ASP 527 -10.777 -6.512 -0.506 424 HB2 ASP 527 HB2 ASP 527 -10.214 -8.987 -0.443 425 HB3 ASP 527 HB1 ASP 527 -9.907 -8.786 1.274 426 H LEU 528 HN LEU 528 -11.385 -4.873 0.712 427 HA LEU 528 HA LEU 528 -9.807 -3.858 2.794 428 HB2 LEU 528 HB2 LEU 528 -12.636 -3.220 1.992 429 HB3 LEU 528 HB1 LEU 528 -11.659 -2.254 3.076 430 HG LEU 528 HG LEU 528 -10.878 -2.823 0.222 431 HD11 LEU 528 HD11 LEU 528 -12.978 -1.582 0.274 432 HD12 LEU 528 HD12 LEU 528 -11.647 -0.567 -0.285 433 HD13 LEU 528 HD13 LEU 528 -12.254 -0.398 1.362 434 HD21 LEU 528 HD21 LEU 528 -9.913 -0.745 2.180 435 HD22 LEU 528 HD22 LEU 528 -9.324 -0.995 0.534 436 HD23 LEU 528 HD23 LEU 528 -9.053 -2.228 1.764 437 H GLU 529 HN GLU 529 -12.183 -6.298 2.852 438 HA GLU 529 HA GLU 529 -12.641 -5.883 5.712 439 HB2 GLU 529 HB2 GLU 529 -14.025 -7.718 3.758 440 HB3 GLU 529 HB1 GLU 529 -14.434 -7.554 5.461 441 HG2 GLU 529 HG2 GLU 529 -14.616 -5.420 3.357 442 HG3 GLU 529 HG1 GLU 529 -15.960 -6.269 4.116 443 H ARG 530 HN ARG 530 -11.528 -8.347 3.403 444 HA ARG 530 HA ARG 530 -10.862 -10.152 5.570 445 HB2 ARG 530 HB2 ARG 530 -10.625 -10.368 2.578 446 HB3 ARG 530 HB1 ARG 530 -10.092 -11.618 3.682 447 HG2 ARG 530 HG2 ARG 530 -12.395 -11.796 4.548 448 HG3 ARG 530 HG1 ARG 530 -12.896 -10.602 3.351 449 HD2 ARG 530 HD2 ARG 530 -12.207 -12.062 1.550 450 HD3 ARG 530 HD1 ARG 530 -11.585 -13.235 2.708 451 HE ARG 530 HE ARG 530 -14.341 -12.716 3.154 452 HH11 ARG 530 HH11 ARG 530 -12.137 -14.413 1.038 453 HH12 ARG 530 HH12 ARG 530 -13.281 -15.651 0.623 454 HH21 ARG 530 HH21 ARG 530 -15.866 -14.344 2.600 455 HH22 ARG 530 HH22 ARG 530 -15.395 -15.617 1.521 456 H ASP 531 HN ASP 531 -9.150 -8.194 3.168 457 HA ASP 531 HA ASP 531 -6.617 -9.385 3.762 458 HB2 ASP 531 HB2 ASP 531 -7.523 -7.168 1.989 459 HB3 ASP 531 HB1 ASP 531 -5.821 -7.238 2.435 460 H VAL 532 HN VAL 532 -5.024 -8.720 4.989 461 HA VAL 532 HA VAL 532 -5.347 -6.238 6.544 462 HB VAL 532 HB VAL 532 -3.809 -8.751 7.264 463 HG11 VAL 532 HG11 VAL 532 -4.226 -6.221 8.854 464 HG12 VAL 532 HG12 VAL 532 -2.711 -6.745 8.120 465 HG13 VAL 532 HG13 VAL 532 -3.428 -7.684 9.431 466 HG21 VAL 532 HG21 VAL 532 -6.353 -7.597 8.389 467 HG22 VAL 532 HG22 VAL 532 -5.474 -8.969 9.066 468 HG23 VAL 532 HG23 VAL 532 -6.193 -9.088 7.461 469 HA PRO 533 HA PRO 533 -2.112 -4.783 3.951 470 HB2 PRO 533 HB2 PRO 533 -1.507 -2.910 6.151 471 HB3 PRO 533 HB1 PRO 533 -1.971 -2.590 4.481 472 HG2 PRO 533 HG2 PRO 533 -3.682 -2.189 6.498 473 HG3 PRO 533 HG1 PRO 533 -4.229 -2.788 4.923 474 HD2 PRO 533 HD2 PRO 533 -3.769 -4.281 7.472 475 HD3 PRO 533 HD1 PRO 533 -5.064 -4.469 6.274 476 H GLU 534 HN GLU 534 -1.385 -5.203 7.397 477 HA GLU 534 HA GLU 534 1.386 -5.486 7.123 478 HB2 GLU 534 HB2 GLU 534 -0.475 -6.696 9.166 479 HB3 GLU 534 HB1 GLU 534 1.276 -6.657 9.294 480 HG2 GLU 534 HG2 GLU 534 0.819 -4.819 10.510 481 HG3 GLU 534 HG1 GLU 534 0.866 -4.068 8.923 482 H ASP 535 HN ASP 535 -1.249 -7.792 6.769 483 HA ASP 535 HA ASP 535 0.423 -10.091 6.547 484 HB2 ASP 535 HB2 ASP 535 -2.027 -10.163 7.112 485 HB3 ASP 535 HB1 ASP 535 -2.368 -9.751 5.437 486 H VAL 536 HN VAL 536 -1.123 -7.905 4.239 487 HA VAL 536 HA VAL 536 -0.305 -9.120 1.860 488 HB VAL 536 HB VAL 536 -0.571 -6.152 2.404 489 HG11 VAL 536 HG11 VAL 536 0.706 -6.668 0.369 490 HG12 VAL 536 HG12 VAL 536 -0.847 -5.912 0.005 491 HG13 VAL 536 HG13 VAL 536 -0.638 -7.651 -0.211 492 HG21 VAL 536 HG21 VAL 536 -2.607 -7.496 2.893 493 HG22 VAL 536 HG22 VAL 536 -2.595 -8.041 1.211 494 HG23 VAL 536 HG23 VAL 536 -2.814 -6.329 1.584 495 H ALA 537 HN ALA 537 1.306 -6.612 3.795 496 HA ALA 537 HA ALA 537 3.618 -6.429 2.196 497 HB1 ALA 537 HB1 ALA 537 4.611 -5.244 4.051 498 HB2 ALA 537 HB2 ALA 537 3.364 -5.848 5.142 499 HB3 ALA 537 HB3 ALA 537 2.936 -4.730 3.846 500 H GLN 538 HN GLN 538 2.589 -8.809 4.427 501 HA GLN 538 HA GLN 538 5.212 -9.869 4.915 502 HB2 GLN 538 HB2 GLN 538 3.714 -10.211 6.687 503 HB3 GLN 538 HB1 GLN 538 2.406 -10.672 5.614 504 HG2 GLN 538 HG2 GLN 538 3.064 -12.613 6.743 505 HG3 GLN 538 HG1 GLN 538 3.681 -12.744 5.104 506 HE21 GLN 538 HE21 GLN 538 5.996 -11.170 5.371 507 HE22 GLN 538 HE22 GLN 538 7.081 -11.979 6.433 508 H GLU 539 HN GLU 539 2.360 -10.652 2.953 509 HA GLU 539 HA GLU 539 3.356 -12.891 1.592 510 HB2 GLU 539 HB2 GLU 539 1.743 -10.729 0.240 511 HB3 GLU 539 HB1 GLU 539 1.738 -12.450 -0.093 512 HG2 GLU 539 HG2 GLU 539 0.628 -12.846 2.055 513 HG3 GLU 539 HG1 GLU 539 0.610 -11.108 2.349 514 H MET 540 HN MET 540 3.684 -9.457 1.049 515 HA MET 540 HA MET 540 5.091 -9.376 -1.314 516 HB2 MET 540 HB2 MET 540 5.129 -7.615 1.115 517 HB3 MET 540 HB1 MET 540 6.086 -7.245 -0.317 518 HG2 MET 540 HG2 MET 540 4.089 -7.212 -1.678 519 HG3 MET 540 HG1 MET 540 3.111 -7.643 -0.278 520 HE1 MET 540 HE1 MET 540 1.611 -5.577 -1.090 521 HE2 MET 540 HE2 MET 540 2.792 -5.220 -2.346 522 HE3 MET 540 HE3 MET 540 2.236 -3.936 -1.267 523 H VAL 541 HN VAL 541 6.308 -9.807 1.973 524 HA VAL 541 HA VAL 541 9.055 -9.861 1.257 525 HB VAL 541 HB VAL 541 7.722 -11.077 3.683 526 HG11 VAL 541 HG11 VAL 541 9.975 -11.941 3.309 527 HG12 VAL 541 HG12 VAL 541 9.923 -10.899 4.730 528 HG13 VAL 541 HG13 VAL 541 10.598 -10.294 3.218 529 HG21 VAL 541 HG21 VAL 541 8.305 -9.006 4.826 530 HG22 VAL 541 HG22 VAL 541 7.244 -8.687 3.451 531 HG23 VAL 541 HG23 VAL 541 8.972 -8.357 3.327 532 H GLU 542 HN GLU 542 6.655 -12.396 1.861 533 HA GLU 542 HA GLU 542 8.424 -14.576 1.669 534 HB2 GLU 542 HB2 GLU 542 5.465 -14.538 1.080 535 HB3 GLU 542 HB1 GLU 542 6.432 -15.948 1.485 536 HG2 GLU 542 HG2 GLU 542 6.857 -15.039 3.704 537 HG3 GLU 542 HG1 GLU 542 5.917 -13.604 3.300 538 H SER 543 HN SER 543 6.584 -12.828 -0.764 539 HA SER 543 HA SER 543 7.233 -14.811 -2.772 540 HB2 SER 543 HB2 SER 543 5.700 -12.218 -3.015 541 HB3 SER 543 HB1 SER 543 5.840 -13.449 -4.270 542 HG SER 543 HG SER 543 5.033 -14.764 -2.197 543 H GLY 544 HN GLY 544 9.029 -12.492 -1.425 544 HA2 GLY 544 HA2 GLY 544 11.201 -11.987 -2.106 545 HA3 GLY 544 HA1 GLY 544 10.794 -12.519 -3.726 546 H TYR 545 HN TYR 545 8.512 -10.312 -2.559 547 HA TYR 545 HA TYR 545 9.480 -8.288 -4.386 548 HB2 TYR 545 HB2 TYR 545 7.062 -8.366 -2.574 549 HB3 TYR 545 HB1 TYR 545 7.429 -7.049 -3.675 550 HD1 TYR 545 HD2 TYR 545 7.581 -7.620 -6.181 551 HD2 TYR 545 HD1 TYR 545 5.815 -10.194 -3.292 552 HE1 TYR 545 HE2 TYR 545 6.346 -8.772 -7.970 553 HE2 TYR 545 HE1 TYR 545 4.574 -11.351 -5.072 554 HH TYR 545 HH TYR 545 3.760 -10.844 -7.374 555 H VAL 546 HN VAL 546 8.716 -8.440 -0.927 556 HA VAL 546 HA VAL 546 10.231 -5.948 -0.534 557 HB VAL 546 HB VAL 546 7.886 -7.077 1.007 558 HG11 VAL 546 HG11 VAL 546 9.394 -4.545 1.618 559 HG12 VAL 546 HG12 VAL 546 9.520 -6.044 2.538 560 HG13 VAL 546 HG13 VAL 546 7.985 -5.180 2.470 561 HG21 VAL 546 HG21 VAL 546 6.715 -5.105 0.255 562 HG22 VAL 546 HG22 VAL 546 7.394 -5.945 -1.139 563 HG23 VAL 546 HG23 VAL 546 8.177 -4.493 -0.518 564 H CYS 547 HN CYS 547 11.636 -5.780 1.214 565 HA CYS 547 HA CYS 547 12.667 -8.277 2.258 566 HB2 CYS 547 HB2 CYS 547 14.243 -6.546 1.526 567 HB3 CYS 547 HB1 CYS 547 13.559 -5.415 2.689 568 HG CYS 547 HG CYS 547 15.168 -8.316 3.550 569 H GLU 548 HN GLU 548 12.658 -8.871 4.397 570 HA GLU 548 HA GLU 548 10.270 -8.334 5.759 571 HB2 GLU 548 HB2 GLU 548 11.226 -9.727 7.565 572 HB3 GLU 548 HB1 GLU 548 11.377 -10.464 5.979 573 HG2 GLU 548 HG2 GLU 548 13.697 -9.862 5.858 574 HG3 GLU 548 HG1 GLU 548 13.578 -8.962 7.370 575 H GLY 549 HN GLY 549 13.300 -6.703 5.886 576 HA2 GLY 549 HA2 GLY 549 12.968 -5.641 8.541 577 HA3 GLY 549 HA1 GLY 549 14.157 -5.129 7.354 578 H ASP 550 HN ASP 550 11.736 -4.839 5.451 579 HA ASP 550 HA ASP 550 10.859 -2.234 6.499 580 HB2 ASP 550 HB2 ASP 550 11.660 -3.051 3.729 581 HB3 ASP 550 HB1 ASP 550 10.521 -1.729 3.957 582 H HIS 551 HN HIS 551 9.731 -4.921 6.769 583 HA HIS 551 HA HIS 551 7.392 -5.287 5.283 584 HB2 HIS 551 HB2 HIS 551 8.178 -7.034 6.725 585 HB3 HIS 551 HB1 HIS 551 8.136 -5.986 8.135 586 HD1 HIS 551 HD1 HIS 551 6.015 -5.960 9.484 587 HD2 HIS 551 HD2 HIS 551 5.575 -7.884 5.823 588 HE1 HIS 551 HE1 HIS 551 3.726 -6.992 9.532 589 HE2 HIS 551 HE2 HIS 551 3.432 -8.045 7.268 590 H LYS 552 HN LYS 552 7.990 -3.423 8.243 591 HA LYS 552 HA LYS 552 5.312 -2.619 8.672 592 HB2 LYS 552 HB2 LYS 552 7.905 -1.353 9.560 593 HB3 LYS 552 HB1 LYS 552 6.318 -0.884 10.146 594 HG2 LYS 552 HG2 LYS 552 5.991 -3.058 11.130 595 HG3 LYS 552 HG1 LYS 552 7.516 -3.627 10.450 596 HD2 LYS 552 HD2 LYS 552 7.776 -3.055 12.806 597 HD3 LYS 552 HD1 LYS 552 8.727 -1.973 11.790 598 HE2 LYS 552 HE2 LYS 552 6.976 -0.271 11.969 599 HE3 LYS 552 HE1 LYS 552 6.023 -1.356 12.978 600 HZ1 LYS 552 HZ1 LYS 552 7.216 0.227 14.322 601 HZ2 LYS 552 HZ2 LYS 552 8.691 -0.240 13.642 602 HZ3 LYS 552 HZ3 LYS 552 7.824 -1.324 14.606 603 H THR 553 HN THR 553 8.030 -1.138 6.989 604 HA THR 553 HA THR 553 6.967 1.372 6.461 605 HB THR 553 HB THR 553 8.749 -0.209 4.598 606 HG1 THR 553 HG1 THR 553 10.461 0.448 5.862 607 HG21 THR 553 HG21 THR 553 9.648 2.001 4.018 608 HG22 THR 553 HG22 THR 553 8.476 2.756 5.098 609 HG23 THR 553 HG23 THR 553 7.924 1.887 3.665 610 H MET 554 HN MET 554 6.739 -1.624 4.590 611 HA MET 554 HA MET 554 5.287 -0.499 2.432 612 HB2 MET 554 HB2 MET 554 5.452 -3.375 3.334 613 HB3 MET 554 HB1 MET 554 4.891 -2.820 1.765 614 HG2 MET 554 HG2 MET 554 7.660 -2.561 2.891 615 HG3 MET 554 HG1 MET 554 7.138 -3.596 1.562 616 HE1 MET 554 HE1 MET 554 9.578 -1.397 1.609 617 HE2 MET 554 HE2 MET 554 9.430 -0.813 -0.050 618 HE3 MET 554 HE3 MET 554 9.270 -2.534 0.297 619 H ALA 555 HN ALA 555 4.315 -2.433 5.236 620 HA ALA 555 HA ALA 555 1.578 -2.584 4.646 621 HB1 ALA 555 HB1 ALA 555 1.285 -3.195 6.978 622 HB2 ALA 555 HB2 ALA 555 2.878 -2.548 7.375 623 HB3 ALA 555 HB3 ALA 555 2.736 -3.971 6.339 624 H LYS 556 HN LYS 556 3.489 -0.100 6.194 625 HA LYS 556 HA LYS 556 1.338 1.400 7.263 626 HB2 LYS 556 HB2 LYS 556 3.847 1.549 7.807 627 HB3 LYS 556 HB1 LYS 556 3.991 2.526 6.355 628 HG2 LYS 556 HG2 LYS 556 2.184 3.212 8.664 629 HG3 LYS 556 HG1 LYS 556 3.831 3.815 8.485 630 HD2 LYS 556 HD2 LYS 556 3.203 4.864 6.358 631 HD3 LYS 556 HD1 LYS 556 1.555 4.262 6.552 632 HE2 LYS 556 HE2 LYS 556 1.315 5.571 8.599 633 HE3 LYS 556 HE1 LYS 556 2.970 6.153 8.430 634 HZ1 LYS 556 HZ1 LYS 556 2.338 7.215 6.347 635 HZ2 LYS 556 HZ2 LYS 556 1.395 7.780 7.628 636 HZ3 LYS 556 HZ3 LYS 556 0.744 6.675 6.530 637 H ALA 557 HN ALA 557 3.153 1.568 4.221 638 HA ALA 557 HA ALA 557 1.828 3.741 3.063 639 HB1 ALA 557 HB1 ALA 557 2.630 2.929 0.950 640 HB2 ALA 557 HB2 ALA 557 2.840 1.303 1.601 641 HB3 ALA 557 HB3 ALA 557 3.875 2.614 2.159 642 H ILE 558 HN ILE 558 1.123 0.289 2.980 643 HA ILE 558 HA ILE 558 -1.176 0.396 1.371 644 HB ILE 558 HB ILE 558 -0.639 -1.581 3.590 645 HG12 ILE 558 HG12 ILE 558 0.290 -1.702 0.720 646 HG13 ILE 558 HG11 ILE 558 1.316 -1.319 2.086 647 HG21 ILE 558 HG21 ILE 558 -1.896 -3.121 2.134 648 HG22 ILE 558 HG22 ILE 558 -2.206 -1.786 1.026 649 HG23 ILE 558 HG23 ILE 558 -2.867 -1.745 2.661 650 HD11 ILE 558 HD11 ILE 558 0.891 -3.536 3.014 651 HD12 ILE 558 HD12 ILE 558 1.611 -3.611 1.407 652 HD13 ILE 558 HD13 ILE 558 -0.115 -3.917 1.617 653 H LYS 559 HN LYS 559 -0.744 0.481 4.883 654 HA LYS 559 HA LYS 559 -3.474 0.472 5.565 655 HB2 LYS 559 HB2 LYS 559 -1.520 -0.028 7.087 656 HB3 LYS 559 HB1 LYS 559 -1.223 1.701 7.160 657 HG2 LYS 559 HG2 LYS 559 -3.396 2.071 8.162 658 HG3 LYS 559 HG1 LYS 559 -3.772 0.354 8.029 659 HD2 LYS 559 HD2 LYS 559 -1.482 1.492 9.629 660 HD3 LYS 559 HD1 LYS 559 -3.046 1.040 10.303 661 HE2 LYS 559 HE2 LYS 559 -1.145 -0.823 8.881 662 HE3 LYS 559 HE1 LYS 559 -1.350 -0.711 10.627 663 HZ1 LYS 559 HZ1 LYS 559 -3.565 -1.505 10.450 664 HZ2 LYS 559 HZ2 LYS 559 -2.591 -2.558 9.540 665 HZ3 LYS 559 HZ3 LYS 559 -3.549 -1.399 8.763 666 H ASP 560 HN ASP 560 -1.198 3.084 4.904 667 HA ASP 560 HA ASP 560 -2.816 5.212 5.788 668 HB2 ASP 560 HB2 ASP 560 -0.330 5.269 5.217 669 HB3 ASP 560 HB1 ASP 560 -0.834 5.400 3.536 670 H ARG 561 HN ARG 561 -2.500 3.617 2.662 671 HA ARG 561 HA ARG 561 -4.328 5.357 1.332 672 HB2 ARG 561 HB2 ARG 561 -2.608 4.123 0.094 673 HB3 ARG 561 HB1 ARG 561 -3.342 2.601 0.569 674 HG2 ARG 561 HG2 ARG 561 -3.864 3.315 -1.758 675 HG3 ARG 561 HG1 ARG 561 -5.278 3.037 -0.741 676 HD2 ARG 561 HD2 ARG 561 -5.532 5.405 -0.369 677 HD3 ARG 561 HD1 ARG 561 -4.057 5.739 -1.278 678 HE ARG 561 HE ARG 561 -6.595 4.763 -2.421 679 HH11 ARG 561 HH11 ARG 561 -3.452 6.243 -2.839 680 HH12 ARG 561 HH12 ARG 561 -3.833 6.909 -4.395 681 HH21 ARG 561 HH21 ARG 561 -7.087 5.636 -4.483 682 HH22 ARG 561 HH22 ARG 561 -5.880 6.543 -5.342 683 H VAL 562 HN VAL 562 -4.570 2.101 2.743 684 HA VAL 562 HA VAL 562 -7.223 1.598 2.017 685 HB VAL 562 HB VAL 562 -5.647 0.614 4.402 686 HG11 VAL 562 HG11 VAL 562 -7.992 0.380 4.899 687 HG12 VAL 562 HG12 VAL 562 -7.330 -1.203 4.496 688 HG13 VAL 562 HG13 VAL 562 -8.292 -0.321 3.310 689 HG21 VAL 562 HG21 VAL 562 -6.296 -0.727 1.779 690 HG22 VAL 562 HG22 VAL 562 -5.315 -1.390 3.089 691 HG23 VAL 562 HG23 VAL 562 -4.747 0.017 2.187 692 H SER 563 HN SER 563 -5.851 3.326 4.758 693 HA SER 563 HA SER 563 -8.117 3.634 6.333 694 HB2 SER 563 HB2 SER 563 -5.816 4.297 6.998 695 HB3 SER 563 HB1 SER 563 -5.913 5.664 5.890 696 HG SER 563 HG SER 563 -6.849 6.704 7.436 697 H LEU 564 HN LEU 564 -6.935 5.724 3.690 698 HA LEU 564 HA LEU 564 -9.158 7.490 3.893 699 HB2 LEU 564 HB2 LEU 564 -8.288 8.580 1.932 700 HB3 LEU 564 HB1 LEU 564 -6.988 8.230 3.042 701 HG LEU 564 HG LEU 564 -6.762 6.092 1.492 702 HD11 LEU 564 HD11 LEU 564 -8.628 6.661 0.050 703 HD12 LEU 564 HD12 LEU 564 -7.114 6.724 -0.852 704 HD13 LEU 564 HD13 LEU 564 -7.887 8.217 -0.323 705 HD21 LEU 564 HD21 LEU 564 -5.683 8.840 0.892 706 HD22 LEU 564 HD22 LEU 564 -5.028 7.334 0.252 707 HD23 LEU 564 HD23 LEU 564 -4.980 7.649 1.986 708 H ILE 565 HN ILE 565 -8.332 4.772 1.832 709 HA ILE 565 HA ILE 565 -10.452 4.800 0.048 710 HB ILE 565 HB ILE 565 -8.947 2.525 1.294 711 HG12 ILE 565 HG12 ILE 565 -8.950 3.652 -1.496 712 HG13 ILE 565 HG11 ILE 565 -7.805 4.094 -0.243 713 HG21 ILE 565 HG21 ILE 565 -10.999 2.350 -0.911 714 HG22 ILE 565 HG22 ILE 565 -11.149 1.666 0.710 715 HG23 ILE 565 HG23 ILE 565 -9.924 1.047 -0.398 716 HD11 ILE 565 HD11 ILE 565 -6.903 2.459 -1.803 717 HD12 ILE 565 HD12 ILE 565 -8.181 1.335 -1.339 718 HD13 ILE 565 HD13 ILE 565 -6.980 1.845 -0.152 719 H LYS 566 HN LYS 566 -10.306 3.098 3.166 720 HA LYS 566 HA LYS 566 -12.976 2.207 3.188 721 HB2 LYS 566 HB2 LYS 566 -10.999 2.763 5.394 722 HB3 LYS 566 HB1 LYS 566 -12.621 2.190 5.735 723 HG2 LYS 566 HG2 LYS 566 -12.186 0.168 4.423 724 HG3 LYS 566 HG1 LYS 566 -10.552 0.750 4.086 725 HD2 LYS 566 HD2 LYS 566 -9.894 0.560 6.322 726 HD3 LYS 566 HD1 LYS 566 -11.556 0.484 6.898 727 HE2 LYS 566 HE2 LYS 566 -10.630 -1.685 7.102 728 HE3 LYS 566 HE1 LYS 566 -11.757 -1.738 5.753 729 HZ1 LYS 566 HZ1 LYS 566 -9.787 -2.924 5.209 730 HZ2 LYS 566 HZ2 LYS 566 -8.804 -1.614 5.633 731 HZ3 LYS 566 HZ3 LYS 566 -9.814 -1.508 4.279 732 H ARG 567 HN ARG 567 -11.538 5.252 4.221 733 HA ARG 567 HA ARG 567 -13.887 6.237 5.496 734 HB2 ARG 567 HB2 ARG 567 -11.318 6.976 5.588 735 HB3 ARG 567 HB1 ARG 567 -11.851 8.096 4.344 736 HG2 ARG 567 HG2 ARG 567 -13.111 7.851 7.065 737 HG3 ARG 567 HG1 ARG 567 -11.882 9.040 6.627 738 HD2 ARG 567 HD2 ARG 567 -13.329 10.056 5.037 739 HD3 ARG 567 HD1 ARG 567 -14.502 8.749 5.185 740 HE ARG 567 HE ARG 567 -13.894 10.489 7.477 741 HH11 ARG 567 HH11 ARG 567 -16.169 9.194 5.157 742 HH12 ARG 567 HH12 ARG 567 -17.565 9.795 5.997 743 HH21 ARG 567 HH21 ARG 567 -15.726 11.293 8.574 744 HH22 ARG 567 HH22 ARG 567 -17.312 10.975 7.947 745 H LYS 568 HN LYS 568 -12.553 6.401 2.246 746 HA LYS 568 HA LYS 568 -14.431 8.217 1.155 747 HB2 LYS 568 HB2 LYS 568 -12.723 6.062 -0.078 748 HB3 LYS 568 HB1 LYS 568 -13.784 7.085 -1.035 749 HG2 LYS 568 HG2 LYS 568 -12.576 9.045 -0.402 750 HG3 LYS 568 HG1 LYS 568 -11.608 8.131 0.757 751 HD2 LYS 568 HD2 LYS 568 -10.382 8.590 -1.329 752 HD3 LYS 568 HD1 LYS 568 -10.595 6.863 -1.045 753 HE2 LYS 568 HE2 LYS 568 -10.989 7.467 -3.387 754 HE3 LYS 568 HE1 LYS 568 -12.433 6.804 -2.626 755 HZ1 LYS 568 HZ1 LYS 568 -13.337 8.996 -2.407 756 HZ2 LYS 568 HZ2 LYS 568 -12.857 8.780 -4.019 757 HZ3 LYS 568 HZ3 LYS 568 -11.905 9.704 -2.966 758 H ARG 569 HN ARG 569 -14.490 4.802 1.795 759 HA ARG 569 HA ARG 569 -16.805 4.126 0.332 760 HB2 ARG 569 HB2 ARG 569 -15.597 2.929 2.814 761 HB3 ARG 569 HB1 ARG 569 -16.952 2.219 1.954 762 HG2 ARG 569 HG2 ARG 569 -15.372 2.359 -0.102 763 HG3 ARG 569 HG1 ARG 569 -14.107 2.465 1.127 764 HD2 ARG 569 HD2 ARG 569 -16.131 0.274 0.761 765 HD3 ARG 569 HD1 ARG 569 -14.392 0.178 0.531 766 HE ARG 569 HE ARG 569 -14.989 0.969 3.181 767 HH11 ARG 569 HH11 ARG 569 -15.012 -1.833 1.085 768 HH12 ARG 569 HH12 ARG 569 -14.886 -2.968 2.395 769 HH21 ARG 569 HH21 ARG 569 -14.829 -0.510 4.908 770 HH22 ARG 569 HH22 ARG 569 -14.759 -2.223 4.579 771 H GLU 570 HN GLU 570 -16.288 5.783 3.306 772 HA GLU 570 HA GLU 570 -19.030 5.529 4.218 773 HB2 GLU 570 HB2 GLU 570 -16.974 7.441 5.309 774 HB3 GLU 570 HB1 GLU 570 -18.342 6.720 6.142 775 HG2 GLU 570 HG2 GLU 570 -17.220 4.532 6.022 776 HG3 GLU 570 HG1 GLU 570 -15.841 5.303 5.255 777 H GLN 571 HN GLN 571 -17.356 7.359 2.003 778 HA GLN 571 HA GLN 571 -18.992 9.763 2.360 779 HB2 GLN 571 HB2 GLN 571 -16.589 10.143 2.230 780 HB3 GLN 571 HB1 GLN 571 -16.506 9.266 0.710 781 HG2 GLN 571 HG2 GLN 571 -17.888 10.987 -0.351 782 HG3 GLN 571 HG1 GLN 571 -17.946 11.869 1.175 783 HE21 GLN 571 HE21 GLN 571 -15.931 10.861 -1.476 784 HE22 GLN 571 HE22 GLN 571 -14.646 11.984 -1.192 785 H ARG 572 HN ARG 572 -20.916 8.972 1.505 786 HA ARG 572 HA ARG 572 -20.919 8.828 -1.414 787 HB2 ARG 572 HB2 ARG 572 -21.088 6.515 -0.547 788 HB3 ARG 572 HB1 ARG 572 -22.511 6.981 0.377 789 HG2 ARG 572 HG2 ARG 572 -23.720 7.460 -1.649 790 HG3 ARG 572 HG1 ARG 572 -22.287 7.124 -2.617 791 HD2 ARG 572 HD2 ARG 572 -22.315 4.797 -1.798 792 HD3 ARG 572 HD1 ARG 572 -23.795 5.151 -0.904 793 HE ARG 572 HE ARG 572 -24.246 5.875 -3.546 794 HH11 ARG 572 HH11 ARG 572 -23.567 2.929 -1.754 795 HH12 ARG 572 HH12 ARG 572 -24.428 1.918 -2.877 796 HH21 ARG 572 HH21 ARG 572 -25.345 4.530 -5.016 797 HH22 ARG 572 HH22 ARG 572 -25.428 2.822 -4.727 Start of MODEL 8 1 H1 GLY 475 HT1 GLY 475 6.339 15.972 -2.909 2 H2 GLY 475 HT2 GLY 475 6.012 14.315 -2.912 3 H3 GLY 475 HT3 GLY 475 7.610 14.860 -2.987 4 HA2 GLY 475 HA1 GLY 475 7.104 14.065 -0.776 5 HA3 GLY 475 HA2 GLY 475 7.442 15.789 -0.775 6 H ALA 476 HN ALA 476 6.227 15.303 1.362 7 HA ALA 476 HA ALA 476 3.336 15.179 1.032 8 HB1 ALA 476 HB1 ALA 476 4.432 13.841 2.784 9 HB2 ALA 476 HB2 ALA 476 3.248 14.969 3.440 10 HB3 ALA 476 HB3 ALA 476 4.970 15.329 3.559 11 H MET 477 HN MET 477 5.840 17.440 1.873 12 HA MET 477 HA MET 477 5.902 19.685 2.119 13 HB2 MET 477 HB2 MET 477 4.492 19.847 0.145 14 HB3 MET 477 HB1 MET 477 3.051 19.596 1.121 15 HG2 MET 477 HG2 MET 477 3.355 21.942 0.519 16 HG3 MET 477 HG1 MET 477 3.417 21.695 2.264 17 HE1 MET 477 HE1 MET 477 4.476 24.068 2.629 18 HE2 MET 477 HE2 MET 477 4.419 24.378 0.894 19 HE3 MET 477 HE3 MET 477 5.913 24.652 1.790 20 H ASP 478 HN ASP 478 2.502 19.085 3.061 21 HA ASP 478 HA ASP 478 2.964 20.491 5.551 22 HB2 ASP 478 HB2 ASP 478 0.593 20.217 5.972 23 HB3 ASP 478 HB1 ASP 478 0.822 20.762 4.317 24 HA PRO 479 HA PRO 479 4.497 17.240 8.010 25 HB2 PRO 479 HB2 PRO 479 2.608 18.409 10.011 26 HB3 PRO 479 HB1 PRO 479 4.312 17.971 10.200 27 HG2 PRO 479 HG2 PRO 479 3.645 20.498 9.873 28 HG3 PRO 479 HG1 PRO 479 5.045 19.837 9.004 29 HD2 PRO 479 HD2 PRO 479 2.313 20.475 7.987 30 HD3 PRO 479 HD1 PRO 479 3.885 20.650 7.188 31 H GLN 480 HN GLN 480 3.271 15.643 6.705 32 HA GLN 480 HA GLN 480 1.250 14.325 8.402 33 HB2 GLN 480 HB2 GLN 480 0.418 15.090 6.175 34 HB3 GLN 480 HB1 GLN 480 1.610 14.050 5.414 35 HG2 GLN 480 HG2 GLN 480 -0.544 12.988 5.379 36 HG3 GLN 480 HG1 GLN 480 0.541 12.096 6.443 37 HE21 GLN 480 HE21 GLN 480 -2.231 14.178 6.263 38 HE22 GLN 480 HE22 GLN 480 -2.797 13.899 7.876 39 H GLU 481 HN GLU 481 4.364 14.266 7.269 40 HA GLU 481 HA GLU 481 6.064 12.793 7.159 41 HB2 GLU 481 HB2 GLU 481 5.441 12.487 9.543 42 HB3 GLU 481 HB1 GLU 481 4.384 11.163 9.074 43 HG2 GLU 481 HG2 GLU 481 6.367 9.985 8.152 44 HG3 GLU 481 HG1 GLU 481 7.378 11.276 8.798 45 H GLU 482 HN GLU 482 5.467 12.411 4.910 46 HA GLU 482 HA GLU 482 4.008 9.964 4.378 47 HB2 GLU 482 HB2 GLU 482 3.716 11.937 2.897 48 HB3 GLU 482 HB1 GLU 482 5.401 11.793 2.412 49 HG2 GLU 482 HG2 GLU 482 5.009 9.714 1.342 50 HG3 GLU 482 HG1 GLU 482 3.401 9.579 2.050 51 H THR 483 HN THR 483 4.939 8.122 4.556 52 HA THR 483 HA THR 483 7.666 7.601 4.835 53 HB THR 483 HB THR 483 5.671 5.583 3.819 54 HG1 THR 483 HG1 THR 483 5.893 6.341 6.550 55 HG21 THR 483 HG21 THR 483 6.840 4.074 5.326 56 HG22 THR 483 HG22 THR 483 7.848 5.401 5.903 57 HG23 THR 483 HG23 THR 483 7.991 4.847 4.234 58 H GLY 484 HN GLY 484 9.014 6.234 3.355 59 HA2 GLY 484 HA2 GLY 484 9.034 7.284 0.685 60 HA3 GLY 484 HA1 GLY 484 10.121 6.059 1.327 61 H VAL 485 HN VAL 485 6.651 5.861 1.307 62 HA VAL 485 HA VAL 485 6.480 4.238 -1.063 63 HB VAL 485 HB VAL 485 5.104 2.543 0.386 64 HG11 VAL 485 HG11 VAL 485 7.005 1.925 -0.984 65 HG12 VAL 485 HG12 VAL 485 7.013 1.065 0.555 66 HG13 VAL 485 HG13 VAL 485 8.106 2.429 0.299 67 HG21 VAL 485 HG21 VAL 485 5.391 3.755 2.470 68 HG22 VAL 485 HG22 VAL 485 7.135 3.513 2.377 69 HG23 VAL 485 HG23 VAL 485 6.059 2.125 2.577 70 H ARG 486 HN ARG 486 4.298 3.975 -1.692 71 HA ARG 486 HA ARG 486 2.142 4.908 -0.089 72 HB2 ARG 486 HB2 ARG 486 3.067 7.086 -0.718 73 HB3 ARG 486 HB1 ARG 486 2.978 6.649 -2.419 74 HG2 ARG 486 HG2 ARG 486 1.145 8.111 -1.795 75 HG3 ARG 486 HG1 ARG 486 0.547 6.522 -2.269 76 HD2 ARG 486 HD2 ARG 486 -0.669 7.163 -0.336 77 HD3 ARG 486 HD1 ARG 486 0.483 5.932 0.175 78 HE ARG 486 HE ARG 486 0.936 8.824 0.583 79 HH11 ARG 486 HH11 ARG 486 1.103 5.519 1.735 80 HH12 ARG 486 HH12 ARG 486 1.590 5.965 3.337 81 HH21 ARG 486 HH21 ARG 486 1.601 9.407 2.692 82 HH22 ARG 486 HH22 ARG 486 1.897 8.170 3.870 83 H VAL 487 HN VAL 487 0.155 4.349 -0.969 84 HA VAL 487 HA VAL 487 0.429 2.539 -3.257 85 HB VAL 487 HB VAL 487 -1.509 2.404 -0.947 86 HG11 VAL 487 HG11 VAL 487 -2.476 1.539 -3.020 87 HG12 VAL 487 HG12 VAL 487 -2.164 0.247 -1.858 88 HG13 VAL 487 HG13 VAL 487 -1.076 0.485 -3.228 89 HG21 VAL 487 HG21 VAL 487 0.725 1.843 -0.264 90 HG22 VAL 487 HG22 VAL 487 0.918 0.775 -1.654 91 HG23 VAL 487 HG23 VAL 487 -0.228 0.362 -0.383 92 H GLU 488 HN GLU 488 -0.892 2.664 -4.935 93 HA GLU 488 HA GLU 488 -3.007 4.737 -4.924 94 HB2 GLU 488 HB2 GLU 488 -1.200 3.921 -7.219 95 HB3 GLU 488 HB1 GLU 488 -2.481 5.118 -7.302 96 HG2 GLU 488 HG2 GLU 488 0.018 5.320 -5.634 97 HG3 GLU 488 HG1 GLU 488 -0.279 6.151 -7.160 98 H LEU 489 HN LEU 489 -4.751 4.334 -6.442 99 HA LEU 489 HA LEU 489 -5.545 1.555 -6.452 100 HB2 LEU 489 HB2 LEU 489 -6.931 3.982 -7.585 101 HB3 LEU 489 HB1 LEU 489 -7.634 2.388 -7.423 102 HG LEU 489 HG LEU 489 -6.712 4.049 -5.081 103 HD11 LEU 489 HD11 LEU 489 -9.086 4.539 -4.739 104 HD12 LEU 489 HD12 LEU 489 -9.488 3.672 -6.223 105 HD13 LEU 489 HD13 LEU 489 -8.536 5.156 -6.296 106 HD21 LEU 489 HD21 LEU 489 -8.526 1.638 -5.224 107 HD22 LEU 489 HD22 LEU 489 -8.017 2.496 -3.766 108 HD23 LEU 489 HD23 LEU 489 -6.837 1.604 -4.725 109 H ALA 490 HN ALA 490 -5.628 0.226 -8.185 110 HA ALA 490 HA ALA 490 -4.332 1.056 -10.637 111 HB1 ALA 490 HB1 ALA 490 -5.669 -1.566 -9.981 112 HB2 ALA 490 HB2 ALA 490 -3.977 -1.189 -9.658 113 HB3 ALA 490 HB3 ALA 490 -4.567 -1.249 -11.321 114 H GLU 491 HN GLU 491 -7.479 0.797 -9.369 115 HA GLU 491 HA GLU 491 -8.585 1.588 -11.966 116 HB2 GLU 491 HB2 GLU 491 -10.759 0.468 -10.961 117 HB3 GLU 491 HB1 GLU 491 -9.583 -0.473 -11.860 118 HG2 GLU 491 HG2 GLU 491 -10.203 -1.735 -9.968 119 HG3 GLU 491 HG1 GLU 491 -8.573 -1.140 -9.674 120 H GLU 492 HN GLU 492 -11.101 2.279 -11.141 121 HA GLU 492 HA GLU 492 -10.473 4.498 -9.319 122 HB2 GLU 492 HB2 GLU 492 -12.640 4.254 -11.408 123 HB3 GLU 492 HB1 GLU 492 -12.447 5.627 -10.327 124 HG2 GLU 492 HG2 GLU 492 -10.265 6.097 -11.287 125 HG3 GLU 492 HG1 GLU 492 -10.416 4.696 -12.345 126 H ASP 493 HN ASP 493 -10.810 3.397 -7.401 127 HA ASP 493 HA ASP 493 -13.146 1.930 -6.813 128 HB2 ASP 493 HB2 ASP 493 -11.226 1.507 -5.466 129 HB3 ASP 493 HB1 ASP 493 -11.092 3.204 -5.014 130 H ASP 494 HN ASP 494 -15.054 2.877 -7.034 131 HA ASP 494 HA ASP 494 -15.577 5.211 -5.319 132 HB2 ASP 494 HB2 ASP 494 -17.001 6.200 -6.945 133 HB3 ASP 494 HB1 ASP 494 -15.538 5.744 -7.812 134 H GLY 495 HN GLY 495 -16.333 2.036 -6.162 135 HA2 GLY 495 HA2 GLY 495 -19.152 2.217 -5.501 136 HA3 GLY 495 HA1 GLY 495 -18.314 0.808 -6.112 137 H GLU 496 HN GLU 496 -16.521 2.058 -3.626 138 HA GLU 496 HA GLU 496 -16.069 1.364 -1.516 139 HB2 GLU 496 HB2 GLU 496 -19.078 1.140 -1.452 140 HB3 GLU 496 HB1 GLU 496 -18.068 0.843 -0.041 141 HG2 GLU 496 HG2 GLU 496 -17.226 3.093 -0.110 142 HG3 GLU 496 HG1 GLU 496 -18.090 3.408 -1.612 143 H LYS 497 HN LYS 497 -15.473 -0.335 -3.329 144 HA LYS 497 HA LYS 497 -16.638 -2.899 -3.269 145 HB2 LYS 497 HB2 LYS 497 -13.842 -2.089 -4.071 146 HB3 LYS 497 HB1 LYS 497 -14.761 -3.469 -4.652 147 HG2 LYS 497 HG2 LYS 497 -16.227 -2.113 -5.892 148 HG3 LYS 497 HG1 LYS 497 -15.702 -0.649 -5.070 149 HD2 LYS 497 HD2 LYS 497 -14.798 -0.782 -7.338 150 HD3 LYS 497 HD1 LYS 497 -13.517 -0.818 -6.127 151 HE2 LYS 497 HE2 LYS 497 -13.296 -3.211 -6.381 152 HE3 LYS 497 HE1 LYS 497 -14.665 -3.250 -7.491 153 HZ1 LYS 497 HZ1 LYS 497 -12.154 -1.744 -8.013 154 HZ2 LYS 497 HZ2 LYS 497 -13.432 -2.017 -9.090 155 HZ3 LYS 497 HZ3 LYS 497 -12.463 -3.309 -8.592 156 H ILE 498 HN ILE 498 -15.898 -4.787 -2.273 157 HA ILE 498 HA ILE 498 -14.639 -4.410 0.287 158 HB ILE 498 HB ILE 498 -15.756 -6.831 -1.112 159 HG12 ILE 498 HG12 ILE 498 -17.264 -5.027 -0.191 160 HG13 ILE 498 HG11 ILE 498 -17.537 -6.644 0.423 161 HG21 ILE 498 HG21 ILE 498 -13.797 -7.363 0.431 162 HG22 ILE 498 HG22 ILE 498 -15.320 -8.185 0.764 163 HG23 ILE 498 HG23 ILE 498 -14.832 -6.812 1.755 164 HD11 ILE 498 HD11 ILE 498 -16.038 -4.463 1.833 165 HD12 ILE 498 HD12 ILE 498 -16.296 -6.098 2.452 166 HD13 ILE 498 HD13 ILE 498 -17.671 -5.014 2.205 167 H ALA 499 HN ALA 499 -13.763 -5.366 -2.877 168 HA ALA 499 HA ALA 499 -11.026 -5.855 -1.951 169 HB1 ALA 499 HB1 ALA 499 -10.837 -7.741 -3.514 170 HB2 ALA 499 HB2 ALA 499 -12.562 -7.585 -3.868 171 HB3 ALA 499 HB3 ALA 499 -12.030 -8.021 -2.243 172 H ILE 500 HN ILE 500 -9.566 -4.764 -3.087 173 HA ILE 500 HA ILE 500 -10.407 -3.553 -5.637 174 HB ILE 500 HB ILE 500 -9.299 -1.506 -4.982 175 HG12 ILE 500 HG12 ILE 500 -8.669 -2.983 -2.422 176 HG13 ILE 500 HG11 ILE 500 -7.515 -2.360 -3.594 177 HG21 ILE 500 HG21 ILE 500 -11.170 -2.512 -2.863 178 HG22 ILE 500 HG22 ILE 500 -11.635 -1.768 -4.394 179 HG23 ILE 500 HG23 ILE 500 -10.795 -0.817 -3.167 180 HD11 ILE 500 HD11 ILE 500 -7.625 -0.963 -1.615 181 HD12 ILE 500 HD12 ILE 500 -9.347 -0.704 -1.883 182 HD13 ILE 500 HD13 ILE 500 -8.172 -0.089 -3.044 183 H LYS 501 HN LYS 501 -8.302 -2.377 -6.553 184 HA LYS 501 HA LYS 501 -6.062 -4.278 -6.371 185 HB2 LYS 501 HB2 LYS 501 -7.315 -4.504 -8.517 186 HB3 LYS 501 HB1 LYS 501 -6.968 -2.815 -8.862 187 HG2 LYS 501 HG2 LYS 501 -5.408 -4.121 -10.080 188 HG3 LYS 501 HG1 LYS 501 -4.531 -3.381 -8.741 189 HD2 LYS 501 HD2 LYS 501 -3.777 -5.592 -8.757 190 HD3 LYS 501 HD1 LYS 501 -4.998 -5.572 -7.485 191 HE2 LYS 501 HE2 LYS 501 -5.335 -7.538 -8.805 192 HE3 LYS 501 HE1 LYS 501 -6.647 -6.415 -9.150 193 HZ1 LYS 501 HZ1 LYS 501 -4.220 -6.690 -10.843 194 HZ2 LYS 501 HZ2 LYS 501 -5.625 -5.809 -11.197 195 HZ3 LYS 501 HZ3 LYS 501 -5.681 -7.495 -11.141 196 H LEU 502 HN LEU 502 -4.361 -3.321 -5.521 197 HA LEU 502 HA LEU 502 -4.054 -0.404 -5.819 198 HB2 LEU 502 HB2 LEU 502 -3.209 -2.265 -3.598 199 HB3 LEU 502 HB1 LEU 502 -2.808 -0.562 -3.671 200 HG LEU 502 HG LEU 502 -5.652 -1.543 -3.613 201 HD11 LEU 502 HD11 LEU 502 -5.634 -1.097 -1.223 202 HD12 LEU 502 HD12 LEU 502 -3.914 -0.719 -1.295 203 HD13 LEU 502 HD13 LEU 502 -4.471 -2.357 -1.633 204 HD21 LEU 502 HD21 LEU 502 -5.147 0.770 -4.410 205 HD22 LEU 502 HD22 LEU 502 -4.456 1.105 -2.822 206 HD23 LEU 502 HD23 LEU 502 -6.165 0.697 -2.972 207 H TRP 503 HN TRP 503 -1.874 0.413 -5.975 208 HA TRP 503 HA TRP 503 0.185 -1.627 -6.503 209 HB2 TRP 503 HB2 TRP 503 -0.139 1.096 -7.744 210 HB3 TRP 503 HB1 TRP 503 1.356 0.182 -7.829 211 HD1 TRP 503 HD1 TRP 503 -2.344 -0.379 -8.771 212 HE1 TRP 503 HE1 TRP 503 -2.423 -1.584 -11.046 213 HE3 TRP 503 HE3 TRP 503 2.646 -1.134 -9.445 214 HZ2 TRP 503 HZ2 TRP 503 -0.598 -2.727 -12.863 215 HZ3 TRP 503 HZ3 TRP 503 3.397 -2.314 -11.459 216 HH2 TRP 503 HH2 TRP 503 1.815 -3.093 -13.132 217 H LEU 504 HN LEU 504 1.777 -1.663 -5.074 218 HA LEU 504 HA LEU 504 2.111 0.435 -3.116 219 HB2 LEU 504 HB2 LEU 504 2.387 -1.910 -2.509 220 HB3 LEU 504 HB1 LEU 504 3.685 -2.077 -3.660 221 HG LEU 504 HG LEU 504 4.909 -0.298 -2.282 222 HD11 LEU 504 HD11 LEU 504 2.801 -1.111 -0.291 223 HD12 LEU 504 HD12 LEU 504 3.030 0.496 -0.981 224 HD13 LEU 504 HD13 LEU 504 4.260 -0.192 0.079 225 HD21 LEU 504 HD21 LEU 504 5.732 -1.978 -0.705 226 HD22 LEU 504 HD22 LEU 504 5.559 -2.638 -2.331 227 HD23 LEU 504 HD23 LEU 504 4.359 -3.013 -1.095 228 H ARG 505 HN ARG 505 2.927 2.266 -4.028 229 HA ARG 505 HA ARG 505 5.120 2.102 -5.924 230 HB2 ARG 505 HB2 ARG 505 3.933 4.559 -4.662 231 HB3 ARG 505 HB1 ARG 505 5.012 4.510 -6.043 232 HG2 ARG 505 HG2 ARG 505 3.128 3.097 -7.127 233 HG3 ARG 505 HG1 ARG 505 2.123 3.821 -5.866 234 HD2 ARG 505 HD2 ARG 505 3.561 5.117 -8.130 235 HD3 ARG 505 HD1 ARG 505 1.904 5.354 -7.574 236 HE ARG 505 HE ARG 505 3.930 6.220 -5.701 237 HH11 ARG 505 HH11 ARG 505 1.891 7.158 -8.394 238 HH12 ARG 505 HH12 ARG 505 2.039 8.856 -8.075 239 HH21 ARG 505 HH21 ARG 505 4.138 8.441 -5.279 240 HH22 ARG 505 HH22 ARG 505 3.313 9.589 -6.290 241 H ILE 506 HN ILE 506 7.211 2.420 -5.484 242 HA ILE 506 HA ILE 506 8.003 2.963 -2.736 243 HB ILE 506 HB ILE 506 9.815 2.537 -5.113 244 HG12 ILE 506 HG12 ILE 506 8.322 0.601 -4.918 245 HG13 ILE 506 HG11 ILE 506 9.957 0.174 -4.433 246 HG21 ILE 506 HG21 ILE 506 10.171 2.515 -2.142 247 HG22 ILE 506 HG22 ILE 506 11.071 3.422 -3.363 248 HG23 ILE 506 HG23 ILE 506 11.300 1.680 -3.207 249 HD11 ILE 506 HD11 ILE 506 9.287 0.371 -2.080 250 HD12 ILE 506 HD12 ILE 506 8.346 -0.838 -2.954 251 HD13 ILE 506 HD13 ILE 506 7.642 0.739 -2.598 252 H GLU 507 HN GLU 507 8.001 5.040 -2.153 253 HA GLU 507 HA GLU 507 8.271 7.152 -4.078 254 HB2 GLU 507 HB2 GLU 507 8.065 7.234 -1.065 255 HB3 GLU 507 HB1 GLU 507 7.953 8.620 -2.131 256 HG2 GLU 507 HG2 GLU 507 6.052 6.316 -1.940 257 HG3 GLU 507 HG1 GLU 507 5.760 7.977 -1.440 258 H ASP 508 HN ASP 508 10.215 5.724 -1.518 259 HA ASP 508 HA ASP 508 12.594 6.968 -2.617 260 HB2 ASP 508 HB2 ASP 508 11.763 8.632 -0.964 261 HB3 ASP 508 HB1 ASP 508 11.845 7.394 0.285 262 H ILE 509 HN ILE 509 13.860 5.258 -2.887 263 HA ILE 509 HA ILE 509 13.493 2.875 -1.366 264 HB ILE 509 HB ILE 509 15.239 1.913 -2.719 265 HG12 ILE 509 HG12 ILE 509 15.955 3.736 -4.627 266 HG13 ILE 509 HG11 ILE 509 15.963 4.713 -3.161 267 HG21 ILE 509 HG21 ILE 509 14.271 2.297 -4.952 268 HG22 ILE 509 HG22 ILE 509 13.352 3.644 -4.279 269 HG23 ILE 509 HG23 ILE 509 13.068 2.006 -3.699 270 HD11 ILE 509 HD11 ILE 509 18.159 3.779 -3.594 271 HD12 ILE 509 HD12 ILE 509 17.478 2.148 -3.588 272 HD13 ILE 509 HD13 ILE 509 17.476 3.112 -2.109 273 H LYS 510 HN LYS 510 15.293 5.659 -0.736 274 HA LYS 510 HA LYS 510 17.510 4.386 0.562 275 HB2 LYS 510 HB2 LYS 510 16.504 7.228 0.736 276 HB3 LYS 510 HB1 LYS 510 18.030 6.654 1.373 277 HG2 LYS 510 HG2 LYS 510 17.232 6.690 -1.524 278 HG3 LYS 510 HG1 LYS 510 18.334 7.818 -0.737 279 HD2 LYS 510 HD2 LYS 510 18.832 4.848 -0.813 280 HD3 LYS 510 HD1 LYS 510 19.377 5.931 -2.089 281 HE2 LYS 510 HE2 LYS 510 21.231 5.703 -0.684 282 HE3 LYS 510 HE1 LYS 510 20.534 7.256 -0.241 283 HZ1 LYS 510 HZ1 LYS 510 19.614 6.323 1.720 284 HZ2 LYS 510 HZ2 LYS 510 21.222 5.817 1.654 285 HZ3 LYS 510 HZ3 LYS 510 19.984 4.745 1.239 286 H LYS 511 HN LYS 511 14.308 5.311 1.399 287 HA LYS 511 HA LYS 511 14.581 5.212 4.220 288 HB2 LYS 511 HB2 LYS 511 12.243 4.910 2.342 289 HB3 LYS 511 HB1 LYS 511 12.090 4.947 4.078 290 HG2 LYS 511 HG2 LYS 511 13.239 7.166 2.422 291 HG3 LYS 511 HG1 LYS 511 11.579 7.102 3.013 292 HD2 LYS 511 HD2 LYS 511 12.587 6.878 5.328 293 HD3 LYS 511 HD1 LYS 511 14.121 7.347 4.597 294 HE2 LYS 511 HE2 LYS 511 13.066 9.409 3.767 295 HE3 LYS 511 HE1 LYS 511 11.564 8.947 4.560 296 HZ1 LYS 511 HZ1 LYS 511 12.776 10.508 5.907 297 HZ2 LYS 511 HZ2 LYS 511 14.145 9.519 5.903 298 HZ3 LYS 511 HZ3 LYS 511 12.740 9.008 6.684 299 H LEU 512 HN LEU 512 14.564 2.867 1.761 300 HA LEU 512 HA LEU 512 13.423 0.796 3.485 301 HB2 LEU 512 HB2 LEU 512 14.057 0.629 0.550 302 HB3 LEU 512 HB1 LEU 512 13.026 -0.439 1.486 303 HG LEU 512 HG LEU 512 12.446 2.455 0.851 304 HD11 LEU 512 HD11 LEU 512 12.229 1.094 -1.098 305 HD12 LEU 512 HD12 LEU 512 10.620 1.503 -0.498 306 HD13 LEU 512 HD13 LEU 512 11.288 -0.103 -0.210 307 HD21 LEU 512 HD21 LEU 512 10.255 2.037 1.829 308 HD22 LEU 512 HD22 LEU 512 11.538 1.804 3.018 309 HD23 LEU 512 HD23 LEU 512 10.759 0.405 2.277 310 H LYS 513 HN LYS 513 14.404 -1.242 3.660 311 HA LYS 513 HA LYS 513 17.309 -1.027 3.874 312 HB2 LYS 513 HB2 LYS 513 15.599 -3.350 4.759 313 HB3 LYS 513 HB1 LYS 513 17.199 -2.902 5.334 314 HG2 LYS 513 HG2 LYS 513 14.584 -1.535 5.887 315 HG3 LYS 513 HG1 LYS 513 15.674 -2.317 7.034 316 HD2 LYS 513 HD2 LYS 513 17.368 -0.607 6.582 317 HD3 LYS 513 HD1 LYS 513 16.267 0.163 5.434 318 HE2 LYS 513 HE2 LYS 513 16.253 1.303 7.606 319 HE3 LYS 513 HE1 LYS 513 14.682 0.605 7.226 320 HZ1 LYS 513 HZ1 LYS 513 15.258 0.181 9.519 321 HZ2 LYS 513 HZ2 LYS 513 16.713 -0.551 9.062 322 HZ3 LYS 513 HZ3 LYS 513 15.241 -1.281 8.668 323 H GLY 514 HN GLY 514 14.878 -2.622 2.040 324 HA2 GLY 514 HA2 GLY 514 16.677 -4.622 0.957 325 HA3 GLY 514 HA1 GLY 514 15.001 -4.365 0.497 326 H LYS 515 HN LYS 515 15.967 -4.759 -1.661 327 HA LYS 515 HA LYS 515 17.145 -2.304 -2.788 328 HB2 LYS 515 HB2 LYS 515 17.272 -5.166 -3.759 329 HB3 LYS 515 HB1 LYS 515 17.860 -3.789 -4.678 330 HG2 LYS 515 HG2 LYS 515 19.507 -3.305 -2.982 331 HG3 LYS 515 HG1 LYS 515 18.870 -4.596 -1.960 332 HD2 LYS 515 HD2 LYS 515 20.895 -5.304 -3.139 333 HD3 LYS 515 HD1 LYS 515 19.494 -6.251 -3.640 334 HE2 LYS 515 HE2 LYS 515 19.277 -4.857 -5.645 335 HE3 LYS 515 HE1 LYS 515 20.680 -3.917 -5.143 336 HZ1 LYS 515 HZ1 LYS 515 21.303 -5.559 -6.772 337 HZ2 LYS 515 HZ2 LYS 515 20.661 -6.806 -5.829 338 HZ3 LYS 515 HZ3 LYS 515 22.013 -5.949 -5.288 339 H TYR 516 HN TYR 516 15.641 -1.088 -3.686 340 HA TYR 516 HA TYR 516 13.615 -2.361 -5.404 341 HB2 TYR 516 HB2 TYR 516 13.043 0.032 -3.644 342 HB3 TYR 516 HB1 TYR 516 11.890 -0.921 -4.567 343 HD1 TYR 516 HD2 TYR 516 14.070 -0.932 -1.588 344 HD2 TYR 516 HD1 TYR 516 10.936 -2.888 -3.684 345 HE1 TYR 516 HE2 TYR 516 13.621 -2.321 0.386 346 HE2 TYR 516 HE1 TYR 516 10.475 -4.281 -1.719 347 HH TYR 516 HH TYR 516 11.370 -5.018 0.255 348 H LYS 517 HN LYS 517 12.629 -0.682 -6.902 349 HA LYS 517 HA LYS 517 14.727 1.184 -7.757 350 HB2 LYS 517 HB2 LYS 517 12.262 0.159 -9.174 351 HB3 LYS 517 HB1 LYS 517 13.345 1.369 -9.845 352 HG2 LYS 517 HG2 LYS 517 15.167 -0.203 -9.864 353 HG3 LYS 517 HG1 LYS 517 14.175 -1.412 -9.049 354 HD2 LYS 517 HD2 LYS 517 13.503 -0.240 -11.741 355 HD3 LYS 517 HD1 LYS 517 14.428 -1.727 -11.527 356 HE2 LYS 517 HE2 LYS 517 11.609 -1.221 -10.581 357 HE3 LYS 517 HE1 LYS 517 12.085 -2.223 -11.949 358 HZ1 LYS 517 HZ1 LYS 517 12.660 -2.725 -9.083 359 HZ2 LYS 517 HZ2 LYS 517 13.330 -3.625 -10.346 360 HZ3 LYS 517 HZ3 LYS 517 11.655 -3.634 -10.096 361 H ASP 518 HN ASP 518 14.357 3.375 -7.953 362 HA ASP 518 HA ASP 518 12.425 4.349 -6.031 363 HB2 ASP 518 HB2 ASP 518 14.906 5.061 -6.300 364 HB3 ASP 518 HB1 ASP 518 14.313 6.077 -7.606 365 H ASN 519 HN ASN 519 11.336 3.305 -8.341 366 HA ASN 519 HA ASN 519 9.475 5.315 -9.039 367 HB2 ASN 519 HB2 ASN 519 9.857 5.256 -11.500 368 HB3 ASN 519 HB1 ASN 519 11.170 6.031 -10.625 369 HD21 ASN 519 HD21 ASN 519 12.593 5.689 -12.308 370 HD22 ASN 519 HD22 ASN 519 13.250 4.130 -12.666 371 H GLU 520 HN GLU 520 9.664 2.681 -7.887 372 HA GLU 520 HA GLU 520 8.412 0.983 -9.920 373 HB2 GLU 520 HB2 GLU 520 10.370 -0.096 -9.379 374 HB3 GLU 520 HB1 GLU 520 10.348 0.456 -7.715 375 HG2 GLU 520 HG2 GLU 520 8.766 -1.182 -7.100 376 HG3 GLU 520 HG1 GLU 520 8.427 -1.588 -8.783 377 H ALA 521 HN ALA 521 6.568 -0.119 -9.445 378 HA ALA 521 HA ALA 521 5.423 0.203 -6.767 379 HB1 ALA 521 HB1 ALA 521 4.439 1.935 -8.211 380 HB2 ALA 521 HB2 ALA 521 3.247 0.752 -7.679 381 HB3 ALA 521 HB3 ALA 521 3.887 0.679 -9.321 382 H ILE 522 HN ILE 522 4.286 -1.455 -6.031 383 HA ILE 522 HA ILE 522 4.335 -3.894 -7.664 384 HB ILE 522 HB ILE 522 4.366 -3.515 -4.669 385 HG12 ILE 522 HG12 ILE 522 6.454 -4.735 -6.481 386 HG13 ILE 522 HG11 ILE 522 6.478 -3.065 -5.943 387 HG21 ILE 522 HG21 ILE 522 3.081 -5.506 -5.248 388 HG22 ILE 522 HG22 ILE 522 4.626 -5.948 -4.521 389 HG23 ILE 522 HG23 ILE 522 4.406 -6.074 -6.264 390 HD11 ILE 522 HD11 ILE 522 7.937 -4.671 -4.669 391 HD12 ILE 522 HD12 ILE 522 6.448 -5.372 -4.033 392 HD13 ILE 522 HD13 ILE 522 6.840 -3.686 -3.702 393 H GLU 523 HN GLU 523 2.393 -4.214 -8.554 394 HA GLU 523 HA GLU 523 -0.068 -3.266 -7.483 395 HB2 GLU 523 HB2 GLU 523 0.111 -3.564 -9.832 396 HB3 GLU 523 HB1 GLU 523 0.607 -5.236 -9.669 397 HG2 GLU 523 HG2 GLU 523 -1.686 -5.628 -8.608 398 HG3 GLU 523 HG1 GLU 523 -2.101 -4.019 -9.196 399 H PHE 524 HN PHE 524 -1.366 -4.163 -6.013 400 HA PHE 524 HA PHE 524 -1.440 -7.052 -5.657 401 HB2 PHE 524 HB2 PHE 524 -1.244 -6.933 -3.216 402 HB3 PHE 524 HB1 PHE 524 0.213 -6.317 -3.984 403 HD1 PHE 524 HD2 PHE 524 0.606 -3.856 -4.053 404 HD2 PHE 524 HD1 PHE 524 -2.536 -5.588 -1.765 405 HE1 PHE 524 HE2 PHE 524 0.400 -1.771 -2.762 406 HE2 PHE 524 HE1 PHE 524 -2.746 -3.501 -0.475 407 HZ PHE 524 HZ PHE 524 -1.212 -1.667 -0.849 408 H SER 525 HN SER 525 -3.431 -7.797 -5.012 409 HA SER 525 HA SER 525 -5.618 -5.897 -5.103 410 HB2 SER 525 HB2 SER 525 -5.698 -8.897 -4.675 411 HB3 SER 525 HB1 SER 525 -7.054 -7.862 -5.121 412 HG SER 525 HG SER 525 -6.326 -8.785 -6.987 413 H PHE 526 HN PHE 526 -7.044 -5.454 -3.336 414 HA PHE 526 HA PHE 526 -6.108 -6.553 -0.773 415 HB2 PHE 526 HB2 PHE 526 -5.215 -4.200 -1.253 416 HB3 PHE 526 HB1 PHE 526 -6.879 -3.656 -1.081 417 HD1 PHE 526 HD2 PHE 526 -3.967 -5.016 0.660 418 HD2 PHE 526 HD1 PHE 526 -7.970 -3.645 1.055 419 HE1 PHE 526 HE2 PHE 526 -3.678 -4.888 3.100 420 HE2 PHE 526 HE1 PHE 526 -7.686 -3.507 3.494 421 HZ PHE 526 HZ PHE 526 -5.521 -4.166 4.515 422 H ASP 527 HN ASP 527 -7.716 -7.638 0.045 423 HA ASP 527 HA ASP 527 -10.461 -6.779 -0.314 424 HB2 ASP 527 HB2 ASP 527 -9.658 -9.213 -0.169 425 HB3 ASP 527 HB1 ASP 527 -9.466 -8.929 1.556 426 H LEU 528 HN LEU 528 -10.956 -4.980 0.775 427 HA LEU 528 HA LEU 528 -9.533 -3.987 2.990 428 HB2 LEU 528 HB2 LEU 528 -12.301 -3.305 2.013 429 HB3 LEU 528 HB1 LEU 528 -11.343 -2.338 3.112 430 HG LEU 528 HG LEU 528 -10.345 -2.990 0.357 431 HD11 LEU 528 HD11 LEU 528 -12.566 -1.971 0.156 432 HD12 LEU 528 HD12 LEU 528 -11.285 -0.891 -0.404 433 HD13 LEU 528 HD13 LEU 528 -12.029 -0.631 1.174 434 HD21 LEU 528 HD21 LEU 528 -9.805 -0.682 2.219 435 HD22 LEU 528 HD22 LEU 528 -9.005 -1.011 0.680 436 HD23 LEU 528 HD23 LEU 528 -8.772 -2.101 2.046 437 H GLU 529 HN GLU 529 -11.981 -6.295 2.756 438 HA GLU 529 HA GLU 529 -13.013 -5.884 5.426 439 HB2 GLU 529 HB2 GLU 529 -14.586 -6.225 3.648 440 HB3 GLU 529 HB1 GLU 529 -13.746 -7.677 3.119 441 HG2 GLU 529 HG2 GLU 529 -14.454 -8.866 4.990 442 HG3 GLU 529 HG1 GLU 529 -15.040 -7.413 5.776 443 H ARG 530 HN ARG 530 -11.317 -8.363 3.515 444 HA ARG 530 HA ARG 530 -10.923 -9.987 5.901 445 HB2 ARG 530 HB2 ARG 530 -10.464 -10.438 2.969 446 HB3 ARG 530 HB1 ARG 530 -9.909 -11.566 4.190 447 HG2 ARG 530 HG2 ARG 530 -12.181 -11.898 4.950 448 HG3 ARG 530 HG1 ARG 530 -12.758 -10.714 3.782 449 HD2 ARG 530 HD2 ARG 530 -11.354 -13.299 3.123 450 HD3 ARG 530 HD1 ARG 530 -13.087 -13.011 2.987 451 HE ARG 530 HE ARG 530 -12.168 -11.084 1.423 452 HH11 ARG 530 HH11 ARG 530 -11.209 -14.448 1.617 453 HH12 ARG 530 HH12 ARG 530 -10.731 -14.537 -0.048 454 HH21 ARG 530 HH21 ARG 530 -11.545 -11.187 -0.752 455 HH22 ARG 530 HH22 ARG 530 -10.926 -12.678 -1.403 456 H ASP 531 HN ASP 531 -8.991 -8.318 3.435 457 HA ASP 531 HA ASP 531 -6.538 -9.448 4.346 458 HB2 ASP 531 HB2 ASP 531 -7.257 -7.426 2.275 459 HB3 ASP 531 HB1 ASP 531 -5.584 -7.545 2.810 460 H VAL 532 HN VAL 532 -4.865 -8.548 5.368 461 HA VAL 532 HA VAL 532 -5.313 -5.976 6.739 462 HB VAL 532 HB VAL 532 -3.736 -8.400 7.659 463 HG11 VAL 532 HG11 VAL 532 -3.292 -7.163 9.712 464 HG12 VAL 532 HG12 VAL 532 -4.103 -5.747 9.045 465 HG13 VAL 532 HG13 VAL 532 -2.608 -6.332 8.316 466 HG21 VAL 532 HG21 VAL 532 -6.133 -8.665 7.919 467 HG22 VAL 532 HG22 VAL 532 -6.233 -7.112 8.749 468 HG23 VAL 532 HG23 VAL 532 -5.367 -8.456 9.494 469 HA PRO 533 HA PRO 533 -2.029 -4.330 4.282 470 HB2 PRO 533 HB2 PRO 533 -1.419 -2.864 6.815 471 HB3 PRO 533 HB1 PRO 533 -1.622 -2.238 5.175 472 HG2 PRO 533 HG2 PRO 533 -3.573 -1.945 6.937 473 HG3 PRO 533 HG1 PRO 533 -3.952 -2.400 5.267 474 HD2 PRO 533 HD2 PRO 533 -3.876 -4.092 7.730 475 HD3 PRO 533 HD1 PRO 533 -5.017 -4.133 6.375 476 H GLU 534 HN GLU 534 -1.281 -5.314 7.614 477 HA GLU 534 HA GLU 534 1.494 -5.673 7.144 478 HB2 GLU 534 HB2 GLU 534 -0.371 -6.626 9.302 479 HB3 GLU 534 HB1 GLU 534 1.322 -7.087 9.270 480 HG2 GLU 534 HG2 GLU 534 1.973 -4.744 9.364 481 HG3 GLU 534 HG1 GLU 534 0.278 -4.272 9.377 482 H ASP 535 HN ASP 535 -1.316 -7.727 6.779 483 HA ASP 535 HA ASP 535 0.103 -10.190 6.574 484 HB2 ASP 535 HB2 ASP 535 -2.320 -10.054 7.104 485 HB3 ASP 535 HB1 ASP 535 -2.625 -9.479 5.473 486 H VAL 536 HN VAL 536 -1.188 -7.882 4.238 487 HA VAL 536 HA VAL 536 -0.389 -9.260 1.915 488 HB VAL 536 HB VAL 536 -0.770 -6.289 2.327 489 HG11 VAL 536 HG11 VAL 536 -0.991 -6.137 -0.085 490 HG12 VAL 536 HG12 VAL 536 -0.691 -7.871 -0.242 491 HG13 VAL 536 HG13 VAL 536 0.588 -6.804 0.339 492 HG21 VAL 536 HG21 VAL 536 -2.762 -7.618 2.830 493 HG22 VAL 536 HG22 VAL 536 -2.641 -8.395 1.247 494 HG23 VAL 536 HG23 VAL 536 -2.979 -6.668 1.357 495 H ALA 537 HN ALA 537 1.241 -6.793 3.881 496 HA ALA 537 HA ALA 537 3.541 -6.601 2.262 497 HB1 ALA 537 HB1 ALA 537 2.940 -4.949 3.995 498 HB2 ALA 537 HB2 ALA 537 4.605 -5.517 4.130 499 HB3 ALA 537 HB3 ALA 537 3.368 -6.132 5.233 500 H GLN 538 HN GLN 538 2.539 -8.912 4.674 501 HA GLN 538 HA GLN 538 5.034 -10.216 5.017 502 HB2 GLN 538 HB2 GLN 538 2.175 -11.005 5.438 503 HB3 GLN 538 HB1 GLN 538 3.433 -12.225 5.525 504 HG2 GLN 538 HG2 GLN 538 3.409 -9.713 7.162 505 HG3 GLN 538 HG1 GLN 538 2.770 -11.259 7.713 506 HE21 GLN 538 HE21 GLN 538 4.827 -12.807 6.386 507 HE22 GLN 538 HE22 GLN 538 6.268 -12.598 7.317 508 H GLU 539 HN GLU 539 2.283 -10.801 2.851 509 HA GLU 539 HA GLU 539 3.357 -12.936 1.399 510 HB2 GLU 539 HB2 GLU 539 1.640 -10.732 0.241 511 HB3 GLU 539 HB1 GLU 539 1.751 -12.398 -0.307 512 HG2 GLU 539 HG2 GLU 539 0.596 -11.483 2.315 513 HG3 GLU 539 HG1 GLU 539 -0.324 -11.964 0.894 514 H MET 540 HN MET 540 3.649 -9.461 1.005 515 HA MET 540 HA MET 540 5.132 -9.308 -1.324 516 HB2 MET 540 HB2 MET 540 5.165 -7.605 1.152 517 HB3 MET 540 HB1 MET 540 6.075 -7.201 -0.298 518 HG2 MET 540 HG2 MET 540 4.024 -7.161 -1.593 519 HG3 MET 540 HG1 MET 540 3.102 -7.596 -0.157 520 HE1 MET 540 HE1 MET 540 2.271 -3.855 -1.131 521 HE2 MET 540 HE2 MET 540 1.604 -5.477 -0.939 522 HE3 MET 540 HE3 MET 540 2.774 -5.153 -2.217 523 H VAL 541 HN VAL 541 6.253 -9.715 2.007 524 HA VAL 541 HA VAL 541 9.011 -9.773 1.418 525 HB VAL 541 HB VAL 541 7.550 -11.007 3.762 526 HG11 VAL 541 HG11 VAL 541 10.467 -10.299 3.440 527 HG12 VAL 541 HG12 VAL 541 9.795 -11.928 3.515 528 HG13 VAL 541 HG13 VAL 541 9.705 -10.871 4.924 529 HG21 VAL 541 HG21 VAL 541 7.142 -8.607 3.527 530 HG22 VAL 541 HG22 VAL 541 8.882 -8.315 3.489 531 HG23 VAL 541 HG23 VAL 541 8.128 -8.960 4.948 532 H GLU 542 HN GLU 542 6.641 -12.393 1.909 533 HA GLU 542 HA GLU 542 8.528 -14.478 1.728 534 HB2 GLU 542 HB2 GLU 542 5.556 -14.523 1.227 535 HB3 GLU 542 HB1 GLU 542 6.566 -15.953 1.387 536 HG2 GLU 542 HG2 GLU 542 7.202 -15.108 3.672 537 HG3 GLU 542 HG1 GLU 542 5.942 -13.893 3.482 538 H SER 543 HN SER 543 6.597 -12.863 -0.750 539 HA SER 543 HA SER 543 7.347 -14.810 -2.735 540 HB2 SER 543 HB2 SER 543 5.921 -12.164 -3.022 541 HB3 SER 543 HB1 SER 543 6.121 -13.351 -4.310 542 HG SER 543 HG SER 543 5.099 -14.432 -2.019 543 H GLY 544 HN GLY 544 8.879 -12.133 -1.386 544 HA2 GLY 544 HA2 GLY 544 11.149 -11.694 -1.851 545 HA3 GLY 544 HA1 GLY 544 10.927 -12.350 -3.461 546 H TYR 545 HN TYR 545 8.447 -10.202 -2.697 547 HA TYR 545 HA TYR 545 9.461 -8.225 -4.532 548 HB2 TYR 545 HB2 TYR 545 6.979 -8.248 -2.803 549 HB3 TYR 545 HB1 TYR 545 7.355 -7.015 -3.994 550 HD1 TYR 545 HD2 TYR 545 7.670 -7.813 -6.430 551 HD2 TYR 545 HD1 TYR 545 5.756 -10.123 -3.417 552 HE1 TYR 545 HE2 TYR 545 6.570 -9.158 -8.169 553 HE2 TYR 545 HE1 TYR 545 4.653 -11.475 -5.145 554 HH TYR 545 HH TYR 545 5.532 -11.260 -8.483 555 H VAL 546 HN VAL 546 8.867 -8.479 -1.088 556 HA VAL 546 HA VAL 546 10.279 -5.929 -0.657 557 HB VAL 546 HB VAL 546 7.904 -7.044 0.853 558 HG11 VAL 546 HG11 VAL 546 9.564 -5.958 2.341 559 HG12 VAL 546 HG12 VAL 546 7.998 -5.151 2.294 560 HG13 VAL 546 HG13 VAL 546 9.364 -4.474 1.405 561 HG21 VAL 546 HG21 VAL 546 7.384 -5.968 -1.304 562 HG22 VAL 546 HG22 VAL 546 8.192 -4.503 -0.746 563 HG23 VAL 546 HG23 VAL 546 6.735 -5.072 0.069 564 H CYS 547 HN CYS 547 11.680 -5.845 1.080 565 HA CYS 547 HA CYS 547 12.611 -8.370 2.156 566 HB2 CYS 547 HB2 CYS 547 14.249 -6.666 1.520 567 HB3 CYS 547 HB1 CYS 547 13.514 -5.515 2.632 568 HG CYS 547 HG CYS 547 16.079 -6.778 3.423 569 H GLU 548 HN GLU 548 12.514 -8.973 4.312 570 HA GLU 548 HA GLU 548 10.191 -8.377 5.726 571 HB2 GLU 548 HB2 GLU 548 11.235 -9.569 7.610 572 HB3 GLU 548 HB1 GLU 548 11.452 -10.430 6.091 573 HG2 GLU 548 HG2 GLU 548 13.706 -9.812 5.937 574 HG3 GLU 548 HG1 GLU 548 13.540 -8.588 7.194 575 H GLY 549 HN GLY 549 13.274 -6.785 5.708 576 HA2 GLY 549 HA2 GLY 549 12.997 -5.418 8.190 577 HA3 GLY 549 HA1 GLY 549 14.111 -5.004 6.896 578 H ASP 550 HN ASP 550 11.518 -4.978 5.150 579 HA ASP 550 HA ASP 550 10.866 -2.185 5.802 580 HB2 ASP 550 HB2 ASP 550 10.748 -3.645 3.155 581 HB3 ASP 550 HB1 ASP 550 10.226 -1.986 3.408 582 H HIS 551 HN HIS 551 9.635 -4.955 6.558 583 HA HIS 551 HA HIS 551 7.127 -5.223 5.363 584 HB2 HIS 551 HB2 HIS 551 8.040 -6.991 6.744 585 HB3 HIS 551 HB1 HIS 551 8.036 -5.949 8.161 586 HD1 HIS 551 HD1 HIS 551 5.905 -5.845 9.528 587 HD2 HIS 551 HD2 HIS 551 5.432 -7.867 5.924 588 HE1 HIS 551 HE1 HIS 551 3.590 -6.826 9.601 589 HE2 HIS 551 HE2 HIS 551 3.311 -8.020 7.402 590 H LYS 552 HN LYS 552 7.975 -3.482 8.371 591 HA LYS 552 HA LYS 552 5.333 -2.630 8.936 592 HB2 LYS 552 HB2 LYS 552 7.949 -1.371 9.775 593 HB3 LYS 552 HB1 LYS 552 6.381 -1.041 10.493 594 HG2 LYS 552 HG2 LYS 552 6.235 -3.299 11.317 595 HG3 LYS 552 HG1 LYS 552 7.735 -3.730 10.497 596 HD2 LYS 552 HD2 LYS 552 8.212 -3.359 12.820 597 HD3 LYS 552 HD1 LYS 552 8.910 -2.035 11.887 598 HE2 LYS 552 HE2 LYS 552 7.843 -1.168 13.881 599 HE3 LYS 552 HE1 LYS 552 6.962 -0.638 12.450 600 HZ1 LYS 552 HZ1 LYS 552 5.314 -2.335 12.850 601 HZ2 LYS 552 HZ2 LYS 552 5.491 -1.390 14.239 602 HZ3 LYS 552 HZ3 LYS 552 6.184 -2.928 14.172 603 H THR 553 HN THR 553 7.925 -1.323 7.031 604 HA THR 553 HA THR 553 6.894 1.272 6.626 605 HB THR 553 HB THR 553 8.740 -0.334 4.851 606 HG1 THR 553 HG1 THR 553 10.388 0.681 6.107 607 HG21 THR 553 HG21 THR 553 9.590 1.843 4.139 608 HG22 THR 553 HG22 THR 553 8.404 2.648 5.166 609 HG23 THR 553 HG23 THR 553 7.868 1.693 3.784 610 H MET 554 HN MET 554 6.733 -1.709 4.698 611 HA MET 554 HA MET 554 5.238 -0.582 2.572 612 HB2 MET 554 HB2 MET 554 5.495 -3.462 3.445 613 HB3 MET 554 HB1 MET 554 4.839 -2.925 1.909 614 HG2 MET 554 HG2 MET 554 7.654 -2.633 2.894 615 HG3 MET 554 HG1 MET 554 7.072 -3.622 1.556 616 HE1 MET 554 HE1 MET 554 9.093 -2.545 0.172 617 HE2 MET 554 HE2 MET 554 9.521 -1.448 1.486 618 HE3 MET 554 HE3 MET 554 9.254 -0.815 -0.137 619 H ALA 555 HN ALA 555 4.352 -2.412 5.452 620 HA ALA 555 HA ALA 555 1.606 -2.667 4.992 621 HB1 ALA 555 HB1 ALA 555 2.989 -2.285 7.650 622 HB2 ALA 555 HB2 ALA 555 2.851 -3.822 6.793 623 HB3 ALA 555 HB3 ALA 555 1.401 -3.009 7.384 624 H LYS 556 HN LYS 556 3.519 0.004 6.201 625 HA LYS 556 HA LYS 556 1.353 1.577 7.120 626 HB2 LYS 556 HB2 LYS 556 3.647 1.947 7.882 627 HB3 LYS 556 HB1 LYS 556 4.121 2.401 6.249 628 HG2 LYS 556 HG2 LYS 556 3.814 4.373 7.604 629 HG3 LYS 556 HG1 LYS 556 2.585 4.298 6.341 630 HD2 LYS 556 HD2 LYS 556 1.024 3.308 8.010 631 HD3 LYS 556 HD1 LYS 556 2.243 3.605 9.250 632 HE2 LYS 556 HE2 LYS 556 0.971 5.706 7.503 633 HE3 LYS 556 HE1 LYS 556 0.531 5.366 9.174 634 HZ1 LYS 556 HZ1 LYS 556 2.019 7.262 8.996 635 HZ2 LYS 556 HZ2 LYS 556 3.196 6.301 8.260 636 HZ3 LYS 556 HZ3 LYS 556 2.746 6.005 9.862 637 H ALA 557 HN ALA 557 3.194 1.501 4.103 638 HA ALA 557 HA ALA 557 1.914 3.616 2.805 639 HB1 ALA 557 HB1 ALA 557 3.962 2.422 1.998 640 HB2 ALA 557 HB2 ALA 557 2.736 2.673 0.755 641 HB3 ALA 557 HB3 ALA 557 2.921 1.087 1.501 642 H ILE 558 HN ILE 558 1.156 0.166 2.867 643 HA ILE 558 HA ILE 558 -1.157 0.240 1.298 644 HB ILE 558 HB ILE 558 -0.428 -1.614 3.569 645 HG12 ILE 558 HG12 ILE 558 -0.016 -1.913 0.599 646 HG13 ILE 558 HG11 ILE 558 1.232 -1.435 1.717 647 HG21 ILE 558 HG21 ILE 558 -2.778 -1.815 3.075 648 HG22 ILE 558 HG22 ILE 558 -1.924 -3.222 2.434 649 HG23 ILE 558 HG23 ILE 558 -2.438 -1.932 1.347 650 HD11 ILE 558 HD11 ILE 558 1.415 -3.783 1.147 651 HD12 ILE 558 HD12 ILE 558 -0.225 -4.063 1.735 652 HD13 ILE 558 HD13 ILE 558 1.046 -3.578 2.859 653 H LYS 559 HN LYS 559 -0.732 0.396 4.823 654 HA LYS 559 HA LYS 559 -3.427 0.551 5.521 655 HB2 LYS 559 HB2 LYS 559 -1.667 0.106 7.147 656 HB3 LYS 559 HB1 LYS 559 -1.022 1.724 6.926 657 HG2 LYS 559 HG2 LYS 559 -3.069 2.679 7.841 658 HG3 LYS 559 HG1 LYS 559 -3.737 1.060 8.047 659 HD2 LYS 559 HD2 LYS 559 -1.200 2.033 9.354 660 HD3 LYS 559 HD1 LYS 559 -2.783 2.035 10.131 661 HE2 LYS 559 HE2 LYS 559 -1.356 -0.403 9.071 662 HE3 LYS 559 HE1 LYS 559 -1.428 0.083 10.763 663 HZ1 LYS 559 HZ1 LYS 559 -3.812 -0.199 10.727 664 HZ2 LYS 559 HZ2 LYS 559 -3.063 -1.627 10.229 665 HZ3 LYS 559 HZ3 LYS 559 -3.783 -0.609 9.089 666 H ASP 560 HN ASP 560 -1.108 3.152 4.792 667 HA ASP 560 HA ASP 560 -2.736 5.318 5.464 668 HB2 ASP 560 HB2 ASP 560 -0.481 4.986 3.523 669 HB3 ASP 560 HB1 ASP 560 -1.395 6.490 3.549 670 H ARG 561 HN ARG 561 -2.430 3.635 2.347 671 HA ARG 561 HA ARG 561 -4.300 5.315 1.042 672 HB2 ARG 561 HB2 ARG 561 -2.630 3.976 -0.187 673 HB3 ARG 561 HB1 ARG 561 -3.449 2.504 0.320 674 HG2 ARG 561 HG2 ARG 561 -3.976 3.247 -2.003 675 HG3 ARG 561 HG1 ARG 561 -5.378 3.046 -0.951 676 HD2 ARG 561 HD2 ARG 561 -5.448 5.432 -0.541 677 HD3 ARG 561 HD1 ARG 561 -4.010 5.663 -1.532 678 HE ARG 561 HE ARG 561 -6.682 4.917 -2.512 679 HH11 ARG 561 HH11 ARG 561 -3.420 6.003 -3.153 680 HH12 ARG 561 HH12 ARG 561 -3.822 6.721 -4.684 681 HH21 ARG 561 HH21 ARG 561 -7.227 5.906 -4.508 682 HH22 ARG 561 HH22 ARG 561 -5.979 6.652 -5.460 683 H VAL 562 HN VAL 562 -4.530 2.150 2.605 684 HA VAL 562 HA VAL 562 -7.201 1.634 1.974 685 HB VAL 562 HB VAL 562 -5.542 0.731 4.333 686 HG11 VAL 562 HG11 VAL 562 -7.202 -1.068 4.576 687 HG12 VAL 562 HG12 VAL 562 -8.208 -0.275 3.362 688 HG13 VAL 562 HG13 VAL 562 -7.880 0.527 4.898 689 HG21 VAL 562 HG21 VAL 562 -6.290 -0.694 1.780 690 HG22 VAL 562 HG22 VAL 562 -5.252 -1.310 3.070 691 HG23 VAL 562 HG23 VAL 562 -4.728 0.067 2.099 692 H SER 563 HN SER 563 -5.767 3.547 4.586 693 HA SER 563 HA SER 563 -8.037 3.874 6.151 694 HB2 SER 563 HB2 SER 563 -5.655 5.673 5.689 695 HB3 SER 563 HB1 SER 563 -6.817 5.858 6.981 696 HG SER 563 HG SER 563 -5.035 3.709 6.555 697 H LEU 564 HN LEU 564 -6.821 5.816 3.409 698 HA LEU 564 HA LEU 564 -8.969 7.694 3.609 699 HB2 LEU 564 HB2 LEU 564 -8.102 8.668 1.581 700 HB3 LEU 564 HB1 LEU 564 -6.809 8.346 2.705 701 HG LEU 564 HG LEU 564 -6.647 6.130 1.246 702 HD11 LEU 564 HD11 LEU 564 -7.678 8.229 -0.654 703 HD12 LEU 564 HD12 LEU 564 -8.491 6.725 -0.224 704 HD13 LEU 564 HD13 LEU 564 -6.973 6.682 -1.119 705 HD21 LEU 564 HD21 LEU 564 -5.470 8.822 0.575 706 HD22 LEU 564 HD22 LEU 564 -4.863 7.281 -0.026 707 HD23 LEU 564 HD23 LEU 564 -4.813 7.634 1.701 708 H ILE 565 HN ILE 565 -8.317 4.830 1.768 709 HA ILE 565 HA ILE 565 -10.549 4.826 0.075 710 HB ILE 565 HB ILE 565 -8.932 2.614 1.300 711 HG12 ILE 565 HG12 ILE 565 -9.105 3.676 -1.514 712 HG13 ILE 565 HG11 ILE 565 -7.889 4.144 -0.337 713 HG21 ILE 565 HG21 ILE 565 -9.980 1.075 -0.291 714 HG22 ILE 565 HG22 ILE 565 -11.103 2.345 -0.776 715 HG23 ILE 565 HG23 ILE 565 -11.148 1.709 0.868 716 HD11 ILE 565 HD11 ILE 565 -7.049 2.495 -1.901 717 HD12 ILE 565 HD12 ILE 565 -8.315 1.376 -1.398 718 HD13 ILE 565 HD13 ILE 565 -7.074 1.875 -0.251 719 H LYS 566 HN LYS 566 -10.128 3.323 3.270 720 HA LYS 566 HA LYS 566 -12.790 2.439 3.546 721 HB2 LYS 566 HB2 LYS 566 -10.631 2.960 5.568 722 HB3 LYS 566 HB1 LYS 566 -12.223 2.374 6.025 723 HG2 LYS 566 HG2 LYS 566 -11.893 0.431 4.533 724 HG3 LYS 566 HG1 LYS 566 -10.259 1.005 4.208 725 HD2 LYS 566 HD2 LYS 566 -9.706 0.818 6.569 726 HD3 LYS 566 HD1 LYS 566 -11.350 0.290 6.927 727 HE2 LYS 566 HE2 LYS 566 -11.015 -1.695 5.541 728 HE3 LYS 566 HE1 LYS 566 -9.381 -1.160 5.162 729 HZ1 LYS 566 HZ1 LYS 566 -8.834 -1.323 7.523 730 HZ2 LYS 566 HZ2 LYS 566 -9.353 -2.808 6.904 731 HZ3 LYS 566 HZ3 LYS 566 -10.395 -1.880 7.855 732 H ARG 567 HN ARG 567 -11.342 5.528 4.009 733 HA ARG 567 HA ARG 567 -13.151 6.793 5.677 734 HB2 ARG 567 HB2 ARG 567 -11.087 7.824 4.904 735 HB3 ARG 567 HB1 ARG 567 -11.686 7.848 3.253 736 HG2 ARG 567 HG2 ARG 567 -11.856 10.037 4.150 737 HG3 ARG 567 HG1 ARG 567 -13.482 9.379 3.986 738 HD2 ARG 567 HD2 ARG 567 -13.542 8.865 6.356 739 HD3 ARG 567 HD1 ARG 567 -11.882 9.431 6.540 740 HE ARG 567 HE ARG 567 -13.607 11.432 5.443 741 HH11 ARG 567 HH11 ARG 567 -12.564 9.910 8.423 742 HH12 ARG 567 HH12 ARG 567 -12.969 11.277 9.414 743 HH21 ARG 567 HH21 ARG 567 -14.132 13.237 6.742 744 HH22 ARG 567 HH22 ARG 567 -13.864 13.169 8.456 745 H LYS 568 HN LYS 568 -13.499 5.793 2.332 746 HA LYS 568 HA LYS 568 -15.904 7.284 1.883 747 HB2 LYS 568 HB2 LYS 568 -14.426 6.711 0.025 748 HB3 LYS 568 HB1 LYS 568 -14.636 4.999 0.359 749 HG2 LYS 568 HG2 LYS 568 -16.005 5.550 -1.500 750 HG3 LYS 568 HG1 LYS 568 -17.047 5.278 -0.103 751 HD2 LYS 568 HD2 LYS 568 -17.303 7.656 0.230 752 HD3 LYS 568 HD1 LYS 568 -16.154 7.991 -1.067 753 HE2 LYS 568 HE2 LYS 568 -18.279 8.322 -2.014 754 HE3 LYS 568 HE1 LYS 568 -17.744 6.751 -2.601 755 HZ1 LYS 568 HZ1 LYS 568 -19.122 5.700 -0.886 756 HZ2 LYS 568 HZ2 LYS 568 -20.042 6.669 -1.924 757 HZ3 LYS 568 HZ3 LYS 568 -19.654 7.226 -0.376 758 H ARG 569 HN ARG 569 -15.021 4.127 3.072 759 HA ARG 569 HA ARG 569 -17.564 2.900 2.839 760 HB2 ARG 569 HB2 ARG 569 -15.071 2.326 4.386 761 HB3 ARG 569 HB1 ARG 569 -16.535 1.404 4.689 762 HG2 ARG 569 HG2 ARG 569 -15.077 0.267 3.153 763 HG3 ARG 569 HG1 ARG 569 -16.587 0.692 2.370 764 HD2 ARG 569 HD2 ARG 569 -15.500 2.561 1.269 765 HD3 ARG 569 HD1 ARG 569 -13.994 2.209 2.113 766 HE ARG 569 HE ARG 569 -14.673 -0.106 0.781 767 HH11 ARG 569 HH11 ARG 569 -13.869 3.193 -0.065 768 HH12 ARG 569 HH12 ARG 569 -13.276 2.778 -1.651 769 HH21 ARG 569 HH21 ARG 569 -13.881 -0.654 -1.289 770 HH22 ARG 569 HH22 ARG 569 -13.306 0.606 -2.355 771 H GLU 570 HN GLU 570 -16.191 5.140 5.047 772 HA GLU 570 HA GLU 570 -17.810 4.560 7.306 773 HB2 GLU 570 HB2 GLU 570 -16.183 6.974 6.559 774 HB3 GLU 570 HB1 GLU 570 -17.049 6.823 8.085 775 HG2 GLU 570 HG2 GLU 570 -14.874 5.011 7.083 776 HG3 GLU 570 HG1 GLU 570 -14.729 6.222 8.353 777 H GLN 571 HN GLN 571 -19.714 4.477 5.610 778 HA GLN 571 HA GLN 571 -20.942 7.061 5.163 779 HB2 GLN 571 HB2 GLN 571 -21.869 4.249 4.567 780 HB3 GLN 571 HB1 GLN 571 -22.775 5.699 4.148 781 HG2 GLN 571 HG2 GLN 571 -20.015 5.018 3.170 782 HG3 GLN 571 HG1 GLN 571 -21.510 4.831 2.254 783 HE21 GLN 571 HE21 GLN 571 -19.073 6.482 1.850 784 HE22 GLN 571 HE22 GLN 571 -19.663 8.101 1.638 785 H ARG 572 HN ARG 572 -22.818 7.791 6.098 786 HA ARG 572 HA ARG 572 -23.630 6.399 8.558 787 HB2 ARG 572 HB2 ARG 572 -22.502 8.600 8.883 788 HB3 ARG 572 HB1 ARG 572 -23.774 9.358 7.938 789 HG2 ARG 572 HG2 ARG 572 -25.420 8.708 9.603 790 HG3 ARG 572 HG1 ARG 572 -24.162 7.903 10.544 791 HD2 ARG 572 HD2 ARG 572 -24.246 10.841 9.871 792 HD3 ARG 572 HD1 ARG 572 -24.686 10.136 11.424 793 HE ARG 572 HE ARG 572 -22.203 9.256 11.212 794 HH11 ARG 572 HH11 ARG 572 -23.477 12.436 10.469 795 HH12 ARG 572 HH12 ARG 572 -22.001 13.256 10.867 796 HH21 ARG 572 HH21 ARG 572 -20.259 10.333 11.720 797 HH22 ARG 572 HH22 ARG 572 -20.172 12.062 11.578 Start of MODEL 9 1 H1 GLY 475 HT1 GLY 475 -4.415 15.491 10.267 2 H2 GLY 475 HT2 GLY 475 -4.593 14.815 8.728 3 H3 GLY 475 HT3 GLY 475 -4.287 16.469 8.893 4 HA2 GLY 475 HA1 GLY 475 -2.110 16.001 9.835 5 HA3 GLY 475 HA2 GLY 475 -2.427 14.282 9.634 6 H ALA 476 HN ALA 476 -0.242 15.669 8.500 7 HA ALA 476 HA ALA 476 0.897 15.937 6.556 8 HB1 ALA 476 HB1 ALA 476 0.405 14.367 4.760 9 HB2 ALA 476 HB2 ALA 476 -1.148 13.988 5.503 10 HB3 ALA 476 HB3 ALA 476 0.350 13.567 6.330 11 H MET 477 HN MET 477 -0.430 18.103 6.882 12 HA MET 477 HA MET 477 -2.404 18.790 4.982 13 HB2 MET 477 HB2 MET 477 -2.024 20.101 7.015 14 HB3 MET 477 HB1 MET 477 -0.420 20.540 6.450 15 HG2 MET 477 HG2 MET 477 -1.417 21.747 4.572 16 HG3 MET 477 HG1 MET 477 -3.025 21.315 5.155 17 HE1 MET 477 HE1 MET 477 -2.747 25.170 5.901 18 HE2 MET 477 HE2 MET 477 -3.660 23.913 5.065 19 HE3 MET 477 HE3 MET 477 -2.027 24.315 4.536 20 H ASP 478 HN ASP 478 1.103 19.382 5.050 21 HA ASP 478 HA ASP 478 1.034 20.250 2.270 22 HB2 ASP 478 HB2 ASP 478 3.345 20.864 2.538 23 HB3 ASP 478 HB1 ASP 478 2.458 21.447 3.939 24 HA PRO 479 HA PRO 479 1.926 16.231 0.605 25 HB2 PRO 479 HB2 PRO 479 3.131 17.863 -1.564 26 HB3 PRO 479 HB1 PRO 479 1.891 16.607 -1.661 27 HG2 PRO 479 HG2 PRO 479 1.243 19.167 -1.939 28 HG3 PRO 479 HG1 PRO 479 0.194 18.065 -1.029 29 HD2 PRO 479 HD2 PRO 479 2.145 20.094 -0.005 30 HD3 PRO 479 HD1 PRO 479 0.517 19.705 0.581 31 H GLN 480 HN GLN 480 3.556 15.658 2.096 32 HA GLN 480 HA GLN 480 6.273 15.964 1.020 33 HB2 GLN 480 HB2 GLN 480 6.027 17.345 3.066 34 HB3 GLN 480 HB1 GLN 480 5.524 15.913 3.951 35 HG2 GLN 480 HG2 GLN 480 7.743 14.895 3.356 36 HG3 GLN 480 HG1 GLN 480 8.219 16.485 2.758 37 HE21 GLN 480 HE21 GLN 480 8.519 18.167 4.225 38 HE22 GLN 480 HE22 GLN 480 8.703 17.882 5.921 39 H GLU 481 HN GLU 481 4.488 14.184 3.515 40 HA GLU 481 HA GLU 481 4.413 12.021 4.134 41 HB2 GLU 481 HB2 GLU 481 3.488 11.721 1.863 42 HB3 GLU 481 HB1 GLU 481 5.113 11.458 1.247 43 HG2 GLU 481 HG2 GLU 481 3.922 9.360 1.552 44 HG3 GLU 481 HG1 GLU 481 5.329 9.459 2.609 45 H GLU 482 HN GLU 482 6.034 11.904 5.566 46 HA GLU 482 HA GLU 482 8.787 11.849 4.963 47 HB2 GLU 482 HB2 GLU 482 7.399 12.170 7.227 48 HB3 GLU 482 HB1 GLU 482 7.764 10.462 7.396 49 HG2 GLU 482 HG2 GLU 482 9.836 12.602 6.973 50 HG3 GLU 482 HG1 GLU 482 9.354 11.981 8.549 51 H THR 483 HN THR 483 6.338 9.376 5.244 52 HA THR 483 HA THR 483 8.042 7.117 5.186 53 HB THR 483 HB THR 483 5.338 6.913 3.977 54 HG1 THR 483 HG1 THR 483 4.651 8.282 5.507 55 HG21 THR 483 HG21 THR 483 6.717 5.439 6.226 56 HG22 THR 483 HG22 THR 483 6.681 4.931 4.539 57 HG23 THR 483 HG23 THR 483 5.188 4.986 5.474 58 H GLY 484 HN GLY 484 9.144 6.256 3.497 59 HA2 GLY 484 HA2 GLY 484 8.977 7.617 0.940 60 HA3 GLY 484 HA1 GLY 484 10.144 6.376 1.389 61 H VAL 485 HN VAL 485 6.642 6.148 1.554 62 HA VAL 485 HA VAL 485 6.512 4.539 -0.859 63 HB VAL 485 HB VAL 485 5.032 2.900 0.508 64 HG11 VAL 485 HG11 VAL 485 7.106 2.289 -0.662 65 HG12 VAL 485 HG12 VAL 485 6.889 1.408 0.855 66 HG13 VAL 485 HG13 VAL 485 8.026 2.758 0.771 67 HG21 VAL 485 HG21 VAL 485 5.811 2.553 2.798 68 HG22 VAL 485 HG22 VAL 485 5.098 4.154 2.573 69 HG23 VAL 485 HG23 VAL 485 6.851 3.972 2.645 70 H ARG 486 HN ARG 486 4.379 4.227 -1.586 71 HA ARG 486 HA ARG 486 2.117 5.337 -0.272 72 HB2 ARG 486 HB2 ARG 486 3.048 7.447 -0.840 73 HB3 ARG 486 HB1 ARG 486 3.430 6.915 -2.468 74 HG2 ARG 486 HG2 ARG 486 0.603 7.125 -1.476 75 HG3 ARG 486 HG1 ARG 486 1.464 8.488 -2.203 76 HD2 ARG 486 HD2 ARG 486 0.991 5.791 -3.417 77 HD3 ARG 486 HD1 ARG 486 0.157 7.299 -3.882 78 HE ARG 486 HE ARG 486 3.036 6.732 -4.303 79 HH11 ARG 486 HH11 ARG 486 0.135 8.519 -5.147 80 HH12 ARG 486 HH12 ARG 486 0.901 9.371 -6.452 81 HH21 ARG 486 HH21 ARG 486 4.038 7.864 -5.974 82 HH22 ARG 486 HH22 ARG 486 3.125 8.978 -6.944 83 H VAL 487 HN VAL 487 0.294 4.549 -1.069 84 HA VAL 487 HA VAL 487 0.636 2.746 -3.362 85 HB VAL 487 HB VAL 487 -1.311 2.543 -1.063 86 HG11 VAL 487 HG11 VAL 487 -1.884 0.363 -1.996 87 HG12 VAL 487 HG12 VAL 487 -0.796 0.654 -3.354 88 HG13 VAL 487 HG13 VAL 487 -2.233 1.654 -3.147 89 HG21 VAL 487 HG21 VAL 487 1.099 0.883 -1.757 90 HG22 VAL 487 HG22 VAL 487 0.025 0.642 -0.379 91 HG23 VAL 487 HG23 VAL 487 1.028 2.093 -0.479 92 H GLU 488 HN GLU 488 -0.691 2.823 -5.032 93 HA GLU 488 HA GLU 488 -2.838 4.850 -5.021 94 HB2 GLU 488 HB2 GLU 488 -0.853 4.118 -7.177 95 HB3 GLU 488 HB1 GLU 488 -2.304 5.055 -7.494 96 HG2 GLU 488 HG2 GLU 488 -0.220 5.881 -5.496 97 HG3 GLU 488 HG1 GLU 488 -0.191 6.367 -7.194 98 H LEU 489 HN LEU 489 -4.505 4.432 -6.685 99 HA LEU 489 HA LEU 489 -5.336 1.665 -6.530 100 HB2 LEU 489 HB2 LEU 489 -6.666 4.069 -7.764 101 HB3 LEU 489 HB1 LEU 489 -7.399 2.486 -7.595 102 HG LEU 489 HG LEU 489 -6.473 4.131 -5.248 103 HD11 LEU 489 HD11 LEU 489 -9.197 3.927 -6.529 104 HD12 LEU 489 HD12 LEU 489 -8.177 5.361 -6.443 105 HD13 LEU 489 HD13 LEU 489 -8.865 4.683 -4.970 106 HD21 LEU 489 HD21 LEU 489 -7.868 2.655 -3.950 107 HD22 LEU 489 HD22 LEU 489 -6.737 1.687 -4.898 108 HD23 LEU 489 HD23 LEU 489 -8.416 1.827 -5.410 109 H ALA 490 HN ALA 490 -5.748 0.329 -8.261 110 HA ALA 490 HA ALA 490 -4.358 0.955 -10.753 111 HB1 ALA 490 HB1 ALA 490 -4.023 -1.246 -9.694 112 HB2 ALA 490 HB2 ALA 490 -4.708 -1.377 -11.312 113 HB3 ALA 490 HB3 ALA 490 -5.741 -1.586 -9.899 114 H GLU 491 HN GLU 491 -7.262 1.584 -9.511 115 HA GLU 491 HA GLU 491 -8.669 1.649 -12.035 116 HB2 GLU 491 HB2 GLU 491 -10.609 0.389 -11.054 117 HB3 GLU 491 HB1 GLU 491 -9.183 -0.596 -11.349 118 HG2 GLU 491 HG2 GLU 491 -8.586 -0.327 -8.948 119 HG3 GLU 491 HG1 GLU 491 -10.132 0.477 -8.704 120 H GLU 492 HN GLU 492 -11.101 2.373 -11.356 121 HA GLU 492 HA GLU 492 -10.670 4.785 -9.774 122 HB2 GLU 492 HB2 GLU 492 -12.937 3.973 -11.601 123 HB3 GLU 492 HB1 GLU 492 -12.861 5.495 -10.724 124 HG2 GLU 492 HG2 GLU 492 -10.920 4.560 -12.824 125 HG3 GLU 492 HG1 GLU 492 -12.168 5.792 -13.026 126 H ASP 493 HN ASP 493 -10.641 3.673 -7.754 127 HA ASP 493 HA ASP 493 -12.944 2.276 -6.817 128 HB2 ASP 493 HB2 ASP 493 -10.840 1.743 -5.786 129 HB3 ASP 493 HB1 ASP 493 -10.579 3.427 -5.340 130 H ASP 494 HN ASP 494 -14.819 3.277 -6.525 131 HA ASP 494 HA ASP 494 -15.052 5.380 -4.626 132 HB2 ASP 494 HB2 ASP 494 -14.289 6.585 -6.751 133 HB3 ASP 494 HB1 ASP 494 -15.850 6.150 -7.437 134 H GLY 495 HN GLY 495 -16.077 2.691 -5.345 135 HA2 GLY 495 HA2 GLY 495 -18.940 3.375 -5.386 136 HA3 GLY 495 HA1 GLY 495 -18.304 2.002 -6.279 137 H GLU 496 HN GLU 496 -18.707 0.167 -5.346 138 HA GLU 496 HA GLU 496 -18.828 0.055 -2.408 139 HB2 GLU 496 HB2 GLU 496 -20.738 -1.127 -4.418 140 HB3 GLU 496 HB1 GLU 496 -20.720 -1.586 -2.719 141 HG2 GLU 496 HG2 GLU 496 -21.248 1.174 -3.799 142 HG3 GLU 496 HG1 GLU 496 -22.463 0.045 -3.205 143 H LYS 497 HN LYS 497 -16.689 -0.736 -4.312 144 HA LYS 497 HA LYS 497 -16.668 -3.606 -4.236 145 HB2 LYS 497 HB2 LYS 497 -14.562 -1.577 -4.953 146 HB3 LYS 497 HB1 LYS 497 -14.333 -3.303 -5.052 147 HG2 LYS 497 HG2 LYS 497 -16.246 -3.409 -6.643 148 HG3 LYS 497 HG1 LYS 497 -16.273 -1.646 -6.629 149 HD2 LYS 497 HD2 LYS 497 -15.042 -2.422 -8.560 150 HD3 LYS 497 HD1 LYS 497 -13.936 -1.637 -7.433 151 HE2 LYS 497 HE2 LYS 497 -13.111 -3.745 -6.665 152 HE3 LYS 497 HE1 LYS 497 -14.363 -4.618 -7.545 153 HZ1 LYS 497 HZ1 LYS 497 -12.176 -4.660 -8.644 154 HZ2 LYS 497 HZ2 LYS 497 -12.243 -2.977 -8.831 155 HZ3 LYS 497 HZ3 LYS 497 -13.375 -3.965 -9.609 156 H ILE 498 HN ILE 498 -15.934 -4.827 -2.683 157 HA ILE 498 HA ILE 498 -14.834 -3.628 -0.288 158 HB ILE 498 HB ILE 498 -15.758 -6.406 -0.951 159 HG12 ILE 498 HG12 ILE 498 -17.429 -4.610 -0.515 160 HG13 ILE 498 HG11 ILE 498 -17.494 -5.933 0.633 161 HG21 ILE 498 HG21 ILE 498 -13.828 -6.618 0.520 162 HG22 ILE 498 HG22 ILE 498 -15.317 -7.020 1.378 163 HG23 ILE 498 HG23 ILE 498 -14.544 -5.457 1.639 164 HD11 ILE 498 HD11 ILE 498 -16.232 -4.589 2.242 165 HD12 ILE 498 HD12 ILE 498 -17.754 -3.830 1.773 166 HD13 ILE 498 HD13 ILE 498 -16.233 -3.249 1.093 167 H ALA 499 HN ALA 499 -13.890 -5.617 -2.963 168 HA ALA 499 HA ALA 499 -11.154 -5.711 -1.900 169 HB1 ALA 499 HB1 ALA 499 -12.532 -7.520 -3.859 170 HB2 ALA 499 HB2 ALA 499 -12.059 -7.903 -2.202 171 HB3 ALA 499 HB3 ALA 499 -10.823 -7.615 -3.431 172 H ILE 500 HN ILE 500 -9.703 -4.524 -2.874 173 HA ILE 500 HA ILE 500 -10.406 -3.325 -5.469 174 HB ILE 500 HB ILE 500 -9.250 -1.330 -4.774 175 HG12 ILE 500 HG12 ILE 500 -8.611 -2.892 -2.267 176 HG13 ILE 500 HG11 ILE 500 -7.468 -2.259 -3.442 177 HG21 ILE 500 HG21 ILE 500 -11.576 -1.517 -4.159 178 HG22 ILE 500 HG22 ILE 500 -10.694 -0.648 -2.904 179 HG23 ILE 500 HG23 ILE 500 -11.132 -2.339 -2.663 180 HD11 ILE 500 HD11 ILE 500 -9.229 -0.607 -1.662 181 HD12 ILE 500 HD12 ILE 500 -8.036 0.001 -2.809 182 HD13 ILE 500 HD13 ILE 500 -7.516 -0.934 -1.407 183 H LYS 501 HN LYS 501 -8.378 -2.340 -6.508 184 HA LYS 501 HA LYS 501 -6.124 -4.221 -6.251 185 HB2 LYS 501 HB2 LYS 501 -7.388 -4.459 -8.386 186 HB3 LYS 501 HB1 LYS 501 -7.018 -2.780 -8.756 187 HG2 LYS 501 HG2 LYS 501 -5.473 -4.102 -9.959 188 HG3 LYS 501 HG1 LYS 501 -4.585 -3.395 -8.609 189 HD2 LYS 501 HD2 LYS 501 -3.882 -5.614 -8.609 190 HD3 LYS 501 HD1 LYS 501 -5.145 -5.593 -7.379 191 HE2 LYS 501 HE2 LYS 501 -5.387 -7.539 -8.805 192 HE3 LYS 501 HE1 LYS 501 -6.748 -6.441 -9.033 193 HZ1 LYS 501 HZ1 LYS 501 -4.383 -6.387 -10.814 194 HZ2 LYS 501 HZ2 LYS 501 -5.927 -5.746 -11.089 195 HZ3 LYS 501 HZ3 LYS 501 -5.696 -7.418 -11.097 196 H LEU 502 HN LEU 502 -4.370 -3.299 -5.483 197 HA LEU 502 HA LEU 502 -3.978 -0.401 -5.866 198 HB2 LEU 502 HB2 LEU 502 -3.094 -2.197 -3.608 199 HB3 LEU 502 HB1 LEU 502 -2.719 -0.491 -3.746 200 HG LEU 502 HG LEU 502 -5.545 -1.511 -3.585 201 HD11 LEU 502 HD11 LEU 502 -4.357 -2.247 -1.602 202 HD12 LEU 502 HD12 LEU 502 -5.461 -0.930 -1.207 203 HD13 LEU 502 HD13 LEU 502 -3.732 -0.618 -1.350 204 HD21 LEU 502 HD21 LEU 502 -5.122 0.770 -4.480 205 HD22 LEU 502 HD22 LEU 502 -4.363 1.184 -2.944 206 HD23 LEU 502 HD23 LEU 502 -6.070 0.747 -2.994 207 H TRP 503 HN TRP 503 -1.791 0.324 -6.136 208 HA TRP 503 HA TRP 503 0.194 -1.793 -6.615 209 HB2 TRP 503 HB2 TRP 503 -0.158 0.801 -8.111 210 HB3 TRP 503 HB1 TRP 503 1.300 -0.167 -8.199 211 HD1 TRP 503 HD1 TRP 503 -2.477 -0.785 -8.781 212 HE1 TRP 503 HE1 TRP 503 -2.746 -2.211 -10.907 213 HE3 TRP 503 HE3 TRP 503 2.446 -1.545 -9.873 214 HZ2 TRP 503 HZ2 TRP 503 -1.092 -3.493 -12.783 215 HZ3 TRP 503 HZ3 TRP 503 3.015 -2.901 -11.839 216 HH2 TRP 503 HH2 TRP 503 1.287 -3.854 -13.262 217 H LEU 504 HN LEU 504 1.691 -1.756 -5.102 218 HA LEU 504 HA LEU 504 2.077 0.462 -3.338 219 HB2 LEU 504 HB2 LEU 504 2.388 -1.800 -2.537 220 HB3 LEU 504 HB1 LEU 504 3.628 -2.091 -3.732 221 HG LEU 504 HG LEU 504 4.994 -0.291 -2.591 222 HD11 LEU 504 HD11 LEU 504 4.432 0.196 -0.260 223 HD12 LEU 504 HD12 LEU 504 2.905 -0.665 -0.455 224 HD13 LEU 504 HD13 LEU 504 3.210 0.807 -1.376 225 HD21 LEU 504 HD21 LEU 504 4.291 -2.757 -1.007 226 HD22 LEU 504 HD22 LEU 504 5.763 -1.797 -0.836 227 HD23 LEU 504 HD23 LEU 504 5.447 -2.674 -2.335 228 H ARG 505 HN ARG 505 3.002 2.251 -4.087 229 HA ARG 505 HA ARG 505 5.244 2.029 -5.946 230 HB2 ARG 505 HB2 ARG 505 3.598 4.397 -5.079 231 HB3 ARG 505 HB1 ARG 505 4.964 4.486 -6.174 232 HG2 ARG 505 HG2 ARG 505 3.734 2.855 -7.651 233 HG3 ARG 505 HG1 ARG 505 2.329 3.128 -6.617 234 HD2 ARG 505 HD2 ARG 505 2.410 5.505 -7.113 235 HD3 ARG 505 HD1 ARG 505 3.844 5.256 -8.106 236 HE ARG 505 HE ARG 505 1.369 3.855 -8.816 237 HH11 ARG 505 HH11 ARG 505 3.745 6.329 -9.543 238 HH12 ARG 505 HH12 ARG 505 3.209 6.533 -11.180 239 HH21 ARG 505 HH21 ARG 505 0.665 4.127 -10.966 240 HH22 ARG 505 HH22 ARG 505 1.451 5.289 -11.987 241 H ILE 506 HN ILE 506 7.277 2.312 -5.279 242 HA ILE 506 HA ILE 506 7.780 3.176 -2.563 243 HB ILE 506 HB ILE 506 9.897 2.739 -4.656 244 HG12 ILE 506 HG12 ILE 506 8.508 0.709 -4.573 245 HG13 ILE 506 HG11 ILE 506 10.097 0.421 -3.876 246 HG21 ILE 506 HG21 ILE 506 10.682 3.865 -2.728 247 HG22 ILE 506 HG22 ILE 506 11.257 2.197 -2.653 248 HG23 ILE 506 HG23 ILE 506 9.888 2.705 -1.663 249 HD11 ILE 506 HD11 ILE 506 9.122 0.662 -1.634 250 HD12 ILE 506 HD12 ILE 506 8.408 -0.659 -2.558 251 HD13 ILE 506 HD13 ILE 506 7.532 0.862 -2.370 252 H GLU 507 HN GLU 507 7.806 5.234 -2.068 253 HA GLU 507 HA GLU 507 7.960 7.278 -4.053 254 HB2 GLU 507 HB2 GLU 507 7.852 7.347 -1.041 255 HB3 GLU 507 HB1 GLU 507 7.787 8.774 -2.062 256 HG2 GLU 507 HG2 GLU 507 5.816 6.513 -2.092 257 HG3 GLU 507 HG1 GLU 507 5.591 8.066 -1.290 258 H ASP 508 HN ASP 508 10.040 5.964 -1.575 259 HA ASP 508 HA ASP 508 12.343 7.213 -2.824 260 HB2 ASP 508 HB2 ASP 508 11.543 8.857 -1.112 261 HB3 ASP 508 HB1 ASP 508 11.760 7.618 0.120 262 H ILE 509 HN ILE 509 13.576 5.467 -3.163 263 HA ILE 509 HA ILE 509 13.206 3.097 -1.628 264 HB ILE 509 HB ILE 509 14.849 2.077 -3.066 265 HG12 ILE 509 HG12 ILE 509 15.627 3.815 -4.985 266 HG13 ILE 509 HG11 ILE 509 15.634 4.871 -3.578 267 HG21 ILE 509 HG21 ILE 509 12.652 2.274 -3.980 268 HG22 ILE 509 HG22 ILE 509 13.819 2.555 -5.270 269 HG23 ILE 509 HG23 ILE 509 12.977 3.917 -4.529 270 HD11 ILE 509 HD11 ILE 509 17.140 3.342 -2.430 271 HD12 ILE 509 HD12 ILE 509 17.825 3.891 -3.961 272 HD13 ILE 509 HD13 ILE 509 17.130 2.273 -3.833 273 H LYS 510 HN LYS 510 15.180 5.842 -1.296 274 HA LYS 510 HA LYS 510 17.434 4.677 -0.004 275 HB2 LYS 510 HB2 LYS 510 16.368 7.494 0.242 276 HB3 LYS 510 HB1 LYS 510 17.995 6.956 0.612 277 HG2 LYS 510 HG2 LYS 510 16.778 6.841 -2.132 278 HG3 LYS 510 HG1 LYS 510 17.758 8.181 -1.537 279 HD2 LYS 510 HD2 LYS 510 19.651 6.702 -1.229 280 HD3 LYS 510 HD1 LYS 510 18.674 5.314 -1.716 281 HE2 LYS 510 HE2 LYS 510 20.115 6.116 -3.534 282 HE3 LYS 510 HE1 LYS 510 18.406 6.242 -3.935 283 HZ1 LYS 510 HZ1 LYS 510 19.545 8.219 -4.621 284 HZ2 LYS 510 HZ2 LYS 510 20.190 8.453 -3.076 285 HZ3 LYS 510 HZ3 LYS 510 18.526 8.613 -3.330 286 H LYS 511 HN LYS 511 14.290 5.786 0.981 287 HA LYS 511 HA LYS 511 14.682 5.866 3.767 288 HB2 LYS 511 HB2 LYS 511 12.261 5.448 2.025 289 HB3 LYS 511 HB1 LYS 511 12.158 5.513 3.770 290 HG2 LYS 511 HG2 LYS 511 13.290 7.718 2.072 291 HG3 LYS 511 HG1 LYS 511 11.616 7.649 2.625 292 HD2 LYS 511 HD2 LYS 511 14.056 7.723 4.401 293 HD3 LYS 511 HD1 LYS 511 12.990 9.087 4.060 294 HE2 LYS 511 HE2 LYS 511 11.111 7.808 5.034 295 HE3 LYS 511 HE1 LYS 511 12.238 6.520 5.450 296 HZ1 LYS 511 HZ1 LYS 511 12.266 9.301 6.483 297 HZ2 LYS 511 HZ2 LYS 511 13.456 8.137 6.815 298 HZ3 LYS 511 HZ3 LYS 511 11.871 7.899 7.344 299 H LEU 512 HN LEU 512 14.537 3.270 1.579 300 HA LEU 512 HA LEU 512 13.671 1.375 3.642 301 HB2 LEU 512 HB2 LEU 512 14.059 0.815 0.715 302 HB3 LEU 512 HB1 LEU 512 13.116 -0.100 1.878 303 HG LEU 512 HG LEU 512 12.433 2.663 0.871 304 HD11 LEU 512 HD11 LEU 512 11.314 -0.045 0.209 305 HD12 LEU 512 HD12 LEU 512 12.155 1.064 -0.875 306 HD13 LEU 512 HD13 LEU 512 10.565 1.486 -0.239 307 HD21 LEU 512 HD21 LEU 512 11.652 2.280 3.149 308 HD22 LEU 512 HD22 LEU 512 10.884 0.775 2.641 309 HD23 LEU 512 HD23 LEU 512 10.305 2.320 2.011 310 H LYS 513 HN LYS 513 14.791 -0.725 3.688 311 HA LYS 513 HA LYS 513 17.683 -0.356 3.275 312 HB2 LYS 513 HB2 LYS 513 16.245 -2.329 5.056 313 HB3 LYS 513 HB1 LYS 513 17.984 -2.120 4.949 314 HG2 LYS 513 HG2 LYS 513 16.005 -0.088 5.956 315 HG3 LYS 513 HG1 LYS 513 17.109 -1.052 6.937 316 HD2 LYS 513 HD2 LYS 513 19.009 0.017 5.729 317 HD3 LYS 513 HD1 LYS 513 17.845 1.062 4.914 318 HE2 LYS 513 HE2 LYS 513 18.799 2.232 6.798 319 HE3 LYS 513 HE1 LYS 513 17.097 1.897 7.111 320 HZ1 LYS 513 HZ1 LYS 513 19.388 0.333 8.170 321 HZ2 LYS 513 HZ2 LYS 513 17.760 0.019 8.478 322 HZ3 LYS 513 HZ3 LYS 513 18.465 1.443 9.049 323 H GLY 514 HN GLY 514 15.228 -1.507 1.628 324 HA2 GLY 514 HA2 GLY 514 16.556 -3.970 0.731 325 HA3 GLY 514 HA1 GLY 514 14.892 -3.520 0.383 326 H LYS 515 HN LYS 515 15.875 -4.223 -1.810 327 HA LYS 515 HA LYS 515 17.139 -1.896 -3.103 328 HB2 LYS 515 HB2 LYS 515 17.156 -4.798 -3.979 329 HB3 LYS 515 HB1 LYS 515 17.910 -3.470 -4.843 330 HG2 LYS 515 HG2 LYS 515 19.671 -4.497 -3.723 331 HG3 LYS 515 HG1 LYS 515 19.285 -3.101 -2.717 332 HD2 LYS 515 HD2 LYS 515 17.879 -4.615 -1.303 333 HD3 LYS 515 HD1 LYS 515 18.498 -5.974 -2.243 334 HE2 LYS 515 HE2 LYS 515 20.179 -4.039 -0.658 335 HE3 LYS 515 HE1 LYS 515 19.708 -5.650 -0.122 336 HZ1 LYS 515 HZ1 LYS 515 21.318 -5.083 -2.548 337 HZ2 LYS 515 HZ2 LYS 515 20.946 -6.609 -1.922 338 HZ3 LYS 515 HZ3 LYS 515 21.954 -5.564 -1.060 339 H TYR 516 HN TYR 516 15.675 -0.705 -4.139 340 HA TYR 516 HA TYR 516 13.582 -2.058 -5.678 341 HB2 TYR 516 HB2 TYR 516 13.074 0.279 -3.823 342 HB3 TYR 516 HB1 TYR 516 11.880 -0.511 -4.846 343 HD1 TYR 516 HD1 TYR 516 11.205 -2.846 -4.348 344 HD2 TYR 516 HD2 TYR 516 13.645 -0.595 -1.696 345 HE1 TYR 516 HE1 TYR 516 10.633 -4.387 -2.525 346 HE2 TYR 516 HE2 TYR 516 13.084 -2.134 0.136 347 HH TYR 516 HH TYR 516 11.159 -3.672 0.679 348 H LYS 517 HN LYS 517 12.785 -0.889 -7.429 349 HA LYS 517 HA LYS 517 14.523 1.069 -8.580 350 HB2 LYS 517 HB2 LYS 517 11.749 0.171 -9.402 351 HB3 LYS 517 HB1 LYS 517 12.822 1.163 -10.378 352 HG2 LYS 517 HG2 LYS 517 14.354 -0.629 -10.661 353 HG3 LYS 517 HG1 LYS 517 13.523 -1.611 -9.455 354 HD2 LYS 517 HD2 LYS 517 12.991 -2.341 -11.731 355 HD3 LYS 517 HD1 LYS 517 11.561 -1.742 -10.893 356 HE2 LYS 517 HE2 LYS 517 11.791 0.405 -12.051 357 HE3 LYS 517 HE1 LYS 517 13.214 -0.205 -12.895 358 HZ1 LYS 517 HZ1 LYS 517 10.471 -1.324 -13.109 359 HZ2 LYS 517 HZ2 LYS 517 11.835 -1.886 -13.936 360 HZ3 LYS 517 HZ3 LYS 517 11.226 -0.345 -14.265 361 H ASP 518 HN ASP 518 14.153 3.280 -8.853 362 HA ASP 518 HA ASP 518 12.446 4.516 -6.887 363 HB2 ASP 518 HB2 ASP 518 14.720 5.392 -7.501 364 HB3 ASP 518 HB1 ASP 518 14.060 5.864 -9.064 365 H ASN 519 HN ASN 519 11.110 2.982 -8.743 366 HA ASN 519 HA ASN 519 8.978 4.681 -9.472 367 HB2 ASN 519 HB2 ASN 519 10.543 5.140 -11.373 368 HB3 ASN 519 HB1 ASN 519 10.530 3.424 -11.756 369 HD21 ASN 519 HD21 ASN 519 7.709 5.247 -10.712 370 HD22 ASN 519 HD22 ASN 519 6.867 5.145 -12.218 371 H GLU 520 HN GLU 520 9.630 2.308 -7.936 372 HA GLU 520 HA GLU 520 8.627 0.048 -9.425 373 HB2 GLU 520 HB2 GLU 520 10.494 -0.266 -7.859 374 HB3 GLU 520 HB1 GLU 520 9.476 0.270 -6.529 375 HG2 GLU 520 HG2 GLU 520 9.641 -2.130 -6.516 376 HG3 GLU 520 HG1 GLU 520 7.992 -1.651 -6.912 377 H ALA 521 HN ALA 521 6.662 -0.732 -9.356 378 HA ALA 521 HA ALA 521 4.854 0.065 -7.194 379 HB1 ALA 521 HB1 ALA 521 4.385 1.532 -9.117 380 HB2 ALA 521 HB2 ALA 521 3.034 0.462 -8.742 381 HB3 ALA 521 HB3 ALA 521 4.085 0.106 -10.113 382 H ILE 522 HN ILE 522 4.370 -1.669 -6.224 383 HA ILE 522 HA ILE 522 4.236 -4.220 -7.624 384 HB ILE 522 HB ILE 522 4.210 -3.555 -4.686 385 HG12 ILE 522 HG12 ILE 522 6.415 -4.618 -6.454 386 HG13 ILE 522 HG11 ILE 522 6.328 -3.002 -5.775 387 HG21 ILE 522 HG21 ILE 522 4.457 -6.226 -6.073 388 HG22 ILE 522 HG22 ILE 522 3.071 -5.666 -5.136 389 HG23 ILE 522 HG23 ILE 522 4.617 -5.955 -4.338 390 HD11 ILE 522 HD11 ILE 522 7.867 -4.621 -4.614 391 HD12 ILE 522 HD12 ILE 522 6.415 -5.461 -4.067 392 HD13 ILE 522 HD13 ILE 522 6.697 -3.789 -3.590 393 H GLU 523 HN GLU 523 2.272 -4.578 -8.482 394 HA GLU 523 HA GLU 523 -0.163 -3.537 -7.453 395 HB2 GLU 523 HB2 GLU 523 -0.072 -3.997 -9.762 396 HB3 GLU 523 HB1 GLU 523 0.492 -5.640 -9.510 397 HG2 GLU 523 HG2 GLU 523 -1.761 -6.032 -8.358 398 HG3 GLU 523 HG1 GLU 523 -2.240 -4.486 -9.060 399 H PHE 524 HN PHE 524 -1.527 -4.339 -5.988 400 HA PHE 524 HA PHE 524 -1.635 -7.178 -5.427 401 HB2 PHE 524 HB2 PHE 524 -1.376 -6.941 -3.006 402 HB3 PHE 524 HB1 PHE 524 0.079 -6.407 -3.839 403 HD1 PHE 524 HD2 PHE 524 0.522 -3.960 -4.056 404 HD2 PHE 524 HD1 PHE 524 -2.574 -5.494 -1.574 405 HE1 PHE 524 HE2 PHE 524 0.403 -1.807 -2.878 406 HE2 PHE 524 HE1 PHE 524 -2.696 -3.339 -0.394 407 HZ PHE 524 HZ PHE 524 -1.117 -1.577 -0.890 408 H SER 525 HN SER 525 -3.609 -7.828 -4.581 409 HA SER 525 HA SER 525 -5.734 -5.842 -4.775 410 HB2 SER 525 HB2 SER 525 -5.855 -8.852 -4.429 411 HB3 SER 525 HB1 SER 525 -7.246 -7.797 -4.681 412 HG SER 525 HG SER 525 -5.061 -8.124 -6.473 413 H PHE 526 HN PHE 526 -7.112 -5.292 -3.059 414 HA PHE 526 HA PHE 526 -6.335 -6.389 -0.439 415 HB2 PHE 526 HB2 PHE 526 -5.332 -4.078 -0.957 416 HB3 PHE 526 HB1 PHE 526 -6.977 -3.473 -0.848 417 HD1 PHE 526 HD1 PHE 526 -8.180 -3.519 1.275 418 HD2 PHE 526 HD2 PHE 526 -4.106 -4.712 0.995 419 HE1 PHE 526 HE1 PHE 526 -7.964 -3.341 3.717 420 HE2 PHE 526 HE2 PHE 526 -3.883 -4.538 3.442 421 HZ PHE 526 HZ PHE 526 -5.762 -3.791 4.797 422 H ASP 527 HN ASP 527 -8.057 -7.396 0.304 423 HA ASP 527 HA ASP 527 -10.724 -6.380 -0.187 424 HB2 ASP 527 HB2 ASP 527 -10.156 -8.842 -0.002 425 HB3 ASP 527 HB1 ASP 527 -9.904 -8.574 1.719 426 H LEU 528 HN LEU 528 -11.493 -4.755 0.939 427 HA LEU 528 HA LEU 528 -10.019 -3.535 2.991 428 HB2 LEU 528 HB2 LEU 528 -12.888 -3.114 2.169 429 HB3 LEU 528 HB1 LEU 528 -11.953 -2.027 3.171 430 HG LEU 528 HG LEU 528 -11.299 -2.713 0.308 431 HD11 LEU 528 HD11 LEU 528 -12.505 -0.222 1.492 432 HD12 LEU 528 HD12 LEU 528 -13.343 -1.401 0.482 433 HD13 LEU 528 HD13 LEU 528 -12.023 -0.442 -0.189 434 HD21 LEU 528 HD21 LEU 528 -9.341 -2.142 1.691 435 HD22 LEU 528 HD22 LEU 528 -10.120 -0.625 2.134 436 HD23 LEU 528 HD23 LEU 528 -9.670 -0.931 0.457 437 H GLU 529 HN GLU 529 -12.405 -6.011 3.132 438 HA GLU 529 HA GLU 529 -12.882 -5.476 5.980 439 HB2 GLU 529 HB2 GLU 529 -14.359 -7.244 4.023 440 HB3 GLU 529 HB1 GLU 529 -14.772 -7.073 5.724 441 HG2 GLU 529 HG2 GLU 529 -14.765 -4.841 3.708 442 HG3 GLU 529 HG1 GLU 529 -16.194 -5.725 4.243 443 H ARG 530 HN ARG 530 -11.471 -7.788 3.782 444 HA ARG 530 HA ARG 530 -11.130 -9.715 5.962 445 HB2 ARG 530 HB2 ARG 530 -10.967 -10.022 2.968 446 HB3 ARG 530 HB1 ARG 530 -10.691 -11.312 4.121 447 HG2 ARG 530 HG2 ARG 530 -12.923 -11.337 4.816 448 HG3 ARG 530 HG1 ARG 530 -13.242 -9.754 4.107 449 HD2 ARG 530 HD2 ARG 530 -12.925 -10.729 1.866 450 HD3 ARG 530 HD1 ARG 530 -12.698 -12.311 2.610 451 HE ARG 530 HE ARG 530 -14.975 -12.336 3.214 452 HH11 ARG 530 HH11 ARG 530 -14.109 -9.463 1.388 453 HH12 ARG 530 HH12 ARG 530 -15.757 -9.087 0.984 454 HH21 ARG 530 HH21 ARG 530 -17.135 -11.817 2.674 455 HH22 ARG 530 HH22 ARG 530 -17.462 -10.416 1.703 456 H ASP 531 HN ASP 531 -9.284 -8.044 3.416 457 HA ASP 531 HA ASP 531 -6.849 -9.416 4.055 458 HB2 ASP 531 HB2 ASP 531 -7.603 -7.246 2.161 459 HB3 ASP 531 HB1 ASP 531 -5.908 -7.385 2.615 460 H VAL 532 HN VAL 532 -4.979 -8.568 4.942 461 HA VAL 532 HA VAL 532 -5.353 -6.210 6.661 462 HB VAL 532 HB VAL 532 -3.826 -8.753 7.250 463 HG11 VAL 532 HG11 VAL 532 -3.209 -7.740 9.382 464 HG12 VAL 532 HG12 VAL 532 -3.993 -6.234 8.901 465 HG13 VAL 532 HG13 VAL 532 -2.568 -6.802 8.033 466 HG21 VAL 532 HG21 VAL 532 -5.367 -8.909 9.160 467 HG22 VAL 532 HG22 VAL 532 -6.216 -8.935 7.614 468 HG23 VAL 532 HG23 VAL 532 -6.199 -7.463 8.587 469 HA PRO 533 HA PRO 533 -2.117 -4.323 4.336 470 HB2 PRO 533 HB2 PRO 533 -1.427 -2.992 6.883 471 HB3 PRO 533 HB1 PRO 533 -1.861 -2.284 5.327 472 HG2 PRO 533 HG2 PRO 533 -3.539 -2.319 7.434 473 HG3 PRO 533 HG1 PRO 533 -4.103 -2.400 5.773 474 HD2 PRO 533 HD2 PRO 533 -3.948 -4.512 7.833 475 HD3 PRO 533 HD1 PRO 533 -5.082 -4.335 6.483 476 H GLU 534 HN GLU 534 -1.337 -5.424 7.624 477 HA GLU 534 HA GLU 534 1.454 -5.606 7.144 478 HB2 GLU 534 HB2 GLU 534 -0.284 -6.844 9.279 479 HB3 GLU 534 HB1 GLU 534 1.470 -6.902 9.272 480 HG2 GLU 534 HG2 GLU 534 1.512 -4.432 9.318 481 HG3 GLU 534 HG1 GLU 534 -0.243 -4.444 9.452 482 H ASP 535 HN ASP 535 -1.241 -7.799 6.787 483 HA ASP 535 HA ASP 535 0.295 -10.177 6.539 484 HB2 ASP 535 HB2 ASP 535 -2.091 -10.242 7.097 485 HB3 ASP 535 HB1 ASP 535 -2.485 -9.536 5.537 486 H VAL 536 HN VAL 536 -1.198 -7.977 4.203 487 HA VAL 536 HA VAL 536 -0.354 -9.258 1.864 488 HB VAL 536 HB VAL 536 -0.787 -6.298 2.311 489 HG11 VAL 536 HG11 VAL 536 0.505 -6.788 0.279 490 HG12 VAL 536 HG12 VAL 536 -1.099 -6.147 -0.088 491 HG13 VAL 536 HG13 VAL 536 -0.776 -7.876 -0.259 492 HG21 VAL 536 HG21 VAL 536 -3.020 -6.715 1.388 493 HG22 VAL 536 HG22 VAL 536 -2.752 -7.615 2.883 494 HG23 VAL 536 HG23 VAL 536 -2.666 -8.442 1.325 495 H ALA 537 HN ALA 537 1.256 -6.796 3.848 496 HA ALA 537 HA ALA 537 3.495 -6.469 2.152 497 HB1 ALA 537 HB1 ALA 537 4.560 -5.376 4.039 498 HB2 ALA 537 HB2 ALA 537 3.322 -6.008 5.126 499 HB3 ALA 537 HB3 ALA 537 2.886 -4.842 3.879 500 H GLN 538 HN GLN 538 2.676 -8.864 4.550 501 HA GLN 538 HA GLN 538 5.313 -9.983 4.703 502 HB2 GLN 538 HB2 GLN 538 2.600 -10.866 5.606 503 HB3 GLN 538 HB1 GLN 538 3.927 -12.019 5.579 504 HG2 GLN 538 HG2 GLN 538 3.948 -9.393 7.032 505 HG3 GLN 538 HG1 GLN 538 3.627 -10.961 7.771 506 HE21 GLN 538 HE21 GLN 538 5.554 -12.379 6.186 507 HE22 GLN 538 HE22 GLN 538 7.119 -11.932 6.767 508 H GLU 539 HN GLU 539 2.353 -10.712 2.918 509 HA GLU 539 HA GLU 539 3.270 -12.859 1.390 510 HB2 GLU 539 HB2 GLU 539 1.494 -10.585 0.468 511 HB3 GLU 539 HB1 GLU 539 1.601 -12.177 -0.266 512 HG2 GLU 539 HG2 GLU 539 0.638 -11.641 2.530 513 HG3 GLU 539 HG1 GLU 539 -0.404 -11.861 1.128 514 H MET 540 HN MET 540 3.598 -9.391 0.947 515 HA MET 540 HA MET 540 4.985 -9.291 -1.443 516 HB2 MET 540 HB2 MET 540 5.126 -7.567 1.013 517 HB3 MET 540 HB1 MET 540 6.028 -7.199 -0.451 518 HG2 MET 540 HG2 MET 540 3.954 -7.133 -1.720 519 HG3 MET 540 HG1 MET 540 3.050 -7.495 -0.252 520 HE1 MET 540 HE1 MET 540 2.734 -5.106 -2.350 521 HE2 MET 540 HE2 MET 540 2.319 -3.759 -1.285 522 HE3 MET 540 HE3 MET 540 1.604 -5.352 -1.019 523 H VAL 541 HN VAL 541 6.221 -9.715 1.840 524 HA VAL 541 HA VAL 541 8.959 -9.811 1.170 525 HB VAL 541 HB VAL 541 7.525 -11.025 3.540 526 HG11 VAL 541 HG11 VAL 541 9.735 -12.024 3.195 527 HG12 VAL 541 HG12 VAL 541 9.693 -11.022 4.646 528 HG13 VAL 541 HG13 VAL 541 10.456 -10.413 3.177 529 HG21 VAL 541 HG21 VAL 541 8.960 -8.389 3.253 530 HG22 VAL 541 HG22 VAL 541 8.208 -9.011 4.723 531 HG23 VAL 541 HG23 VAL 541 7.211 -8.608 3.323 532 H GLU 542 HN GLU 542 6.592 -12.405 1.768 533 HA GLU 542 HA GLU 542 8.424 -14.526 1.457 534 HB2 GLU 542 HB2 GLU 542 5.430 -14.512 1.091 535 HB3 GLU 542 HB1 GLU 542 6.427 -15.951 1.259 536 HG2 GLU 542 HG2 GLU 542 7.112 -15.155 3.501 537 HG3 GLU 542 HG1 GLU 542 5.992 -13.806 3.324 538 H SER 543 HN SER 543 6.465 -12.769 -0.860 539 HA SER 543 HA SER 543 6.935 -14.714 -2.929 540 HB2 SER 543 HB2 SER 543 5.707 -11.961 -3.150 541 HB3 SER 543 HB1 SER 543 5.616 -13.248 -4.353 542 HG SER 543 HG SER 543 4.277 -12.963 -1.925 543 H GLY 544 HN GLY 544 8.840 -12.391 -1.584 544 HA2 GLY 544 HA2 GLY 544 11.018 -11.887 -2.239 545 HA3 GLY 544 HA1 GLY 544 10.666 -12.541 -3.830 546 H TYR 545 HN TYR 545 8.608 -10.131 -2.378 547 HA TYR 545 HA TYR 545 9.456 -8.213 -4.426 548 HB2 TYR 545 HB2 TYR 545 7.050 -8.287 -2.603 549 HB3 TYR 545 HB1 TYR 545 7.423 -6.952 -3.677 550 HD1 TYR 545 HD2 TYR 545 7.793 -7.669 -6.210 551 HD2 TYR 545 HD1 TYR 545 5.579 -9.896 -3.345 552 HE1 TYR 545 HE2 TYR 545 6.601 -8.813 -8.030 553 HE2 TYR 545 HE1 TYR 545 4.382 -11.051 -5.157 554 HH TYR 545 HH TYR 545 3.813 -10.669 -7.526 555 H VAL 546 HN VAL 546 8.824 -8.424 -0.958 556 HA VAL 546 HA VAL 546 10.270 -5.887 -0.566 557 HB VAL 546 HB VAL 546 7.922 -7.047 0.944 558 HG11 VAL 546 HG11 VAL 546 9.570 -6.012 2.483 559 HG12 VAL 546 HG12 VAL 546 8.009 -5.194 2.445 560 HG13 VAL 546 HG13 VAL 546 9.389 -4.500 1.590 561 HG21 VAL 546 HG21 VAL 546 6.759 -5.054 0.220 562 HG22 VAL 546 HG22 VAL 546 7.428 -5.892 -1.180 563 HG23 VAL 546 HG23 VAL 546 8.223 -4.448 -0.554 564 H CYS 547 HN CYS 547 11.634 -5.717 1.239 565 HA CYS 547 HA CYS 547 12.763 -8.214 2.183 566 HB2 CYS 547 HB2 CYS 547 14.201 -6.269 1.543 567 HB3 CYS 547 HB1 CYS 547 13.514 -5.361 2.886 568 HG CYS 547 HG CYS 547 15.678 -7.985 2.983 569 H GLU 548 HN GLU 548 12.707 -8.930 4.292 570 HA GLU 548 HA GLU 548 10.284 -8.494 5.632 571 HB2 GLU 548 HB2 GLU 548 11.250 -9.973 7.398 572 HB3 GLU 548 HB1 GLU 548 11.303 -10.632 5.774 573 HG2 GLU 548 HG2 GLU 548 13.365 -11.195 6.650 574 HG3 GLU 548 HG1 GLU 548 13.711 -9.750 5.708 575 H GLY 549 HN GLY 549 13.147 -6.698 5.811 576 HA2 GLY 549 HA2 GLY 549 12.671 -5.811 8.547 577 HA3 GLY 549 HA1 GLY 549 14.011 -5.331 7.515 578 H ASP 550 HN ASP 550 11.715 -4.921 5.418 579 HA ASP 550 HA ASP 550 11.127 -2.181 6.301 580 HB2 ASP 550 HB2 ASP 550 11.428 -3.355 3.536 581 HB3 ASP 550 HB1 ASP 550 10.766 -1.751 3.826 582 H HIS 551 HN HIS 551 9.716 -4.785 6.783 583 HA HIS 551 HA HIS 551 7.307 -4.923 5.350 584 HB2 HIS 551 HB2 HIS 551 7.956 -6.790 6.693 585 HB3 HIS 551 HB1 HIS 551 8.079 -5.798 8.141 586 HD1 HIS 551 HD1 HIS 551 5.933 -5.340 9.451 587 HD2 HIS 551 HD2 HIS 551 5.337 -7.540 5.980 588 HE1 HIS 551 HE1 HIS 551 3.557 -6.147 9.566 589 HE2 HIS 551 HE2 HIS 551 3.303 -7.663 7.569 590 H LYS 552 HN LYS 552 8.112 -3.292 8.392 591 HA LYS 552 HA LYS 552 5.596 -2.309 9.058 592 HB2 LYS 552 HB2 LYS 552 7.340 -2.196 10.669 593 HB3 LYS 552 HB1 LYS 552 8.376 -1.282 9.588 594 HG2 LYS 552 HG2 LYS 552 6.710 0.588 9.739 595 HG3 LYS 552 HG1 LYS 552 5.915 -0.328 11.015 596 HD2 LYS 552 HD2 LYS 552 7.445 1.360 11.925 597 HD3 LYS 552 HD1 LYS 552 7.947 -0.275 12.352 598 HE2 LYS 552 HE2 LYS 552 9.838 1.161 11.682 599 HE3 LYS 552 HE1 LYS 552 9.654 -0.243 10.638 600 HZ1 LYS 552 HZ1 LYS 552 10.102 1.768 9.374 601 HZ2 LYS 552 HZ2 LYS 552 8.725 2.509 10.009 602 HZ3 LYS 552 HZ3 LYS 552 8.569 1.166 9.000 603 H THR 553 HN THR 553 8.088 -0.938 6.977 604 HA THR 553 HA THR 553 6.830 1.540 6.501 605 HB THR 553 HB THR 553 8.762 0.056 4.711 606 HG1 THR 553 HG1 THR 553 10.253 1.580 5.898 607 HG21 THR 553 HG21 THR 553 9.392 2.323 3.962 608 HG22 THR 553 HG22 THR 553 8.085 2.989 4.942 609 HG23 THR 553 HG23 THR 553 7.717 1.929 3.580 610 H MET 554 HN MET 554 6.764 -1.539 4.743 611 HA MET 554 HA MET 554 5.253 -0.556 2.549 612 HB2 MET 554 HB2 MET 554 5.618 -3.388 3.526 613 HB3 MET 554 HB1 MET 554 4.971 -2.927 1.959 614 HG2 MET 554 HG2 MET 554 7.750 -2.443 2.984 615 HG3 MET 554 HG1 MET 554 7.258 -3.564 1.718 616 HE1 MET 554 HE1 MET 554 9.568 -1.246 1.559 617 HE2 MET 554 HE2 MET 554 9.328 -0.779 -0.125 618 HE3 MET 554 HE3 MET 554 9.260 -2.481 0.338 619 H ALA 555 HN ALA 555 4.402 -2.407 5.448 620 HA ALA 555 HA ALA 555 1.673 -2.766 4.928 621 HB1 ALA 555 HB1 ALA 555 2.992 -2.365 7.615 622 HB2 ALA 555 HB2 ALA 555 2.929 -3.895 6.737 623 HB3 ALA 555 HB3 ALA 555 1.440 -3.144 7.313 624 H LYS 556 HN LYS 556 3.449 -0.092 6.317 625 HA LYS 556 HA LYS 556 1.246 1.433 7.197 626 HB2 LYS 556 HB2 LYS 556 3.495 1.852 8.006 627 HB3 LYS 556 HB1 LYS 556 4.037 2.240 6.377 628 HG2 LYS 556 HG2 LYS 556 3.747 4.272 7.600 629 HG3 LYS 556 HG1 LYS 556 2.493 4.158 6.365 630 HD2 LYS 556 HD2 LYS 556 0.900 3.388 8.048 631 HD3 LYS 556 HD1 LYS 556 2.151 3.512 9.290 632 HE2 LYS 556 HE2 LYS 556 2.349 5.918 8.821 633 HE3 LYS 556 HE1 LYS 556 1.069 5.779 7.620 634 HZ1 LYS 556 HZ1 LYS 556 0.185 6.606 9.679 635 HZ2 LYS 556 HZ2 LYS 556 0.800 5.286 10.534 636 HZ3 LYS 556 HZ3 LYS 556 -0.430 5.056 9.400 637 H ALA 557 HN ALA 557 3.066 1.367 4.176 638 HA ALA 557 HA ALA 557 1.745 3.504 2.918 639 HB1 ALA 557 HB1 ALA 557 2.892 1.054 1.580 640 HB2 ALA 557 HB2 ALA 557 3.862 2.418 2.135 641 HB3 ALA 557 HB3 ALA 557 2.660 2.650 0.862 642 H ILE 558 HN ILE 558 1.125 0.029 2.913 643 HA ILE 558 HA ILE 558 -1.119 0.022 1.246 644 HB ILE 558 HB ILE 558 -0.367 -1.817 3.523 645 HG12 ILE 558 HG12 ILE 558 0.114 -2.071 0.560 646 HG13 ILE 558 HG11 ILE 558 1.315 -1.541 1.705 647 HG21 ILE 558 HG21 ILE 558 -1.756 -3.486 2.330 648 HG22 ILE 558 HG22 ILE 558 -2.329 -2.196 1.272 649 HG23 ILE 558 HG23 ILE 558 -2.685 -2.144 2.998 650 HD11 ILE 558 HD11 ILE 558 -0.004 -4.240 1.657 651 HD12 ILE 558 HD12 ILE 558 1.191 -3.704 2.836 652 HD13 ILE 558 HD13 ILE 558 1.641 -3.868 1.139 653 H LYS 559 HN LYS 559 -0.821 0.204 4.773 654 HA LYS 559 HA LYS 559 -3.587 0.196 5.317 655 HB2 LYS 559 HB2 LYS 559 -1.462 -0.174 6.827 656 HB3 LYS 559 HB1 LYS 559 -1.625 1.550 7.129 657 HG2 LYS 559 HG2 LYS 559 -3.734 -0.538 7.631 658 HG3 LYS 559 HG1 LYS 559 -2.689 0.189 8.841 659 HD2 LYS 559 HD2 LYS 559 -3.811 2.187 8.806 660 HD3 LYS 559 HD1 LYS 559 -4.384 1.954 7.151 661 HE2 LYS 559 HE2 LYS 559 -5.965 0.298 7.874 662 HE3 LYS 559 HE1 LYS 559 -5.316 0.331 9.511 663 HZ1 LYS 559 HZ1 LYS 559 -6.155 2.500 9.849 664 HZ2 LYS 559 HZ2 LYS 559 -7.420 1.610 9.165 665 HZ3 LYS 559 HZ3 LYS 559 -6.543 2.700 8.213 666 H ASP 560 HN ASP 560 -1.223 2.811 4.965 667 HA ASP 560 HA ASP 560 -2.795 4.985 5.642 668 HB2 ASP 560 HB2 ASP 560 -0.394 5.146 5.169 669 HB3 ASP 560 HB1 ASP 560 -0.719 4.858 3.464 670 H ARG 561 HN ARG 561 -2.400 3.534 2.423 671 HA ARG 561 HA ARG 561 -4.185 5.265 1.114 672 HB2 ARG 561 HB2 ARG 561 -2.529 3.888 -0.062 673 HB3 ARG 561 HB1 ARG 561 -3.408 2.443 0.397 674 HG2 ARG 561 HG2 ARG 561 -3.800 3.246 -1.949 675 HG3 ARG 561 HG1 ARG 561 -5.248 3.006 -0.967 676 HD2 ARG 561 HD2 ARG 561 -5.388 5.368 -0.514 677 HD3 ARG 561 HD1 ARG 561 -3.874 5.655 -1.370 678 HE ARG 561 HE ARG 561 -6.382 4.787 -2.657 679 HH11 ARG 561 HH11 ARG 561 -3.283 6.381 -2.758 680 HH12 ARG 561 HH12 ARG 561 -3.603 7.216 -4.243 681 HH21 ARG 561 HH21 ARG 561 -6.828 5.903 -4.629 682 HH22 ARG 561 HH22 ARG 561 -5.611 6.931 -5.314 683 H VAL 562 HN VAL 562 -4.613 2.018 2.441 684 HA VAL 562 HA VAL 562 -7.278 1.637 1.767 685 HB VAL 562 HB VAL 562 -5.707 0.614 4.136 686 HG11 VAL 562 HG11 VAL 562 -8.077 0.494 4.655 687 HG12 VAL 562 HG12 VAL 562 -7.423 -1.117 4.351 688 HG13 VAL 562 HG13 VAL 562 -8.388 -0.304 3.114 689 HG21 VAL 562 HG21 VAL 562 -5.545 -1.423 2.801 690 HG22 VAL 562 HG22 VAL 562 -4.860 -0.040 1.945 691 HG23 VAL 562 HG23 VAL 562 -6.456 -0.650 1.504 692 H SER 563 HN SER 563 -5.878 3.475 4.426 693 HA SER 563 HA SER 563 -8.185 3.794 5.953 694 HB2 SER 563 HB2 SER 563 -5.746 5.545 5.649 695 HB3 SER 563 HB1 SER 563 -6.927 5.658 6.933 696 HG SER 563 HG SER 563 -5.118 3.569 6.392 697 H LEU 564 HN LEU 564 -6.829 5.804 3.316 698 HA LEU 564 HA LEU 564 -8.921 7.745 3.549 699 HB2 LEU 564 HB2 LEU 564 -8.007 8.756 1.561 700 HB3 LEU 564 HB1 LEU 564 -6.727 8.353 2.678 701 HG LEU 564 HG LEU 564 -6.609 6.186 1.161 702 HD11 LEU 564 HD11 LEU 564 -6.938 6.774 -1.194 703 HD12 LEU 564 HD12 LEU 564 -7.624 8.325 -0.708 704 HD13 LEU 564 HD13 LEU 564 -8.454 6.825 -0.294 705 HD21 LEU 564 HD21 LEU 564 -4.820 7.332 -0.103 706 HD22 LEU 564 HD22 LEU 564 -4.754 7.657 1.628 707 HD23 LEU 564 HD23 LEU 564 -5.401 8.873 0.527 708 H ILE 565 HN ILE 565 -8.319 4.924 1.647 709 HA ILE 565 HA ILE 565 -10.493 5.013 -0.104 710 HB ILE 565 HB ILE 565 -8.966 2.756 1.131 711 HG12 ILE 565 HG12 ILE 565 -9.074 3.831 -1.679 712 HG13 ILE 565 HG11 ILE 565 -7.881 4.288 -0.477 713 HG21 ILE 565 HG21 ILE 565 -11.185 1.883 0.675 714 HG22 ILE 565 HG22 ILE 565 -10.020 1.242 -0.485 715 HG23 ILE 565 HG23 ILE 565 -11.121 2.533 -0.966 716 HD11 ILE 565 HD11 ILE 565 -8.293 1.532 -1.569 717 HD12 ILE 565 HD12 ILE 565 -7.083 2.007 -0.379 718 HD13 ILE 565 HD13 ILE 565 -7.006 2.647 -2.021 719 H LYS 566 HN LYS 566 -10.229 3.583 3.127 720 HA LYS 566 HA LYS 566 -12.972 2.829 3.285 721 HB2 LYS 566 HB2 LYS 566 -10.858 3.189 5.399 722 HB3 LYS 566 HB1 LYS 566 -12.495 2.661 5.764 723 HG2 LYS 566 HG2 LYS 566 -12.163 0.748 4.217 724 HG3 LYS 566 HG1 LYS 566 -10.486 1.259 4.029 725 HD2 LYS 566 HD2 LYS 566 -10.045 0.909 6.356 726 HD3 LYS 566 HD1 LYS 566 -11.753 0.621 6.685 727 HE2 LYS 566 HE2 LYS 566 -11.653 -1.378 5.240 728 HE3 LYS 566 HE1 LYS 566 -9.923 -1.107 5.030 729 HZ1 LYS 566 HZ1 LYS 566 -9.587 -1.427 7.369 730 HZ2 LYS 566 HZ2 LYS 566 -10.447 -2.753 6.760 731 HZ3 LYS 566 HZ3 LYS 566 -11.253 -1.557 7.644 732 H ARG 567 HN ARG 567 -11.238 5.767 3.963 733 HA ARG 567 HA ARG 567 -13.005 7.112 5.615 734 HB2 ARG 567 HB2 ARG 567 -10.791 7.962 4.996 735 HB3 ARG 567 HB1 ARG 567 -11.333 8.200 3.341 736 HG2 ARG 567 HG2 ARG 567 -11.292 10.301 4.484 737 HG3 ARG 567 HG1 ARG 567 -12.962 9.853 4.142 738 HD2 ARG 567 HD2 ARG 567 -13.280 9.126 6.419 739 HD3 ARG 567 HD1 ARG 567 -11.579 9.410 6.782 740 HE ARG 567 HE ARG 567 -12.861 11.769 5.834 741 HH11 ARG 567 HH11 ARG 567 -12.503 9.735 8.655 742 HH12 ARG 567 HH12 ARG 567 -12.780 11.020 9.782 743 HH21 ARG 567 HH21 ARG 567 -13.228 13.476 7.316 744 HH22 ARG 567 HH22 ARG 567 -13.200 13.150 9.019 745 H LYS 568 HN LYS 568 -13.131 6.506 2.168 746 HA LYS 568 HA LYS 568 -15.370 8.079 1.522 747 HB2 LYS 568 HB2 LYS 568 -14.650 5.384 0.350 748 HB3 LYS 568 HB1 LYS 568 -15.608 6.644 -0.415 749 HG2 LYS 568 HG2 LYS 568 -13.690 8.057 -0.634 750 HG3 LYS 568 HG1 LYS 568 -12.705 6.946 0.320 751 HD2 LYS 568 HD2 LYS 568 -13.115 5.208 -1.431 752 HD3 LYS 568 HD1 LYS 568 -13.899 6.454 -2.405 753 HE2 LYS 568 HE2 LYS 568 -11.843 7.746 -2.438 754 HE3 LYS 568 HE1 LYS 568 -11.054 6.556 -1.409 755 HZ1 LYS 568 HZ1 LYS 568 -11.407 4.902 -3.180 756 HZ2 LYS 568 HZ2 LYS 568 -10.438 6.198 -3.684 757 HZ3 LYS 568 HZ3 LYS 568 -12.053 6.116 -4.171 758 H ARG 569 HN ARG 569 -15.168 4.606 2.215 759 HA ARG 569 HA ARG 569 -17.834 3.960 2.340 760 HB2 ARG 569 HB2 ARG 569 -15.387 2.870 3.661 761 HB3 ARG 569 HB1 ARG 569 -16.958 2.196 4.042 762 HG2 ARG 569 HG2 ARG 569 -15.977 0.863 2.367 763 HG3 ARG 569 HG1 ARG 569 -17.290 1.755 1.619 764 HD2 ARG 569 HD2 ARG 569 -15.714 3.302 0.644 765 HD3 ARG 569 HD1 ARG 569 -14.378 2.519 1.484 766 HE ARG 569 HE ARG 569 -15.724 0.608 -0.073 767 HH11 ARG 569 HH11 ARG 569 -13.695 3.428 -0.495 768 HH12 ARG 569 HH12 ARG 569 -12.990 2.858 -1.980 769 HH21 ARG 569 HH21 ARG 569 -14.781 -0.158 -2.003 770 HH22 ARG 569 HH22 ARG 569 -13.605 0.829 -2.835 771 H GLU 570 HN GLU 570 -15.771 5.259 4.884 772 HA GLU 570 HA GLU 570 -17.370 4.844 7.105 773 HB2 GLU 570 HB2 GLU 570 -15.426 7.061 6.489 774 HB3 GLU 570 HB1 GLU 570 -16.163 6.833 8.069 775 HG2 GLU 570 HG2 GLU 570 -14.487 4.774 6.657 776 HG3 GLU 570 HG1 GLU 570 -13.890 5.894 7.878 777 H GLN 571 HN GLN 571 -17.727 7.266 4.605 778 HA GLN 571 HA GLN 571 -19.913 8.448 6.186 779 HB2 GLN 571 HB2 GLN 571 -17.947 9.869 4.394 780 HB3 GLN 571 HB1 GLN 571 -19.388 10.618 5.069 781 HG2 GLN 571 HG2 GLN 571 -18.548 10.187 7.326 782 HG3 GLN 571 HG1 GLN 571 -17.097 9.461 6.638 783 HE21 GLN 571 HE21 GLN 571 -15.775 10.958 7.647 784 HE22 GLN 571 HE22 GLN 571 -15.664 12.598 7.107 785 H ARG 572 HN ARG 572 -19.987 6.326 4.145 786 HA ARG 572 HA ARG 572 -21.866 7.687 2.334 787 HB2 ARG 572 HB2 ARG 572 -20.017 5.394 1.666 788 HB3 ARG 572 HB1 ARG 572 -21.320 5.948 0.625 789 HG2 ARG 572 HG2 ARG 572 -20.250 8.142 0.463 790 HG3 ARG 572 HG1 ARG 572 -18.936 7.568 1.490 791 HD2 ARG 572 HD2 ARG 572 -18.478 5.800 -0.186 792 HD3 ARG 572 HD1 ARG 572 -19.701 6.525 -1.229 793 HE ARG 572 HE ARG 572 -17.653 8.362 -0.383 794 HH11 ARG 572 HH11 ARG 572 -18.581 5.977 -2.762 795 HH12 ARG 572 HH12 ARG 572 -17.504 6.583 -3.980 796 HH21 ARG 572 HH21 ARG 572 -16.209 9.145 -1.959 797 HH22 ARG 572 HH22 ARG 572 -16.119 8.371 -3.519 Start of MODEL 10 1 H1 GLY 475 HT1 GLY 475 14.134 16.532 10.812 2 H2 GLY 475 HT2 GLY 475 14.975 15.076 10.954 3 H3 GLY 475 HT3 GLY 475 13.286 15.090 11.048 4 HA2 GLY 475 HA1 GLY 475 14.903 15.765 8.657 5 HA3 GLY 475 HA2 GLY 475 14.001 14.277 8.900 6 H ALA 476 HN ALA 476 12.758 14.650 7.052 7 HA ALA 476 HA ALA 476 10.943 15.318 5.892 8 HB1 ALA 476 HB1 ALA 476 9.762 14.819 7.978 9 HB2 ALA 476 HB2 ALA 476 9.011 16.156 7.106 10 HB3 ALA 476 HB3 ALA 476 10.019 16.479 8.517 11 H MET 477 HN MET 477 12.911 16.807 5.200 12 HA MET 477 HA MET 477 12.551 19.609 5.650 13 HB2 MET 477 HB2 MET 477 14.188 18.040 3.662 14 HB3 MET 477 HB1 MET 477 14.112 19.793 3.626 15 HG2 MET 477 HG2 MET 477 16.094 19.098 4.779 16 HG3 MET 477 HG1 MET 477 14.992 19.859 5.920 17 HE1 MET 477 HE1 MET 477 16.411 18.880 7.929 18 HE2 MET 477 HE2 MET 477 17.512 18.100 6.793 19 HE3 MET 477 HE3 MET 477 16.802 17.170 8.113 20 H ASP 478 HN ASP 478 11.429 17.278 3.319 21 HA ASP 478 HA ASP 478 9.870 19.386 1.991 22 HB2 ASP 478 HB2 ASP 478 9.429 17.694 0.224 23 HB3 ASP 478 HB1 ASP 478 11.137 18.063 0.411 24 HA PRO 479 HA PRO 479 6.183 18.840 4.115 25 HB2 PRO 479 HB2 PRO 479 5.111 18.285 1.374 26 HB3 PRO 479 HB1 PRO 479 4.409 19.283 2.658 27 HG2 PRO 479 HG2 PRO 479 5.741 20.433 0.697 28 HG3 PRO 479 HG1 PRO 479 6.003 20.969 2.370 29 HD2 PRO 479 HD2 PRO 479 7.757 19.338 0.611 30 HD3 PRO 479 HD1 PRO 479 8.194 20.466 1.904 31 H GLN 480 HN GLN 480 6.161 16.477 1.465 32 HA GLN 480 HA GLN 480 4.629 14.694 3.192 33 HB2 GLN 480 HB2 GLN 480 5.178 14.600 0.231 34 HB3 GLN 480 HB1 GLN 480 4.228 13.404 1.102 35 HG2 GLN 480 HG2 GLN 480 3.592 16.332 1.064 36 HG3 GLN 480 HG1 GLN 480 2.914 15.171 -0.078 37 HE21 GLN 480 HE21 GLN 480 2.931 16.289 3.212 38 HE22 GLN 480 HE22 GLN 480 1.541 15.406 3.732 39 H GLU 481 HN GLU 481 7.639 15.103 3.310 40 HA GLU 481 HA GLU 481 8.617 12.443 2.741 41 HB2 GLU 481 HB2 GLU 481 9.979 14.682 2.841 42 HB3 GLU 481 HB1 GLU 481 10.041 14.346 4.564 43 HG2 GLU 481 HG2 GLU 481 10.855 12.263 2.587 44 HG3 GLU 481 HG1 GLU 481 11.968 13.549 3.040 45 H GLU 482 HN GLU 482 6.963 11.368 3.851 46 HA GLU 482 HA GLU 482 7.287 11.288 6.774 47 HB2 GLU 482 HB2 GLU 482 5.066 12.028 6.151 48 HB3 GLU 482 HB1 GLU 482 4.891 10.684 5.035 49 HG2 GLU 482 HG2 GLU 482 5.069 9.153 7.015 50 HG3 GLU 482 HG1 GLU 482 4.953 10.589 8.032 51 H THR 483 HN THR 483 6.175 9.252 4.095 52 HA THR 483 HA THR 483 7.881 7.082 5.084 53 HB THR 483 HB THR 483 5.126 6.595 3.941 54 HG1 THR 483 HG1 THR 483 5.879 6.839 6.692 55 HG21 THR 483 HG21 THR 483 6.938 4.920 5.678 56 HG22 THR 483 HG22 THR 483 6.724 4.728 3.940 57 HG23 THR 483 HG23 THR 483 5.372 4.430 5.031 58 H GLY 484 HN GLY 484 9.012 6.048 3.478 59 HA2 GLY 484 HA2 GLY 484 9.082 7.393 0.929 60 HA3 GLY 484 HA1 GLY 484 10.152 6.103 1.465 61 H VAL 485 HN VAL 485 6.642 6.040 1.257 62 HA VAL 485 HA VAL 485 6.648 4.488 -1.187 63 HB VAL 485 HB VAL 485 5.018 2.854 0.114 64 HG11 VAL 485 HG11 VAL 485 6.974 2.136 -1.159 65 HG12 VAL 485 HG12 VAL 485 6.813 1.247 0.358 66 HG13 VAL 485 HG13 VAL 485 8.010 2.538 0.212 67 HG21 VAL 485 HG21 VAL 485 6.970 3.724 2.218 68 HG22 VAL 485 HG22 VAL 485 5.907 2.322 2.339 69 HG23 VAL 485 HG23 VAL 485 5.222 3.948 2.238 70 H ARG 486 HN ARG 486 4.481 4.196 -2.000 71 HA ARG 486 HA ARG 486 2.280 5.383 -0.601 72 HB2 ARG 486 HB2 ARG 486 3.265 7.402 -1.458 73 HB3 ARG 486 HB1 ARG 486 3.377 6.725 -3.074 74 HG2 ARG 486 HG2 ARG 486 1.539 8.367 -2.757 75 HG3 ARG 486 HG1 ARG 486 1.006 6.788 -3.336 76 HD2 ARG 486 HD2 ARG 486 -0.448 7.745 -1.569 77 HD3 ARG 486 HD1 ARG 486 0.240 6.176 -1.146 78 HE ARG 486 HE ARG 486 1.948 8.114 -0.123 79 HH11 ARG 486 HH11 ARG 486 -1.412 7.231 0.272 80 HH12 ARG 486 HH12 ARG 486 -1.445 7.593 1.976 81 HH21 ARG 486 HH21 ARG 486 1.907 8.607 2.113 82 HH22 ARG 486 HH22 ARG 486 0.442 8.378 3.016 83 H VAL 487 HN VAL 487 0.450 4.474 -1.188 84 HA VAL 487 HA VAL 487 0.555 2.570 -3.413 85 HB VAL 487 HB VAL 487 -1.317 2.618 -1.044 86 HG11 VAL 487 HG11 VAL 487 -1.912 0.357 -1.735 87 HG12 VAL 487 HG12 VAL 487 -0.842 0.497 -3.131 88 HG13 VAL 487 HG13 VAL 487 -2.271 1.524 -3.008 89 HG21 VAL 487 HG21 VAL 487 1.115 0.939 -1.590 90 HG22 VAL 487 HG22 VAL 487 0.013 0.734 -0.228 91 HG23 VAL 487 HG23 VAL 487 0.973 2.210 -0.375 92 H GLU 488 HN GLU 488 -0.891 2.612 -5.012 93 HA GLU 488 HA GLU 488 -3.001 4.674 -4.942 94 HB2 GLU 488 HB2 GLU 488 -1.111 4.083 -7.233 95 HB3 GLU 488 HB1 GLU 488 -2.496 5.162 -7.326 96 HG2 GLU 488 HG2 GLU 488 -1.495 6.616 -5.653 97 HG3 GLU 488 HG1 GLU 488 -0.116 5.527 -5.520 98 H LEU 489 HN LEU 489 -4.733 4.309 -6.463 99 HA LEU 489 HA LEU 489 -5.556 1.560 -6.467 100 HB2 LEU 489 HB2 LEU 489 -6.871 3.993 -7.664 101 HB3 LEU 489 HB1 LEU 489 -7.619 2.421 -7.475 102 HG LEU 489 HG LEU 489 -6.682 4.134 -5.173 103 HD11 LEU 489 HD11 LEU 489 -9.443 3.738 -6.338 104 HD12 LEU 489 HD12 LEU 489 -8.488 5.222 -6.400 105 HD13 LEU 489 HD13 LEU 489 -9.072 4.613 -4.851 106 HD21 LEU 489 HD21 LEU 489 -7.977 2.629 -3.800 107 HD22 LEU 489 HD22 LEU 489 -6.810 1.695 -4.740 108 HD23 LEU 489 HD23 LEU 489 -8.503 1.726 -5.223 109 H ALA 490 HN ALA 490 -5.612 0.167 -8.138 110 HA ALA 490 HA ALA 490 -4.325 0.870 -10.627 111 HB1 ALA 490 HB1 ALA 490 -4.693 -1.465 -11.230 112 HB2 ALA 490 HB2 ALA 490 -5.714 -1.683 -9.811 113 HB3 ALA 490 HB3 ALA 490 -3.995 -1.342 -9.617 114 H GLU 491 HN GLU 491 -7.462 0.900 -9.369 115 HA GLU 491 HA GLU 491 -8.595 1.475 -11.993 116 HB2 GLU 491 HB2 GLU 491 -10.579 0.059 -11.454 117 HB3 GLU 491 HB1 GLU 491 -9.103 -0.865 -11.696 118 HG2 GLU 491 HG2 GLU 491 -8.835 -0.904 -9.208 119 HG3 GLU 491 HG1 GLU 491 -10.449 -0.207 -9.091 120 H GLU 492 HN GLU 492 -10.878 2.344 -11.694 121 HA GLU 492 HA GLU 492 -10.730 4.493 -9.807 122 HB2 GLU 492 HB2 GLU 492 -12.898 3.670 -11.748 123 HB3 GLU 492 HB1 GLU 492 -12.916 5.154 -10.804 124 HG2 GLU 492 HG2 GLU 492 -10.971 5.971 -11.921 125 HG3 GLU 492 HG1 GLU 492 -10.739 4.430 -12.744 126 H ASP 493 HN ASP 493 -11.291 4.309 -7.755 127 HA ASP 493 HA ASP 493 -13.254 2.263 -7.016 128 HB2 ASP 493 HB2 ASP 493 -11.127 1.889 -5.949 129 HB3 ASP 493 HB1 ASP 493 -11.090 3.549 -5.361 130 H ASP 494 HN ASP 494 -15.129 3.414 -7.304 131 HA ASP 494 HA ASP 494 -15.695 5.226 -5.073 132 HB2 ASP 494 HB2 ASP 494 -15.315 6.639 -7.065 133 HB3 ASP 494 HB1 ASP 494 -16.558 5.744 -7.931 134 H GLY 495 HN GLY 495 -16.323 2.402 -6.511 135 HA2 GLY 495 HA2 GLY 495 -19.230 2.501 -6.386 136 HA3 GLY 495 HA1 GLY 495 -18.263 1.174 -6.997 137 H GLU 496 HN GLU 496 -17.295 2.488 -4.002 138 HA GLU 496 HA GLU 496 -17.224 1.656 -1.890 139 HB2 GLU 496 HB2 GLU 496 -20.024 0.720 -2.560 140 HB3 GLU 496 HB1 GLU 496 -19.352 0.886 -0.943 141 HG2 GLU 496 HG2 GLU 496 -19.111 3.290 -1.281 142 HG3 GLU 496 HG1 GLU 496 -19.772 3.128 -2.907 143 H LYS 497 HN LYS 497 -15.927 0.164 -3.650 144 HA LYS 497 HA LYS 497 -16.719 -2.548 -3.851 145 HB2 LYS 497 HB2 LYS 497 -13.948 -1.405 -4.191 146 HB3 LYS 497 HB1 LYS 497 -14.647 -2.803 -4.985 147 HG2 LYS 497 HG2 LYS 497 -16.109 -1.431 -6.281 148 HG3 LYS 497 HG1 LYS 497 -15.626 0.012 -5.396 149 HD2 LYS 497 HD2 LYS 497 -14.413 0.139 -7.385 150 HD3 LYS 497 HD1 LYS 497 -13.254 -0.521 -6.231 151 HE2 LYS 497 HE2 LYS 497 -13.085 -1.753 -8.283 152 HE3 LYS 497 HE1 LYS 497 -13.809 -2.792 -7.056 153 HZ1 LYS 497 HZ1 LYS 497 -15.320 -1.300 -9.132 154 HZ2 LYS 497 HZ2 LYS 497 -15.977 -2.365 -7.995 155 HZ3 LYS 497 HZ3 LYS 497 -14.947 -2.945 -9.199 156 H ILE 498 HN ILE 498 -16.135 -4.282 -2.633 157 HA ILE 498 HA ILE 498 -15.039 -3.789 -0.010 158 HB ILE 498 HB ILE 498 -16.047 -6.283 -1.353 159 HG12 ILE 498 HG12 ILE 498 -17.685 -4.528 -0.678 160 HG13 ILE 498 HG11 ILE 498 -17.901 -6.063 0.137 161 HG21 ILE 498 HG21 ILE 498 -15.859 -7.379 0.842 162 HG22 ILE 498 HG22 ILE 498 -15.014 -5.960 1.461 163 HG23 ILE 498 HG23 ILE 498 -14.286 -6.931 0.181 164 HD11 ILE 498 HD11 ILE 498 -16.641 -3.594 1.272 165 HD12 ILE 498 HD12 ILE 498 -16.703 -5.155 2.093 166 HD13 ILE 498 HD13 ILE 498 -18.198 -4.293 1.715 167 H ALA 499 HN ALA 499 -14.104 -5.143 -3.044 168 HA ALA 499 HA ALA 499 -11.407 -5.593 -1.966 169 HB1 ALA 499 HB1 ALA 499 -12.492 -7.715 -2.321 170 HB2 ALA 499 HB2 ALA 499 -11.191 -7.491 -3.496 171 HB3 ALA 499 HB3 ALA 499 -12.876 -7.265 -3.982 172 H ILE 500 HN ILE 500 -9.921 -4.439 -2.914 173 HA ILE 500 HA ILE 500 -10.528 -3.218 -5.525 174 HB ILE 500 HB ILE 500 -9.367 -1.250 -4.821 175 HG12 ILE 500 HG12 ILE 500 -8.695 -2.812 -2.320 176 HG13 ILE 500 HG11 ILE 500 -7.567 -2.196 -3.519 177 HG21 ILE 500 HG21 ILE 500 -10.758 -0.542 -2.924 178 HG22 ILE 500 HG22 ILE 500 -11.212 -2.227 -2.662 179 HG23 ILE 500 HG23 ILE 500 -11.683 -1.406 -4.152 180 HD11 ILE 500 HD11 ILE 500 -9.272 -0.529 -1.696 181 HD12 ILE 500 HD12 ILE 500 -8.119 0.076 -2.885 182 HD13 ILE 500 HD13 ILE 500 -7.550 -0.857 -1.500 183 H LYS 501 HN LYS 501 -8.244 -2.153 -6.243 184 HA LYS 501 HA LYS 501 -6.142 -4.152 -5.927 185 HB2 LYS 501 HB2 LYS 501 -7.405 -4.672 -7.998 186 HB3 LYS 501 HB1 LYS 501 -7.019 -3.068 -8.603 187 HG2 LYS 501 HG2 LYS 501 -4.798 -3.585 -8.948 188 HG3 LYS 501 HG1 LYS 501 -4.820 -4.911 -7.781 189 HD2 LYS 501 HD2 LYS 501 -4.703 -5.671 -10.141 190 HD3 LYS 501 HD1 LYS 501 -6.113 -6.278 -9.274 191 HE2 LYS 501 HE2 LYS 501 -7.465 -4.473 -10.287 192 HE3 LYS 501 HE1 LYS 501 -6.049 -3.964 -11.206 193 HZ1 LYS 501 HZ1 LYS 501 -6.020 -6.071 -12.324 194 HZ2 LYS 501 HZ2 LYS 501 -7.560 -5.398 -12.479 195 HZ3 LYS 501 HZ3 LYS 501 -7.294 -6.651 -11.377 196 H LEU 502 HN LEU 502 -4.288 -3.261 -5.450 197 HA LEU 502 HA LEU 502 -3.969 -0.357 -5.868 198 HB2 LEU 502 HB2 LEU 502 -3.065 -2.083 -3.564 199 HB3 LEU 502 HB1 LEU 502 -2.734 -0.371 -3.735 200 HG LEU 502 HG LEU 502 -5.549 -1.417 -3.605 201 HD11 LEU 502 HD11 LEU 502 -3.782 -0.591 -1.306 202 HD12 LEU 502 HD12 LEU 502 -4.385 -2.217 -1.624 203 HD13 LEU 502 HD13 LEU 502 -5.511 -0.925 -1.208 204 HD21 LEU 502 HD21 LEU 502 -4.375 1.251 -2.840 205 HD22 LEU 502 HD22 LEU 502 -6.081 0.822 -2.966 206 HD23 LEU 502 HD23 LEU 502 -5.080 0.897 -4.416 207 H TRP 503 HN TRP 503 -1.781 0.391 -6.128 208 HA TRP 503 HA TRP 503 0.226 -1.717 -6.582 209 HB2 TRP 503 HB2 TRP 503 -0.100 0.931 -7.986 210 HB3 TRP 503 HB1 TRP 503 1.387 0.000 -8.046 211 HD1 TRP 503 HD1 TRP 503 -2.343 -0.660 -8.826 212 HE1 TRP 503 HE1 TRP 503 -2.480 -2.008 -11.013 213 HE3 TRP 503 HE3 TRP 503 2.635 -1.323 -9.667 214 HZ2 TRP 503 HZ2 TRP 503 -0.703 -3.206 -12.839 215 HZ3 TRP 503 HZ3 TRP 503 3.336 -2.602 -11.641 216 HH2 TRP 503 HH2 TRP 503 1.706 -3.524 -13.193 217 H LEU 504 HN LEU 504 1.743 -1.730 -5.091 218 HA LEU 504 HA LEU 504 2.168 0.500 -3.326 219 HB2 LEU 504 HB2 LEU 504 2.355 -1.755 -2.487 220 HB3 LEU 504 HB1 LEU 504 3.602 -2.129 -3.649 221 HG LEU 504 HG LEU 504 5.076 -0.460 -2.523 222 HD11 LEU 504 HD11 LEU 504 3.371 0.918 -1.490 223 HD12 LEU 504 HD12 LEU 504 4.470 0.275 -0.269 224 HD13 LEU 504 HD13 LEU 504 2.867 -0.434 -0.476 225 HD21 LEU 504 HD21 LEU 504 5.270 -2.835 -2.051 226 HD22 LEU 504 HD22 LEU 504 4.024 -2.706 -0.811 227 HD23 LEU 504 HD23 LEU 504 5.571 -1.887 -0.596 228 H ARG 505 HN ARG 505 2.962 2.201 -4.435 229 HA ARG 505 HA ARG 505 5.277 1.842 -6.162 230 HB2 ARG 505 HB2 ARG 505 3.502 4.196 -5.584 231 HB3 ARG 505 HB1 ARG 505 4.980 4.340 -6.525 232 HG2 ARG 505 HG2 ARG 505 4.029 2.515 -8.000 233 HG3 ARG 505 HG1 ARG 505 2.501 2.781 -7.169 234 HD2 ARG 505 HD2 ARG 505 2.339 4.983 -7.968 235 HD3 ARG 505 HD1 ARG 505 4.030 5.003 -8.471 236 HE ARG 505 HE ARG 505 3.277 3.201 -10.113 237 HH11 ARG 505 HH11 ARG 505 1.165 5.778 -9.019 238 HH12 ARG 505 HH12 ARG 505 0.247 5.798 -10.497 239 HH21 ARG 505 HH21 ARG 505 2.081 3.248 -12.037 240 HH22 ARG 505 HH22 ARG 505 0.769 4.371 -12.209 241 H ILE 506 HN ILE 506 7.270 2.083 -5.473 242 HA ILE 506 HA ILE 506 7.786 2.945 -2.778 243 HB ILE 506 HB ILE 506 9.869 2.391 -4.872 244 HG12 ILE 506 HG12 ILE 506 8.339 0.480 -4.867 245 HG13 ILE 506 HG11 ILE 506 9.874 0.042 -4.129 246 HG21 ILE 506 HG21 ILE 506 9.826 2.321 -1.880 247 HG22 ILE 506 HG22 ILE 506 10.799 3.350 -2.933 248 HG23 ILE 506 HG23 ILE 506 11.126 1.620 -2.838 249 HD11 ILE 506 HD11 ILE 506 8.050 -0.915 -2.889 250 HD12 ILE 506 HD12 ILE 506 7.311 0.671 -2.689 251 HD13 ILE 506 HD13 ILE 506 8.852 0.313 -1.910 252 H GLU 507 HN GLU 507 8.167 4.956 -2.168 253 HA GLU 507 HA GLU 507 8.527 7.031 -4.143 254 HB2 GLU 507 HB2 GLU 507 8.136 7.061 -1.151 255 HB3 GLU 507 HB1 GLU 507 8.368 8.512 -2.112 256 HG2 GLU 507 HG2 GLU 507 6.139 6.535 -2.506 257 HG3 GLU 507 HG1 GLU 507 6.010 8.031 -1.584 258 H ASP 508 HN ASP 508 10.262 5.755 -1.314 259 HA ASP 508 HA ASP 508 12.730 6.833 -2.469 260 HB2 ASP 508 HB2 ASP 508 11.933 8.336 -0.624 261 HB3 ASP 508 HB1 ASP 508 12.097 6.975 0.484 262 H ILE 509 HN ILE 509 13.788 5.041 -3.009 263 HA ILE 509 HA ILE 509 13.420 2.575 -1.622 264 HB ILE 509 HB ILE 509 15.000 1.643 -3.219 265 HG12 ILE 509 HG12 ILE 509 15.478 3.618 -5.079 266 HG13 ILE 509 HG11 ILE 509 15.738 4.445 -3.546 267 HG21 ILE 509 HG21 ILE 509 13.759 2.162 -5.285 268 HG22 ILE 509 HG22 ILE 509 12.962 3.487 -4.436 269 HG23 ILE 509 HG23 ILE 509 12.714 1.823 -3.909 270 HD11 ILE 509 HD11 ILE 509 17.095 1.942 -4.499 271 HD12 ILE 509 HD12 ILE 509 17.289 2.643 -2.893 272 HD13 ILE 509 HD13 ILE 509 17.816 3.542 -4.317 273 H LYS 510 HN LYS 510 15.354 5.223 -0.991 274 HA LYS 510 HA LYS 510 17.654 3.801 0.010 275 HB2 LYS 510 HB2 LYS 510 16.819 6.691 0.278 276 HB3 LYS 510 HB1 LYS 510 18.368 6.040 0.778 277 HG2 LYS 510 HG2 LYS 510 17.327 6.029 -2.042 278 HG3 LYS 510 HG1 LYS 510 18.453 7.216 -1.382 279 HD2 LYS 510 HD2 LYS 510 20.044 5.397 -0.898 280 HD3 LYS 510 HD1 LYS 510 18.923 4.247 -1.630 281 HE2 LYS 510 HE2 LYS 510 20.668 4.884 -3.204 282 HE3 LYS 510 HE1 LYS 510 19.087 5.430 -3.755 283 HZ1 LYS 510 HZ1 LYS 510 21.067 7.140 -2.356 284 HZ2 LYS 510 HZ2 LYS 510 19.592 7.643 -3.010 285 HZ3 LYS 510 HZ3 LYS 510 20.829 7.111 -4.029 286 H LYS 511 HN LYS 511 14.679 5.161 1.235 287 HA LYS 511 HA LYS 511 15.236 4.999 3.992 288 HB2 LYS 511 HB2 LYS 511 12.669 4.936 2.411 289 HB3 LYS 511 HB1 LYS 511 12.734 5.032 4.147 290 HG2 LYS 511 HG2 LYS 511 13.923 7.065 2.298 291 HG3 LYS 511 HG1 LYS 511 12.334 7.199 3.048 292 HD2 LYS 511 HD2 LYS 511 13.442 7.040 5.255 293 HD3 LYS 511 HD1 LYS 511 15.003 7.092 4.442 294 HE2 LYS 511 HE2 LYS 511 14.386 9.275 3.464 295 HE3 LYS 511 HE1 LYS 511 12.868 9.224 4.355 296 HZ1 LYS 511 HZ1 LYS 511 15.590 9.301 5.537 297 HZ2 LYS 511 HZ2 LYS 511 14.154 9.176 6.419 298 HZ3 LYS 511 HZ3 LYS 511 14.470 10.568 5.516 299 H LEU 512 HN LEU 512 14.891 2.606 1.686 300 HA LEU 512 HA LEU 512 13.803 0.654 3.596 301 HB2 LEU 512 HB2 LEU 512 13.965 0.335 0.614 302 HB3 LEU 512 HB1 LEU 512 12.958 -0.547 1.748 303 HG LEU 512 HG LEU 512 12.624 2.375 1.077 304 HD11 LEU 512 HD11 LEU 512 12.123 1.043 -0.845 305 HD12 LEU 512 HD12 LEU 512 10.618 1.621 -0.129 306 HD13 LEU 512 HD13 LEU 512 11.130 -0.048 0.120 307 HD21 LEU 512 HD21 LEU 512 10.867 0.484 2.636 308 HD22 LEU 512 HD22 LEU 512 10.488 2.158 2.230 309 HD23 LEU 512 HD23 LEU 512 11.833 1.797 3.310 310 H LYS 513 HN LYS 513 14.708 -1.504 3.526 311 HA LYS 513 HA LYS 513 17.614 -1.354 3.107 312 HB2 LYS 513 HB2 LYS 513 16.699 -1.826 5.394 313 HB3 LYS 513 HB1 LYS 513 16.058 -3.338 4.771 314 HG2 LYS 513 HG2 LYS 513 18.157 -3.654 5.980 315 HG3 LYS 513 HG1 LYS 513 18.303 -4.116 4.284 316 HD2 LYS 513 HD2 LYS 513 19.415 -2.040 3.768 317 HD3 LYS 513 HD1 LYS 513 19.154 -1.450 5.410 318 HE2 LYS 513 HE2 LYS 513 20.780 -3.887 4.702 319 HE3 LYS 513 HE1 LYS 513 21.459 -2.287 4.992 320 HZ1 LYS 513 HZ1 LYS 513 19.887 -3.853 6.967 321 HZ2 LYS 513 HZ2 LYS 513 20.610 -2.347 7.235 322 HZ3 LYS 513 HZ3 LYS 513 21.571 -3.711 6.955 323 H GLY 514 HN GLY 514 14.800 -2.838 1.888 324 HA2 GLY 514 HA2 GLY 514 16.064 -5.218 0.891 325 HA3 GLY 514 HA1 GLY 514 14.463 -4.632 0.472 326 H LYS 515 HN LYS 515 14.808 -5.172 -1.690 327 HA LYS 515 HA LYS 515 16.749 -3.487 -3.136 328 HB2 LYS 515 HB2 LYS 515 15.712 -6.253 -3.781 329 HB3 LYS 515 HB1 LYS 515 16.593 -5.268 -4.931 330 HG2 LYS 515 HG2 LYS 515 18.118 -6.821 -4.007 331 HG3 LYS 515 HG1 LYS 515 18.509 -5.244 -3.330 332 HD2 LYS 515 HD2 LYS 515 18.609 -7.037 -1.648 333 HD3 LYS 515 HD1 LYS 515 17.391 -5.823 -1.256 334 HE2 LYS 515 HE2 LYS 515 16.598 -8.115 -0.850 335 HE3 LYS 515 HE1 LYS 515 15.633 -7.278 -2.060 336 HZ1 LYS 515 HZ1 LYS 515 16.812 -8.464 -3.785 337 HZ2 LYS 515 HZ2 LYS 515 16.125 -9.561 -2.698 338 HZ3 LYS 515 HZ3 LYS 515 17.783 -9.239 -2.640 339 H TYR 516 HN TYR 516 15.610 -1.814 -3.940 340 HA TYR 516 HA TYR 516 13.133 -2.406 -5.404 341 HB2 TYR 516 HB2 TYR 516 13.376 -0.018 -3.574 342 HB3 TYR 516 HB1 TYR 516 11.931 -0.613 -4.385 343 HD1 TYR 516 HD1 TYR 516 10.785 -2.636 -3.521 344 HD2 TYR 516 HD2 TYR 516 14.142 -0.938 -1.549 345 HE1 TYR 516 HE1 TYR 516 10.254 -3.942 -1.503 346 HE2 TYR 516 HE2 TYR 516 13.626 -2.233 0.466 347 HH TYR 516 HH TYR 516 11.995 -3.434 1.516 348 H LYS 517 HN LYS 517 12.679 -1.000 -7.095 349 HA LYS 517 HA LYS 517 14.933 0.686 -7.935 350 HB2 LYS 517 HB2 LYS 517 12.567 -0.314 -9.538 351 HB3 LYS 517 HB1 LYS 517 13.948 0.560 -10.177 352 HG2 LYS 517 HG2 LYS 517 15.416 -1.285 -9.602 353 HG3 LYS 517 HG1 LYS 517 14.060 -2.161 -8.892 354 HD2 LYS 517 HD2 LYS 517 14.190 -1.299 -11.779 355 HD3 LYS 517 HD1 LYS 517 14.671 -2.895 -11.201 356 HE2 LYS 517 HE2 LYS 517 12.426 -3.303 -10.381 357 HE3 LYS 517 HE1 LYS 517 11.932 -1.682 -10.858 358 HZ1 LYS 517 HZ1 LYS 517 12.840 -3.818 -12.709 359 HZ2 LYS 517 HZ2 LYS 517 12.350 -2.262 -13.159 360 HZ3 LYS 517 HZ3 LYS 517 11.236 -3.332 -12.474 361 H ASP 518 HN ASP 518 14.416 2.781 -8.961 362 HA ASP 518 HA ASP 518 12.636 4.211 -7.207 363 HB2 ASP 518 HB2 ASP 518 14.467 5.196 -9.398 364 HB3 ASP 518 HB1 ASP 518 13.530 6.252 -8.349 365 H ASN 519 HN ASN 519 11.723 2.470 -9.429 366 HA ASN 519 HA ASN 519 9.541 4.148 -10.291 367 HB2 ASN 519 HB2 ASN 519 11.255 2.650 -12.289 368 HB3 ASN 519 HB1 ASN 519 9.707 3.389 -12.659 369 HD21 ASN 519 HD21 ASN 519 13.063 3.909 -12.083 370 HD22 ASN 519 HD22 ASN 519 13.095 5.580 -12.521 371 H GLU 520 HN GLU 520 10.097 1.831 -8.535 372 HA GLU 520 HA GLU 520 8.807 -0.361 -9.958 373 HB2 GLU 520 HB2 GLU 520 10.900 -0.886 -8.850 374 HB3 GLU 520 HB1 GLU 520 10.275 -0.291 -7.321 375 HG2 GLU 520 HG2 GLU 520 8.967 -2.135 -6.980 376 HG3 GLU 520 HG1 GLU 520 8.838 -2.498 -8.702 377 H ALA 521 HN ALA 521 6.919 -1.221 -9.381 378 HA ALA 521 HA ALA 521 5.551 -0.287 -6.977 379 HB1 ALA 521 HB1 ALA 521 4.214 -0.186 -9.674 380 HB2 ALA 521 HB2 ALA 521 4.935 1.215 -8.891 381 HB3 ALA 521 HB3 ALA 521 3.577 0.384 -8.129 382 H ILE 522 HN ILE 522 4.429 -1.805 -6.031 383 HA ILE 522 HA ILE 522 4.306 -4.417 -7.359 384 HB ILE 522 HB ILE 522 4.237 -3.672 -4.438 385 HG12 ILE 522 HG12 ILE 522 6.341 -5.204 -5.967 386 HG13 ILE 522 HG11 ILE 522 6.418 -3.473 -5.688 387 HG21 ILE 522 HG21 ILE 522 4.361 -6.081 -4.003 388 HG22 ILE 522 HG22 ILE 522 4.232 -6.393 -5.734 389 HG23 ILE 522 HG23 ILE 522 2.882 -5.658 -4.868 390 HD11 ILE 522 HD11 ILE 522 7.776 -4.807 -4.113 391 HD12 ILE 522 HD12 ILE 522 6.286 -5.530 -3.505 392 HD13 ILE 522 HD13 ILE 522 6.564 -3.799 -3.323 393 H GLU 523 HN GLU 523 2.404 -4.593 -8.352 394 HA GLU 523 HA GLU 523 -0.053 -3.474 -7.424 395 HB2 GLU 523 HB2 GLU 523 0.176 -3.781 -9.744 396 HB3 GLU 523 HB1 GLU 523 0.699 -5.442 -9.576 397 HG2 GLU 523 HG2 GLU 523 -1.630 -5.942 -8.706 398 HG3 GLU 523 HG1 GLU 523 -2.061 -4.307 -9.216 399 H PHE 524 HN PHE 524 -1.454 -4.287 -6.008 400 HA PHE 524 HA PHE 524 -1.682 -7.152 -5.594 401 HB2 PHE 524 HB2 PHE 524 -1.419 -7.051 -3.176 402 HB3 PHE 524 HB1 PHE 524 0.045 -6.454 -3.947 403 HD1 PHE 524 HD2 PHE 524 0.466 -3.972 -3.995 404 HD2 PHE 524 HD1 PHE 524 -2.654 -5.731 -1.697 405 HE1 PHE 524 HE2 PHE 524 0.330 -1.934 -2.626 406 HE2 PHE 524 HE1 PHE 524 -2.786 -3.697 -0.319 407 HZ PHE 524 HZ PHE 524 -1.292 -1.797 -0.780 408 H SER 525 HN SER 525 -3.730 -7.752 -4.998 409 HA SER 525 HA SER 525 -5.760 -5.695 -5.032 410 HB2 SER 525 HB2 SER 525 -7.287 -7.744 -4.779 411 HB3 SER 525 HB1 SER 525 -6.340 -7.633 -6.263 412 HG SER 525 HG SER 525 -5.319 -9.381 -5.719 413 H PHE 526 HN PHE 526 -7.307 -5.348 -3.296 414 HA PHE 526 HA PHE 526 -6.417 -6.432 -0.718 415 HB2 PHE 526 HB2 PHE 526 -5.433 -4.096 -1.175 416 HB3 PHE 526 HB1 PHE 526 -7.081 -3.508 -1.004 417 HD1 PHE 526 HD1 PHE 526 -8.210 -3.554 1.127 418 HD2 PHE 526 HD2 PHE 526 -4.209 -4.931 0.727 419 HE1 PHE 526 HE1 PHE 526 -7.941 -3.472 3.570 420 HE2 PHE 526 HE2 PHE 526 -3.933 -4.857 3.170 421 HZ PHE 526 HZ PHE 526 -5.799 -4.161 4.592 422 H ASP 527 HN ASP 527 -8.099 -7.475 0.023 423 HA ASP 527 HA ASP 527 -10.796 -6.483 -0.347 424 HB2 ASP 527 HB2 ASP 527 -10.108 -8.945 -0.229 425 HB3 ASP 527 HB1 ASP 527 -9.911 -8.696 1.500 426 H LEU 528 HN LEU 528 -11.457 -4.825 0.834 427 HA LEU 528 HA LEU 528 -9.943 -3.768 2.952 428 HB2 LEU 528 HB2 LEU 528 -12.743 -3.186 2.017 429 HB3 LEU 528 HB1 LEU 528 -11.880 -2.221 3.197 430 HG LEU 528 HG LEU 528 -10.899 -2.674 0.383 431 HD11 LEU 528 HD11 LEU 528 -13.021 -1.481 0.335 432 HD12 LEU 528 HD12 LEU 528 -11.683 -0.409 -0.082 433 HD13 LEU 528 HD13 LEU 528 -12.409 -0.330 1.524 434 HD21 LEU 528 HD21 LEU 528 -9.150 -2.112 1.967 435 HD22 LEU 528 HD22 LEU 528 -10.084 -0.725 2.532 436 HD23 LEU 528 HD23 LEU 528 -9.457 -0.756 0.881 437 H GLU 529 HN GLU 529 -12.422 -6.136 2.918 438 HA GLU 529 HA GLU 529 -12.978 -5.782 5.758 439 HB2 GLU 529 HB2 GLU 529 -14.223 -7.468 3.598 440 HB3 GLU 529 HB1 GLU 529 -14.642 -7.649 5.296 441 HG2 GLU 529 HG2 GLU 529 -14.903 -5.110 3.707 442 HG3 GLU 529 HG1 GLU 529 -16.215 -6.230 4.063 443 H ARG 530 HN ARG 530 -11.747 -8.252 3.517 444 HA ARG 530 HA ARG 530 -11.226 -10.054 5.731 445 HB2 ARG 530 HB2 ARG 530 -10.995 -10.308 2.746 446 HB3 ARG 530 HB1 ARG 530 -10.468 -11.565 3.845 447 HG2 ARG 530 HG2 ARG 530 -12.728 -11.766 4.727 448 HG3 ARG 530 HG1 ARG 530 -13.261 -10.469 3.656 449 HD2 ARG 530 HD2 ARG 530 -12.069 -13.079 2.735 450 HD3 ARG 530 HD1 ARG 530 -13.796 -12.733 2.798 451 HE ARG 530 HE ARG 530 -12.882 -10.715 1.288 452 HH11 ARG 530 HH11 ARG 530 -12.268 -14.161 1.113 453 HH12 ARG 530 HH12 ARG 530 -12.101 -14.167 -0.614 454 HH21 ARG 530 HH21 ARG 530 -12.655 -10.716 -0.964 455 HH22 ARG 530 HH22 ARG 530 -12.321 -12.208 -1.798 456 H ASP 531 HN ASP 531 -9.353 -8.099 3.453 457 HA ASP 531 HA ASP 531 -6.915 -9.493 4.149 458 HB2 ASP 531 HB2 ASP 531 -7.546 -7.305 2.199 459 HB3 ASP 531 HB1 ASP 531 -5.878 -7.682 2.618 460 H VAL 532 HN VAL 532 -5.051 -8.527 4.959 461 HA VAL 532 HA VAL 532 -5.483 -6.126 6.612 462 HB VAL 532 HB VAL 532 -4.099 -8.702 7.392 463 HG11 VAL 532 HG11 VAL 532 -3.583 -7.631 9.534 464 HG12 VAL 532 HG12 VAL 532 -4.211 -6.103 8.917 465 HG13 VAL 532 HG13 VAL 532 -2.773 -6.823 8.192 466 HG21 VAL 532 HG21 VAL 532 -6.484 -7.263 8.541 467 HG22 VAL 532 HG22 VAL 532 -5.739 -8.705 9.232 468 HG23 VAL 532 HG23 VAL 532 -6.502 -8.781 7.644 469 HA PRO 533 HA PRO 533 -2.087 -4.466 4.346 470 HB2 PRO 533 HB2 PRO 533 -1.578 -3.026 6.906 471 HB3 PRO 533 HB1 PRO 533 -1.746 -2.387 5.269 472 HG2 PRO 533 HG2 PRO 533 -3.739 -2.130 6.991 473 HG3 PRO 533 HG1 PRO 533 -4.071 -2.555 5.302 474 HD2 PRO 533 HD2 PRO 533 -4.044 -4.302 7.729 475 HD3 PRO 533 HD1 PRO 533 -5.160 -4.307 6.355 476 H GLU 534 HN GLU 534 -1.443 -5.451 7.719 477 HA GLU 534 HA GLU 534 1.355 -5.750 7.267 478 HB2 GLU 534 HB2 GLU 534 -0.476 -6.621 9.491 479 HB3 GLU 534 HB1 GLU 534 1.236 -7.014 9.479 480 HG2 GLU 534 HG2 GLU 534 1.777 -4.628 9.389 481 HG3 GLU 534 HG1 GLU 534 0.059 -4.249 9.434 482 H ASP 535 HN ASP 535 -1.406 -7.786 6.825 483 HA ASP 535 HA ASP 535 -0.009 -10.278 6.722 484 HB2 ASP 535 HB2 ASP 535 -2.512 -9.955 7.070 485 HB3 ASP 535 HB1 ASP 535 -2.618 -9.600 5.353 486 H VAL 536 HN VAL 536 -1.211 -7.982 4.332 487 HA VAL 536 HA VAL 536 -0.436 -9.391 2.030 488 HB VAL 536 HB VAL 536 -0.836 -6.421 2.424 489 HG11 VAL 536 HG11 VAL 536 0.504 -6.915 0.419 490 HG12 VAL 536 HG12 VAL 536 -1.088 -6.270 0.017 491 HG13 VAL 536 HG13 VAL 536 -0.767 -7.998 -0.147 492 HG21 VAL 536 HG21 VAL 536 -2.682 -8.571 1.401 493 HG22 VAL 536 HG22 VAL 536 -3.046 -6.846 1.442 494 HG23 VAL 536 HG23 VAL 536 -2.812 -7.737 2.950 495 H ALA 537 HN ALA 537 1.248 -6.956 3.966 496 HA ALA 537 HA ALA 537 3.446 -6.684 2.208 497 HB1 ALA 537 HB1 ALA 537 3.418 -6.155 5.171 498 HB2 ALA 537 HB2 ALA 537 2.844 -5.028 3.943 499 HB3 ALA 537 HB3 ALA 537 4.546 -5.499 3.981 500 H GLN 538 HN GLN 538 2.585 -9.171 4.426 501 HA GLN 538 HA GLN 538 5.261 -10.206 4.699 502 HB2 GLN 538 HB2 GLN 538 2.541 -11.256 5.410 503 HB3 GLN 538 HB1 GLN 538 3.944 -12.316 5.444 504 HG2 GLN 538 HG2 GLN 538 3.633 -9.760 6.989 505 HG3 GLN 538 HG1 GLN 538 3.462 -11.386 7.642 506 HE21 GLN 538 HE21 GLN 538 5.656 -12.464 6.075 507 HE22 GLN 538 HE22 GLN 538 7.111 -11.863 6.793 508 H GLU 539 HN GLU 539 2.410 -10.937 2.730 509 HA GLU 539 HA GLU 539 3.478 -12.996 1.170 510 HB2 GLU 539 HB2 GLU 539 1.685 -10.743 0.220 511 HB3 GLU 539 HB1 GLU 539 1.884 -12.306 -0.554 512 HG2 GLU 539 HG2 GLU 539 0.745 -11.918 2.201 513 HG3 GLU 539 HG1 GLU 539 -0.217 -12.046 0.735 514 H MET 540 HN MET 540 3.702 -9.507 0.901 515 HA MET 540 HA MET 540 5.132 -9.230 -1.445 516 HB2 MET 540 HB2 MET 540 5.159 -7.620 1.092 517 HB3 MET 540 HB1 MET 540 6.031 -7.132 -0.355 518 HG2 MET 540 HG2 MET 540 3.958 -7.124 -1.618 519 HG3 MET 540 HG1 MET 540 3.076 -7.627 -0.179 520 HE1 MET 540 HE1 MET 540 2.621 -5.159 -2.156 521 HE2 MET 540 HE2 MET 540 2.123 -3.885 -1.040 522 HE3 MET 540 HE3 MET 540 1.490 -5.521 -0.852 523 H VAL 541 HN VAL 541 6.314 -9.868 1.823 524 HA VAL 541 HA VAL 541 9.076 -9.744 1.162 525 HB VAL 541 HB VAL 541 7.746 -11.142 3.492 526 HG11 VAL 541 HG11 VAL 541 10.602 -10.242 3.115 527 HG12 VAL 541 HG12 VAL 541 10.030 -11.910 3.161 528 HG13 VAL 541 HG13 VAL 541 9.922 -10.900 4.604 529 HG21 VAL 541 HG21 VAL 541 8.903 -8.363 3.322 530 HG22 VAL 541 HG22 VAL 541 8.194 -9.117 4.750 531 HG23 VAL 541 HG23 VAL 541 7.183 -8.758 3.350 532 H GLU 542 HN GLU 542 6.774 -12.418 1.554 533 HA GLU 542 HA GLU 542 8.695 -14.471 1.238 534 HB2 GLU 542 HB2 GLU 542 5.708 -14.547 0.813 535 HB3 GLU 542 HB1 GLU 542 6.755 -15.955 0.958 536 HG2 GLU 542 HG2 GLU 542 7.386 -15.171 3.234 537 HG3 GLU 542 HG1 GLU 542 6.182 -13.895 3.072 538 H SER 543 HN SER 543 6.663 -12.731 -1.050 539 HA SER 543 HA SER 543 7.215 -14.512 -3.210 540 HB2 SER 543 HB2 SER 543 6.171 -11.675 -3.303 541 HB3 SER 543 HB1 SER 543 6.090 -12.858 -4.610 542 HG SER 543 HG SER 543 5.043 -14.000 -2.473 543 H GLY 544 HN GLY 544 9.080 -12.169 -1.683 544 HA2 GLY 544 HA2 GLY 544 11.347 -11.807 -2.192 545 HA3 GLY 544 HA1 GLY 544 11.042 -12.340 -3.836 546 H TYR 545 HN TYR 545 8.810 -10.057 -2.617 547 HA TYR 545 HA TYR 545 9.862 -8.059 -4.460 548 HB2 TYR 545 HB2 TYR 545 7.284 -8.225 -2.898 549 HB3 TYR 545 HB1 TYR 545 7.722 -6.863 -3.916 550 HD1 TYR 545 HD2 TYR 545 8.616 -7.803 -6.364 551 HD2 TYR 545 HD1 TYR 545 5.713 -9.605 -3.835 552 HE1 TYR 545 HE2 TYR 545 7.626 -8.924 -8.313 553 HE2 TYR 545 HE1 TYR 545 4.710 -10.727 -5.778 554 HH TYR 545 HH TYR 545 6.236 -10.782 -8.871 555 H VAL 546 HN VAL 546 8.840 -8.281 -1.083 556 HA VAL 546 HA VAL 546 10.253 -5.756 -0.529 557 HB VAL 546 HB VAL 546 7.867 -7.012 0.834 558 HG11 VAL 546 HG11 VAL 546 7.835 -5.195 2.386 559 HG12 VAL 546 HG12 VAL 546 9.231 -4.448 1.610 560 HG13 VAL 546 HG13 VAL 546 9.414 -5.976 2.473 561 HG21 VAL 546 HG21 VAL 546 6.696 -4.998 0.129 562 HG22 VAL 546 HG22 VAL 546 7.392 -5.832 -1.262 563 HG23 VAL 546 HG23 VAL 546 8.173 -4.388 -0.619 564 H CYS 547 HN CYS 547 11.584 -5.630 1.260 565 HA CYS 547 HA CYS 547 12.625 -8.119 2.300 566 HB2 CYS 547 HB2 CYS 547 14.159 -6.269 1.804 567 HB3 CYS 547 HB1 CYS 547 13.309 -5.241 2.953 568 HG CYS 547 HG CYS 547 15.871 -7.143 3.484 569 H GLU 548 HN GLU 548 12.362 -8.890 4.344 570 HA GLU 548 HA GLU 548 9.972 -8.421 5.677 571 HB2 GLU 548 HB2 GLU 548 11.260 -10.495 5.860 572 HB3 GLU 548 HB1 GLU 548 12.522 -9.654 6.721 573 HG2 GLU 548 HG2 GLU 548 9.736 -9.746 7.802 574 HG3 GLU 548 HG1 GLU 548 10.845 -11.096 8.033 575 H GLY 549 HN GLY 549 13.122 -6.941 6.106 576 HA2 GLY 549 HA2 GLY 549 12.613 -5.659 8.570 577 HA3 GLY 549 HA1 GLY 549 13.793 -5.148 7.372 578 H ASP 550 HN ASP 550 11.763 -4.853 5.276 579 HA ASP 550 HA ASP 550 10.986 -2.144 5.996 580 HB2 ASP 550 HB2 ASP 550 10.832 -3.584 3.342 581 HB3 ASP 550 HB1 ASP 550 10.468 -1.884 3.598 582 H HIS 551 HN HIS 551 9.612 -4.934 6.585 583 HA HIS 551 HA HIS 551 7.090 -5.008 5.421 584 HB2 HIS 551 HB2 HIS 551 7.933 -6.851 6.767 585 HB3 HIS 551 HB1 HIS 551 7.947 -5.842 8.207 586 HD1 HIS 551 HD1 HIS 551 5.806 -5.716 9.555 587 HD2 HIS 551 HD2 HIS 551 5.305 -7.603 5.884 588 HE1 HIS 551 HE1 HIS 551 3.471 -6.640 9.585 589 HE2 HIS 551 HE2 HIS 551 3.245 -7.907 7.417 590 H LYS 552 HN LYS 552 8.216 -3.139 8.194 591 HA LYS 552 HA LYS 552 5.646 -2.321 9.078 592 HB2 LYS 552 HB2 LYS 552 8.383 -1.124 9.541 593 HB3 LYS 552 HB1 LYS 552 6.925 -0.520 10.304 594 HG2 LYS 552 HG2 LYS 552 7.788 -1.877 11.938 595 HG3 LYS 552 HG1 LYS 552 6.652 -2.957 11.138 596 HD2 LYS 552 HD2 LYS 552 8.487 -4.318 11.304 597 HD3 LYS 552 HD1 LYS 552 8.759 -3.610 9.713 598 HE2 LYS 552 HE2 LYS 552 9.927 -2.385 12.192 599 HE3 LYS 552 HE1 LYS 552 10.728 -3.719 11.368 600 HZ1 LYS 552 HZ1 LYS 552 10.039 -1.109 10.126 601 HZ2 LYS 552 HZ2 LYS 552 10.864 -2.384 9.374 602 HZ3 LYS 552 HZ3 LYS 552 11.575 -1.563 10.669 603 H THR 553 HN THR 553 8.074 -0.867 6.997 604 HA THR 553 HA THR 553 6.789 1.596 6.558 605 HB THR 553 HB THR 553 8.731 0.112 4.776 606 HG1 THR 553 HG1 THR 553 9.384 2.176 6.603 607 HG21 THR 553 HG21 THR 553 9.337 2.372 3.975 608 HG22 THR 553 HG22 THR 553 7.997 3.038 4.909 609 HG23 THR 553 HG23 THR 553 7.680 1.928 3.576 610 H MET 554 HN MET 554 6.767 -1.458 4.758 611 HA MET 554 HA MET 554 5.221 -0.502 2.589 612 HB2 MET 554 HB2 MET 554 5.612 -3.318 3.598 613 HB3 MET 554 HB1 MET 554 4.917 -2.889 2.044 614 HG2 MET 554 HG2 MET 554 7.723 -2.409 2.986 615 HG3 MET 554 HG1 MET 554 7.181 -3.496 1.708 616 HE1 MET 554 HE1 MET 554 9.505 -1.191 1.521 617 HE2 MET 554 HE2 MET 554 9.204 -0.675 -0.138 618 HE3 MET 554 HE3 MET 554 9.139 -2.388 0.277 619 H ALA 555 HN ALA 555 4.385 -2.351 5.494 620 HA ALA 555 HA ALA 555 1.643 -2.642 4.926 621 HB1 ALA 555 HB1 ALA 555 1.406 -3.136 7.321 622 HB2 ALA 555 HB2 ALA 555 3.033 -2.512 7.613 623 HB3 ALA 555 HB3 ALA 555 2.804 -3.965 6.633 624 H LYS 556 HN LYS 556 3.492 -0.030 6.341 625 HA LYS 556 HA LYS 556 1.235 1.442 7.284 626 HB2 LYS 556 HB2 LYS 556 3.882 1.622 7.757 627 HB3 LYS 556 HB1 LYS 556 3.723 2.885 6.542 628 HG2 LYS 556 HG2 LYS 556 2.114 2.727 9.083 629 HG3 LYS 556 HG1 LYS 556 3.551 3.720 8.860 630 HD2 LYS 556 HD2 LYS 556 1.111 3.974 7.114 631 HD3 LYS 556 HD1 LYS 556 1.303 4.878 8.616 632 HE2 LYS 556 HE2 LYS 556 3.472 5.751 7.696 633 HE3 LYS 556 HE1 LYS 556 3.042 5.005 6.157 634 HZ1 LYS 556 HZ1 LYS 556 2.469 7.425 6.391 635 HZ2 LYS 556 HZ2 LYS 556 1.308 6.976 7.534 636 HZ3 LYS 556 HZ3 LYS 556 1.174 6.428 5.943 637 H ALA 557 HN ALA 557 3.166 1.396 4.329 638 HA ALA 557 HA ALA 557 1.915 3.518 2.982 639 HB1 ALA 557 HB1 ALA 557 2.982 0.959 1.773 640 HB2 ALA 557 HB2 ALA 557 3.968 2.364 2.178 641 HB3 ALA 557 HB3 ALA 557 2.725 2.489 0.936 642 H ILE 558 HN ILE 558 1.198 0.069 3.090 643 HA ILE 558 HA ILE 558 -1.073 0.058 1.463 644 HB ILE 558 HB ILE 558 -0.497 -1.712 3.848 645 HG12 ILE 558 HG12 ILE 558 0.266 -2.077 0.952 646 HG13 ILE 558 HG11 ILE 558 1.365 -1.634 2.237 647 HG21 ILE 558 HG21 ILE 558 -2.757 -2.008 3.152 648 HG22 ILE 558 HG22 ILE 558 -1.824 -3.376 2.537 649 HG23 ILE 558 HG23 ILE 558 -2.282 -2.065 1.453 650 HD11 ILE 558 HD11 ILE 558 0.922 -3.772 3.332 651 HD12 ILE 558 HD12 ILE 558 1.582 -3.967 1.710 652 HD13 ILE 558 HD13 ILE 558 -0.140 -4.218 1.996 653 H LYS 559 HN LYS 559 -0.789 0.269 5.003 654 HA LYS 559 HA LYS 559 -3.538 0.448 5.546 655 HB2 LYS 559 HB2 LYS 559 -1.631 -0.034 7.166 656 HB3 LYS 559 HB1 LYS 559 -1.377 1.707 7.220 657 HG2 LYS 559 HG2 LYS 559 -3.578 2.071 8.072 658 HG3 LYS 559 HG1 LYS 559 -3.986 0.370 7.862 659 HD2 LYS 559 HD2 LYS 559 -2.115 -0.148 9.474 660 HD3 LYS 559 HD1 LYS 559 -2.045 1.586 9.809 661 HE2 LYS 559 HE2 LYS 559 -4.504 -0.123 10.071 662 HE3 LYS 559 HE1 LYS 559 -3.449 0.319 11.416 663 HZ1 LYS 559 HZ1 LYS 559 -5.345 1.784 11.325 664 HZ2 LYS 559 HZ2 LYS 559 -5.018 2.185 9.718 665 HZ3 LYS 559 HZ3 LYS 559 -3.952 2.661 10.940 666 H ASP 560 HN ASP 560 -1.095 2.931 4.944 667 HA ASP 560 HA ASP 560 -2.522 5.217 5.628 668 HB2 ASP 560 HB2 ASP 560 -0.085 5.009 4.886 669 HB3 ASP 560 HB1 ASP 560 -0.689 5.023 3.237 670 H ARG 561 HN ARG 561 -2.280 3.617 2.472 671 HA ARG 561 HA ARG 561 -4.090 5.352 1.169 672 HB2 ARG 561 HB2 ARG 561 -2.403 3.985 -0.018 673 HB3 ARG 561 HB1 ARG 561 -3.294 2.536 0.413 674 HG2 ARG 561 HG2 ARG 561 -3.702 3.318 -1.907 675 HG3 ARG 561 HG1 ARG 561 -5.157 3.198 -0.916 676 HD2 ARG 561 HD2 ARG 561 -5.066 5.597 -0.490 677 HD3 ARG 561 HD1 ARG 561 -3.619 5.721 -1.476 678 HE ARG 561 HE ARG 561 -5.094 4.953 -3.359 679 HH11 ARG 561 HH11 ARG 561 -6.387 6.624 -0.575 680 HH12 ARG 561 HH12 ARG 561 -7.696 7.351 -1.449 681 HH21 ARG 561 HH21 ARG 561 -6.821 5.940 -4.526 682 HH22 ARG 561 HH22 ARG 561 -7.949 6.953 -3.681 683 H VAL 562 HN VAL 562 -4.441 2.103 2.545 684 HA VAL 562 HA VAL 562 -7.078 1.631 1.788 685 HB VAL 562 HB VAL 562 -5.551 0.625 4.192 686 HG11 VAL 562 HG11 VAL 562 -7.909 0.387 4.613 687 HG12 VAL 562 HG12 VAL 562 -7.223 -1.192 4.229 688 HG13 VAL 562 HG13 VAL 562 -8.155 -0.313 3.013 689 HG21 VAL 562 HG21 VAL 562 -6.144 -0.715 1.557 690 HG22 VAL 562 HG22 VAL 562 -5.139 -1.338 2.870 691 HG23 VAL 562 HG23 VAL 562 -4.619 0.081 1.955 692 H SER 563 HN SER 563 -5.772 3.269 4.630 693 HA SER 563 HA SER 563 -8.182 3.539 6.041 694 HB2 SER 563 HB2 SER 563 -5.812 3.969 6.882 695 HB3 SER 563 HB1 SER 563 -5.923 5.543 6.096 696 HG SER 563 HG SER 563 -6.530 5.520 8.356 697 H LEU 564 HN LEU 564 -6.655 5.584 3.585 698 HA LEU 564 HA LEU 564 -8.595 7.665 3.675 699 HB2 LEU 564 HB2 LEU 564 -6.809 6.849 1.382 700 HB3 LEU 564 HB1 LEU 564 -7.639 8.383 1.546 701 HG LEU 564 HG LEU 564 -5.407 7.374 3.310 702 HD11 LEU 564 HD11 LEU 564 -4.130 9.211 2.330 703 HD12 LEU 564 HD12 LEU 564 -5.493 9.600 1.280 704 HD13 LEU 564 HD13 LEU 564 -4.653 8.060 1.100 705 HD21 LEU 564 HD21 LEU 564 -6.887 10.001 3.370 706 HD22 LEU 564 HD22 LEU 564 -5.505 9.559 4.373 707 HD23 LEU 564 HD23 LEU 564 -7.036 8.707 4.557 708 H ILE 565 HN ILE 565 -8.213 4.754 1.773 709 HA ILE 565 HA ILE 565 -10.346 5.031 -0.003 710 HB ILE 565 HB ILE 565 -8.947 2.652 1.180 711 HG12 ILE 565 HG12 ILE 565 -8.927 3.812 -1.600 712 HG13 ILE 565 HG11 ILE 565 -7.797 4.277 -0.342 713 HG21 ILE 565 HG21 ILE 565 -9.997 1.251 -0.511 714 HG22 ILE 565 HG22 ILE 565 -11.003 2.609 -1.022 715 HG23 ILE 565 HG23 ILE 565 -11.197 1.924 0.593 716 HD11 ILE 565 HD11 ILE 565 -8.114 1.524 -1.477 717 HD12 ILE 565 HD12 ILE 565 -6.957 2.012 -0.240 718 HD13 ILE 565 HD13 ILE 565 -6.834 2.670 -1.871 719 H LYS 566 HN LYS 566 -10.197 3.555 3.203 720 HA LYS 566 HA LYS 566 -12.980 2.953 3.364 721 HB2 LYS 566 HB2 LYS 566 -10.823 3.210 5.464 722 HB3 LYS 566 HB1 LYS 566 -12.470 2.714 5.829 723 HG2 LYS 566 HG2 LYS 566 -12.256 0.735 4.551 724 HG3 LYS 566 HG1 LYS 566 -10.745 1.282 3.832 725 HD2 LYS 566 HD2 LYS 566 -9.581 1.041 5.887 726 HD3 LYS 566 HD1 LYS 566 -11.081 0.802 6.783 727 HE2 LYS 566 HE2 LYS 566 -10.376 -1.073 4.572 728 HE3 LYS 566 HE1 LYS 566 -9.578 -1.245 6.130 729 HZ1 LYS 566 HZ1 LYS 566 -11.719 -1.496 7.184 730 HZ2 LYS 566 HZ2 LYS 566 -11.576 -2.628 5.935 731 HZ3 LYS 566 HZ3 LYS 566 -12.517 -1.240 5.717 732 H ARG 567 HN ARG 567 -11.024 5.742 4.241 733 HA ARG 567 HA ARG 567 -12.947 7.136 5.740 734 HB2 ARG 567 HB2 ARG 567 -10.362 7.552 5.222 735 HB3 ARG 567 HB1 ARG 567 -11.029 8.622 4.000 736 HG2 ARG 567 HG2 ARG 567 -11.744 8.777 6.916 737 HG3 ARG 567 HG1 ARG 567 -10.444 9.708 6.173 738 HD2 ARG 567 HD2 ARG 567 -12.032 10.762 4.677 739 HD3 ARG 567 HD1 ARG 567 -13.339 9.791 5.349 740 HE ARG 567 HE ARG 567 -12.613 10.984 7.539 741 HH11 ARG 567 HH11 ARG 567 -12.703 12.402 4.336 742 HH12 ARG 567 HH12 ARG 567 -12.989 14.010 4.919 743 HH21 ARG 567 HH21 ARG 567 -12.993 13.100 8.307 744 HH22 ARG 567 HH22 ARG 567 -13.152 14.412 7.183 745 H LYS 568 HN LYS 568 -12.325 6.888 2.288 746 HA LYS 568 HA LYS 568 -14.137 8.790 1.347 747 HB2 LYS 568 HB2 LYS 568 -12.508 7.774 -0.113 748 HB3 LYS 568 HB1 LYS 568 -13.159 6.172 0.194 749 HG2 LYS 568 HG2 LYS 568 -13.886 6.815 -1.956 750 HG3 LYS 568 HG1 LYS 568 -15.271 6.925 -0.873 751 HD2 LYS 568 HD2 LYS 568 -15.083 9.309 -0.756 752 HD3 LYS 568 HD1 LYS 568 -13.551 9.279 -1.633 753 HE2 LYS 568 HE2 LYS 568 -15.246 9.955 -3.166 754 HE3 LYS 568 HE1 LYS 568 -14.775 8.310 -3.583 755 HZ1 LYS 568 HZ1 LYS 568 -17.243 9.202 -2.199 756 HZ2 LYS 568 HZ2 LYS 568 -16.750 7.583 -2.233 757 HZ3 LYS 568 HZ3 LYS 568 -17.107 8.381 -3.681 758 H ARG 569 HN ARG 569 -14.531 5.389 2.239 759 HA ARG 569 HA ARG 569 -17.265 5.194 1.604 760 HB2 ARG 569 HB2 ARG 569 -15.364 3.598 3.252 761 HB3 ARG 569 HB1 ARG 569 -17.075 3.191 3.201 762 HG2 ARG 569 HG2 ARG 569 -16.899 2.308 1.185 763 HG3 ARG 569 HG1 ARG 569 -15.978 3.669 0.570 764 HD2 ARG 569 HD2 ARG 569 -13.961 2.786 1.435 765 HD3 ARG 569 HD1 ARG 569 -14.813 1.501 2.285 766 HE ARG 569 HE ARG 569 -15.080 0.357 0.284 767 HH11 ARG 569 HH11 ARG 569 -13.571 3.471 -0.263 768 HH12 ARG 569 HH12 ARG 569 -13.038 3.067 -1.875 769 HH21 ARG 569 HH21 ARG 569 -14.365 -0.167 -1.816 770 HH22 ARG 569 HH22 ARG 569 -13.501 1.021 -2.763 771 H GLU 570 HN GLU 570 -15.576 6.452 4.368 772 HA GLU 570 HA GLU 570 -17.819 6.317 6.145 773 HB2 GLU 570 HB2 GLU 570 -15.234 7.857 6.278 774 HB3 GLU 570 HB1 GLU 570 -16.455 7.894 7.545 775 HG2 GLU 570 HG2 GLU 570 -14.996 5.456 6.566 776 HG3 GLU 570 HG1 GLU 570 -14.689 6.317 8.073 777 H GLN 571 HN GLN 571 -16.983 8.270 3.551 778 HA GLN 571 HA GLN 571 -19.204 10.078 4.211 779 HB2 GLN 571 HB2 GLN 571 -16.645 10.795 2.756 780 HB3 GLN 571 HB1 GLN 571 -18.046 11.848 2.891 781 HG2 GLN 571 HG2 GLN 571 -17.781 11.770 5.365 782 HG3 GLN 571 HG1 GLN 571 -16.283 10.875 5.124 783 HE21 GLN 571 HE21 GLN 571 -15.629 12.404 2.697 784 HE22 GLN 571 HE22 GLN 571 -15.085 13.947 3.255 785 H ARG 572 HN ARG 572 -19.253 11.297 1.615 786 HA ARG 572 HA ARG 572 -19.569 8.981 -0.165 787 HB2 ARG 572 HB2 ARG 572 -21.531 11.278 -0.001 788 HB3 ARG 572 HB1 ARG 572 -21.647 9.876 -1.055 789 HG2 ARG 572 HG2 ARG 572 -21.720 8.478 1.065 790 HG3 ARG 572 HG1 ARG 572 -21.978 9.997 1.925 791 HD2 ARG 572 HD2 ARG 572 -24.116 9.023 1.498 792 HD3 ARG 572 HD1 ARG 572 -23.935 10.416 0.431 793 HE ARG 572 HE ARG 572 -23.047 8.206 -0.984 794 HH11 ARG 572 HH11 ARG 572 -26.045 9.333 0.428 795 HH12 ARG 572 HH12 ARG 572 -27.046 8.452 -0.683 796 HH21 ARG 572 HH21 ARG 572 -24.355 7.039 -2.439 797 HH22 ARG 572 HH22 ARG 572 -26.084 7.157 -2.324 Start of MODEL 11 1 H1 GLY 475 HT1 GLY 475 13.183 9.216 3.850 2 H2 GLY 475 HT2 GLY 475 12.810 10.628 3.003 3 H3 GLY 475 HT3 GLY 475 13.142 9.200 2.156 4 HA2 GLY 475 HA1 GLY 475 11.166 8.168 3.126 5 HA3 GLY 475 HA2 GLY 475 10.817 9.680 3.943 6 H ALA 476 HN ALA 476 12.196 10.375 1.010 7 HA ALA 476 HA ALA 476 10.160 9.908 -0.859 8 HB1 ALA 476 HB1 ALA 476 9.268 12.209 -1.086 9 HB2 ALA 476 HB2 ALA 476 10.117 12.664 0.394 10 HB3 ALA 476 HB3 ALA 476 8.823 11.465 0.450 11 H MET 477 HN MET 477 10.530 11.610 -2.792 12 HA MET 477 HA MET 477 13.334 11.716 -3.325 13 HB2 MET 477 HB2 MET 477 11.633 11.546 -5.129 14 HB3 MET 477 HB1 MET 477 11.076 13.164 -4.731 15 HG2 MET 477 HG2 MET 477 13.236 14.083 -5.344 16 HG3 MET 477 HG1 MET 477 13.837 12.464 -5.698 17 HE1 MET 477 HE1 MET 477 10.570 14.633 -8.134 18 HE2 MET 477 HE2 MET 477 11.435 15.353 -6.776 19 HE3 MET 477 HE3 MET 477 10.294 14.037 -6.498 20 H ASP 478 HN ASP 478 10.909 14.274 -2.973 21 HA ASP 478 HA ASP 478 12.784 16.287 -2.197 22 HB2 ASP 478 HB2 ASP 478 10.697 17.555 -1.590 23 HB3 ASP 478 HB1 ASP 478 10.744 16.983 -3.254 24 HA PRO 479 HA PRO 479 13.363 15.342 2.102 25 HB2 PRO 479 HB2 PRO 479 13.370 18.302 2.371 26 HB3 PRO 479 HB1 PRO 479 14.583 17.122 2.881 27 HG2 PRO 479 HG2 PRO 479 15.001 18.638 0.750 28 HG3 PRO 479 HG1 PRO 479 15.468 16.927 0.741 29 HD2 PRO 479 HD2 PRO 479 13.095 18.244 -0.518 30 HD3 PRO 479 HD1 PRO 479 14.143 16.961 -1.146 31 H GLN 480 HN GLN 480 10.698 15.110 1.526 32 HA GLN 480 HA GLN 480 9.487 16.359 3.897 33 HB2 GLN 480 HB2 GLN 480 8.194 15.922 1.205 34 HB3 GLN 480 HB1 GLN 480 7.320 16.385 2.660 35 HG2 GLN 480 HG2 GLN 480 9.590 17.980 1.545 36 HG3 GLN 480 HG1 GLN 480 7.914 18.239 1.061 37 HE21 GLN 480 HE21 GLN 480 9.767 20.020 2.424 38 HE22 GLN 480 HE22 GLN 480 9.008 20.454 3.915 39 H GLU 481 HN GLU 481 10.643 14.202 4.344 40 HA GLU 481 HA GLU 481 9.922 11.695 3.696 41 HB2 GLU 481 HB2 GLU 481 10.385 12.657 6.524 42 HB3 GLU 481 HB1 GLU 481 10.455 10.984 6.004 43 HG2 GLU 481 HG2 GLU 481 12.678 11.704 6.164 44 HG3 GLU 481 HG1 GLU 481 12.310 11.674 4.443 45 H GLU 482 HN GLU 482 7.827 11.231 3.181 46 HA GLU 482 HA GLU 482 5.781 11.587 5.222 47 HB2 GLU 482 HB2 GLU 482 4.215 10.789 3.453 48 HB3 GLU 482 HB1 GLU 482 5.108 12.233 3.005 49 HG2 GLU 482 HG2 GLU 482 6.604 10.911 1.625 50 HG3 GLU 482 HG1 GLU 482 5.777 9.434 2.118 51 H THR 483 HN THR 483 7.267 9.004 3.317 52 HA THR 483 HA THR 483 6.975 7.108 5.450 53 HB THR 483 HB THR 483 5.791 5.602 3.492 54 HG1 THR 483 HG1 THR 483 4.423 6.782 2.349 55 HG21 THR 483 HG21 THR 483 5.213 5.626 5.883 56 HG22 THR 483 HG22 THR 483 3.789 5.653 4.846 57 HG23 THR 483 HG23 THR 483 4.330 7.133 5.641 58 H GLY 484 HN GLY 484 7.709 7.786 2.094 59 HA2 GLY 484 HA2 GLY 484 9.613 7.065 0.906 60 HA3 GLY 484 HA1 GLY 484 9.874 5.812 2.121 61 H VAL 485 HN VAL 485 6.696 5.949 1.464 62 HA VAL 485 HA VAL 485 6.658 4.213 -0.864 63 HB VAL 485 HB VAL 485 5.010 2.743 0.544 64 HG11 VAL 485 HG11 VAL 485 7.053 1.925 -0.510 65 HG12 VAL 485 HG12 VAL 485 6.785 1.194 1.074 66 HG13 VAL 485 HG13 VAL 485 7.987 2.474 0.883 67 HG21 VAL 485 HG21 VAL 485 5.768 2.496 2.880 68 HG22 VAL 485 HG22 VAL 485 5.055 4.076 2.535 69 HG23 VAL 485 HG23 VAL 485 6.808 3.907 2.654 70 H ARG 486 HN ARG 486 4.571 4.033 -1.761 71 HA ARG 486 HA ARG 486 2.347 5.312 -0.463 72 HB2 ARG 486 HB2 ARG 486 3.477 7.232 -1.457 73 HB3 ARG 486 HB1 ARG 486 3.418 6.468 -3.038 74 HG2 ARG 486 HG2 ARG 486 1.686 8.199 -2.716 75 HG3 ARG 486 HG1 ARG 486 1.015 6.603 -3.063 76 HD2 ARG 486 HD2 ARG 486 -0.196 7.763 -1.257 77 HD3 ARG 486 HD1 ARG 486 0.534 6.245 -0.721 78 HE ARG 486 HE ARG 486 2.281 8.435 -0.234 79 HH11 ARG 486 HH11 ARG 486 -0.684 7.002 0.941 80 HH12 ARG 486 HH12 ARG 486 -0.444 7.530 2.581 81 HH21 ARG 486 HH21 ARG 486 2.620 9.122 1.899 82 HH22 ARG 486 HH22 ARG 486 1.446 8.730 3.128 83 H VAL 487 HN VAL 487 0.469 4.512 -1.110 84 HA VAL 487 HA VAL 487 0.567 2.515 -3.261 85 HB VAL 487 HB VAL 487 -1.295 2.619 -0.887 86 HG11 VAL 487 HG11 VAL 487 -2.279 1.530 -2.847 87 HG12 VAL 487 HG12 VAL 487 -1.943 0.369 -1.563 88 HG13 VAL 487 HG13 VAL 487 -0.873 0.472 -2.962 89 HG21 VAL 487 HG21 VAL 487 1.117 0.914 -1.441 90 HG22 VAL 487 HG22 VAL 487 0.011 0.705 -0.082 91 HG23 VAL 487 HG23 VAL 487 0.979 2.178 -0.217 92 H GLU 488 HN GLU 488 -0.877 2.555 -4.849 93 HA GLU 488 HA GLU 488 -2.940 4.654 -4.812 94 HB2 GLU 488 HB2 GLU 488 -1.000 4.118 -7.077 95 HB3 GLU 488 HB1 GLU 488 -2.325 5.276 -7.116 96 HG2 GLU 488 HG2 GLU 488 -1.269 6.504 -5.258 97 HG3 GLU 488 HG1 GLU 488 0.078 5.370 -5.307 98 H LEU 489 HN LEU 489 -4.523 4.361 -6.598 99 HA LEU 489 HA LEU 489 -5.415 1.613 -6.455 100 HB2 LEU 489 HB2 LEU 489 -6.673 4.126 -7.517 101 HB3 LEU 489 HB1 LEU 489 -7.454 2.560 -7.576 102 HG LEU 489 HG LEU 489 -6.580 3.879 -5.008 103 HD11 LEU 489 HD11 LEU 489 -9.006 4.393 -4.764 104 HD12 LEU 489 HD12 LEU 489 -9.229 3.918 -6.447 105 HD13 LEU 489 HD13 LEU 489 -8.208 5.299 -6.046 106 HD21 LEU 489 HD21 LEU 489 -8.540 1.641 -5.543 107 HD22 LEU 489 HD22 LEU 489 -8.071 2.279 -3.965 108 HD23 LEU 489 HD23 LEU 489 -6.893 1.419 -4.956 109 H ALA 490 HN ALA 490 -5.616 0.203 -8.094 110 HA ALA 490 HA ALA 490 -4.583 0.912 -10.719 111 HB1 ALA 490 HB1 ALA 490 -4.912 -1.452 -11.248 112 HB2 ALA 490 HB2 ALA 490 -5.700 -1.695 -9.691 113 HB3 ALA 490 HB3 ALA 490 -3.994 -1.259 -9.756 114 H GLU 491 HN GLU 491 -7.460 1.030 -9.066 115 HA GLU 491 HA GLU 491 -9.036 1.488 -11.440 116 HB2 GLU 491 HB2 GLU 491 -10.769 -0.153 -10.813 117 HB3 GLU 491 HB1 GLU 491 -9.242 -0.936 -11.197 118 HG2 GLU 491 HG2 GLU 491 -8.764 -1.088 -8.779 119 HG3 GLU 491 HG1 GLU 491 -10.360 -0.417 -8.455 120 H GLU 492 HN GLU 492 -11.308 2.143 -10.747 121 HA GLU 492 HA GLU 492 -11.025 4.164 -8.747 122 HB2 GLU 492 HB2 GLU 492 -13.439 3.301 -10.348 123 HB3 GLU 492 HB1 GLU 492 -13.341 4.755 -9.361 124 HG2 GLU 492 HG2 GLU 492 -11.596 4.156 -11.740 125 HG3 GLU 492 HG1 GLU 492 -13.021 5.196 -11.759 126 H ASP 493 HN ASP 493 -11.436 3.968 -6.659 127 HA ASP 493 HA ASP 493 -12.473 1.554 -5.596 128 HB2 ASP 493 HB2 ASP 493 -12.078 2.645 -3.421 129 HB3 ASP 493 HB1 ASP 493 -10.670 2.662 -4.449 130 H ASP 494 HN ASP 494 -14.537 1.452 -6.437 131 HA ASP 494 HA ASP 494 -16.597 3.291 -6.203 132 HB2 ASP 494 HB2 ASP 494 -17.020 1.435 -7.566 133 HB3 ASP 494 HB1 ASP 494 -16.542 0.291 -6.319 134 H GLY 495 HN GLY 495 -15.902 0.592 -3.985 135 HA2 GLY 495 HA2 GLY 495 -15.752 1.278 -1.612 136 HA3 GLY 495 HA1 GLY 495 -17.245 2.166 -1.881 137 H GLU 496 HN GLU 496 -18.500 0.053 -3.475 138 HA GLU 496 HA GLU 496 -19.432 -1.601 -1.319 139 HB2 GLU 496 HB2 GLU 496 -19.954 -1.800 -4.294 140 HB3 GLU 496 HB1 GLU 496 -20.809 -2.705 -3.052 141 HG2 GLU 496 HG2 GLU 496 -20.811 0.283 -3.412 142 HG3 GLU 496 HG1 GLU 496 -22.129 -0.824 -3.794 143 H LYS 497 HN LYS 497 -16.968 -1.737 -3.636 144 HA LYS 497 HA LYS 497 -16.472 -4.450 -3.915 145 HB2 LYS 497 HB2 LYS 497 -14.434 -2.239 -3.772 146 HB3 LYS 497 HB1 LYS 497 -14.323 -3.743 -4.648 147 HG2 LYS 497 HG2 LYS 497 -16.155 -2.998 -6.105 148 HG3 LYS 497 HG1 LYS 497 -16.150 -1.450 -5.259 149 HD2 LYS 497 HD2 LYS 497 -14.885 -1.236 -7.299 150 HD3 LYS 497 HD1 LYS 497 -13.781 -1.150 -5.925 151 HE2 LYS 497 HE2 LYS 497 -12.808 -2.531 -7.648 152 HE3 LYS 497 HE1 LYS 497 -13.230 -3.539 -6.267 153 HZ1 LYS 497 HZ1 LYS 497 -13.855 -4.585 -8.351 154 HZ2 LYS 497 HZ2 LYS 497 -14.823 -3.262 -8.757 155 HZ3 LYS 497 HZ3 LYS 497 -15.235 -4.231 -7.438 156 H ILE 498 HN ILE 498 -15.536 -5.922 -2.637 157 HA ILE 498 HA ILE 498 -14.656 -5.137 0.017 158 HB ILE 498 HB ILE 498 -14.918 -7.865 -1.224 159 HG12 ILE 498 HG12 ILE 498 -17.041 -6.628 -0.915 160 HG13 ILE 498 HG11 ILE 498 -16.917 -8.055 0.089 161 HG21 ILE 498 HG21 ILE 498 -14.672 -8.711 1.053 162 HG22 ILE 498 HG22 ILE 498 -14.409 -7.069 1.640 163 HG23 ILE 498 HG23 ILE 498 -13.239 -7.816 0.551 164 HD11 ILE 498 HD11 ILE 498 -16.271 -6.640 1.988 165 HD12 ILE 498 HD12 ILE 498 -17.877 -6.274 1.358 166 HD13 ILE 498 HD13 ILE 498 -16.517 -5.222 0.968 167 H ALA 499 HN ALA 499 -13.475 -6.523 -2.962 168 HA ALA 499 HA ALA 499 -10.736 -6.264 -1.932 169 HB1 ALA 499 HB1 ALA 499 -11.359 -8.578 -2.187 170 HB2 ALA 499 HB2 ALA 499 -10.135 -8.137 -3.382 171 HB3 ALA 499 HB3 ALA 499 -11.828 -8.289 -3.862 172 H ILE 500 HN ILE 500 -9.559 -4.834 -2.924 173 HA ILE 500 HA ILE 500 -10.352 -3.919 -5.611 174 HB ILE 500 HB ILE 500 -9.496 -1.751 -5.056 175 HG12 ILE 500 HG12 ILE 500 -8.620 -2.997 -2.442 176 HG13 ILE 500 HG11 ILE 500 -7.576 -2.376 -3.712 177 HG21 ILE 500 HG21 ILE 500 -10.988 -1.120 -3.221 178 HG22 ILE 500 HG22 ILE 500 -11.168 -2.824 -2.801 179 HG23 ILE 500 HG23 ILE 500 -11.766 -2.228 -4.351 180 HD11 ILE 500 HD11 ILE 500 -8.384 -0.131 -3.297 181 HD12 ILE 500 HD12 ILE 500 -7.717 -0.852 -1.831 182 HD13 ILE 500 HD13 ILE 500 -9.464 -0.745 -2.045 183 H LYS 501 HN LYS 501 -8.306 -2.615 -6.528 184 HA LYS 501 HA LYS 501 -5.960 -4.355 -6.191 185 HB2 LYS 501 HB2 LYS 501 -7.141 -4.730 -8.360 186 HB3 LYS 501 HB1 LYS 501 -6.832 -3.051 -8.774 187 HG2 LYS 501 HG2 LYS 501 -5.198 -4.411 -9.858 188 HG3 LYS 501 HG1 LYS 501 -4.398 -3.504 -8.573 189 HD2 LYS 501 HD2 LYS 501 -3.548 -5.683 -8.394 190 HD3 LYS 501 HD1 LYS 501 -4.758 -5.572 -7.122 191 HE2 LYS 501 HE2 LYS 501 -5.069 -7.669 -8.183 192 HE3 LYS 501 HE1 LYS 501 -6.380 -6.622 -8.722 193 HZ1 LYS 501 HZ1 LYS 501 -5.205 -6.241 -10.783 194 HZ2 LYS 501 HZ2 LYS 501 -5.416 -7.898 -10.547 195 HZ3 LYS 501 HZ3 LYS 501 -3.901 -7.191 -10.267 196 H LEU 502 HN LEU 502 -4.239 -3.345 -5.495 197 HA LEU 502 HA LEU 502 -4.001 -0.430 -5.896 198 HB2 LEU 502 HB2 LEU 502 -3.077 -2.135 -3.580 199 HB3 LEU 502 HB1 LEU 502 -2.773 -0.419 -3.750 200 HG LEU 502 HG LEU 502 -5.578 -1.491 -3.658 201 HD11 LEU 502 HD11 LEU 502 -4.420 -2.317 -1.675 202 HD12 LEU 502 HD12 LEU 502 -5.579 -1.056 -1.258 203 HD13 LEU 502 HD13 LEU 502 -3.857 -0.685 -1.317 204 HD21 LEU 502 HD21 LEU 502 -5.098 0.845 -4.415 205 HD22 LEU 502 HD22 LEU 502 -4.434 1.166 -2.812 206 HD23 LEU 502 HD23 LEU 502 -6.134 0.728 -2.994 207 H TRP 503 HN TRP 503 -1.826 0.378 -6.156 208 HA TRP 503 HA TRP 503 0.221 -1.686 -6.629 209 HB2 TRP 503 HB2 TRP 503 -0.143 0.968 -8.016 210 HB3 TRP 503 HB1 TRP 503 1.329 0.019 -8.121 211 HD1 TRP 503 HD1 TRP 503 -2.427 -0.588 -8.816 212 HE1 TRP 503 HE1 TRP 503 -2.640 -1.894 -11.025 213 HE3 TRP 503 HE3 TRP 503 2.516 -1.317 -9.797 214 HZ2 TRP 503 HZ2 TRP 503 -0.931 -3.085 -12.914 215 HZ3 TRP 503 HZ3 TRP 503 3.145 -2.570 -11.809 216 HH2 TRP 503 HH2 TRP 503 1.460 -3.437 -13.334 217 H LEU 504 HN LEU 504 1.945 -1.578 -5.353 218 HA LEU 504 HA LEU 504 2.234 0.651 -3.504 219 HB2 LEU 504 HB2 LEU 504 2.406 -1.587 -2.612 220 HB3 LEU 504 HB1 LEU 504 3.656 -1.991 -3.760 221 HG LEU 504 HG LEU 504 5.141 -0.315 -2.662 222 HD11 LEU 504 HD11 LEU 504 2.939 -0.225 -0.610 223 HD12 LEU 504 HD12 LEU 504 3.438 1.099 -1.663 224 HD13 LEU 504 HD13 LEU 504 4.544 0.484 -0.435 225 HD21 LEU 504 HD21 LEU 504 5.253 -2.710 -2.155 226 HD22 LEU 504 HD22 LEU 504 4.074 -2.483 -0.862 227 HD23 LEU 504 HD23 LEU 504 5.660 -1.718 -0.754 228 H ARG 505 HN ARG 505 3.280 2.366 -4.271 229 HA ARG 505 HA ARG 505 5.634 1.960 -5.973 230 HB2 ARG 505 HB2 ARG 505 3.807 4.297 -5.541 231 HB3 ARG 505 HB1 ARG 505 5.393 4.493 -6.274 232 HG2 ARG 505 HG2 ARG 505 4.788 2.877 -8.002 233 HG3 ARG 505 HG1 ARG 505 3.182 2.730 -7.288 234 HD2 ARG 505 HD2 ARG 505 2.699 5.021 -7.769 235 HD3 ARG 505 HD1 ARG 505 4.358 5.306 -8.291 236 HE ARG 505 HE ARG 505 3.913 3.810 -10.179 237 HH11 ARG 505 HH11 ARG 505 1.177 5.270 -8.530 238 HH12 ARG 505 HH12 ARG 505 0.075 4.960 -9.838 239 HH21 ARG 505 HH21 ARG 505 2.464 3.455 -11.905 240 HH22 ARG 505 HH22 ARG 505 0.809 3.951 -11.760 241 H ILE 506 HN ILE 506 7.634 2.706 -5.386 242 HA ILE 506 HA ILE 506 7.931 3.306 -2.544 243 HB ILE 506 HB ILE 506 10.181 2.830 -4.496 244 HG12 ILE 506 HG12 ILE 506 8.676 0.894 -4.602 245 HG13 ILE 506 HG11 ILE 506 10.171 0.476 -3.775 246 HG21 ILE 506 HG21 ILE 506 9.949 2.640 -1.507 247 HG22 ILE 506 HG22 ILE 506 10.876 3.818 -2.438 248 HG23 ILE 506 HG23 ILE 506 11.357 2.122 -2.435 249 HD11 ILE 506 HD11 ILE 506 9.015 0.709 -1.621 250 HD12 ILE 506 HD12 ILE 506 8.291 -0.522 -2.655 251 HD13 ILE 506 HD13 ILE 506 7.517 1.054 -2.484 252 H GLU 507 HN GLU 507 8.377 5.264 -1.808 253 HA GLU 507 HA GLU 507 8.717 7.461 -3.659 254 HB2 GLU 507 HB2 GLU 507 8.470 7.396 -0.646 255 HB3 GLU 507 HB1 GLU 507 8.466 8.841 -1.636 256 HG2 GLU 507 HG2 GLU 507 6.419 6.660 -1.576 257 HG3 GLU 507 HG1 GLU 507 6.226 8.325 -1.030 258 H ASP 508 HN ASP 508 10.582 5.625 -1.378 259 HA ASP 508 HA ASP 508 12.986 7.079 -2.147 260 HB2 ASP 508 HB2 ASP 508 11.934 8.094 -0.014 261 HB3 ASP 508 HB1 ASP 508 12.438 6.605 0.779 262 H ILE 509 HN ILE 509 13.665 5.201 -3.175 263 HA ILE 509 HA ILE 509 13.577 2.655 -1.900 264 HB ILE 509 HB ILE 509 14.822 1.834 -3.820 265 HG12 ILE 509 HG12 ILE 509 15.061 3.799 -5.660 266 HG13 ILE 509 HG11 ILE 509 15.423 4.701 -4.191 267 HG21 ILE 509 HG21 ILE 509 12.465 2.043 -4.095 268 HG22 ILE 509 HG22 ILE 509 13.243 2.529 -5.602 269 HG23 ILE 509 HG23 ILE 509 12.614 3.754 -4.497 270 HD11 ILE 509 HD11 ILE 509 16.826 2.214 -5.131 271 HD12 ILE 509 HD12 ILE 509 17.181 3.098 -3.647 272 HD13 ILE 509 HD13 ILE 509 17.449 3.862 -5.215 273 H LYS 510 HN LYS 510 15.582 5.291 -1.515 274 HA LYS 510 HA LYS 510 18.068 3.892 -1.140 275 HB2 LYS 510 HB2 LYS 510 17.257 6.735 -0.509 276 HB3 LYS 510 HB1 LYS 510 18.895 6.110 -0.433 277 HG2 LYS 510 HG2 LYS 510 17.230 6.167 -2.935 278 HG3 LYS 510 HG1 LYS 510 18.391 7.415 -2.481 279 HD2 LYS 510 HD2 LYS 510 20.190 5.774 -2.516 280 HD3 LYS 510 HD1 LYS 510 19.038 4.499 -2.913 281 HE2 LYS 510 HE2 LYS 510 20.249 5.279 -4.893 282 HE3 LYS 510 HE1 LYS 510 18.521 5.591 -5.020 283 HZ1 LYS 510 HZ1 LYS 510 18.935 7.886 -4.382 284 HZ2 LYS 510 HZ2 LYS 510 19.809 7.478 -5.768 285 HZ3 LYS 510 HZ3 LYS 510 20.594 7.580 -4.276 286 H LYS 511 HN LYS 511 15.375 4.871 0.820 287 HA LYS 511 HA LYS 511 16.807 4.684 3.309 288 HB2 LYS 511 HB2 LYS 511 13.864 4.965 2.707 289 HB3 LYS 511 HB1 LYS 511 14.579 5.060 4.301 290 HG2 LYS 511 HG2 LYS 511 15.134 6.920 2.019 291 HG3 LYS 511 HG1 LYS 511 14.109 7.266 3.411 292 HD2 LYS 511 HD2 LYS 511 16.034 7.070 4.889 293 HD3 LYS 511 HD1 LYS 511 17.063 6.664 3.515 294 HE2 LYS 511 HE2 LYS 511 15.579 9.257 3.921 295 HE3 LYS 511 HE1 LYS 511 17.312 9.011 4.126 296 HZ1 LYS 511 HZ1 LYS 511 16.840 9.993 1.989 297 HZ2 LYS 511 HZ2 LYS 511 15.796 8.724 1.583 298 HZ3 LYS 511 HZ3 LYS 511 17.454 8.433 1.773 299 H LEU 512 HN LEU 512 15.010 2.598 1.256 300 HA LEU 512 HA LEU 512 14.319 0.700 3.312 301 HB2 LEU 512 HB2 LEU 512 14.238 0.304 0.328 302 HB3 LEU 512 HB1 LEU 512 13.349 -0.588 1.547 303 HG LEU 512 HG LEU 512 12.911 2.305 0.809 304 HD11 LEU 512 HD11 LEU 512 12.145 0.835 -0.921 305 HD12 LEU 512 HD12 LEU 512 10.754 1.466 -0.038 306 HD13 LEU 512 HD13 LEU 512 11.315 -0.181 0.256 307 HD21 LEU 512 HD21 LEU 512 10.951 2.166 2.264 308 HD22 LEU 512 HD22 LEU 512 12.447 1.916 3.164 309 HD23 LEU 512 HD23 LEU 512 11.426 0.538 2.749 310 H LYS 513 HN LYS 513 15.064 -1.533 3.280 311 HA LYS 513 HA LYS 513 17.803 -1.760 2.225 312 HB2 LYS 513 HB2 LYS 513 17.539 -1.845 4.725 313 HB3 LYS 513 HB1 LYS 513 16.605 -3.317 4.522 314 HG2 LYS 513 HG2 LYS 513 18.932 -3.765 5.142 315 HG3 LYS 513 HG1 LYS 513 18.522 -4.445 3.566 316 HD2 LYS 513 HD2 LYS 513 19.627 -2.621 2.439 317 HD3 LYS 513 HD1 LYS 513 19.921 -1.803 3.973 318 HE2 LYS 513 HE2 LYS 513 21.031 -4.505 3.232 319 HE3 LYS 513 HE1 LYS 513 21.906 -2.986 3.062 320 HZ1 LYS 513 HZ1 LYS 513 20.928 -4.198 5.588 321 HZ2 LYS 513 HZ2 LYS 513 21.623 -2.660 5.476 322 HZ3 LYS 513 HZ3 LYS 513 22.539 -4.030 5.099 323 H GLY 514 HN GLY 514 16.466 -2.216 0.257 324 HA2 GLY 514 HA2 GLY 514 16.439 -5.062 -0.185 325 HA3 GLY 514 HA1 GLY 514 14.851 -4.310 -0.288 326 H LYS 515 HN LYS 515 15.154 -5.208 -2.570 327 HA LYS 515 HA LYS 515 16.733 -3.335 -4.193 328 HB2 LYS 515 HB2 LYS 515 15.798 -6.140 -4.740 329 HB3 LYS 515 HB1 LYS 515 16.351 -5.083 -6.027 330 HG2 LYS 515 HG2 LYS 515 18.193 -6.418 -5.446 331 HG3 LYS 515 HG1 LYS 515 18.503 -4.835 -4.740 332 HD2 LYS 515 HD2 LYS 515 17.682 -5.676 -2.568 333 HD3 LYS 515 HD1 LYS 515 17.461 -7.269 -3.294 334 HE2 LYS 515 HE2 LYS 515 19.551 -7.239 -2.103 335 HE3 LYS 515 HE1 LYS 515 19.881 -7.307 -3.833 336 HZ1 LYS 515 HZ1 LYS 515 21.327 -5.723 -2.745 337 HZ2 LYS 515 HZ2 LYS 515 20.000 -4.874 -2.135 338 HZ3 LYS 515 HZ3 LYS 515 20.282 -4.914 -3.798 339 H TYR 516 HN TYR 516 15.471 -1.676 -4.639 340 HA TYR 516 HA TYR 516 12.970 -2.195 -6.088 341 HB2 TYR 516 HB2 TYR 516 13.230 0.058 -4.090 342 HB3 TYR 516 HB1 TYR 516 11.769 -0.515 -4.889 343 HD1 TYR 516 HD1 TYR 516 10.895 -2.791 -4.285 344 HD2 TYR 516 HD2 TYR 516 13.901 -0.825 -2.018 345 HE1 TYR 516 HE1 TYR 516 10.364 -4.221 -2.357 346 HE2 TYR 516 HE2 TYR 516 13.388 -2.252 -0.085 347 HH TYR 516 HH TYR 516 11.302 -3.515 0.720 348 H LYS 517 HN LYS 517 12.541 -0.734 -7.730 349 HA LYS 517 HA LYS 517 14.754 1.009 -8.482 350 HB2 LYS 517 HB2 LYS 517 12.186 0.432 -9.983 351 HB3 LYS 517 HB1 LYS 517 13.574 1.301 -10.608 352 HG2 LYS 517 HG2 LYS 517 13.845 -0.756 -11.571 353 HG3 LYS 517 HG1 LYS 517 14.838 -0.922 -10.125 354 HD2 LYS 517 HD2 LYS 517 13.191 -2.201 -9.020 355 HD3 LYS 517 HD1 LYS 517 11.956 -1.774 -10.207 356 HE2 LYS 517 HE2 LYS 517 13.247 -3.009 -11.923 357 HE3 LYS 517 HE1 LYS 517 14.381 -3.505 -10.668 358 HZ1 LYS 517 HZ1 LYS 517 12.771 -4.810 -9.633 359 HZ2 LYS 517 HZ2 LYS 517 12.535 -5.114 -11.279 360 HZ3 LYS 517 HZ3 LYS 517 11.486 -4.072 -10.450 361 H ASP 518 HN ASP 518 14.363 3.245 -9.050 362 HA ASP 518 HA ASP 518 12.551 4.555 -7.240 363 HB2 ASP 518 HB2 ASP 518 13.467 6.657 -8.291 364 HB3 ASP 518 HB1 ASP 518 14.677 5.606 -7.566 365 H ASN 519 HN ASN 519 11.286 2.920 -9.062 366 HA ASN 519 HA ASN 519 9.171 4.491 -9.996 367 HB2 ASN 519 HB2 ASN 519 11.046 4.964 -11.733 368 HB3 ASN 519 HB1 ASN 519 10.762 3.317 -12.278 369 HD21 ASN 519 HD21 ASN 519 10.391 5.863 -13.653 370 HD22 ASN 519 HD22 ASN 519 8.734 5.902 -14.147 371 H GLU 520 HN GLU 520 9.590 2.252 -8.398 372 HA GLU 520 HA GLU 520 8.651 -0.014 -10.015 373 HB2 GLU 520 HB2 GLU 520 10.708 -0.433 -8.733 374 HB3 GLU 520 HB1 GLU 520 9.880 0.009 -7.249 375 HG2 GLU 520 HG2 GLU 520 10.034 -2.380 -7.399 376 HG3 GLU 520 HG1 GLU 520 8.349 -1.893 -7.563 377 H ALA 521 HN ALA 521 6.722 -0.900 -9.642 378 HA ALA 521 HA ALA 521 5.171 -0.010 -7.325 379 HB1 ALA 521 HB1 ALA 521 3.212 0.418 -8.694 380 HB2 ALA 521 HB2 ALA 521 4.119 0.022 -10.154 381 HB3 ALA 521 HB3 ALA 521 4.550 1.445 -9.206 382 H ILE 522 HN ILE 522 4.500 -1.654 -6.287 383 HA ILE 522 HA ILE 522 4.320 -4.259 -7.585 384 HB ILE 522 HB ILE 522 4.268 -3.438 -4.682 385 HG12 ILE 522 HG12 ILE 522 6.374 -4.990 -6.190 386 HG13 ILE 522 HG11 ILE 522 6.434 -3.253 -5.951 387 HG21 ILE 522 HG21 ILE 522 4.427 -5.828 -4.171 388 HG22 ILE 522 HG22 ILE 522 4.279 -6.203 -5.886 389 HG23 ILE 522 HG23 ILE 522 2.933 -5.454 -5.030 390 HD11 ILE 522 HD11 ILE 522 6.296 -5.222 -3.693 391 HD12 ILE 522 HD12 ILE 522 6.657 -3.498 -3.602 392 HD13 ILE 522 HD13 ILE 522 7.806 -4.603 -4.359 393 H GLU 523 HN GLU 523 2.392 -4.527 -8.539 394 HA GLU 523 HA GLU 523 -0.066 -3.449 -7.545 395 HB2 GLU 523 HB2 GLU 523 0.100 -3.803 -9.884 396 HB3 GLU 523 HB1 GLU 523 0.598 -5.472 -9.688 397 HG2 GLU 523 HG2 GLU 523 -1.695 -5.804 -8.584 398 HG3 GLU 523 HG1 GLU 523 -2.106 -4.240 -9.285 399 H PHE 524 HN PHE 524 -1.352 -4.276 -6.021 400 HA PHE 524 HA PHE 524 -1.468 -7.156 -5.568 401 HB2 PHE 524 HB2 PHE 524 -1.191 -6.955 -3.146 402 HB3 PHE 524 HB1 PHE 524 0.245 -6.355 -3.969 403 HD1 PHE 524 HD2 PHE 524 0.579 -3.878 -4.166 404 HD2 PHE 524 HD1 PHE 524 -2.424 -5.584 -1.678 405 HE1 PHE 524 HE2 PHE 524 0.396 -1.757 -2.939 406 HE2 PHE 524 HE1 PHE 524 -2.609 -3.463 -0.447 407 HZ PHE 524 HZ PHE 524 -1.165 -1.601 -0.981 408 H SER 525 HN SER 525 -3.464 -7.837 -4.780 409 HA SER 525 HA SER 525 -5.564 -5.828 -4.832 410 HB2 SER 525 HB2 SER 525 -7.075 -7.836 -4.624 411 HB3 SER 525 HB1 SER 525 -6.042 -7.845 -6.052 412 HG SER 525 HG SER 525 -5.721 -9.313 -3.646 413 H PHE 526 HN PHE 526 -7.038 -5.497 -3.067 414 HA PHE 526 HA PHE 526 -6.021 -6.509 -0.496 415 HB2 PHE 526 HB2 PHE 526 -5.330 -4.100 -0.995 416 HB3 PHE 526 HB1 PHE 526 -7.035 -3.691 -0.866 417 HD1 PHE 526 HD1 PHE 526 -8.197 -3.884 1.272 418 HD2 PHE 526 HD2 PHE 526 -4.020 -4.590 0.943 419 HE1 PHE 526 HE1 PHE 526 -7.975 -3.681 3.710 420 HE2 PHE 526 HE2 PHE 526 -3.789 -4.393 3.387 421 HZ PHE 526 HZ PHE 526 -5.732 -3.899 4.766 422 H ASP 527 HN ASP 527 -7.545 -7.701 0.367 423 HA ASP 527 HA ASP 527 -10.350 -7.132 -0.074 424 HB2 ASP 527 HB2 ASP 527 -9.369 -9.470 0.132 425 HB3 ASP 527 HB1 ASP 527 -9.161 -9.143 1.846 426 H LEU 528 HN LEU 528 -11.247 -5.542 1.005 427 HA LEU 528 HA LEU 528 -9.959 -4.234 3.153 428 HB2 LEU 528 HB2 LEU 528 -12.739 -3.921 2.029 429 HB3 LEU 528 HB1 LEU 528 -11.966 -2.799 3.128 430 HG LEU 528 HG LEU 528 -10.836 -3.466 0.412 431 HD11 LEU 528 HD11 LEU 528 -12.527 -1.098 1.187 432 HD12 LEU 528 HD12 LEU 528 -13.078 -2.461 0.210 433 HD13 LEU 528 HD13 LEU 528 -11.797 -1.405 -0.390 434 HD21 LEU 528 HD21 LEU 528 -9.288 -2.548 2.117 435 HD22 LEU 528 HD22 LEU 528 -10.324 -1.125 2.234 436 HD23 LEU 528 HD23 LEU 528 -9.504 -1.499 0.717 437 H GLU 529 HN GLU 529 -11.923 -6.970 3.157 438 HA GLU 529 HA GLU 529 -12.723 -6.482 5.944 439 HB2 GLU 529 HB2 GLU 529 -13.742 -8.447 3.900 440 HB3 GLU 529 HB1 GLU 529 -14.132 -8.572 5.609 441 HG2 GLU 529 HG2 GLU 529 -14.937 -6.120 5.326 442 HG3 GLU 529 HG1 GLU 529 -14.979 -6.526 3.614 443 H ARG 530 HN ARG 530 -11.271 -8.945 3.846 444 HA ARG 530 HA ARG 530 -10.509 -10.554 6.124 445 HB2 ARG 530 HB2 ARG 530 -10.263 -10.867 3.147 446 HB3 ARG 530 HB1 ARG 530 -9.531 -12.001 4.264 447 HG2 ARG 530 HG2 ARG 530 -12.459 -11.333 4.202 448 HG3 ARG 530 HG1 ARG 530 -11.728 -12.722 3.395 449 HD2 ARG 530 HD2 ARG 530 -10.920 -13.539 5.551 450 HD3 ARG 530 HD1 ARG 530 -11.659 -12.159 6.354 451 HE ARG 530 HE ARG 530 -13.805 -13.142 5.279 452 HH11 ARG 530 HH11 ARG 530 -11.113 -14.967 6.572 453 HH12 ARG 530 HH12 ARG 530 -12.090 -16.319 7.048 454 HH21 ARG 530 HH21 ARG 530 -15.101 -14.921 5.914 455 HH22 ARG 530 HH22 ARG 530 -14.359 -16.283 6.691 456 H ASP 531 HN ASP 531 -8.816 -8.789 3.535 457 HA ASP 531 HA ASP 531 -6.259 -9.700 4.420 458 HB2 ASP 531 HB2 ASP 531 -7.111 -7.673 2.371 459 HB3 ASP 531 HB1 ASP 531 -5.419 -7.873 2.811 460 H VAL 532 HN VAL 532 -4.635 -8.581 5.390 461 HA VAL 532 HA VAL 532 -5.378 -6.055 6.705 462 HB VAL 532 HB VAL 532 -3.691 -8.334 7.770 463 HG11 VAL 532 HG11 VAL 532 -2.645 -6.181 8.340 464 HG12 VAL 532 HG12 VAL 532 -3.288 -7.008 9.759 465 HG13 VAL 532 HG13 VAL 532 -4.167 -5.650 9.058 466 HG21 VAL 532 HG21 VAL 532 -6.066 -8.679 8.019 467 HG22 VAL 532 HG22 VAL 532 -6.250 -7.076 8.733 468 HG23 VAL 532 HG23 VAL 532 -5.351 -8.327 9.592 469 HA PRO 533 HA PRO 533 -2.088 -4.205 4.401 470 HB2 PRO 533 HB2 PRO 533 -1.487 -2.785 6.960 471 HB3 PRO 533 HB1 PRO 533 -1.690 -2.125 5.337 472 HG2 PRO 533 HG2 PRO 533 -3.645 -1.874 7.083 473 HG3 PRO 533 HG1 PRO 533 -4.008 -2.345 5.419 474 HD2 PRO 533 HD2 PRO 533 -3.876 -4.046 7.874 475 HD3 PRO 533 HD1 PRO 533 -5.057 -4.086 6.550 476 H GLU 534 HN GLU 534 -1.143 -4.901 7.785 477 HA GLU 534 HA GLU 534 1.551 -5.412 7.271 478 HB2 GLU 534 HB2 GLU 534 -0.240 -6.468 9.450 479 HB3 GLU 534 HB1 GLU 534 1.502 -6.668 9.422 480 HG2 GLU 534 HG2 GLU 534 1.347 -4.833 10.738 481 HG3 GLU 534 HG1 GLU 534 1.470 -4.058 9.167 482 H ASP 535 HN ASP 535 -1.259 -7.431 6.878 483 HA ASP 535 HA ASP 535 0.124 -9.925 6.752 484 HB2 ASP 535 HB2 ASP 535 -2.291 -9.764 7.263 485 HB3 ASP 535 HB1 ASP 535 -2.585 -9.169 5.635 486 H VAL 536 HN VAL 536 -1.156 -7.669 4.351 487 HA VAL 536 HA VAL 536 -0.333 -9.114 2.071 488 HB VAL 536 HB VAL 536 -0.770 -6.135 2.379 489 HG11 VAL 536 HG11 VAL 536 -0.685 -7.812 -0.129 490 HG12 VAL 536 HG12 VAL 536 0.579 -6.703 0.400 491 HG13 VAL 536 HG13 VAL 536 -1.014 -6.082 -0.037 492 HG21 VAL 536 HG21 VAL 536 -2.976 -6.576 1.438 493 HG22 VAL 536 HG22 VAL 536 -2.740 -7.472 2.944 494 HG23 VAL 536 HG23 VAL 536 -2.618 -8.302 1.388 495 H ALA 537 HN ALA 537 1.273 -6.676 4.062 496 HA ALA 537 HA ALA 537 3.533 -6.402 2.386 497 HB1 ALA 537 HB1 ALA 537 2.924 -4.783 4.145 498 HB2 ALA 537 HB2 ALA 537 4.606 -5.306 4.236 499 HB3 ALA 537 HB3 ALA 537 3.415 -5.962 5.362 500 H GLN 538 HN GLN 538 2.520 -8.958 4.406 501 HA GLN 538 HA GLN 538 5.178 -10.070 4.714 502 HB2 GLN 538 HB2 GLN 538 2.436 -10.968 5.511 503 HB3 GLN 538 HB1 GLN 538 3.753 -12.130 5.465 504 HG2 GLN 538 HG2 GLN 538 3.739 -9.582 7.063 505 HG3 GLN 538 HG1 GLN 538 3.386 -11.185 7.701 506 HE21 GLN 538 HE21 GLN 538 5.415 -12.501 6.099 507 HE22 GLN 538 HE22 GLN 538 6.946 -12.075 6.790 508 H GLU 539 HN GLU 539 2.262 -10.723 2.776 509 HA GLU 539 HA GLU 539 3.423 -12.892 1.366 510 HB2 GLU 539 HB2 GLU 539 1.587 -12.591 -0.265 511 HB3 GLU 539 HB1 GLU 539 1.012 -12.648 1.389 512 HG2 GLU 539 HG2 GLU 539 -0.198 -10.880 0.815 513 HG3 GLU 539 HG1 GLU 539 1.302 -9.976 1.008 514 H MET 540 HN MET 540 3.466 -9.439 0.960 515 HA MET 540 HA MET 540 4.785 -9.200 -1.479 516 HB2 MET 540 HB2 MET 540 4.916 -7.603 1.056 517 HB3 MET 540 HB1 MET 540 5.853 -7.161 -0.365 518 HG2 MET 540 HG2 MET 540 3.799 -7.026 -1.671 519 HG3 MET 540 HG1 MET 540 2.869 -7.442 -0.233 520 HE1 MET 540 HE1 MET 540 2.212 -3.653 -1.117 521 HE2 MET 540 HE2 MET 540 1.458 -5.236 -0.908 522 HE3 MET 540 HE3 MET 540 2.605 -4.975 -2.220 523 H VAL 541 HN VAL 541 6.073 -9.738 1.766 524 HA VAL 541 HA VAL 541 8.806 -9.781 1.064 525 HB VAL 541 HB VAL 541 7.383 -11.044 3.415 526 HG11 VAL 541 HG11 VAL 541 9.523 -11.257 4.486 527 HG12 VAL 541 HG12 VAL 541 10.335 -10.503 3.116 528 HG13 VAL 541 HG13 VAL 541 9.588 -12.091 2.935 529 HG21 VAL 541 HG21 VAL 541 8.932 -8.468 3.190 530 HG22 VAL 541 HG22 VAL 541 8.178 -9.105 4.652 531 HG23 VAL 541 HG23 VAL 541 7.177 -8.611 3.287 532 H GLU 542 HN GLU 542 6.462 -12.402 1.597 533 HA GLU 542 HA GLU 542 8.234 -14.528 1.208 534 HB2 GLU 542 HB2 GLU 542 5.273 -14.431 0.628 535 HB3 GLU 542 HB1 GLU 542 6.233 -15.893 0.790 536 HG2 GLU 542 HG2 GLU 542 6.753 -15.262 3.116 537 HG3 GLU 542 HG1 GLU 542 5.703 -13.856 2.944 538 H SER 543 HN SER 543 6.387 -12.635 -1.108 539 HA SER 543 HA SER 543 7.036 -14.386 -3.288 540 HB2 SER 543 HB2 SER 543 5.844 -11.610 -3.350 541 HB3 SER 543 HB1 SER 543 5.854 -12.771 -4.678 542 HG SER 543 HG SER 543 4.248 -12.641 -2.436 543 H GLY 544 HN GLY 544 8.835 -12.182 -1.613 544 HA2 GLY 544 HA2 GLY 544 11.096 -11.778 -2.055 545 HA3 GLY 544 HA1 GLY 544 10.825 -12.211 -3.732 546 H TYR 545 HN TYR 545 8.436 -10.091 -2.951 547 HA TYR 545 HA TYR 545 9.589 -7.981 -4.485 548 HB2 TYR 545 HB2 TYR 545 7.061 -8.153 -2.846 549 HB3 TYR 545 HB1 TYR 545 7.512 -6.727 -3.766 550 HD1 TYR 545 HD2 TYR 545 8.019 -7.162 -6.319 551 HD2 TYR 545 HD1 TYR 545 5.734 -9.743 -3.833 552 HE1 TYR 545 HE2 TYR 545 6.945 -8.123 -8.313 553 HE2 TYR 545 HE1 TYR 545 4.656 -10.713 -5.817 554 HH TYR 545 HH TYR 545 5.791 -10.174 -8.976 555 H VAL 546 HN VAL 546 8.445 -8.055 -1.126 556 HA VAL 546 HA VAL 546 10.183 -5.769 -0.536 557 HB VAL 546 HB VAL 546 7.867 -6.913 1.047 558 HG11 VAL 546 HG11 VAL 546 8.071 -5.027 2.514 559 HG12 VAL 546 HG12 VAL 546 9.387 -4.359 1.549 560 HG13 VAL 546 HG13 VAL 546 9.626 -5.857 2.450 561 HG21 VAL 546 HG21 VAL 546 7.233 -5.796 -1.066 562 HG22 VAL 546 HG22 VAL 546 8.057 -4.338 -0.512 563 HG23 VAL 546 HG23 VAL 546 6.649 -4.941 0.361 564 H CYS 547 HN CYS 547 11.632 -5.826 1.181 565 HA CYS 547 HA CYS 547 12.405 -8.476 2.110 566 HB2 CYS 547 HB2 CYS 547 14.113 -6.823 1.304 567 HB3 CYS 547 HB1 CYS 547 13.697 -5.791 2.668 568 HG CYS 547 HG CYS 547 15.421 -8.711 2.640 569 H GLU 548 HN GLU 548 12.308 -9.082 4.284 570 HA GLU 548 HA GLU 548 9.938 -8.149 5.507 571 HB2 GLU 548 HB2 GLU 548 10.825 -10.498 5.535 572 HB3 GLU 548 HB1 GLU 548 11.993 -9.980 6.729 573 HG2 GLU 548 HG2 GLU 548 10.267 -9.476 8.305 574 HG3 GLU 548 HG1 GLU 548 9.018 -9.758 7.091 575 H GLY 549 HN GLY 549 13.116 -7.013 5.775 576 HA2 GLY 549 HA2 GLY 549 12.897 -6.004 8.463 577 HA3 GLY 549 HA1 GLY 549 14.141 -5.595 7.292 578 H ASP 550 HN ASP 550 11.799 -5.011 5.383 579 HA ASP 550 HA ASP 550 11.197 -2.317 6.416 580 HB2 ASP 550 HB2 ASP 550 11.557 -3.307 3.579 581 HB3 ASP 550 HB1 ASP 550 10.896 -1.727 3.972 582 H HIS 551 HN HIS 551 9.821 -4.860 6.848 583 HA HIS 551 HA HIS 551 7.528 -5.161 5.255 584 HB2 HIS 551 HB2 HIS 551 8.180 -6.995 6.594 585 HB3 HIS 551 HB1 HIS 551 8.269 -6.017 8.050 586 HD1 HIS 551 HD1 HIS 551 6.264 -6.020 9.532 587 HD2 HIS 551 HD2 HIS 551 5.439 -7.539 5.751 588 HE1 HIS 551 HE1 HIS 551 3.921 -6.915 9.659 589 HE2 HIS 551 HE2 HIS 551 3.413 -7.767 7.346 590 H LYS 552 HN LYS 552 8.048 -3.353 8.270 591 HA LYS 552 HA LYS 552 5.309 -2.717 8.663 592 HB2 LYS 552 HB2 LYS 552 7.023 -2.700 10.464 593 HB3 LYS 552 HB1 LYS 552 7.733 -1.270 9.734 594 HG2 LYS 552 HG2 LYS 552 5.725 -0.003 10.151 595 HG3 LYS 552 HG1 LYS 552 4.918 -1.441 10.780 596 HD2 LYS 552 HD2 LYS 552 7.372 -0.144 11.966 597 HD3 LYS 552 HD1 LYS 552 5.726 0.031 12.576 598 HE2 LYS 552 HE2 LYS 552 5.654 -2.441 12.889 599 HE3 LYS 552 HE1 LYS 552 7.358 -2.499 12.444 600 HZ1 LYS 552 HZ1 LYS 552 7.849 -1.050 14.324 601 HZ2 LYS 552 HZ2 LYS 552 7.095 -2.476 14.829 602 HZ3 LYS 552 HZ3 LYS 552 6.213 -1.037 14.757 603 H THR 553 HN THR 553 7.996 -1.033 7.136 604 HA THR 553 HA THR 553 6.819 1.442 6.667 605 HB THR 553 HB THR 553 8.759 -0.053 4.885 606 HG1 THR 553 HG1 THR 553 10.329 1.162 6.106 607 HG21 THR 553 HG21 THR 553 8.173 2.901 5.114 608 HG22 THR 553 HG22 THR 553 7.796 1.863 3.737 609 HG23 THR 553 HG23 THR 553 9.476 2.189 4.160 610 H MET 554 HN MET 554 6.730 -1.512 4.704 611 HA MET 554 HA MET 554 5.264 -0.394 2.556 612 HB2 MET 554 HB2 MET 554 5.461 -3.278 3.428 613 HB3 MET 554 HB1 MET 554 4.903 -2.707 1.861 614 HG2 MET 554 HG2 MET 554 7.661 -2.364 2.997 615 HG3 MET 554 HG1 MET 554 7.177 -3.494 1.736 616 HE1 MET 554 HE1 MET 554 9.392 -0.778 -0.063 617 HE2 MET 554 HE2 MET 554 9.265 -2.476 0.395 618 HE3 MET 554 HE3 MET 554 9.557 -1.248 1.628 619 H ALA 555 HN ALA 555 4.331 -2.350 5.344 620 HA ALA 555 HA ALA 555 1.610 -2.631 4.762 621 HB1 ALA 555 HB1 ALA 555 2.900 -2.473 7.490 622 HB2 ALA 555 HB2 ALA 555 2.835 -3.920 6.482 623 HB3 ALA 555 HB3 ALA 555 1.344 -3.211 7.102 624 H LYS 556 HN LYS 556 3.360 -0.077 6.445 625 HA LYS 556 HA LYS 556 1.095 1.337 7.356 626 HB2 LYS 556 HB2 LYS 556 3.375 1.663 8.239 627 HB3 LYS 556 HB1 LYS 556 3.861 2.373 6.703 628 HG2 LYS 556 HG2 LYS 556 3.415 4.106 8.327 629 HG3 LYS 556 HG1 LYS 556 2.231 4.164 7.022 630 HD2 LYS 556 HD2 LYS 556 1.091 4.483 9.115 631 HD3 LYS 556 HD1 LYS 556 0.646 2.910 8.460 632 HE2 LYS 556 HE2 LYS 556 2.287 1.844 9.946 633 HE3 LYS 556 HE1 LYS 556 2.697 3.425 10.612 634 HZ1 LYS 556 HZ1 LYS 556 1.138 2.214 12.021 635 HZ2 LYS 556 HZ2 LYS 556 0.017 2.150 10.757 636 HZ3 LYS 556 HZ3 LYS 556 0.446 3.640 11.430 637 H ALA 557 HN ALA 557 3.030 1.515 4.404 638 HA ALA 557 HA ALA 557 1.714 3.655 3.164 639 HB1 ALA 557 HB1 ALA 557 2.597 2.805 1.091 640 HB2 ALA 557 HB2 ALA 557 2.823 1.203 1.796 641 HB3 ALA 557 HB3 ALA 557 3.810 2.554 2.347 642 H ILE 558 HN ILE 558 1.092 0.192 3.105 643 HA ILE 558 HA ILE 558 -1.121 0.184 1.401 644 HB ILE 558 HB ILE 558 -0.573 -1.688 3.713 645 HG12 ILE 558 HG12 ILE 558 0.300 -1.884 0.830 646 HG13 ILE 558 HG11 ILE 558 1.342 -1.456 2.169 647 HG21 ILE 558 HG21 ILE 558 -2.210 -2.013 1.209 648 HG22 ILE 558 HG22 ILE 558 -2.806 -1.973 2.870 649 HG23 ILE 558 HG23 ILE 558 -1.805 -3.320 2.321 650 HD11 ILE 558 HD11 ILE 558 1.674 -3.752 1.560 651 HD12 ILE 558 HD12 ILE 558 -0.047 -4.083 1.752 652 HD13 ILE 558 HD13 ILE 558 0.933 -3.665 3.157 653 H LYS 559 HN LYS 559 -0.963 0.263 4.948 654 HA LYS 559 HA LYS 559 -3.728 0.322 5.404 655 HB2 LYS 559 HB2 LYS 559 -1.929 -0.177 7.096 656 HB3 LYS 559 HB1 LYS 559 -1.597 1.546 7.156 657 HG2 LYS 559 HG2 LYS 559 -3.723 2.032 8.071 658 HG3 LYS 559 HG1 LYS 559 -4.311 0.400 7.746 659 HD2 LYS 559 HD2 LYS 559 -2.050 1.038 9.639 660 HD3 LYS 559 HD1 LYS 559 -3.730 0.831 10.137 661 HE2 LYS 559 HE2 LYS 559 -3.720 -1.442 9.252 662 HE3 LYS 559 HE1 LYS 559 -2.052 -1.241 8.727 663 HZ1 LYS 559 HZ1 LYS 559 -3.057 -1.290 11.513 664 HZ2 LYS 559 HZ2 LYS 559 -1.475 -0.865 11.095 665 HZ3 LYS 559 HZ3 LYS 559 -2.045 -2.424 10.762 666 H ASP 560 HN ASP 560 -1.386 2.907 4.880 667 HA ASP 560 HA ASP 560 -3.055 5.033 5.680 668 HB2 ASP 560 HB2 ASP 560 -0.516 5.032 5.334 669 HB3 ASP 560 HB1 ASP 560 -0.877 5.281 3.632 670 H ARG 561 HN ARG 561 -2.601 3.411 2.578 671 HA ARG 561 HA ARG 561 -4.273 5.253 1.152 672 HB2 ARG 561 HB2 ARG 561 -2.567 3.932 -0.030 673 HB3 ARG 561 HB1 ARG 561 -3.415 2.456 0.393 674 HG2 ARG 561 HG2 ARG 561 -3.861 3.176 -1.919 675 HG3 ARG 561 HG1 ARG 561 -5.319 3.111 -0.926 676 HD2 ARG 561 HD2 ARG 561 -5.150 5.532 -0.557 677 HD3 ARG 561 HD1 ARG 561 -3.735 5.574 -1.592 678 HE ARG 561 HE ARG 561 -6.443 4.875 -2.527 679 HH11 ARG 561 HH11 ARG 561 -3.279 6.284 -3.074 680 HH12 ARG 561 HH12 ARG 561 -3.722 7.008 -4.588 681 HH21 ARG 561 HH21 ARG 561 -7.029 5.834 -4.503 682 HH22 ARG 561 HH22 ARG 561 -5.857 6.730 -5.415 683 H VAL 562 HN VAL 562 -4.659 2.013 2.505 684 HA VAL 562 HA VAL 562 -7.284 1.559 1.681 685 HB VAL 562 HB VAL 562 -5.816 0.533 4.115 686 HG11 VAL 562 HG11 VAL 562 -8.208 0.287 4.419 687 HG12 VAL 562 HG12 VAL 562 -7.462 -1.281 4.116 688 HG13 VAL 562 HG13 VAL 562 -8.351 -0.463 2.830 689 HG21 VAL 562 HG21 VAL 562 -6.309 -0.771 1.441 690 HG22 VAL 562 HG22 VAL 562 -5.333 -1.402 2.772 691 HG23 VAL 562 HG23 VAL 562 -4.807 0.041 1.897 692 H SER 563 HN SER 563 -5.982 3.426 4.319 693 HA SER 563 HA SER 563 -8.258 3.868 5.844 694 HB2 SER 563 HB2 SER 563 -5.951 4.646 6.401 695 HB3 SER 563 HB1 SER 563 -6.108 5.893 5.167 696 HG SER 563 HG SER 563 -6.828 6.989 6.826 697 H LEU 564 HN LEU 564 -7.097 5.706 3.007 698 HA LEU 564 HA LEU 564 -9.245 7.525 2.874 699 HB2 LEU 564 HB2 LEU 564 -7.465 6.477 0.672 700 HB3 LEU 564 HB1 LEU 564 -8.529 7.856 0.517 701 HG LEU 564 HG LEU 564 -6.142 7.666 2.354 702 HD11 LEU 564 HD11 LEU 564 -5.509 7.860 0.017 703 HD12 LEU 564 HD12 LEU 564 -5.189 9.372 0.867 704 HD13 LEU 564 HD13 LEU 564 -6.599 9.231 -0.183 705 HD21 LEU 564 HD21 LEU 564 -7.882 9.045 3.336 706 HD22 LEU 564 HD22 LEU 564 -8.043 9.946 1.830 707 HD23 LEU 564 HD23 LEU 564 -6.553 10.052 2.765 708 H ILE 565 HN ILE 565 -8.730 4.367 1.477 709 HA ILE 565 HA ILE 565 -10.998 4.309 -0.197 710 HB ILE 565 HB ILE 565 -9.292 2.122 0.960 711 HG12 ILE 565 HG12 ILE 565 -9.343 3.176 -1.852 712 HG13 ILE 565 HG11 ILE 565 -8.406 3.977 -0.604 713 HG21 ILE 565 HG21 ILE 565 -11.342 1.956 -1.249 714 HG22 ILE 565 HG22 ILE 565 -11.476 1.212 0.346 715 HG23 ILE 565 HG23 ILE 565 -10.228 0.673 -0.778 716 HD11 ILE 565 HD11 ILE 565 -7.154 1.921 -0.242 717 HD12 ILE 565 HD12 ILE 565 -7.017 2.514 -1.894 718 HD13 ILE 565 HD13 ILE 565 -8.074 1.149 -1.529 719 H LYS 566 HN LYS 566 -10.379 3.020 3.054 720 HA LYS 566 HA LYS 566 -12.952 1.896 3.381 721 HB2 LYS 566 HB2 LYS 566 -10.762 2.606 5.306 722 HB3 LYS 566 HB1 LYS 566 -12.315 2.007 5.873 723 HG2 LYS 566 HG2 LYS 566 -12.011 -0.013 4.506 724 HG3 LYS 566 HG1 LYS 566 -10.428 0.582 4.013 725 HD2 LYS 566 HD2 LYS 566 -9.640 0.510 6.292 726 HD3 LYS 566 HD1 LYS 566 -11.247 0.071 6.870 727 HE2 LYS 566 HE2 LYS 566 -11.126 -2.031 5.643 728 HE3 LYS 566 HE1 LYS 566 -9.539 -1.588 5.019 729 HZ1 LYS 566 HZ1 LYS 566 -10.226 -2.020 7.873 730 HZ2 LYS 566 HZ2 LYS 566 -8.704 -1.571 7.292 731 HZ3 LYS 566 HZ3 LYS 566 -9.347 -3.081 6.893 732 H ARG 567 HN ARG 567 -11.755 5.141 3.784 733 HA ARG 567 HA ARG 567 -13.703 6.180 5.474 734 HB2 ARG 567 HB2 ARG 567 -12.106 7.366 3.223 735 HB3 ARG 567 HB1 ARG 567 -13.255 8.316 4.135 736 HG2 ARG 567 HG2 ARG 567 -10.865 6.890 5.262 737 HG3 ARG 567 HG1 ARG 567 -11.003 8.625 4.975 738 HD2 ARG 567 HD2 ARG 567 -12.910 8.681 6.560 739 HD3 ARG 567 HD1 ARG 567 -12.628 6.978 6.907 740 HE ARG 567 HE ARG 567 -10.230 8.337 7.318 741 HH11 ARG 567 HH11 ARG 567 -13.450 8.206 8.678 742 HH12 ARG 567 HH12 ARG 567 -12.932 8.636 10.277 743 HH21 ARG 567 HH21 ARG 567 -9.540 8.917 9.424 744 HH22 ARG 567 HH22 ARG 567 -10.707 9.051 10.699 745 H LYS 568 HN LYS 568 -13.791 5.436 2.048 746 HA LYS 568 HA LYS 568 -16.358 6.661 1.617 747 HB2 LYS 568 HB2 LYS 568 -14.883 4.647 -0.092 748 HB3 LYS 568 HB1 LYS 568 -16.252 5.631 -0.597 749 HG2 LYS 568 HG2 LYS 568 -14.881 7.653 -0.209 750 HG3 LYS 568 HG1 LYS 568 -13.507 6.607 0.153 751 HD2 LYS 568 HD2 LYS 568 -13.786 5.597 -2.118 752 HD3 LYS 568 HD1 LYS 568 -15.003 6.831 -2.454 753 HE2 LYS 568 HE2 LYS 568 -12.890 7.555 -3.350 754 HE3 LYS 568 HE1 LYS 568 -13.305 8.570 -1.969 755 HZ1 LYS 568 HZ1 LYS 568 -11.834 7.176 -0.603 756 HZ2 LYS 568 HZ2 LYS 568 -11.003 7.949 -1.852 757 HZ3 LYS 568 HZ3 LYS 568 -11.387 6.300 -1.987 758 H ARG 569 HN ARG 569 -15.124 3.498 2.409 759 HA ARG 569 HA ARG 569 -17.552 2.067 2.094 760 HB2 ARG 569 HB2 ARG 569 -15.024 1.509 3.590 761 HB3 ARG 569 HB1 ARG 569 -16.406 0.415 3.634 762 HG2 ARG 569 HG2 ARG 569 -16.250 0.770 1.007 763 HG3 ARG 569 HG1 ARG 569 -14.559 1.050 1.424 764 HD2 ARG 569 HD2 ARG 569 -15.342 -1.309 0.849 765 HD3 ARG 569 HD1 ARG 569 -14.276 -1.088 2.231 766 HE ARG 569 HE ARG 569 -16.265 -1.313 3.644 767 HH11 ARG 569 HH11 ARG 569 -16.514 -2.441 0.329 768 HH12 ARG 569 HH12 ARG 569 -17.804 -3.551 0.679 769 HH21 ARG 569 HH21 ARG 569 -17.946 -2.790 4.093 770 HH22 ARG 569 HH22 ARG 569 -18.620 -3.737 2.804 771 H GLU 570 HN GLU 570 -16.043 3.811 4.744 772 HA GLU 570 HA GLU 570 -17.860 3.127 6.782 773 HB2 GLU 570 HB2 GLU 570 -16.134 5.561 6.385 774 HB3 GLU 570 HB1 GLU 570 -17.066 5.256 7.845 775 HG2 GLU 570 HG2 GLU 570 -14.936 3.444 6.744 776 HG3 GLU 570 HG1 GLU 570 -14.716 4.602 8.051 777 H GLN 571 HN GLN 571 -18.013 5.309 4.125 778 HA GLN 571 HA GLN 571 -19.723 6.441 3.177 779 HB2 GLN 571 HB2 GLN 571 -21.175 4.590 4.028 780 HB3 GLN 571 HB1 GLN 571 -21.461 5.555 5.469 781 HG2 GLN 571 HG2 GLN 571 -22.457 7.310 4.085 782 HG3 GLN 571 HG1 GLN 571 -22.190 6.317 2.652 783 HE21 GLN 571 HE21 GLN 571 -24.683 7.319 3.694 784 HE22 GLN 571 HE22 GLN 571 -25.666 5.938 4.030 785 H ARG 572 HN ARG 572 -19.905 6.746 6.654 786 HA ARG 572 HA ARG 572 -19.933 9.672 6.355 787 HB2 ARG 572 HB2 ARG 572 -21.869 8.758 7.570 788 HB3 ARG 572 HB1 ARG 572 -20.787 7.970 8.709 789 HG2 ARG 572 HG2 ARG 572 -19.969 10.162 9.440 790 HG3 ARG 572 HG1 ARG 572 -21.083 10.940 8.315 791 HD2 ARG 572 HD2 ARG 572 -22.013 10.933 10.557 792 HD3 ARG 572 HD1 ARG 572 -22.972 9.912 9.489 793 HE ARG 572 HE ARG 572 -20.996 8.396 10.862 794 HH11 ARG 572 HH11 ARG 572 -24.107 9.934 11.295 795 HH12 ARG 572 HH12 ARG 572 -24.610 8.852 12.553 796 HH21 ARG 572 HH21 ARG 572 -21.658 6.964 12.514 797 HH22 ARG 572 HH22 ARG 572 -23.219 7.159 13.244 Start of MODEL 12 1 H1 GLY 475 HT1 GLY 475 4.491 9.134 -4.172 2 H2 GLY 475 HT2 GLY 475 3.916 8.391 -5.576 3 H3 GLY 475 HT3 GLY 475 3.084 9.707 -4.922 4 HA2 GLY 475 HA1 GLY 475 5.810 9.780 -6.075 5 HA3 GLY 475 HA2 GLY 475 4.353 10.366 -6.866 6 H ALA 476 HN ALA 476 6.600 10.891 -4.219 7 HA ALA 476 HA ALA 476 5.472 13.574 -3.827 8 HB1 ALA 476 HB1 ALA 476 7.450 12.053 -2.131 9 HB2 ALA 476 HB2 ALA 476 5.727 12.231 -1.804 10 HB3 ALA 476 HB3 ALA 476 6.783 13.643 -1.764 11 H MET 477 HN MET 477 6.337 14.378 -5.795 12 HA MET 477 HA MET 477 9.033 14.245 -6.553 13 HB2 MET 477 HB2 MET 477 6.852 16.216 -7.214 14 HB3 MET 477 HB1 MET 477 8.469 16.356 -7.886 15 HG2 MET 477 HG2 MET 477 7.007 15.264 -9.457 16 HG3 MET 477 HG1 MET 477 8.236 14.137 -8.892 17 HE1 MET 477 HE1 MET 477 6.791 12.179 -9.951 18 HE2 MET 477 HE2 MET 477 5.517 13.299 -10.435 19 HE3 MET 477 HE3 MET 477 5.115 11.847 -9.519 20 H ASP 478 HN ASP 478 7.273 16.722 -4.725 21 HA ASP 478 HA ASP 478 9.608 18.280 -4.216 22 HB2 ASP 478 HB2 ASP 478 8.204 19.423 -2.517 23 HB3 ASP 478 HB1 ASP 478 7.460 19.369 -4.109 24 HA PRO 479 HA PRO 479 11.550 15.637 -1.246 25 HB2 PRO 479 HB2 PRO 479 12.714 18.221 -0.347 26 HB3 PRO 479 HB1 PRO 479 13.528 16.721 -0.812 27 HG2 PRO 479 HG2 PRO 479 13.530 18.804 -2.449 28 HG3 PRO 479 HG1 PRO 479 13.305 17.163 -3.086 29 HD2 PRO 479 HD2 PRO 479 11.265 19.299 -2.600 30 HD3 PRO 479 HD1 PRO 479 11.413 18.176 -3.962 31 H GLN 480 HN GLN 480 9.450 15.376 -0.132 32 HA GLN 480 HA GLN 480 9.583 16.695 2.502 33 HB2 GLN 480 HB2 GLN 480 7.129 16.363 2.676 34 HB3 GLN 480 HB1 GLN 480 7.585 17.447 1.370 35 HG2 GLN 480 HG2 GLN 480 6.282 16.230 0.058 36 HG3 GLN 480 HG1 GLN 480 7.503 14.966 0.160 37 HE21 GLN 480 HE21 GLN 480 4.614 14.781 -0.175 38 HE22 GLN 480 HE22 GLN 480 4.044 13.779 1.120 39 H GLU 481 HN GLU 481 9.953 13.875 0.811 40 HA GLU 481 HA GLU 481 9.989 11.662 1.247 41 HB2 GLU 481 HB2 GLU 481 11.674 12.484 2.903 42 HB3 GLU 481 HB1 GLU 481 10.402 12.500 4.119 43 HG2 GLU 481 HG2 GLU 481 10.076 10.085 3.772 44 HG3 GLU 481 HG1 GLU 481 11.411 10.093 2.620 45 H GLU 482 HN GLU 482 7.844 11.265 0.708 46 HA GLU 482 HA GLU 482 5.769 11.387 2.699 47 HB2 GLU 482 HB2 GLU 482 5.370 11.763 0.267 48 HB3 GLU 482 HB1 GLU 482 5.756 10.077 -0.031 49 HG2 GLU 482 HG2 GLU 482 3.367 10.410 -0.027 50 HG3 GLU 482 HG1 GLU 482 3.845 9.405 1.341 51 H THR 483 HN THR 483 7.383 10.014 4.065 52 HA THR 483 HA THR 483 7.716 8.129 5.246 53 HB THR 483 HB THR 483 5.505 6.891 3.615 54 HG1 THR 483 HG1 THR 483 4.440 8.435 4.669 55 HG21 THR 483 HG21 THR 483 6.638 6.172 6.320 56 HG22 THR 483 HG22 THR 483 6.876 5.258 4.832 57 HG23 THR 483 HG23 THR 483 5.263 5.390 5.539 58 H GLY 484 HN GLY 484 7.824 8.034 1.826 59 HA2 GLY 484 HA2 GLY 484 9.704 7.188 0.651 60 HA3 GLY 484 HA1 GLY 484 9.985 6.050 1.966 61 H VAL 485 HN VAL 485 6.786 6.067 1.530 62 HA VAL 485 HA VAL 485 6.718 4.212 -0.741 63 HB VAL 485 HB VAL 485 5.073 2.834 0.711 64 HG11 VAL 485 HG11 VAL 485 6.869 1.387 1.470 65 HG12 VAL 485 HG12 VAL 485 8.038 2.685 1.213 66 HG13 VAL 485 HG13 VAL 485 7.184 1.981 -0.161 67 HG21 VAL 485 HG21 VAL 485 5.688 2.821 3.098 68 HG22 VAL 485 HG22 VAL 485 4.982 4.351 2.566 69 HG23 VAL 485 HG23 VAL 485 6.725 4.219 2.803 70 H ARG 486 HN ARG 486 4.651 3.939 -1.662 71 HA ARG 486 HA ARG 486 2.396 5.335 -0.550 72 HB2 ARG 486 HB2 ARG 486 3.590 7.172 -1.596 73 HB3 ARG 486 HB1 ARG 486 3.604 6.322 -3.133 74 HG2 ARG 486 HG2 ARG 486 1.890 8.126 -2.929 75 HG3 ARG 486 HG1 ARG 486 1.245 6.538 -3.356 76 HD2 ARG 486 HD2 ARG 486 -0.047 7.805 -1.600 77 HD3 ARG 486 HD1 ARG 486 0.445 6.165 -1.157 78 HE ARG 486 HE ARG 486 2.411 7.970 -0.283 79 HH11 ARG 486 HH11 ARG 486 -0.917 7.162 0.368 80 HH12 ARG 486 HH12 ARG 486 -0.821 7.517 2.069 81 HH21 ARG 486 HH21 ARG 486 2.570 8.425 1.958 82 HH22 ARG 486 HH22 ARG 486 1.176 8.235 2.969 83 H VAL 487 HN VAL 487 0.565 4.465 -1.148 84 HA VAL 487 HA VAL 487 0.632 2.470 -3.302 85 HB VAL 487 HB VAL 487 -1.258 2.609 -0.952 86 HG11 VAL 487 HG11 VAL 487 -0.823 0.448 -3.010 87 HG12 VAL 487 HG12 VAL 487 -2.220 1.521 -2.920 88 HG13 VAL 487 HG13 VAL 487 -1.915 0.358 -1.628 89 HG21 VAL 487 HG21 VAL 487 1.024 2.149 -0.273 90 HG22 VAL 487 HG22 VAL 487 1.115 0.835 -1.451 91 HG23 VAL 487 HG23 VAL 487 0.008 0.719 -0.081 92 H GLU 488 HN GLU 488 -0.782 2.589 -4.921 93 HA GLU 488 HA GLU 488 -2.776 4.756 -4.862 94 HB2 GLU 488 HB2 GLU 488 -0.891 4.148 -7.148 95 HB3 GLU 488 HB1 GLU 488 -2.161 5.364 -7.161 96 HG2 GLU 488 HG2 GLU 488 -1.027 6.561 -5.356 97 HG3 GLU 488 HG1 GLU 488 0.251 5.348 -5.361 98 H LEU 489 HN LEU 489 -4.473 4.534 -6.443 99 HA LEU 489 HA LEU 489 -5.387 1.804 -6.545 100 HB2 LEU 489 HB2 LEU 489 -6.652 4.346 -7.554 101 HB3 LEU 489 HB1 LEU 489 -7.439 2.784 -7.481 102 HG LEU 489 HG LEU 489 -6.392 4.166 -5.018 103 HD11 LEU 489 HD11 LEU 489 -7.994 5.629 -6.129 104 HD12 LEU 489 HD12 LEU 489 -8.675 4.949 -4.652 105 HD13 LEU 489 HD13 LEU 489 -9.150 4.303 -6.223 106 HD21 LEU 489 HD21 LEU 489 -8.564 2.102 -5.350 107 HD22 LEU 489 HD22 LEU 489 -7.876 2.702 -3.837 108 HD23 LEU 489 HD23 LEU 489 -6.896 1.717 -4.929 109 H ALA 490 HN ALA 490 -5.365 0.488 -8.247 110 HA ALA 490 HA ALA 490 -4.219 1.333 -10.763 111 HB1 ALA 490 HB1 ALA 490 -5.469 -1.283 -9.941 112 HB2 ALA 490 HB2 ALA 490 -3.751 -0.897 -9.909 113 HB3 ALA 490 HB3 ALA 490 -4.604 -0.994 -11.448 114 H GLU 491 HN GLU 491 -7.255 1.190 -9.327 115 HA GLU 491 HA GLU 491 -8.620 1.721 -11.855 116 HB2 GLU 491 HB2 GLU 491 -10.488 0.273 -11.169 117 HB3 GLU 491 HB1 GLU 491 -9.001 -0.650 -11.348 118 HG2 GLU 491 HG2 GLU 491 -8.688 -0.404 -8.873 119 HG3 GLU 491 HG1 GLU 491 -10.329 0.227 -8.807 120 H GLU 492 HN GLU 492 -10.600 2.863 -11.543 121 HA GLU 492 HA GLU 492 -10.428 4.847 -9.532 122 HB2 GLU 492 HB2 GLU 492 -12.687 5.537 -10.473 123 HB3 GLU 492 HB1 GLU 492 -11.336 5.533 -11.596 124 HG2 GLU 492 HG2 GLU 492 -12.060 3.367 -12.459 125 HG3 GLU 492 HG1 GLU 492 -13.423 3.380 -11.341 126 H ASP 493 HN ASP 493 -10.976 4.588 -7.481 127 HA ASP 493 HA ASP 493 -12.477 2.384 -6.550 128 HB2 ASP 493 HB2 ASP 493 -10.978 3.229 -4.972 129 HB3 ASP 493 HB1 ASP 493 -11.482 4.894 -5.235 130 H ASP 494 HN ASP 494 -14.539 2.168 -5.925 131 HA ASP 494 HA ASP 494 -16.378 4.168 -7.027 132 HB2 ASP 494 HB2 ASP 494 -16.829 1.222 -6.489 133 HB3 ASP 494 HB1 ASP 494 -17.995 2.321 -7.214 134 H GLY 495 HN GLY 495 -15.281 2.758 -4.138 135 HA2 GLY 495 HA2 GLY 495 -15.974 3.795 -2.070 136 HA3 GLY 495 HA1 GLY 495 -17.590 3.916 -2.738 137 H GLU 496 HN GLU 496 -18.585 1.705 -3.302 138 HA GLU 496 HA GLU 496 -18.566 0.239 -0.841 139 HB2 GLU 496 HB2 GLU 496 -20.603 1.014 -2.200 140 HB3 GLU 496 HB1 GLU 496 -20.246 -0.337 -3.270 141 HG2 GLU 496 HG2 GLU 496 -20.533 -1.892 -1.490 142 HG3 GLU 496 HG1 GLU 496 -20.706 -0.581 -0.330 143 H LYS 497 HN LYS 497 -16.302 0.042 -2.745 144 HA LYS 497 HA LYS 497 -16.330 -2.601 -3.831 145 HB2 LYS 497 HB2 LYS 497 -13.977 -0.798 -3.267 146 HB3 LYS 497 HB1 LYS 497 -14.034 -2.148 -4.377 147 HG2 LYS 497 HG2 LYS 497 -15.754 -0.906 -5.687 148 HG3 LYS 497 HG1 LYS 497 -15.449 0.488 -4.643 149 HD2 LYS 497 HD2 LYS 497 -14.130 0.799 -6.589 150 HD3 LYS 497 HD1 LYS 497 -13.018 0.295 -5.317 151 HE2 LYS 497 HE2 LYS 497 -12.494 -0.851 -7.380 152 HE3 LYS 497 HE1 LYS 497 -13.110 -2.006 -6.200 153 HZ1 LYS 497 HZ1 LYS 497 -14.820 -0.754 -8.274 154 HZ2 LYS 497 HZ2 LYS 497 -15.184 -2.086 -7.293 155 HZ3 LYS 497 HZ3 LYS 497 -14.016 -2.227 -8.507 156 H ILE 498 HN ILE 498 -15.581 -4.451 -2.924 157 HA ILE 498 HA ILE 498 -14.776 -4.332 -0.123 158 HB ILE 498 HB ILE 498 -15.626 -6.649 -1.840 159 HG12 ILE 498 HG12 ILE 498 -17.394 -5.047 -1.223 160 HG13 ILE 498 HG11 ILE 498 -17.613 -6.614 -0.477 161 HG21 ILE 498 HG21 ILE 498 -15.611 -7.978 0.209 162 HG22 ILE 498 HG22 ILE 498 -14.954 -6.605 1.100 163 HG23 ILE 498 HG23 ILE 498 -13.997 -7.374 -0.167 164 HD11 ILE 498 HD11 ILE 498 -16.636 -5.729 1.605 165 HD12 ILE 498 HD12 ILE 498 -18.119 -4.909 1.118 166 HD13 ILE 498 HD13 ILE 498 -16.557 -4.140 0.841 167 H ALA 499 HN ALA 499 -13.715 -5.335 -3.280 168 HA ALA 499 HA ALA 499 -11.012 -5.662 -2.189 169 HB1 ALA 499 HB1 ALA 499 -12.351 -7.506 -4.146 170 HB2 ALA 499 HB2 ALA 499 -11.902 -7.874 -2.479 171 HB3 ALA 499 HB3 ALA 499 -10.644 -7.572 -3.687 172 H ILE 500 HN ILE 500 -9.638 -4.411 -3.158 173 HA ILE 500 HA ILE 500 -10.356 -3.282 -5.781 174 HB ILE 500 HB ILE 500 -9.225 -1.257 -5.118 175 HG12 ILE 500 HG12 ILE 500 -8.560 -2.787 -2.600 176 HG13 ILE 500 HG11 ILE 500 -7.435 -2.109 -3.766 177 HG21 ILE 500 HG21 ILE 500 -10.687 -0.553 -3.276 178 HG22 ILE 500 HG22 ILE 500 -11.103 -2.243 -2.989 179 HG23 ILE 500 HG23 ILE 500 -11.557 -1.468 -4.508 180 HD11 ILE 500 HD11 ILE 500 -8.088 0.127 -3.120 181 HD12 ILE 500 HD12 ILE 500 -7.533 -0.800 -1.725 182 HD13 ILE 500 HD13 ILE 500 -9.256 -0.533 -1.977 183 H LYS 501 HN LYS 501 -8.217 -2.178 -6.688 184 HA LYS 501 HA LYS 501 -6.033 -4.130 -6.475 185 HB2 LYS 501 HB2 LYS 501 -7.302 -4.428 -8.571 186 HB3 LYS 501 HB1 LYS 501 -7.000 -2.747 -8.984 187 HG2 LYS 501 HG2 LYS 501 -4.702 -3.136 -9.308 188 HG3 LYS 501 HG1 LYS 501 -4.784 -4.717 -8.532 189 HD2 LYS 501 HD2 LYS 501 -4.608 -4.913 -10.967 190 HD3 LYS 501 HD1 LYS 501 -6.125 -5.578 -10.371 191 HE2 LYS 501 HE2 LYS 501 -6.014 -2.748 -11.330 192 HE3 LYS 501 HE1 LYS 501 -6.089 -4.063 -12.498 193 HZ1 LYS 501 HZ1 LYS 501 -8.292 -3.318 -12.050 194 HZ2 LYS 501 HZ2 LYS 501 -8.081 -3.441 -10.377 195 HZ3 LYS 501 HZ3 LYS 501 -8.121 -4.838 -11.331 196 H LEU 502 HN LEU 502 -4.343 -3.194 -5.609 197 HA LEU 502 HA LEU 502 -3.904 -0.303 -6.021 198 HB2 LEU 502 HB2 LEU 502 -3.108 -2.086 -3.716 199 HB3 LEU 502 HB1 LEU 502 -2.703 -0.389 -3.859 200 HG LEU 502 HG LEU 502 -5.561 -1.316 -3.792 201 HD11 LEU 502 HD11 LEU 502 -3.791 -0.612 -1.457 202 HD12 LEU 502 HD12 LEU 502 -4.480 -2.198 -1.802 203 HD13 LEU 502 HD13 LEU 502 -5.534 -0.849 -1.384 204 HD21 LEU 502 HD21 LEU 502 -5.022 0.992 -4.552 205 HD22 LEU 502 HD22 LEU 502 -4.283 1.294 -2.979 206 HD23 LEU 502 HD23 LEU 502 -6.006 0.935 -3.090 207 H TRP 503 HN TRP 503 -1.689 0.396 -6.229 208 HA TRP 503 HA TRP 503 0.252 -1.772 -6.677 209 HB2 TRP 503 HB2 TRP 503 0.100 0.925 -8.017 210 HB3 TRP 503 HB1 TRP 503 1.516 -0.108 -8.087 211 HD1 TRP 503 HD1 TRP 503 -2.230 -0.433 -8.934 212 HE1 TRP 503 HE1 TRP 503 -2.456 -1.719 -11.156 213 HE3 TRP 503 HE3 TRP 503 2.678 -1.547 -9.717 214 HZ2 TRP 503 HZ2 TRP 503 -0.770 -3.041 -12.974 215 HZ3 TRP 503 HZ3 TRP 503 3.285 -2.844 -11.709 216 HH2 TRP 503 HH2 TRP 503 1.601 -3.579 -13.302 217 H LEU 504 HN LEU 504 1.672 -1.884 -5.089 218 HA LEU 504 HA LEU 504 2.163 0.286 -3.280 219 HB2 LEU 504 HB2 LEU 504 2.273 -2.017 -2.517 220 HB3 LEU 504 HB1 LEU 504 3.543 -2.363 -3.661 221 HG LEU 504 HG LEU 504 4.987 -0.708 -2.432 222 HD11 LEU 504 HD11 LEU 504 3.258 0.558 -1.309 223 HD12 LEU 504 HD12 LEU 504 4.339 -0.176 -0.123 224 HD13 LEU 504 HD13 LEU 504 2.749 -0.878 -0.422 225 HD21 LEU 504 HD21 LEU 504 3.979 -3.081 -0.872 226 HD22 LEU 504 HD22 LEU 504 5.529 -2.270 -0.645 227 HD23 LEU 504 HD23 LEU 504 5.193 -3.129 -2.149 228 H ARG 505 HN ARG 505 3.239 1.998 -3.991 229 HA ARG 505 HA ARG 505 5.555 1.570 -5.739 230 HB2 ARG 505 HB2 ARG 505 3.632 3.859 -5.489 231 HB3 ARG 505 HB1 ARG 505 5.185 4.020 -6.299 232 HG2 ARG 505 HG2 ARG 505 4.578 2.189 -7.805 233 HG3 ARG 505 HG1 ARG 505 3.014 2.069 -7.008 234 HD2 ARG 505 HD2 ARG 505 2.478 4.335 -7.715 235 HD3 ARG 505 HD1 ARG 505 4.057 4.468 -8.489 236 HE ARG 505 HE ARG 505 3.321 2.605 -9.959 237 HH11 ARG 505 HH11 ARG 505 0.952 4.717 -8.467 238 HH12 ARG 505 HH12 ARG 505 -0.311 4.274 -9.579 239 HH21 ARG 505 HH21 ARG 505 1.667 2.053 -11.421 240 HH22 ARG 505 HH22 ARG 505 0.095 2.766 -11.257 241 H ILE 506 HN ILE 506 7.419 2.855 -5.383 242 HA ILE 506 HA ILE 506 7.772 3.394 -2.518 243 HB ILE 506 HB ILE 506 10.008 3.056 -4.502 244 HG12 ILE 506 HG12 ILE 506 8.618 1.036 -4.653 245 HG13 ILE 506 HG11 ILE 506 10.142 0.687 -3.847 246 HG21 ILE 506 HG21 ILE 506 9.786 2.811 -1.519 247 HG22 ILE 506 HG22 ILE 506 10.673 4.027 -2.440 248 HG23 ILE 506 HG23 ILE 506 11.214 2.346 -2.442 249 HD11 ILE 506 HD11 ILE 506 8.307 -0.453 -2.760 250 HD12 ILE 506 HD12 ILE 506 7.475 1.085 -2.510 251 HD13 ILE 506 HD13 ILE 506 9.000 0.763 -1.684 252 H GLU 507 HN GLU 507 8.047 5.406 -1.844 253 HA GLU 507 HA GLU 507 8.246 7.596 -3.685 254 HB2 GLU 507 HB2 GLU 507 8.370 7.553 -0.662 255 HB3 GLU 507 HB1 GLU 507 8.162 8.979 -1.663 256 HG2 GLU 507 HG2 GLU 507 6.251 6.685 -1.465 257 HG3 GLU 507 HG1 GLU 507 6.085 8.227 -0.635 258 H ASP 508 HN ASP 508 10.301 5.967 -1.354 259 HA ASP 508 HA ASP 508 12.643 7.332 -2.439 260 HB2 ASP 508 HB2 ASP 508 11.693 8.531 -0.350 261 HB3 ASP 508 HB1 ASP 508 12.280 7.130 0.541 262 H ILE 509 HN ILE 509 13.494 5.495 -3.261 263 HA ILE 509 HA ILE 509 13.340 2.997 -1.910 264 HB ILE 509 HB ILE 509 14.773 2.166 -3.750 265 HG12 ILE 509 HG12 ILE 509 14.798 4.034 -5.686 266 HG13 ILE 509 HG11 ILE 509 15.018 5.067 -4.277 267 HG21 ILE 509 HG21 ILE 509 12.407 2.096 -4.012 268 HG22 ILE 509 HG22 ILE 509 13.117 2.598 -5.546 269 HG23 ILE 509 HG23 ILE 509 12.362 3.793 -4.489 270 HD11 ILE 509 HD11 ILE 509 16.736 2.722 -5.034 271 HD12 ILE 509 HD12 ILE 509 16.953 3.749 -3.617 272 HD13 ILE 509 HD13 ILE 509 17.145 4.425 -5.236 273 H LYS 510 HN LYS 510 15.313 5.609 -1.357 274 HA LYS 510 HA LYS 510 17.695 4.066 -0.730 275 HB2 LYS 510 HB2 LYS 510 17.096 7.016 -0.557 276 HB3 LYS 510 HB1 LYS 510 18.638 6.295 -0.142 277 HG2 LYS 510 HG2 LYS 510 17.352 6.181 -2.858 278 HG3 LYS 510 HG1 LYS 510 18.632 7.297 -2.380 279 HD2 LYS 510 HD2 LYS 510 20.116 5.397 -1.940 280 HD3 LYS 510 HD1 LYS 510 18.834 4.284 -2.422 281 HE2 LYS 510 HE2 LYS 510 18.822 5.304 -4.660 282 HE3 LYS 510 HE1 LYS 510 20.140 6.366 -4.170 283 HZ1 LYS 510 HZ1 LYS 510 20.888 4.408 -5.424 284 HZ2 LYS 510 HZ2 LYS 510 20.292 3.400 -4.203 285 HZ3 LYS 510 HZ3 LYS 510 21.555 4.472 -3.872 286 H LYS 511 HN LYS 511 14.881 5.236 0.827 287 HA LYS 511 HA LYS 511 16.053 5.295 3.464 288 HB2 LYS 511 HB2 LYS 511 13.164 5.475 2.602 289 HB3 LYS 511 HB1 LYS 511 13.796 5.842 4.193 290 HG2 LYS 511 HG2 LYS 511 14.546 7.300 1.683 291 HG3 LYS 511 HG1 LYS 511 13.338 7.850 2.844 292 HD2 LYS 511 HD2 LYS 511 14.944 8.245 4.494 293 HD3 LYS 511 HD1 LYS 511 16.154 7.249 3.685 294 HE2 LYS 511 HE2 LYS 511 16.580 9.691 3.505 295 HE3 LYS 511 HE1 LYS 511 16.430 8.875 1.953 296 HZ1 LYS 511 HZ1 LYS 511 14.284 9.758 1.637 297 HZ2 LYS 511 HZ2 LYS 511 15.239 11.052 2.167 298 HZ3 LYS 511 HZ3 LYS 511 14.170 10.297 3.243 299 H LEU 512 HN LEU 512 14.898 2.977 1.369 300 HA LEU 512 HA LEU 512 13.996 1.141 3.455 301 HB2 LEU 512 HB2 LEU 512 14.169 0.698 0.476 302 HB3 LEU 512 HB1 LEU 512 13.269 -0.258 1.640 303 HG LEU 512 HG LEU 512 12.657 2.598 0.879 304 HD11 LEU 512 HD11 LEU 512 10.665 1.624 -0.165 305 HD12 LEU 512 HD12 LEU 512 11.292 0.012 0.183 306 HD13 LEU 512 HD13 LEU 512 12.163 1.079 -0.919 307 HD21 LEU 512 HD21 LEU 512 12.037 2.141 3.179 308 HD22 LEU 512 HD22 LEU 512 11.189 0.677 2.678 309 HD23 LEU 512 HD23 LEU 512 10.600 2.259 2.164 310 H LYS 513 HN LYS 513 14.859 -1.096 3.372 311 HA LYS 513 HA LYS 513 17.767 -1.035 3.003 312 HB2 LYS 513 HB2 LYS 513 17.069 -1.707 5.207 313 HB3 LYS 513 HB1 LYS 513 15.941 -2.882 4.550 314 HG2 LYS 513 HG2 LYS 513 18.014 -3.863 5.500 315 HG3 LYS 513 HG1 LYS 513 17.718 -4.288 3.813 316 HD2 LYS 513 HD2 LYS 513 19.285 -2.537 3.114 317 HD3 LYS 513 HD1 LYS 513 19.618 -2.164 4.808 318 HE2 LYS 513 HE2 LYS 513 20.446 -4.446 5.143 319 HE3 LYS 513 HE1 LYS 513 20.112 -4.815 3.454 320 HZ1 LYS 513 HZ1 LYS 513 22.067 -2.817 4.453 321 HZ2 LYS 513 HZ2 LYS 513 21.718 -3.104 2.824 322 HZ3 LYS 513 HZ3 LYS 513 22.431 -4.315 3.759 323 H GLY 514 HN GLY 514 14.862 -2.642 1.979 324 HA2 GLY 514 HA2 GLY 514 16.056 -4.742 0.511 325 HA3 GLY 514 HA1 GLY 514 14.427 -4.129 0.286 326 H LYS 515 HN LYS 515 15.710 -4.989 -1.878 327 HA LYS 515 HA LYS 515 16.967 -2.737 -3.233 328 HB2 LYS 515 HB2 LYS 515 17.280 -4.357 -5.095 329 HB3 LYS 515 HB1 LYS 515 17.987 -4.907 -3.583 330 HG2 LYS 515 HG2 LYS 515 16.098 -6.378 -3.206 331 HG3 LYS 515 HG1 LYS 515 15.324 -5.790 -4.674 332 HD2 LYS 515 HD2 LYS 515 17.181 -6.672 -6.001 333 HD3 LYS 515 HD1 LYS 515 17.950 -7.266 -4.527 334 HE2 LYS 515 HE2 LYS 515 16.768 -9.067 -5.645 335 HE3 LYS 515 HE1 LYS 515 16.006 -8.699 -4.101 336 HZ1 LYS 515 HZ1 LYS 515 15.053 -7.791 -6.764 337 HZ2 LYS 515 HZ2 LYS 515 14.323 -7.421 -5.284 338 HZ3 LYS 515 HZ3 LYS 515 14.364 -9.018 -5.829 339 H TYR 516 HN TYR 516 15.769 -1.297 -4.297 340 HA TYR 516 HA TYR 516 13.374 -2.214 -5.711 341 HB2 TYR 516 HB2 TYR 516 13.412 0.206 -3.887 342 HB3 TYR 516 HB1 TYR 516 12.052 -0.323 -4.876 343 HD1 TYR 516 HD1 TYR 516 11.062 -2.629 -4.380 344 HD2 TYR 516 HD2 TYR 516 13.707 -0.607 -1.739 345 HE1 TYR 516 HE1 TYR 516 10.354 -4.107 -2.551 346 HE2 TYR 516 HE2 TYR 516 13.009 -2.081 0.098 347 HH TYR 516 HH TYR 516 11.397 -4.930 -0.398 348 H LYS 517 HN LYS 517 12.486 -0.201 -6.979 349 HA LYS 517 HA LYS 517 14.789 1.085 -8.287 350 HB2 LYS 517 HB2 LYS 517 12.183 0.178 -9.533 351 HB3 LYS 517 HB1 LYS 517 13.469 1.028 -10.373 352 HG2 LYS 517 HG2 LYS 517 14.965 -0.852 -10.029 353 HG3 LYS 517 HG1 LYS 517 13.712 -1.699 -9.124 354 HD2 LYS 517 HD2 LYS 517 13.914 -2.449 -11.488 355 HD3 LYS 517 HD1 LYS 517 12.312 -1.834 -11.075 356 HE2 LYS 517 HE2 LYS 517 12.810 0.281 -12.121 357 HE3 LYS 517 HE1 LYS 517 14.469 -0.224 -12.437 358 HZ1 LYS 517 HZ1 LYS 517 12.030 -1.449 -13.606 359 HZ2 LYS 517 HZ2 LYS 517 13.618 -1.943 -13.909 360 HZ3 LYS 517 HZ3 LYS 517 13.099 -0.413 -14.407 361 H ASP 518 HN ASP 518 14.414 3.189 -9.161 362 HA ASP 518 HA ASP 518 12.675 4.800 -7.523 363 HB2 ASP 518 HB2 ASP 518 14.972 5.513 -8.183 364 HB3 ASP 518 HB1 ASP 518 14.421 5.635 -9.849 365 H ASN 519 HN ASN 519 11.324 2.979 -9.057 366 HA ASN 519 HA ASN 519 9.192 4.388 -10.117 367 HB2 ASN 519 HB2 ASN 519 10.867 4.842 -11.986 368 HB3 ASN 519 HB1 ASN 519 10.846 3.113 -12.316 369 HD21 ASN 519 HD21 ASN 519 10.007 3.352 -14.361 370 HD22 ASN 519 HD22 ASN 519 8.377 3.844 -14.657 371 H GLU 520 HN GLU 520 9.524 2.425 -8.325 372 HA GLU 520 HA GLU 520 9.005 -0.143 -9.648 373 HB2 GLU 520 HB2 GLU 520 10.932 0.005 -8.075 374 HB3 GLU 520 HB1 GLU 520 9.812 0.411 -6.785 375 HG2 GLU 520 HG2 GLU 520 10.389 -1.905 -6.627 376 HG3 GLU 520 HG1 GLU 520 8.700 -1.768 -7.117 377 H ALA 521 HN ALA 521 7.161 -1.242 -9.272 378 HA ALA 521 HA ALA 521 5.305 -0.299 -7.237 379 HB1 ALA 521 HB1 ALA 521 4.456 -0.507 -10.120 380 HB2 ALA 521 HB2 ALA 521 4.817 1.008 -9.294 381 HB3 ALA 521 HB3 ALA 521 3.472 0.006 -8.747 382 H ILE 522 HN ILE 522 4.099 -1.816 -6.405 383 HA ILE 522 HA ILE 522 4.175 -4.488 -7.632 384 HB ILE 522 HB ILE 522 4.129 -3.725 -4.712 385 HG12 ILE 522 HG12 ILE 522 6.232 -5.316 -6.165 386 HG13 ILE 522 HG11 ILE 522 6.297 -3.566 -6.069 387 HG21 ILE 522 HG21 ILE 522 4.271 -6.136 -4.270 388 HG22 ILE 522 HG22 ILE 522 4.120 -6.452 -5.997 389 HG23 ILE 522 HG23 ILE 522 2.780 -5.718 -5.117 390 HD11 ILE 522 HD11 ILE 522 7.668 -4.797 -4.378 391 HD12 ILE 522 HD12 ILE 522 6.153 -5.335 -3.651 392 HD13 ILE 522 HD13 ILE 522 6.540 -3.615 -3.717 393 H GLU 523 HN GLU 523 2.242 -4.645 -8.605 394 HA GLU 523 HA GLU 523 -0.180 -3.486 -7.614 395 HB2 GLU 523 HB2 GLU 523 0.060 -3.809 -9.962 396 HB3 GLU 523 HB1 GLU 523 0.413 -5.514 -9.770 397 HG2 GLU 523 HG2 GLU 523 -1.942 -5.704 -8.786 398 HG3 GLU 523 HG1 GLU 523 -2.203 -4.081 -9.432 399 H PHE 524 HN PHE 524 -1.618 -4.329 -6.231 400 HA PHE 524 HA PHE 524 -1.827 -7.191 -5.830 401 HB2 PHE 524 HB2 PHE 524 -1.493 -7.125 -3.426 402 HB3 PHE 524 HB1 PHE 524 -0.056 -6.507 -4.228 403 HD1 PHE 524 HD2 PHE 524 0.361 -4.027 -4.243 404 HD2 PHE 524 HD1 PHE 524 -2.704 -5.822 -1.895 405 HE1 PHE 524 HE2 PHE 524 0.246 -2.004 -2.851 406 HE2 PHE 524 HE1 PHE 524 -2.818 -3.802 -0.496 407 HZ PHE 524 HZ PHE 524 -1.339 -1.890 -0.971 408 H SER 525 HN SER 525 -3.855 -7.803 -5.183 409 HA SER 525 HA SER 525 -5.899 -5.762 -5.107 410 HB2 SER 525 HB2 SER 525 -6.197 -8.012 -6.252 411 HB3 SER 525 HB1 SER 525 -6.251 -8.734 -4.646 412 HG SER 525 HG SER 525 -7.971 -6.630 -5.438 413 H PHE 526 HN PHE 526 -7.213 -5.271 -3.307 414 HA PHE 526 HA PHE 526 -6.323 -6.470 -0.770 415 HB2 PHE 526 HB2 PHE 526 -5.398 -4.112 -1.179 416 HB3 PHE 526 HB1 PHE 526 -7.058 -3.556 -1.016 417 HD1 PHE 526 HD1 PHE 526 -8.204 -3.656 1.114 418 HD2 PHE 526 HD2 PHE 526 -4.168 -4.931 0.728 419 HE1 PHE 526 HE1 PHE 526 -7.960 -3.608 3.562 420 HE2 PHE 526 HE2 PHE 526 -3.917 -4.889 3.172 421 HZ PHE 526 HZ PHE 526 -5.816 -4.227 4.592 422 H ASP 527 HN ASP 527 -7.956 -7.503 0.100 423 HA ASP 527 HA ASP 527 -10.690 -6.623 -0.333 424 HB2 ASP 527 HB2 ASP 527 -9.938 -9.064 -0.186 425 HB3 ASP 527 HB1 ASP 527 -9.770 -8.798 1.543 426 H LEU 528 HN LEU 528 -11.386 -4.975 0.801 427 HA LEU 528 HA LEU 528 -9.943 -3.860 2.944 428 HB2 LEU 528 HB2 LEU 528 -12.753 -3.318 1.996 429 HB3 LEU 528 HB1 LEU 528 -11.829 -2.287 3.066 430 HG LEU 528 HG LEU 528 -10.953 -2.953 0.260 431 HD11 LEU 528 HD11 LEU 528 -13.085 -1.759 0.211 432 HD12 LEU 528 HD12 LEU 528 -11.761 -0.745 -0.367 433 HD13 LEU 528 HD13 LEU 528 -12.408 -0.511 1.258 434 HD21 LEU 528 HD21 LEU 528 -9.210 -2.231 1.880 435 HD22 LEU 528 HD22 LEU 528 -10.103 -0.727 2.100 436 HD23 LEU 528 HD23 LEU 528 -9.424 -1.129 0.522 437 H GLU 529 HN GLU 529 -12.355 -6.286 2.884 438 HA GLU 529 HA GLU 529 -13.101 -5.817 5.672 439 HB2 GLU 529 HB2 GLU 529 -14.203 -7.704 3.589 440 HB3 GLU 529 HB1 GLU 529 -14.806 -7.582 5.236 441 HG2 GLU 529 HG2 GLU 529 -14.736 -5.264 3.329 442 HG3 GLU 529 HG1 GLU 529 -16.109 -6.353 3.483 443 H ARG 530 HN ARG 530 -11.486 -8.186 3.616 444 HA ARG 530 HA ARG 530 -11.118 -9.968 5.904 445 HB2 ARG 530 HB2 ARG 530 -10.758 -10.305 2.939 446 HB3 ARG 530 HB1 ARG 530 -10.216 -11.502 4.094 447 HG2 ARG 530 HG2 ARG 530 -12.497 -11.785 4.899 448 HG3 ARG 530 HG1 ARG 530 -13.044 -10.545 3.770 449 HD2 ARG 530 HD2 ARG 530 -11.720 -13.139 2.986 450 HD3 ARG 530 HD1 ARG 530 -13.457 -12.841 2.955 451 HE ARG 530 HE ARG 530 -12.512 -10.846 1.418 452 HH11 ARG 530 HH11 ARG 530 -11.919 -14.302 1.387 453 HH12 ARG 530 HH12 ARG 530 -11.619 -14.359 -0.320 454 HH21 ARG 530 HH21 ARG 530 -12.137 -10.921 -0.816 455 HH22 ARG 530 HH22 ARG 530 -11.741 -12.437 -1.580 456 H ASP 531 HN ASP 531 -9.193 -8.238 3.465 457 HA ASP 531 HA ASP 531 -6.784 -9.546 4.269 458 HB2 ASP 531 HB2 ASP 531 -7.382 -7.359 2.310 459 HB3 ASP 531 HB1 ASP 531 -5.720 -7.755 2.735 460 H VAL 532 HN VAL 532 -5.008 -8.746 5.237 461 HA VAL 532 HA VAL 532 -5.342 -6.279 6.821 462 HB VAL 532 HB VAL 532 -3.880 -8.837 7.498 463 HG11 VAL 532 HG11 VAL 532 -3.315 -7.787 9.643 464 HG12 VAL 532 HG12 VAL 532 -3.987 -6.264 9.062 465 HG13 VAL 532 HG13 VAL 532 -2.566 -6.956 8.280 466 HG21 VAL 532 HG21 VAL 532 -5.440 -8.915 9.401 467 HG22 VAL 532 HG22 VAL 532 -6.245 -9.016 7.835 468 HG23 VAL 532 HG23 VAL 532 -6.267 -7.503 8.740 469 HA PRO 533 HA PRO 533 -2.139 -4.692 4.233 470 HB2 PRO 533 HB2 PRO 533 -1.550 -2.981 6.589 471 HB3 PRO 533 HB1 PRO 533 -1.910 -2.524 4.923 472 HG2 PRO 533 HG2 PRO 533 -3.732 -2.217 6.835 473 HG3 PRO 533 HG1 PRO 533 -4.197 -2.751 5.212 474 HD2 PRO 533 HD2 PRO 533 -3.903 -4.339 7.723 475 HD3 PRO 533 HD1 PRO 533 -5.112 -4.480 6.431 476 H GLU 534 HN GLU 534 -1.354 -5.321 7.635 477 HA GLU 534 HA GLU 534 1.434 -5.505 7.265 478 HB2 GLU 534 HB2 GLU 534 -0.411 -6.526 9.402 479 HB3 GLU 534 HB1 GLU 534 1.325 -6.787 9.454 480 HG2 GLU 534 HG2 GLU 534 0.940 -4.894 10.759 481 HG3 GLU 534 HG1 GLU 534 1.584 -4.290 9.249 482 H ASP 535 HN ASP 535 -1.180 -7.813 7.069 483 HA ASP 535 HA ASP 535 0.463 -10.139 6.895 484 HB2 ASP 535 HB2 ASP 535 -2.305 -9.522 7.066 485 HB3 ASP 535 HB1 ASP 535 -2.081 -10.572 5.683 486 H VAL 536 HN VAL 536 -1.040 -7.953 4.598 487 HA VAL 536 HA VAL 536 -0.369 -9.402 2.257 488 HB VAL 536 HB VAL 536 -0.821 -6.428 2.601 489 HG11 VAL 536 HG11 VAL 536 -0.897 -8.095 0.088 490 HG12 VAL 536 HG12 VAL 536 0.406 -6.996 0.537 491 HG13 VAL 536 HG13 VAL 536 -1.208 -6.363 0.210 492 HG21 VAL 536 HG21 VAL 536 -2.727 -7.806 3.293 493 HG22 VAL 536 HG22 VAL 536 -2.711 -8.603 1.717 494 HG23 VAL 536 HG23 VAL 536 -3.081 -6.881 1.832 495 H ALA 537 HN ALA 537 1.262 -6.775 4.026 496 HA ALA 537 HA ALA 537 3.462 -6.590 2.282 497 HB1 ALA 537 HB1 ALA 537 2.914 -4.902 3.996 498 HB2 ALA 537 HB2 ALA 537 4.601 -5.413 4.047 499 HB3 ALA 537 HB3 ALA 537 3.454 -6.026 5.242 500 H GLN 538 HN GLN 538 2.637 -8.892 4.750 501 HA GLN 538 HA GLN 538 5.201 -10.076 5.032 502 HB2 GLN 538 HB2 GLN 538 2.411 -11.045 5.567 503 HB3 GLN 538 HB1 GLN 538 3.777 -12.140 5.694 504 HG2 GLN 538 HG2 GLN 538 3.366 -9.608 7.252 505 HG3 GLN 538 HG1 GLN 538 3.193 -11.251 7.858 506 HE21 GLN 538 HE21 GLN 538 5.538 -12.187 6.349 507 HE22 GLN 538 HE22 GLN 538 6.920 -11.569 7.191 508 H GLU 539 HN GLU 539 2.386 -10.913 3.002 509 HA GLU 539 HA GLU 539 3.706 -13.066 1.719 510 HB2 GLU 539 HB2 GLU 539 1.879 -13.076 0.132 511 HB3 GLU 539 HB1 GLU 539 1.246 -12.846 1.751 512 HG2 GLU 539 HG2 GLU 539 0.962 -10.480 1.322 513 HG3 GLU 539 HG1 GLU 539 1.628 -10.680 -0.294 514 H MET 540 HN MET 540 3.582 -9.643 1.171 515 HA MET 540 HA MET 540 4.821 -9.467 -1.316 516 HB2 MET 540 HB2 MET 540 4.908 -7.705 1.110 517 HB3 MET 540 HB1 MET 540 5.760 -7.292 -0.372 518 HG2 MET 540 HG2 MET 540 3.672 -7.356 -1.605 519 HG3 MET 540 HG1 MET 540 2.811 -7.804 -0.136 520 HE1 MET 540 HE1 MET 540 1.208 -5.758 -0.902 521 HE2 MET 540 HE2 MET 540 2.323 -5.400 -2.218 522 HE3 MET 540 HE3 MET 540 1.801 -4.111 -1.128 523 H VAL 541 HN VAL 541 6.244 -9.653 1.929 524 HA VAL 541 HA VAL 541 8.947 -9.645 1.126 525 HB VAL 541 HB VAL 541 7.724 -10.852 3.619 526 HG11 VAL 541 HG11 VAL 541 10.577 -10.040 3.049 527 HG12 VAL 541 HG12 VAL 541 9.981 -11.689 3.237 528 HG13 VAL 541 HG13 VAL 541 9.956 -10.580 4.611 529 HG21 VAL 541 HG21 VAL 541 7.196 -8.478 3.334 530 HG22 VAL 541 HG22 VAL 541 8.915 -8.119 3.168 531 HG23 VAL 541 HG23 VAL 541 8.288 -8.744 4.694 532 H GLU 542 HN GLU 542 6.719 -12.293 1.900 533 HA GLU 542 HA GLU 542 8.557 -14.387 1.627 534 HB2 GLU 542 HB2 GLU 542 5.570 -14.408 1.207 535 HB3 GLU 542 HB1 GLU 542 6.574 -15.838 1.386 536 HG2 GLU 542 HG2 GLU 542 7.244 -15.023 3.634 537 HG3 GLU 542 HG1 GLU 542 6.096 -13.698 3.449 538 H SER 543 HN SER 543 6.673 -12.674 -0.774 539 HA SER 543 HA SER 543 7.265 -14.640 -2.808 540 HB2 SER 543 HB2 SER 543 5.884 -11.961 -3.057 541 HB3 SER 543 HB1 SER 543 5.935 -13.219 -4.292 542 HG SER 543 HG SER 543 4.641 -13.271 -1.773 543 H GLY 544 HN GLY 544 9.076 -12.334 -1.415 544 HA2 GLY 544 HA2 GLY 544 11.208 -11.660 -2.034 545 HA3 GLY 544 HA1 GLY 544 10.915 -12.307 -3.639 546 H TYR 545 HN TYR 545 8.481 -10.178 -2.533 547 HA TYR 545 HA TYR 545 9.330 -8.181 -4.461 548 HB2 TYR 545 HB2 TYR 545 6.878 -8.394 -2.710 549 HB3 TYR 545 HB1 TYR 545 7.186 -7.043 -3.789 550 HD1 TYR 545 HD2 TYR 545 7.848 -7.913 -6.294 551 HD2 TYR 545 HD1 TYR 545 5.399 -9.957 -3.481 552 HE1 TYR 545 HE2 TYR 545 6.762 -9.132 -8.133 553 HE2 TYR 545 HE1 TYR 545 4.305 -11.178 -5.311 554 HH TYR 545 HH TYR 545 5.521 -11.176 -8.504 555 H VAL 546 HN VAL 546 8.584 -8.317 -1.006 556 HA VAL 546 HA VAL 546 9.960 -5.739 -0.661 557 HB VAL 546 HB VAL 546 7.695 -6.969 0.920 558 HG11 VAL 546 HG11 VAL 546 9.140 -4.390 1.513 559 HG12 VAL 546 HG12 VAL 546 9.308 -5.882 2.437 560 HG13 VAL 546 HG13 VAL 546 7.755 -5.050 2.384 561 HG21 VAL 546 HG21 VAL 546 7.113 -5.848 -1.201 562 HG22 VAL 546 HG22 VAL 546 7.869 -4.370 -0.600 563 HG23 VAL 546 HG23 VAL 546 6.444 -5.028 0.209 564 H CYS 547 HN CYS 547 11.327 -5.479 1.144 565 HA CYS 547 HA CYS 547 12.588 -7.913 2.094 566 HB2 CYS 547 HB2 CYS 547 13.951 -5.965 1.386 567 HB3 CYS 547 HB1 CYS 547 13.222 -5.004 2.667 568 HG CYS 547 HG CYS 547 15.246 -5.475 4.187 569 H GLU 548 HN GLU 548 12.531 -8.640 4.159 570 HA GLU 548 HA GLU 548 10.214 -8.200 5.662 571 HB2 GLU 548 HB2 GLU 548 11.461 -10.289 5.701 572 HB3 GLU 548 HB1 GLU 548 12.827 -9.490 6.440 573 HG2 GLU 548 HG2 GLU 548 11.665 -10.737 8.101 574 HG3 GLU 548 HG1 GLU 548 11.430 -9.020 8.422 575 H GLY 549 HN GLY 549 13.345 -6.676 5.798 576 HA2 GLY 549 HA2 GLY 549 12.974 -5.464 8.364 577 HA3 GLY 549 HA1 GLY 549 14.184 -5.023 7.172 578 H ASP 550 HN ASP 550 11.734 -4.788 5.261 579 HA ASP 550 HA ASP 550 11.042 -2.048 6.081 580 HB2 ASP 550 HB2 ASP 550 11.300 -3.239 3.311 581 HB3 ASP 550 HB1 ASP 550 10.683 -1.627 3.637 582 H HIS 551 HN HIS 551 9.801 -4.819 6.493 583 HA HIS 551 HA HIS 551 7.405 -5.051 5.073 584 HB2 HIS 551 HB2 HIS 551 8.068 -6.946 6.287 585 HB3 HIS 551 HB1 HIS 551 8.347 -6.027 7.756 586 HD1 HIS 551 HD1 HIS 551 6.442 -5.852 9.399 587 HD2 HIS 551 HD2 HIS 551 5.303 -7.528 5.768 588 HE1 HIS 551 HE1 HIS 551 4.088 -6.663 9.737 589 HE2 HIS 551 HE2 HIS 551 3.475 -7.801 7.576 590 H LYS 552 HN LYS 552 8.076 -3.445 8.169 591 HA LYS 552 HA LYS 552 5.490 -2.588 8.782 592 HB2 LYS 552 HB2 LYS 552 8.167 -1.322 9.355 593 HB3 LYS 552 HB1 LYS 552 6.656 -0.727 10.023 594 HG2 LYS 552 HG2 LYS 552 6.320 -2.742 11.252 595 HG3 LYS 552 HG1 LYS 552 7.684 -3.518 10.447 596 HD2 LYS 552 HD2 LYS 552 8.224 -2.725 12.732 597 HD3 LYS 552 HD1 LYS 552 9.231 -1.987 11.485 598 HE2 LYS 552 HE2 LYS 552 7.777 -0.003 11.518 599 HE3 LYS 552 HE1 LYS 552 6.824 -0.739 12.805 600 HZ1 LYS 552 HZ1 LYS 552 8.816 -0.755 14.189 601 HZ2 LYS 552 HZ2 LYS 552 8.413 0.813 13.703 602 HZ3 LYS 552 HZ3 LYS 552 9.694 -0.001 12.956 603 H THR 553 HN THR 553 8.022 -1.026 6.896 604 HA THR 553 HA THR 553 6.791 1.430 6.464 605 HB THR 553 HB THR 553 8.710 -0.027 4.638 606 HG1 THR 553 HG1 THR 553 10.307 1.044 5.884 607 HG21 THR 553 HG21 THR 553 8.106 2.916 4.965 608 HG22 THR 553 HG22 THR 553 7.731 1.916 3.559 609 HG23 THR 553 HG23 THR 553 9.410 2.248 3.982 610 H MET 554 HN MET 554 6.642 -1.569 4.580 611 HA MET 554 HA MET 554 5.105 -0.454 2.462 612 HB2 MET 554 HB2 MET 554 5.402 -3.340 3.291 613 HB3 MET 554 HB1 MET 554 4.776 -2.765 1.752 614 HG2 MET 554 HG2 MET 554 7.564 -2.418 2.805 615 HG3 MET 554 HG1 MET 554 7.043 -3.465 1.486 616 HE1 MET 554 HE1 MET 554 9.175 -0.644 -0.231 617 HE2 MET 554 HE2 MET 554 9.043 -2.373 0.101 618 HE3 MET 554 HE3 MET 554 9.417 -1.247 1.409 619 H ALA 555 HN ALA 555 4.298 -2.437 5.281 620 HA ALA 555 HA ALA 555 1.547 -2.697 4.775 621 HB1 ALA 555 HB1 ALA 555 2.959 -2.622 7.451 622 HB2 ALA 555 HB2 ALA 555 2.782 -4.047 6.428 623 HB3 ALA 555 HB3 ALA 555 1.356 -3.291 7.140 624 H LYS 556 HN LYS 556 3.399 -0.200 6.436 625 HA LYS 556 HA LYS 556 1.201 1.299 7.392 626 HB2 LYS 556 HB2 LYS 556 3.673 1.485 8.036 627 HB3 LYS 556 HB1 LYS 556 3.890 2.408 6.560 628 HG2 LYS 556 HG2 LYS 556 2.000 3.191 8.769 629 HG3 LYS 556 HG1 LYS 556 3.655 3.773 8.632 630 HD2 LYS 556 HD2 LYS 556 3.088 4.698 6.396 631 HD3 LYS 556 HD1 LYS 556 1.413 4.208 6.661 632 HE2 LYS 556 HE2 LYS 556 2.975 6.126 8.390 633 HE3 LYS 556 HE1 LYS 556 1.791 6.588 7.169 634 HZ1 LYS 556 HZ1 LYS 556 1.193 4.924 9.556 635 HZ2 LYS 556 HZ2 LYS 556 0.074 5.500 8.426 636 HZ3 LYS 556 HZ3 LYS 556 0.888 6.584 9.435 637 H ALA 557 HN ALA 557 3.097 1.427 4.402 638 HA ALA 557 HA ALA 557 1.812 3.569 3.154 639 HB1 ALA 557 HB1 ALA 557 2.632 2.658 1.072 640 HB2 ALA 557 HB2 ALA 557 2.863 1.075 1.817 641 HB3 ALA 557 HB3 ALA 557 3.864 2.440 2.316 642 H ILE 558 HN ILE 558 1.075 0.118 3.124 643 HA ILE 558 HA ILE 558 -1.188 0.207 1.474 644 HB ILE 558 HB ILE 558 -0.646 -1.705 3.753 645 HG12 ILE 558 HG12 ILE 558 0.110 -1.967 0.846 646 HG13 ILE 558 HG11 ILE 558 1.221 -1.516 2.119 647 HG21 ILE 558 HG21 ILE 558 -2.373 -1.948 1.301 648 HG22 ILE 558 HG22 ILE 558 -2.916 -1.883 2.979 649 HG23 ILE 558 HG23 ILE 558 -1.996 -3.273 2.400 650 HD11 ILE 558 HD11 ILE 558 0.819 -3.681 3.198 651 HD12 ILE 558 HD12 ILE 558 1.487 -3.834 1.574 652 HD13 ILE 558 HD13 ILE 558 -0.230 -4.130 1.854 653 H LYS 559 HN LYS 559 -0.850 0.377 5.001 654 HA LYS 559 HA LYS 559 -3.603 0.442 5.586 655 HB2 LYS 559 HB2 LYS 559 -1.712 -0.060 7.192 656 HB3 LYS 559 HB1 LYS 559 -1.389 1.665 7.239 657 HG2 LYS 559 HG2 LYS 559 -3.512 2.125 8.216 658 HG3 LYS 559 HG1 LYS 559 -4.047 0.462 7.970 659 HD2 LYS 559 HD2 LYS 559 -1.749 1.283 9.747 660 HD3 LYS 559 HD1 LYS 559 -3.386 0.951 10.314 661 HE2 LYS 559 HE2 LYS 559 -3.216 -1.330 9.438 662 HE3 LYS 559 HE1 LYS 559 -1.579 -0.994 8.884 663 HZ1 LYS 559 HZ1 LYS 559 -0.916 -0.631 11.177 664 HZ2 LYS 559 HZ2 LYS 559 -1.568 -2.181 10.974 665 HZ3 LYS 559 HZ3 LYS 559 -2.487 -0.963 11.711 666 H ASP 560 HN ASP 560 -1.244 3.011 4.981 667 HA ASP 560 HA ASP 560 -2.835 5.191 5.727 668 HB2 ASP 560 HB2 ASP 560 -0.372 5.246 5.184 669 HB3 ASP 560 HB1 ASP 560 -0.824 5.195 3.486 670 H ARG 561 HN ARG 561 -2.489 3.536 2.616 671 HA ARG 561 HA ARG 561 -4.281 5.248 1.242 672 HB2 ARG 561 HB2 ARG 561 -2.578 3.812 0.113 673 HB3 ARG 561 HB1 ARG 561 -3.535 2.404 0.541 674 HG2 ARG 561 HG2 ARG 561 -3.970 3.055 -1.754 675 HG3 ARG 561 HG1 ARG 561 -5.408 3.283 -0.754 676 HD2 ARG 561 HD2 ARG 561 -4.788 5.669 -0.513 677 HD3 ARG 561 HD1 ARG 561 -3.474 5.399 -1.643 678 HE ARG 561 HE ARG 561 -6.299 5.030 -2.385 679 HH11 ARG 561 HH11 ARG 561 -3.077 6.205 -3.087 680 HH12 ARG 561 HH12 ARG 561 -3.569 7.078 -4.504 681 HH21 ARG 561 HH21 ARG 561 -6.946 6.197 -4.243 682 HH22 ARG 561 HH22 ARG 561 -5.759 7.056 -5.174 683 H VAL 562 HN VAL 562 -4.621 2.063 2.754 684 HA VAL 562 HA VAL 562 -7.264 1.601 1.954 685 HB VAL 562 HB VAL 562 -5.759 0.536 4.349 686 HG11 VAL 562 HG11 VAL 562 -7.420 -1.299 4.283 687 HG12 VAL 562 HG12 VAL 562 -8.344 -0.371 3.096 688 HG13 VAL 562 HG13 VAL 562 -8.113 0.261 4.727 689 HG21 VAL 562 HG21 VAL 562 -4.760 0.049 2.139 690 HG22 VAL 562 HG22 VAL 562 -6.279 -0.714 1.652 691 HG23 VAL 562 HG23 VAL 562 -5.330 -1.399 2.975 692 H SER 563 HN SER 563 -5.937 3.260 4.788 693 HA SER 563 HA SER 563 -8.353 3.561 6.199 694 HB2 SER 563 HB2 SER 563 -6.042 4.033 7.090 695 HB3 SER 563 HB1 SER 563 -6.052 5.529 6.160 696 HG SER 563 HG SER 563 -7.868 4.794 8.221 697 H LEU 564 HN LEU 564 -6.818 5.513 3.702 698 HA LEU 564 HA LEU 564 -8.740 7.598 3.636 699 HB2 LEU 564 HB2 LEU 564 -6.860 6.590 1.501 700 HB3 LEU 564 HB1 LEU 564 -7.744 8.098 1.417 701 HG LEU 564 HG LEU 564 -5.681 7.438 3.519 702 HD11 LEU 564 HD11 LEU 564 -4.661 7.612 1.317 703 HD12 LEU 564 HD12 LEU 564 -4.242 9.003 2.316 704 HD13 LEU 564 HD13 LEU 564 -5.464 9.158 1.056 705 HD21 LEU 564 HD21 LEU 564 -7.319 9.028 4.312 706 HD22 LEU 564 HD22 LEU 564 -7.135 9.992 2.848 707 HD23 LEU 564 HD23 LEU 564 -5.797 9.856 3.988 708 H ILE 565 HN ILE 565 -8.337 4.608 1.840 709 HA ILE 565 HA ILE 565 -10.517 4.854 0.094 710 HB ILE 565 HB ILE 565 -9.054 2.470 1.196 711 HG12 ILE 565 HG12 ILE 565 -9.037 3.715 -1.547 712 HG13 ILE 565 HG11 ILE 565 -7.910 4.154 -0.277 713 HG21 ILE 565 HG21 ILE 565 -10.097 1.127 -0.556 714 HG22 ILE 565 HG22 ILE 565 -11.115 2.497 -1.006 715 HG23 ILE 565 HG23 ILE 565 -11.297 1.742 0.581 716 HD11 ILE 565 HD11 ILE 565 -6.927 2.602 -1.840 717 HD12 ILE 565 HD12 ILE 565 -8.209 1.438 -1.499 718 HD13 ILE 565 HD13 ILE 565 -7.065 1.884 -0.235 719 H LYS 566 HN LYS 566 -10.227 3.344 3.281 720 HA LYS 566 HA LYS 566 -12.903 2.420 3.384 721 HB2 LYS 566 HB2 LYS 566 -10.827 2.847 5.515 722 HB3 LYS 566 HB1 LYS 566 -12.445 2.262 5.886 723 HG2 LYS 566 HG2 LYS 566 -12.051 0.414 4.244 724 HG3 LYS 566 HG1 LYS 566 -10.375 0.950 4.155 725 HD2 LYS 566 HD2 LYS 566 -10.040 0.505 6.487 726 HD3 LYS 566 HD1 LYS 566 -11.758 0.176 6.720 727 HE2 LYS 566 HE2 LYS 566 -11.529 -1.722 5.117 728 HE3 LYS 566 HE1 LYS 566 -9.789 -1.442 5.114 729 HZ1 LYS 566 HZ1 LYS 566 -9.754 -1.875 7.487 730 HZ2 LYS 566 HZ2 LYS 566 -10.410 -3.192 6.652 731 HZ3 LYS 566 HZ3 LYS 566 -11.425 -2.135 7.492 732 H ARG 567 HN ARG 567 -11.455 5.498 4.092 733 HA ARG 567 HA ARG 567 -13.489 6.620 5.660 734 HB2 ARG 567 HB2 ARG 567 -11.431 7.800 5.448 735 HB3 ARG 567 HB1 ARG 567 -11.532 7.807 3.695 736 HG2 ARG 567 HG2 ARG 567 -11.981 10.001 4.587 737 HG3 ARG 567 HG1 ARG 567 -13.418 9.344 3.807 738 HD2 ARG 567 HD2 ARG 567 -14.302 8.710 6.016 739 HD3 ARG 567 HD1 ARG 567 -12.876 9.420 6.776 740 HE ARG 567 HE ARG 567 -13.660 11.555 5.623 741 HH11 ARG 567 HH11 ARG 567 -15.833 9.095 6.855 742 HH12 ARG 567 HH12 ARG 567 -17.176 10.188 7.026 743 HH21 ARG 567 HH21 ARG 567 -15.415 12.983 5.856 744 HH22 ARG 567 HH22 ARG 567 -16.949 12.389 6.428 745 H LYS 568 HN LYS 568 -13.184 6.120 2.200 746 HA LYS 568 HA LYS 568 -15.499 7.531 1.412 747 HB2 LYS 568 HB2 LYS 568 -13.781 6.955 -0.193 748 HB3 LYS 568 HB1 LYS 568 -13.969 5.243 0.157 749 HG2 LYS 568 HG2 LYS 568 -15.052 5.607 -1.887 750 HG3 LYS 568 HG1 LYS 568 -16.321 5.460 -0.671 751 HD2 LYS 568 HD2 LYS 568 -17.055 7.293 -1.851 752 HD3 LYS 568 HD1 LYS 568 -16.117 8.066 -0.575 753 HE2 LYS 568 HE2 LYS 568 -15.155 7.470 -3.369 754 HE3 LYS 568 HE1 LYS 568 -15.641 9.047 -2.764 755 HZ1 LYS 568 HZ1 LYS 568 -13.280 8.905 -2.734 756 HZ2 LYS 568 HZ2 LYS 568 -13.307 7.446 -1.881 757 HZ3 LYS 568 HZ3 LYS 568 -13.811 8.873 -1.128 758 H ARG 569 HN ARG 569 -14.833 4.243 2.437 759 HA ARG 569 HA ARG 569 -17.401 3.164 1.956 760 HB2 ARG 569 HB2 ARG 569 -15.142 2.300 3.685 761 HB3 ARG 569 HB1 ARG 569 -16.646 1.393 3.539 762 HG2 ARG 569 HG2 ARG 569 -16.245 1.494 1.022 763 HG3 ARG 569 HG1 ARG 569 -14.592 1.962 1.447 764 HD2 ARG 569 HD2 ARG 569 -14.593 -0.379 1.208 765 HD3 ARG 569 HD1 ARG 569 -14.536 -0.007 2.924 766 HE ARG 569 HE ARG 569 -17.138 -0.573 1.755 767 HH11 ARG 569 HH11 ARG 569 -14.472 -1.617 3.759 768 HH12 ARG 569 HH12 ARG 569 -15.362 -2.900 4.521 769 HH21 ARG 569 HH21 ARG 569 -18.329 -2.253 2.755 770 HH22 ARG 569 HH22 ARG 569 -17.566 -3.246 3.954 771 H GLU 570 HN GLU 570 -15.949 4.863 4.620 772 HA GLU 570 HA GLU 570 -17.752 4.250 6.658 773 HB2 GLU 570 HB2 GLU 570 -16.056 6.681 6.163 774 HB3 GLU 570 HB1 GLU 570 -17.000 6.454 7.629 775 HG2 GLU 570 HG2 GLU 570 -14.852 4.598 6.638 776 HG3 GLU 570 HG1 GLU 570 -14.668 5.800 7.909 777 H GLN 571 HN GLN 571 -17.784 6.876 4.285 778 HA GLN 571 HA GLN 571 -19.417 8.223 3.499 779 HB2 GLN 571 HB2 GLN 571 -20.755 6.158 3.308 780 HB3 GLN 571 HB1 GLN 571 -21.306 6.366 4.963 781 HG2 GLN 571 HG2 GLN 571 -23.016 7.090 3.452 782 HG3 GLN 571 HG1 GLN 571 -22.368 8.481 4.317 783 HE21 GLN 571 HE21 GLN 571 -22.617 6.871 1.254 784 HE22 GLN 571 HE22 GLN 571 -22.020 8.179 0.290 785 H ARG 572 HN ARG 572 -20.312 10.133 4.104 786 HA ARG 572 HA ARG 572 -20.867 11.914 5.378 787 HB2 ARG 572 HB2 ARG 572 -21.239 9.891 7.588 788 HB3 ARG 572 HB1 ARG 572 -21.619 11.599 7.736 789 HG2 ARG 572 HG2 ARG 572 -22.916 9.624 5.873 790 HG3 ARG 572 HG1 ARG 572 -23.629 10.346 7.315 791 HD2 ARG 572 HD2 ARG 572 -23.368 12.578 6.244 792 HD3 ARG 572 HD1 ARG 572 -22.829 11.762 4.776 793 HE ARG 572 HE ARG 572 -25.359 10.800 5.709 794 HH11 ARG 572 HH11 ARG 572 -23.781 13.304 3.848 795 HH12 ARG 572 HH12 ARG 572 -25.205 13.713 2.949 796 HH21 ARG 572 HH21 ARG 572 -27.246 11.339 4.530 797 HH22 ARG 572 HH22 ARG 572 -27.174 12.594 3.336 Start of MODEL 13 1 H1 GLY 475 HT1 GLY 475 3.096 12.548 0.919 2 H2 GLY 475 HT2 GLY 475 3.966 13.723 1.769 3 H3 GLY 475 HT3 GLY 475 2.832 12.765 2.574 4 HA2 GLY 475 HA1 GLY 475 4.166 10.789 2.153 5 HA3 GLY 475 HA2 GLY 475 5.353 11.804 1.343 6 H ALA 476 HN ALA 476 6.870 10.960 2.925 7 HA ALA 476 HA ALA 476 6.522 11.982 5.645 8 HB1 ALA 476 HB1 ALA 476 8.651 10.165 4.519 9 HB2 ALA 476 HB2 ALA 476 7.218 9.651 5.407 10 HB3 ALA 476 HB3 ALA 476 8.459 10.610 6.215 11 H MET 477 HN MET 477 7.162 14.013 5.933 12 HA MET 477 HA MET 477 9.211 15.202 4.289 13 HB2 MET 477 HB2 MET 477 7.236 16.489 5.043 14 HB3 MET 477 HB1 MET 477 7.773 16.315 6.707 15 HG2 MET 477 HG2 MET 477 9.832 17.551 6.133 16 HG3 MET 477 HG1 MET 477 9.203 17.787 4.505 17 HE1 MET 477 HE1 MET 477 7.021 19.203 3.959 18 HE2 MET 477 HE2 MET 477 6.054 20.028 5.181 19 HE3 MET 477 HE3 MET 477 6.081 18.266 5.120 20 H ASP 478 HN ASP 478 8.964 13.697 7.389 21 HA ASP 478 HA ASP 478 11.718 14.501 8.039 22 HB2 ASP 478 HB2 ASP 478 9.567 13.411 9.825 23 HB3 ASP 478 HB1 ASP 478 11.207 13.742 10.339 24 HA PRO 479 HA PRO 479 13.144 10.366 7.253 25 HB2 PRO 479 HB2 PRO 479 15.225 11.092 9.222 26 HB3 PRO 479 HB1 PRO 479 15.403 10.617 7.529 27 HG2 PRO 479 HG2 PRO 479 15.804 13.140 8.306 28 HG3 PRO 479 HG1 PRO 479 15.020 12.770 6.758 29 HD2 PRO 479 HD2 PRO 479 13.774 13.609 9.350 30 HD3 PRO 479 HD1 PRO 479 13.400 14.143 7.707 31 H GLN 480 HN GLN 480 11.906 11.552 10.110 32 HA GLN 480 HA GLN 480 12.588 9.487 11.931 33 HB2 GLN 480 HB2 GLN 480 11.849 11.662 12.715 34 HB3 GLN 480 HB1 GLN 480 10.299 11.453 11.915 35 HG2 GLN 480 HG2 GLN 480 9.718 9.659 13.415 36 HG3 GLN 480 HG1 GLN 480 11.311 9.736 14.167 37 HE21 GLN 480 HE21 GLN 480 11.810 11.441 15.523 38 HE22 GLN 480 HE22 GLN 480 10.594 12.470 16.197 39 H GLU 481 HN GLU 481 9.963 9.965 9.637 40 HA GLU 481 HA GLU 481 8.637 7.541 10.558 41 HB2 GLU 481 HB2 GLU 481 7.313 9.565 9.940 42 HB3 GLU 481 HB1 GLU 481 7.869 9.381 8.283 43 HG2 GLU 481 HG2 GLU 481 5.622 8.488 8.584 44 HG3 GLU 481 HG1 GLU 481 6.763 7.225 8.125 45 H GLU 482 HN GLU 482 8.430 5.695 9.367 46 HA GLU 482 HA GLU 482 10.440 5.347 7.282 47 HB2 GLU 482 HB2 GLU 482 9.909 2.902 7.575 48 HB3 GLU 482 HB1 GLU 482 10.579 3.696 8.992 49 HG2 GLU 482 HG2 GLU 482 8.341 3.866 9.957 50 HG3 GLU 482 HG1 GLU 482 7.672 3.064 8.536 51 H THR 483 HN THR 483 9.350 6.460 5.633 52 HA THR 483 HA THR 483 7.066 4.958 4.553 53 HB THR 483 HB THR 483 7.564 7.858 3.916 54 HG1 THR 483 HG1 THR 483 6.709 6.743 6.263 55 HG21 THR 483 HG21 THR 483 6.007 6.637 2.464 56 HG22 THR 483 HG22 THR 483 5.155 7.837 3.431 57 HG23 THR 483 HG23 THR 483 5.082 6.132 3.875 58 H GLY 484 HN GLY 484 8.356 7.442 2.538 59 HA2 GLY 484 HA2 GLY 484 9.367 7.300 0.479 60 HA3 GLY 484 HA1 GLY 484 10.310 5.968 1.144 61 H VAL 485 HN VAL 485 6.832 6.101 0.890 62 HA VAL 485 HA VAL 485 6.713 4.215 -1.306 63 HB VAL 485 HB VAL 485 5.085 2.839 0.209 64 HG11 VAL 485 HG11 VAL 485 7.097 1.929 -0.827 65 HG12 VAL 485 HG12 VAL 485 6.836 1.292 0.798 66 HG13 VAL 485 HG13 VAL 485 8.060 2.536 0.522 67 HG21 VAL 485 HG21 VAL 485 5.885 2.701 2.541 68 HG22 VAL 485 HG22 VAL 485 5.167 4.261 2.122 69 HG23 VAL 485 HG23 VAL 485 6.920 4.099 2.223 70 H ARG 486 HN ARG 486 4.575 3.980 -2.108 71 HA ARG 486 HA ARG 486 2.438 5.396 -0.809 72 HB2 ARG 486 HB2 ARG 486 3.624 7.177 -2.069 73 HB3 ARG 486 HB1 ARG 486 3.269 6.315 -3.561 74 HG2 ARG 486 HG2 ARG 486 1.720 8.206 -3.040 75 HG3 ARG 486 HG1 ARG 486 0.922 6.646 -3.276 76 HD2 ARG 486 HD2 ARG 486 0.777 6.324 -0.877 77 HD3 ARG 486 HD1 ARG 486 1.653 7.830 -0.604 78 HE ARG 486 HE ARG 486 -0.574 8.503 -2.092 79 HH11 ARG 486 HH11 ARG 486 0.123 7.044 0.995 80 HH12 ARG 486 HH12 ARG 486 -1.324 7.620 1.768 81 HH21 ARG 486 HH21 ARG 486 -2.485 9.301 -1.099 82 HH22 ARG 486 HH22 ARG 486 -2.798 8.931 0.570 83 H VAL 487 HN VAL 487 0.472 4.698 -1.382 84 HA VAL 487 HA VAL 487 0.429 2.456 -3.277 85 HB VAL 487 HB VAL 487 -1.177 2.808 -0.741 86 HG11 VAL 487 HG11 VAL 487 -2.005 0.569 -1.127 87 HG12 VAL 487 HG12 VAL 487 -1.070 0.456 -2.617 88 HG13 VAL 487 HG13 VAL 487 -2.408 1.599 -2.502 89 HG21 VAL 487 HG21 VAL 487 1.099 0.981 -1.453 90 HG22 VAL 487 HG22 VAL 487 0.170 0.910 0.045 91 HG23 VAL 487 HG23 VAL 487 1.147 2.334 -0.321 92 H GLU 488 HN GLU 488 -0.945 2.541 -4.880 93 HA GLU 488 HA GLU 488 -3.039 4.622 -4.859 94 HB2 GLU 488 HB2 GLU 488 -1.051 4.002 -7.047 95 HB3 GLU 488 HB1 GLU 488 -2.461 5.023 -7.272 96 HG2 GLU 488 HG2 GLU 488 -1.589 6.488 -5.448 97 HG3 GLU 488 HG1 GLU 488 -0.118 5.517 -5.459 98 H LEU 489 HN LEU 489 -4.817 4.260 -6.203 99 HA LEU 489 HA LEU 489 -5.625 1.528 -6.382 100 HB2 LEU 489 HB2 LEU 489 -6.931 4.007 -7.493 101 HB3 LEU 489 HB1 LEU 489 -7.680 2.432 -7.359 102 HG LEU 489 HG LEU 489 -6.700 3.963 -4.957 103 HD11 LEU 489 HD11 LEU 489 -8.356 5.322 -6.079 104 HD12 LEU 489 HD12 LEU 489 -9.071 4.595 -4.641 105 HD13 LEU 489 HD13 LEU 489 -9.435 3.936 -6.238 106 HD21 LEU 489 HD21 LEU 489 -8.210 2.485 -3.749 107 HD22 LEU 489 HD22 LEU 489 -7.047 1.539 -4.678 108 HD23 LEU 489 HD23 LEU 489 -8.700 1.718 -5.260 109 H ALA 490 HN ALA 490 -5.735 0.230 -8.135 110 HA ALA 490 HA ALA 490 -4.399 1.052 -10.566 111 HB1 ALA 490 HB1 ALA 490 -4.134 -1.229 -9.635 112 HB2 ALA 490 HB2 ALA 490 -4.726 -1.231 -11.297 113 HB3 ALA 490 HB3 ALA 490 -5.841 -1.531 -9.963 114 H GLU 491 HN GLU 491 -7.579 0.851 -9.315 115 HA GLU 491 HA GLU 491 -8.663 1.640 -11.919 116 HB2 GLU 491 HB2 GLU 491 -10.800 0.388 -10.822 117 HB3 GLU 491 HB1 GLU 491 -9.698 -0.360 -11.966 118 HG2 GLU 491 HG2 GLU 491 -10.028 -1.886 -10.192 119 HG3 GLU 491 HG1 GLU 491 -8.401 -1.235 -10.028 120 H GLU 492 HN GLU 492 -11.220 2.138 -11.196 121 HA GLU 492 HA GLU 492 -10.862 4.546 -9.620 122 HB2 GLU 492 HB2 GLU 492 -13.134 5.113 -10.475 123 HB3 GLU 492 HB1 GLU 492 -11.954 4.809 -11.741 124 HG2 GLU 492 HG2 GLU 492 -12.872 2.459 -11.847 125 HG3 GLU 492 HG1 GLU 492 -14.195 3.034 -10.836 126 H ASP 493 HN ASP 493 -11.080 4.318 -7.475 127 HA ASP 493 HA ASP 493 -13.372 2.744 -6.538 128 HB2 ASP 493 HB2 ASP 493 -11.318 1.543 -5.992 129 HB3 ASP 493 HB1 ASP 493 -10.696 2.967 -5.162 130 H ASP 494 HN ASP 494 -14.824 3.887 -5.539 131 HA ASP 494 HA ASP 494 -14.087 5.675 -3.415 132 HB2 ASP 494 HB2 ASP 494 -14.005 7.129 -5.485 133 HB3 ASP 494 HB1 ASP 494 -15.725 6.823 -5.688 134 H GLY 495 HN GLY 495 -15.629 3.176 -4.094 135 HA2 GLY 495 HA2 GLY 495 -18.290 4.037 -3.152 136 HA3 GLY 495 HA1 GLY 495 -18.044 2.702 -4.265 137 H GLU 496 HN GLU 496 -18.193 0.775 -3.411 138 HA GLU 496 HA GLU 496 -17.610 0.439 -0.548 139 HB2 GLU 496 HB2 GLU 496 -20.100 -0.401 -2.028 140 HB3 GLU 496 HB1 GLU 496 -19.681 -0.993 -0.427 141 HG2 GLU 496 HG2 GLU 496 -19.826 1.238 0.476 142 HG3 GLU 496 HG1 GLU 496 -20.115 1.901 -1.133 143 H LYS 497 HN LYS 497 -16.237 -0.390 -3.109 144 HA LYS 497 HA LYS 497 -16.453 -3.126 -3.549 145 HB2 LYS 497 HB2 LYS 497 -14.027 -1.330 -3.631 146 HB3 LYS 497 HB1 LYS 497 -14.084 -2.953 -4.275 147 HG2 LYS 497 HG2 LYS 497 -15.721 -2.304 -5.915 148 HG3 LYS 497 HG1 LYS 497 -15.804 -0.684 -5.217 149 HD2 LYS 497 HD2 LYS 497 -13.529 -0.235 -5.825 150 HD3 LYS 497 HD1 LYS 497 -13.289 -1.905 -6.344 151 HE2 LYS 497 HE2 LYS 497 -14.805 -1.615 -8.172 152 HE3 LYS 497 HE1 LYS 497 -15.268 -0.015 -7.597 153 HZ1 LYS 497 HZ1 LYS 497 -12.465 -0.642 -8.317 154 HZ2 LYS 497 HZ2 LYS 497 -13.218 0.873 -8.195 155 HZ3 LYS 497 HZ3 LYS 497 -13.595 -0.154 -9.482 156 H ILE 498 HN ILE 498 -15.701 -4.901 -2.501 157 HA ILE 498 HA ILE 498 -14.624 -4.502 0.169 158 HB ILE 498 HB ILE 498 -15.653 -6.957 -1.228 159 HG12 ILE 498 HG12 ILE 498 -17.315 -5.267 -0.519 160 HG13 ILE 498 HG11 ILE 498 -17.474 -6.784 0.345 161 HG21 ILE 498 HG21 ILE 498 -14.636 -6.703 1.601 162 HG22 ILE 498 HG22 ILE 498 -13.841 -7.582 0.293 163 HG23 ILE 498 HG23 ILE 498 -15.404 -8.128 0.900 164 HD11 ILE 498 HD11 ILE 498 -17.757 -4.947 1.864 165 HD12 ILE 498 HD12 ILE 498 -16.202 -4.274 1.381 166 HD13 ILE 498 HD13 ILE 498 -16.267 -5.811 2.247 167 H ALA 499 HN ALA 499 -13.723 -5.644 -2.969 168 HA ALA 499 HA ALA 499 -10.994 -6.017 -1.966 169 HB1 ALA 499 HB1 ALA 499 -10.719 -7.904 -3.494 170 HB2 ALA 499 HB2 ALA 499 -12.431 -7.789 -3.916 171 HB3 ALA 499 HB3 ALA 499 -11.953 -8.199 -2.267 172 H ILE 500 HN ILE 500 -9.678 -4.702 -2.904 173 HA ILE 500 HA ILE 500 -10.331 -3.613 -5.563 174 HB ILE 500 HB ILE 500 -9.292 -1.539 -4.875 175 HG12 ILE 500 HG12 ILE 500 -8.743 -3.008 -2.291 176 HG13 ILE 500 HG11 ILE 500 -7.562 -2.325 -3.405 177 HG21 ILE 500 HG21 ILE 500 -11.231 -2.509 -2.793 178 HG22 ILE 500 HG22 ILE 500 -11.664 -1.876 -4.382 179 HG23 ILE 500 HG23 ILE 500 -10.894 -0.824 -3.192 180 HD11 ILE 500 HD11 ILE 500 -8.300 -0.093 -2.851 181 HD12 ILE 500 HD12 ILE 500 -7.821 -0.974 -1.400 182 HD13 ILE 500 HD13 ILE 500 -9.530 -0.753 -1.774 183 H LYS 501 HN LYS 501 -8.042 -2.341 -6.204 184 HA LYS 501 HA LYS 501 -5.846 -4.221 -5.767 185 HB2 LYS 501 HB2 LYS 501 -7.027 -4.942 -7.816 186 HB3 LYS 501 HB1 LYS 501 -6.753 -3.350 -8.510 187 HG2 LYS 501 HG2 LYS 501 -4.404 -3.700 -8.584 188 HG3 LYS 501 HG1 LYS 501 -4.539 -5.184 -7.641 189 HD2 LYS 501 HD2 LYS 501 -4.203 -5.729 -9.977 190 HD3 LYS 501 HD1 LYS 501 -5.824 -6.209 -9.481 191 HE2 LYS 501 HE2 LYS 501 -5.367 -3.540 -10.754 192 HE3 LYS 501 HE1 LYS 501 -5.471 -4.989 -11.751 193 HZ1 LYS 501 HZ1 LYS 501 -7.565 -4.130 -9.827 194 HZ2 LYS 501 HZ2 LYS 501 -7.662 -5.414 -10.919 195 HZ3 LYS 501 HZ3 LYS 501 -7.607 -3.826 -11.487 196 H LEU 502 HN LEU 502 -4.388 -2.924 -4.834 197 HA LEU 502 HA LEU 502 -3.952 -0.235 -5.859 198 HB2 LEU 502 HB2 LEU 502 -2.633 -1.689 -3.574 199 HB3 LEU 502 HB1 LEU 502 -2.434 0.000 -3.969 200 HG LEU 502 HG LEU 502 -3.830 0.019 -2.157 201 HD11 LEU 502 HD11 LEU 502 -5.707 0.068 -4.487 202 HD12 LEU 502 HD12 LEU 502 -4.719 1.415 -3.915 203 HD13 LEU 502 HD13 LEU 502 -6.006 0.770 -2.896 204 HD21 LEU 502 HD21 LEU 502 -5.401 -2.242 -3.307 205 HD22 LEU 502 HD22 LEU 502 -5.734 -1.401 -1.789 206 HD23 LEU 502 HD23 LEU 502 -4.242 -2.318 -1.978 207 H TRP 503 HN TRP 503 -1.765 0.504 -6.230 208 HA TRP 503 HA TRP 503 0.225 -1.602 -6.744 209 HB2 TRP 503 HB2 TRP 503 -0.197 1.026 -8.170 210 HB3 TRP 503 HB1 TRP 503 1.313 0.127 -8.269 211 HD1 TRP 503 HD1 TRP 503 -2.424 -0.558 -8.949 212 HE1 TRP 503 HE1 TRP 503 -2.616 -1.975 -11.091 213 HE3 TRP 503 HE3 TRP 503 2.529 -1.312 -9.842 214 HZ2 TRP 503 HZ2 TRP 503 -0.877 -3.262 -12.895 215 HZ3 TRP 503 HZ3 TRP 503 3.186 -2.666 -11.779 216 HH2 TRP 503 HH2 TRP 503 1.521 -3.623 -13.274 217 H LEU 504 HN LEU 504 1.802 -1.563 -5.290 218 HA LEU 504 HA LEU 504 2.206 0.728 -3.573 219 HB2 LEU 504 HB2 LEU 504 2.329 -1.473 -2.604 220 HB3 LEU 504 HB1 LEU 504 3.552 -1.958 -3.744 221 HG LEU 504 HG LEU 504 5.086 -0.262 -2.715 222 HD11 LEU 504 HD11 LEU 504 4.534 0.570 -0.488 223 HD12 LEU 504 HD12 LEU 504 2.921 -0.132 -0.625 224 HD13 LEU 504 HD13 LEU 504 3.409 1.178 -1.702 225 HD21 LEU 504 HD21 LEU 504 4.031 -2.401 -0.875 226 HD22 LEU 504 HD22 LEU 504 5.625 -1.647 -0.798 227 HD23 LEU 504 HD23 LEU 504 5.188 -2.652 -2.182 228 H ARG 505 HN ARG 505 3.209 2.391 -4.527 229 HA ARG 505 HA ARG 505 5.496 1.923 -6.267 230 HB2 ARG 505 HB2 ARG 505 4.064 4.444 -5.445 231 HB3 ARG 505 HB1 ARG 505 5.502 4.424 -6.452 232 HG2 ARG 505 HG2 ARG 505 4.180 2.895 -8.004 233 HG3 ARG 505 HG1 ARG 505 2.762 3.414 -7.088 234 HD2 ARG 505 HD2 ARG 505 4.712 5.272 -8.431 235 HD3 ARG 505 HD1 ARG 505 3.180 4.759 -9.132 236 HE ARG 505 HE ARG 505 2.027 6.008 -7.484 237 HH11 ARG 505 HH11 ARG 505 5.506 6.451 -7.364 238 HH12 ARG 505 HH12 ARG 505 5.412 7.938 -6.482 239 HH21 ARG 505 HH21 ARG 505 1.910 7.970 -6.323 240 HH22 ARG 505 HH22 ARG 505 3.365 8.808 -5.892 241 H ILE 506 HN ILE 506 7.545 2.110 -5.643 242 HA ILE 506 HA ILE 506 8.131 2.871 -2.898 243 HB ILE 506 HB ILE 506 10.164 2.143 -5.001 244 HG12 ILE 506 HG12 ILE 506 8.448 0.354 -4.916 245 HG13 ILE 506 HG11 ILE 506 10.002 -0.187 -4.295 246 HG21 ILE 506 HG21 ILE 506 11.357 1.310 -2.943 247 HG22 ILE 506 HG22 ILE 506 10.108 2.120 -1.998 248 HG23 ILE 506 HG23 ILE 506 11.154 3.058 -3.067 249 HD11 ILE 506 HD11 ILE 506 9.172 0.113 -2.008 250 HD12 ILE 506 HD12 ILE 506 8.204 -1.035 -2.933 251 HD13 ILE 506 HD13 ILE 506 7.606 0.602 -2.655 252 H GLU 507 HN GLU 507 8.410 4.940 -2.423 253 HA GLU 507 HA GLU 507 8.892 6.886 -4.486 254 HB2 GLU 507 HB2 GLU 507 8.616 7.230 -1.497 255 HB3 GLU 507 HB1 GLU 507 8.566 8.509 -2.696 256 HG2 GLU 507 HG2 GLU 507 6.551 7.342 -3.665 257 HG3 GLU 507 HG1 GLU 507 6.569 6.338 -2.215 258 H ASP 508 HN ASP 508 10.508 5.909 -1.471 259 HA ASP 508 HA ASP 508 13.000 7.036 -2.553 260 HB2 ASP 508 HB2 ASP 508 12.000 8.589 -0.877 261 HB3 ASP 508 HB1 ASP 508 12.106 7.306 0.325 262 H ILE 509 HN ILE 509 14.051 5.223 -2.995 263 HA ILE 509 HA ILE 509 13.800 2.865 -1.406 264 HB ILE 509 HB ILE 509 15.426 1.893 -2.972 265 HG12 ILE 509 HG12 ILE 509 15.733 3.602 -5.042 266 HG13 ILE 509 HG11 ILE 509 15.798 4.734 -3.696 267 HG21 ILE 509 HG21 ILE 509 14.042 2.081 -4.979 268 HG22 ILE 509 HG22 ILE 509 13.223 3.473 -4.270 269 HG23 ILE 509 HG23 ILE 509 13.075 1.885 -3.520 270 HD11 ILE 509 HD11 ILE 509 18.020 4.052 -4.255 271 HD12 ILE 509 HD12 ILE 509 17.570 2.350 -4.143 272 HD13 ILE 509 HD13 ILE 509 17.587 3.354 -2.693 273 H LYS 510 HN LYS 510 15.679 5.623 -1.117 274 HA LYS 510 HA LYS 510 17.976 4.364 0.072 275 HB2 LYS 510 HB2 LYS 510 17.083 7.232 -0.155 276 HB3 LYS 510 HB1 LYS 510 18.552 6.755 0.674 277 HG2 LYS 510 HG2 LYS 510 17.923 6.320 -2.238 278 HG3 LYS 510 HG1 LYS 510 19.053 7.497 -1.572 279 HD2 LYS 510 HD2 LYS 510 19.295 4.495 -1.359 280 HD3 LYS 510 HD1 LYS 510 20.222 5.531 -2.442 281 HE2 LYS 510 HE2 LYS 510 21.277 6.626 -0.578 282 HE3 LYS 510 HE1 LYS 510 20.249 5.763 0.562 283 HZ1 LYS 510 HZ1 LYS 510 22.274 4.524 -1.216 284 HZ2 LYS 510 HZ2 LYS 510 21.277 3.691 -0.136 285 HZ3 LYS 510 HZ3 LYS 510 22.434 4.774 0.449 286 H LYS 511 HN LYS 511 14.862 5.238 1.099 287 HA LYS 511 HA LYS 511 15.518 5.563 3.872 288 HB2 LYS 511 HB2 LYS 511 13.680 6.839 3.089 289 HB3 LYS 511 HB1 LYS 511 13.001 5.461 2.240 290 HG2 LYS 511 HG2 LYS 511 11.672 5.857 4.153 291 HG3 LYS 511 HG1 LYS 511 12.625 4.390 4.378 292 HD2 LYS 511 HD2 LYS 511 12.703 5.580 6.442 293 HD3 LYS 511 HD1 LYS 511 14.273 5.746 5.658 294 HE2 LYS 511 HE2 LYS 511 12.207 7.841 5.200 295 HE3 LYS 511 HE1 LYS 511 13.064 7.819 6.737 296 HZ1 LYS 511 HZ1 LYS 511 14.113 9.267 5.077 297 HZ2 LYS 511 HZ2 LYS 511 14.379 7.937 4.074 298 HZ3 LYS 511 HZ3 LYS 511 15.145 8.023 5.577 299 H LEU 512 HN LEU 512 14.619 3.097 1.643 300 HA LEU 512 HA LEU 512 13.862 1.195 3.696 301 HB2 LEU 512 HB2 LEU 512 14.238 0.730 0.740 302 HB3 LEU 512 HB1 LEU 512 13.339 -0.270 1.868 303 HG LEU 512 HG LEU 512 12.579 2.528 1.020 304 HD11 LEU 512 HD11 LEU 512 11.441 -0.157 0.287 305 HD12 LEU 512 HD12 LEU 512 12.275 0.970 -0.782 306 HD13 LEU 512 HD13 LEU 512 10.706 1.397 -0.102 307 HD21 LEU 512 HD21 LEU 512 11.879 2.035 3.304 308 HD22 LEU 512 HD22 LEU 512 11.117 0.541 2.755 309 HD23 LEU 512 HD23 LEU 512 10.496 2.101 2.213 310 H LYS 513 HN LYS 513 14.933 -0.889 3.878 311 HA LYS 513 HA LYS 513 17.841 -0.550 3.633 312 HB2 LYS 513 HB2 LYS 513 16.257 -2.527 5.279 313 HB3 LYS 513 HB1 LYS 513 18.003 -2.339 5.305 314 HG2 LYS 513 HG2 LYS 513 15.978 -0.286 6.166 315 HG3 LYS 513 HG1 LYS 513 16.996 -1.263 7.224 316 HD2 LYS 513 HD2 LYS 513 18.991 -0.212 6.215 317 HD3 LYS 513 HD1 LYS 513 17.932 0.800 5.232 318 HE2 LYS 513 HE2 LYS 513 16.961 1.755 7.264 319 HE3 LYS 513 HE1 LYS 513 18.021 0.749 8.245 320 HZ1 LYS 513 HZ1 LYS 513 18.837 3.028 7.986 321 HZ2 LYS 513 HZ2 LYS 513 18.949 2.806 6.316 322 HZ3 LYS 513 HZ3 LYS 513 19.922 1.897 7.357 323 H GLY 514 HN GLY 514 15.272 -2.169 2.179 324 HA2 GLY 514 HA2 GLY 514 16.746 -4.481 1.286 325 HA3 GLY 514 HA1 GLY 514 15.159 -3.974 0.733 326 H LYS 515 HN LYS 515 16.012 -4.627 -1.381 327 HA LYS 515 HA LYS 515 17.628 -2.486 -2.612 328 HB2 LYS 515 HB2 LYS 515 17.385 -5.398 -3.402 329 HB3 LYS 515 HB1 LYS 515 18.185 -4.182 -4.377 330 HG2 LYS 515 HG2 LYS 515 19.908 -5.299 -3.271 331 HG3 LYS 515 HG1 LYS 515 19.704 -3.797 -2.373 332 HD2 LYS 515 HD2 LYS 515 18.374 -4.980 -0.694 333 HD3 LYS 515 HD1 LYS 515 18.566 -6.482 -1.600 334 HE2 LYS 515 HE2 LYS 515 20.820 -4.866 -0.420 335 HE3 LYS 515 HE1 LYS 515 20.118 -6.309 0.309 336 HZ1 LYS 515 HZ1 LYS 515 20.821 -7.587 -1.607 337 HZ2 LYS 515 HZ2 LYS 515 22.148 -6.805 -0.912 338 HZ3 LYS 515 HZ3 LYS 515 21.467 -6.205 -2.338 339 H TYR 516 HN TYR 516 16.169 -1.129 -3.504 340 HA TYR 516 HA TYR 516 14.027 -2.315 -5.141 341 HB2 TYR 516 HB2 TYR 516 13.704 0.042 -3.273 342 HB3 TYR 516 HB1 TYR 516 12.452 -0.640 -4.304 343 HD1 TYR 516 HD1 TYR 516 11.600 -2.939 -3.817 344 HD2 TYR 516 HD2 TYR 516 14.199 -0.865 -1.173 345 HE1 TYR 516 HE1 TYR 516 11.000 -4.494 -2.014 346 HE2 TYR 516 HE2 TYR 516 13.603 -2.408 0.639 347 HH TYR 516 HH TYR 516 12.157 -5.315 0.117 348 H LYS 517 HN LYS 517 12.932 -0.555 -6.467 349 HA LYS 517 HA LYS 517 14.951 1.302 -7.547 350 HB2 LYS 517 HB2 LYS 517 12.539 0.219 -9.015 351 HB3 LYS 517 HB1 LYS 517 13.904 1.088 -9.697 352 HG2 LYS 517 HG2 LYS 517 15.352 -0.786 -9.330 353 HG3 LYS 517 HG1 LYS 517 14.082 -1.646 -8.456 354 HD2 LYS 517 HD2 LYS 517 12.712 -1.636 -10.512 355 HD3 LYS 517 HD1 LYS 517 14.045 -0.863 -11.368 356 HE2 LYS 517 HE2 LYS 517 15.468 -2.790 -10.888 357 HE3 LYS 517 HE1 LYS 517 14.139 -3.556 -10.021 358 HZ1 LYS 517 HZ1 LYS 517 14.391 -4.379 -12.302 359 HZ2 LYS 517 HZ2 LYS 517 14.077 -2.827 -12.897 360 HZ3 LYS 517 HZ3 LYS 517 12.880 -3.665 -12.046 361 H ASP 518 HN ASP 518 14.359 3.445 -7.743 362 HA ASP 518 HA ASP 518 12.070 4.265 -6.198 363 HB2 ASP 518 HB2 ASP 518 12.907 6.554 -6.561 364 HB3 ASP 518 HB1 ASP 518 14.177 5.484 -5.980 365 H ASN 519 HN ASN 519 11.421 2.860 -8.504 366 HA ASN 519 HA ASN 519 9.420 4.562 -9.585 367 HB2 ASN 519 HB2 ASN 519 10.036 4.236 -11.977 368 HB3 ASN 519 HB1 ASN 519 11.186 5.243 -11.107 369 HD21 ASN 519 HD21 ASN 519 13.262 4.572 -10.876 370 HD22 ASN 519 HD22 ASN 519 13.897 3.145 -11.619 371 H GLU 520 HN GLU 520 9.802 2.044 -8.112 372 HA GLU 520 HA GLU 520 8.684 0.115 -10.010 373 HB2 GLU 520 HB2 GLU 520 10.676 -0.615 -8.736 374 HB3 GLU 520 HB1 GLU 520 9.791 -0.367 -7.237 375 HG2 GLU 520 HG2 GLU 520 9.827 -2.711 -7.828 376 HG3 GLU 520 HG1 GLU 520 8.183 -2.084 -7.905 377 H ALA 521 HN ALA 521 6.743 -0.825 -9.677 378 HA ALA 521 HA ALA 521 5.157 0.056 -7.366 379 HB1 ALA 521 HB1 ALA 521 4.583 1.463 -9.308 380 HB2 ALA 521 HB2 ALA 521 3.232 0.465 -8.777 381 HB3 ALA 521 HB3 ALA 521 4.151 0.012 -10.211 382 H ILE 522 HN ILE 522 4.293 -1.527 -6.341 383 HA ILE 522 HA ILE 522 4.220 -4.183 -7.577 384 HB ILE 522 HB ILE 522 4.220 -3.312 -4.688 385 HG12 ILE 522 HG12 ILE 522 6.288 -4.870 -6.241 386 HG13 ILE 522 HG11 ILE 522 6.360 -3.139 -5.970 387 HG21 ILE 522 HG21 ILE 522 2.877 -5.338 -4.983 388 HG22 ILE 522 HG22 ILE 522 4.374 -5.671 -4.111 389 HG23 ILE 522 HG23 ILE 522 4.233 -6.104 -5.813 390 HD11 ILE 522 HD11 ILE 522 7.755 -4.552 -4.437 391 HD12 ILE 522 HD12 ILE 522 6.241 -5.126 -3.731 392 HD13 ILE 522 HD13 ILE 522 6.661 -3.416 -3.648 393 H GLU 523 HN GLU 523 2.291 -4.533 -8.484 394 HA GLU 523 HA GLU 523 -0.170 -3.401 -7.523 395 HB2 GLU 523 HB2 GLU 523 0.029 -3.747 -9.852 396 HB3 GLU 523 HB1 GLU 523 0.527 -5.415 -9.656 397 HG2 GLU 523 HG2 GLU 523 -1.795 -5.794 -8.648 398 HG3 GLU 523 HG1 GLU 523 -2.194 -4.202 -9.293 399 H PHE 524 HN PHE 524 -1.485 -4.223 -6.007 400 HA PHE 524 HA PHE 524 -1.604 -7.104 -5.582 401 HB2 PHE 524 HB2 PHE 524 -1.329 -6.928 -3.155 402 HB3 PHE 524 HB1 PHE 524 0.111 -6.345 -3.983 403 HD1 PHE 524 HD2 PHE 524 0.542 -3.905 -4.114 404 HD2 PHE 524 HD1 PHE 524 -2.590 -5.518 -1.727 405 HE1 PHE 524 HE2 PHE 524 0.407 -1.790 -2.867 406 HE2 PHE 524 HE1 PHE 524 -2.724 -3.407 -0.475 407 HZ PHE 524 HZ PHE 524 -1.219 -1.575 -0.984 408 H SER 525 HN SER 525 -3.594 -7.806 -4.890 409 HA SER 525 HA SER 525 -5.728 -5.851 -4.929 410 HB2 SER 525 HB2 SER 525 -7.215 -7.846 -4.772 411 HB3 SER 525 HB1 SER 525 -6.097 -7.930 -6.132 412 HG SER 525 HG SER 525 -6.053 -9.348 -3.693 413 H PHE 526 HN PHE 526 -7.114 -5.374 -3.172 414 HA PHE 526 HA PHE 526 -6.154 -6.437 -0.596 415 HB2 PHE 526 HB2 PHE 526 -5.441 -4.002 -1.131 416 HB3 PHE 526 HB1 PHE 526 -7.140 -3.609 -0.889 417 HD1 PHE 526 HD1 PHE 526 -8.185 -3.895 1.301 418 HD2 PHE 526 HD2 PHE 526 -4.028 -4.539 0.711 419 HE1 PHE 526 HE1 PHE 526 -7.823 -3.766 3.727 420 HE2 PHE 526 HE2 PHE 526 -3.657 -4.416 3.140 421 HZ PHE 526 HZ PHE 526 -5.541 -4.022 4.649 422 H ASP 527 HN ASP 527 -7.708 -7.662 0.146 423 HA ASP 527 HA ASP 527 -10.500 -6.975 -0.208 424 HB2 ASP 527 HB2 ASP 527 -9.552 -9.342 -0.182 425 HB3 ASP 527 HB1 ASP 527 -9.330 -9.134 1.546 426 H LEU 528 HN LEU 528 -11.294 -5.401 1.006 427 HA LEU 528 HA LEU 528 -9.887 -4.315 3.202 428 HB2 LEU 528 HB2 LEU 528 -12.672 -3.789 2.176 429 HB3 LEU 528 HB1 LEU 528 -11.829 -2.793 3.341 430 HG LEU 528 HG LEU 528 -10.784 -3.289 0.559 431 HD11 LEU 528 HD11 LEU 528 -12.966 -2.177 0.462 432 HD12 LEU 528 HD12 LEU 528 -11.653 -1.109 -0.034 433 HD13 LEU 528 HD13 LEU 528 -12.372 -0.939 1.569 434 HD21 LEU 528 HD21 LEU 528 -9.164 -2.578 2.294 435 HD22 LEU 528 HD22 LEU 528 -10.138 -1.131 2.555 436 HD23 LEU 528 HD23 LEU 528 -9.365 -1.406 0.994 437 H GLU 529 HN GLU 529 -12.004 -6.931 3.055 438 HA GLU 529 HA GLU 529 -12.693 -6.611 5.891 439 HB2 GLU 529 HB2 GLU 529 -13.931 -8.324 3.744 440 HB3 GLU 529 HB1 GLU 529 -14.311 -8.505 5.450 441 HG2 GLU 529 HG2 GLU 529 -14.925 -6.029 5.383 442 HG3 GLU 529 HG1 GLU 529 -14.892 -6.204 3.632 443 H ARG 530 HN ARG 530 -11.311 -8.877 3.551 444 HA ARG 530 HA ARG 530 -10.604 -10.739 5.662 445 HB2 ARG 530 HB2 ARG 530 -10.271 -10.773 2.668 446 HB3 ARG 530 HB1 ARG 530 -9.672 -12.043 3.716 447 HG2 ARG 530 HG2 ARG 530 -11.858 -12.654 4.386 448 HG3 ARG 530 HG1 ARG 530 -12.551 -11.203 3.662 449 HD2 ARG 530 HD2 ARG 530 -12.932 -13.240 2.312 450 HD3 ARG 530 HD1 ARG 530 -12.030 -11.994 1.452 451 HE ARG 530 HE ARG 530 -10.756 -14.356 2.684 452 HH11 ARG 530 HH11 ARG 530 -11.081 -12.050 0.071 453 HH12 ARG 530 HH12 ARG 530 -9.792 -12.740 -0.862 454 HH21 ARG 530 HH21 ARG 530 -9.067 -15.273 1.447 455 HH22 ARG 530 HH22 ARG 530 -8.650 -14.572 -0.084 456 H ASP 531 HN ASP 531 -8.889 -8.779 3.228 457 HA ASP 531 HA ASP 531 -6.318 -9.708 4.018 458 HB2 ASP 531 HB2 ASP 531 -7.300 -7.602 2.147 459 HB3 ASP 531 HB1 ASP 531 -5.618 -7.554 2.656 460 H VAL 532 HN VAL 532 -4.620 -8.500 4.874 461 HA VAL 532 HA VAL 532 -5.354 -6.164 6.494 462 HB VAL 532 HB VAL 532 -3.689 -8.537 7.378 463 HG11 VAL 532 HG11 VAL 532 -3.302 -7.359 9.470 464 HG12 VAL 532 HG12 VAL 532 -4.167 -5.952 8.853 465 HG13 VAL 532 HG13 VAL 532 -2.643 -6.442 8.114 466 HG21 VAL 532 HG21 VAL 532 -6.075 -8.890 7.587 467 HG22 VAL 532 HG22 VAL 532 -6.248 -7.361 8.449 468 HG23 VAL 532 HG23 VAL 532 -5.351 -8.693 9.184 469 HA PRO 533 HA PRO 533 -2.071 -4.259 4.229 470 HB2 PRO 533 HB2 PRO 533 -1.411 -2.904 6.799 471 HB3 PRO 533 HB1 PRO 533 -1.699 -2.203 5.207 472 HG2 PRO 533 HG2 PRO 533 -3.560 -2.041 7.078 473 HG3 PRO 533 HG1 PRO 533 -4.001 -2.407 5.410 474 HD2 PRO 533 HD2 PRO 533 -3.787 -4.246 7.751 475 HD3 PRO 533 HD1 PRO 533 -5.007 -4.213 6.465 476 H GLU 534 HN GLU 534 -1.139 -5.042 7.577 477 HA GLU 534 HA GLU 534 1.575 -5.485 7.057 478 HB2 GLU 534 HB2 GLU 534 -0.163 -6.637 9.235 479 HB3 GLU 534 HB1 GLU 534 1.592 -6.626 9.229 480 HG2 GLU 534 HG2 GLU 534 1.282 -4.781 10.471 481 HG3 GLU 534 HG1 GLU 534 1.170 -4.022 8.890 482 H ASP 535 HN ASP 535 -1.212 -7.553 6.721 483 HA ASP 535 HA ASP 535 0.200 -10.022 6.534 484 HB2 ASP 535 HB2 ASP 535 -2.174 -10.002 7.064 485 HB3 ASP 535 HB1 ASP 535 -2.541 -9.222 5.533 486 H VAL 536 HN VAL 536 -1.151 -7.765 4.175 487 HA VAL 536 HA VAL 536 -0.323 -9.095 1.851 488 HB VAL 536 HB VAL 536 -0.666 -6.124 2.306 489 HG11 VAL 536 HG11 VAL 536 -0.866 -5.927 -0.103 490 HG12 VAL 536 HG12 VAL 536 -0.600 -7.664 -0.288 491 HG13 VAL 536 HG13 VAL 536 0.697 -6.632 0.319 492 HG21 VAL 536 HG21 VAL 536 -2.874 -6.448 1.318 493 HG22 VAL 536 HG22 VAL 536 -2.681 -7.432 2.772 494 HG23 VAL 536 HG23 VAL 536 -2.564 -8.177 1.175 495 H ALA 537 HN ALA 537 1.303 -6.668 3.859 496 HA ALA 537 HA ALA 537 3.628 -6.460 2.282 497 HB1 ALA 537 HB1 ALA 537 3.405 -6.048 5.260 498 HB2 ALA 537 HB2 ALA 537 2.993 -4.843 4.039 499 HB3 ALA 537 HB3 ALA 537 4.657 -5.409 4.192 500 H GLN 538 HN GLN 538 2.610 -8.811 4.667 501 HA GLN 538 HA GLN 538 5.136 -10.100 4.952 502 HB2 GLN 538 HB2 GLN 538 2.305 -10.866 5.533 503 HB3 GLN 538 HB1 GLN 538 3.538 -12.115 5.519 504 HG2 GLN 538 HG2 GLN 538 3.603 -9.642 7.220 505 HG3 GLN 538 HG1 GLN 538 3.087 -11.236 7.762 506 HE21 GLN 538 HE21 GLN 538 5.132 -12.607 6.180 507 HE22 GLN 538 HE22 GLN 538 6.627 -12.347 7.013 508 H GLU 539 HN GLU 539 2.294 -10.707 2.913 509 HA GLU 539 HA GLU 539 3.294 -12.848 1.423 510 HB2 GLU 539 HB2 GLU 539 1.557 -10.599 0.385 511 HB3 GLU 539 HB1 GLU 539 1.678 -12.222 -0.277 512 HG2 GLU 539 HG2 GLU 539 0.599 -11.536 2.443 513 HG3 GLU 539 HG1 GLU 539 -0.372 -11.857 1.011 514 H MET 540 HN MET 540 3.633 -9.373 1.018 515 HA MET 540 HA MET 540 5.021 -9.264 -1.368 516 HB2 MET 540 HB2 MET 540 5.152 -7.529 1.080 517 HB3 MET 540 HB1 MET 540 6.062 -7.168 -0.382 518 HG2 MET 540 HG2 MET 540 4.003 -7.104 -1.667 519 HG3 MET 540 HG1 MET 540 3.081 -7.476 -0.212 520 HE1 MET 540 HE1 MET 540 1.641 -5.331 -1.044 521 HE2 MET 540 HE2 MET 540 2.811 -5.063 -2.333 522 HE3 MET 540 HE3 MET 540 2.351 -3.730 -1.267 523 H VAL 541 HN VAL 541 6.228 -9.807 1.900 524 HA VAL 541 HA VAL 541 8.977 -9.871 1.237 525 HB VAL 541 HB VAL 541 7.551 -11.186 3.559 526 HG11 VAL 541 HG11 VAL 541 9.774 -12.127 3.208 527 HG12 VAL 541 HG12 VAL 541 9.728 -11.145 4.674 528 HG13 VAL 541 HG13 VAL 541 10.470 -10.506 3.206 529 HG21 VAL 541 HG21 VAL 541 7.169 -8.778 3.459 530 HG22 VAL 541 HG22 VAL 541 8.908 -8.498 3.366 531 HG23 VAL 541 HG23 VAL 541 8.204 -9.200 4.823 532 H GLU 542 HN GLU 542 6.596 -12.467 1.749 533 HA GLU 542 HA GLU 542 8.371 -14.607 1.303 534 HB2 GLU 542 HB2 GLU 542 5.380 -14.527 0.895 535 HB3 GLU 542 HB1 GLU 542 6.358 -15.981 1.040 536 HG2 GLU 542 HG2 GLU 542 7.000 -15.239 3.331 537 HG3 GLU 542 HG1 GLU 542 5.854 -13.910 3.163 538 H SER 543 HN SER 543 6.589 -12.583 -0.893 539 HA SER 543 HA SER 543 6.904 -14.411 -3.102 540 HB2 SER 543 HB2 SER 543 5.935 -11.549 -3.129 541 HB3 SER 543 HB1 SER 543 5.733 -12.738 -4.414 542 HG SER 543 HG SER 543 4.552 -12.701 -1.841 543 H GLY 544 HN GLY 544 8.791 -12.009 -1.633 544 HA2 GLY 544 HA2 GLY 544 11.067 -11.700 -2.210 545 HA3 GLY 544 HA1 GLY 544 10.690 -12.168 -3.858 546 H TYR 545 HN TYR 545 8.393 -10.003 -2.736 547 HA TYR 545 HA TYR 545 9.414 -7.890 -4.408 548 HB2 TYR 545 HB2 TYR 545 7.013 -7.958 -2.574 549 HB3 TYR 545 HB1 TYR 545 7.390 -6.665 -3.699 550 HD1 TYR 545 HD2 TYR 545 7.710 -7.488 -6.201 551 HD2 TYR 545 HD1 TYR 545 5.466 -9.551 -3.240 552 HE1 TYR 545 HE2 TYR 545 6.471 -8.654 -7.967 553 HE2 TYR 545 HE1 TYR 545 4.222 -10.735 -5.004 554 HH TYR 545 HH TYR 545 5.236 -10.848 -8.183 555 H VAL 546 HN VAL 546 8.730 -8.308 -0.962 556 HA VAL 546 HA VAL 546 10.268 -5.856 -0.404 557 HB VAL 546 HB VAL 546 7.874 -6.989 1.072 558 HG11 VAL 546 HG11 VAL 546 7.993 -5.103 2.552 559 HG12 VAL 546 HG12 VAL 546 9.408 -4.477 1.706 560 HG13 VAL 546 HG13 VAL 546 9.520 -5.985 2.613 561 HG21 VAL 546 HG21 VAL 546 7.394 -5.829 -1.062 562 HG22 VAL 546 HG22 VAL 546 8.180 -4.387 -0.420 563 HG23 VAL 546 HG23 VAL 546 6.717 -5.007 0.343 564 H CYS 547 HN CYS 547 11.571 -5.839 1.468 565 HA CYS 547 HA CYS 547 12.457 -8.475 2.354 566 HB2 CYS 547 HB2 CYS 547 14.136 -6.758 1.632 567 HB3 CYS 547 HB1 CYS 547 13.612 -5.743 2.971 568 HG CYS 547 HG CYS 547 15.565 -6.636 4.387 569 H GLU 548 HN GLU 548 12.419 -9.085 4.512 570 HA GLU 548 HA GLU 548 10.074 -8.319 5.864 571 HB2 GLU 548 HB2 GLU 548 10.824 -9.870 7.618 572 HB3 GLU 548 HB1 GLU 548 10.951 -10.566 6.014 573 HG2 GLU 548 HG2 GLU 548 13.351 -10.079 6.001 574 HG3 GLU 548 HG1 GLU 548 13.214 -9.428 7.633 575 H GLY 549 HN GLY 549 13.180 -6.935 5.927 576 HA2 GLY 549 HA2 GLY 549 12.977 -5.826 8.584 577 HA3 GLY 549 HA1 GLY 549 14.186 -5.426 7.374 578 H ASP 550 HN ASP 550 11.798 -4.994 5.471 579 HA ASP 550 HA ASP 550 11.127 -2.279 6.413 580 HB2 ASP 550 HB2 ASP 550 11.468 -3.343 3.599 581 HB3 ASP 550 HB1 ASP 550 10.805 -1.759 3.967 582 H HIS 551 HN HIS 551 9.812 -4.885 6.883 583 HA HIS 551 HA HIS 551 7.564 -5.271 5.248 584 HB2 HIS 551 HB2 HIS 551 8.220 -7.082 6.605 585 HB3 HIS 551 HB1 HIS 551 8.274 -6.096 8.059 586 HD1 HIS 551 HD1 HIS 551 6.249 -6.106 9.507 587 HD2 HIS 551 HD2 HIS 551 5.509 -7.701 5.742 588 HE1 HIS 551 HE1 HIS 551 3.893 -6.971 9.592 589 HE2 HIS 551 HE2 HIS 551 3.432 -7.851 7.277 590 H LYS 552 HN LYS 552 7.838 -3.571 8.386 591 HA LYS 552 HA LYS 552 5.089 -2.925 8.517 592 HB2 LYS 552 HB2 LYS 552 7.499 -1.857 9.952 593 HB3 LYS 552 HB1 LYS 552 5.872 -1.330 10.300 594 HG2 LYS 552 HG2 LYS 552 6.764 -4.188 10.471 595 HG3 LYS 552 HG1 LYS 552 6.762 -3.076 11.838 596 HD2 LYS 552 HD2 LYS 552 4.320 -3.751 10.200 597 HD3 LYS 552 HD1 LYS 552 4.751 -4.553 11.709 598 HE2 LYS 552 HE2 LYS 552 4.200 -1.604 11.375 599 HE3 LYS 552 HE1 LYS 552 3.088 -2.787 12.061 600 HZ1 LYS 552 HZ1 LYS 552 4.237 -1.578 13.793 601 HZ2 LYS 552 HZ2 LYS 552 5.739 -2.046 13.178 602 HZ3 LYS 552 HZ3 LYS 552 4.694 -3.202 13.826 603 H THR 553 HN THR 553 7.881 -1.355 7.164 604 HA THR 553 HA THR 553 6.899 1.229 6.788 605 HB THR 553 HB THR 553 8.764 -0.353 5.008 606 HG1 THR 553 HG1 THR 553 9.027 0.728 7.515 607 HG21 THR 553 HG21 THR 553 9.644 1.840 4.341 608 HG22 THR 553 HG22 THR 553 8.396 2.630 5.303 609 HG23 THR 553 HG23 THR 553 7.946 1.659 3.900 610 H MET 554 HN MET 554 6.751 -1.608 4.660 611 HA MET 554 HA MET 554 5.334 -0.349 2.568 612 HB2 MET 554 HB2 MET 554 5.417 -3.275 3.308 613 HB3 MET 554 HB1 MET 554 4.901 -2.613 1.764 614 HG2 MET 554 HG2 MET 554 7.653 -2.396 2.940 615 HG3 MET 554 HG1 MET 554 7.153 -3.493 1.657 616 HE1 MET 554 HE1 MET 554 9.280 -2.516 0.334 617 HE2 MET 554 HE2 MET 554 9.603 -1.328 1.598 618 HE3 MET 554 HE3 MET 554 9.465 -0.812 -0.084 619 H ALA 555 HN ALA 555 4.324 -2.299 5.323 620 HA ALA 555 HA ALA 555 1.596 -2.478 4.679 621 HB1 ALA 555 HB1 ALA 555 2.869 -2.523 7.417 622 HB2 ALA 555 HB2 ALA 555 2.724 -3.908 6.336 623 HB3 ALA 555 HB3 ALA 555 1.274 -3.146 6.991 624 H LYS 556 HN LYS 556 3.453 -0.004 6.340 625 HA LYS 556 HA LYS 556 1.268 1.484 7.337 626 HB2 LYS 556 HB2 LYS 556 3.507 1.858 8.178 627 HB3 LYS 556 HB1 LYS 556 4.062 2.340 6.580 628 HG2 LYS 556 HG2 LYS 556 3.736 4.283 7.961 629 HG3 LYS 556 HG1 LYS 556 2.553 4.258 6.655 630 HD2 LYS 556 HD2 LYS 556 0.873 3.358 8.198 631 HD3 LYS 556 HD1 LYS 556 2.056 3.433 9.511 632 HE2 LYS 556 HE2 LYS 556 2.238 5.853 9.194 633 HE3 LYS 556 HE1 LYS 556 1.043 5.773 7.903 634 HZ1 LYS 556 HZ1 LYS 556 -0.577 4.969 9.507 635 HZ2 LYS 556 HZ2 LYS 556 0.046 6.468 9.983 636 HZ3 LYS 556 HZ3 LYS 556 0.573 5.054 10.745 637 H ALA 557 HN ALA 557 3.099 1.598 4.326 638 HA ALA 557 HA ALA 557 1.764 3.757 3.130 639 HB1 ALA 557 HB1 ALA 557 2.650 2.953 1.042 640 HB2 ALA 557 HB2 ALA 557 2.889 1.339 1.710 641 HB3 ALA 557 HB3 ALA 557 3.872 2.683 2.286 642 H ILE 558 HN ILE 558 1.127 0.291 3.093 643 HA ILE 558 HA ILE 558 -1.108 0.328 1.388 644 HB ILE 558 HB ILE 558 -0.539 -1.616 3.635 645 HG12 ILE 558 HG12 ILE 558 0.326 -1.756 0.745 646 HG13 ILE 558 HG11 ILE 558 1.372 -1.312 2.078 647 HG21 ILE 558 HG21 ILE 558 -2.775 -1.855 2.767 648 HG22 ILE 558 HG22 ILE 558 -1.781 -3.203 2.210 649 HG23 ILE 558 HG23 ILE 558 -2.164 -1.876 1.114 650 HD11 ILE 558 HD11 ILE 558 1.725 -3.609 1.444 651 HD12 ILE 558 HD12 ILE 558 0.015 -3.962 1.692 652 HD13 ILE 558 HD13 ILE 558 1.033 -3.523 3.063 653 H LYS 559 HN LYS 559 -0.838 0.412 4.926 654 HA LYS 559 HA LYS 559 -3.612 0.349 5.430 655 HB2 LYS 559 HB2 LYS 559 -1.762 -0.194 7.058 656 HB3 LYS 559 HB1 LYS 559 -1.495 1.534 7.224 657 HG2 LYS 559 HG2 LYS 559 -3.692 1.853 8.124 658 HG3 LYS 559 HG1 LYS 559 -4.113 0.170 7.807 659 HD2 LYS 559 HD2 LYS 559 -1.926 1.074 9.683 660 HD3 LYS 559 HD1 LYS 559 -3.557 0.623 10.185 661 HE2 LYS 559 HE2 LYS 559 -3.190 -1.614 9.169 662 HE3 LYS 559 HE1 LYS 559 -1.525 -1.148 8.830 663 HZ1 LYS 559 HZ1 LYS 559 -2.763 -1.317 11.524 664 HZ2 LYS 559 HZ2 LYS 559 -1.170 -0.854 11.206 665 HZ3 LYS 559 HZ3 LYS 559 -1.674 -2.435 10.864 666 H ASP 560 HN ASP 560 -1.362 2.991 4.836 667 HA ASP 560 HA ASP 560 -3.042 5.092 5.680 668 HB2 ASP 560 HB2 ASP 560 -0.638 5.399 5.221 669 HB3 ASP 560 HB1 ASP 560 -0.955 5.159 3.506 670 H ARG 561 HN ARG 561 -2.638 3.539 2.518 671 HA ARG 561 HA ARG 561 -4.489 5.211 1.175 672 HB2 ARG 561 HB2 ARG 561 -2.704 3.820 0.072 673 HB3 ARG 561 HB1 ARG 561 -3.672 2.393 0.424 674 HG2 ARG 561 HG2 ARG 561 -3.857 3.392 -1.908 675 HG3 ARG 561 HG1 ARG 561 -5.349 3.019 -1.049 676 HD2 ARG 561 HD2 ARG 561 -5.752 5.276 -0.545 677 HD3 ARG 561 HD1 ARG 561 -4.116 5.751 -0.977 678 HE ARG 561 HE ARG 561 -4.914 5.002 -3.330 679 HH11 ARG 561 HH11 ARG 561 -6.885 6.577 -0.911 680 HH12 ARG 561 HH12 ARG 561 -7.839 7.450 -2.064 681 HH21 ARG 561 HH21 ARG 561 -6.161 6.192 -4.865 682 HH22 ARG 561 HH22 ARG 561 -7.420 7.243 -4.300 683 H VAL 562 HN VAL 562 -4.689 2.028 2.675 684 HA VAL 562 HA VAL 562 -7.327 1.440 1.961 685 HB VAL 562 HB VAL 562 -5.641 0.491 4.278 686 HG11 VAL 562 HG11 VAL 562 -7.233 -1.371 4.462 687 HG12 VAL 562 HG12 VAL 562 -8.279 -0.570 3.288 688 HG13 VAL 562 HG13 VAL 562 -7.968 0.184 4.851 689 HG21 VAL 562 HG21 VAL 562 -6.360 -0.825 1.662 690 HG22 VAL 562 HG22 VAL 562 -5.298 -1.478 2.912 691 HG23 VAL 562 HG23 VAL 562 -4.822 -0.033 2.015 692 H SER 563 HN SER 563 -6.000 3.289 4.660 693 HA SER 563 HA SER 563 -8.336 3.441 6.207 694 HB2 SER 563 HB2 SER 563 -6.029 4.152 6.927 695 HB3 SER 563 HB1 SER 563 -6.239 5.604 5.953 696 HG SER 563 HG SER 563 -7.020 6.310 7.794 697 H LEU 564 HN LEU 564 -7.139 5.519 3.598 698 HA LEU 564 HA LEU 564 -9.302 7.348 3.627 699 HB2 LEU 564 HB2 LEU 564 -7.538 6.549 1.309 700 HB3 LEU 564 HB1 LEU 564 -8.541 7.981 1.387 701 HG LEU 564 HG LEU 564 -6.136 7.419 3.124 702 HD11 LEU 564 HD11 LEU 564 -6.564 9.322 0.826 703 HD12 LEU 564 HD12 LEU 564 -5.500 7.916 0.848 704 HD13 LEU 564 HD13 LEU 564 -5.151 9.305 1.877 705 HD21 LEU 564 HD21 LEU 564 -6.432 9.714 3.910 706 HD22 LEU 564 HD22 LEU 564 -7.830 8.716 4.308 707 HD23 LEU 564 HD23 LEU 564 -7.913 9.853 2.962 708 H ILE 565 HN ILE 565 -8.633 4.413 1.828 709 HA ILE 565 HA ILE 565 -10.849 4.370 0.141 710 HB ILE 565 HB ILE 565 -9.118 2.209 1.289 711 HG12 ILE 565 HG12 ILE 565 -9.305 3.324 -1.501 712 HG13 ILE 565 HG11 ILE 565 -8.235 3.975 -0.269 713 HG21 ILE 565 HG21 ILE 565 -10.034 0.701 -0.420 714 HG22 ILE 565 HG22 ILE 565 -11.249 1.915 -0.821 715 HG23 ILE 565 HG23 ILE 565 -11.239 1.167 0.779 716 HD11 ILE 565 HD11 ILE 565 -7.049 1.895 -0.148 717 HD12 ILE 565 HD12 ILE 565 -7.106 2.464 -1.816 718 HD13 ILE 565 HD13 ILE 565 -8.170 1.162 -1.291 719 H LYS 566 HN LYS 566 -10.388 2.887 3.328 720 HA LYS 566 HA LYS 566 -12.967 1.734 3.460 721 HB2 LYS 566 HB2 LYS 566 -10.925 2.345 5.575 722 HB3 LYS 566 HB1 LYS 566 -12.484 1.628 5.961 723 HG2 LYS 566 HG2 LYS 566 -11.950 -0.198 4.335 724 HG3 LYS 566 HG1 LYS 566 -10.330 0.482 4.210 725 HD2 LYS 566 HD2 LYS 566 -9.974 0.149 6.591 726 HD3 LYS 566 HD1 LYS 566 -11.620 -0.457 6.772 727 HE2 LYS 566 HE2 LYS 566 -11.083 -2.326 5.275 728 HE3 LYS 566 HE1 LYS 566 -9.434 -1.722 5.121 729 HZ1 LYS 566 HZ1 LYS 566 -9.144 -2.049 7.504 730 HZ2 LYS 566 HZ2 LYS 566 -9.560 -3.497 6.738 731 HZ3 LYS 566 HZ3 LYS 566 -10.718 -2.653 7.632 732 H ARG 567 HN ARG 567 -11.841 4.941 4.056 733 HA ARG 567 HA ARG 567 -13.867 5.897 5.735 734 HB2 ARG 567 HB2 ARG 567 -11.670 6.998 4.651 735 HB3 ARG 567 HB1 ARG 567 -12.862 7.643 3.535 736 HG2 ARG 567 HG2 ARG 567 -12.920 7.992 6.526 737 HG3 ARG 567 HG1 ARG 567 -12.335 9.187 5.369 738 HD2 ARG 567 HD2 ARG 567 -14.547 9.292 4.353 739 HD3 ARG 567 HD1 ARG 567 -15.131 8.075 5.485 740 HE ARG 567 HE ARG 567 -14.055 10.605 6.518 741 HH11 ARG 567 HH11 ARG 567 -16.767 8.442 6.048 742 HH12 ARG 567 HH12 ARG 567 -17.790 9.275 7.170 743 HH21 ARG 567 HH21 ARG 567 -15.419 11.725 7.967 744 HH22 ARG 567 HH22 ARG 567 -17.036 11.158 8.239 745 H LYS 568 HN LYS 568 -13.790 5.242 2.282 746 HA LYS 568 HA LYS 568 -16.302 6.445 1.667 747 HB2 LYS 568 HB2 LYS 568 -14.647 4.354 0.255 748 HB3 LYS 568 HB1 LYS 568 -16.193 4.902 -0.369 749 HG2 LYS 568 HG2 LYS 568 -14.486 6.079 -1.516 750 HG3 LYS 568 HG1 LYS 568 -15.264 7.219 -0.419 751 HD2 LYS 568 HD2 LYS 568 -13.441 7.003 1.153 752 HD3 LYS 568 HD1 LYS 568 -12.690 5.757 0.157 753 HE2 LYS 568 HE2 LYS 568 -11.621 7.954 -0.114 754 HE3 LYS 568 HE1 LYS 568 -12.315 7.349 -1.617 755 HZ1 LYS 568 HZ1 LYS 568 -13.799 9.209 0.134 756 HZ2 LYS 568 HZ2 LYS 568 -14.066 8.858 -1.507 757 HZ3 LYS 568 HZ3 LYS 568 -12.717 9.765 -1.038 758 H ARG 569 HN ARG 569 -15.282 3.321 2.840 759 HA ARG 569 HA ARG 569 -17.809 2.030 2.537 760 HB2 ARG 569 HB2 ARG 569 -15.275 1.385 4.005 761 HB3 ARG 569 HB1 ARG 569 -16.715 0.396 4.196 762 HG2 ARG 569 HG2 ARG 569 -15.213 -0.533 2.560 763 HG3 ARG 569 HG1 ARG 569 -16.731 -0.072 1.814 764 HD2 ARG 569 HD2 ARG 569 -15.698 1.935 0.927 765 HD3 ARG 569 HD1 ARG 569 -14.185 1.541 1.744 766 HE ARG 569 HE ARG 569 -14.852 -0.627 0.137 767 HH11 ARG 569 HH11 ARG 569 -13.950 2.738 -0.284 768 HH12 ARG 569 HH12 ARG 569 -13.190 2.460 -1.828 769 HH21 ARG 569 HH21 ARG 569 -13.859 -0.966 -1.854 770 HH22 ARG 569 HH22 ARG 569 -13.183 0.377 -2.742 771 H GLU 570 HN GLU 570 -16.659 4.376 4.633 772 HA GLU 570 HA GLU 570 -18.113 3.599 6.979 773 HB2 GLU 570 HB2 GLU 570 -16.789 6.194 6.190 774 HB3 GLU 570 HB1 GLU 570 -17.571 5.930 7.742 775 HG2 GLU 570 HG2 GLU 570 -16.008 4.038 8.138 776 HG3 GLU 570 HG1 GLU 570 -15.178 4.474 6.649 777 H GLN 571 HN GLN 571 -19.904 3.274 5.238 778 HA GLN 571 HA GLN 571 -21.776 5.518 5.496 779 HB2 GLN 571 HB2 GLN 571 -20.905 5.485 3.189 780 HB3 GLN 571 HB1 GLN 571 -21.326 3.786 3.046 781 HG2 GLN 571 HG2 GLN 571 -23.712 4.429 3.370 782 HG3 GLN 571 HG1 GLN 571 -23.209 6.117 3.300 783 HE21 GLN 571 HE21 GLN 571 -23.573 3.155 1.516 784 HE22 GLN 571 HE22 GLN 571 -23.457 3.853 -0.061 785 H ARG 572 HN ARG 572 -24.071 4.708 5.346 786 HA ARG 572 HA ARG 572 -24.260 2.014 6.462 787 HB2 ARG 572 HB2 ARG 572 -26.314 4.219 6.242 788 HB3 ARG 572 HB1 ARG 572 -26.632 2.634 6.929 789 HG2 ARG 572 HG2 ARG 572 -24.626 4.619 7.989 790 HG3 ARG 572 HG1 ARG 572 -26.238 4.338 8.646 791 HD2 ARG 572 HD2 ARG 572 -24.724 3.119 10.009 792 HD3 ARG 572 HD1 ARG 572 -25.559 1.939 9.002 793 HE ARG 572 HE ARG 572 -23.046 2.846 7.922 794 HH11 ARG 572 HH11 ARG 572 -24.626 0.488 9.969 795 HH12 ARG 572 HH12 ARG 572 -23.345 -0.673 9.839 796 HH21 ARG 572 HH21 ARG 572 -21.355 1.317 7.743 797 HH22 ARG 572 HH22 ARG 572 -21.478 -0.195 8.584 Start of MODEL 14 1 H1 GLY 475 HT1 GLY 475 3.631 14.110 7.008 2 H2 GLY 475 HT2 GLY 475 2.573 14.289 8.321 3 H3 GLY 475 HT3 GLY 475 4.242 14.334 8.574 4 HA2 GLY 475 HA1 GLY 475 2.678 16.322 7.032 5 HA3 GLY 475 HA2 GLY 475 3.286 16.551 8.664 6 H ALA 476 HN ALA 476 3.853 17.344 5.567 7 HA ALA 476 HA ALA 476 6.598 18.076 6.144 8 HB1 ALA 476 HB1 ALA 476 7.505 17.070 4.111 9 HB2 ALA 476 HB2 ALA 476 5.937 16.342 3.766 10 HB3 ALA 476 HB3 ALA 476 6.849 15.838 5.188 11 H MET 477 HN MET 477 7.069 20.003 5.275 12 HA MET 477 HA MET 477 5.087 21.298 3.598 13 HB2 MET 477 HB2 MET 477 6.105 22.526 5.481 14 HB3 MET 477 HB1 MET 477 7.686 22.360 4.730 15 HG2 MET 477 HG2 MET 477 6.767 24.574 4.356 16 HG3 MET 477 HG1 MET 477 6.941 23.698 2.837 17 HE1 MET 477 HE1 MET 477 5.190 26.338 3.184 18 HE2 MET 477 HE2 MET 477 3.742 25.916 2.273 19 HE3 MET 477 HE3 MET 477 5.334 25.485 1.649 20 H ASP 478 HN ASP 478 8.456 20.275 3.427 21 HA ASP 478 HA ASP 478 8.715 21.015 0.647 22 HB2 ASP 478 HB2 ASP 478 10.917 20.003 0.774 23 HB3 ASP 478 HB1 ASP 478 10.667 21.015 2.190 24 HA PRO 479 HA PRO 479 6.941 17.565 -1.467 25 HB2 PRO 479 HB2 PRO 479 9.631 17.565 -2.796 26 HB3 PRO 479 HB1 PRO 479 8.023 17.444 -3.527 27 HG2 PRO 479 HG2 PRO 479 9.301 19.746 -3.578 28 HG3 PRO 479 HG1 PRO 479 7.570 19.710 -3.186 29 HD2 PRO 479 HD2 PRO 479 9.912 20.100 -1.383 30 HD3 PRO 479 HD1 PRO 479 8.295 20.820 -1.304 31 H GLN 480 HN GLN 480 7.036 16.245 0.437 32 HA GLN 480 HA GLN 480 8.309 13.764 0.095 33 HB2 GLN 480 HB2 GLN 480 9.811 15.749 1.608 34 HB3 GLN 480 HB1 GLN 480 9.389 14.370 2.613 35 HG2 GLN 480 HG2 GLN 480 10.835 14.234 -0.022 36 HG3 GLN 480 HG1 GLN 480 11.584 14.122 1.569 37 HE21 GLN 480 HE21 GLN 480 11.512 12.210 -0.656 38 HE22 GLN 480 HE22 GLN 480 10.842 10.756 -0.002 39 H GLU 481 HN GLU 481 8.070 12.566 2.413 40 HA GLU 481 HA GLU 481 5.939 13.625 4.037 41 HB2 GLU 481 HB2 GLU 481 4.800 12.593 2.019 42 HB3 GLU 481 HB1 GLU 481 5.433 11.042 2.548 43 HG2 GLU 481 HG2 GLU 481 3.098 11.387 3.207 44 HG3 GLU 481 HG1 GLU 481 4.165 11.173 4.593 45 H GLU 482 HN GLU 482 8.745 12.404 3.954 46 HA GLU 482 HA GLU 482 10.119 11.205 5.278 47 HB2 GLU 482 HB2 GLU 482 8.968 12.210 7.160 48 HB3 GLU 482 HB1 GLU 482 7.699 10.997 7.073 49 HG2 GLU 482 HG2 GLU 482 9.215 9.272 7.730 50 HG3 GLU 482 HG1 GLU 482 10.587 10.373 7.631 51 H THR 483 HN THR 483 6.951 9.559 5.438 52 HA THR 483 HA THR 483 8.003 6.947 5.275 53 HB THR 483 HB THR 483 5.273 7.815 4.301 54 HG1 THR 483 HG1 THR 483 5.024 8.478 6.309 55 HG21 THR 483 HG21 THR 483 4.600 5.580 5.037 56 HG22 THR 483 HG22 THR 483 6.255 5.242 5.544 57 HG23 THR 483 HG23 THR 483 5.888 5.486 3.838 58 H GLY 484 HN GLY 484 9.024 6.042 3.608 59 HA2 GLY 484 HA2 GLY 484 9.035 7.433 1.058 60 HA3 GLY 484 HA1 GLY 484 10.119 6.143 1.556 61 H VAL 485 HN VAL 485 6.578 6.170 1.479 62 HA VAL 485 HA VAL 485 6.476 4.523 -0.885 63 HB VAL 485 HB VAL 485 4.983 2.868 0.488 64 HG11 VAL 485 HG11 VAL 485 6.852 1.348 0.771 65 HG12 VAL 485 HG12 VAL 485 7.985 2.692 0.609 66 HG13 VAL 485 HG13 VAL 485 6.985 2.213 -0.763 67 HG21 VAL 485 HG21 VAL 485 5.109 4.026 2.580 68 HG22 VAL 485 HG22 VAL 485 6.869 3.920 2.572 69 HG23 VAL 485 HG23 VAL 485 5.898 2.454 2.739 70 H ARG 486 HN ARG 486 4.297 4.158 -1.597 71 HA ARG 486 HA ARG 486 2.060 5.271 -0.212 72 HB2 ARG 486 HB2 ARG 486 2.931 7.367 -0.974 73 HB3 ARG 486 HB1 ARG 486 3.198 6.740 -2.591 74 HG2 ARG 486 HG2 ARG 486 1.282 8.214 -2.553 75 HG3 ARG 486 HG1 ARG 486 0.782 6.565 -2.924 76 HD2 ARG 486 HD2 ARG 486 -0.095 6.244 -0.736 77 HD3 ARG 486 HD1 ARG 486 0.648 7.740 -0.151 78 HE ARG 486 HE ARG 486 -1.269 8.019 -2.323 79 HH11 ARG 486 HH11 ARG 486 -0.836 8.029 1.163 80 HH12 ARG 486 HH12 ARG 486 -2.112 9.181 1.431 81 HH21 ARG 486 HH21 ARG 486 -2.957 9.499 -1.956 82 HH22 ARG 486 HH22 ARG 486 -3.319 10.012 -0.338 83 H VAL 487 HN VAL 487 0.167 4.478 -1.013 84 HA VAL 487 HA VAL 487 0.430 2.657 -3.305 85 HB VAL 487 HB VAL 487 -1.463 2.455 -0.960 86 HG11 VAL 487 HG11 VAL 487 -2.381 1.481 -3.000 87 HG12 VAL 487 HG12 VAL 487 -1.977 0.233 -1.819 88 HG13 VAL 487 HG13 VAL 487 -0.918 0.518 -3.203 89 HG21 VAL 487 HG21 VAL 487 -0.066 0.525 -0.328 90 HG22 VAL 487 HG22 VAL 487 0.800 2.062 -0.270 91 HG23 VAL 487 HG23 VAL 487 1.055 0.954 -1.619 92 H GLU 488 HN GLU 488 -1.178 2.580 -4.838 93 HA GLU 488 HA GLU 488 -3.273 4.643 -4.698 94 HB2 GLU 488 HB2 GLU 488 -1.427 4.124 -7.034 95 HB3 GLU 488 HB1 GLU 488 -2.836 5.175 -7.086 96 HG2 GLU 488 HG2 GLU 488 -1.828 6.614 -5.397 97 HG3 GLU 488 HG1 GLU 488 -0.419 5.556 -5.335 98 H LEU 489 HN LEU 489 -4.924 4.346 -6.403 99 HA LEU 489 HA LEU 489 -5.756 1.573 -6.424 100 HB2 LEU 489 HB2 LEU 489 -7.121 4.065 -7.427 101 HB3 LEU 489 HB1 LEU 489 -7.847 2.473 -7.370 102 HG LEU 489 HG LEU 489 -6.939 4.036 -4.953 103 HD11 LEU 489 HD11 LEU 489 -8.840 5.081 -6.103 104 HD12 LEU 489 HD12 LEU 489 -9.327 4.384 -4.558 105 HD13 LEU 489 HD13 LEU 489 -9.711 3.545 -6.063 106 HD21 LEU 489 HD21 LEU 489 -6.923 1.570 -4.692 107 HD22 LEU 489 HD22 LEU 489 -8.626 1.539 -5.142 108 HD23 LEU 489 HD23 LEU 489 -8.116 2.369 -3.669 109 H ALA 490 HN ALA 490 -5.554 0.239 -8.091 110 HA ALA 490 HA ALA 490 -4.491 1.091 -10.627 111 HB1 ALA 490 HB1 ALA 490 -4.674 -1.236 -11.264 112 HB2 ALA 490 HB2 ALA 490 -5.683 -1.568 -9.862 113 HB3 ALA 490 HB3 ALA 490 -3.994 -1.125 -9.643 114 H GLU 491 HN GLU 491 -7.493 1.001 -9.216 115 HA GLU 491 HA GLU 491 -8.902 1.345 -11.757 116 HB2 GLU 491 HB2 GLU 491 -10.756 -0.054 -10.867 117 HB3 GLU 491 HB1 GLU 491 -9.276 -0.980 -11.103 118 HG2 GLU 491 HG2 GLU 491 -8.783 -0.634 -8.686 119 HG3 GLU 491 HG1 GLU 491 -10.388 0.064 -8.516 120 H GLU 492 HN GLU 492 -11.037 2.402 -11.353 121 HA GLU 492 HA GLU 492 -10.717 4.429 -9.323 122 HB2 GLU 492 HB2 GLU 492 -12.934 4.005 -11.336 123 HB3 GLU 492 HB1 GLU 492 -12.776 5.404 -10.282 124 HG2 GLU 492 HG2 GLU 492 -10.899 4.558 -12.473 125 HG3 GLU 492 HG1 GLU 492 -11.958 5.970 -12.456 126 H ASP 493 HN ASP 493 -11.363 4.137 -7.317 127 HA ASP 493 HA ASP 493 -13.534 2.224 -6.840 128 HB2 ASP 493 HB2 ASP 493 -11.283 1.545 -5.963 129 HB3 ASP 493 HB1 ASP 493 -11.356 2.938 -4.883 130 H ASP 494 HN ASP 494 -15.315 3.408 -6.605 131 HA ASP 494 HA ASP 494 -15.253 5.797 -4.943 132 HB2 ASP 494 HB2 ASP 494 -16.578 5.736 -7.076 133 HB3 ASP 494 HB1 ASP 494 -17.632 4.539 -6.327 134 H GLY 495 HN GLY 495 -16.237 2.475 -4.898 135 HA2 GLY 495 HA2 GLY 495 -16.026 1.472 -2.657 136 HA3 GLY 495 HA1 GLY 495 -17.015 2.801 -2.065 137 H GLU 496 HN GLU 496 -16.979 -0.339 -2.855 138 HA GLU 496 HA GLU 496 -19.668 -0.881 -2.553 139 HB2 GLU 496 HB2 GLU 496 -20.501 -1.277 -4.767 140 HB3 GLU 496 HB1 GLU 496 -19.824 0.347 -4.749 141 HG2 GLU 496 HG2 GLU 496 -17.749 -0.588 -5.765 142 HG3 GLU 496 HG1 GLU 496 -18.596 -2.122 -5.942 143 H LYS 497 HN LYS 497 -16.656 -1.661 -4.070 144 HA LYS 497 HA LYS 497 -17.074 -4.530 -3.759 145 HB2 LYS 497 HB2 LYS 497 -14.827 -4.472 -5.092 146 HB3 LYS 497 HB1 LYS 497 -16.342 -4.190 -5.924 147 HG2 LYS 497 HG2 LYS 497 -15.867 -1.702 -5.583 148 HG3 LYS 497 HG1 LYS 497 -14.233 -2.202 -5.136 149 HD2 LYS 497 HD2 LYS 497 -13.842 -3.150 -7.268 150 HD3 LYS 497 HD1 LYS 497 -15.548 -3.051 -7.706 151 HE2 LYS 497 HE2 LYS 497 -14.419 -1.307 -8.862 152 HE3 LYS 497 HE1 LYS 497 -15.346 -0.561 -7.564 153 HZ1 LYS 497 HZ1 LYS 497 -13.329 -0.409 -6.244 154 HZ2 LYS 497 HZ2 LYS 497 -13.125 0.369 -7.737 155 HZ3 LYS 497 HZ3 LYS 497 -12.438 -1.159 -7.486 156 H ILE 498 HN ILE 498 -15.994 -5.660 -2.268 157 HA ILE 498 HA ILE 498 -14.680 -4.192 -0.198 158 HB ILE 498 HB ILE 498 -15.164 -7.133 -0.555 159 HG12 ILE 498 HG12 ILE 498 -17.154 -5.685 -0.237 160 HG13 ILE 498 HG11 ILE 498 -16.900 -6.810 1.081 161 HG21 ILE 498 HG21 ILE 498 -13.217 -6.883 0.830 162 HG22 ILE 498 HG22 ILE 498 -14.589 -7.310 1.853 163 HG23 ILE 498 HG23 ILE 498 -14.016 -5.644 1.795 164 HD11 ILE 498 HD11 ILE 498 -17.559 -4.650 1.924 165 HD12 ILE 498 HD12 ILE 498 -16.195 -3.897 1.099 166 HD13 ILE 498 HD13 ILE 498 -15.909 -5.032 2.419 167 H ALA 499 HN ALA 499 -13.742 -6.204 -2.842 168 HA ALA 499 HA ALA 499 -10.944 -6.072 -1.971 169 HB1 ALA 499 HB1 ALA 499 -11.768 -8.303 -2.254 170 HB2 ALA 499 HB2 ALA 499 -10.596 -7.947 -3.528 171 HB3 ALA 499 HB3 ALA 499 -12.328 -7.926 -3.882 172 H ILE 500 HN ILE 500 -9.618 -4.792 -3.010 173 HA ILE 500 HA ILE 500 -10.447 -3.691 -5.611 174 HB ILE 500 HB ILE 500 -9.492 -1.586 -4.985 175 HG12 ILE 500 HG12 ILE 500 -8.667 -2.956 -2.417 176 HG13 ILE 500 HG11 ILE 500 -7.591 -2.356 -3.671 177 HG21 ILE 500 HG21 ILE 500 -10.950 -0.967 -3.130 178 HG22 ILE 500 HG22 ILE 500 -11.170 -2.675 -2.745 179 HG23 ILE 500 HG23 ILE 500 -11.779 -2.030 -4.271 180 HD11 ILE 500 HD11 ILE 500 -7.650 -0.867 -1.760 181 HD12 ILE 500 HD12 ILE 500 -9.392 -0.676 -1.952 182 HD13 ILE 500 HD13 ILE 500 -8.297 -0.080 -3.199 183 H LYS 501 HN LYS 501 -8.345 -2.398 -6.457 184 HA LYS 501 HA LYS 501 -6.088 -4.284 -6.339 185 HB2 LYS 501 HB2 LYS 501 -7.585 -4.255 -8.473 186 HB3 LYS 501 HB1 LYS 501 -6.768 -2.744 -8.824 187 HG2 LYS 501 HG2 LYS 501 -5.750 -4.658 -9.969 188 HG3 LYS 501 HG1 LYS 501 -4.627 -3.867 -8.860 189 HD2 LYS 501 HD2 LYS 501 -4.671 -5.615 -7.357 190 HD3 LYS 501 HD1 LYS 501 -6.258 -6.169 -7.891 191 HE2 LYS 501 HE2 LYS 501 -3.793 -6.352 -9.606 192 HE3 LYS 501 HE1 LYS 501 -4.296 -7.638 -8.509 193 HZ1 LYS 501 HZ1 LYS 501 -6.387 -7.795 -9.699 194 HZ2 LYS 501 HZ2 LYS 501 -5.091 -8.018 -10.762 195 HZ3 LYS 501 HZ3 LYS 501 -5.924 -6.548 -10.744 196 H LEU 502 HN LEU 502 -4.397 -3.316 -5.470 197 HA LEU 502 HA LEU 502 -4.090 -0.397 -5.778 198 HB2 LEU 502 HB2 LEU 502 -3.251 -2.235 -3.539 199 HB3 LEU 502 HB1 LEU 502 -2.835 -0.537 -3.632 200 HG LEU 502 HG LEU 502 -5.694 -1.473 -3.575 201 HD11 LEU 502 HD11 LEU 502 -5.671 -1.031 -1.175 202 HD12 LEU 502 HD12 LEU 502 -3.935 -0.730 -1.244 203 HD13 LEU 502 HD13 LEU 502 -4.566 -2.339 -1.598 204 HD21 LEU 502 HD21 LEU 502 -5.151 0.840 -4.342 205 HD22 LEU 502 HD22 LEU 502 -4.449 1.146 -2.752 206 HD23 LEU 502 HD23 LEU 502 -6.164 0.768 -2.901 207 H TRP 503 HN TRP 503 -1.936 0.422 -6.006 208 HA TRP 503 HA TRP 503 0.140 -1.600 -6.539 209 HB2 TRP 503 HB2 TRP 503 -0.268 1.083 -7.851 210 HB3 TRP 503 HB1 TRP 503 1.239 0.188 -7.955 211 HD1 TRP 503 HD1 TRP 503 -2.480 -0.533 -8.718 212 HE1 TRP 503 HE1 TRP 503 -2.610 -1.805 -10.952 213 HE3 TRP 503 HE3 TRP 503 2.498 -1.042 -9.645 214 HZ2 TRP 503 HZ2 TRP 503 -0.837 -2.889 -12.839 215 HZ3 TRP 503 HZ3 TRP 503 3.199 -2.230 -11.674 216 HH2 TRP 503 HH2 TRP 503 1.571 -3.134 -13.237 217 H LEU 504 HN LEU 504 1.736 -1.578 -5.124 218 HA LEU 504 HA LEU 504 2.053 0.627 -3.282 219 HB2 LEU 504 HB2 LEU 504 2.280 -1.583 -2.404 220 HB3 LEU 504 HB1 LEU 504 3.473 -2.004 -3.607 221 HG LEU 504 HG LEU 504 5.050 -0.404 -2.566 222 HD11 LEU 504 HD11 LEU 504 4.534 0.477 -0.338 223 HD12 LEU 504 HD12 LEU 504 2.885 -0.133 -0.492 224 HD13 LEU 504 HD13 LEU 504 3.463 1.131 -1.578 225 HD21 LEU 504 HD21 LEU 504 3.925 -2.445 -0.656 226 HD22 LEU 504 HD22 LEU 504 5.553 -1.764 -0.627 227 HD23 LEU 504 HD23 LEU 504 5.046 -2.788 -1.971 228 H ARG 505 HN ARG 505 2.822 2.352 -4.351 229 HA ARG 505 HA ARG 505 5.161 2.103 -6.049 230 HB2 ARG 505 HB2 ARG 505 3.153 4.201 -5.519 231 HB3 ARG 505 HB1 ARG 505 4.763 4.746 -5.966 232 HG2 ARG 505 HG2 ARG 505 4.668 3.390 -7.985 233 HG3 ARG 505 HG1 ARG 505 3.059 2.823 -7.534 234 HD2 ARG 505 HD2 ARG 505 2.157 5.017 -7.755 235 HD3 ARG 505 HD1 ARG 505 3.764 5.712 -7.954 236 HE ARG 505 HE ARG 505 3.799 4.199 -10.043 237 HH11 ARG 505 HH11 ARG 505 0.976 5.892 -8.825 238 HH12 ARG 505 HH12 ARG 505 0.238 6.021 -10.398 239 HH21 ARG 505 HH21 ARG 505 2.834 4.395 -12.097 240 HH22 ARG 505 HH22 ARG 505 1.292 5.174 -12.250 241 H ILE 506 HN ILE 506 7.130 2.209 -5.292 242 HA ILE 506 HA ILE 506 7.613 2.971 -2.551 243 HB ILE 506 HB ILE 506 9.744 2.347 -4.578 244 HG12 ILE 506 HG12 ILE 506 8.025 0.567 -4.695 245 HG13 ILE 506 HG11 ILE 506 9.541 -0.019 -4.021 246 HG21 ILE 506 HG21 ILE 506 9.539 2.072 -1.594 247 HG22 ILE 506 HG22 ILE 506 10.583 3.164 -2.506 248 HG23 ILE 506 HG23 ILE 506 10.867 1.423 -2.554 249 HD11 ILE 506 HD11 ILE 506 7.655 -0.925 -2.816 250 HD12 ILE 506 HD12 ILE 506 7.067 0.701 -2.468 251 HD13 ILE 506 HD13 ILE 506 8.590 0.148 -1.773 252 H GLU 507 HN GLU 507 8.227 4.909 -1.857 253 HA GLU 507 HA GLU 507 8.593 7.021 -3.818 254 HB2 GLU 507 HB2 GLU 507 8.031 6.995 -0.858 255 HB3 GLU 507 HB1 GLU 507 8.350 8.469 -1.756 256 HG2 GLU 507 HG2 GLU 507 6.142 6.553 -2.428 257 HG3 GLU 507 HG1 GLU 507 5.944 7.953 -1.375 258 H ASP 508 HN ASP 508 10.261 5.658 -0.984 259 HA ASP 508 HA ASP 508 12.713 6.979 -1.904 260 HB2 ASP 508 HB2 ASP 508 11.603 8.348 -0.080 261 HB3 ASP 508 HB1 ASP 508 11.892 6.993 1.004 262 H ILE 509 HN ILE 509 13.701 5.146 -2.514 263 HA ILE 509 HA ILE 509 13.552 2.745 -0.979 264 HB ILE 509 HB ILE 509 15.125 1.834 -2.658 265 HG12 ILE 509 HG12 ILE 509 15.200 3.505 -4.753 266 HG13 ILE 509 HG11 ILE 509 15.242 4.690 -3.454 267 HG21 ILE 509 HG21 ILE 509 12.686 3.268 -3.663 268 HG22 ILE 509 HG22 ILE 509 12.784 1.622 -3.029 269 HG23 ILE 509 HG23 ILE 509 13.552 2.023 -4.566 270 HD11 ILE 509 HD11 ILE 509 17.479 4.174 -4.111 271 HD12 ILE 509 HD12 ILE 509 17.182 2.447 -3.921 272 HD13 ILE 509 HD13 ILE 509 17.192 3.500 -2.506 273 H LYS 510 HN LYS 510 15.467 5.495 -0.761 274 HA LYS 510 HA LYS 510 17.892 4.242 0.096 275 HB2 LYS 510 HB2 LYS 510 16.877 7.074 0.287 276 HB3 LYS 510 HB1 LYS 510 18.465 6.577 0.846 277 HG2 LYS 510 HG2 LYS 510 17.459 6.334 -1.981 278 HG3 LYS 510 HG1 LYS 510 18.541 7.591 -1.379 279 HD2 LYS 510 HD2 LYS 510 20.191 5.870 -0.793 280 HD3 LYS 510 HD1 LYS 510 19.112 4.627 -1.429 281 HE2 LYS 510 HE2 LYS 510 19.232 5.650 -3.641 282 HE3 LYS 510 HE1 LYS 510 20.296 6.907 -3.010 283 HZ1 LYS 510 HZ1 LYS 510 20.910 4.004 -3.064 284 HZ2 LYS 510 HZ2 LYS 510 21.937 5.222 -2.502 285 HZ3 LYS 510 HZ3 LYS 510 21.526 5.155 -4.137 286 H LYS 511 HN LYS 511 14.903 5.002 1.572 287 HA LYS 511 HA LYS 511 15.896 4.951 4.270 288 HB2 LYS 511 HB2 LYS 511 13.216 5.094 2.950 289 HB3 LYS 511 HB1 LYS 511 13.336 4.765 4.660 290 HG2 LYS 511 HG2 LYS 511 14.463 7.186 3.291 291 HG3 LYS 511 HG1 LYS 511 12.930 7.136 4.161 292 HD2 LYS 511 HD2 LYS 511 15.418 6.263 5.543 293 HD3 LYS 511 HD1 LYS 511 15.119 7.986 5.339 294 HE2 LYS 511 HE2 LYS 511 14.277 7.344 7.475 295 HE3 LYS 511 HE1 LYS 511 12.898 7.648 6.425 296 HZ1 LYS 511 HZ1 LYS 511 12.622 5.281 6.132 297 HZ2 LYS 511 HZ2 LYS 511 12.621 5.653 7.779 298 HZ3 LYS 511 HZ3 LYS 511 13.991 4.963 7.073 299 H LEU 512 HN LEU 512 15.029 2.680 1.906 300 HA LEU 512 HA LEU 512 14.039 0.702 3.797 301 HB2 LEU 512 HB2 LEU 512 14.417 0.348 0.836 302 HB3 LEU 512 HB1 LEU 512 13.343 -0.535 1.905 303 HG LEU 512 HG LEU 512 13.034 2.356 1.090 304 HD11 LEU 512 HD11 LEU 512 11.073 1.557 -0.122 305 HD12 LEU 512 HD12 LEU 512 11.478 -0.101 0.322 306 HD13 LEU 512 HD13 LEU 512 12.560 0.822 -0.720 307 HD21 LEU 512 HD21 LEU 512 12.205 1.960 3.352 308 HD22 LEU 512 HD22 LEU 512 11.227 0.614 2.764 309 HD23 LEU 512 HD23 LEU 512 10.883 2.260 2.225 310 H LYS 513 HN LYS 513 14.955 -1.366 4.025 311 HA LYS 513 HA LYS 513 17.853 -1.403 3.471 312 HB2 LYS 513 HB2 LYS 513 16.281 -2.837 5.614 313 HB3 LYS 513 HB1 LYS 513 18.011 -2.991 5.362 314 HG2 LYS 513 HG2 LYS 513 16.547 -0.477 6.126 315 HG3 LYS 513 HG1 LYS 513 17.515 -1.488 7.200 316 HD2 LYS 513 HD2 LYS 513 19.490 -1.031 5.788 317 HD3 LYS 513 HD1 LYS 513 18.503 0.040 4.795 318 HE2 LYS 513 HE2 LYS 513 19.078 0.380 7.735 319 HE3 LYS 513 HE1 LYS 513 19.809 1.305 6.426 320 HZ1 LYS 513 HZ1 LYS 513 16.924 1.277 7.134 321 HZ2 LYS 513 HZ2 LYS 513 17.615 2.155 5.861 322 HZ3 LYS 513 HZ3 LYS 513 18.014 2.530 7.458 323 H GLY 514 HN GLY 514 16.590 -2.090 1.320 324 HA2 GLY 514 HA2 GLY 514 17.146 -4.903 1.012 325 HA3 GLY 514 HA1 GLY 514 15.446 -4.492 0.835 326 H LYS 515 HN LYS 515 16.048 -5.461 -1.362 327 HA LYS 515 HA LYS 515 17.394 -3.558 -3.116 328 HB2 LYS 515 HB2 LYS 515 17.916 -5.964 -3.304 329 HB3 LYS 515 HB1 LYS 515 16.240 -6.281 -3.723 330 HG2 LYS 515 HG2 LYS 515 17.601 -6.273 -5.712 331 HG3 LYS 515 HG1 LYS 515 16.497 -4.898 -5.736 332 HD2 LYS 515 HD2 LYS 515 18.292 -3.426 -4.995 333 HD3 LYS 515 HD1 LYS 515 19.397 -4.799 -4.909 334 HE2 LYS 515 HE2 LYS 515 18.061 -3.717 -7.386 335 HE3 LYS 515 HE1 LYS 515 19.763 -3.561 -6.959 336 HZ1 LYS 515 HZ1 LYS 515 18.307 -6.050 -7.650 337 HZ2 LYS 515 HZ2 LYS 515 19.870 -6.035 -7.008 338 HZ3 LYS 515 HZ3 LYS 515 19.569 -5.322 -8.510 339 H TYR 516 HN TYR 516 16.126 -1.900 -3.636 340 HA TYR 516 HA TYR 516 13.551 -2.484 -4.914 341 HB2 TYR 516 HB2 TYR 516 13.982 -0.167 -3.015 342 HB3 TYR 516 HB1 TYR 516 12.478 -0.610 -3.814 343 HD1 TYR 516 HD1 TYR 516 11.218 -2.549 -3.074 344 HD2 TYR 516 HD2 TYR 516 14.735 -1.315 -1.041 345 HE1 TYR 516 HE1 TYR 516 10.568 -3.916 -1.146 346 HE2 TYR 516 HE2 TYR 516 14.094 -2.680 0.905 347 HH TYR 516 HH TYR 516 11.382 -4.898 0.770 348 H LYS 517 HN LYS 517 12.773 -0.508 -6.134 349 HA LYS 517 HA LYS 517 15.029 1.066 -7.192 350 HB2 LYS 517 HB2 LYS 517 12.679 -0.079 -8.716 351 HB3 LYS 517 HB1 LYS 517 13.854 1.039 -9.390 352 HG2 LYS 517 HG2 LYS 517 15.620 -0.671 -8.892 353 HG3 LYS 517 HG1 LYS 517 14.315 -1.788 -8.483 354 HD2 LYS 517 HD2 LYS 517 14.757 -0.431 -11.143 355 HD3 LYS 517 HD1 LYS 517 15.018 -2.136 -10.780 356 HE2 LYS 517 HE2 LYS 517 12.640 -2.427 -10.348 357 HE3 LYS 517 HE1 LYS 517 12.361 -0.711 -10.634 358 HZ1 LYS 517 HZ1 LYS 517 13.341 -2.672 -12.635 359 HZ2 LYS 517 HZ2 LYS 517 13.122 -1.022 -12.915 360 HZ3 LYS 517 HZ3 LYS 517 11.789 -2.001 -12.577 361 H ASP 518 HN ASP 518 14.481 3.211 -7.900 362 HA ASP 518 HA ASP 518 12.447 4.383 -6.223 363 HB2 ASP 518 HB2 ASP 518 13.359 6.534 -6.902 364 HB3 ASP 518 HB1 ASP 518 14.673 5.447 -6.475 365 H ASN 519 HN ASN 519 11.554 2.723 -8.329 366 HA ASN 519 HA ASN 519 9.513 4.387 -9.415 367 HB2 ASN 519 HB2 ASN 519 9.920 3.879 -11.781 368 HB3 ASN 519 HB1 ASN 519 11.275 4.767 -11.098 369 HD21 ASN 519 HD21 ASN 519 11.081 2.972 -13.431 370 HD22 ASN 519 HD22 ASN 519 12.286 1.757 -13.179 371 H GLU 520 HN GLU 520 9.944 2.017 -7.716 372 HA GLU 520 HA GLU 520 8.844 -0.174 -9.271 373 HB2 GLU 520 HB2 GLU 520 10.685 -0.673 -7.749 374 HB3 GLU 520 HB1 GLU 520 9.770 -0.026 -6.395 375 HG2 GLU 520 HG2 GLU 520 9.709 -2.421 -6.333 376 HG3 GLU 520 HG1 GLU 520 8.099 -1.807 -6.706 377 H ALA 521 HN ALA 521 6.851 -0.994 -9.008 378 HA ALA 521 HA ALA 521 5.127 -0.014 -6.872 379 HB1 ALA 521 HB1 ALA 521 4.702 1.514 -8.749 380 HB2 ALA 521 HB2 ALA 521 3.298 0.512 -8.383 381 HB3 ALA 521 HB3 ALA 521 4.312 0.134 -9.777 382 H ILE 522 HN ILE 522 4.484 -1.705 -5.920 383 HA ILE 522 HA ILE 522 4.240 -4.235 -7.319 384 HB ILE 522 HB ILE 522 4.032 -3.560 -4.392 385 HG12 ILE 522 HG12 ILE 522 6.310 -4.777 -5.957 386 HG13 ILE 522 HG11 ILE 522 6.255 -3.126 -5.366 387 HG21 ILE 522 HG21 ILE 522 2.828 -5.609 -4.933 388 HG22 ILE 522 HG22 ILE 522 4.298 -5.984 -4.032 389 HG23 ILE 522 HG23 ILE 522 4.245 -6.234 -5.777 390 HD11 ILE 522 HD11 ILE 522 6.335 -3.861 -3.099 391 HD12 ILE 522 HD12 ILE 522 7.629 -4.666 -3.990 392 HD13 ILE 522 HD13 ILE 522 6.152 -5.544 -3.590 393 H GLU 523 HN GLU 523 2.346 -4.427 -8.345 394 HA GLU 523 HA GLU 523 -0.134 -3.352 -7.385 395 HB2 GLU 523 HB2 GLU 523 0.061 -3.545 -9.715 396 HB3 GLU 523 HB1 GLU 523 0.639 -5.198 -9.639 397 HG2 GLU 523 HG2 GLU 523 -1.650 -5.813 -8.745 398 HG3 GLU 523 HG1 GLU 523 -2.147 -4.168 -9.146 399 H PHE 524 HN PHE 524 -1.490 -4.250 -5.952 400 HA PHE 524 HA PHE 524 -1.608 -7.149 -5.669 401 HB2 PHE 524 HB2 PHE 524 -1.469 -7.057 -3.214 402 HB3 PHE 524 HB1 PHE 524 0.015 -6.476 -3.959 403 HD1 PHE 524 HD2 PHE 524 0.525 -4.036 -3.944 404 HD2 PHE 524 HD1 PHE 524 -2.789 -5.676 -1.832 405 HE1 PHE 524 HE2 PHE 524 0.388 -1.997 -2.574 406 HE2 PHE 524 HE1 PHE 524 -2.922 -3.639 -0.459 407 HZ PHE 524 HZ PHE 524 -1.326 -1.798 -0.824 408 H SER 525 HN SER 525 -3.604 -7.911 -5.054 409 HA SER 525 HA SER 525 -5.775 -5.986 -5.078 410 HB2 SER 525 HB2 SER 525 -7.140 -8.196 -4.869 411 HB3 SER 525 HB1 SER 525 -6.294 -7.862 -6.379 412 HG SER 525 HG SER 525 -5.097 -9.549 -6.056 413 H PHE 526 HN PHE 526 -7.091 -5.485 -3.326 414 HA PHE 526 HA PHE 526 -6.181 -6.629 -0.761 415 HB2 PHE 526 HB2 PHE 526 -5.317 -4.269 -1.286 416 HB3 PHE 526 HB1 PHE 526 -6.985 -3.744 -1.114 417 HD1 PHE 526 HD2 PHE 526 -4.070 -5.099 0.632 418 HD2 PHE 526 HD1 PHE 526 -8.036 -3.633 1.032 419 HE1 PHE 526 HE2 PHE 526 -3.752 -4.919 3.065 420 HE2 PHE 526 HE1 PHE 526 -7.726 -3.445 3.465 421 HZ PHE 526 HZ PHE 526 -5.584 -4.091 4.482 422 H ASP 527 HN ASP 527 -7.791 -7.720 0.087 423 HA ASP 527 HA ASP 527 -10.541 -6.869 -0.220 424 HB2 ASP 527 HB2 ASP 527 -9.778 -9.286 0.020 425 HB3 ASP 527 HB1 ASP 527 -9.457 -8.924 1.709 426 H LEU 528 HN LEU 528 -11.138 -5.105 0.826 427 HA LEU 528 HA LEU 528 -9.548 -3.876 2.775 428 HB2 LEU 528 HB2 LEU 528 -12.375 -3.363 1.895 429 HB3 LEU 528 HB1 LEU 528 -11.495 -2.312 2.982 430 HG LEU 528 HG LEU 528 -10.512 -2.969 0.210 431 HD11 LEU 528 HD11 LEU 528 -12.689 -1.883 0.054 432 HD12 LEU 528 HD12 LEU 528 -11.396 -0.800 -0.465 433 HD13 LEU 528 HD13 LEU 528 -12.128 -0.598 1.127 434 HD21 LEU 528 HD21 LEU 528 -9.847 -0.673 2.037 435 HD22 LEU 528 HD22 LEU 528 -9.079 -1.079 0.501 436 HD23 LEU 528 HD23 LEU 528 -8.875 -2.135 1.896 437 H GLU 529 HN GLU 529 -11.869 -6.334 3.186 438 HA GLU 529 HA GLU 529 -12.242 -5.568 5.993 439 HB2 GLU 529 HB2 GLU 529 -13.857 -7.449 4.272 440 HB3 GLU 529 HB1 GLU 529 -14.162 -7.135 5.975 441 HG2 GLU 529 HG2 GLU 529 -14.290 -5.123 3.745 442 HG3 GLU 529 HG1 GLU 529 -15.665 -5.856 4.566 443 H ARG 530 HN ARG 530 -11.424 -8.335 3.912 444 HA ARG 530 HA ARG 530 -10.753 -10.004 6.159 445 HB2 ARG 530 HB2 ARG 530 -10.529 -10.299 3.177 446 HB3 ARG 530 HB1 ARG 530 -9.846 -11.484 4.273 447 HG2 ARG 530 HG2 ARG 530 -12.022 -11.948 5.195 448 HG3 ARG 530 HG1 ARG 530 -12.737 -10.679 4.205 449 HD2 ARG 530 HD2 ARG 530 -13.063 -12.974 3.294 450 HD3 ARG 530 HD1 ARG 530 -12.237 -11.875 2.191 451 HE ARG 530 HE ARG 530 -10.294 -13.252 3.658 452 HH11 ARG 530 HH11 ARG 530 -12.759 -13.944 1.267 453 HH12 ARG 530 HH12 ARG 530 -11.880 -15.257 0.555 454 HH21 ARG 530 HH21 ARG 530 -9.133 -14.978 2.730 455 HH22 ARG 530 HH22 ARG 530 -9.818 -15.862 1.401 456 H ASP 531 HN ASP 531 -8.926 -8.377 3.568 457 HA ASP 531 HA ASP 531 -6.451 -9.504 4.470 458 HB2 ASP 531 HB2 ASP 531 -7.098 -7.470 2.345 459 HB3 ASP 531 HB1 ASP 531 -5.446 -7.930 2.743 460 H VAL 532 HN VAL 532 -4.734 -8.504 5.373 461 HA VAL 532 HA VAL 532 -5.236 -5.885 6.627 462 HB VAL 532 HB VAL 532 -3.658 -8.257 7.662 463 HG11 VAL 532 HG11 VAL 532 -3.966 -5.544 8.940 464 HG12 VAL 532 HG12 VAL 532 -2.493 -6.155 8.189 465 HG13 VAL 532 HG13 VAL 532 -3.139 -6.940 9.630 466 HG21 VAL 532 HG21 VAL 532 -6.037 -8.485 7.973 467 HG22 VAL 532 HG22 VAL 532 -6.134 -6.867 8.665 468 HG23 VAL 532 HG23 VAL 532 -5.275 -8.143 9.527 469 HA PRO 533 HA PRO 533 -1.944 -4.254 4.178 470 HB2 PRO 533 HB2 PRO 533 -1.292 -2.815 6.719 471 HB3 PRO 533 HB1 PRO 533 -1.481 -2.173 5.083 472 HG2 PRO 533 HG2 PRO 533 -3.428 -1.844 6.834 473 HG3 PRO 533 HG1 PRO 533 -3.815 -2.301 5.167 474 HD2 PRO 533 HD2 PRO 533 -3.759 -3.980 7.638 475 HD3 PRO 533 HD1 PRO 533 -4.911 -4.004 6.289 476 H GLU 534 HN GLU 534 -1.083 -4.957 7.565 477 HA GLU 534 HA GLU 534 1.615 -5.524 7.144 478 HB2 GLU 534 HB2 GLU 534 -0.276 -6.589 9.237 479 HB3 GLU 534 HB1 GLU 534 1.470 -6.753 9.288 480 HG2 GLU 534 HG2 GLU 534 1.248 -4.926 10.593 481 HG3 GLU 534 HG1 GLU 534 1.377 -4.133 9.031 482 H ASP 535 HN ASP 535 -1.235 -7.554 6.837 483 HA ASP 535 HA ASP 535 0.113 -10.044 6.660 484 HB2 ASP 535 HB2 ASP 535 -2.261 -9.932 7.192 485 HB3 ASP 535 HB1 ASP 535 -2.603 -9.178 5.644 486 H VAL 536 HN VAL 536 -1.147 -7.786 4.266 487 HA VAL 536 HA VAL 536 -0.384 -9.215 1.968 488 HB VAL 536 HB VAL 536 -0.754 -6.240 2.344 489 HG11 VAL 536 HG11 VAL 536 -0.987 -6.095 -0.061 490 HG12 VAL 536 HG12 VAL 536 -0.707 -7.834 -0.217 491 HG13 VAL 536 HG13 VAL 536 0.591 -6.778 0.344 492 HG21 VAL 536 HG21 VAL 536 -2.729 -7.590 2.874 493 HG22 VAL 536 HG22 VAL 536 -2.627 -8.350 1.282 494 HG23 VAL 536 HG23 VAL 536 -2.969 -6.626 1.413 495 H ALA 537 HN ALA 537 1.323 -6.775 3.893 496 HA ALA 537 HA ALA 537 3.560 -6.562 2.188 497 HB1 ALA 537 HB1 ALA 537 4.688 -5.484 4.011 498 HB2 ALA 537 HB2 ALA 537 3.522 -6.132 5.169 499 HB3 ALA 537 HB3 ALA 537 3.008 -4.939 3.975 500 H GLN 538 HN GLN 538 2.682 -8.896 4.647 501 HA GLN 538 HA GLN 538 5.231 -10.152 4.812 502 HB2 GLN 538 HB2 GLN 538 2.442 -10.990 5.525 503 HB3 GLN 538 HB1 GLN 538 3.741 -12.174 5.534 504 HG2 GLN 538 HG2 GLN 538 3.733 -9.610 7.104 505 HG3 GLN 538 HG1 GLN 538 3.317 -11.197 7.747 506 HE21 GLN 538 HE21 GLN 538 5.333 -12.590 6.223 507 HE22 GLN 538 HE22 GLN 538 6.857 -12.209 6.944 508 H GLU 539 HN GLU 539 2.352 -10.711 2.827 509 HA GLU 539 HA GLU 539 3.309 -12.862 1.308 510 HB2 GLU 539 HB2 GLU 539 1.624 -10.564 0.279 511 HB3 GLU 539 HB1 GLU 539 1.703 -12.187 -0.387 512 HG2 GLU 539 HG2 GLU 539 0.676 -11.582 2.370 513 HG3 GLU 539 HG1 GLU 539 -0.351 -11.641 0.939 514 H MET 540 HN MET 540 3.633 -9.383 0.904 515 HA MET 540 HA MET 540 5.101 -9.265 -1.440 516 HB2 MET 540 HB2 MET 540 5.158 -7.527 1.010 517 HB3 MET 540 HB1 MET 540 6.055 -7.147 -0.454 518 HG2 MET 540 HG2 MET 540 3.991 -7.132 -1.728 519 HG3 MET 540 HG1 MET 540 3.086 -7.520 -0.268 520 HE1 MET 540 HE1 MET 540 2.752 -5.145 -2.379 521 HE2 MET 540 HE2 MET 540 2.296 -3.798 -1.335 522 HE3 MET 540 HE3 MET 540 1.598 -5.397 -1.071 523 H VAL 541 HN VAL 541 6.225 -9.631 1.886 524 HA VAL 541 HA VAL 541 8.983 -9.675 1.349 525 HB VAL 541 HB VAL 541 7.445 -10.949 3.621 526 HG11 VAL 541 HG11 VAL 541 10.396 -10.349 3.416 527 HG12 VAL 541 HG12 VAL 541 9.668 -11.953 3.360 528 HG13 VAL 541 HG13 VAL 541 9.559 -10.986 4.831 529 HG21 VAL 541 HG21 VAL 541 8.921 -8.322 3.470 530 HG22 VAL 541 HG22 VAL 541 8.062 -8.961 4.873 531 HG23 VAL 541 HG23 VAL 541 7.169 -8.518 3.417 532 H GLU 542 HN GLU 542 6.647 -12.335 1.769 533 HA GLU 542 HA GLU 542 8.549 -14.393 1.466 534 HB2 GLU 542 HB2 GLU 542 5.567 -14.425 1.014 535 HB3 GLU 542 HB1 GLU 542 6.585 -15.858 1.094 536 HG2 GLU 542 HG2 GLU 542 7.269 -15.059 3.402 537 HG3 GLU 542 HG1 GLU 542 5.933 -13.915 3.280 538 H SER 543 HN SER 543 6.571 -12.655 -0.854 539 HA SER 543 HA SER 543 7.055 -14.469 -2.995 540 HB2 SER 543 HB2 SER 543 6.115 -11.595 -3.104 541 HB3 SER 543 HB1 SER 543 5.999 -12.773 -4.412 542 HG SER 543 HG SER 543 4.711 -12.888 -1.877 543 H GLY 544 HN GLY 544 8.930 -11.989 -1.576 544 HA2 GLY 544 HA2 GLY 544 11.236 -11.759 -2.104 545 HA3 GLY 544 HA1 GLY 544 10.889 -12.297 -3.738 546 H TYR 545 HN TYR 545 8.683 -9.990 -2.572 547 HA TYR 545 HA TYR 545 9.779 -7.975 -4.357 548 HB2 TYR 545 HB2 TYR 545 7.254 -8.081 -2.705 549 HB3 TYR 545 HB1 TYR 545 7.722 -6.694 -3.673 550 HD1 TYR 545 HD2 TYR 545 8.263 -7.263 -6.204 551 HD2 TYR 545 HD1 TYR 545 5.827 -9.631 -3.647 552 HE1 TYR 545 HE2 TYR 545 7.158 -8.238 -8.171 553 HE2 TYR 545 HE1 TYR 545 4.715 -10.614 -5.606 554 HH TYR 545 HH TYR 545 5.913 -10.305 -8.746 555 H VAL 546 HN VAL 546 9.041 -8.382 -0.946 556 HA VAL 546 HA VAL 546 10.496 -5.890 -0.355 557 HB VAL 546 HB VAL 546 8.134 -7.089 1.111 558 HG11 VAL 546 HG11 VAL 546 9.711 -5.988 2.629 559 HG12 VAL 546 HG12 VAL 546 8.172 -5.136 2.521 560 HG13 VAL 546 HG13 VAL 546 9.585 -4.514 1.667 561 HG21 VAL 546 HG21 VAL 546 7.611 -6.000 -1.061 562 HG22 VAL 546 HG22 VAL 546 8.307 -4.507 -0.431 563 HG23 VAL 546 HG23 VAL 546 6.874 -5.202 0.329 564 H CYS 547 HN CYS 547 11.907 -5.899 1.353 565 HA CYS 547 HA CYS 547 12.753 -8.457 2.419 566 HB2 CYS 547 HB2 CYS 547 14.450 -6.771 1.863 567 HB3 CYS 547 HB1 CYS 547 13.704 -5.627 2.973 568 HG CYS 547 HG CYS 547 15.930 -8.005 3.570 569 H GLU 548 HN GLU 548 12.497 -9.101 4.558 570 HA GLU 548 HA GLU 548 9.998 -8.418 5.654 571 HB2 GLU 548 HB2 GLU 548 11.102 -10.645 5.847 572 HB3 GLU 548 HB1 GLU 548 12.226 -9.946 6.991 573 HG2 GLU 548 HG2 GLU 548 10.394 -9.439 8.509 574 HG3 GLU 548 HG1 GLU 548 9.247 -10.121 7.355 575 H GLY 549 HN GLY 549 13.095 -7.035 6.105 576 HA2 GLY 549 HA2 GLY 549 12.533 -5.872 8.682 577 HA3 GLY 549 HA1 GLY 549 13.891 -5.489 7.636 578 H ASP 550 HN ASP 550 11.638 -5.133 5.476 579 HA ASP 550 HA ASP 550 11.047 -2.339 6.198 580 HB2 ASP 550 HB2 ASP 550 11.005 -3.669 3.475 581 HB3 ASP 550 HB1 ASP 550 10.679 -1.973 3.792 582 H HIS 551 HN HIS 551 9.678 -5.039 6.758 583 HA HIS 551 HA HIS 551 7.290 -5.316 5.380 584 HB2 HIS 551 HB2 HIS 551 7.993 -7.054 6.849 585 HB3 HIS 551 HB1 HIS 551 8.069 -5.967 8.227 586 HD1 HIS 551 HD1 HIS 551 6.043 -5.851 9.681 587 HD2 HIS 551 HD2 HIS 551 5.262 -7.660 6.022 588 HE1 HIS 551 HE1 HIS 551 3.691 -6.711 9.841 589 HE2 HIS 551 HE2 HIS 551 3.294 -7.936 7.681 590 H LYS 552 HN LYS 552 7.891 -3.441 8.363 591 HA LYS 552 HA LYS 552 5.214 -2.615 8.704 592 HB2 LYS 552 HB2 LYS 552 7.789 -1.387 9.681 593 HB3 LYS 552 HB1 LYS 552 6.195 -0.837 10.175 594 HG2 LYS 552 HG2 LYS 552 5.730 -3.051 11.114 595 HG3 LYS 552 HG1 LYS 552 7.341 -3.581 10.631 596 HD2 LYS 552 HD2 LYS 552 7.361 -2.992 12.967 597 HD3 LYS 552 HD1 LYS 552 8.311 -1.815 12.060 598 HE2 LYS 552 HE2 LYS 552 6.928 -0.692 13.706 599 HE3 LYS 552 HE1 LYS 552 6.399 -0.273 12.080 600 HZ1 LYS 552 HZ1 LYS 552 4.533 -0.739 13.549 601 HZ2 LYS 552 HZ2 LYS 552 5.118 -2.297 13.838 602 HZ3 LYS 552 HZ3 LYS 552 4.597 -1.864 12.290 603 H THR 553 HN THR 553 7.939 -1.157 7.013 604 HA THR 553 HA THR 553 6.804 1.343 6.479 605 HB THR 553 HB THR 553 8.740 -0.182 4.728 606 HG1 THR 553 HG1 THR 553 10.335 0.614 6.056 607 HG21 THR 553 HG21 THR 553 9.538 2.056 4.101 608 HG22 THR 553 HG22 THR 553 8.274 2.781 5.096 609 HG23 THR 553 HG23 THR 553 7.841 1.829 3.676 610 H MET 554 HN MET 554 6.742 -1.676 4.631 611 HA MET 554 HA MET 554 5.304 -0.614 2.421 612 HB2 MET 554 HB2 MET 554 5.610 -3.471 3.353 613 HB3 MET 554 HB1 MET 554 5.012 -2.973 1.778 614 HG2 MET 554 HG2 MET 554 7.767 -2.565 2.893 615 HG3 MET 554 HG1 MET 554 7.289 -3.617 1.564 616 HE1 MET 554 HE1 MET 554 9.356 -2.473 0.264 617 HE2 MET 554 HE2 MET 554 9.640 -1.335 1.583 618 HE3 MET 554 HE3 MET 554 9.454 -0.742 -0.067 619 H ALA 555 HN ALA 555 4.388 -2.517 5.251 620 HA ALA 555 HA ALA 555 1.654 -2.768 4.702 621 HB1 ALA 555 HB1 ALA 555 2.856 -4.024 6.457 622 HB2 ALA 555 HB2 ALA 555 1.397 -3.242 7.066 623 HB3 ALA 555 HB3 ALA 555 2.979 -2.541 7.406 624 H LYS 556 HN LYS 556 3.526 -0.209 6.202 625 HA LYS 556 HA LYS 556 1.347 1.313 7.135 626 HB2 LYS 556 HB2 LYS 556 3.713 1.516 7.905 627 HB3 LYS 556 HB1 LYS 556 4.095 2.288 6.370 628 HG2 LYS 556 HG2 LYS 556 3.775 3.914 8.156 629 HG3 LYS 556 HG1 LYS 556 2.573 4.095 6.876 630 HD2 LYS 556 HD2 LYS 556 0.906 2.984 8.196 631 HD3 LYS 556 HD1 LYS 556 2.099 2.576 9.433 632 HE2 LYS 556 HE2 LYS 556 1.289 5.376 8.668 633 HE3 LYS 556 HE1 LYS 556 0.662 4.490 10.057 634 HZ1 LYS 556 HZ1 LYS 556 2.443 5.970 10.710 635 HZ2 LYS 556 HZ2 LYS 556 3.500 5.243 9.613 636 HZ3 LYS 556 HZ3 LYS 556 2.919 4.363 10.933 637 H ALA 557 HN ALA 557 3.149 1.268 4.117 638 HA ALA 557 HA ALA 557 1.941 3.505 2.906 639 HB1 ALA 557 HB1 ALA 557 3.958 2.307 2.068 640 HB2 ALA 557 HB2 ALA 557 2.739 2.605 0.831 641 HB3 ALA 557 HB3 ALA 557 2.903 0.998 1.538 642 H ILE 558 HN ILE 558 1.146 0.065 2.839 643 HA ILE 558 HA ILE 558 -1.153 0.205 1.259 644 HB ILE 558 HB ILE 558 -0.464 -1.735 3.470 645 HG12 ILE 558 HG12 ILE 558 0.014 -1.928 0.501 646 HG13 ILE 558 HG11 ILE 558 1.236 -1.500 1.667 647 HG21 ILE 558 HG21 ILE 558 -2.472 -1.907 1.234 648 HG22 ILE 558 HG22 ILE 558 -2.776 -1.991 2.972 649 HG23 ILE 558 HG23 ILE 558 -1.915 -3.302 2.161 650 HD11 ILE 558 HD11 ILE 558 -0.228 -4.120 1.532 651 HD12 ILE 558 HD12 ILE 558 0.992 -3.687 2.729 652 HD13 ILE 558 HD13 ILE 558 1.436 -3.822 1.028 653 H LYS 559 HN LYS 559 -0.777 0.253 4.792 654 HA LYS 559 HA LYS 559 -3.525 0.513 5.387 655 HB2 LYS 559 HB2 LYS 559 -1.714 -0.236 6.951 656 HB3 LYS 559 HB1 LYS 559 -1.160 1.428 7.036 657 HG2 LYS 559 HG2 LYS 559 -3.216 2.117 8.064 658 HG3 LYS 559 HG1 LYS 559 -3.904 0.506 7.851 659 HD2 LYS 559 HD2 LYS 559 -1.476 1.144 9.530 660 HD3 LYS 559 HD1 LYS 559 -3.108 0.919 10.157 661 HE2 LYS 559 HE2 LYS 559 -3.111 -1.368 9.212 662 HE3 LYS 559 HE1 LYS 559 -1.441 -1.131 8.705 663 HZ1 LYS 559 HZ1 LYS 559 -1.577 -2.344 10.789 664 HZ2 LYS 559 HZ2 LYS 559 -2.417 -1.059 11.507 665 HZ3 LYS 559 HZ3 LYS 559 -0.814 -0.848 11.015 666 H ASP 560 HN ASP 560 -1.016 2.785 4.604 667 HA ASP 560 HA ASP 560 -2.216 5.196 5.326 668 HB2 ASP 560 HB2 ASP 560 0.097 5.104 4.669 669 HB3 ASP 560 HB1 ASP 560 -0.335 4.504 3.079 670 H ARG 561 HN ARG 561 -2.220 3.628 2.114 671 HA ARG 561 HA ARG 561 -4.060 5.445 0.978 672 HB2 ARG 561 HB2 ARG 561 -2.567 4.070 -0.386 673 HB3 ARG 561 HB1 ARG 561 -3.383 2.613 0.157 674 HG2 ARG 561 HG2 ARG 561 -4.040 3.362 -2.122 675 HG3 ARG 561 HG1 ARG 561 -5.384 3.219 -0.988 676 HD2 ARG 561 HD2 ARG 561 -5.362 5.608 -0.618 677 HD3 ARG 561 HD1 ARG 561 -3.964 5.783 -1.665 678 HE ARG 561 HE ARG 561 -5.533 4.899 -3.463 679 HH11 ARG 561 HH11 ARG 561 -6.638 6.761 -0.710 680 HH12 ARG 561 HH12 ARG 561 -7.962 7.484 -1.566 681 HH21 ARG 561 HH21 ARG 561 -7.282 5.881 -4.593 682 HH22 ARG 561 HH22 ARG 561 -8.312 7.004 -3.763 683 H VAL 562 HN VAL 562 -4.495 2.256 2.470 684 HA VAL 562 HA VAL 562 -7.180 1.900 1.787 685 HB VAL 562 HB VAL 562 -5.618 0.818 4.135 686 HG11 VAL 562 HG11 VAL 562 -8.311 0.017 3.056 687 HG12 VAL 562 HG12 VAL 562 -7.967 0.695 4.647 688 HG13 VAL 562 HG13 VAL 562 -7.380 -0.915 4.227 689 HG21 VAL 562 HG21 VAL 562 -5.350 -1.158 2.802 690 HG22 VAL 562 HG22 VAL 562 -4.814 0.230 1.850 691 HG23 VAL 562 HG23 VAL 562 -6.391 -0.503 1.534 692 H SER 563 HN SER 563 -5.683 3.634 4.458 693 HA SER 563 HA SER 563 -7.925 4.059 6.054 694 HB2 SER 563 HB2 SER 563 -5.598 4.663 6.686 695 HB3 SER 563 HB1 SER 563 -5.656 6.003 5.540 696 HG SER 563 HG SER 563 -6.661 5.825 8.062 697 H LEU 564 HN LEU 564 -6.608 6.234 3.535 698 HA LEU 564 HA LEU 564 -8.657 8.052 3.344 699 HB2 LEU 564 HB2 LEU 564 -6.823 6.899 1.259 700 HB3 LEU 564 HB1 LEU 564 -7.946 8.185 0.898 701 HG LEU 564 HG LEU 564 -6.816 9.537 2.683 702 HD11 LEU 564 HD11 LEU 564 -4.860 7.285 2.538 703 HD12 LEU 564 HD12 LEU 564 -5.719 7.885 3.957 704 HD13 LEU 564 HD13 LEU 564 -4.483 8.877 3.191 705 HD21 LEU 564 HD21 LEU 564 -4.988 10.188 1.232 706 HD22 LEU 564 HD22 LEU 564 -6.425 9.839 0.272 707 HD23 LEU 564 HD23 LEU 564 -5.114 8.657 0.363 708 H ILE 565 HN ILE 565 -8.338 4.943 1.698 709 HA ILE 565 HA ILE 565 -10.576 5.101 0.041 710 HB ILE 565 HB ILE 565 -9.157 2.733 1.235 711 HG12 ILE 565 HG12 ILE 565 -9.158 3.862 -1.567 712 HG13 ILE 565 HG11 ILE 565 -7.971 4.280 -0.343 713 HG21 ILE 565 HG21 ILE 565 -11.263 2.727 -0.927 714 HG22 ILE 565 HG22 ILE 565 -11.444 2.068 0.700 715 HG23 ILE 565 HG23 ILE 565 -10.294 1.342 -0.422 716 HD11 ILE 565 HD11 ILE 565 -7.288 1.940 -0.229 717 HD12 ILE 565 HD12 ILE 565 -7.085 2.633 -1.837 718 HD13 ILE 565 HD13 ILE 565 -8.447 1.559 -1.500 719 H LYS 566 HN LYS 566 -10.261 3.587 3.243 720 HA LYS 566 HA LYS 566 -13.020 2.941 3.465 721 HB2 LYS 566 HB2 LYS 566 -10.849 3.191 5.546 722 HB3 LYS 566 HB1 LYS 566 -12.480 2.646 5.909 723 HG2 LYS 566 HG2 LYS 566 -12.206 0.755 4.410 724 HG3 LYS 566 HG1 LYS 566 -10.588 1.314 3.985 725 HD2 LYS 566 HD2 LYS 566 -9.863 1.022 6.288 726 HD3 LYS 566 HD1 LYS 566 -11.489 0.519 6.754 727 HE2 LYS 566 HE2 LYS 566 -11.325 -1.428 5.313 728 HE3 LYS 566 HE1 LYS 566 -9.736 -0.908 4.756 729 HZ1 LYS 566 HZ1 LYS 566 -10.443 -1.704 7.526 730 HZ2 LYS 566 HZ2 LYS 566 -8.927 -1.142 7.038 731 HZ3 LYS 566 HZ3 LYS 566 -9.520 -2.605 6.431 732 H ARG 567 HN ARG 567 -11.109 5.740 4.340 733 HA ARG 567 HA ARG 567 -12.933 7.085 5.986 734 HB2 ARG 567 HB2 ARG 567 -10.551 7.677 5.680 735 HB3 ARG 567 HB1 ARG 567 -10.903 8.215 4.048 736 HG2 ARG 567 HG2 ARG 567 -10.722 10.115 5.462 737 HG3 ARG 567 HG1 ARG 567 -12.412 9.925 4.994 738 HD2 ARG 567 HD2 ARG 567 -12.998 9.061 7.115 739 HD3 ARG 567 HD1 ARG 567 -11.309 8.847 7.572 740 HE ARG 567 HE ARG 567 -11.522 11.519 7.141 741 HH11 ARG 567 HH11 ARG 567 -13.398 9.269 9.063 742 HH12 ARG 567 HH12 ARG 567 -13.662 10.401 10.355 743 HH21 ARG 567 HH21 ARG 567 -11.900 13.020 8.830 744 HH22 ARG 567 HH22 ARG 567 -12.834 12.537 10.210 745 H LYS 568 HN LYS 568 -12.581 7.024 2.467 746 HA LYS 568 HA LYS 568 -14.665 8.913 1.989 747 HB2 LYS 568 HB2 LYS 568 -13.031 8.708 0.288 748 HB3 LYS 568 HB1 LYS 568 -13.160 6.956 0.262 749 HG2 LYS 568 HG2 LYS 568 -15.331 7.088 -0.741 750 HG3 LYS 568 HG1 LYS 568 -15.316 8.847 -0.631 751 HD2 LYS 568 HD2 LYS 568 -13.569 9.022 -2.220 752 HD3 LYS 568 HD1 LYS 568 -13.239 7.290 -2.150 753 HE2 LYS 568 HE2 LYS 568 -14.447 7.872 -4.184 754 HE3 LYS 568 HE1 LYS 568 -15.409 6.825 -3.145 755 HZ1 LYS 568 HZ1 LYS 568 -16.741 8.607 -4.064 756 HZ2 LYS 568 HZ2 LYS 568 -15.708 9.769 -3.390 757 HZ3 LYS 568 HZ3 LYS 568 -16.629 8.772 -2.382 758 H ARG 569 HN ARG 569 -14.453 5.459 2.401 759 HA ARG 569 HA ARG 569 -17.109 4.925 1.454 760 HB2 ARG 569 HB2 ARG 569 -15.148 3.232 2.971 761 HB3 ARG 569 HB1 ARG 569 -16.724 2.663 2.434 762 HG2 ARG 569 HG2 ARG 569 -15.987 3.392 0.100 763 HG3 ARG 569 HG1 ARG 569 -14.359 3.461 0.784 764 HD2 ARG 569 HD2 ARG 569 -14.617 1.136 1.531 765 HD3 ARG 569 HD1 ARG 569 -16.196 1.086 0.753 766 HE ARG 569 HE ARG 569 -14.103 1.859 -1.044 767 HH11 ARG 569 HH11 ARG 569 -15.714 -0.868 0.447 768 HH12 ARG 569 HH12 ARG 569 -15.224 -1.984 -0.788 769 HH21 ARG 569 HH21 ARG 569 -13.477 0.411 -2.677 770 HH22 ARG 569 HH22 ARG 569 -13.954 -1.266 -2.556 771 H GLU 570 HN GLU 570 -15.925 6.296 4.255 772 HA GLU 570 HA GLU 570 -17.882 5.333 6.094 773 HB2 GLU 570 HB2 GLU 570 -16.296 7.909 6.110 774 HB3 GLU 570 HB1 GLU 570 -17.266 7.315 7.451 775 HG2 GLU 570 HG2 GLU 570 -15.805 5.285 7.483 776 HG3 GLU 570 HG1 GLU 570 -14.779 6.087 6.298 777 H GLN 571 HN GLN 571 -17.959 7.348 3.414 778 HA GLN 571 HA GLN 571 -20.455 8.648 4.199 779 HB2 GLN 571 HB2 GLN 571 -18.790 10.040 3.072 780 HB3 GLN 571 HB1 GLN 571 -18.743 8.921 1.720 781 HG2 GLN 571 HG2 GLN 571 -21.121 9.432 1.272 782 HG3 GLN 571 HG1 GLN 571 -21.065 10.638 2.557 783 HE21 GLN 571 HE21 GLN 571 -20.013 9.805 -0.640 784 HE22 GLN 571 HE22 GLN 571 -19.439 11.375 -1.085 785 H ARG 572 HN ARG 572 -22.267 7.536 3.852 786 HA ARG 572 HA ARG 572 -22.481 5.930 1.407 787 HB2 ARG 572 HB2 ARG 572 -22.062 4.438 3.316 788 HB3 ARG 572 HB1 ARG 572 -23.429 5.138 4.168 789 HG2 ARG 572 HG2 ARG 572 -24.087 3.038 3.260 790 HG3 ARG 572 HG1 ARG 572 -24.909 4.318 2.371 791 HD2 ARG 572 HD2 ARG 572 -24.051 2.527 0.904 792 HD3 ARG 572 HD1 ARG 572 -23.361 4.106 0.536 793 HE ARG 572 HE ARG 572 -21.379 3.337 1.851 794 HH11 ARG 572 HH11 ARG 572 -23.505 1.009 0.320 795 HH12 ARG 572 HH12 ARG 572 -22.261 -0.183 0.135 796 HH21 ARG 572 HH21 ARG 572 -19.756 1.768 1.613 797 HH22 ARG 572 HH22 ARG 572 -20.130 0.239 0.880 Start of MODEL 15 1 H1 GLY 475 HT1 GLY 475 1.341 15.272 10.605 2 H2 GLY 475 HT2 GLY 475 1.393 13.776 11.388 3 H3 GLY 475 HT3 GLY 475 0.921 13.867 9.769 4 HA2 GLY 475 HA1 GLY 475 3.615 14.502 10.824 5 HA3 GLY 475 HA2 GLY 475 3.174 13.037 9.957 6 H ALA 476 HN ALA 476 4.507 13.316 8.229 7 HA ALA 476 HA ALA 476 5.304 14.089 6.257 8 HB1 ALA 476 HB1 ALA 476 2.953 13.639 5.630 9 HB2 ALA 476 HB2 ALA 476 3.699 14.916 4.672 10 HB3 ALA 476 HB3 ALA 476 2.572 15.329 5.964 11 H MET 477 HN MET 477 6.248 15.572 8.249 12 HA MET 477 HA MET 477 5.749 18.357 8.030 13 HB2 MET 477 HB2 MET 477 6.744 17.458 10.041 14 HB3 MET 477 HB1 MET 477 8.108 16.826 9.132 15 HG2 MET 477 HG2 MET 477 8.724 18.828 10.353 16 HG3 MET 477 HG1 MET 477 8.833 19.091 8.613 17 HE1 MET 477 HE1 MET 477 8.927 21.706 8.973 18 HE2 MET 477 HE2 MET 477 8.845 21.464 10.718 19 HE3 MET 477 HE3 MET 477 7.753 22.605 9.934 20 H ASP 478 HN ASP 478 8.201 16.216 6.667 21 HA ASP 478 HA ASP 478 9.107 18.397 4.918 22 HB2 ASP 478 HB2 ASP 478 11.127 17.082 4.558 23 HB3 ASP 478 HB1 ASP 478 10.859 17.320 6.279 24 HA PRO 479 HA PRO 479 7.292 16.756 1.229 25 HB2 PRO 479 HB2 PRO 479 10.089 17.119 0.218 26 HB3 PRO 479 HB1 PRO 479 8.560 17.608 -0.524 27 HG2 PRO 479 HG2 PRO 479 10.066 19.407 0.686 28 HG3 PRO 479 HG1 PRO 479 8.305 19.425 0.916 29 HD2 PRO 479 HD2 PRO 479 10.448 18.493 2.771 30 HD3 PRO 479 HD1 PRO 479 8.913 19.307 3.133 31 H GLN 480 HN GLN 480 7.041 14.788 0.367 32 HA GLN 480 HA GLN 480 7.366 12.634 -0.254 33 HB2 GLN 480 HB2 GLN 480 9.683 13.356 -0.921 34 HB3 GLN 480 HB1 GLN 480 10.227 12.864 0.674 35 HG2 GLN 480 HG2 GLN 480 9.473 10.569 0.193 36 HG3 GLN 480 HG1 GLN 480 9.009 11.086 -1.426 37 HE21 GLN 480 HE21 GLN 480 11.850 12.250 0.249 38 HE22 GLN 480 HE22 GLN 480 13.005 11.481 -0.780 39 H GLU 481 HN GLU 481 7.317 13.861 2.704 40 HA GLU 481 HA GLU 481 6.831 13.091 4.778 41 HB2 GLU 481 HB2 GLU 481 6.162 10.581 3.235 42 HB3 GLU 481 HB1 GLU 481 5.812 10.802 4.939 43 HG2 GLU 481 HG2 GLU 481 3.808 11.231 3.814 44 HG3 GLU 481 HG1 GLU 481 4.442 12.812 4.266 45 H GLU 482 HN GLU 482 7.214 10.935 6.236 46 HA GLU 482 HA GLU 482 10.051 10.303 5.987 47 HB2 GLU 482 HB2 GLU 482 9.781 9.273 8.253 48 HB3 GLU 482 HB1 GLU 482 9.435 10.991 8.195 49 HG2 GLU 482 HG2 GLU 482 7.736 10.234 9.518 50 HG3 GLU 482 HG1 GLU 482 6.967 10.206 7.937 51 H THR 483 HN THR 483 7.217 9.170 4.895 52 HA THR 483 HA THR 483 7.989 6.342 4.974 53 HB THR 483 HB THR 483 5.437 7.072 3.691 54 HG1 THR 483 HG1 THR 483 6.006 7.717 6.409 55 HG21 THR 483 HG21 THR 483 6.078 4.762 4.211 56 HG22 THR 483 HG22 THR 483 4.615 5.230 5.078 57 HG23 THR 483 HG23 THR 483 6.161 5.172 5.924 58 H GLY 484 HN GLY 484 9.311 5.863 3.306 59 HA2 GLY 484 HA2 GLY 484 9.233 7.359 0.835 60 HA3 GLY 484 HA1 GLY 484 10.320 6.030 1.223 61 H VAL 485 HN VAL 485 6.783 6.227 1.106 62 HA VAL 485 HA VAL 485 6.628 4.510 -1.213 63 HB VAL 485 HB VAL 485 4.941 3.065 0.234 64 HG11 VAL 485 HG11 VAL 485 6.837 2.191 -1.064 65 HG12 VAL 485 HG12 VAL 485 6.625 1.359 0.481 66 HG13 VAL 485 HG13 VAL 485 7.909 2.559 0.290 67 HG21 VAL 485 HG21 VAL 485 5.916 2.602 2.461 68 HG22 VAL 485 HG22 VAL 485 5.249 4.229 2.294 69 HG23 VAL 485 HG23 VAL 485 6.995 3.980 2.225 70 H ARG 486 HN ARG 486 4.364 4.139 -1.834 71 HA ARG 486 HA ARG 486 2.217 5.467 -0.549 72 HB2 ARG 486 HB2 ARG 486 3.214 7.477 -1.417 73 HB3 ARG 486 HB1 ARG 486 3.382 6.774 -3.016 74 HG2 ARG 486 HG2 ARG 486 1.547 8.428 -2.818 75 HG3 ARG 486 HG1 ARG 486 1.015 6.837 -3.360 76 HD2 ARG 486 HD2 ARG 486 -0.475 7.909 -1.667 77 HD3 ARG 486 HD1 ARG 486 0.125 6.316 -1.211 78 HE ARG 486 HE ARG 486 1.847 8.271 -0.156 79 HH11 ARG 486 HH11 ARG 486 -1.470 7.200 0.228 80 HH12 ARG 486 HH12 ARG 486 -1.497 7.504 1.941 81 HH21 ARG 486 HH21 ARG 486 1.777 8.693 2.101 82 HH22 ARG 486 HH22 ARG 486 0.319 8.345 2.990 83 H VAL 487 HN VAL 487 0.291 4.688 -1.306 84 HA VAL 487 HA VAL 487 0.540 2.691 -3.445 85 HB VAL 487 HB VAL 487 -1.493 2.795 -1.214 86 HG11 VAL 487 HG11 VAL 487 -0.883 0.619 -3.209 87 HG12 VAL 487 HG12 VAL 487 -2.306 1.659 -3.226 88 HG13 VAL 487 HG13 VAL 487 -2.057 0.528 -1.895 89 HG21 VAL 487 HG21 VAL 487 0.725 2.386 -0.355 90 HG22 VAL 487 HG22 VAL 487 0.974 1.113 -1.552 91 HG23 VAL 487 HG23 VAL 487 -0.233 0.906 -0.284 92 H GLU 488 HN GLU 488 -0.839 2.635 -5.113 93 HA GLU 488 HA GLU 488 -2.910 4.742 -5.288 94 HB2 GLU 488 HB2 GLU 488 -1.067 3.759 -7.484 95 HB3 GLU 488 HB1 GLU 488 -2.410 4.863 -7.723 96 HG2 GLU 488 HG2 GLU 488 -1.277 6.447 -6.159 97 HG3 GLU 488 HG1 GLU 488 0.113 5.362 -6.168 98 H LEU 489 HN LEU 489 -4.712 4.256 -6.580 99 HA LEU 489 HA LEU 489 -5.499 1.490 -6.569 100 HB2 LEU 489 HB2 LEU 489 -6.896 3.891 -7.739 101 HB3 LEU 489 HB1 LEU 489 -7.600 2.307 -7.509 102 HG LEU 489 HG LEU 489 -6.642 4.071 -5.255 103 HD11 LEU 489 HD11 LEU 489 -9.459 3.550 -6.251 104 HD12 LEU 489 HD12 LEU 489 -8.552 5.047 -6.490 105 HD13 LEU 489 HD13 LEU 489 -9.002 4.540 -4.862 106 HD21 LEU 489 HD21 LEU 489 -8.447 1.657 -5.180 107 HD22 LEU 489 HD22 LEU 489 -7.744 2.530 -3.813 108 HD23 LEU 489 HD23 LEU 489 -6.711 1.586 -4.890 109 H ALA 490 HN ALA 490 -5.198 0.100 -8.174 110 HA ALA 490 HA ALA 490 -4.203 0.886 -10.745 111 HB1 ALA 490 HB1 ALA 490 -4.424 -1.444 -11.350 112 HB2 ALA 490 HB2 ALA 490 -5.435 -1.746 -9.941 113 HB3 ALA 490 HB3 ALA 490 -3.738 -1.331 -9.730 114 H GLU 491 HN GLU 491 -7.224 0.509 -9.247 115 HA GLU 491 HA GLU 491 -8.613 1.387 -11.650 116 HB2 GLU 491 HB2 GLU 491 -10.468 -0.184 -11.210 117 HB3 GLU 491 HB1 GLU 491 -8.973 -1.037 -11.577 118 HG2 GLU 491 HG2 GLU 491 -8.662 -1.122 -9.037 119 HG3 GLU 491 HG1 GLU 491 -10.375 -0.735 -8.959 120 H GLU 492 HN GLU 492 -10.286 2.766 -11.173 121 HA GLU 492 HA GLU 492 -9.905 4.179 -8.739 122 HB2 GLU 492 HB2 GLU 492 -11.670 5.705 -9.658 123 HB3 GLU 492 HB1 GLU 492 -10.265 5.478 -10.691 124 HG2 GLU 492 HG2 GLU 492 -11.499 3.904 -12.054 125 HG3 GLU 492 HG1 GLU 492 -12.908 4.078 -11.010 126 H ASP 493 HN ASP 493 -11.014 4.119 -6.932 127 HA ASP 493 HA ASP 493 -13.527 2.617 -6.896 128 HB2 ASP 493 HB2 ASP 493 -12.037 1.461 -5.472 129 HB3 ASP 493 HB1 ASP 493 -11.446 2.957 -4.751 130 H ASP 494 HN ASP 494 -15.172 3.982 -6.994 131 HA ASP 494 HA ASP 494 -15.317 6.053 -4.924 132 HB2 ASP 494 HB2 ASP 494 -16.058 6.485 -7.830 133 HB3 ASP 494 HB1 ASP 494 -16.432 7.598 -6.524 134 H GLY 495 HN GLY 495 -16.429 3.327 -5.297 135 HA2 GLY 495 HA2 GLY 495 -19.278 4.062 -5.156 136 HA3 GLY 495 HA1 GLY 495 -18.781 2.740 -6.197 137 H GLU 496 HN GLU 496 -18.496 0.773 -5.390 138 HA GLU 496 HA GLU 496 -18.935 0.457 -2.507 139 HB2 GLU 496 HB2 GLU 496 -20.465 -1.502 -3.215 140 HB3 GLU 496 HB1 GLU 496 -21.074 0.145 -3.313 141 HG2 GLU 496 HG2 GLU 496 -21.671 -1.303 -5.244 142 HG3 GLU 496 HG1 GLU 496 -20.858 0.199 -5.662 143 H LYS 497 HN LYS 497 -16.562 0.165 -4.248 144 HA LYS 497 HA LYS 497 -15.986 -2.547 -4.717 145 HB2 LYS 497 HB2 LYS 497 -14.226 -0.135 -4.331 146 HB3 LYS 497 HB1 LYS 497 -13.636 -1.702 -4.828 147 HG2 LYS 497 HG2 LYS 497 -15.775 -0.297 -6.366 148 HG3 LYS 497 HG1 LYS 497 -14.066 0.047 -6.637 149 HD2 LYS 497 HD2 LYS 497 -15.283 -2.706 -6.793 150 HD3 LYS 497 HD1 LYS 497 -15.044 -1.656 -8.189 151 HE2 LYS 497 HE2 LYS 497 -12.629 -1.603 -7.702 152 HE3 LYS 497 HE1 LYS 497 -12.891 -2.703 -6.351 153 HZ1 LYS 497 HZ1 LYS 497 -13.563 -4.413 -7.830 154 HZ2 LYS 497 HZ2 LYS 497 -12.116 -3.770 -8.443 155 HZ3 LYS 497 HZ3 LYS 497 -13.594 -3.359 -9.153 156 H ILE 498 HN ILE 498 -15.679 -4.062 -3.306 157 HA ILE 498 HA ILE 498 -14.834 -3.454 -0.587 158 HB ILE 498 HB ILE 498 -15.803 -5.987 -1.882 159 HG12 ILE 498 HG12 ILE 498 -17.463 -4.210 -1.372 160 HG13 ILE 498 HG11 ILE 498 -17.718 -5.694 -0.477 161 HG21 ILE 498 HG21 ILE 498 -14.949 -5.562 0.978 162 HG22 ILE 498 HG22 ILE 498 -14.101 -6.540 -0.221 163 HG23 ILE 498 HG23 ILE 498 -15.706 -7.018 0.331 164 HD11 ILE 498 HD11 ILE 498 -18.067 -3.784 0.952 165 HD12 ILE 498 HD12 ILE 498 -16.451 -3.189 0.577 166 HD13 ILE 498 HD13 ILE 498 -16.648 -4.693 1.484 167 H ALA 499 HN ALA 499 -13.959 -5.477 -3.306 168 HA ALA 499 HA ALA 499 -11.243 -5.685 -2.215 169 HB1 ALA 499 HB1 ALA 499 -11.029 -7.647 -3.681 170 HB2 ALA 499 HB2 ALA 499 -12.714 -7.426 -4.164 171 HB3 ALA 499 HB3 ALA 499 -12.319 -7.805 -2.488 172 H ILE 500 HN ILE 500 -9.725 -4.568 -3.172 173 HA ILE 500 HA ILE 500 -10.301 -3.430 -5.822 174 HB ILE 500 HB ILE 500 -9.254 -1.390 -5.140 175 HG12 ILE 500 HG12 ILE 500 -8.664 -2.816 -2.540 176 HG13 ILE 500 HG11 ILE 500 -7.490 -2.228 -3.708 177 HG21 ILE 500 HG21 ILE 500 -10.777 -0.688 -3.342 178 HG22 ILE 500 HG22 ILE 500 -11.175 -2.385 -3.059 179 HG23 ILE 500 HG23 ILE 500 -11.590 -1.625 -4.596 180 HD11 ILE 500 HD11 ILE 500 -7.637 -0.789 -1.751 181 HD12 ILE 500 HD12 ILE 500 -9.346 -0.513 -2.082 182 HD13 ILE 500 HD13 ILE 500 -8.125 0.057 -3.219 183 H LYS 501 HN LYS 501 -8.214 -2.392 -6.703 184 HA LYS 501 HA LYS 501 -5.996 -4.302 -6.399 185 HB2 LYS 501 HB2 LYS 501 -7.290 -4.367 -8.590 186 HB3 LYS 501 HB1 LYS 501 -6.676 -2.754 -8.900 187 HG2 LYS 501 HG2 LYS 501 -5.267 -4.239 -10.068 188 HG3 LYS 501 HG1 LYS 501 -4.358 -3.709 -8.652 189 HD2 LYS 501 HD2 LYS 501 -4.081 -6.093 -8.968 190 HD3 LYS 501 HD1 LYS 501 -5.002 -5.788 -7.494 191 HE2 LYS 501 HE2 LYS 501 -7.078 -6.260 -8.691 192 HE3 LYS 501 HE1 LYS 501 -6.167 -6.540 -10.173 193 HZ1 LYS 501 HZ1 LYS 501 -5.119 -8.429 -9.177 194 HZ2 LYS 501 HZ2 LYS 501 -6.790 -8.593 -8.997 195 HZ3 LYS 501 HZ3 LYS 501 -5.842 -8.118 -7.681 196 H LEU 502 HN LEU 502 -4.292 -3.366 -5.482 197 HA LEU 502 HA LEU 502 -3.883 -0.468 -5.862 198 HB2 LEU 502 HB2 LEU 502 -3.174 -2.242 -3.528 199 HB3 LEU 502 HB1 LEU 502 -2.723 -0.556 -3.668 200 HG LEU 502 HG LEU 502 -5.602 -1.420 -3.689 201 HD11 LEU 502 HD11 LEU 502 -3.900 -0.705 -1.307 202 HD12 LEU 502 HD12 LEU 502 -4.590 -2.290 -1.656 203 HD13 LEU 502 HD13 LEU 502 -5.649 -0.927 -1.293 204 HD21 LEU 502 HD21 LEU 502 -4.309 1.169 -2.848 205 HD22 LEU 502 HD22 LEU 502 -6.029 0.843 -3.066 206 HD23 LEU 502 HD23 LEU 502 -4.950 0.864 -4.461 207 H TRP 503 HN TRP 503 -1.731 0.261 -6.171 208 HA TRP 503 HA TRP 503 0.293 -1.859 -6.432 209 HB2 TRP 503 HB2 TRP 503 0.115 0.758 -7.931 210 HB3 TRP 503 HB1 TRP 503 1.541 -0.260 -7.910 211 HD1 TRP 503 HD1 TRP 503 -2.185 -0.740 -8.813 212 HE1 TRP 503 HE1 TRP 503 -2.319 -2.137 -10.971 213 HE3 TRP 503 HE3 TRP 503 2.775 -1.702 -9.455 214 HZ2 TRP 503 HZ2 TRP 503 -0.548 -3.478 -12.698 215 HZ3 TRP 503 HZ3 TRP 503 3.472 -3.066 -11.370 216 HH2 TRP 503 HH2 TRP 503 1.847 -3.935 -12.958 217 H LEU 504 HN LEU 504 1.789 -1.807 -4.922 218 HA LEU 504 HA LEU 504 2.123 0.458 -3.185 219 HB2 LEU 504 HB2 LEU 504 2.365 -1.780 -2.308 220 HB3 LEU 504 HB1 LEU 504 3.642 -2.128 -3.447 221 HG LEU 504 HG LEU 504 5.023 -0.358 -2.324 222 HD11 LEU 504 HD11 LEU 504 4.361 0.303 -0.058 223 HD12 LEU 504 HD12 LEU 504 2.801 -0.488 -0.293 224 HD13 LEU 504 HD13 LEU 504 3.241 0.906 -1.280 225 HD21 LEU 504 HD21 LEU 504 4.111 -2.653 -0.601 226 HD22 LEU 504 HD22 LEU 504 5.643 -1.786 -0.468 227 HD23 LEU 504 HD23 LEU 504 5.295 -2.756 -1.901 228 H ARG 505 HN ARG 505 3.008 2.195 -4.095 229 HA ARG 505 HA ARG 505 5.171 1.939 -6.015 230 HB2 ARG 505 HB2 ARG 505 3.114 3.770 -5.620 231 HB3 ARG 505 HB1 ARG 505 4.582 4.639 -5.190 232 HG2 ARG 505 HG2 ARG 505 5.559 4.033 -7.351 233 HG3 ARG 505 HG1 ARG 505 4.057 3.199 -7.777 234 HD2 ARG 505 HD2 ARG 505 4.164 5.443 -8.734 235 HD3 ARG 505 HD1 ARG 505 2.827 5.259 -7.600 236 HE ARG 505 HE ARG 505 5.215 6.336 -6.395 237 HH11 ARG 505 HH11 ARG 505 2.249 7.107 -8.098 238 HH12 ARG 505 HH12 ARG 505 2.248 8.767 -7.581 239 HH21 ARG 505 HH21 ARG 505 5.191 8.499 -5.694 240 HH22 ARG 505 HH22 ARG 505 3.911 9.557 -6.216 241 H ILE 506 HN ILE 506 7.237 2.084 -5.497 242 HA ILE 506 HA ILE 506 7.984 2.771 -2.763 243 HB ILE 506 HB ILE 506 9.818 1.857 -4.973 244 HG12 ILE 506 HG12 ILE 506 8.049 0.184 -4.707 245 HG13 ILE 506 HG11 ILE 506 9.577 -0.425 -4.083 246 HG21 ILE 506 HG21 ILE 506 11.172 1.052 -3.038 247 HG22 ILE 506 HG22 ILE 506 10.045 1.899 -1.978 248 HG23 ILE 506 HG23 ILE 506 11.009 2.804 -3.148 249 HD11 ILE 506 HD11 ILE 506 8.826 0.086 -1.806 250 HD12 ILE 506 HD12 ILE 506 7.754 -1.046 -2.632 251 HD13 ILE 506 HD13 ILE 506 7.286 0.646 -2.456 252 H GLU 507 HN GLU 507 8.519 4.772 -2.275 253 HA GLU 507 HA GLU 507 8.957 6.696 -4.392 254 HB2 GLU 507 HB2 GLU 507 8.564 6.991 -1.412 255 HB3 GLU 507 HB1 GLU 507 8.686 8.326 -2.547 256 HG2 GLU 507 HG2 GLU 507 6.578 6.190 -2.630 257 HG3 GLU 507 HG1 GLU 507 6.373 7.784 -1.909 258 H ASP 508 HN ASP 508 10.572 5.651 -1.405 259 HA ASP 508 HA ASP 508 13.098 6.707 -2.468 260 HB2 ASP 508 HB2 ASP 508 12.073 8.351 -0.860 261 HB3 ASP 508 HB1 ASP 508 12.192 7.119 0.391 262 H ILE 509 HN ILE 509 14.109 4.811 -2.793 263 HA ILE 509 HA ILE 509 13.712 2.580 -1.057 264 HB ILE 509 HB ILE 509 15.190 1.369 -2.498 265 HG12 ILE 509 HG12 ILE 509 16.050 2.891 -4.544 266 HG13 ILE 509 HG11 ILE 509 16.150 4.068 -3.241 267 HG21 ILE 509 HG21 ILE 509 14.103 1.743 -4.663 268 HG22 ILE 509 HG22 ILE 509 13.479 3.282 -4.066 269 HG23 ILE 509 HG23 ILE 509 12.957 1.771 -3.324 270 HD11 ILE 509 HD11 ILE 509 18.273 2.941 -3.565 271 HD12 ILE 509 HD12 ILE 509 17.498 1.379 -3.299 272 HD13 ILE 509 HD13 ILE 509 17.593 2.550 -1.985 273 H LYS 510 HN LYS 510 15.694 5.274 -0.839 274 HA LYS 510 HA LYS 510 17.929 3.988 0.450 275 HB2 LYS 510 HB2 LYS 510 17.141 6.894 0.196 276 HB3 LYS 510 HB1 LYS 510 18.646 6.328 0.896 277 HG2 LYS 510 HG2 LYS 510 17.782 5.806 -1.939 278 HG3 LYS 510 HG1 LYS 510 18.863 7.108 -1.440 279 HD2 LYS 510 HD2 LYS 510 20.462 5.481 -0.592 280 HD3 LYS 510 HD1 LYS 510 19.368 4.164 -1.014 281 HE2 LYS 510 HE2 LYS 510 21.186 4.489 -2.661 282 HE3 LYS 510 HE1 LYS 510 19.575 4.664 -3.355 283 HZ1 LYS 510 HZ1 LYS 510 21.322 6.920 -2.531 284 HZ2 LYS 510 HZ2 LYS 510 19.817 7.047 -3.288 285 HZ3 LYS 510 HZ3 LYS 510 21.126 6.377 -4.119 286 H LYS 511 HN LYS 511 14.821 4.859 1.321 287 HA LYS 511 HA LYS 511 15.371 5.264 4.118 288 HB2 LYS 511 HB2 LYS 511 13.622 6.587 3.181 289 HB3 LYS 511 HB1 LYS 511 12.911 5.197 2.376 290 HG2 LYS 511 HG2 LYS 511 11.523 5.689 4.202 291 HG3 LYS 511 HG1 LYS 511 12.477 4.262 4.611 292 HD2 LYS 511 HD2 LYS 511 13.988 5.578 5.941 293 HD3 LYS 511 HD1 LYS 511 13.167 7.054 5.447 294 HE2 LYS 511 HE2 LYS 511 11.139 6.320 6.592 295 HE3 LYS 511 HE1 LYS 511 11.945 4.824 7.064 296 HZ1 LYS 511 HZ1 LYS 511 13.514 6.107 8.362 297 HZ2 LYS 511 HZ2 LYS 511 11.936 6.455 8.854 298 HZ3 LYS 511 HZ3 LYS 511 12.780 7.555 7.887 299 H LEU 512 HN LEU 512 14.951 2.747 1.926 300 HA LEU 512 HA LEU 512 13.751 0.925 3.876 301 HB2 LEU 512 HB2 LEU 512 14.289 0.450 0.952 302 HB3 LEU 512 HB1 LEU 512 13.235 -0.473 2.007 303 HG LEU 512 HG LEU 512 12.772 2.388 1.166 304 HD11 LEU 512 HD11 LEU 512 11.498 -0.177 0.258 305 HD12 LEU 512 HD12 LEU 512 12.500 0.909 -0.702 306 HD13 LEU 512 HD13 LEU 512 10.915 1.437 -0.138 307 HD21 LEU 512 HD21 LEU 512 11.008 0.486 2.704 308 HD22 LEU 512 HD22 LEU 512 10.574 2.114 2.182 309 HD23 LEU 512 HD23 LEU 512 11.853 1.882 3.375 310 H LYS 513 HN LYS 513 14.605 -1.365 3.799 311 HA LYS 513 HA LYS 513 17.560 -1.264 3.822 312 HB2 LYS 513 HB2 LYS 513 15.709 -2.884 5.583 313 HB3 LYS 513 HB1 LYS 513 17.466 -2.943 5.628 314 HG2 LYS 513 HG2 LYS 513 15.731 -0.576 6.301 315 HG3 LYS 513 HG1 LYS 513 16.642 -1.578 7.433 316 HD2 LYS 513 HD2 LYS 513 18.733 -0.871 6.367 317 HD3 LYS 513 HD1 LYS 513 17.814 0.136 5.245 318 HE2 LYS 513 HE2 LYS 513 16.952 1.434 7.144 319 HE3 LYS 513 HE1 LYS 513 17.904 0.441 8.245 320 HZ1 LYS 513 HZ1 LYS 513 18.999 2.536 7.748 321 HZ2 LYS 513 HZ2 LYS 513 19.003 2.175 6.101 322 HZ3 LYS 513 HZ3 LYS 513 19.914 1.237 7.172 323 H GLY 514 HN GLY 514 16.479 -1.876 1.460 324 HA2 GLY 514 HA2 GLY 514 17.336 -4.601 1.069 325 HA3 GLY 514 HA1 GLY 514 15.620 -4.353 0.781 326 H LYS 515 HN LYS 515 16.395 -5.136 -1.394 327 HA LYS 515 HA LYS 515 17.603 -2.999 -2.988 328 HB2 LYS 515 HB2 LYS 515 18.555 -5.244 -3.239 329 HB3 LYS 515 HB1 LYS 515 16.980 -5.870 -3.708 330 HG2 LYS 515 HG2 LYS 515 17.017 -4.429 -5.695 331 HG3 LYS 515 HG1 LYS 515 18.617 -3.850 -5.228 332 HD2 LYS 515 HD2 LYS 515 19.485 -6.136 -5.388 333 HD3 LYS 515 HD1 LYS 515 17.884 -6.706 -5.861 334 HE2 LYS 515 HE2 LYS 515 17.974 -5.255 -7.842 335 HE3 LYS 515 HE1 LYS 515 19.593 -4.738 -7.376 336 HZ1 LYS 515 HZ1 LYS 515 19.677 -6.470 -9.044 337 HZ2 LYS 515 HZ2 LYS 515 18.787 -7.513 -8.057 338 HZ3 LYS 515 HZ3 LYS 515 20.338 -7.027 -7.592 339 H TYR 516 HN TYR 516 16.224 -1.581 -3.743 340 HA TYR 516 HA TYR 516 13.785 -2.510 -5.084 341 HB2 TYR 516 HB2 TYR 516 13.827 -0.085 -3.278 342 HB3 TYR 516 HB1 TYR 516 12.435 -0.768 -4.102 343 HD1 TYR 516 HD2 TYR 516 14.753 -1.151 -1.278 344 HD2 TYR 516 HD1 TYR 516 11.268 -2.644 -3.195 345 HE1 TYR 516 HE2 TYR 516 14.234 -2.491 0.715 346 HE2 TYR 516 HE1 TYR 516 10.743 -3.989 -1.216 347 HH TYR 516 HH TYR 516 11.711 -4.900 0.691 348 H LYS 517 HN LYS 517 12.887 -0.774 -6.497 349 HA LYS 517 HA LYS 517 14.990 1.053 -7.456 350 HB2 LYS 517 HB2 LYS 517 12.597 -0.079 -8.928 351 HB3 LYS 517 HB1 LYS 517 13.753 1.059 -9.605 352 HG2 LYS 517 HG2 LYS 517 15.533 -0.581 -9.373 353 HG3 LYS 517 HG1 LYS 517 14.404 -1.719 -8.642 354 HD2 LYS 517 HD2 LYS 517 14.105 -0.583 -11.419 355 HD3 LYS 517 HD1 LYS 517 14.863 -2.134 -11.061 356 HE2 LYS 517 HE2 LYS 517 12.783 -2.919 -10.049 357 HE3 LYS 517 HE1 LYS 517 12.025 -1.367 -10.393 358 HZ1 LYS 517 HZ1 LYS 517 12.339 -1.777 -12.751 359 HZ2 LYS 517 HZ2 LYS 517 11.438 -3.021 -12.043 360 HZ3 LYS 517 HZ3 LYS 517 13.067 -3.266 -12.419 361 H ASP 518 HN ASP 518 14.440 3.239 -7.825 362 HA ASP 518 HA ASP 518 12.436 4.184 -5.983 363 HB2 ASP 518 HB2 ASP 518 14.373 5.682 -7.754 364 HB3 ASP 518 HB1 ASP 518 13.269 6.464 -6.631 365 H ASN 519 HN ASN 519 11.388 2.812 -8.168 366 HA ASN 519 HA ASN 519 9.265 4.549 -8.840 367 HB2 ASN 519 HB2 ASN 519 11.033 5.209 -10.550 368 HB3 ASN 519 HB1 ASN 519 10.891 3.580 -11.202 369 HD21 ASN 519 HD21 ASN 519 10.140 4.272 -13.180 370 HD22 ASN 519 HD22 ASN 519 8.558 4.930 -13.401 371 H GLU 520 HN GLU 520 9.852 2.023 -7.577 372 HA GLU 520 HA GLU 520 8.852 -0.034 -9.357 373 HB2 GLU 520 HB2 GLU 520 10.707 -0.523 -7.788 374 HB3 GLU 520 HB1 GLU 520 9.646 -0.158 -6.437 375 HG2 GLU 520 HG2 GLU 520 9.814 -2.530 -6.680 376 HG3 GLU 520 HG1 GLU 520 8.186 -2.026 -7.130 377 H ALA 521 HN ALA 521 6.924 -1.102 -9.042 378 HA ALA 521 HA ALA 521 5.132 -0.160 -6.943 379 HB1 ALA 521 HB1 ALA 521 4.301 -0.203 -9.843 380 HB2 ALA 521 HB2 ALA 521 4.659 1.252 -8.914 381 HB3 ALA 521 HB3 ALA 521 3.295 0.232 -8.464 382 H ILE 522 HN ILE 522 4.300 -1.775 -5.970 383 HA ILE 522 HA ILE 522 4.298 -4.403 -7.263 384 HB ILE 522 HB ILE 522 4.211 -3.604 -4.354 385 HG12 ILE 522 HG12 ILE 522 6.352 -5.129 -5.831 386 HG13 ILE 522 HG11 ILE 522 6.373 -3.383 -5.652 387 HG21 ILE 522 HG21 ILE 522 4.409 -5.985 -3.843 388 HG22 ILE 522 HG22 ILE 522 4.294 -6.365 -5.559 389 HG23 ILE 522 HG23 ILE 522 2.917 -5.648 -4.723 390 HD11 ILE 522 HD11 ILE 522 7.776 -4.620 -4.013 391 HD12 ILE 522 HD12 ILE 522 6.288 -5.290 -3.337 392 HD13 ILE 522 HD13 ILE 522 6.575 -3.551 -3.290 393 H GLU 523 HN GLU 523 2.403 -4.772 -8.208 394 HA GLU 523 HA GLU 523 -0.086 -3.665 -7.338 395 HB2 GLU 523 HB2 GLU 523 0.238 -4.097 -9.660 396 HB3 GLU 523 HB1 GLU 523 0.650 -5.774 -9.371 397 HG2 GLU 523 HG2 GLU 523 -1.749 -5.951 -8.415 398 HG3 GLU 523 HG1 GLU 523 -2.021 -4.417 -9.246 399 H PHE 524 HN PHE 524 -1.482 -4.468 -5.899 400 HA PHE 524 HA PHE 524 -1.595 -7.327 -5.365 401 HB2 PHE 524 HB2 PHE 524 -1.451 -7.043 -2.929 402 HB3 PHE 524 HB1 PHE 524 0.031 -6.508 -3.707 403 HD1 PHE 524 HD2 PHE 524 0.513 -4.091 -3.900 404 HD2 PHE 524 HD1 PHE 524 -2.790 -5.552 -1.645 405 HE1 PHE 524 HE2 PHE 524 0.331 -1.922 -2.761 406 HE2 PHE 524 HE1 PHE 524 -2.969 -3.387 -0.501 407 HZ PHE 524 HZ PHE 524 -1.376 -1.618 -0.958 408 H SER 525 HN SER 525 -3.578 -7.981 -4.413 409 HA SER 525 HA SER 525 -5.756 -6.094 -4.890 410 HB2 SER 525 HB2 SER 525 -5.973 -9.012 -4.118 411 HB3 SER 525 HB1 SER 525 -7.203 -8.005 -4.882 412 HG SER 525 HG SER 525 -5.257 -9.467 -6.024 413 H PHE 526 HN PHE 526 -7.244 -5.465 -3.247 414 HA PHE 526 HA PHE 526 -6.565 -6.422 -0.549 415 HB2 PHE 526 HB2 PHE 526 -5.544 -4.106 -1.180 416 HB3 PHE 526 HB1 PHE 526 -7.192 -3.522 -1.002 417 HD1 PHE 526 HD1 PHE 526 -8.312 -3.612 1.178 418 HD2 PHE 526 HD2 PHE 526 -4.238 -4.732 0.701 419 HE1 PHE 526 HE1 PHE 526 -7.985 -3.437 3.610 420 HE2 PHE 526 HE2 PHE 526 -3.904 -4.562 3.129 421 HZ PHE 526 HZ PHE 526 -5.776 -3.914 4.584 422 H ASP 527 HN ASP 527 -8.316 -7.384 0.155 423 HA ASP 527 HA ASP 527 -10.960 -6.359 -0.441 424 HB2 ASP 527 HB2 ASP 527 -10.379 -8.818 -0.114 425 HB3 ASP 527 HB1 ASP 527 -10.224 -8.457 1.599 426 H LEU 528 HN LEU 528 -11.644 -4.617 0.561 427 HA LEU 528 HA LEU 528 -10.274 -3.496 2.773 428 HB2 LEU 528 HB2 LEU 528 -12.894 -2.761 1.482 429 HB3 LEU 528 HB1 LEU 528 -12.047 -1.773 2.651 430 HG LEU 528 HG LEU 528 -10.877 -2.567 -0.013 431 HD11 LEU 528 HD11 LEU 528 -11.409 -0.304 -0.740 432 HD12 LEU 528 HD12 LEU 528 -12.228 0.004 0.791 433 HD13 LEU 528 HD13 LEU 528 -12.874 -1.196 -0.330 434 HD21 LEU 528 HD21 LEU 528 -9.275 -0.804 0.439 435 HD22 LEU 528 HD22 LEU 528 -9.251 -1.994 1.739 436 HD23 LEU 528 HD23 LEU 528 -10.068 -0.449 1.975 437 H GLU 529 HN GLU 529 -12.454 -5.980 2.771 438 HA GLU 529 HA GLU 529 -13.380 -5.276 5.475 439 HB2 GLU 529 HB2 GLU 529 -14.560 -7.181 3.459 440 HB3 GLU 529 HB1 GLU 529 -15.129 -7.029 5.112 441 HG2 GLU 529 HG2 GLU 529 -15.634 -4.646 4.643 442 HG3 GLU 529 HG1 GLU 529 -15.200 -4.937 2.960 443 H ARG 530 HN ARG 530 -11.473 -7.488 3.618 444 HA ARG 530 HA ARG 530 -11.347 -9.340 5.892 445 HB2 ARG 530 HB2 ARG 530 -10.811 -9.842 2.968 446 HB3 ARG 530 HB1 ARG 530 -10.720 -11.033 4.244 447 HG2 ARG 530 HG2 ARG 530 -13.096 -10.797 4.676 448 HG3 ARG 530 HG1 ARG 530 -13.199 -9.547 3.436 449 HD2 ARG 530 HD2 ARG 530 -12.330 -11.267 1.806 450 HD3 ARG 530 HD1 ARG 530 -12.580 -12.469 3.072 451 HE ARG 530 HE ARG 530 -14.868 -10.812 2.406 452 HH11 ARG 530 HH11 ARG 530 -13.212 -13.857 1.957 453 HH12 ARG 530 HH12 ARG 530 -14.609 -14.673 1.332 454 HH21 ARG 530 HH21 ARG 530 -16.715 -11.876 1.591 455 HH22 ARG 530 HH22 ARG 530 -16.606 -13.543 1.127 456 H ASP 531 HN ASP 531 -9.334 -7.863 3.335 457 HA ASP 531 HA ASP 531 -6.971 -9.203 4.138 458 HB2 ASP 531 HB2 ASP 531 -7.561 -6.984 2.235 459 HB3 ASP 531 HB1 ASP 531 -5.891 -7.280 2.704 460 H VAL 532 HN VAL 532 -5.090 -8.412 5.021 461 HA VAL 532 HA VAL 532 -5.355 -6.030 6.734 462 HB VAL 532 HB VAL 532 -3.899 -8.618 7.335 463 HG11 VAL 532 HG11 VAL 532 -4.103 -6.110 8.999 464 HG12 VAL 532 HG12 VAL 532 -2.654 -6.698 8.186 465 HG13 VAL 532 HG13 VAL 532 -3.364 -7.627 9.507 466 HG21 VAL 532 HG21 VAL 532 -5.495 -8.800 9.194 467 HG22 VAL 532 HG22 VAL 532 -6.297 -8.805 7.623 468 HG23 VAL 532 HG23 VAL 532 -6.309 -7.346 8.616 469 HA PRO 533 HA PRO 533 -2.130 -4.427 4.198 470 HB2 PRO 533 HB2 PRO 533 -1.523 -2.883 6.674 471 HB3 PRO 533 HB1 PRO 533 -1.769 -2.317 5.019 472 HG2 PRO 533 HG2 PRO 533 -3.689 -2.010 6.813 473 HG3 PRO 533 HG1 PRO 533 -4.089 -2.514 5.161 474 HD2 PRO 533 HD2 PRO 533 -3.930 -4.156 7.658 475 HD3 PRO 533 HD1 PRO 533 -5.106 -4.236 6.333 476 H GLU 534 HN GLU 534 -1.246 -5.245 7.587 477 HA GLU 534 HA GLU 534 1.508 -5.552 6.921 478 HB2 GLU 534 HB2 GLU 534 -0.119 -6.258 9.341 479 HB3 GLU 534 HB1 GLU 534 1.544 -6.797 9.188 480 HG2 GLU 534 HG2 GLU 534 2.178 -4.395 8.812 481 HG3 GLU 534 HG1 GLU 534 0.534 -3.978 9.266 482 H ASP 535 HN ASP 535 -1.246 -7.655 6.816 483 HA ASP 535 HA ASP 535 0.228 -10.097 6.607 484 HB2 ASP 535 HB2 ASP 535 -2.148 -10.084 7.229 485 HB3 ASP 535 HB1 ASP 535 -2.566 -9.414 5.661 486 H VAL 536 HN VAL 536 -1.180 -7.812 4.323 487 HA VAL 536 HA VAL 536 -0.377 -9.128 1.959 488 HB VAL 536 HB VAL 536 -0.817 -6.169 2.433 489 HG11 VAL 536 HG11 VAL 536 0.529 -6.639 0.416 490 HG12 VAL 536 HG12 VAL 536 -1.055 -5.955 0.037 491 HG13 VAL 536 HG13 VAL 536 -0.764 -7.683 -0.175 492 HG21 VAL 536 HG21 VAL 536 -3.025 -6.577 1.454 493 HG22 VAL 536 HG22 VAL 536 -2.786 -7.514 2.931 494 HG23 VAL 536 HG23 VAL 536 -2.657 -8.299 1.353 495 H ALA 537 HN ALA 537 1.236 -6.658 3.953 496 HA ALA 537 HA ALA 537 3.508 -6.422 2.294 497 HB1 ALA 537 HB1 ALA 537 4.580 -5.302 4.106 498 HB2 ALA 537 HB2 ALA 537 3.456 -6.005 5.275 499 HB3 ALA 537 HB3 ALA 537 2.881 -4.819 4.101 500 H GLN 538 HN GLN 538 2.494 -8.872 4.473 501 HA GLN 538 HA GLN 538 5.061 -10.061 4.878 502 HB2 GLN 538 HB2 GLN 538 2.308 -10.647 5.618 503 HB3 GLN 538 HB1 GLN 538 3.186 -12.094 5.146 504 HG2 GLN 538 HG2 GLN 538 4.316 -10.151 7.119 505 HG3 GLN 538 HG1 GLN 538 3.191 -11.415 7.606 506 HE21 GLN 538 HE21 GLN 538 5.577 -11.840 5.058 507 HE22 GLN 538 HE22 GLN 538 6.570 -12.959 5.921 508 H GLU 539 HN GLU 539 2.320 -10.751 2.694 509 HA GLU 539 HA GLU 539 3.664 -12.848 1.340 510 HB2 GLU 539 HB2 GLU 539 1.933 -12.683 -0.363 511 HB3 GLU 539 HB1 GLU 539 1.222 -12.606 1.238 512 HG2 GLU 539 HG2 GLU 539 0.899 -10.247 1.044 513 HG3 GLU 539 HG1 GLU 539 1.747 -10.212 -0.497 514 H MET 540 HN MET 540 3.641 -9.398 1.010 515 HA MET 540 HA MET 540 5.005 -9.079 -1.390 516 HB2 MET 540 HB2 MET 540 5.040 -7.521 1.173 517 HB3 MET 540 HB1 MET 540 5.985 -7.026 -0.228 518 HG2 MET 540 HG2 MET 540 3.971 -6.906 -1.565 519 HG3 MET 540 HG1 MET 540 3.014 -7.440 -0.187 520 HE1 MET 540 HE1 MET 540 1.520 -5.326 -0.874 521 HE2 MET 540 HE2 MET 540 2.710 -4.867 -2.087 522 HE3 MET 540 HE3 MET 540 2.140 -3.675 -0.916 523 H VAL 541 HN VAL 541 6.232 -9.686 1.867 524 HA VAL 541 HA VAL 541 8.982 -9.736 1.147 525 HB VAL 541 HB VAL 541 7.603 -10.970 3.541 526 HG11 VAL 541 HG11 VAL 541 9.799 -10.922 4.606 527 HG12 VAL 541 HG12 VAL 541 10.517 -10.316 3.113 528 HG13 VAL 541 HG13 VAL 541 9.817 -11.934 3.161 529 HG21 VAL 541 HG21 VAL 541 8.970 -8.301 3.231 530 HG22 VAL 541 HG22 VAL 541 8.297 -8.951 4.727 531 HG23 VAL 541 HG23 VAL 541 7.233 -8.567 3.372 532 H GLU 542 HN GLU 542 6.542 -12.250 1.667 533 HA GLU 542 HA GLU 542 8.192 -14.487 1.364 534 HB2 GLU 542 HB2 GLU 542 5.274 -14.242 0.619 535 HB3 GLU 542 HB1 GLU 542 6.143 -15.739 0.921 536 HG2 GLU 542 HG2 GLU 542 6.504 -15.080 3.236 537 HG3 GLU 542 HG1 GLU 542 5.665 -13.560 2.943 538 H SER 543 HN SER 543 6.547 -12.505 -1.034 539 HA SER 543 HA SER 543 7.238 -14.318 -3.169 540 HB2 SER 543 HB2 SER 543 5.975 -11.573 -3.289 541 HB3 SER 543 HB1 SER 543 6.089 -12.719 -4.625 542 HG SER 543 HG SER 543 4.467 -12.776 -2.345 543 H GLY 544 HN GLY 544 9.000 -12.147 -1.469 544 HA2 GLY 544 HA2 GLY 544 11.245 -11.671 -1.889 545 HA3 GLY 544 HA1 GLY 544 11.000 -12.095 -3.574 546 H TYR 545 HN TYR 545 8.537 -10.075 -2.984 547 HA TYR 545 HA TYR 545 9.636 -7.950 -4.475 548 HB2 TYR 545 HB2 TYR 545 7.156 -8.076 -2.756 549 HB3 TYR 545 HB1 TYR 545 7.569 -6.706 -3.774 550 HD1 TYR 545 HD2 TYR 545 8.195 -7.515 -6.300 551 HD2 TYR 545 HD1 TYR 545 5.575 -9.503 -3.605 552 HE1 TYR 545 HE2 TYR 545 7.081 -8.606 -8.199 553 HE2 TYR 545 HE1 TYR 545 4.458 -10.605 -5.494 554 HH TYR 545 HH TYR 545 5.755 -10.576 -8.656 555 H VAL 546 HN VAL 546 8.715 -8.127 -1.051 556 HA VAL 546 HA VAL 546 10.324 -5.717 -0.559 557 HB VAL 546 HB VAL 546 8.065 -6.883 1.087 558 HG11 VAL 546 HG11 VAL 546 9.585 -4.317 1.507 559 HG12 VAL 546 HG12 VAL 546 9.767 -5.781 2.474 560 HG13 VAL 546 HG13 VAL 546 8.232 -4.912 2.472 561 HG21 VAL 546 HG21 VAL 546 7.414 -5.799 -1.062 562 HG22 VAL 546 HG22 VAL 546 8.159 -4.308 -0.478 563 HG23 VAL 546 HG23 VAL 546 6.771 -4.995 0.369 564 H CYS 547 HN CYS 547 11.841 -5.677 1.014 565 HA CYS 547 HA CYS 547 12.947 -8.163 1.932 566 HB2 CYS 547 HB2 CYS 547 14.447 -6.345 1.373 567 HB3 CYS 547 HB1 CYS 547 13.630 -5.266 2.496 568 HG CYS 547 HG CYS 547 16.049 -5.825 3.643 569 H GLU 548 HN GLU 548 12.990 -8.909 4.041 570 HA GLU 548 HA GLU 548 10.607 -8.534 5.480 571 HB2 GLU 548 HB2 GLU 548 11.732 -10.002 7.212 572 HB3 GLU 548 HB1 GLU 548 11.542 -10.673 5.606 573 HG2 GLU 548 HG2 GLU 548 13.678 -11.298 6.389 574 HG3 GLU 548 HG1 GLU 548 13.923 -10.076 5.152 575 H GLY 549 HN GLY 549 13.312 -6.609 5.454 576 HA2 GLY 549 HA2 GLY 549 13.077 -5.756 8.227 577 HA3 GLY 549 HA1 GLY 549 14.233 -5.160 7.048 578 H ASP 550 HN ASP 550 11.588 -4.992 5.279 579 HA ASP 550 HA ASP 550 10.894 -2.299 6.262 580 HB2 ASP 550 HB2 ASP 550 10.917 -3.340 3.424 581 HB3 ASP 550 HB1 ASP 550 10.390 -1.737 3.908 582 H HIS 551 HN HIS 551 9.688 -5.019 6.755 583 HA HIS 551 HA HIS 551 7.353 -5.446 5.319 584 HB2 HIS 551 HB2 HIS 551 8.095 -7.181 6.745 585 HB3 HIS 551 HB1 HIS 551 8.136 -6.130 8.153 586 HD1 HIS 551 HD1 HIS 551 6.000 -5.892 9.505 587 HD2 HIS 551 HD2 HIS 551 5.500 -8.112 6.028 588 HE1 HIS 551 HE1 HIS 551 3.660 -6.801 9.621 589 HE2 HIS 551 HE2 HIS 551 3.369 -8.133 7.504 590 H LYS 552 HN LYS 552 7.687 -3.639 8.408 591 HA LYS 552 HA LYS 552 4.889 -3.035 8.465 592 HB2 LYS 552 HB2 LYS 552 7.174 -1.916 10.088 593 HB3 LYS 552 HB1 LYS 552 5.477 -1.576 10.391 594 HG2 LYS 552 HG2 LYS 552 5.071 -3.947 10.814 595 HG3 LYS 552 HG1 LYS 552 6.770 -4.293 10.503 596 HD2 LYS 552 HD2 LYS 552 6.498 -4.194 12.864 597 HD3 LYS 552 HD1 LYS 552 7.330 -2.716 12.380 598 HE2 LYS 552 HE2 LYS 552 5.653 -2.117 13.964 599 HE3 LYS 552 HE1 LYS 552 5.112 -1.566 12.381 600 HZ1 LYS 552 HZ1 LYS 552 4.195 -4.011 13.795 601 HZ2 LYS 552 HZ2 LYS 552 3.709 -3.562 12.236 602 HZ3 LYS 552 HZ3 LYS 552 3.305 -2.592 13.563 603 H THR 553 HN THR 553 7.741 -1.410 7.288 604 HA THR 553 HA THR 553 6.690 1.171 6.968 605 HB THR 553 HB THR 553 8.774 -0.282 5.325 606 HG1 THR 553 HG1 THR 553 8.771 0.679 7.818 607 HG21 THR 553 HG21 THR 553 9.548 1.961 4.660 608 HG22 THR 553 HG22 THR 553 8.161 2.675 5.483 609 HG23 THR 553 HG23 THR 553 7.916 1.634 4.079 610 H MET 554 HN MET 554 6.693 -1.629 4.784 611 HA MET 554 HA MET 554 5.325 -0.336 2.661 612 HB2 MET 554 HB2 MET 554 5.457 -3.273 3.340 613 HB3 MET 554 HB1 MET 554 4.937 -2.598 1.804 614 HG2 MET 554 HG2 MET 554 7.677 -2.405 3.013 615 HG3 MET 554 HG1 MET 554 7.188 -3.406 1.647 616 HE1 MET 554 HE1 MET 554 9.295 -2.362 0.395 617 HE2 MET 554 HE2 MET 554 9.644 -1.258 1.729 618 HE3 MET 554 HE3 MET 554 9.497 -0.637 0.084 619 H ALA 555 HN ALA 555 4.303 -2.361 5.346 620 HA ALA 555 HA ALA 555 1.596 -2.591 4.656 621 HB1 ALA 555 HB1 ALA 555 2.747 -3.986 6.333 622 HB2 ALA 555 HB2 ALA 555 1.255 -3.277 6.952 623 HB3 ALA 555 HB3 ALA 555 2.815 -2.595 7.415 624 H LYS 556 HN LYS 556 3.363 -0.127 6.438 625 HA LYS 556 HA LYS 556 1.109 1.297 7.374 626 HB2 LYS 556 HB2 LYS 556 3.633 1.499 8.017 627 HB3 LYS 556 HB1 LYS 556 3.719 2.621 6.667 628 HG2 LYS 556 HG2 LYS 556 1.859 2.916 9.020 629 HG3 LYS 556 HG1 LYS 556 3.421 3.716 8.865 630 HD2 LYS 556 HD2 LYS 556 2.656 4.906 6.901 631 HD3 LYS 556 HD1 LYS 556 1.125 4.030 6.932 632 HE2 LYS 556 HE2 LYS 556 0.812 6.239 7.854 633 HE3 LYS 556 HE1 LYS 556 0.631 5.037 9.132 634 HZ1 LYS 556 HZ1 LYS 556 2.858 5.525 9.879 635 HZ2 LYS 556 HZ2 LYS 556 1.950 6.950 9.834 636 HZ3 LYS 556 HZ3 LYS 556 3.083 6.629 8.621 637 H ALA 557 HN ALA 557 3.064 1.495 4.429 638 HA ALA 557 HA ALA 557 1.804 3.684 3.222 639 HB1 ALA 557 HB1 ALA 557 2.666 2.822 1.120 640 HB2 ALA 557 HB2 ALA 557 2.937 1.240 1.852 641 HB3 ALA 557 HB3 ALA 557 3.885 2.630 2.380 642 H ILE 558 HN ILE 558 1.061 0.243 3.157 643 HA ILE 558 HA ILE 558 -1.174 0.358 1.454 644 HB ILE 558 HB ILE 558 -0.625 -1.594 3.697 645 HG12 ILE 558 HG12 ILE 558 0.142 -1.781 0.787 646 HG13 ILE 558 HG11 ILE 558 1.244 -1.358 2.079 647 HG21 ILE 558 HG21 ILE 558 -2.889 -1.791 2.933 648 HG22 ILE 558 HG22 ILE 558 -1.957 -3.146 2.288 649 HG23 ILE 558 HG23 ILE 558 -2.364 -1.781 1.249 650 HD11 ILE 558 HD11 ILE 558 0.861 -3.549 3.096 651 HD12 ILE 558 HD12 ILE 558 1.516 -3.665 1.464 652 HD13 ILE 558 HD13 ILE 558 -0.198 -3.970 1.752 653 H LYS 559 HN LYS 559 -0.879 0.373 4.984 654 HA LYS 559 HA LYS 559 -3.620 0.441 5.581 655 HB2 LYS 559 HB2 LYS 559 -1.708 -0.090 7.151 656 HB3 LYS 559 HB1 LYS 559 -1.394 1.635 7.241 657 HG2 LYS 559 HG2 LYS 559 -3.665 1.983 8.129 658 HG3 LYS 559 HG1 LYS 559 -3.918 0.237 8.098 659 HD2 LYS 559 HD2 LYS 559 -1.852 1.727 9.716 660 HD3 LYS 559 HD1 LYS 559 -3.303 0.937 10.335 661 HE2 LYS 559 HE2 LYS 559 -2.428 -1.226 9.540 662 HE3 LYS 559 HE1 LYS 559 -0.964 -0.415 8.992 663 HZ1 LYS 559 HZ1 LYS 559 -0.499 -1.346 11.090 664 HZ2 LYS 559 HZ2 LYS 559 -1.916 -0.737 11.775 665 HZ3 LYS 559 HZ3 LYS 559 -0.664 0.316 11.350 666 H ASP 560 HN ASP 560 -1.261 3.018 5.045 667 HA ASP 560 HA ASP 560 -2.897 5.166 5.842 668 HB2 ASP 560 HB2 ASP 560 -0.403 5.233 5.470 669 HB3 ASP 560 HB1 ASP 560 -0.740 5.274 3.745 670 H ARG 561 HN ARG 561 -2.350 3.658 2.684 671 HA ARG 561 HA ARG 561 -4.063 5.382 1.243 672 HB2 ARG 561 HB2 ARG 561 -2.397 3.991 0.110 673 HB3 ARG 561 HB1 ARG 561 -3.233 2.538 0.629 674 HG2 ARG 561 HG2 ARG 561 -3.698 3.105 -1.718 675 HG3 ARG 561 HG1 ARG 561 -5.151 3.104 -0.717 676 HD2 ARG 561 HD2 ARG 561 -4.900 5.572 -0.494 677 HD3 ARG 561 HD1 ARG 561 -3.590 5.498 -1.662 678 HE ARG 561 HE ARG 561 -5.567 4.367 -3.037 679 HH11 ARG 561 HH11 ARG 561 -5.479 7.255 -1.083 680 HH12 ARG 561 HH12 ARG 561 -6.726 8.068 -1.972 681 HH21 ARG 561 HH21 ARG 561 -7.223 5.444 -4.242 682 HH22 ARG 561 HH22 ARG 561 -7.720 7.038 -3.773 683 H VAL 562 HN VAL 562 -4.545 2.175 2.679 684 HA VAL 562 HA VAL 562 -7.174 1.788 1.833 685 HB VAL 562 HB VAL 562 -5.758 0.716 4.276 686 HG11 VAL 562 HG11 VAL 562 -8.144 0.540 4.594 687 HG12 VAL 562 HG12 VAL 562 -7.471 -1.054 4.247 688 HG13 VAL 562 HG13 VAL 562 -8.334 -0.164 2.987 689 HG21 VAL 562 HG21 VAL 562 -6.280 -0.578 1.602 690 HG22 VAL 562 HG22 VAL 562 -5.346 -1.245 2.945 691 HG23 VAL 562 HG23 VAL 562 -4.752 0.172 2.072 692 H SER 563 HN SER 563 -5.894 3.402 4.713 693 HA SER 563 HA SER 563 -8.322 3.817 6.041 694 HB2 SER 563 HB2 SER 563 -6.062 4.258 7.009 695 HB3 SER 563 HB1 SER 563 -5.942 5.691 5.989 696 HG SER 563 HG SER 563 -7.931 5.203 7.962 697 H LEU 564 HN LEU 564 -6.612 5.901 3.715 698 HA LEU 564 HA LEU 564 -8.547 7.926 3.565 699 HB2 LEU 564 HB2 LEU 564 -6.599 6.977 1.466 700 HB3 LEU 564 HB1 LEU 564 -7.484 8.487 1.399 701 HG LEU 564 HG LEU 564 -5.459 7.756 3.516 702 HD11 LEU 564 HD11 LEU 564 -4.038 9.423 2.424 703 HD12 LEU 564 HD12 LEU 564 -5.246 9.614 1.153 704 HD13 LEU 564 HD13 LEU 564 -4.408 8.076 1.349 705 HD21 LEU 564 HD21 LEU 564 -6.918 10.336 2.964 706 HD22 LEU 564 HD22 LEU 564 -5.633 10.117 4.151 707 HD23 LEU 564 HD23 LEU 564 -7.168 9.272 4.348 708 H ILE 565 HN ILE 565 -8.089 4.992 1.651 709 HA ILE 565 HA ILE 565 -10.177 5.249 -0.159 710 HB ILE 565 HB ILE 565 -8.937 2.829 1.121 711 HG12 ILE 565 HG12 ILE 565 -8.751 3.948 -1.674 712 HG13 ILE 565 HG11 ILE 565 -7.598 4.276 -0.391 713 HG21 ILE 565 HG21 ILE 565 -11.211 2.233 0.477 714 HG22 ILE 565 HG22 ILE 565 -10.026 1.455 -0.572 715 HG23 ILE 565 HG23 ILE 565 -10.924 2.863 -1.146 716 HD11 ILE 565 HD11 ILE 565 -6.783 2.570 -1.887 717 HD12 ILE 565 HD12 ILE 565 -8.210 1.587 -1.557 718 HD13 ILE 565 HD13 ILE 565 -7.051 1.919 -0.272 719 H LYS 566 HN LYS 566 -10.208 3.601 3.001 720 HA LYS 566 HA LYS 566 -12.916 2.879 2.944 721 HB2 LYS 566 HB2 LYS 566 -11.023 3.299 5.249 722 HB3 LYS 566 HB1 LYS 566 -12.679 2.751 5.475 723 HG2 LYS 566 HG2 LYS 566 -12.198 0.826 3.997 724 HG3 LYS 566 HG1 LYS 566 -10.519 1.357 3.917 725 HD2 LYS 566 HD2 LYS 566 -10.278 1.078 6.310 726 HD3 LYS 566 HD1 LYS 566 -11.986 0.656 6.459 727 HE2 LYS 566 HE2 LYS 566 -11.609 -1.324 5.062 728 HE3 LYS 566 HE1 LYS 566 -9.903 -0.903 4.930 729 HZ1 LYS 566 HZ1 LYS 566 -10.282 -2.595 6.610 730 HZ2 LYS 566 HZ2 LYS 566 -11.325 -1.563 7.454 731 HZ3 LYS 566 HZ3 LYS 566 -9.682 -1.179 7.316 732 H ARG 567 HN ARG 567 -11.376 5.880 3.989 733 HA ARG 567 HA ARG 567 -13.596 7.049 5.236 734 HB2 ARG 567 HB2 ARG 567 -11.247 8.245 3.766 735 HB3 ARG 567 HB1 ARG 567 -12.424 9.192 4.644 736 HG2 ARG 567 HG2 ARG 567 -10.732 7.046 5.879 737 HG3 ARG 567 HG1 ARG 567 -10.339 8.765 5.902 738 HD2 ARG 567 HD2 ARG 567 -12.827 7.520 7.067 739 HD3 ARG 567 HD1 ARG 567 -11.407 8.012 7.986 740 HE ARG 567 HE ARG 567 -12.422 10.179 6.454 741 HH11 ARG 567 HH11 ARG 567 -13.017 8.307 9.340 742 HH12 ARG 567 HH12 ARG 567 -13.852 9.582 10.159 743 HH21 ARG 567 HH21 ARG 567 -13.539 11.877 7.528 744 HH22 ARG 567 HH22 ARG 567 -14.156 11.613 9.129 745 H LYS 568 HN LYS 568 -12.478 7.097 1.876 746 HA LYS 568 HA LYS 568 -14.636 8.710 0.921 747 HB2 LYS 568 HB2 LYS 568 -12.765 6.873 -0.588 748 HB3 LYS 568 HB1 LYS 568 -13.820 8.079 -1.314 749 HG2 LYS 568 HG2 LYS 568 -12.589 9.856 -0.225 750 HG3 LYS 568 HG1 LYS 568 -11.568 8.673 0.595 751 HD2 LYS 568 HD2 LYS 568 -10.757 7.880 -1.580 752 HD3 LYS 568 HD1 LYS 568 -11.765 9.081 -2.388 753 HE2 LYS 568 HE2 LYS 568 -9.526 9.665 -0.455 754 HE3 LYS 568 HE1 LYS 568 -9.436 9.821 -2.208 755 HZ1 LYS 568 HZ1 LYS 568 -11.182 11.501 -2.097 756 HZ2 LYS 568 HZ2 LYS 568 -9.840 11.951 -1.178 757 HZ3 LYS 568 HZ3 LYS 568 -11.227 11.365 -0.413 758 H ARG 569 HN ARG 569 -14.091 5.330 1.423 759 HA ARG 569 HA ARG 569 -16.253 4.303 -0.071 760 HB2 ARG 569 HB2 ARG 569 -14.675 3.283 2.262 761 HB3 ARG 569 HB1 ARG 569 -16.021 2.372 1.599 762 HG2 ARG 569 HG2 ARG 569 -14.195 3.278 -0.448 763 HG3 ARG 569 HG1 ARG 569 -13.404 2.278 0.770 764 HD2 ARG 569 HD2 ARG 569 -14.349 1.008 -1.130 765 HD3 ARG 569 HD1 ARG 569 -14.963 0.519 0.443 766 HE ARG 569 HE ARG 569 -16.434 2.170 -1.513 767 HH11 ARG 569 HH11 ARG 569 -16.376 -0.124 1.128 768 HH12 ARG 569 HH12 ARG 569 -18.102 -0.266 1.216 769 HH21 ARG 569 HH21 ARG 569 -18.712 1.998 -1.396 770 HH22 ARG 569 HH22 ARG 569 -19.432 0.947 -0.212 771 H GLU 570 HN GLU 570 -15.939 5.455 3.227 772 HA GLU 570 HA GLU 570 -18.483 4.718 4.155 773 HB2 GLU 570 HB2 GLU 570 -16.510 6.813 4.998 774 HB3 GLU 570 HB1 GLU 570 -18.055 6.616 5.817 775 HG2 GLU 570 HG2 GLU 570 -15.984 4.460 5.494 776 HG3 GLU 570 HG1 GLU 570 -16.219 5.445 6.932 777 H GLN 571 HN GLN 571 -17.329 7.902 3.008 778 HA GLN 571 HA GLN 571 -18.439 9.795 2.409 779 HB2 GLN 571 HB2 GLN 571 -20.538 7.813 1.496 780 HB3 GLN 571 HB1 GLN 571 -20.529 9.520 1.085 781 HG2 GLN 571 HG2 GLN 571 -18.321 7.609 0.370 782 HG3 GLN 571 HG1 GLN 571 -19.672 7.998 -0.690 783 HE21 GLN 571 HE21 GLN 571 -18.320 8.841 -2.255 784 HE22 GLN 571 HE22 GLN 571 -17.526 10.366 -2.078 785 H ARG 572 HN ARG 572 -18.495 9.676 4.926 786 HA ARG 572 HA ARG 572 -19.511 10.284 6.852 787 HB2 ARG 572 HB2 ARG 572 -21.836 10.968 5.046 788 HB3 ARG 572 HB1 ARG 572 -21.726 11.395 6.746 789 HG2 ARG 572 HG2 ARG 572 -19.838 12.822 6.320 790 HG3 ARG 572 HG1 ARG 572 -19.783 12.302 4.634 791 HD2 ARG 572 HD2 ARG 572 -22.053 13.789 5.950 792 HD3 ARG 572 HD1 ARG 572 -20.854 14.491 4.868 793 HE ARG 572 HE ARG 572 -21.852 12.562 3.331 794 HH11 ARG 572 HH11 ARG 572 -23.477 14.934 5.323 795 HH12 ARG 572 HH12 ARG 572 -24.892 14.987 4.323 796 HH21 ARG 572 HH21 ARG 572 -23.697 12.640 2.004 797 HH22 ARG 572 HH22 ARG 572 -25.018 13.682 2.432 Start of MODEL 16 1 H1 GLY 475 HT1 GLY 475 0.887 12.977 -3.151 2 H2 GLY 475 HT2 GLY 475 1.319 13.545 -1.615 3 H3 GLY 475 HT3 GLY 475 1.202 14.621 -2.916 4 HA2 GLY 475 HA1 GLY 475 -1.180 14.177 -3.086 5 HA3 GLY 475 HA2 GLY 475 -1.039 13.112 -1.696 6 H ALA 476 HN ALA 476 0.734 14.615 -0.142 7 HA ALA 476 HA ALA 476 -0.924 16.976 0.473 8 HB1 ALA 476 HB1 ALA 476 -1.168 15.199 2.140 9 HB2 ALA 476 HB2 ALA 476 -0.382 16.620 2.827 10 HB3 ALA 476 HB3 ALA 476 0.576 15.203 2.399 11 H MET 477 HN MET 477 0.070 18.868 0.479 12 HA MET 477 HA MET 477 2.835 19.135 -0.132 13 HB2 MET 477 HB2 MET 477 1.169 20.786 -0.862 14 HB3 MET 477 HB1 MET 477 0.833 21.199 0.813 15 HG2 MET 477 HG2 MET 477 3.067 22.071 1.085 16 HG3 MET 477 HG1 MET 477 3.488 21.569 -0.551 17 HE1 MET 477 HE1 MET 477 0.061 23.165 0.616 18 HE2 MET 477 HE2 MET 477 0.409 24.880 0.399 19 HE3 MET 477 HE3 MET 477 1.268 23.955 1.631 20 H ASP 478 HN ASP 478 0.918 19.215 2.773 21 HA ASP 478 HA ASP 478 3.142 19.905 4.492 22 HB2 ASP 478 HB2 ASP 478 1.620 19.560 6.323 23 HB3 ASP 478 HB1 ASP 478 0.762 20.449 5.073 24 HA PRO 479 HA PRO 479 4.975 15.893 4.978 25 HB2 PRO 479 HB2 PRO 479 5.168 16.723 7.827 26 HB3 PRO 479 HB1 PRO 479 6.433 16.149 6.734 27 HG2 PRO 479 HG2 PRO 479 6.268 18.716 7.356 28 HG3 PRO 479 HG1 PRO 479 6.639 18.219 5.694 29 HD2 PRO 479 HD2 PRO 479 4.060 19.220 6.834 30 HD3 PRO 479 HD1 PRO 479 4.815 19.566 5.270 31 H GLN 480 HN GLN 480 2.109 15.782 5.131 32 HA GLN 480 HA GLN 480 1.452 14.131 7.398 33 HB2 GLN 480 HB2 GLN 480 -0.312 15.383 6.287 34 HB3 GLN 480 HB1 GLN 480 0.042 14.587 4.762 35 HG2 GLN 480 HG2 GLN 480 -0.715 12.476 5.633 36 HG3 GLN 480 HG1 GLN 480 -0.950 13.184 7.229 37 HE21 GLN 480 HE21 GLN 480 -2.832 11.850 5.416 38 HE22 GLN 480 HE22 GLN 480 -4.124 12.974 5.180 39 H GLU 481 HN GLU 481 2.304 13.681 4.021 40 HA GLU 481 HA GLU 481 2.415 10.808 4.224 41 HB2 GLU 481 HB2 GLU 481 3.474 12.622 2.048 42 HB3 GLU 481 HB1 GLU 481 3.208 10.889 1.925 43 HG2 GLU 481 HG2 GLU 481 0.825 11.195 2.127 44 HG3 GLU 481 HG1 GLU 481 1.041 12.922 2.400 45 H GLU 482 HN GLU 482 3.820 10.902 6.114 46 HA GLU 482 HA GLU 482 6.511 11.927 5.735 47 HB2 GLU 482 HB2 GLU 482 6.784 11.409 8.136 48 HB3 GLU 482 HB1 GLU 482 5.404 12.449 7.818 49 HG2 GLU 482 HG2 GLU 482 3.928 10.474 7.969 50 HG3 GLU 482 HG1 GLU 482 5.331 9.498 8.396 51 H THR 483 HN THR 483 4.887 8.946 5.478 52 HA THR 483 HA THR 483 7.238 7.328 5.962 53 HB THR 483 HB THR 483 4.687 6.395 4.644 54 HG1 THR 483 HG1 THR 483 5.179 7.155 7.298 55 HG21 THR 483 HG21 THR 483 6.594 4.840 4.676 56 HG22 THR 483 HG22 THR 483 5.271 4.265 5.692 57 HG23 THR 483 HG23 THR 483 6.692 5.005 6.428 58 H GLY 484 HN GLY 484 8.430 6.238 4.360 59 HA2 GLY 484 HA2 GLY 484 8.711 7.797 1.950 60 HA3 GLY 484 HA1 GLY 484 9.743 6.475 2.470 61 H VAL 485 HN VAL 485 6.263 6.239 2.072 62 HA VAL 485 HA VAL 485 6.484 4.956 -0.506 63 HB VAL 485 HB VAL 485 5.044 3.008 0.556 64 HG11 VAL 485 HG11 VAL 485 8.050 3.069 0.722 65 HG12 VAL 485 HG12 VAL 485 7.092 2.639 -0.694 66 HG13 VAL 485 HG13 VAL 485 7.041 1.622 0.746 67 HG21 VAL 485 HG21 VAL 485 5.060 3.913 2.800 68 HG22 VAL 485 HG22 VAL 485 6.822 3.837 2.833 69 HG23 VAL 485 HG23 VAL 485 5.875 2.349 2.757 70 H ARG 486 HN ARG 486 4.349 4.363 -1.359 71 HA ARG 486 HA ARG 486 1.970 5.115 -0.009 72 HB2 ARG 486 HB2 ARG 486 2.427 7.355 -0.429 73 HB3 ARG 486 HB1 ARG 486 3.152 7.027 -1.994 74 HG2 ARG 486 HG2 ARG 486 1.005 8.179 -2.182 75 HG3 ARG 486 HG1 ARG 486 0.976 6.595 -2.951 76 HD2 ARG 486 HD2 ARG 486 -1.078 6.882 -1.772 77 HD3 ARG 486 HD1 ARG 486 -0.116 5.690 -0.902 78 HE ARG 486 HE ARG 486 -0.009 7.124 0.893 79 HH11 ARG 486 HH11 ARG 486 -1.157 8.901 -1.899 80 HH12 ARG 486 HH12 ARG 486 -1.730 10.242 -0.965 81 HH21 ARG 486 HH21 ARG 486 -0.796 8.840 2.122 82 HH22 ARG 486 HH22 ARG 486 -1.524 10.213 1.334 83 H VAL 487 HN VAL 487 0.452 3.857 -0.727 84 HA VAL 487 HA VAL 487 0.791 2.384 -3.204 85 HB VAL 487 HB VAL 487 -1.363 2.195 -1.087 86 HG11 VAL 487 HG11 VAL 487 -1.917 0.049 -2.089 87 HG12 VAL 487 HG12 VAL 487 -0.692 0.299 -3.334 88 HG13 VAL 487 HG13 VAL 487 -2.105 1.352 -3.262 89 HG21 VAL 487 HG21 VAL 487 0.814 1.641 -0.205 90 HG22 VAL 487 HG22 VAL 487 1.104 0.542 -1.553 91 HG23 VAL 487 HG23 VAL 487 -0.158 0.178 -0.377 92 H GLU 488 HN GLU 488 -0.580 2.492 -4.956 93 HA GLU 488 HA GLU 488 -2.596 4.655 -4.908 94 HB2 GLU 488 HB2 GLU 488 -0.825 3.798 -7.205 95 HB3 GLU 488 HB1 GLU 488 -2.154 4.940 -7.344 96 HG2 GLU 488 HG2 GLU 488 -0.939 6.309 -5.574 97 HG3 GLU 488 HG1 GLU 488 0.449 5.271 -5.903 98 H LEU 489 HN LEU 489 -4.356 4.397 -6.403 99 HA LEU 489 HA LEU 489 -5.351 1.683 -6.415 100 HB2 LEU 489 HB2 LEU 489 -6.580 4.251 -7.408 101 HB3 LEU 489 HB1 LEU 489 -7.403 2.710 -7.320 102 HG LEU 489 HG LEU 489 -6.303 4.135 -4.900 103 HD11 LEU 489 HD11 LEU 489 -9.142 4.084 -5.952 104 HD12 LEU 489 HD12 LEU 489 -8.052 5.471 -6.040 105 HD13 LEU 489 HD13 LEU 489 -8.580 4.864 -4.471 106 HD21 LEU 489 HD21 LEU 489 -7.730 2.620 -3.670 107 HD22 LEU 489 HD22 LEU 489 -6.653 1.692 -4.715 108 HD23 LEU 489 HD23 LEU 489 -8.340 1.923 -5.171 109 H ALA 490 HN ALA 490 -5.290 0.346 -8.104 110 HA ALA 490 HA ALA 490 -4.236 1.134 -10.659 111 HB1 ALA 490 HB1 ALA 490 -5.613 -1.389 -9.738 112 HB2 ALA 490 HB2 ALA 490 -3.878 -1.129 -9.909 113 HB3 ALA 490 HB3 ALA 490 -4.905 -1.171 -11.337 114 H GLU 491 HN GLU 491 -7.238 1.044 -9.127 115 HA GLU 491 HA GLU 491 -8.688 1.641 -11.615 116 HB2 GLU 491 HB2 GLU 491 -10.683 0.667 -10.331 117 HB3 GLU 491 HB1 GLU 491 -9.488 -0.480 -10.921 118 HG2 GLU 491 HG2 GLU 491 -8.464 -0.542 -8.696 119 HG3 GLU 491 HG1 GLU 491 -9.692 0.574 -8.108 120 H GLU 492 HN GLU 492 -11.001 2.605 -10.607 121 HA GLU 492 HA GLU 492 -10.118 4.785 -8.843 122 HB2 GLU 492 HB2 GLU 492 -12.434 4.720 -10.784 123 HB3 GLU 492 HB1 GLU 492 -12.022 6.074 -9.739 124 HG2 GLU 492 HG2 GLU 492 -9.837 6.235 -10.874 125 HG3 GLU 492 HG1 GLU 492 -10.347 4.950 -11.966 126 H ASP 493 HN ASP 493 -11.076 5.055 -6.918 127 HA ASP 493 HA ASP 493 -13.180 3.146 -6.230 128 HB2 ASP 493 HB2 ASP 493 -11.341 2.944 -4.723 129 HB3 ASP 493 HB1 ASP 493 -11.263 4.690 -4.490 130 H ASP 494 HN ASP 494 -15.195 3.852 -6.115 131 HA ASP 494 HA ASP 494 -15.865 6.165 -4.628 132 HB2 ASP 494 HB2 ASP 494 -15.264 7.305 -6.732 133 HB3 ASP 494 HB1 ASP 494 -16.438 6.315 -7.595 134 H GLY 495 HN GLY 495 -16.843 4.261 -3.645 135 HA2 GLY 495 HA2 GLY 495 -19.607 4.298 -4.036 136 HA3 GLY 495 HA1 GLY 495 -18.971 2.860 -4.821 137 H GLU 496 HN GLU 496 -18.742 1.138 -3.670 138 HA GLU 496 HA GLU 496 -18.492 1.266 -0.762 139 HB2 GLU 496 HB2 GLU 496 -20.645 -0.269 -2.233 140 HB3 GLU 496 HB1 GLU 496 -20.326 -0.384 -0.507 141 HG2 GLU 496 HG2 GLU 496 -20.920 1.980 -0.259 142 HG3 GLU 496 HG1 GLU 496 -21.261 2.066 -1.986 143 H LYS 497 HN LYS 497 -16.681 0.553 -2.893 144 HA LYS 497 HA LYS 497 -16.630 -2.154 -3.520 145 HB2 LYS 497 HB2 LYS 497 -14.488 -0.049 -3.416 146 HB3 LYS 497 HB1 LYS 497 -14.177 -1.682 -3.961 147 HG2 LYS 497 HG2 LYS 497 -15.883 -1.413 -5.708 148 HG3 LYS 497 HG1 LYS 497 -16.122 0.253 -5.180 149 HD2 LYS 497 HD2 LYS 497 -13.897 0.848 -5.804 150 HD3 LYS 497 HD1 LYS 497 -13.469 -0.840 -6.097 151 HE2 LYS 497 HE2 LYS 497 -15.113 -0.916 -7.924 152 HE3 LYS 497 HE1 LYS 497 -15.482 0.784 -7.647 153 HZ1 LYS 497 HZ1 LYS 497 -12.779 -0.220 -8.347 154 HZ2 LYS 497 HZ2 LYS 497 -13.300 1.396 -8.307 155 HZ3 LYS 497 HZ3 LYS 497 -13.896 0.344 -9.488 156 H ILE 498 HN ILE 498 -15.861 -3.903 -2.590 157 HA ILE 498 HA ILE 498 -14.840 -3.693 0.133 158 HB ILE 498 HB ILE 498 -16.000 -5.999 -1.399 159 HG12 ILE 498 HG12 ILE 498 -17.506 -4.170 -0.562 160 HG13 ILE 498 HG11 ILE 498 -17.855 -5.767 0.057 161 HG21 ILE 498 HG21 ILE 498 -14.982 -5.939 1.437 162 HG22 ILE 498 HG22 ILE 498 -14.248 -6.810 0.092 163 HG23 ILE 498 HG23 ILE 498 -15.843 -7.279 0.680 164 HD11 ILE 498 HD11 ILE 498 -16.629 -5.191 2.127 165 HD12 ILE 498 HD12 ILE 498 -18.051 -4.186 1.839 166 HD13 ILE 498 HD13 ILE 498 -16.441 -3.553 1.500 167 H ALA 499 HN ALA 499 -14.055 -4.908 -3.055 168 HA ALA 499 HA ALA 499 -11.346 -5.489 -2.085 169 HB1 ALA 499 HB1 ALA 499 -12.976 -7.201 -3.941 170 HB2 ALA 499 HB2 ALA 499 -12.534 -7.581 -2.275 171 HB3 ALA 499 HB3 ALA 499 -11.284 -7.471 -3.518 172 H ILE 500 HN ILE 500 -9.835 -4.495 -3.195 173 HA ILE 500 HA ILE 500 -10.526 -3.370 -5.829 174 HB ILE 500 HB ILE 500 -9.363 -1.350 -5.234 175 HG12 ILE 500 HG12 ILE 500 -8.798 -2.736 -2.607 176 HG13 ILE 500 HG11 ILE 500 -7.615 -2.250 -3.814 177 HG21 ILE 500 HG21 ILE 500 -10.823 -0.534 -3.440 178 HG22 ILE 500 HG22 ILE 500 -11.272 -2.202 -3.082 179 HG23 ILE 500 HG23 ILE 500 -11.703 -1.487 -4.637 180 HD11 ILE 500 HD11 ILE 500 -8.137 0.085 -3.391 181 HD12 ILE 500 HD12 ILE 500 -7.624 -0.743 -1.920 182 HD13 ILE 500 HD13 ILE 500 -9.332 -0.400 -2.188 183 H LYS 501 HN LYS 501 -8.400 -2.390 -6.790 184 HA LYS 501 HA LYS 501 -6.226 -4.344 -6.449 185 HB2 LYS 501 HB2 LYS 501 -7.508 -4.520 -8.613 186 HB3 LYS 501 HB1 LYS 501 -6.940 -2.903 -9.006 187 HG2 LYS 501 HG2 LYS 501 -4.698 -3.616 -9.151 188 HG3 LYS 501 HG1 LYS 501 -5.060 -5.161 -8.380 189 HD2 LYS 501 HD2 LYS 501 -4.762 -5.487 -10.759 190 HD3 LYS 501 HD1 LYS 501 -6.447 -5.774 -10.326 191 HE2 LYS 501 HE2 LYS 501 -7.020 -3.520 -11.099 192 HE3 LYS 501 HE1 LYS 501 -5.336 -3.249 -11.542 193 HZ1 LYS 501 HZ1 LYS 501 -7.144 -5.292 -12.709 194 HZ2 LYS 501 HZ2 LYS 501 -5.513 -5.101 -13.110 195 HZ3 LYS 501 HZ3 LYS 501 -6.618 -3.876 -13.465 196 H LEU 502 HN LEU 502 -4.495 -3.451 -5.593 197 HA LEU 502 HA LEU 502 -4.048 -0.555 -5.921 198 HB2 LEU 502 HB2 LEU 502 -3.283 -2.451 -3.706 199 HB3 LEU 502 HB1 LEU 502 -2.756 -0.785 -3.793 200 HG LEU 502 HG LEU 502 -5.668 -1.535 -3.697 201 HD11 LEU 502 HD11 LEU 502 -4.548 -2.454 -1.727 202 HD12 LEU 502 HD12 LEU 502 -5.589 -1.094 -1.305 203 HD13 LEU 502 HD13 LEU 502 -3.841 -0.872 -1.393 204 HD21 LEU 502 HD21 LEU 502 -4.217 0.994 -2.943 205 HD22 LEU 502 HD22 LEU 502 -5.963 0.742 -3.002 206 HD23 LEU 502 HD23 LEU 502 -5.016 0.722 -4.490 207 H TRP 503 HN TRP 503 -1.843 0.174 -6.091 208 HA TRP 503 HA TRP 503 0.145 -1.934 -6.599 209 HB2 TRP 503 HB2 TRP 503 -0.139 0.721 -8.005 210 HB3 TRP 503 HB1 TRP 503 1.314 -0.257 -8.076 211 HD1 TRP 503 HD1 TRP 503 -2.429 -0.763 -8.840 212 HE1 TRP 503 HE1 TRP 503 -2.640 -2.104 -11.036 213 HE3 TRP 503 HE3 TRP 503 2.508 -1.646 -9.714 214 HZ2 TRP 503 HZ2 TRP 503 -0.929 -3.382 -12.867 215 HZ3 TRP 503 HZ3 TRP 503 3.140 -2.955 -11.693 216 HH2 TRP 503 HH2 TRP 503 1.463 -3.804 -13.235 217 H LEU 504 HN LEU 504 1.646 -1.937 -5.084 218 HA LEU 504 HA LEU 504 2.019 0.251 -3.273 219 HB2 LEU 504 HB2 LEU 504 2.300 -2.012 -2.499 220 HB3 LEU 504 HB1 LEU 504 3.534 -2.316 -3.693 221 HG LEU 504 HG LEU 504 4.956 -0.593 -2.533 222 HD11 LEU 504 HD11 LEU 504 2.805 -0.840 -0.441 223 HD12 LEU 504 HD12 LEU 504 3.241 0.612 -1.343 224 HD13 LEU 504 HD13 LEU 504 4.382 -0.089 -0.196 225 HD21 LEU 504 HD21 LEU 504 5.621 -2.117 -0.743 226 HD22 LEU 504 HD22 LEU 504 5.309 -2.980 -2.249 227 HD23 LEU 504 HD23 LEU 504 4.116 -3.015 -0.953 228 H ARG 505 HN ARG 505 2.800 2.036 -4.235 229 HA ARG 505 HA ARG 505 5.167 1.840 -5.919 230 HB2 ARG 505 HB2 ARG 505 3.130 3.921 -5.434 231 HB3 ARG 505 HB1 ARG 505 4.746 4.455 -5.880 232 HG2 ARG 505 HG2 ARG 505 4.619 2.927 -7.838 233 HG3 ARG 505 HG1 ARG 505 2.930 2.626 -7.422 234 HD2 ARG 505 HD2 ARG 505 3.045 4.316 -9.109 235 HD3 ARG 505 HD1 ARG 505 2.505 5.036 -7.597 236 HE ARG 505 HE ARG 505 5.335 5.240 -7.971 237 HH11 ARG 505 HH11 ARG 505 2.243 6.722 -8.695 238 HH12 ARG 505 HH12 ARG 505 2.938 8.283 -9.035 239 HH21 ARG 505 HH21 ARG 505 6.246 7.287 -8.396 240 HH22 ARG 505 HH22 ARG 505 5.212 8.609 -8.841 241 H ILE 506 HN ILE 506 7.152 2.178 -5.175 242 HA ILE 506 HA ILE 506 7.515 2.974 -2.431 243 HB ILE 506 HB ILE 506 9.725 2.663 -4.437 244 HG12 ILE 506 HG12 ILE 506 8.383 0.614 -4.527 245 HG13 ILE 506 HG11 ILE 506 9.920 0.311 -3.726 246 HG21 ILE 506 HG21 ILE 506 9.564 2.512 -1.454 247 HG22 ILE 506 HG22 ILE 506 10.437 3.688 -2.437 248 HG23 ILE 506 HG23 ILE 506 10.976 2.010 -2.381 249 HD11 ILE 506 HD11 ILE 506 8.775 0.466 -1.552 250 HD12 ILE 506 HD12 ILE 506 8.153 -0.832 -2.572 251 HD13 ILE 506 HD13 ILE 506 7.242 0.669 -2.402 252 H GLU 507 HN GLU 507 7.659 4.966 -1.767 253 HA GLU 507 HA GLU 507 7.763 7.124 -3.660 254 HB2 GLU 507 HB2 GLU 507 6.171 7.332 -1.920 255 HB3 GLU 507 HB1 GLU 507 7.344 6.912 -0.684 256 HG2 GLU 507 HG2 GLU 507 6.775 9.266 -0.628 257 HG3 GLU 507 HG1 GLU 507 8.473 8.999 -1.005 258 H ASP 508 HN ASP 508 9.669 6.059 -0.852 259 HA ASP 508 HA ASP 508 12.002 7.305 -2.135 260 HB2 ASP 508 HB2 ASP 508 11.207 8.669 -0.175 261 HB3 ASP 508 HB1 ASP 508 11.560 7.281 0.855 262 H ILE 509 HN ILE 509 13.243 5.693 -2.747 263 HA ILE 509 HA ILE 509 12.976 3.097 -1.610 264 HB ILE 509 HB ILE 509 14.668 2.427 -3.279 265 HG12 ILE 509 HG12 ILE 509 14.927 4.378 -5.085 266 HG13 ILE 509 HG11 ILE 509 14.849 5.373 -3.634 267 HG21 ILE 509 HG21 ILE 509 12.336 2.342 -3.817 268 HG22 ILE 509 HG22 ILE 509 13.235 2.889 -5.234 269 HG23 ILE 509 HG23 ILE 509 12.336 4.051 -4.257 270 HD11 ILE 509 HD11 ILE 509 16.727 4.113 -2.693 271 HD12 ILE 509 HD12 ILE 509 17.144 4.900 -4.217 272 HD13 ILE 509 HD13 ILE 509 16.819 3.165 -4.179 273 H LYS 510 HN LYS 510 15.094 5.737 -0.942 274 HA LYS 510 HA LYS 510 17.182 3.974 0.025 275 HB2 LYS 510 HB2 LYS 510 18.526 5.972 0.283 276 HB3 LYS 510 HB1 LYS 510 17.874 5.852 -1.335 277 HG2 LYS 510 HG2 LYS 510 17.602 8.081 -0.866 278 HG3 LYS 510 HG1 LYS 510 16.026 7.427 -0.410 279 HD2 LYS 510 HD2 LYS 510 16.803 7.275 1.918 280 HD3 LYS 510 HD1 LYS 510 18.324 8.032 1.438 281 HE2 LYS 510 HE2 LYS 510 17.001 9.985 0.608 282 HE3 LYS 510 HE1 LYS 510 15.566 9.244 1.314 283 HZ1 LYS 510 HZ1 LYS 510 16.718 9.302 3.476 284 HZ2 LYS 510 HZ2 LYS 510 16.450 10.838 2.832 285 HZ3 LYS 510 HZ3 LYS 510 17.991 10.150 2.759 286 H LYS 511 HN LYS 511 14.521 5.729 1.240 287 HA LYS 511 HA LYS 511 15.312 5.788 3.965 288 HB2 LYS 511 HB2 LYS 511 12.716 5.943 2.489 289 HB3 LYS 511 HB1 LYS 511 12.690 5.683 4.223 290 HG2 LYS 511 HG2 LYS 511 14.106 7.974 2.886 291 HG3 LYS 511 HG1 LYS 511 12.467 8.060 3.539 292 HD2 LYS 511 HD2 LYS 511 13.279 7.559 5.756 293 HD3 LYS 511 HD1 LYS 511 14.912 7.312 5.141 294 HE2 LYS 511 HE2 LYS 511 14.981 9.665 4.434 295 HE3 LYS 511 HE1 LYS 511 13.367 9.900 5.100 296 HZ1 LYS 511 HZ1 LYS 511 15.047 10.648 6.645 297 HZ2 LYS 511 HZ2 LYS 511 15.787 9.130 6.635 298 HZ3 LYS 511 HZ3 LYS 511 14.237 9.309 7.286 299 H LEU 512 HN LEU 512 14.286 3.349 1.824 300 HA LEU 512 HA LEU 512 13.530 1.433 3.867 301 HB2 LEU 512 HB2 LEU 512 14.070 0.915 0.950 302 HB3 LEU 512 HB1 LEU 512 13.075 -0.025 2.047 303 HG LEU 512 HG LEU 512 12.448 2.726 0.977 304 HD11 LEU 512 HD11 LEU 512 10.551 1.541 -0.072 305 HD12 LEU 512 HD12 LEU 512 11.262 0.016 0.453 306 HD13 LEU 512 HD13 LEU 512 12.126 1.047 -0.687 307 HD21 LEU 512 HD21 LEU 512 10.313 2.507 2.123 308 HD22 LEU 512 HD22 LEU 512 11.652 2.478 3.270 309 HD23 LEU 512 HD23 LEU 512 10.838 0.977 2.828 310 H LYS 513 HN LYS 513 14.650 -0.641 4.025 311 HA LYS 513 HA LYS 513 17.557 -0.286 3.934 312 HB2 LYS 513 HB2 LYS 513 15.994 -2.600 5.097 313 HB3 LYS 513 HB1 LYS 513 17.677 -2.192 5.403 314 HG2 LYS 513 HG2 LYS 513 15.223 -0.730 6.330 315 HG3 LYS 513 HG1 LYS 513 16.460 -1.522 7.310 316 HD2 LYS 513 HD2 LYS 513 18.106 0.119 6.569 317 HD3 LYS 513 HD1 LYS 513 16.882 0.890 5.553 318 HE2 LYS 513 HE2 LYS 513 15.569 1.421 7.549 319 HE3 LYS 513 HE1 LYS 513 16.784 0.644 8.561 320 HZ1 LYS 513 HZ1 LYS 513 17.233 3.023 6.847 321 HZ2 LYS 513 HZ2 LYS 513 18.396 2.281 7.824 322 HZ3 LYS 513 HZ3 LYS 513 17.060 3.038 8.528 323 H GLY 514 HN GLY 514 15.038 -1.678 2.229 324 HA2 GLY 514 HA2 GLY 514 16.608 -3.794 0.995 325 HA3 GLY 514 HA1 GLY 514 14.929 -3.402 0.650 326 H LYS 515 HN LYS 515 16.141 -3.885 -1.531 327 HA LYS 515 HA LYS 515 17.210 -1.356 -2.599 328 HB2 LYS 515 HB2 LYS 515 17.518 -4.189 -3.620 329 HB3 LYS 515 HB1 LYS 515 18.168 -2.758 -4.406 330 HG2 LYS 515 HG2 LYS 515 19.669 -2.350 -2.613 331 HG3 LYS 515 HG1 LYS 515 18.888 -3.568 -1.605 332 HD2 LYS 515 HD2 LYS 515 20.982 -4.410 -2.518 333 HD3 LYS 515 HD1 LYS 515 19.610 -5.316 -3.158 334 HE2 LYS 515 HE2 LYS 515 19.699 -3.985 -5.213 335 HE3 LYS 515 HE1 LYS 515 21.072 -3.087 -4.571 336 HZ1 LYS 515 HZ1 LYS 515 21.789 -4.829 -6.070 337 HZ2 LYS 515 HZ2 LYS 515 21.022 -6.002 -5.126 338 HZ3 LYS 515 HZ3 LYS 515 22.337 -5.142 -4.502 339 H TYR 516 HN TYR 516 15.665 -0.219 -3.581 340 HA TYR 516 HA TYR 516 13.796 -1.643 -5.343 341 HB2 TYR 516 HB2 TYR 516 13.056 0.578 -3.428 342 HB3 TYR 516 HB1 TYR 516 11.969 -0.171 -4.594 343 HD1 TYR 516 HD1 TYR 516 11.254 -2.487 -4.288 344 HD2 TYR 516 HD2 TYR 516 13.586 -0.481 -1.360 345 HE1 TYR 516 HE1 TYR 516 10.590 -4.165 -2.620 346 HE2 TYR 516 HE2 TYR 516 12.937 -2.158 0.316 347 HH TYR 516 HH TYR 516 11.028 -3.704 0.670 348 H LYS 517 HN LYS 517 12.918 -0.375 -7.026 349 HA LYS 517 HA LYS 517 14.686 1.765 -7.915 350 HB2 LYS 517 HB2 LYS 517 12.406 0.316 -9.279 351 HB3 LYS 517 HB1 LYS 517 13.418 1.536 -10.045 352 HG2 LYS 517 HG2 LYS 517 15.358 0.134 -9.836 353 HG3 LYS 517 HG1 LYS 517 14.446 -1.054 -8.906 354 HD2 LYS 517 HD2 LYS 517 13.795 -0.270 -11.743 355 HD3 LYS 517 HD1 LYS 517 14.794 -1.657 -11.309 356 HE2 LYS 517 HE2 LYS 517 12.910 -2.580 -10.020 357 HE3 LYS 517 HE1 LYS 517 11.915 -1.214 -10.518 358 HZ1 LYS 517 HZ1 LYS 517 13.130 -3.223 -12.332 359 HZ2 LYS 517 HZ2 LYS 517 12.183 -1.910 -12.816 360 HZ3 LYS 517 HZ3 LYS 517 11.501 -3.146 -11.890 361 H ASP 518 HN ASP 518 13.849 3.838 -8.588 362 HA ASP 518 HA ASP 518 11.872 4.747 -6.693 363 HB2 ASP 518 HB2 ASP 518 12.500 7.019 -7.426 364 HB3 ASP 518 HB1 ASP 518 13.896 6.062 -6.950 365 H ASN 519 HN ASN 519 10.936 3.128 -8.801 366 HA ASN 519 HA ASN 519 8.601 4.643 -9.407 367 HB2 ASN 519 HB2 ASN 519 10.192 5.221 -11.301 368 HB3 ASN 519 HB1 ASN 519 10.127 3.527 -11.767 369 HD21 ASN 519 HD21 ASN 519 9.233 3.991 -13.756 370 HD22 ASN 519 HD22 ASN 519 7.592 4.504 -13.941 371 H GLU 520 HN GLU 520 9.563 2.269 -7.982 372 HA GLU 520 HA GLU 520 8.588 -0.023 -9.431 373 HB2 GLU 520 HB2 GLU 520 10.540 -0.228 -7.957 374 HB3 GLU 520 HB1 GLU 520 9.570 0.282 -6.584 375 HG2 GLU 520 HG2 GLU 520 9.817 -2.068 -6.464 376 HG3 GLU 520 HG1 GLU 520 8.151 -1.731 -6.926 377 H ALA 521 HN ALA 521 6.624 -0.851 -9.293 378 HA ALA 521 HA ALA 521 4.884 -0.097 -7.058 379 HB1 ALA 521 HB1 ALA 521 4.414 1.386 -9.011 380 HB2 ALA 521 HB2 ALA 521 3.042 0.414 -8.493 381 HB3 ALA 521 HB3 ALA 521 3.957 -0.051 -9.927 382 H ILE 522 HN ILE 522 4.189 -1.813 -6.132 383 HA ILE 522 HA ILE 522 4.124 -4.344 -7.604 384 HB ILE 522 HB ILE 522 4.152 -3.731 -4.652 385 HG12 ILE 522 HG12 ILE 522 6.235 -5.147 -6.307 386 HG13 ILE 522 HG11 ILE 522 6.256 -3.415 -6.024 387 HG21 ILE 522 HG21 ILE 522 4.386 -6.138 -4.300 388 HG22 ILE 522 HG22 ILE 522 4.191 -6.411 -6.028 389 HG23 ILE 522 HG23 ILE 522 2.853 -5.756 -5.084 390 HD11 ILE 522 HD11 ILE 522 6.252 -5.435 -3.809 391 HD12 ILE 522 HD12 ILE 522 6.593 -3.708 -3.701 392 HD13 ILE 522 HD13 ILE 522 7.724 -4.781 -4.525 393 H GLU 523 HN GLU 523 2.179 -4.710 -8.485 394 HA GLU 523 HA GLU 523 -0.264 -3.648 -7.459 395 HB2 GLU 523 HB2 GLU 523 -0.105 -3.984 -9.796 396 HB3 GLU 523 HB1 GLU 523 0.366 -5.663 -9.613 397 HG2 GLU 523 HG2 GLU 523 -1.916 -6.066 -8.609 398 HG3 GLU 523 HG1 GLU 523 -2.325 -4.419 -9.083 399 H PHE 524 HN PHE 524 -1.666 -4.494 -6.084 400 HA PHE 524 HA PHE 524 -1.837 -7.345 -5.627 401 HB2 PHE 524 HB2 PHE 524 -1.576 -7.211 -3.200 402 HB3 PHE 524 HB1 PHE 524 -0.111 -6.644 -3.992 403 HD1 PHE 524 HD2 PHE 524 0.383 -4.194 -4.047 404 HD2 PHE 524 HD1 PHE 524 -2.832 -5.824 -1.783 405 HE1 PHE 524 HE2 PHE 524 0.274 -2.127 -2.721 406 HE2 PHE 524 HE1 PHE 524 -2.938 -3.761 -0.447 407 HZ PHE 524 HZ PHE 524 -1.385 -1.911 -0.915 408 H SER 525 HN SER 525 -3.881 -7.953 -5.030 409 HA SER 525 HA SER 525 -5.925 -5.909 -5.131 410 HB2 SER 525 HB2 SER 525 -7.438 -7.972 -4.899 411 HB3 SER 525 HB1 SER 525 -6.442 -7.879 -6.352 412 HG SER 525 HG SER 525 -5.904 -9.828 -5.711 413 H PHE 526 HN PHE 526 -7.380 -5.404 -3.401 414 HA PHE 526 HA PHE 526 -6.547 -6.506 -0.802 415 HB2 PHE 526 HB2 PHE 526 -5.461 -4.237 -1.351 416 HB3 PHE 526 HB1 PHE 526 -7.075 -3.563 -1.175 417 HD1 PHE 526 HD1 PHE 526 -8.162 -3.489 0.989 418 HD2 PHE 526 HD2 PHE 526 -4.227 -5.034 0.556 419 HE1 PHE 526 HE1 PHE 526 -7.831 -3.312 3.421 420 HE2 PHE 526 HE2 PHE 526 -3.888 -4.868 2.986 421 HZ PHE 526 HZ PHE 526 -5.692 -4.004 4.420 422 H ASP 527 HN ASP 527 -8.238 -7.409 0.056 423 HA ASP 527 HA ASP 527 -10.895 -6.305 -0.307 424 HB2 ASP 527 HB2 ASP 527 -10.397 -8.783 -0.133 425 HB3 ASP 527 HB1 ASP 527 -10.032 -8.511 1.565 426 H LEU 528 HN LEU 528 -11.521 -4.646 0.847 427 HA LEU 528 HA LEU 528 -9.896 -3.530 2.875 428 HB2 LEU 528 HB2 LEU 528 -12.703 -2.835 2.022 429 HB3 LEU 528 HB1 LEU 528 -11.654 -1.825 2.994 430 HG LEU 528 HG LEU 528 -10.992 -2.676 0.177 431 HD11 LEU 528 HD11 LEU 528 -12.196 -0.093 1.153 432 HD12 LEU 528 HD12 LEU 528 -13.009 -1.314 0.174 433 HD13 LEU 528 HD13 LEU 528 -11.640 -0.420 -0.488 434 HD21 LEU 528 HD21 LEU 528 -9.857 -0.442 1.846 435 HD22 LEU 528 HD22 LEU 528 -9.288 -1.010 0.275 436 HD23 LEU 528 HD23 LEU 528 -9.115 -2.033 1.699 437 H GLU 529 HN GLU 529 -12.232 -5.948 3.020 438 HA GLU 529 HA GLU 529 -12.827 -5.367 5.830 439 HB2 GLU 529 HB2 GLU 529 -14.114 -7.329 3.929 440 HB3 GLU 529 HB1 GLU 529 -14.583 -7.093 5.607 441 HG2 GLU 529 HG2 GLU 529 -14.755 -5.084 3.385 442 HG3 GLU 529 HG1 GLU 529 -16.099 -5.922 4.160 443 H ARG 530 HN ARG 530 -11.690 -7.948 3.681 444 HA ARG 530 HA ARG 530 -11.042 -9.656 5.918 445 HB2 ARG 530 HB2 ARG 530 -10.815 -9.942 2.939 446 HB3 ARG 530 HB1 ARG 530 -10.185 -11.145 4.047 447 HG2 ARG 530 HG2 ARG 530 -12.398 -11.504 4.960 448 HG3 ARG 530 HG1 ARG 530 -13.047 -10.248 3.906 449 HD2 ARG 530 HD2 ARG 530 -13.443 -12.513 3.021 450 HD3 ARG 530 HD1 ARG 530 -12.447 -11.533 1.947 451 HE ARG 530 HE ARG 530 -11.116 -13.350 3.818 452 HH11 ARG 530 HH11 ARG 530 -12.014 -12.552 0.533 453 HH12 ARG 530 HH12 ARG 530 -10.909 -13.683 -0.176 454 HH21 ARG 530 HH21 ARG 530 -9.663 -14.832 2.892 455 HH22 ARG 530 HH22 ARG 530 -9.570 -14.987 1.167 456 H ASP 531 HN ASP 531 -9.204 -8.085 3.294 457 HA ASP 531 HA ASP 531 -6.745 -9.232 4.110 458 HB2 ASP 531 HB2 ASP 531 -7.453 -7.068 2.159 459 HB3 ASP 531 HB1 ASP 531 -5.772 -7.395 2.562 460 H VAL 532 HN VAL 532 -4.964 -8.336 5.042 461 HA VAL 532 HA VAL 532 -5.389 -5.872 6.604 462 HB VAL 532 HB VAL 532 -3.927 -8.389 7.453 463 HG11 VAL 532 HG11 VAL 532 -4.289 -5.800 8.959 464 HG12 VAL 532 HG12 VAL 532 -2.778 -6.389 8.269 465 HG13 VAL 532 HG13 VAL 532 -3.547 -7.270 9.589 466 HG21 VAL 532 HG21 VAL 532 -6.321 -8.641 7.613 467 HG22 VAL 532 HG22 VAL 532 -6.455 -7.104 8.470 468 HG23 VAL 532 HG23 VAL 532 -5.638 -8.471 9.232 469 HA PRO 533 HA PRO 533 -2.050 -4.196 4.292 470 HB2 PRO 533 HB2 PRO 533 -1.507 -2.845 6.908 471 HB3 PRO 533 HB1 PRO 533 -1.627 -2.150 5.289 472 HG2 PRO 533 HG2 PRO 533 -3.659 -1.882 6.937 473 HG3 PRO 533 HG1 PRO 533 -3.965 -2.331 5.249 474 HD2 PRO 533 HD2 PRO 533 -3.960 -4.053 7.698 475 HD3 PRO 533 HD1 PRO 533 -5.076 -4.064 6.319 476 H GLU 534 HN GLU 534 -1.328 -5.333 7.590 477 HA GLU 534 HA GLU 534 1.463 -5.601 7.057 478 HB2 GLU 534 HB2 GLU 534 -0.313 -6.509 9.305 479 HB3 GLU 534 HB1 GLU 534 1.379 -6.973 9.224 480 HG2 GLU 534 HG2 GLU 534 2.009 -4.599 9.178 481 HG3 GLU 534 HG1 GLU 534 0.309 -4.169 9.327 482 H ASP 535 HN ASP 535 -1.319 -7.711 6.841 483 HA ASP 535 HA ASP 535 0.088 -10.161 6.639 484 HB2 ASP 535 HB2 ASP 535 -2.342 -10.007 7.131 485 HB3 ASP 535 HB1 ASP 535 -2.617 -9.439 5.492 486 H VAL 536 HN VAL 536 -1.179 -7.890 4.253 487 HA VAL 536 HA VAL 536 -0.402 -9.275 1.944 488 HB VAL 536 HB VAL 536 -0.671 -6.290 2.349 489 HG11 VAL 536 HG11 VAL 536 -0.682 -7.899 -0.205 490 HG12 VAL 536 HG12 VAL 536 0.626 -6.850 0.344 491 HG13 VAL 536 HG13 VAL 536 -0.947 -6.157 -0.065 492 HG21 VAL 536 HG21 VAL 536 -2.711 -7.507 2.893 493 HG22 VAL 536 HG22 VAL 536 -2.641 -8.336 1.335 494 HG23 VAL 536 HG23 VAL 536 -2.906 -6.594 1.393 495 H ALA 537 HN ALA 537 1.327 -6.887 3.915 496 HA ALA 537 HA ALA 537 3.578 -6.686 2.220 497 HB1 ALA 537 HB1 ALA 537 4.685 -5.579 4.044 498 HB2 ALA 537 HB2 ALA 537 3.502 -6.209 5.195 499 HB3 ALA 537 HB3 ALA 537 3.007 -5.035 3.976 500 H GLN 538 HN GLN 538 2.631 -9.050 4.590 501 HA GLN 538 HA GLN 538 5.189 -10.280 4.880 502 HB2 GLN 538 HB2 GLN 538 2.374 -11.093 5.476 503 HB3 GLN 538 HB1 GLN 538 3.624 -12.328 5.455 504 HG2 GLN 538 HG2 GLN 538 3.712 -9.836 7.128 505 HG3 GLN 538 HG1 GLN 538 3.172 -11.411 7.699 506 HE21 GLN 538 HE21 GLN 538 5.137 -12.885 6.183 507 HE22 GLN 538 HE22 GLN 538 6.661 -12.629 6.962 508 H GLU 539 HN GLU 539 2.387 -10.885 2.807 509 HA GLU 539 HA GLU 539 3.408 -13.032 1.323 510 HB2 GLU 539 HB2 GLU 539 1.680 -10.813 0.211 511 HB3 GLU 539 HB1 GLU 539 1.747 -12.484 -0.325 512 HG2 GLU 539 HG2 GLU 539 0.701 -11.556 2.340 513 HG3 GLU 539 HG1 GLU 539 -0.288 -11.963 0.941 514 H MET 540 HN MET 540 3.716 -9.561 0.964 515 HA MET 540 HA MET 540 5.134 -9.416 -1.420 516 HB2 MET 540 HB2 MET 540 5.174 -7.663 1.022 517 HB3 MET 540 HB1 MET 540 6.030 -7.266 -0.463 518 HG2 MET 540 HG2 MET 540 3.945 -7.324 -1.703 519 HG3 MET 540 HG1 MET 540 3.077 -7.745 -0.230 520 HE1 MET 540 HE1 MET 540 1.501 -5.682 -1.062 521 HE2 MET 540 HE2 MET 540 2.645 -5.376 -2.364 522 HE3 MET 540 HE3 MET 540 2.129 -4.054 -1.315 523 H VAL 541 HN VAL 541 6.284 -9.873 1.885 524 HA VAL 541 HA VAL 541 9.050 -9.802 1.277 525 HB VAL 541 HB VAL 541 7.633 -11.098 3.614 526 HG11 VAL 541 HG11 VAL 541 9.919 -11.973 3.255 527 HG12 VAL 541 HG12 VAL 541 9.759 -11.067 4.757 528 HG13 VAL 541 HG13 VAL 541 10.540 -10.325 3.362 529 HG21 VAL 541 HG21 VAL 541 8.944 -8.395 3.361 530 HG22 VAL 541 HG22 VAL 541 8.216 -9.062 4.823 531 HG23 VAL 541 HG23 VAL 541 7.208 -8.701 3.419 532 H GLU 542 HN GLU 542 6.703 -12.444 1.567 533 HA GLU 542 HA GLU 542 8.549 -14.554 1.385 534 HB2 GLU 542 HB2 GLU 542 5.634 -14.475 0.612 535 HB3 GLU 542 HB1 GLU 542 6.599 -15.943 0.729 536 HG2 GLU 542 HG2 GLU 542 7.070 -15.207 3.135 537 HG3 GLU 542 HG1 GLU 542 5.717 -14.102 2.913 538 H SER 543 HN SER 543 6.666 -12.896 -1.111 539 HA SER 543 HA SER 543 7.501 -14.567 -3.233 540 HB2 SER 543 HB2 SER 543 5.465 -13.201 -3.362 541 HB3 SER 543 HB1 SER 543 6.438 -11.733 -3.310 542 HG SER 543 HG SER 543 5.757 -13.192 -5.428 543 H GLY 544 HN GLY 544 9.019 -11.934 -1.608 544 HA2 GLY 544 HA2 GLY 544 11.401 -11.663 -1.857 545 HA3 GLY 544 HA1 GLY 544 11.225 -12.076 -3.555 546 H TYR 545 HN TYR 545 8.689 -10.144 -2.989 547 HA TYR 545 HA TYR 545 9.748 -7.931 -4.383 548 HB2 TYR 545 HB2 TYR 545 7.210 -8.306 -2.801 549 HB3 TYR 545 HB1 TYR 545 7.600 -6.795 -3.608 550 HD1 TYR 545 HD2 TYR 545 8.257 -7.096 -6.176 551 HD2 TYR 545 HD1 TYR 545 5.890 -9.819 -3.925 552 HE1 TYR 545 HE2 TYR 545 7.295 -7.976 -8.260 553 HE2 TYR 545 HE1 TYR 545 4.928 -10.711 -6.004 554 HH TYR 545 HH TYR 545 4.559 -9.942 -8.336 555 H VAL 546 HN VAL 546 8.618 -8.143 -1.014 556 HA VAL 546 HA VAL 546 10.113 -5.683 -0.465 557 HB VAL 546 HB VAL 546 7.824 -6.939 1.052 558 HG11 VAL 546 HG11 VAL 546 7.861 -5.011 2.491 559 HG12 VAL 546 HG12 VAL 546 9.239 -4.341 1.611 560 HG13 VAL 546 HG13 VAL 546 9.426 -5.822 2.552 561 HG21 VAL 546 HG21 VAL 546 7.282 -5.830 -1.113 562 HG22 VAL 546 HG22 VAL 546 7.960 -4.336 -0.464 563 HG23 VAL 546 HG23 VAL 546 6.536 -5.060 0.285 564 H CYS 547 HN CYS 547 11.564 -5.537 1.124 565 HA CYS 547 HA CYS 547 12.721 -7.956 2.177 566 HB2 CYS 547 HB2 CYS 547 14.193 -6.128 1.501 567 HB3 CYS 547 HB1 CYS 547 13.375 -5.025 2.601 568 HG CYS 547 HG CYS 547 14.780 -7.774 3.982 569 H GLU 548 HN GLU 548 12.600 -8.664 4.258 570 HA GLU 548 HA GLU 548 10.293 -7.949 5.729 571 HB2 GLU 548 HB2 GLU 548 11.084 -9.564 7.406 572 HB3 GLU 548 HB1 GLU 548 11.090 -10.221 5.781 573 HG2 GLU 548 HG2 GLU 548 13.517 -9.168 7.195 574 HG3 GLU 548 HG1 GLU 548 13.041 -10.862 7.142 575 H GLY 549 HN GLY 549 13.284 -6.492 5.557 576 HA2 GLY 549 HA2 GLY 549 13.334 -5.442 8.242 577 HA3 GLY 549 HA1 GLY 549 14.341 -4.925 6.896 578 H ASP 550 HN ASP 550 11.562 -4.762 5.429 579 HA ASP 550 HA ASP 550 10.726 -2.192 6.578 580 HB2 ASP 550 HB2 ASP 550 11.369 -2.839 3.715 581 HB3 ASP 550 HB1 ASP 550 10.267 -1.533 4.120 582 H HIS 551 HN HIS 551 9.657 -4.908 6.816 583 HA HIS 551 HA HIS 551 7.322 -5.286 5.305 584 HB2 HIS 551 HB2 HIS 551 8.063 -7.090 6.689 585 HB3 HIS 551 HB1 HIS 551 8.069 -6.084 8.132 586 HD1 HIS 551 HD1 HIS 551 5.870 -5.844 9.421 587 HD2 HIS 551 HD2 HIS 551 5.493 -8.012 5.889 588 HE1 HIS 551 HE1 HIS 551 3.553 -6.818 9.469 589 HE2 HIS 551 HE2 HIS 551 3.327 -8.090 7.308 590 H LYS 552 HN LYS 552 7.859 -3.583 8.372 591 HA LYS 552 HA LYS 552 5.199 -2.779 8.766 592 HB2 LYS 552 HB2 LYS 552 6.222 -1.140 10.346 593 HB3 LYS 552 HB1 LYS 552 6.701 -2.804 10.614 594 HG2 LYS 552 HG2 LYS 552 8.775 -2.365 9.376 595 HG3 LYS 552 HG1 LYS 552 8.307 -0.674 9.232 596 HD2 LYS 552 HD2 LYS 552 9.854 -0.909 11.065 597 HD3 LYS 552 HD1 LYS 552 8.257 -0.523 11.705 598 HE2 LYS 552 HE2 LYS 552 7.894 -2.876 12.237 599 HE3 LYS 552 HE1 LYS 552 9.471 -3.280 11.565 600 HZ1 LYS 552 HZ1 LYS 552 8.956 -1.566 13.933 601 HZ2 LYS 552 HZ2 LYS 552 10.483 -1.855 13.263 602 HZ3 LYS 552 HZ3 LYS 552 9.606 -3.128 13.946 603 H THR 553 HN THR 553 7.894 -1.356 7.043 604 HA THR 553 HA THR 553 6.879 1.222 6.643 605 HB THR 553 HB THR 553 8.591 -0.287 4.671 606 HG1 THR 553 HG1 THR 553 10.363 0.275 5.944 607 HG21 THR 553 HG21 THR 553 8.408 2.630 5.426 608 HG22 THR 553 HG22 THR 553 7.840 1.896 3.926 609 HG23 THR 553 HG23 THR 553 9.565 1.943 4.286 610 H MET 554 HN MET 554 6.672 -1.689 4.626 611 HA MET 554 HA MET 554 5.208 -0.461 2.536 612 HB2 MET 554 HB2 MET 554 5.394 -3.381 3.271 613 HB3 MET 554 HB1 MET 554 4.827 -2.740 1.735 614 HG2 MET 554 HG2 MET 554 7.590 -2.517 2.880 615 HG3 MET 554 HG1 MET 554 7.080 -3.497 1.510 616 HE1 MET 554 HE1 MET 554 9.194 -2.411 0.302 617 HE2 MET 554 HE2 MET 554 9.517 -1.306 1.641 618 HE3 MET 554 HE3 MET 554 9.372 -0.684 -0.003 619 H ALA 555 HN ALA 555 4.279 -2.417 5.317 620 HA ALA 555 HA ALA 555 1.529 -2.566 4.756 621 HB1 ALA 555 HB1 ALA 555 2.658 -3.957 6.446 622 HB2 ALA 555 HB2 ALA 555 1.267 -3.108 7.124 623 HB3 ALA 555 HB3 ALA 555 2.901 -2.528 7.453 624 H LYS 556 HN LYS 556 3.510 -0.118 6.294 625 HA LYS 556 HA LYS 556 1.415 1.534 7.228 626 HB2 LYS 556 HB2 LYS 556 3.659 1.772 8.081 627 HB3 LYS 556 HB1 LYS 556 4.267 2.155 6.476 628 HG2 LYS 556 HG2 LYS 556 4.063 4.143 7.858 629 HG3 LYS 556 HG1 LYS 556 2.992 4.203 6.460 630 HD2 LYS 556 HD2 LYS 556 1.095 3.625 7.816 631 HD3 LYS 556 HD1 LYS 556 2.132 3.382 9.226 632 HE2 LYS 556 HE2 LYS 556 0.926 5.567 9.206 633 HE3 LYS 556 HE1 LYS 556 2.678 5.702 9.324 634 HZ1 LYS 556 HZ1 LYS 556 1.135 6.003 6.806 635 HZ2 LYS 556 HZ2 LYS 556 2.798 6.263 7.005 636 HZ3 LYS 556 HZ3 LYS 556 1.682 7.289 7.755 637 H ALA 557 HN ALA 557 3.124 1.289 4.167 638 HA ALA 557 HA ALA 557 1.939 3.542 2.924 639 HB1 ALA 557 HB1 ALA 557 2.691 2.562 0.835 640 HB2 ALA 557 HB2 ALA 557 2.925 1.000 1.621 641 HB3 ALA 557 HB3 ALA 557 3.953 2.366 2.055 642 H ILE 558 HN ILE 558 1.129 0.125 3.039 643 HA ILE 558 HA ILE 558 -1.165 0.207 1.414 644 HB ILE 558 HB ILE 558 -0.596 -1.659 3.725 645 HG12 ILE 558 HG12 ILE 558 0.126 -1.950 0.812 646 HG13 ILE 558 HG11 ILE 558 1.250 -1.550 2.090 647 HG21 ILE 558 HG21 ILE 558 -2.400 -1.903 1.331 648 HG22 ILE 558 HG22 ILE 558 -2.873 -1.867 3.035 649 HG23 ILE 558 HG23 ILE 558 -1.975 -3.244 2.392 650 HD11 ILE 558 HD11 ILE 558 1.418 -3.879 1.480 651 HD12 ILE 558 HD12 ILE 558 -0.294 -4.112 1.835 652 HD13 ILE 558 HD13 ILE 558 0.831 -3.710 3.132 653 H LYS 559 HN LYS 559 -0.788 0.297 4.936 654 HA LYS 559 HA LYS 559 -3.486 0.523 5.629 655 HB2 LYS 559 HB2 LYS 559 -1.254 0.179 7.028 656 HB3 LYS 559 HB1 LYS 559 -1.370 1.919 7.224 657 HG2 LYS 559 HG2 LYS 559 -3.460 -0.094 8.027 658 HG3 LYS 559 HG1 LYS 559 -2.339 0.735 9.102 659 HD2 LYS 559 HD2 LYS 559 -3.354 2.853 8.633 660 HD3 LYS 559 HD1 LYS 559 -4.366 2.140 7.375 661 HE2 LYS 559 HE2 LYS 559 -5.400 0.703 9.130 662 HE3 LYS 559 HE1 LYS 559 -4.495 1.616 10.338 663 HZ1 LYS 559 HZ1 LYS 559 -6.762 2.446 10.062 664 HZ2 LYS 559 HZ2 LYS 559 -6.453 2.780 8.435 665 HZ3 LYS 559 HZ3 LYS 559 -5.622 3.621 9.639 666 H ASP 560 HN ASP 560 -1.017 2.986 5.017 667 HA ASP 560 HA ASP 560 -2.426 5.275 5.617 668 HB2 ASP 560 HB2 ASP 560 -0.053 5.265 5.016 669 HB3 ASP 560 HB1 ASP 560 -0.477 4.881 3.355 670 H ARG 561 HN ARG 561 -2.192 3.787 2.382 671 HA ARG 561 HA ARG 561 -4.044 5.494 1.137 672 HB2 ARG 561 HB2 ARG 561 -2.491 4.117 -0.126 673 HB3 ARG 561 HB1 ARG 561 -3.288 2.665 0.444 674 HG2 ARG 561 HG2 ARG 561 -3.935 3.298 -1.854 675 HG3 ARG 561 HG1 ARG 561 -5.292 3.217 -0.730 676 HD2 ARG 561 HD2 ARG 561 -5.759 5.202 -1.750 677 HD3 ARG 561 HD1 ARG 561 -4.761 5.782 -0.442 678 HE ARG 561 HE ARG 561 -2.983 5.332 -2.441 679 HH11 ARG 561 HH11 ARG 561 -5.954 7.173 -2.202 680 HH12 ARG 561 HH12 ARG 561 -5.452 8.370 -3.353 681 HH21 ARG 561 HH21 ARG 561 -2.330 6.905 -3.964 682 HH22 ARG 561 HH22 ARG 561 -3.398 8.210 -4.367 683 H VAL 562 HN VAL 562 -4.473 2.272 2.555 684 HA VAL 562 HA VAL 562 -7.154 1.927 1.915 685 HB VAL 562 HB VAL 562 -5.680 0.893 4.342 686 HG11 VAL 562 HG11 VAL 562 -7.412 -0.835 4.406 687 HG12 VAL 562 HG12 VAL 562 -8.266 -0.016 3.095 688 HG13 VAL 562 HG13 VAL 562 -8.083 0.776 4.660 689 HG21 VAL 562 HG21 VAL 562 -6.210 -0.355 1.648 690 HG22 VAL 562 HG22 VAL 562 -5.440 -1.157 3.017 691 HG23 VAL 562 HG23 VAL 562 -4.650 0.217 2.243 692 H SER 563 HN SER 563 -5.704 3.757 4.565 693 HA SER 563 HA SER 563 -7.981 4.239 6.064 694 HB2 SER 563 HB2 SER 563 -5.554 5.967 5.560 695 HB3 SER 563 HB1 SER 563 -6.714 6.197 6.847 696 HG SER 563 HG SER 563 -4.994 3.989 6.467 697 H LEU 564 HN LEU 564 -6.521 6.284 3.496 698 HA LEU 564 HA LEU 564 -8.525 8.136 3.168 699 HB2 LEU 564 HB2 LEU 564 -6.669 6.833 1.191 700 HB3 LEU 564 HB1 LEU 564 -7.774 8.097 0.719 701 HG LEU 564 HG LEU 564 -6.662 9.530 2.491 702 HD11 LEU 564 HD11 LEU 564 -4.670 7.309 2.337 703 HD12 LEU 564 HD12 LEU 564 -5.521 7.896 3.765 704 HD13 LEU 564 HD13 LEU 564 -4.320 8.915 2.974 705 HD21 LEU 564 HD21 LEU 564 -5.040 8.607 0.131 706 HD22 LEU 564 HD22 LEU 564 -4.850 10.141 0.983 707 HD23 LEU 564 HD23 LEU 564 -6.330 9.812 0.083 708 H ILE 565 HN ILE 565 -8.201 4.970 1.621 709 HA ILE 565 HA ILE 565 -10.438 5.048 -0.030 710 HB ILE 565 HB ILE 565 -9.105 2.698 1.299 711 HG12 ILE 565 HG12 ILE 565 -8.883 3.795 -1.509 712 HG13 ILE 565 HG11 ILE 565 -7.732 4.126 -0.219 713 HG21 ILE 565 HG21 ILE 565 -11.384 2.117 0.620 714 HG22 ILE 565 HG22 ILE 565 -10.181 1.305 -0.381 715 HG23 ILE 565 HG23 ILE 565 -11.049 2.708 -1.009 716 HD11 ILE 565 HD11 ILE 565 -7.182 1.777 -0.089 717 HD12 ILE 565 HD12 ILE 565 -6.948 2.392 -1.724 718 HD13 ILE 565 HD13 ILE 565 -8.368 1.420 -1.341 719 H LYS 566 HN LYS 566 -10.162 3.612 3.230 720 HA LYS 566 HA LYS 566 -12.896 2.930 3.417 721 HB2 LYS 566 HB2 LYS 566 -10.771 3.321 5.516 722 HB3 LYS 566 HB1 LYS 566 -12.412 2.832 5.913 723 HG2 LYS 566 HG2 LYS 566 -12.151 0.853 4.480 724 HG3 LYS 566 HG1 LYS 566 -10.487 1.336 4.149 725 HD2 LYS 566 HD2 LYS 566 -9.919 1.123 6.491 726 HD3 LYS 566 HD1 LYS 566 -11.598 0.760 6.893 727 HE2 LYS 566 HE2 LYS 566 -11.463 -1.272 5.508 728 HE3 LYS 566 HE1 LYS 566 -9.769 -0.914 5.175 729 HZ1 LYS 566 HZ1 LYS 566 -9.281 -1.145 7.518 730 HZ2 LYS 566 HZ2 LYS 566 -10.041 -2.545 6.954 731 HZ3 LYS 566 HZ3 LYS 566 -10.911 -1.425 7.871 732 H ARG 567 HN ARG 567 -11.138 5.869 4.148 733 HA ARG 567 HA ARG 567 -13.159 7.197 5.597 734 HB2 ARG 567 HB2 ARG 567 -10.928 8.058 5.648 735 HB3 ARG 567 HB1 ARG 567 -10.876 8.199 3.899 736 HG2 ARG 567 HG2 ARG 567 -11.115 10.370 4.896 737 HG3 ARG 567 HG1 ARG 567 -12.575 9.955 4.002 738 HD2 ARG 567 HD2 ARG 567 -13.628 9.262 6.136 739 HD3 ARG 567 HD1 ARG 567 -12.186 9.813 6.989 740 HE ARG 567 HE ARG 567 -12.966 11.975 5.527 741 HH11 ARG 567 HH11 ARG 567 -14.523 9.933 7.907 742 HH12 ARG 567 HH12 ARG 567 -15.590 11.182 8.459 743 HH21 ARG 567 HH21 ARG 567 -14.366 13.618 6.261 744 HH22 ARG 567 HH22 ARG 567 -15.498 13.276 7.531 745 H LYS 568 HN LYS 568 -12.550 6.784 2.174 746 HA LYS 568 HA LYS 568 -14.546 8.621 1.280 747 HB2 LYS 568 HB2 LYS 568 -13.214 6.292 -0.120 748 HB3 LYS 568 HB1 LYS 568 -14.240 7.483 -0.907 749 HG2 LYS 568 HG2 LYS 568 -12.682 9.219 -0.521 750 HG3 LYS 568 HG1 LYS 568 -11.742 8.219 0.585 751 HD2 LYS 568 HD2 LYS 568 -10.523 8.268 -1.434 752 HD3 LYS 568 HD1 LYS 568 -11.300 6.689 -1.382 753 HE2 LYS 568 HE2 LYS 568 -12.400 9.060 -2.881 754 HE3 LYS 568 HE1 LYS 568 -11.368 7.832 -3.608 755 HZ1 LYS 568 HZ1 LYS 568 -13.540 7.198 -4.110 756 HZ2 LYS 568 HZ2 LYS 568 -14.112 7.527 -2.557 757 HZ3 LYS 568 HZ3 LYS 568 -13.108 6.184 -2.819 758 H ARG 569 HN ARG 569 -14.506 5.315 2.294 759 HA ARG 569 HA ARG 569 -17.086 4.649 1.197 760 HB2 ARG 569 HB2 ARG 569 -15.334 3.207 3.161 761 HB3 ARG 569 HB1 ARG 569 -16.824 2.566 2.483 762 HG2 ARG 569 HG2 ARG 569 -15.721 3.001 0.206 763 HG3 ARG 569 HG1 ARG 569 -14.217 3.098 1.130 764 HD2 ARG 569 HD2 ARG 569 -16.123 0.796 0.897 765 HD3 ARG 569 HD1 ARG 569 -14.424 0.867 0.447 766 HE ARG 569 HE ARG 569 -14.562 1.402 3.162 767 HH11 ARG 569 HH11 ARG 569 -15.219 -1.292 1.014 768 HH12 ARG 569 HH12 ARG 569 -15.022 -2.481 2.265 769 HH21 ARG 569 HH21 ARG 569 -14.306 -0.148 4.783 770 HH22 ARG 569 HH22 ARG 569 -14.505 -1.840 4.414 771 H GLU 570 HN GLU 570 -16.008 6.334 3.909 772 HA GLU 570 HA GLU 570 -17.925 5.571 5.837 773 HB2 GLU 570 HB2 GLU 570 -16.408 8.152 5.524 774 HB3 GLU 570 HB1 GLU 570 -17.356 7.708 6.940 775 HG2 GLU 570 HG2 GLU 570 -15.006 6.163 5.888 776 HG3 GLU 570 HG1 GLU 570 -14.955 7.310 7.218 777 H GLN 571 HN GLN 571 -18.133 7.357 2.984 778 HA GLN 571 HA GLN 571 -20.882 8.153 3.629 779 HB2 GLN 571 HB2 GLN 571 -19.430 10.158 3.632 780 HB3 GLN 571 HB1 GLN 571 -18.887 9.761 2.008 781 HG2 GLN 571 HG2 GLN 571 -20.543 11.515 1.941 782 HG3 GLN 571 HG1 GLN 571 -21.166 10.055 1.176 783 HE21 GLN 571 HE21 GLN 571 -21.456 12.247 3.832 784 HE22 GLN 571 HE22 GLN 571 -22.941 11.617 4.456 785 H ARG 572 HN ARG 572 -22.269 8.235 1.709 786 HA ARG 572 HA ARG 572 -21.730 6.063 -0.062 787 HB2 ARG 572 HB2 ARG 572 -23.916 6.699 -1.099 788 HB3 ARG 572 HB1 ARG 572 -23.996 6.393 0.629 789 HG2 ARG 572 HG2 ARG 572 -23.932 8.839 1.017 790 HG3 ARG 572 HG1 ARG 572 -23.989 9.079 -0.730 791 HD2 ARG 572 HD2 ARG 572 -26.129 7.830 -0.782 792 HD3 ARG 572 HD1 ARG 572 -26.077 7.730 0.978 793 HE ARG 572 HE ARG 572 -25.931 10.396 -0.164 794 HH11 ARG 572 HH11 ARG 572 -27.945 7.923 1.282 795 HH12 ARG 572 HH12 ARG 572 -29.212 9.027 1.708 796 HH21 ARG 572 HH21 ARG 572 -27.604 11.847 0.378 797 HH22 ARG 572 HH22 ARG 572 -29.021 11.258 1.186 Start of MODEL 17 1 H1 GLY 475 HT1 GLY 475 5.468 19.619 6.489 2 H2 GLY 475 HT2 GLY 475 4.674 20.636 7.583 3 H3 GLY 475 HT3 GLY 475 5.705 19.426 8.152 4 HA2 GLY 475 HA1 GLY 475 6.528 21.784 6.553 5 HA3 GLY 475 HA2 GLY 475 6.770 21.589 8.284 6 H ALA 476 HN ALA 476 7.839 20.670 5.109 7 HA ALA 476 HA ALA 476 10.180 19.387 6.319 8 HB1 ALA 476 HB1 ALA 476 10.058 17.518 4.768 9 HB2 ALA 476 HB2 ALA 476 8.564 18.162 4.088 10 HB3 ALA 476 HB3 ALA 476 8.601 17.601 5.757 11 H MET 477 HN MET 477 12.038 19.946 5.378 12 HA MET 477 HA MET 477 11.985 21.369 2.825 13 HB2 MET 477 HB2 MET 477 14.154 20.933 4.882 14 HB3 MET 477 HB1 MET 477 14.483 21.625 3.305 15 HG2 MET 477 HG2 MET 477 14.282 23.413 4.838 16 HG3 MET 477 HG1 MET 477 12.839 23.422 3.830 17 HE1 MET 477 HE1 MET 477 14.322 22.712 7.401 18 HE2 MET 477 HE2 MET 477 13.773 21.116 6.895 19 HE3 MET 477 HE3 MET 477 12.951 21.954 8.210 20 H ASP 478 HN ASP 478 12.318 18.322 4.077 21 HA ASP 478 HA ASP 478 13.936 17.252 1.888 22 HB2 ASP 478 HB2 ASP 478 13.761 15.125 3.132 23 HB3 ASP 478 HB1 ASP 478 14.391 16.415 4.149 24 HA PRO 479 HA PRO 479 10.816 15.648 -0.858 25 HB2 PRO 479 HB2 PRO 479 11.764 13.048 0.327 26 HB3 PRO 479 HB1 PRO 479 11.339 13.403 -1.355 27 HG2 PRO 479 HG2 PRO 479 13.872 13.396 -0.628 28 HG3 PRO 479 HG1 PRO 479 13.267 14.688 -1.685 29 HD2 PRO 479 HD2 PRO 479 14.009 14.790 1.185 30 HD3 PRO 479 HD1 PRO 479 14.058 16.072 -0.037 31 H GLN 480 HN GLN 480 8.673 15.464 -0.613 32 HA GLN 480 HA GLN 480 7.444 15.522 1.857 33 HB2 GLN 480 HB2 GLN 480 5.323 15.168 0.618 34 HB3 GLN 480 HB1 GLN 480 6.337 16.425 -0.071 35 HG2 GLN 480 HG2 GLN 480 7.076 14.909 -1.813 36 HG3 GLN 480 HG1 GLN 480 6.132 13.603 -1.100 37 HE21 GLN 480 HE21 GLN 480 3.897 15.369 -0.436 38 HE22 GLN 480 HE22 GLN 480 3.090 15.688 -1.931 39 H GLU 481 HN GLU 481 6.658 14.128 3.193 40 HA GLU 481 HA GLU 481 5.934 12.228 4.188 41 HB2 GLU 481 HB2 GLU 481 4.644 11.716 2.191 42 HB3 GLU 481 HB1 GLU 481 6.065 11.024 1.422 43 HG2 GLU 481 HG2 GLU 481 4.504 9.335 2.288 44 HG3 GLU 481 HG1 GLU 481 6.112 9.222 2.997 45 H GLU 482 HN GLU 482 7.279 11.452 5.561 46 HA GLU 482 HA GLU 482 9.981 10.798 5.045 47 HB2 GLU 482 HB2 GLU 482 9.173 11.561 7.237 48 HB3 GLU 482 HB1 GLU 482 8.210 10.100 7.397 49 HG2 GLU 482 HG2 GLU 482 10.291 8.771 7.362 50 HG3 GLU 482 HG1 GLU 482 11.211 10.274 7.321 51 H THR 483 HN THR 483 7.017 8.981 5.052 52 HA THR 483 HA THR 483 8.285 6.393 5.052 53 HB THR 483 HB THR 483 5.480 6.884 4.091 54 HG1 THR 483 HG1 THR 483 5.464 8.080 5.946 55 HG21 THR 483 HG21 THR 483 6.397 4.596 4.080 56 HG22 THR 483 HG22 THR 483 5.056 4.760 5.212 57 HG23 THR 483 HG23 THR 483 6.713 4.726 5.810 58 H GLY 484 HN GLY 484 9.407 5.705 3.328 59 HA2 GLY 484 HA2 GLY 484 9.183 7.074 0.807 60 HA3 GLY 484 HA1 GLY 484 10.291 5.762 1.193 61 H VAL 485 HN VAL 485 6.744 5.924 1.205 62 HA VAL 485 HA VAL 485 6.550 4.232 -1.134 63 HB VAL 485 HB VAL 485 4.890 2.763 0.298 64 HG11 VAL 485 HG11 VAL 485 6.581 1.068 0.516 65 HG12 VAL 485 HG12 VAL 485 7.857 2.279 0.348 66 HG13 VAL 485 HG13 VAL 485 6.791 1.929 -1.014 67 HG21 VAL 485 HG21 VAL 485 6.966 3.591 2.304 68 HG22 VAL 485 HG22 VAL 485 5.789 2.290 2.519 69 HG23 VAL 485 HG23 VAL 485 5.244 3.963 2.360 70 H ARG 486 HN ARG 486 4.375 3.947 -1.830 71 HA ARG 486 HA ARG 486 2.203 5.213 -0.472 72 HB2 ARG 486 HB2 ARG 486 3.055 7.222 -1.435 73 HB3 ARG 486 HB1 ARG 486 3.307 6.453 -2.995 74 HG2 ARG 486 HG2 ARG 486 1.362 7.963 -2.959 75 HG3 ARG 486 HG1 ARG 486 0.930 6.298 -3.353 76 HD2 ARG 486 HD2 ARG 486 0.189 5.923 -1.065 77 HD3 ARG 486 HD1 ARG 486 0.669 7.569 -0.629 78 HE ARG 486 HE ARG 486 -1.271 7.314 -2.790 79 HH11 ARG 486 HH11 ARG 486 -0.731 7.826 0.641 80 HH12 ARG 486 HH12 ARG 486 -2.241 8.645 0.887 81 HH21 ARG 486 HH21 ARG 486 -3.258 8.393 -2.465 82 HH22 ARG 486 HH22 ARG 486 -3.681 8.967 -0.882 83 H VAL 487 HN VAL 487 0.349 4.252 -1.016 84 HA VAL 487 HA VAL 487 0.459 2.337 -3.235 85 HB VAL 487 HB VAL 487 -1.363 2.367 -0.827 86 HG11 VAL 487 HG11 VAL 487 -2.409 1.324 -2.776 87 HG12 VAL 487 HG12 VAL 487 -2.012 0.124 -1.546 88 HG13 VAL 487 HG13 VAL 487 -0.998 0.288 -2.981 89 HG21 VAL 487 HG21 VAL 487 0.950 1.929 -0.279 90 HG22 VAL 487 HG22 VAL 487 1.023 0.671 -1.517 91 HG23 VAL 487 HG23 VAL 487 -0.015 0.460 -0.103 92 H GLU 488 HN GLU 488 -0.730 2.616 -4.932 93 HA GLU 488 HA GLU 488 -2.847 4.669 -4.862 94 HB2 GLU 488 HB2 GLU 488 -0.944 3.931 -7.089 95 HB3 GLU 488 HB1 GLU 488 -2.317 5.011 -7.290 96 HG2 GLU 488 HG2 GLU 488 -0.017 5.458 -5.401 97 HG3 GLU 488 HG1 GLU 488 -0.205 6.218 -6.982 98 H LEU 489 HN LEU 489 -4.551 4.384 -6.505 99 HA LEU 489 HA LEU 489 -5.483 1.640 -6.390 100 HB2 LEU 489 HB2 LEU 489 -6.834 4.180 -7.278 101 HB3 LEU 489 HB1 LEU 489 -7.615 2.612 -7.201 102 HG LEU 489 HG LEU 489 -6.360 3.816 -4.757 103 HD11 LEU 489 HD11 LEU 489 -7.872 5.492 -5.667 104 HD12 LEU 489 HD12 LEU 489 -8.533 4.770 -4.200 105 HD13 LEU 489 HD13 LEU 489 -9.153 4.284 -5.779 106 HD21 LEU 489 HD21 LEU 489 -7.035 1.442 -4.714 107 HD22 LEU 489 HD22 LEU 489 -8.679 1.921 -5.137 108 HD23 LEU 489 HD23 LEU 489 -7.980 2.432 -3.598 109 H ALA 490 HN ALA 490 -5.564 0.281 -8.048 110 HA ALA 490 HA ALA 490 -4.640 1.140 -10.671 111 HB1 ALA 490 HB1 ALA 490 -3.763 -0.936 -9.786 112 HB2 ALA 490 HB2 ALA 490 -4.729 -1.262 -11.221 113 HB3 ALA 490 HB3 ALA 490 -5.391 -1.583 -9.621 114 H GLU 491 HN GLU 491 -7.507 1.077 -9.086 115 HA GLU 491 HA GLU 491 -9.040 1.144 -11.550 116 HB2 GLU 491 HB2 GLU 491 -10.786 -0.341 -10.613 117 HB3 GLU 491 HB1 GLU 491 -9.264 -1.177 -10.880 118 HG2 GLU 491 HG2 GLU 491 -8.745 -1.004 -8.510 119 HG3 GLU 491 HG1 GLU 491 -10.259 -0.144 -8.234 120 H GLU 492 HN GLU 492 -11.513 1.543 -10.669 121 HA GLU 492 HA GLU 492 -11.257 4.068 -9.276 122 HB2 GLU 492 HB2 GLU 492 -13.683 2.703 -10.452 123 HB3 GLU 492 HB1 GLU 492 -13.644 4.342 -9.814 124 HG2 GLU 492 HG2 GLU 492 -12.034 4.973 -11.531 125 HG3 GLU 492 HG1 GLU 492 -12.074 3.329 -12.172 126 H ASP 493 HN ASP 493 -11.458 4.261 -7.169 127 HA ASP 493 HA ASP 493 -12.524 2.110 -5.580 128 HB2 ASP 493 HB2 ASP 493 -10.606 3.237 -4.695 129 HB3 ASP 493 HB1 ASP 493 -11.391 4.806 -4.833 130 H ASP 494 HN ASP 494 -14.670 2.037 -6.239 131 HA ASP 494 HA ASP 494 -16.436 3.698 -4.745 132 HB2 ASP 494 HB2 ASP 494 -15.930 4.861 -7.045 133 HB3 ASP 494 HB1 ASP 494 -16.937 3.585 -7.718 134 H GLY 495 HN GLY 495 -18.750 2.890 -5.989 135 HA2 GLY 495 HA2 GLY 495 -20.166 1.131 -6.431 136 HA3 GLY 495 HA1 GLY 495 -18.751 0.181 -6.841 137 H GLU 496 HN GLU 496 -18.122 1.230 -3.836 138 HA GLU 496 HA GLU 496 -18.185 0.361 -1.744 139 HB2 GLU 496 HB2 GLU 496 -20.786 -0.803 -2.734 140 HB3 GLU 496 HB1 GLU 496 -20.177 -1.090 -1.112 141 HG2 GLU 496 HG2 GLU 496 -20.268 1.261 -0.610 142 HG3 GLU 496 HG1 GLU 496 -20.738 1.628 -2.269 143 H LYS 497 HN LYS 497 -16.882 -0.866 -3.990 144 HA LYS 497 HA LYS 497 -16.981 -3.692 -3.785 145 HB2 LYS 497 HB2 LYS 497 -14.730 -1.964 -4.812 146 HB3 LYS 497 HB1 LYS 497 -15.092 -3.622 -5.251 147 HG2 LYS 497 HG2 LYS 497 -17.223 -2.851 -6.246 148 HG3 LYS 497 HG1 LYS 497 -16.743 -1.199 -5.891 149 HD2 LYS 497 HD2 LYS 497 -15.066 -3.047 -7.576 150 HD3 LYS 497 HD1 LYS 497 -16.302 -1.987 -8.255 151 HE2 LYS 497 HE2 LYS 497 -15.149 -0.055 -7.226 152 HE3 LYS 497 HE1 LYS 497 -13.885 -1.143 -6.659 153 HZ1 LYS 497 HZ1 LYS 497 -14.586 -0.898 -9.524 154 HZ2 LYS 497 HZ2 LYS 497 -13.186 -1.572 -8.841 155 HZ3 LYS 497 HZ3 LYS 497 -13.442 0.102 -8.785 156 H ILE 498 HN ILE 498 -15.964 -4.999 -2.409 157 HA ILE 498 HA ILE 498 -14.563 -3.826 -0.180 158 HB ILE 498 HB ILE 498 -15.348 -6.659 -0.782 159 HG12 ILE 498 HG12 ILE 498 -17.136 -4.964 -0.307 160 HG13 ILE 498 HG11 ILE 498 -17.073 -6.317 0.801 161 HG21 ILE 498 HG21 ILE 498 -13.368 -6.701 0.599 162 HG22 ILE 498 HG22 ILE 498 -14.775 -7.123 1.576 163 HG23 ILE 498 HG23 ILE 498 -14.071 -5.510 1.692 164 HD11 ILE 498 HD11 ILE 498 -17.467 -4.234 1.976 165 HD12 ILE 498 HD12 ILE 498 -15.966 -3.580 1.322 166 HD13 ILE 498 HD13 ILE 498 -15.921 -4.945 2.441 167 H ALA 499 HN ALA 499 -13.885 -5.747 -2.978 168 HA ALA 499 HA ALA 499 -11.066 -5.914 -2.187 169 HB1 ALA 499 HB1 ALA 499 -12.610 -7.469 -4.239 170 HB2 ALA 499 HB2 ALA 499 -12.087 -8.035 -2.651 171 HB3 ALA 499 HB3 ALA 499 -10.888 -7.664 -3.894 172 H ILE 500 HN ILE 500 -9.600 -4.764 -3.192 173 HA ILE 500 HA ILE 500 -10.358 -3.331 -5.650 174 HB ILE 500 HB ILE 500 -9.101 -1.425 -4.845 175 HG12 ILE 500 HG12 ILE 500 -8.522 -3.208 -2.480 176 HG13 ILE 500 HG11 ILE 500 -7.367 -2.435 -3.558 177 HG21 ILE 500 HG21 ILE 500 -11.455 -1.576 -4.257 178 HG22 ILE 500 HG22 ILE 500 -10.542 -0.760 -2.987 179 HG23 ILE 500 HG23 ILE 500 -11.029 -2.443 -2.780 180 HD11 ILE 500 HD11 ILE 500 -9.159 -1.014 -1.614 181 HD12 ILE 500 HD12 ILE 500 -7.961 -0.266 -2.669 182 HD13 ILE 500 HD13 ILE 500 -7.446 -1.357 -1.383 183 H LYS 501 HN LYS 501 -8.246 -2.289 -6.561 184 HA LYS 501 HA LYS 501 -6.045 -4.234 -6.459 185 HB2 LYS 501 HB2 LYS 501 -7.543 -4.285 -8.557 186 HB3 LYS 501 HB1 LYS 501 -6.828 -2.731 -8.950 187 HG2 LYS 501 HG2 LYS 501 -5.700 -4.504 -10.133 188 HG3 LYS 501 HG1 LYS 501 -4.605 -3.770 -8.962 189 HD2 LYS 501 HD2 LYS 501 -4.866 -5.603 -7.459 190 HD3 LYS 501 HD1 LYS 501 -6.192 -6.271 -8.409 191 HE2 LYS 501 HE2 LYS 501 -3.380 -5.967 -9.436 192 HE3 LYS 501 HE1 LYS 501 -3.991 -7.437 -8.682 193 HZ1 LYS 501 HZ1 LYS 501 -5.665 -7.584 -10.413 194 HZ2 LYS 501 HZ2 LYS 501 -4.116 -7.555 -11.089 195 HZ3 LYS 501 HZ3 LYS 501 -5.085 -6.170 -11.136 196 H LEU 502 HN LEU 502 -4.172 -3.319 -5.905 197 HA LEU 502 HA LEU 502 -3.945 -0.381 -6.080 198 HB2 LEU 502 HB2 LEU 502 -2.943 -2.235 -3.920 199 HB3 LEU 502 HB1 LEU 502 -2.700 -0.500 -3.967 200 HG LEU 502 HG LEU 502 -5.452 -1.704 -3.884 201 HD11 LEU 502 HD11 LEU 502 -4.178 -2.547 -1.975 202 HD12 LEU 502 HD12 LEU 502 -5.418 -1.398 -1.474 203 HD13 LEU 502 HD13 LEU 502 -3.731 -0.896 -1.548 204 HD21 LEU 502 HD21 LEU 502 -5.211 0.654 -4.557 205 HD22 LEU 502 HD22 LEU 502 -4.379 0.982 -3.038 206 HD23 LEU 502 HD23 LEU 502 -6.066 0.471 -3.027 207 H TRP 503 HN TRP 503 -1.687 0.405 -6.019 208 HA TRP 503 HA TRP 503 0.322 -1.600 -6.780 209 HB2 TRP 503 HB2 TRP 503 -0.025 1.183 -7.887 210 HB3 TRP 503 HB1 TRP 503 1.468 0.275 -8.043 211 HD1 TRP 503 HD1 TRP 503 -2.250 -0.248 -8.941 212 HE1 TRP 503 HE1 TRP 503 -2.373 -1.368 -11.252 213 HE3 TRP 503 HE3 TRP 503 2.734 -0.922 -9.767 214 HZ2 TRP 503 HZ2 TRP 503 -0.583 -2.409 -13.165 215 HZ3 TRP 503 HZ3 TRP 503 3.446 -2.005 -11.851 216 HH2 TRP 503 HH2 TRP 503 1.825 -2.734 -13.515 217 H LEU 504 HN LEU 504 1.924 -1.697 -5.348 218 HA LEU 504 HA LEU 504 2.266 0.366 -3.350 219 HB2 LEU 504 HB2 LEU 504 2.487 -1.987 -2.760 220 HB3 LEU 504 HB1 LEU 504 3.802 -2.169 -3.893 221 HG LEU 504 HG LEU 504 5.076 -0.478 -2.507 222 HD11 LEU 504 HD11 LEU 504 2.855 -1.053 -0.557 223 HD12 LEU 504 HD12 LEU 504 3.217 0.502 -1.307 224 HD13 LEU 504 HD13 LEU 504 4.361 -0.221 -0.177 225 HD21 LEU 504 HD21 LEU 504 4.289 -3.106 -1.256 226 HD22 LEU 504 HD22 LEU 504 5.707 -2.151 -0.819 227 HD23 LEU 504 HD23 LEU 504 5.576 -2.846 -2.435 228 H ARG 505 HN ARG 505 3.081 2.172 -4.232 229 HA ARG 505 HA ARG 505 5.319 2.037 -6.095 230 HB2 ARG 505 HB2 ARG 505 3.802 4.415 -5.032 231 HB3 ARG 505 HB1 ARG 505 5.021 4.463 -6.295 232 HG2 ARG 505 HG2 ARG 505 3.556 2.933 -7.629 233 HG3 ARG 505 HG1 ARG 505 2.311 3.176 -6.403 234 HD2 ARG 505 HD2 ARG 505 2.349 5.565 -6.820 235 HD3 ARG 505 HD1 ARG 505 3.640 5.350 -8.000 236 HE ARG 505 HE ARG 505 1.658 3.746 -8.924 237 HH11 ARG 505 HH11 ARG 505 1.791 7.118 -8.011 238 HH12 ARG 505 HH12 ARG 505 0.584 7.609 -9.153 239 HH21 ARG 505 HH21 ARG 505 0.064 4.372 -10.424 240 HH22 ARG 505 HH22 ARG 505 -0.414 6.036 -10.526 241 H ILE 506 HN ILE 506 7.390 2.297 -5.479 242 HA ILE 506 HA ILE 506 7.940 2.930 -2.700 243 HB ILE 506 HB ILE 506 10.001 2.459 -4.844 244 HG12 ILE 506 HG12 ILE 506 8.499 0.527 -4.833 245 HG13 ILE 506 HG11 ILE 506 10.047 0.099 -4.118 246 HG21 ILE 506 HG21 ILE 506 11.343 1.727 -2.885 247 HG22 ILE 506 HG22 ILE 506 10.036 2.308 -1.854 248 HG23 ILE 506 HG23 ILE 506 10.909 3.436 -2.891 249 HD11 ILE 506 HD11 ILE 506 9.047 0.355 -1.885 250 HD12 ILE 506 HD12 ILE 506 8.259 -0.887 -2.855 251 HD13 ILE 506 HD13 ILE 506 7.493 0.688 -2.646 252 H GLU 507 HN GLU 507 8.099 4.960 -2.068 253 HA GLU 507 HA GLU 507 8.498 7.087 -3.956 254 HB2 GLU 507 HB2 GLU 507 8.055 7.003 -0.977 255 HB3 GLU 507 HB1 GLU 507 8.293 8.498 -1.868 256 HG2 GLU 507 HG2 GLU 507 6.116 6.516 -2.456 257 HG3 GLU 507 HG1 GLU 507 5.927 7.921 -1.407 258 H ASP 508 HN ASP 508 10.370 5.406 -1.537 259 HA ASP 508 HA ASP 508 12.756 6.739 -2.536 260 HB2 ASP 508 HB2 ASP 508 11.965 8.038 -0.518 261 HB3 ASP 508 HB1 ASP 508 12.249 6.586 0.439 262 H ILE 509 HN ILE 509 13.749 4.986 -3.294 263 HA ILE 509 HA ILE 509 13.470 2.423 -2.080 264 HB ILE 509 HB ILE 509 14.953 1.623 -3.825 265 HG12 ILE 509 HG12 ILE 509 15.423 3.659 -5.569 266 HG13 ILE 509 HG11 ILE 509 15.648 4.472 -4.024 267 HG21 ILE 509 HG21 ILE 509 13.619 2.333 -5.783 268 HG22 ILE 509 HG22 ILE 509 12.880 3.581 -4.779 269 HG23 ILE 509 HG23 ILE 509 12.642 1.876 -4.388 270 HD11 ILE 509 HD11 ILE 509 17.758 3.649 -4.796 271 HD12 ILE 509 HD12 ILE 509 17.095 2.029 -5.006 272 HD13 ILE 509 HD13 ILE 509 17.259 2.712 -3.387 273 H LYS 510 HN LYS 510 15.499 5.063 -1.498 274 HA LYS 510 HA LYS 510 17.863 3.608 -0.737 275 HB2 LYS 510 HB2 LYS 510 17.057 6.488 -0.310 276 HB3 LYS 510 HB1 LYS 510 18.642 5.829 0.041 277 HG2 LYS 510 HG2 LYS 510 17.383 5.883 -2.689 278 HG3 LYS 510 HG1 LYS 510 18.528 7.079 -2.084 279 HD2 LYS 510 HD2 LYS 510 20.193 5.278 -1.774 280 HD3 LYS 510 HD1 LYS 510 19.047 4.132 -2.475 281 HE2 LYS 510 HE2 LYS 510 19.025 5.436 -4.549 282 HE3 LYS 510 HE1 LYS 510 20.179 6.568 -3.848 283 HZ1 LYS 510 HZ1 LYS 510 21.254 4.954 -5.294 284 HZ2 LYS 510 HZ2 LYS 510 20.682 3.684 -4.338 285 HZ3 LYS 510 HZ3 LYS 510 21.793 4.786 -3.700 286 H LYS 511 HN LYS 511 15.006 4.870 0.801 287 HA LYS 511 HA LYS 511 15.822 4.682 3.493 288 HB2 LYS 511 HB2 LYS 511 13.184 4.679 2.070 289 HB3 LYS 511 HB1 LYS 511 13.252 4.358 3.789 290 HG2 LYS 511 HG2 LYS 511 14.290 6.839 2.448 291 HG3 LYS 511 HG1 LYS 511 12.743 6.697 3.285 292 HD2 LYS 511 HD2 LYS 511 14.038 6.021 5.334 293 HD3 LYS 511 HD1 LYS 511 15.506 6.471 4.463 294 HE2 LYS 511 HE2 LYS 511 14.772 8.294 5.882 295 HE3 LYS 511 HE1 LYS 511 14.633 8.741 4.183 296 HZ1 LYS 511 HZ1 LYS 511 12.287 8.375 4.263 297 HZ2 LYS 511 HZ2 LYS 511 12.700 9.390 5.551 298 HZ3 LYS 511 HZ3 LYS 511 12.374 7.755 5.835 299 H LEU 512 HN LEU 512 14.958 2.321 1.165 300 HA LEU 512 HA LEU 512 14.081 0.395 3.159 301 HB2 LEU 512 HB2 LEU 512 14.246 0.005 0.184 302 HB3 LEU 512 HB1 LEU 512 13.267 -0.885 1.336 303 HG LEU 512 HG LEU 512 12.867 2.005 0.561 304 HD11 LEU 512 HD11 LEU 512 11.373 -0.498 -0.158 305 HD12 LEU 512 HD12 LEU 512 12.259 0.572 -1.244 306 HD13 LEU 512 HD13 LEU 512 10.787 1.136 -0.454 307 HD21 LEU 512 HD21 LEU 512 11.201 0.217 2.325 308 HD22 LEU 512 HD22 LEU 512 10.811 1.871 1.848 309 HD23 LEU 512 HD23 LEU 512 12.211 1.555 2.873 310 H LYS 513 HN LYS 513 14.941 -1.696 3.314 311 HA LYS 513 HA LYS 513 17.805 -1.843 2.655 312 HB2 LYS 513 HB2 LYS 513 16.205 -3.619 4.508 313 HB3 LYS 513 HB1 LYS 513 17.955 -3.544 4.368 314 HG2 LYS 513 HG2 LYS 513 16.132 -1.405 5.443 315 HG3 LYS 513 HG1 LYS 513 17.274 -2.393 6.354 316 HD2 LYS 513 HD2 LYS 513 19.131 -1.381 5.137 317 HD3 LYS 513 HD1 LYS 513 17.997 -0.420 4.188 318 HE2 LYS 513 HE2 LYS 513 18.346 -0.277 7.181 319 HE3 LYS 513 HE1 LYS 513 18.998 0.877 6.019 320 HZ1 LYS 513 HZ1 LYS 513 16.773 1.479 5.374 321 HZ2 LYS 513 HZ2 LYS 513 16.918 1.626 7.053 322 HZ3 LYS 513 HZ3 LYS 513 16.109 0.301 6.393 323 H GLY 514 HN GLY 514 16.299 -2.192 0.460 324 HA2 GLY 514 HA2 GLY 514 16.597 -5.049 -0.101 325 HA3 GLY 514 HA1 GLY 514 15.011 -4.335 -0.353 326 H LYS 515 HN LYS 515 15.278 -5.004 -2.573 327 HA LYS 515 HA LYS 515 17.106 -3.281 -4.114 328 HB2 LYS 515 HB2 LYS 515 15.942 -5.971 -4.852 329 HB3 LYS 515 HB1 LYS 515 17.019 -5.012 -5.856 330 HG2 LYS 515 HG2 LYS 515 18.828 -5.310 -4.336 331 HG3 LYS 515 HG1 LYS 515 17.765 -6.050 -3.136 332 HD2 LYS 515 HD2 LYS 515 17.341 -7.912 -4.664 333 HD3 LYS 515 HD1 LYS 515 18.409 -7.173 -5.858 334 HE2 LYS 515 HE2 LYS 515 20.298 -7.410 -4.385 335 HE3 LYS 515 HE1 LYS 515 19.258 -7.998 -3.088 336 HZ1 LYS 515 HZ1 LYS 515 18.705 -9.910 -4.497 337 HZ2 LYS 515 HZ2 LYS 515 20.354 -9.835 -4.147 338 HZ3 LYS 515 HZ3 LYS 515 19.793 -9.360 -5.670 339 H TYR 516 HN TYR 516 15.810 -1.552 -4.571 340 HA TYR 516 HA TYR 516 13.396 -2.128 -6.142 341 HB2 TYR 516 HB2 TYR 516 13.548 0.070 -4.072 342 HB3 TYR 516 HB1 TYR 516 12.136 -0.416 -5.005 343 HD1 TYR 516 HD1 TYR 516 11.101 -2.670 -4.541 344 HD2 TYR 516 HD2 TYR 516 14.104 -0.966 -2.064 345 HE1 TYR 516 HE1 TYR 516 10.507 -4.243 -2.750 346 HE2 TYR 516 HE2 TYR 516 13.521 -2.536 -0.267 347 HH TYR 516 HH TYR 516 11.712 -5.269 -0.774 348 H LYS 517 HN LYS 517 13.018 -0.761 -7.818 349 HA LYS 517 HA LYS 517 15.230 0.947 -8.599 350 HB2 LYS 517 HB2 LYS 517 14.666 -0.272 -10.432 351 HB3 LYS 517 HB1 LYS 517 13.004 -0.474 -9.913 352 HG2 LYS 517 HG2 LYS 517 12.471 1.758 -10.699 353 HG3 LYS 517 HG1 LYS 517 14.150 1.997 -11.184 354 HD2 LYS 517 HD2 LYS 517 12.876 1.420 -13.133 355 HD3 LYS 517 HD1 LYS 517 13.919 0.060 -12.729 356 HE2 LYS 517 HE2 LYS 517 11.050 0.198 -11.836 357 HE3 LYS 517 HE1 LYS 517 11.505 -0.453 -13.407 358 HZ1 LYS 517 HZ1 LYS 517 11.369 -2.296 -12.017 359 HZ2 LYS 517 HZ2 LYS 517 12.129 -1.530 -10.720 360 HZ3 LYS 517 HZ3 LYS 517 13.029 -1.984 -12.080 361 H ASP 518 HN ASP 518 15.001 3.132 -9.173 362 HA ASP 518 HA ASP 518 13.247 4.640 -7.499 363 HB2 ASP 518 HB2 ASP 518 15.170 5.485 -9.668 364 HB3 ASP 518 HB1 ASP 518 14.256 6.624 -8.693 365 H ASN 519 HN ASN 519 11.775 3.065 -9.214 366 HA ASN 519 HA ASN 519 9.757 4.693 -10.146 367 HB2 ASN 519 HB2 ASN 519 11.415 5.381 -11.902 368 HB3 ASN 519 HB1 ASN 519 11.508 3.703 -12.425 369 HD21 ASN 519 HD21 ASN 519 9.462 6.528 -12.219 370 HD22 ASN 519 HD22 ASN 519 8.334 6.033 -13.431 371 H GLU 520 HN GLU 520 9.374 2.723 -8.676 372 HA GLU 520 HA GLU 520 8.622 0.430 -10.326 373 HB2 GLU 520 HB2 GLU 520 10.895 0.032 -9.371 374 HB3 GLU 520 HB1 GLU 520 10.200 0.171 -7.764 375 HG2 GLU 520 HG2 GLU 520 8.924 -1.805 -8.046 376 HG3 GLU 520 HG1 GLU 520 9.286 -1.867 -9.772 377 H ALA 521 HN ALA 521 6.720 -0.395 -9.794 378 HA ALA 521 HA ALA 521 5.609 0.109 -7.133 379 HB1 ALA 521 HB1 ALA 521 4.077 0.604 -9.683 380 HB2 ALA 521 HB2 ALA 521 4.766 1.864 -8.662 381 HB3 ALA 521 HB3 ALA 521 3.490 0.822 -8.034 382 H ILE 522 HN ILE 522 4.443 -1.500 -6.335 383 HA ILE 522 HA ILE 522 4.404 -3.949 -7.944 384 HB ILE 522 HB ILE 522 4.450 -3.547 -4.957 385 HG12 ILE 522 HG12 ILE 522 6.522 -4.718 -6.820 386 HG13 ILE 522 HG11 ILE 522 6.545 -3.072 -6.214 387 HG21 ILE 522 HG21 ILE 522 4.719 -5.982 -4.818 388 HG22 ILE 522 HG22 ILE 522 4.485 -6.101 -6.560 389 HG23 ILE 522 HG23 ILE 522 3.167 -5.543 -5.529 390 HD11 ILE 522 HD11 ILE 522 6.774 -3.892 -3.943 391 HD12 ILE 522 HD12 ILE 522 8.061 -4.513 -4.979 392 HD13 ILE 522 HD13 ILE 522 6.706 -5.549 -4.537 393 H GLU 523 HN GLU 523 2.508 -4.144 -8.869 394 HA GLU 523 HA GLU 523 0.031 -3.190 -7.848 395 HB2 GLU 523 HB2 GLU 523 0.343 -3.344 -10.192 396 HB3 GLU 523 HB1 GLU 523 0.815 -5.026 -10.103 397 HG2 GLU 523 HG2 GLU 523 -1.527 -5.509 -9.304 398 HG3 GLU 523 HG1 GLU 523 -1.917 -3.838 -9.726 399 H PHE 524 HN PHE 524 -1.307 -4.130 -6.439 400 HA PHE 524 HA PHE 524 -1.442 -7.020 -6.185 401 HB2 PHE 524 HB2 PHE 524 -1.010 -7.074 -3.808 402 HB3 PHE 524 HB1 PHE 524 0.359 -6.307 -4.597 403 HD1 PHE 524 HD2 PHE 524 0.534 -3.778 -4.516 404 HD2 PHE 524 HD1 PHE 524 -2.194 -5.991 -2.109 405 HE1 PHE 524 HE2 PHE 524 0.324 -1.859 -2.991 406 HE2 PHE 524 HE1 PHE 524 -2.403 -4.076 -0.581 407 HZ PHE 524 HZ PHE 524 -1.143 -2.007 -1.020 408 H SER 525 HN SER 525 -3.441 -7.718 -5.471 409 HA SER 525 HA SER 525 -5.530 -5.716 -5.338 410 HB2 SER 525 HB2 SER 525 -7.007 -7.786 -5.140 411 HB3 SER 525 HB1 SER 525 -6.072 -7.646 -6.628 412 HG SER 525 HG SER 525 -5.050 -9.055 -4.405 413 H PHE 526 HN PHE 526 -7.011 -5.477 -3.541 414 HA PHE 526 HA PHE 526 -6.051 -6.682 -1.040 415 HB2 PHE 526 HB2 PHE 526 -5.051 -4.358 -1.342 416 HB3 PHE 526 HB1 PHE 526 -6.692 -3.736 -1.255 417 HD1 PHE 526 HD1 PHE 526 -7.918 -3.743 0.820 418 HD2 PHE 526 HD2 PHE 526 -3.955 -5.267 0.613 419 HE1 PHE 526 HE1 PHE 526 -7.778 -3.698 3.277 420 HE2 PHE 526 HE2 PHE 526 -3.806 -5.225 3.068 421 HZ PHE 526 HZ PHE 526 -5.720 -4.443 4.399 422 H ASP 527 HN ASP 527 -7.667 -7.609 -0.059 423 HA ASP 527 HA ASP 527 -10.385 -6.668 -0.563 424 HB2 ASP 527 HB2 ASP 527 -9.778 -9.124 -0.630 425 HB3 ASP 527 HB1 ASP 527 -9.528 -9.024 1.109 426 H LEU 528 HN LEU 528 -11.272 -5.268 0.762 427 HA LEU 528 HA LEU 528 -9.749 -4.211 2.893 428 HB2 LEU 528 HB2 LEU 528 -12.584 -3.681 2.037 429 HB3 LEU 528 HB1 LEU 528 -11.694 -2.715 3.193 430 HG LEU 528 HG LEU 528 -10.827 -3.112 0.332 431 HD11 LEU 528 HD11 LEU 528 -12.971 -1.939 0.443 432 HD12 LEU 528 HD12 LEU 528 -11.666 -0.873 -0.075 433 HD13 LEU 528 HD13 LEU 528 -12.275 -0.782 1.578 434 HD21 LEU 528 HD21 LEU 528 -9.944 -1.137 2.429 435 HD22 LEU 528 HD22 LEU 528 -9.351 -1.238 0.771 436 HD23 LEU 528 HD23 LEU 528 -9.032 -2.551 1.902 437 H GLU 529 HN GLU 529 -11.971 -6.802 2.860 438 HA GLU 529 HA GLU 529 -12.314 -6.478 5.760 439 HB2 GLU 529 HB2 GLU 529 -14.087 -7.875 3.766 440 HB3 GLU 529 HB1 GLU 529 -14.263 -8.063 5.508 441 HG2 GLU 529 HG2 GLU 529 -14.394 -5.497 5.549 442 HG3 GLU 529 HG1 GLU 529 -14.693 -5.635 3.819 443 H ARG 530 HN ARG 530 -11.310 -8.698 3.232 444 HA ARG 530 HA ARG 530 -10.755 -10.801 5.134 445 HB2 ARG 530 HB2 ARG 530 -10.284 -10.500 2.178 446 HB3 ARG 530 HB1 ARG 530 -9.738 -11.894 3.087 447 HG2 ARG 530 HG2 ARG 530 -11.990 -12.482 3.655 448 HG3 ARG 530 HG1 ARG 530 -12.600 -10.994 2.933 449 HD2 ARG 530 HD2 ARG 530 -12.902 -12.977 1.480 450 HD3 ARG 530 HD1 ARG 530 -11.915 -11.719 0.741 451 HE ARG 530 HE ARG 530 -10.328 -13.666 2.097 452 HH11 ARG 530 HH11 ARG 530 -12.090 -13.075 -0.865 453 HH12 ARG 530 HH12 ARG 530 -11.104 -14.137 -1.817 454 HH21 ARG 530 HH21 ARG 530 -9.021 -15.059 0.858 455 HH22 ARG 530 HH22 ARG 530 -9.353 -15.273 -0.834 456 H ASP 531 HN ASP 531 -8.868 -8.540 3.136 457 HA ASP 531 HA ASP 531 -6.399 -9.724 4.087 458 HB2 ASP 531 HB2 ASP 531 -6.972 -7.577 2.057 459 HB3 ASP 531 HB1 ASP 531 -5.337 -7.969 2.576 460 H VAL 532 HN VAL 532 -4.734 -8.610 5.085 461 HA VAL 532 HA VAL 532 -5.483 -6.141 6.520 462 HB VAL 532 HB VAL 532 -3.937 -8.522 7.570 463 HG11 VAL 532 HG11 VAL 532 -3.656 -7.279 9.646 464 HG12 VAL 532 HG12 VAL 532 -4.428 -5.871 8.920 465 HG13 VAL 532 HG13 VAL 532 -2.876 -6.443 8.303 466 HG21 VAL 532 HG21 VAL 532 -6.321 -8.839 7.652 467 HG22 VAL 532 HG22 VAL 532 -6.537 -7.268 8.425 468 HG23 VAL 532 HG23 VAL 532 -5.707 -8.568 9.284 469 HA PRO 533 HA PRO 533 -2.187 -4.339 4.294 470 HB2 PRO 533 HB2 PRO 533 -1.697 -2.867 6.848 471 HB3 PRO 533 HB1 PRO 533 -1.850 -2.250 5.201 472 HG2 PRO 533 HG2 PRO 533 -3.887 -2.015 6.874 473 HG3 PRO 533 HG1 PRO 533 -4.175 -2.487 5.191 474 HD2 PRO 533 HD2 PRO 533 -4.165 -4.163 7.664 475 HD3 PRO 533 HD1 PRO 533 -5.229 -4.253 6.247 476 H GLU 534 HN GLU 534 -1.263 -4.956 7.711 477 HA GLU 534 HA GLU 534 1.468 -5.345 7.130 478 HB2 GLU 534 HB2 GLU 534 -0.272 -6.019 9.463 479 HB3 GLU 534 HB1 GLU 534 1.380 -6.607 9.396 480 HG2 GLU 534 HG2 GLU 534 2.214 -4.344 9.242 481 HG3 GLU 534 HG1 GLU 534 0.567 -3.723 9.218 482 H ASP 535 HN ASP 535 -1.252 -7.541 7.296 483 HA ASP 535 HA ASP 535 0.177 -9.967 7.208 484 HB2 ASP 535 HB2 ASP 535 -2.276 -9.657 7.744 485 HB3 ASP 535 HB1 ASP 535 -2.561 -9.444 6.028 486 H VAL 536 HN VAL 536 -1.051 -7.803 4.748 487 HA VAL 536 HA VAL 536 -0.411 -9.440 2.518 488 HB VAL 536 HB VAL 536 -0.938 -6.476 2.675 489 HG11 VAL 536 HG11 VAL 536 -0.973 -8.312 0.281 490 HG12 VAL 536 HG12 VAL 536 0.251 -7.087 0.617 491 HG13 VAL 536 HG13 VAL 536 -1.414 -6.602 0.289 492 HG21 VAL 536 HG21 VAL 536 -2.738 -8.804 2.033 493 HG22 VAL 536 HG22 VAL 536 -3.199 -7.097 1.987 494 HG23 VAL 536 HG23 VAL 536 -2.756 -7.855 3.523 495 H ALA 537 HN ALA 537 1.255 -6.795 4.185 496 HA ALA 537 HA ALA 537 3.412 -6.632 2.370 497 HB1 ALA 537 HB1 ALA 537 3.505 -5.995 5.314 498 HB2 ALA 537 HB2 ALA 537 2.888 -4.904 4.072 499 HB3 ALA 537 HB3 ALA 537 4.584 -5.391 4.051 500 H GLN 538 HN GLN 538 2.624 -8.878 4.897 501 HA GLN 538 HA GLN 538 5.192 -10.114 5.047 502 HB2 GLN 538 HB2 GLN 538 2.418 -11.016 5.777 503 HB3 GLN 538 HB1 GLN 538 3.777 -12.129 5.842 504 HG2 GLN 538 HG2 GLN 538 3.566 -9.533 7.341 505 HG3 GLN 538 HG1 GLN 538 3.294 -11.136 8.018 506 HE21 GLN 538 HE21 GLN 538 5.478 -12.321 6.459 507 HE22 GLN 538 HE22 GLN 538 6.938 -11.797 7.224 508 H GLU 539 HN GLU 539 2.235 -10.753 3.194 509 HA GLU 539 HA GLU 539 3.149 -12.920 1.686 510 HB2 GLU 539 HB2 GLU 539 1.440 -10.723 0.525 511 HB3 GLU 539 HB1 GLU 539 1.443 -12.426 0.102 512 HG2 GLU 539 HG2 GLU 539 0.544 -12.884 2.402 513 HG3 GLU 539 HG1 GLU 539 0.350 -11.147 2.585 514 H MET 540 HN MET 540 3.462 -9.454 1.221 515 HA MET 540 HA MET 540 4.747 -9.375 -1.223 516 HB2 MET 540 HB2 MET 540 5.014 -7.595 1.185 517 HB3 MET 540 HB1 MET 540 5.765 -7.238 -0.366 518 HG2 MET 540 HG2 MET 540 3.533 -7.339 -1.417 519 HG3 MET 540 HG1 MET 540 2.832 -7.554 0.184 520 HE1 MET 540 HE1 MET 540 2.020 -3.909 -1.200 521 HE2 MET 540 HE2 MET 540 1.293 -5.425 -0.669 522 HE3 MET 540 HE3 MET 540 2.290 -5.390 -2.123 523 H VAL 541 HN VAL 541 6.153 -9.748 2.010 524 HA VAL 541 HA VAL 541 8.849 -9.867 1.150 525 HB VAL 541 HB VAL 541 7.633 -11.076 3.645 526 HG11 VAL 541 HG11 VAL 541 9.857 -11.950 3.173 527 HG12 VAL 541 HG12 VAL 541 9.892 -10.886 4.578 528 HG13 VAL 541 HG13 VAL 541 10.485 -10.309 3.021 529 HG21 VAL 541 HG21 VAL 541 8.282 -9.006 4.757 530 HG22 VAL 541 HG22 VAL 541 7.150 -8.684 3.441 531 HG23 VAL 541 HG23 VAL 541 8.869 -8.356 3.225 532 H GLU 542 HN GLU 542 6.432 -12.364 1.852 533 HA GLU 542 HA GLU 542 8.131 -14.577 1.448 534 HB2 GLU 542 HB2 GLU 542 5.132 -14.388 1.187 535 HB3 GLU 542 HB1 GLU 542 6.049 -15.883 1.287 536 HG2 GLU 542 HG2 GLU 542 6.871 -15.165 3.520 537 HG3 GLU 542 HG1 GLU 542 5.808 -13.767 3.416 538 H SER 543 HN SER 543 6.096 -12.733 -0.768 539 HA SER 543 HA SER 543 6.405 -14.583 -2.920 540 HB2 SER 543 HB2 SER 543 5.544 -11.681 -2.986 541 HB3 SER 543 HB1 SER 543 5.359 -12.837 -4.304 542 HG SER 543 HG SER 543 4.316 -13.825 -2.021 543 H GLY 544 HN GLY 544 8.488 -12.310 -1.551 544 HA2 GLY 544 HA2 GLY 544 10.723 -11.995 -2.203 545 HA3 GLY 544 HA1 GLY 544 10.318 -12.591 -3.805 546 H TYR 545 HN TYR 545 8.314 -10.180 -2.361 547 HA TYR 545 HA TYR 545 9.179 -8.252 -4.376 548 HB2 TYR 545 HB2 TYR 545 6.827 -8.341 -2.489 549 HB3 TYR 545 HB1 TYR 545 7.200 -6.937 -3.472 550 HD1 TYR 545 HD2 TYR 545 7.711 -7.764 -6.084 551 HD2 TYR 545 HD1 TYR 545 5.082 -9.580 -3.276 552 HE1 TYR 545 HE2 TYR 545 6.395 -8.711 -7.934 553 HE2 TYR 545 HE1 TYR 545 3.758 -10.527 -5.116 554 HH TYR 545 HH TYR 545 3.310 -10.052 -7.486 555 H VAL 546 HN VAL 546 8.580 -8.369 -0.879 556 HA VAL 546 HA VAL 546 10.155 -5.898 -0.603 557 HB VAL 546 HB VAL 546 7.921 -6.925 1.160 558 HG11 VAL 546 HG11 VAL 546 8.122 -4.866 2.394 559 HG12 VAL 546 HG12 VAL 546 9.436 -4.328 1.347 560 HG13 VAL 546 HG13 VAL 546 9.667 -5.715 2.413 561 HG21 VAL 546 HG21 VAL 546 7.230 -6.026 -1.057 562 HG22 VAL 546 HG22 VAL 546 7.995 -4.495 -0.628 563 HG23 VAL 546 HG23 VAL 546 6.620 -5.090 0.307 564 H CYS 547 HN CYS 547 11.683 -5.741 0.988 565 HA CYS 547 HA CYS 547 12.739 -8.174 2.101 566 HB2 CYS 547 HB2 CYS 547 14.272 -6.421 1.386 567 HB3 CYS 547 HB1 CYS 547 13.508 -5.269 2.473 568 HG CYS 547 HG CYS 547 16.123 -6.214 3.312 569 H GLU 548 HN GLU 548 12.575 -8.864 4.177 570 HA GLU 548 HA GLU 548 10.260 -8.245 5.605 571 HB2 GLU 548 HB2 GLU 548 11.203 -9.651 7.396 572 HB3 GLU 548 HB1 GLU 548 11.355 -10.397 5.814 573 HG2 GLU 548 HG2 GLU 548 13.664 -9.895 5.696 574 HG3 GLU 548 HG1 GLU 548 13.578 -8.859 7.118 575 H GLY 549 HN GLY 549 13.361 -6.745 5.664 576 HA2 GLY 549 HA2 GLY 549 13.255 -5.634 8.275 577 HA3 GLY 549 HA1 GLY 549 14.262 -5.068 6.951 578 H ASP 550 HN ASP 550 11.801 -4.720 5.253 579 HA ASP 550 HA ASP 550 10.909 -2.202 6.488 580 HB2 ASP 550 HB2 ASP 550 11.553 -2.884 3.642 581 HB3 ASP 550 HB1 ASP 550 10.430 -1.578 4.008 582 H HIS 551 HN HIS 551 9.744 -4.850 6.778 583 HA HIS 551 HA HIS 551 7.380 -5.182 5.333 584 HB2 HIS 551 HB2 HIS 551 8.055 -6.939 6.792 585 HB3 HIS 551 HB1 HIS 551 8.147 -5.862 8.180 586 HD1 HIS 551 HD1 HIS 551 6.069 -5.590 9.580 587 HD2 HIS 551 HD2 HIS 551 5.370 -7.617 6.017 588 HE1 HIS 551 HE1 HIS 551 3.703 -6.421 9.729 589 HE2 HIS 551 HE2 HIS 551 3.323 -7.714 7.599 590 H LYS 552 HN LYS 552 8.024 -3.279 8.268 591 HA LYS 552 HA LYS 552 5.352 -2.445 8.655 592 HB2 LYS 552 HB2 LYS 552 6.261 -0.853 10.255 593 HB3 LYS 552 HB1 LYS 552 7.003 -2.432 10.449 594 HG2 LYS 552 HG2 LYS 552 8.932 -1.659 9.162 595 HG3 LYS 552 HG1 LYS 552 8.209 -0.057 9.073 596 HD2 LYS 552 HD2 LYS 552 8.893 -1.483 11.645 597 HD3 LYS 552 HD1 LYS 552 9.924 -0.283 10.865 598 HE2 LYS 552 HE2 LYS 552 7.112 0.196 11.849 599 HE3 LYS 552 HE1 LYS 552 8.584 0.681 12.685 600 HZ1 LYS 552 HZ1 LYS 552 7.620 2.515 11.444 601 HZ2 LYS 552 HZ2 LYS 552 7.735 1.640 10.006 602 HZ3 LYS 552 HZ3 LYS 552 9.138 2.112 10.818 603 H THR 553 HN THR 553 8.058 -1.122 6.913 604 HA THR 553 HA THR 553 7.096 1.437 6.357 605 HB THR 553 HB THR 553 8.747 -0.245 4.463 606 HG1 THR 553 HG1 THR 553 10.542 0.332 5.683 607 HG21 THR 553 HG21 THR 553 9.762 1.914 3.877 608 HG22 THR 553 HG22 THR 553 8.674 2.726 5.003 609 HG23 THR 553 HG23 THR 553 8.024 1.912 3.579 610 H MET 554 HN MET 554 6.786 -1.564 4.476 611 HA MET 554 HA MET 554 5.258 -0.395 2.390 612 HB2 MET 554 HB2 MET 554 5.417 -3.291 3.215 613 HB3 MET 554 HB1 MET 554 4.850 -2.682 1.668 614 HG2 MET 554 HG2 MET 554 7.632 -2.461 2.765 615 HG3 MET 554 HG1 MET 554 7.084 -3.524 1.472 616 HE1 MET 554 HE1 MET 554 9.555 -1.412 1.384 617 HE2 MET 554 HE2 MET 554 9.374 -0.835 -0.272 618 HE3 MET 554 HE3 MET 554 9.170 -2.548 0.091 619 H ALA 555 HN ALA 555 4.432 -2.303 5.237 620 HA ALA 555 HA ALA 555 1.678 -2.538 4.746 621 HB1 ALA 555 HB1 ALA 555 3.097 -2.448 7.410 622 HB2 ALA 555 HB2 ALA 555 2.911 -3.883 6.401 623 HB3 ALA 555 HB3 ALA 555 1.490 -3.109 7.102 624 H LYS 556 HN LYS 556 3.590 0.011 6.193 625 HA LYS 556 HA LYS 556 1.475 1.528 7.287 626 HB2 LYS 556 HB2 LYS 556 4.048 1.761 7.586 627 HB3 LYS 556 HB1 LYS 556 3.992 2.710 6.113 628 HG2 LYS 556 HG2 LYS 556 2.445 3.359 8.615 629 HG3 LYS 556 HG1 LYS 556 3.999 4.068 8.184 630 HD2 LYS 556 HD2 LYS 556 2.986 4.976 6.133 631 HD3 LYS 556 HD1 LYS 556 1.430 4.297 6.615 632 HE2 LYS 556 HE2 LYS 556 3.017 6.400 8.089 633 HE3 LYS 556 HE1 LYS 556 1.530 6.654 7.180 634 HZ1 LYS 556 HZ1 LYS 556 1.058 6.532 9.521 635 HZ2 LYS 556 HZ2 LYS 556 1.823 5.033 9.649 636 HZ3 LYS 556 HZ3 LYS 556 0.394 5.180 8.755 637 H ALA 557 HN ALA 557 3.101 1.571 4.146 638 HA ALA 557 HA ALA 557 1.628 3.652 2.980 639 HB1 ALA 557 HB1 ALA 557 3.724 2.638 2.053 640 HB2 ALA 557 HB2 ALA 557 2.433 2.830 0.868 641 HB3 ALA 557 HB3 ALA 557 2.766 1.240 1.560 642 H ILE 558 HN ILE 558 1.098 0.168 3.068 643 HA ILE 558 HA ILE 558 -1.235 0.111 1.493 644 HB ILE 558 HB ILE 558 -0.517 -1.753 3.766 645 HG12 ILE 558 HG12 ILE 558 0.204 -1.966 0.844 646 HG13 ILE 558 HG11 ILE 558 1.310 -1.483 2.112 647 HG21 ILE 558 HG21 ILE 558 -2.771 -2.111 3.084 648 HG22 ILE 558 HG22 ILE 558 -1.791 -3.400 2.375 649 HG23 ILE 558 HG23 ILE 558 -2.322 -2.047 1.378 650 HD11 ILE 558 HD11 ILE 558 -0.037 -4.153 1.846 651 HD12 ILE 558 HD12 ILE 558 1.027 -3.670 3.167 652 HD13 ILE 558 HD13 ILE 558 1.658 -3.785 1.525 653 H LYS 559 HN LYS 559 -0.739 0.279 4.993 654 HA LYS 559 HA LYS 559 -3.447 0.228 5.734 655 HB2 LYS 559 HB2 LYS 559 -1.219 -0.038 7.115 656 HB3 LYS 559 HB1 LYS 559 -1.382 1.694 7.349 657 HG2 LYS 559 HG2 LYS 559 -3.374 -0.418 8.159 658 HG3 LYS 559 HG1 LYS 559 -2.300 0.485 9.223 659 HD2 LYS 559 HD2 LYS 559 -3.440 2.551 8.660 660 HD3 LYS 559 HD1 LYS 559 -4.477 1.691 7.522 661 HE2 LYS 559 HE2 LYS 559 -5.687 2.063 9.569 662 HE3 LYS 559 HE1 LYS 559 -5.349 0.341 9.398 663 HZ1 LYS 559 HZ1 LYS 559 -4.959 1.181 11.656 664 HZ2 LYS 559 HZ2 LYS 559 -3.759 2.214 11.065 665 HZ3 LYS 559 HZ3 LYS 559 -3.556 0.539 10.964 666 H ASP 560 HN ASP 560 -1.197 2.945 5.232 667 HA ASP 560 HA ASP 560 -2.880 5.012 6.016 668 HB2 ASP 560 HB2 ASP 560 -0.531 5.396 5.600 669 HB3 ASP 560 HB1 ASP 560 -0.739 5.003 3.899 670 H ARG 561 HN ARG 561 -2.500 3.549 2.813 671 HA ARG 561 HA ARG 561 -4.417 5.231 1.570 672 HB2 ARG 561 HB2 ARG 561 -2.705 4.110 0.252 673 HB3 ARG 561 HB1 ARG 561 -3.334 2.540 0.726 674 HG2 ARG 561 HG2 ARG 561 -3.999 3.203 -1.551 675 HG3 ARG 561 HG1 ARG 561 -5.371 2.927 -0.478 676 HD2 ARG 561 HD2 ARG 561 -6.121 4.929 -1.112 677 HD3 ARG 561 HD1 ARG 561 -4.814 5.619 -0.165 678 HE ARG 561 HE ARG 561 -3.497 5.344 -2.365 679 HH11 ARG 561 HH11 ARG 561 -6.902 6.156 -2.122 680 HH12 ARG 561 HH12 ARG 561 -6.907 7.113 -3.566 681 HH21 ARG 561 HH21 ARG 561 -3.495 6.621 -4.253 682 HH22 ARG 561 HH22 ARG 561 -4.976 7.365 -4.789 683 H VAL 562 HN VAL 562 -4.576 1.947 2.923 684 HA VAL 562 HA VAL 562 -7.209 1.388 2.153 685 HB VAL 562 HB VAL 562 -5.621 0.359 4.512 686 HG11 VAL 562 HG11 VAL 562 -7.974 0.057 4.954 687 HG12 VAL 562 HG12 VAL 562 -7.244 -1.495 4.542 688 HG13 VAL 562 HG13 VAL 562 -8.217 -0.631 3.349 689 HG21 VAL 562 HG21 VAL 562 -4.721 -0.109 2.242 690 HG22 VAL 562 HG22 VAL 562 -6.233 -0.939 1.858 691 HG23 VAL 562 HG23 VAL 562 -5.183 -1.558 3.137 692 H SER 563 HN SER 563 -5.913 3.064 4.977 693 HA SER 563 HA SER 563 -8.280 3.281 6.458 694 HB2 SER 563 HB2 SER 563 -5.987 3.889 7.267 695 HB3 SER 563 HB1 SER 563 -6.068 5.342 6.275 696 HG SER 563 HG SER 563 -8.168 4.848 8.054 697 H LEU 564 HN LEU 564 -6.944 5.328 3.906 698 HA LEU 564 HA LEU 564 -8.996 7.283 3.901 699 HB2 LEU 564 HB2 LEU 564 -7.217 6.405 1.624 700 HB3 LEU 564 HB1 LEU 564 -8.105 7.912 1.712 701 HG LEU 564 HG LEU 564 -5.853 7.122 3.563 702 HD11 LEU 564 HD11 LEU 564 -4.551 8.807 2.364 703 HD12 LEU 564 HD12 LEU 564 -5.896 9.057 1.251 704 HD13 LEU 564 HD13 LEU 564 -5.060 7.503 1.290 705 HD21 LEU 564 HD21 LEU 564 -5.951 9.446 4.297 706 HD22 LEU 564 HD22 LEU 564 -7.476 8.617 4.606 707 HD23 LEU 564 HD23 LEU 564 -7.336 9.727 3.242 708 H ILE 565 HN ILE 565 -8.440 4.360 2.035 709 HA ILE 565 HA ILE 565 -10.641 4.459 0.323 710 HB ILE 565 HB ILE 565 -9.045 2.176 1.440 711 HG12 ILE 565 HG12 ILE 565 -9.115 3.425 -1.303 712 HG13 ILE 565 HG11 ILE 565 -7.956 3.837 -0.049 713 HG21 ILE 565 HG21 ILE 565 -10.013 0.755 -0.294 714 HG22 ILE 565 HG22 ILE 565 -11.124 2.053 -0.733 715 HG23 ILE 565 HG23 ILE 565 -11.232 1.299 0.859 716 HD11 ILE 565 HD11 ILE 565 -7.025 2.298 -1.676 717 HD12 ILE 565 HD12 ILE 565 -8.294 1.136 -1.295 718 HD13 ILE 565 HD13 ILE 565 -7.106 1.575 -0.071 719 H LYS 566 HN LYS 566 -10.278 2.839 3.459 720 HA LYS 566 HA LYS 566 -12.932 1.855 3.569 721 HB2 LYS 566 HB2 LYS 566 -10.836 2.287 5.680 722 HB3 LYS 566 HB1 LYS 566 -12.434 1.671 6.070 723 HG2 LYS 566 HG2 LYS 566 -12.046 -0.183 4.466 724 HG3 LYS 566 HG1 LYS 566 -10.396 0.405 4.264 725 HD2 LYS 566 HD2 LYS 566 -9.943 0.051 6.616 726 HD3 LYS 566 HD1 LYS 566 -11.621 -0.421 6.894 727 HE2 LYS 566 HE2 LYS 566 -11.295 -2.323 5.347 728 HE3 LYS 566 HE1 LYS 566 -9.598 -1.874 5.195 729 HZ1 LYS 566 HZ1 LYS 566 -9.969 -3.657 6.808 730 HZ2 LYS 566 HZ2 LYS 566 -10.931 -2.622 7.738 731 HZ3 LYS 566 HZ3 LYS 566 -9.286 -2.285 7.529 732 H ARG 567 HN ARG 567 -11.501 4.906 4.482 733 HA ARG 567 HA ARG 567 -13.408 5.848 6.275 734 HB2 ARG 567 HB2 ARG 567 -11.266 6.956 5.895 735 HB3 ARG 567 HB1 ARG 567 -11.743 7.366 4.253 736 HG2 ARG 567 HG2 ARG 567 -11.951 9.296 5.650 737 HG3 ARG 567 HG1 ARG 567 -13.558 8.753 5.166 738 HD2 ARG 567 HD2 ARG 567 -13.768 7.584 7.330 739 HD3 ARG 567 HD1 ARG 567 -12.209 8.251 7.809 740 HE ARG 567 HE ARG 567 -13.524 10.480 7.259 741 HH11 ARG 567 HH11 ARG 567 -14.608 7.616 8.952 742 HH12 ARG 567 HH12 ARG 567 -15.665 8.492 10.018 743 HH21 ARG 567 HH21 ARG 567 -14.913 11.644 8.662 744 HH22 ARG 567 HH22 ARG 567 -15.837 10.786 9.855 745 H LYS 568 HN LYS 568 -13.332 5.993 2.740 746 HA LYS 568 HA LYS 568 -15.665 7.568 2.434 747 HB2 LYS 568 HB2 LYS 568 -14.443 5.572 0.514 748 HB3 LYS 568 HB1 LYS 568 -15.616 6.813 0.095 749 HG2 LYS 568 HG2 LYS 568 -14.017 8.545 0.692 750 HG3 LYS 568 HG1 LYS 568 -12.841 7.312 1.148 751 HD2 LYS 568 HD2 LYS 568 -12.850 6.479 -1.164 752 HD3 LYS 568 HD1 LYS 568 -13.996 7.746 -1.605 753 HE2 LYS 568 HE2 LYS 568 -11.758 8.420 -2.228 754 HE3 LYS 568 HE1 LYS 568 -12.346 9.442 -0.919 755 HZ1 LYS 568 HZ1 LYS 568 -10.079 8.796 -0.511 756 HZ2 LYS 568 HZ2 LYS 568 -10.469 7.158 -0.653 757 HZ3 LYS 568 HZ3 LYS 568 -11.077 8.062 0.640 758 H ARG 569 HN ARG 569 -15.093 4.214 2.990 759 HA ARG 569 HA ARG 569 -17.738 3.360 2.230 760 HB2 ARG 569 HB2 ARG 569 -15.366 1.970 3.386 761 HB3 ARG 569 HB1 ARG 569 -16.924 1.170 3.188 762 HG2 ARG 569 HG2 ARG 569 -16.887 1.667 0.806 763 HG3 ARG 569 HG1 ARG 569 -15.332 2.478 0.999 764 HD2 ARG 569 HD2 ARG 569 -14.358 0.397 1.804 765 HD3 ARG 569 HD1 ARG 569 -15.921 -0.386 1.605 766 HE ARG 569 HE ARG 569 -15.297 -0.774 -0.542 767 HH11 ARG 569 HH11 ARG 569 -13.830 2.297 0.387 768 HH12 ARG 569 HH12 ARG 569 -13.017 2.486 -1.138 769 HH21 ARG 569 HH21 ARG 569 -14.178 -0.491 -2.506 770 HH22 ARG 569 HH22 ARG 569 -13.209 0.942 -2.748 771 H GLU 570 HN GLU 570 -16.237 4.600 5.042 772 HA GLU 570 HA GLU 570 -18.032 3.444 6.951 773 HB2 GLU 570 HB2 GLU 570 -16.492 6.033 7.232 774 HB3 GLU 570 HB1 GLU 570 -17.142 5.040 8.528 775 HG2 GLU 570 HG2 GLU 570 -15.582 3.231 7.802 776 HG3 GLU 570 HG1 GLU 570 -14.855 4.389 6.695 777 H GLN 571 HN GLN 571 -18.203 5.882 4.621 778 HA GLN 571 HA GLN 571 -19.833 7.269 3.908 779 HB2 GLN 571 HB2 GLN 571 -21.574 5.747 5.858 780 HB3 GLN 571 HB1 GLN 571 -22.152 6.805 4.578 781 HG2 GLN 571 HG2 GLN 571 -21.148 5.322 2.906 782 HG3 GLN 571 HG1 GLN 571 -20.594 4.257 4.195 783 HE21 GLN 571 HE21 GLN 571 -22.385 3.736 1.951 784 HE22 GLN 571 HE22 GLN 571 -23.856 3.152 2.649 785 H ARG 572 HN ARG 572 -21.919 8.562 5.204 786 HA ARG 572 HA ARG 572 -20.430 10.290 7.011 787 HB2 ARG 572 HB2 ARG 572 -21.715 11.322 5.190 788 HB3 ARG 572 HB1 ARG 572 -23.190 10.595 5.809 789 HG2 ARG 572 HG2 ARG 572 -22.963 11.905 7.866 790 HG3 ARG 572 HG1 ARG 572 -21.500 12.650 7.219 791 HD2 ARG 572 HD2 ARG 572 -22.715 13.704 5.470 792 HD3 ARG 572 HD1 ARG 572 -24.170 12.779 5.838 793 HE ARG 572 HE ARG 572 -23.404 14.272 8.101 794 HH11 ARG 572 HH11 ARG 572 -24.707 14.744 4.887 795 HH12 ARG 572 HH12 ARG 572 -25.642 16.135 5.335 796 HH21 ARG 572 HH21 ARG 572 -24.620 16.101 8.694 797 HH22 ARG 572 HH22 ARG 572 -25.606 16.900 7.507 Start of MODEL 18 1 H1 GLY 475 HT1 GLY 475 10.934 5.315 11.217 2 H2 GLY 475 HT2 GLY 475 10.505 4.564 9.769 3 H3 GLY 475 HT3 GLY 475 9.562 4.330 11.150 4 HA2 GLY 475 HA1 GLY 475 8.468 5.869 9.671 5 HA3 GLY 475 HA2 GLY 475 8.953 6.669 11.160 6 H ALA 476 HN ALA 476 8.767 8.635 9.842 7 HA ALA 476 HA ALA 476 11.086 9.032 8.074 8 HB1 ALA 476 HB1 ALA 476 8.923 9.419 7.002 9 HB2 ALA 476 HB2 ALA 476 9.855 10.913 7.115 10 HB3 ALA 476 HB3 ALA 476 8.523 10.618 8.232 11 H MET 477 HN MET 477 12.702 10.234 8.814 12 HA MET 477 HA MET 477 12.424 11.665 11.311 13 HB2 MET 477 HB2 MET 477 14.801 11.360 9.459 14 HB3 MET 477 HB1 MET 477 14.848 12.153 11.026 15 HG2 MET 477 HG2 MET 477 15.723 9.994 11.342 16 HG3 MET 477 HG1 MET 477 14.104 9.977 12.035 17 HE1 MET 477 HE1 MET 477 15.819 7.341 11.324 18 HE2 MET 477 HE2 MET 477 14.538 6.332 10.654 19 HE3 MET 477 HE3 MET 477 14.222 7.325 12.076 20 H ASP 478 HN ASP 478 11.796 12.333 8.164 21 HA ASP 478 HA ASP 478 12.499 15.164 8.324 22 HB2 ASP 478 HB2 ASP 478 11.839 15.228 5.933 23 HB3 ASP 478 HB1 ASP 478 13.106 14.048 6.246 24 HA PRO 479 HA PRO 479 8.290 16.196 9.287 25 HB2 PRO 479 HB2 PRO 479 8.382 18.835 8.869 26 HB3 PRO 479 HB1 PRO 479 9.300 18.086 10.186 27 HG2 PRO 479 HG2 PRO 479 10.250 18.897 7.457 28 HG3 PRO 479 HG1 PRO 479 10.986 19.233 9.038 29 HD2 PRO 479 HD2 PRO 479 11.818 17.197 7.451 30 HD3 PRO 479 HD1 PRO 479 11.864 17.114 9.225 31 H GLN 480 HN GLN 480 9.480 15.935 6.239 32 HA GLN 480 HA GLN 480 7.332 17.302 4.849 33 HB2 GLN 480 HB2 GLN 480 9.585 17.294 3.880 34 HB3 GLN 480 HB1 GLN 480 9.555 15.540 3.804 35 HG2 GLN 480 HG2 GLN 480 7.780 15.598 2.181 36 HG3 GLN 480 HG1 GLN 480 7.664 17.351 2.323 37 HE21 GLN 480 HE21 GLN 480 9.251 18.635 1.414 38 HE22 GLN 480 HE22 GLN 480 10.358 18.029 0.230 39 H GLU 481 HN GLU 481 7.861 14.341 6.308 40 HA GLU 481 HA GLU 481 6.562 12.508 6.593 41 HB2 GLU 481 HB2 GLU 481 4.646 14.136 6.365 42 HB3 GLU 481 HB1 GLU 481 4.589 13.737 4.657 43 HG2 GLU 481 HG2 GLU 481 4.090 11.412 5.216 44 HG3 GLU 481 HG1 GLU 481 4.149 11.813 6.932 45 H GLU 482 HN GLU 482 8.643 12.686 4.669 46 HA GLU 482 HA GLU 482 7.818 11.243 2.318 47 HB2 GLU 482 HB2 GLU 482 9.757 12.734 2.231 48 HB3 GLU 482 HB1 GLU 482 10.570 11.778 3.462 49 HG2 GLU 482 HG2 GLU 482 11.424 11.315 1.221 50 HG3 GLU 482 HG1 GLU 482 10.697 9.889 1.962 51 H THR 483 HN THR 483 6.844 9.366 2.934 52 HA THR 483 HA THR 483 8.034 7.616 4.885 53 HB THR 483 HB THR 483 5.797 6.836 3.036 54 HG1 THR 483 HG1 THR 483 5.867 8.919 4.846 55 HG21 THR 483 HG21 THR 483 5.004 5.639 5.017 56 HG22 THR 483 HG22 THR 483 6.351 6.283 5.955 57 HG23 THR 483 HG23 THR 483 6.657 5.166 4.625 58 H GLY 484 HN GLY 484 8.352 8.135 1.535 59 HA2 GLY 484 HA2 GLY 484 9.708 7.098 -0.006 60 HA3 GLY 484 HA1 GLY 484 10.221 5.976 1.249 61 H VAL 485 HN VAL 485 6.940 5.978 1.214 62 HA VAL 485 HA VAL 485 6.581 4.170 -1.030 63 HB VAL 485 HB VAL 485 5.211 2.680 0.568 64 HG11 VAL 485 HG11 VAL 485 7.097 1.236 0.991 65 HG12 VAL 485 HG12 VAL 485 8.215 2.574 0.708 66 HG13 VAL 485 HG13 VAL 485 7.230 1.952 -0.616 67 HG21 VAL 485 HG21 VAL 485 6.083 2.554 2.849 68 HG22 VAL 485 HG22 VAL 485 5.354 4.126 2.503 69 HG23 VAL 485 HG23 VAL 485 7.110 3.952 2.520 70 H ARG 486 HN ARG 486 4.368 3.801 -1.504 71 HA ARG 486 HA ARG 486 2.216 4.994 -0.125 72 HB2 ARG 486 HB2 ARG 486 3.132 7.090 -0.856 73 HB3 ARG 486 HB1 ARG 486 3.327 6.500 -2.498 74 HG2 ARG 486 HG2 ARG 486 1.466 7.950 -2.502 75 HG3 ARG 486 HG1 ARG 486 0.831 6.313 -2.629 76 HD2 ARG 486 HD2 ARG 486 0.104 6.315 -0.375 77 HD3 ARG 486 HD1 ARG 486 1.037 7.769 0.000 78 HE ARG 486 HE ARG 486 -0.889 8.223 -2.058 79 HH11 ARG 486 HH11 ARG 486 -0.601 7.904 1.431 80 HH12 ARG 486 HH12 ARG 486 -1.894 9.017 1.746 81 HH21 ARG 486 HH21 ARG 486 -2.603 9.660 -1.621 82 HH22 ARG 486 HH22 ARG 486 -3.029 10.008 0.022 83 H VAL 487 HN VAL 487 0.290 4.252 -0.967 84 HA VAL 487 HA VAL 487 0.597 2.470 -3.283 85 HB VAL 487 HB VAL 487 -1.386 2.291 -1.008 86 HG11 VAL 487 HG11 VAL 487 -2.312 1.458 -3.111 87 HG12 VAL 487 HG12 VAL 487 -2.016 0.144 -1.971 88 HG13 VAL 487 HG13 VAL 487 -0.907 0.414 -3.316 89 HG21 VAL 487 HG21 VAL 487 0.818 1.703 -0.270 90 HG22 VAL 487 HG22 VAL 487 1.064 0.685 -1.687 91 HG23 VAL 487 HG23 VAL 487 -0.121 0.223 -0.468 92 H GLU 488 HN GLU 488 -0.822 2.554 -4.954 93 HA GLU 488 HA GLU 488 -2.829 4.724 -4.897 94 HB2 GLU 488 HB2 GLU 488 -1.170 3.865 -7.274 95 HB3 GLU 488 HB1 GLU 488 -2.347 5.168 -7.242 96 HG2 GLU 488 HG2 GLU 488 -0.875 6.229 -5.458 97 HG3 GLU 488 HG1 GLU 488 0.347 5.052 -5.936 98 H LEU 489 HN LEU 489 -4.515 4.457 -6.579 99 HA LEU 489 HA LEU 489 -5.549 1.750 -6.442 100 HB2 LEU 489 HB2 LEU 489 -6.766 4.283 -7.531 101 HB3 LEU 489 HB1 LEU 489 -7.595 2.745 -7.402 102 HG LEU 489 HG LEU 489 -6.535 4.318 -5.053 103 HD11 LEU 489 HD11 LEU 489 -8.907 4.844 -4.647 104 HD12 LEU 489 HD12 LEU 489 -9.338 4.050 -6.161 105 HD13 LEU 489 HD13 LEU 489 -8.343 5.508 -6.180 106 HD21 LEU 489 HD21 LEU 489 -7.891 2.810 -3.717 107 HD22 LEU 489 HD22 LEU 489 -6.712 1.899 -4.660 108 HD23 LEU 489 HD23 LEU 489 -8.397 1.943 -5.170 109 H ALA 490 HN ALA 490 -5.802 0.396 -8.110 110 HA ALA 490 HA ALA 490 -4.668 1.101 -10.700 111 HB1 ALA 490 HB1 ALA 490 -5.829 -1.493 -9.690 112 HB2 ALA 490 HB2 ALA 490 -4.119 -1.072 -9.748 113 HB3 ALA 490 HB3 ALA 490 -5.030 -1.265 -11.243 114 H GLU 491 HN GLU 491 -7.603 1.099 -9.107 115 HA GLU 491 HA GLU 491 -9.061 1.487 -11.623 116 HB2 GLU 491 HB2 GLU 491 -11.075 0.597 -10.202 117 HB3 GLU 491 HB1 GLU 491 -9.992 -0.534 -10.991 118 HG2 GLU 491 HG2 GLU 491 -10.516 -1.270 -8.754 119 HG3 GLU 491 HG1 GLU 491 -8.805 -0.867 -8.884 120 H GLU 492 HN GLU 492 -11.431 2.399 -10.623 121 HA GLU 492 HA GLU 492 -10.571 4.783 -9.134 122 HB2 GLU 492 HB2 GLU 492 -12.904 4.487 -11.034 123 HB3 GLU 492 HB1 GLU 492 -12.468 5.957 -10.172 124 HG2 GLU 492 HG2 GLU 492 -10.263 5.893 -11.338 125 HG3 GLU 492 HG1 GLU 492 -10.880 4.554 -12.306 126 H ASP 493 HN ASP 493 -10.909 4.145 -7.069 127 HA ASP 493 HA ASP 493 -13.261 2.775 -6.234 128 HB2 ASP 493 HB2 ASP 493 -11.218 2.457 -4.979 129 HB3 ASP 493 HB1 ASP 493 -11.124 4.181 -4.627 130 H ASP 494 HN ASP 494 -14.984 4.040 -6.943 131 HA ASP 494 HA ASP 494 -15.432 6.478 -5.341 132 HB2 ASP 494 HB2 ASP 494 -15.112 7.053 -7.694 133 HB3 ASP 494 HB1 ASP 494 -16.360 5.906 -8.164 134 H GLY 495 HN GLY 495 -16.553 3.398 -6.274 135 HA2 GLY 495 HA2 GLY 495 -19.324 3.892 -5.574 136 HA3 GLY 495 HA1 GLY 495 -18.631 2.367 -6.115 137 H GLU 496 HN GLU 496 -18.498 0.841 -4.690 138 HA GLU 496 HA GLU 496 -17.948 1.391 -1.890 139 HB2 GLU 496 HB2 GLU 496 -20.478 0.096 -2.896 140 HB3 GLU 496 HB1 GLU 496 -19.891 -0.139 -1.257 141 HG2 GLU 496 HG2 GLU 496 -20.085 2.241 -0.832 142 HG3 GLU 496 HG1 GLU 496 -20.610 2.509 -2.492 143 H LYS 497 HN LYS 497 -16.135 0.270 -3.443 144 HA LYS 497 HA LYS 497 -16.409 -2.504 -3.894 145 HB2 LYS 497 HB2 LYS 497 -13.992 -0.719 -3.721 146 HB3 LYS 497 HB1 LYS 497 -13.923 -2.407 -4.157 147 HG2 LYS 497 HG2 LYS 497 -15.541 -1.830 -6.032 148 HG3 LYS 497 HG1 LYS 497 -15.140 -0.142 -5.685 149 HD2 LYS 497 HD2 LYS 497 -12.738 -0.714 -5.987 150 HD3 LYS 497 HD1 LYS 497 -13.216 -2.345 -6.455 151 HE2 LYS 497 HE2 LYS 497 -12.919 -1.277 -8.491 152 HE3 LYS 497 HE1 LYS 497 -14.661 -1.166 -8.235 153 HZ1 LYS 497 HZ1 LYS 497 -12.640 0.962 -7.775 154 HZ2 LYS 497 HZ2 LYS 497 -14.270 1.083 -7.319 155 HZ3 LYS 497 HZ3 LYS 497 -13.864 0.943 -8.953 156 H ILE 498 HN ILE 498 -16.017 -4.181 -2.633 157 HA ILE 498 HA ILE 498 -15.100 -3.781 0.091 158 HB ILE 498 HB ILE 498 -16.095 -6.219 -1.372 159 HG12 ILE 498 HG12 ILE 498 -17.712 -4.405 -0.748 160 HG13 ILE 498 HG11 ILE 498 -18.043 -5.970 -0.036 161 HG21 ILE 498 HG21 ILE 498 -14.427 -6.895 0.279 162 HG22 ILE 498 HG22 ILE 498 -16.048 -7.375 0.785 163 HG23 ILE 498 HG23 ILE 498 -15.273 -5.972 1.520 164 HD11 ILE 498 HD11 ILE 498 -18.393 -4.280 1.617 165 HD12 ILE 498 HD12 ILE 498 -16.790 -3.609 1.318 166 HD13 ILE 498 HD13 ILE 498 -16.952 -5.206 2.050 167 H ALA 499 HN ALA 499 -14.072 -4.962 -2.976 168 HA ALA 499 HA ALA 499 -11.396 -5.431 -1.877 169 HB1 ALA 499 HB1 ALA 499 -12.417 -7.578 -2.355 170 HB2 ALA 499 HB2 ALA 499 -11.096 -7.253 -3.481 171 HB3 ALA 499 HB3 ALA 499 -12.771 -7.055 -4.001 172 H ILE 500 HN ILE 500 -9.920 -4.205 -2.772 173 HA ILE 500 HA ILE 500 -10.588 -2.849 -5.295 174 HB ILE 500 HB ILE 500 -9.250 -0.985 -4.545 175 HG12 ILE 500 HG12 ILE 500 -8.697 -2.699 -2.116 176 HG13 ILE 500 HG11 ILE 500 -7.525 -2.106 -3.283 177 HG21 ILE 500 HG21 ILE 500 -10.610 -0.264 -2.644 178 HG22 ILE 500 HG22 ILE 500 -11.151 -1.927 -2.423 179 HG23 ILE 500 HG23 ILE 500 -11.583 -1.047 -3.889 180 HD11 ILE 500 HD11 ILE 500 -9.146 -0.369 -1.450 181 HD12 ILE 500 HD12 ILE 500 -7.863 0.150 -2.542 182 HD13 ILE 500 HD13 ILE 500 -7.485 -0.880 -1.160 183 H LYS 501 HN LYS 501 -8.438 -1.904 -6.249 184 HA LYS 501 HA LYS 501 -6.426 -4.053 -6.293 185 HB2 LYS 501 HB2 LYS 501 -8.047 -4.027 -8.266 186 HB3 LYS 501 HB1 LYS 501 -7.313 -2.500 -8.723 187 HG2 LYS 501 HG2 LYS 501 -5.146 -3.610 -8.948 188 HG3 LYS 501 HG1 LYS 501 -5.893 -5.145 -8.494 189 HD2 LYS 501 HD2 LYS 501 -7.422 -4.912 -10.437 190 HD3 LYS 501 HD1 LYS 501 -6.536 -3.464 -10.915 191 HE2 LYS 501 HE2 LYS 501 -5.726 -5.315 -12.203 192 HE3 LYS 501 HE1 LYS 501 -4.476 -4.836 -11.057 193 HZ1 LYS 501 HZ1 LYS 501 -5.072 -6.676 -9.646 194 HZ2 LYS 501 HZ2 LYS 501 -4.761 -7.252 -11.204 195 HZ3 LYS 501 HZ3 LYS 501 -6.355 -7.102 -10.662 196 H LEU 502 HN LEU 502 -4.575 -3.232 -5.582 197 HA LEU 502 HA LEU 502 -4.100 -0.343 -5.924 198 HB2 LEU 502 HB2 LEU 502 -3.234 -2.215 -3.724 199 HB3 LEU 502 HB1 LEU 502 -2.784 -0.526 -3.839 200 HG LEU 502 HG LEU 502 -5.654 -1.397 -3.638 201 HD11 LEU 502 HD11 LEU 502 -4.457 -2.285 -1.713 202 HD12 LEU 502 HD12 LEU 502 -5.496 -0.941 -1.240 203 HD13 LEU 502 HD13 LEU 502 -3.759 -0.697 -1.402 204 HD21 LEU 502 HD21 LEU 502 -5.096 0.908 -4.436 205 HD22 LEU 502 HD22 LEU 502 -4.320 1.197 -2.878 206 HD23 LEU 502 HD23 LEU 502 -6.047 0.856 -2.953 207 H TRP 503 HN TRP 503 -1.864 0.329 -6.101 208 HA TRP 503 HA TRP 503 0.051 -1.827 -6.688 209 HB2 TRP 503 HB2 TRP 503 -0.117 0.904 -7.961 210 HB3 TRP 503 HB1 TRP 503 1.282 -0.142 -8.086 211 HD1 TRP 503 HD1 TRP 503 -2.495 -0.465 -8.865 212 HE1 TRP 503 HE1 TRP 503 -2.751 -1.674 -11.122 213 HE3 TRP 503 HE3 TRP 503 2.416 -1.446 -9.814 214 HZ2 TRP 503 HZ2 TRP 503 -1.089 -2.892 -13.036 215 HZ3 TRP 503 HZ3 TRP 503 2.996 -2.658 -11.869 216 HH2 TRP 503 HH2 TRP 503 1.284 -3.367 -13.446 217 H LEU 504 HN LEU 504 1.580 -1.947 -5.181 218 HA LEU 504 HA LEU 504 2.035 0.139 -3.267 219 HB2 LEU 504 HB2 LEU 504 2.312 -2.222 -2.689 220 HB3 LEU 504 HB1 LEU 504 3.597 -2.371 -3.864 221 HG LEU 504 HG LEU 504 4.837 -0.602 -2.486 222 HD11 LEU 504 HD11 LEU 504 2.747 -1.435 -0.484 223 HD12 LEU 504 HD12 LEU 504 2.986 0.180 -1.152 224 HD13 LEU 504 HD13 LEU 504 4.216 -0.532 -0.109 225 HD21 LEU 504 HD21 LEU 504 5.711 -2.294 -0.965 226 HD22 LEU 504 HD22 LEU 504 5.459 -2.965 -2.578 227 HD23 LEU 504 HD23 LEU 504 4.310 -3.318 -1.287 228 H ARG 505 HN ARG 505 3.013 1.951 -3.863 229 HA ARG 505 HA ARG 505 5.036 1.860 -5.975 230 HB2 ARG 505 HB2 ARG 505 2.916 3.580 -5.464 231 HB3 ARG 505 HB1 ARG 505 4.350 4.499 -5.022 232 HG2 ARG 505 HG2 ARG 505 5.309 4.083 -7.214 233 HG3 ARG 505 HG1 ARG 505 3.891 3.124 -7.658 234 HD2 ARG 505 HD2 ARG 505 3.725 5.366 -8.553 235 HD3 ARG 505 HD1 ARG 505 2.477 5.076 -7.346 236 HE ARG 505 HE ARG 505 4.592 6.245 -5.997 237 HH11 ARG 505 HH11 ARG 505 2.343 7.093 -8.543 238 HH12 ARG 505 HH12 ARG 505 2.494 8.803 -8.279 239 HH21 ARG 505 HH21 ARG 505 4.767 8.492 -5.621 240 HH22 ARG 505 HH22 ARG 505 3.862 9.593 -6.619 241 H ILE 506 HN ILE 506 7.124 2.154 -5.555 242 HA ILE 506 HA ILE 506 7.932 2.852 -2.835 243 HB ILE 506 HB ILE 506 9.759 2.101 -5.118 244 HG12 ILE 506 HG12 ILE 506 8.127 0.283 -4.777 245 HG13 ILE 506 HG11 ILE 506 9.734 -0.198 -4.247 246 HG21 ILE 506 HG21 ILE 506 10.053 2.236 -2.137 247 HG22 ILE 506 HG22 ILE 506 10.956 3.124 -3.370 248 HG23 ILE 506 HG23 ILE 506 11.199 1.387 -3.174 249 HD11 ILE 506 HD11 ILE 506 9.081 0.247 -1.926 250 HD12 ILE 506 HD12 ILE 506 8.066 -0.976 -2.691 251 HD13 ILE 506 HD13 ILE 506 7.459 0.667 -2.479 252 H GLU 507 HN GLU 507 8.184 4.928 -2.400 253 HA GLU 507 HA GLU 507 8.552 6.875 -4.483 254 HB2 GLU 507 HB2 GLU 507 8.428 7.211 -1.482 255 HB3 GLU 507 HB1 GLU 507 8.293 8.490 -2.675 256 HG2 GLU 507 HG2 GLU 507 6.375 6.236 -2.218 257 HG3 GLU 507 HG1 GLU 507 6.122 7.933 -1.820 258 H ASP 508 HN ASP 508 10.320 5.909 -1.557 259 HA ASP 508 HA ASP 508 12.773 6.948 -2.799 260 HB2 ASP 508 HB2 ASP 508 11.931 8.504 -1.019 261 HB3 ASP 508 HB1 ASP 508 12.104 7.192 0.143 262 H ILE 509 HN ILE 509 13.846 5.146 -3.267 263 HA ILE 509 HA ILE 509 13.450 2.741 -1.795 264 HB ILE 509 HB ILE 509 14.930 1.701 -3.383 265 HG12 ILE 509 HG12 ILE 509 15.699 3.483 -5.264 266 HG13 ILE 509 HG11 ILE 509 15.855 4.468 -3.815 267 HG21 ILE 509 HG21 ILE 509 13.804 2.319 -5.483 268 HG22 ILE 509 HG22 ILE 509 13.136 3.736 -4.673 269 HG23 ILE 509 HG23 ILE 509 12.688 2.119 -4.135 270 HD11 ILE 509 HD11 ILE 509 17.326 2.784 -2.834 271 HD12 ILE 509 HD12 ILE 509 17.956 3.392 -4.367 272 HD13 ILE 509 HD13 ILE 509 17.179 1.808 -4.297 273 H LYS 510 HN LYS 510 15.625 5.357 -1.539 274 HA LYS 510 HA LYS 510 17.785 3.940 -0.326 275 HB2 LYS 510 HB2 LYS 510 17.041 6.856 -0.438 276 HB3 LYS 510 HB1 LYS 510 18.482 6.271 0.376 277 HG2 LYS 510 HG2 LYS 510 17.860 5.866 -2.540 278 HG3 LYS 510 HG1 LYS 510 18.935 7.105 -1.889 279 HD2 LYS 510 HD2 LYS 510 20.363 5.349 -0.939 280 HD3 LYS 510 HD1 LYS 510 19.296 4.120 -1.622 281 HE2 LYS 510 HE2 LYS 510 19.795 4.917 -3.866 282 HE3 LYS 510 HE1 LYS 510 20.827 6.183 -3.204 283 HZ1 LYS 510 HZ1 LYS 510 22.140 4.323 -3.957 284 HZ2 LYS 510 HZ2 LYS 510 21.276 3.258 -2.969 285 HZ3 LYS 510 HZ3 LYS 510 22.253 4.450 -2.274 286 H LYS 511 HN LYS 511 14.803 5.325 0.776 287 HA LYS 511 HA LYS 511 15.443 5.362 3.543 288 HB2 LYS 511 HB2 LYS 511 13.158 5.914 1.860 289 HB3 LYS 511 HB1 LYS 511 12.687 5.041 3.310 290 HG2 LYS 511 HG2 LYS 511 12.932 6.851 4.579 291 HG3 LYS 511 HG1 LYS 511 14.548 7.153 3.940 292 HD2 LYS 511 HD2 LYS 511 13.545 8.209 1.970 293 HD3 LYS 511 HD1 LYS 511 11.941 7.966 2.663 294 HE2 LYS 511 HE2 LYS 511 14.150 9.582 3.937 295 HE3 LYS 511 HE1 LYS 511 12.827 10.262 2.993 296 HZ1 LYS 511 HZ1 LYS 511 11.286 9.230 4.635 297 HZ2 LYS 511 HZ2 LYS 511 12.262 10.458 5.272 298 HZ3 LYS 511 HZ3 LYS 511 12.632 8.833 5.585 299 H LEU 512 HN LEU 512 14.707 2.899 1.324 300 HA LEU 512 HA LEU 512 13.745 1.061 3.397 301 HB2 LEU 512 HB2 LEU 512 13.945 0.590 0.428 302 HB3 LEU 512 HB1 LEU 512 13.020 -0.332 1.597 303 HG LEU 512 HG LEU 512 12.450 2.533 0.842 304 HD11 LEU 512 HD11 LEU 512 10.471 1.529 -0.289 305 HD12 LEU 512 HD12 LEU 512 11.219 -0.053 -0.062 306 HD13 LEU 512 HD13 LEU 512 12.018 1.169 -1.050 307 HD21 LEU 512 HD21 LEU 512 10.859 0.550 2.464 308 HD22 LEU 512 HD22 LEU 512 10.349 2.180 2.023 309 HD23 LEU 512 HD23 LEU 512 11.727 1.948 3.099 310 H LYS 513 HN LYS 513 14.758 -0.912 3.783 311 HA LYS 513 HA LYS 513 17.564 -1.051 2.946 312 HB2 LYS 513 HB2 LYS 513 17.099 -1.210 5.357 313 HB3 LYS 513 HB1 LYS 513 16.061 -2.598 5.071 314 HG2 LYS 513 HG2 LYS 513 18.262 -3.238 5.927 315 HG3 LYS 513 HG1 LYS 513 17.949 -3.904 4.323 316 HD2 LYS 513 HD2 LYS 513 19.310 -2.173 3.309 317 HD3 LYS 513 HD1 LYS 513 19.564 -1.418 4.883 318 HE2 LYS 513 HE2 LYS 513 20.455 -4.190 4.096 319 HE3 LYS 513 HE1 LYS 513 21.492 -2.767 4.186 320 HZ1 LYS 513 HZ1 LYS 513 20.962 -2.607 6.554 321 HZ2 LYS 513 HZ2 LYS 513 21.703 -4.079 6.176 322 HZ3 LYS 513 HZ3 LYS 513 20.036 -4.020 6.450 323 H GLY 514 HN GLY 514 16.870 -1.635 0.778 324 HA2 GLY 514 HA2 GLY 514 16.909 -4.462 0.385 325 HA3 GLY 514 HA1 GLY 514 15.321 -3.790 0.048 326 H LYS 515 HN LYS 515 15.466 -4.320 -2.135 327 HA LYS 515 HA LYS 515 17.203 -2.526 -3.690 328 HB2 LYS 515 HB2 LYS 515 18.209 -4.730 -3.760 329 HB3 LYS 515 HB1 LYS 515 16.676 -5.461 -4.200 330 HG2 LYS 515 HG2 LYS 515 16.737 -4.224 -6.332 331 HG3 LYS 515 HG1 LYS 515 18.322 -3.588 -5.884 332 HD2 LYS 515 HD2 LYS 515 19.225 -5.841 -5.783 333 HD3 LYS 515 HD1 LYS 515 17.637 -6.513 -6.153 334 HE2 LYS 515 HE2 LYS 515 19.284 -4.744 -7.953 335 HE3 LYS 515 HE1 LYS 515 19.067 -6.483 -8.127 336 HZ1 LYS 515 HZ1 LYS 515 16.945 -4.421 -8.349 337 HZ2 LYS 515 HZ2 LYS 515 16.684 -6.088 -8.434 338 HZ3 LYS 515 HZ3 LYS 515 17.611 -5.317 -9.617 339 H TYR 516 HN TYR 516 15.780 -1.131 -4.510 340 HA TYR 516 HA TYR 516 13.370 -2.152 -5.836 341 HB2 TYR 516 HB2 TYR 516 13.310 0.199 -3.933 342 HB3 TYR 516 HB1 TYR 516 11.938 -0.548 -4.741 343 HD1 TYR 516 HD1 TYR 516 11.252 -2.857 -4.069 344 HD2 TYR 516 HD2 TYR 516 14.104 -0.606 -1.865 345 HE1 TYR 516 HE1 TYR 516 10.872 -4.297 -2.119 346 HE2 TYR 516 HE2 TYR 516 13.735 -2.043 0.091 347 HH TYR 516 HH TYR 516 11.732 -3.485 0.925 348 H LYS 517 HN LYS 517 12.493 -0.737 -7.398 349 HA LYS 517 HA LYS 517 14.384 1.193 -8.498 350 HB2 LYS 517 HB2 LYS 517 11.656 0.394 -9.534 351 HB3 LYS 517 HB1 LYS 517 12.904 1.253 -10.417 352 HG2 LYS 517 HG2 LYS 517 14.298 -0.681 -10.472 353 HG3 LYS 517 HG1 LYS 517 13.213 -1.551 -9.383 354 HD2 LYS 517 HD2 LYS 517 11.432 -1.379 -11.093 355 HD3 LYS 517 HD1 LYS 517 12.593 -0.617 -12.181 356 HE2 LYS 517 HE2 LYS 517 13.973 -2.608 -12.147 357 HE3 LYS 517 HE1 LYS 517 12.889 -3.365 -10.980 358 HZ1 LYS 517 HZ1 LYS 517 12.124 -2.551 -13.730 359 HZ2 LYS 517 HZ2 LYS 517 11.139 -3.356 -12.615 360 HZ3 LYS 517 HZ3 LYS 517 12.499 -4.128 -13.254 361 H ASP 518 HN ASP 518 13.850 3.426 -8.827 362 HA ASP 518 HA ASP 518 12.274 4.465 -6.646 363 HB2 ASP 518 HB2 ASP 518 13.162 6.636 -7.221 364 HB3 ASP 518 HB1 ASP 518 14.472 5.464 -7.286 365 H ASN 519 HN ASN 519 10.993 3.109 -8.823 366 HA ASN 519 HA ASN 519 8.742 4.824 -9.135 367 HB2 ASN 519 HB2 ASN 519 8.645 4.796 -11.577 368 HB3 ASN 519 HB1 ASN 519 10.130 5.577 -11.052 369 HD21 ASN 519 HD21 ASN 519 9.437 4.268 -13.582 370 HD22 ASN 519 HD22 ASN 519 10.644 3.056 -13.828 371 H GLU 520 HN GLU 520 9.586 2.263 -8.003 372 HA GLU 520 HA GLU 520 8.506 0.199 -9.691 373 HB2 GLU 520 HB2 GLU 520 10.490 -0.048 -8.105 374 HB3 GLU 520 HB1 GLU 520 9.316 -0.052 -6.799 375 HG2 GLU 520 HG2 GLU 520 8.293 -2.043 -7.643 376 HG3 GLU 520 HG1 GLU 520 9.303 -2.000 -9.088 377 H ALA 521 HN ALA 521 6.545 -0.657 -9.577 378 HA ALA 521 HA ALA 521 4.836 -0.007 -7.281 379 HB1 ALA 521 HB1 ALA 521 4.290 1.540 -9.122 380 HB2 ALA 521 HB2 ALA 521 2.955 0.456 -8.738 381 HB3 ALA 521 HB3 ALA 521 3.950 0.158 -10.163 382 H ILE 522 HN ILE 522 4.158 -1.744 -6.390 383 HA ILE 522 HA ILE 522 4.064 -4.239 -7.926 384 HB ILE 522 HB ILE 522 4.201 -3.712 -4.959 385 HG12 ILE 522 HG12 ILE 522 6.197 -5.083 -6.760 386 HG13 ILE 522 HG11 ILE 522 6.261 -3.374 -6.364 387 HG21 ILE 522 HG21 ILE 522 2.862 -5.706 -5.382 388 HG22 ILE 522 HG22 ILE 522 4.428 -6.141 -4.697 389 HG23 ILE 522 HG23 ILE 522 4.133 -6.346 -6.422 390 HD11 ILE 522 HD11 ILE 522 7.757 -4.848 -5.011 391 HD12 ILE 522 HD12 ILE 522 6.300 -5.537 -4.294 392 HD13 ILE 522 HD13 ILE 522 6.663 -3.828 -4.079 393 H GLU 523 HN GLU 523 2.116 -4.520 -8.771 394 HA GLU 523 HA GLU 523 -0.304 -3.459 -7.722 395 HB2 GLU 523 HB2 GLU 523 -0.073 -3.789 -10.069 396 HB3 GLU 523 HB1 GLU 523 0.313 -5.485 -9.870 397 HG2 GLU 523 HG2 GLU 523 -2.039 -5.701 -8.870 398 HG3 GLU 523 HG1 GLU 523 -2.325 -4.095 -9.550 399 H PHE 524 HN PHE 524 -1.681 -4.290 -6.287 400 HA PHE 524 HA PHE 524 -1.947 -7.146 -5.898 401 HB2 PHE 524 HB2 PHE 524 -1.532 -7.132 -3.501 402 HB3 PHE 524 HB1 PHE 524 -0.103 -6.517 -4.326 403 HD1 PHE 524 HD2 PHE 524 0.289 -4.009 -4.350 404 HD2 PHE 524 HD1 PHE 524 -2.634 -5.877 -1.882 405 HE1 PHE 524 HE2 PHE 524 0.224 -2.011 -2.917 406 HE2 PHE 524 HE1 PHE 524 -2.696 -3.886 -0.443 407 HZ PHE 524 HZ PHE 524 -1.266 -1.949 -0.959 408 H SER 525 HN SER 525 -4.006 -7.677 -5.195 409 HA SER 525 HA SER 525 -5.894 -5.473 -5.045 410 HB2 SER 525 HB2 SER 525 -6.421 -8.454 -4.967 411 HB3 SER 525 HB1 SER 525 -7.619 -7.182 -5.211 412 HG SER 525 HG SER 525 -5.460 -7.858 -6.926 413 H PHE 526 HN PHE 526 -7.285 -5.084 -3.258 414 HA PHE 526 HA PHE 526 -6.403 -6.373 -0.757 415 HB2 PHE 526 HB2 PHE 526 -5.299 -4.114 -1.135 416 HB3 PHE 526 HB1 PHE 526 -6.902 -3.405 -1.033 417 HD1 PHE 526 HD1 PHE 526 -8.112 -3.356 1.070 418 HD2 PHE 526 HD2 PHE 526 -4.169 -4.934 0.825 419 HE1 PHE 526 HE1 PHE 526 -7.922 -3.248 3.519 420 HE2 PHE 526 HE2 PHE 526 -3.973 -4.831 3.277 421 HZ PHE 526 HZ PHE 526 -5.795 -3.909 4.620 422 H ASP 527 HN ASP 527 -8.148 -7.360 0.020 423 HA ASP 527 HA ASP 527 -10.789 -6.252 -0.347 424 HB2 ASP 527 HB2 ASP 527 -10.198 -8.748 -0.172 425 HB3 ASP 527 HB1 ASP 527 -10.048 -8.463 1.558 426 H LEU 528 HN LEU 528 -11.511 -4.643 0.833 427 HA LEU 528 HA LEU 528 -9.992 -3.495 2.905 428 HB2 LEU 528 HB2 LEU 528 -12.850 -3.011 2.076 429 HB3 LEU 528 HB1 LEU 528 -11.917 -1.967 3.124 430 HG LEU 528 HG LEU 528 -11.227 -2.562 0.247 431 HD11 LEU 528 HD11 LEU 528 -13.284 -1.267 0.442 432 HD12 LEU 528 HD12 LEU 528 -11.962 -0.285 -0.194 433 HD13 LEU 528 HD13 LEU 528 -12.459 -0.111 1.490 434 HD21 LEU 528 HD21 LEU 528 -9.614 -0.770 0.485 435 HD22 LEU 528 HD22 LEU 528 -9.295 -2.029 1.676 436 HD23 LEU 528 HD23 LEU 528 -10.090 -0.534 2.165 437 H GLU 529 HN GLU 529 -12.316 -5.982 2.937 438 HA GLU 529 HA GLU 529 -12.872 -5.557 5.782 439 HB2 GLU 529 HB2 GLU 529 -14.288 -7.310 3.765 440 HB3 GLU 529 HB1 GLU 529 -14.763 -7.091 5.445 441 HG2 GLU 529 HG2 GLU 529 -14.597 -4.840 3.464 442 HG3 GLU 529 HG1 GLU 529 -16.059 -5.775 3.755 443 H ARG 530 HN ARG 530 -11.719 -8.001 3.468 444 HA ARG 530 HA ARG 530 -11.210 -9.862 5.644 445 HB2 ARG 530 HB2 ARG 530 -11.047 -10.089 2.653 446 HB3 ARG 530 HB1 ARG 530 -10.506 -11.359 3.727 447 HG2 ARG 530 HG2 ARG 530 -13.290 -10.241 3.766 448 HG3 ARG 530 HG1 ARG 530 -12.811 -11.635 2.798 449 HD2 ARG 530 HD2 ARG 530 -13.767 -12.462 4.818 450 HD3 ARG 530 HD1 ARG 530 -12.028 -12.721 4.907 451 HE ARG 530 HE ARG 530 -13.165 -10.338 6.178 452 HH11 ARG 530 HH11 ARG 530 -11.697 -13.506 6.512 453 HH12 ARG 530 HH12 ARG 530 -11.281 -13.272 8.178 454 HH21 ARG 530 HH21 ARG 530 -12.609 -10.036 8.365 455 HH22 ARG 530 HH22 ARG 530 -11.789 -11.298 9.228 456 H ASP 531 HN ASP 531 -9.340 -7.966 3.294 457 HA ASP 531 HA ASP 531 -6.895 -9.342 3.960 458 HB2 ASP 531 HB2 ASP 531 -7.602 -7.136 2.080 459 HB3 ASP 531 HB1 ASP 531 -5.920 -7.329 2.560 460 H VAL 532 HN VAL 532 -5.050 -8.428 4.859 461 HA VAL 532 HA VAL 532 -5.483 -6.030 6.509 462 HB VAL 532 HB VAL 532 -4.011 -8.558 7.286 463 HG11 VAL 532 HG11 VAL 532 -2.792 -6.608 8.091 464 HG12 VAL 532 HG12 VAL 532 -3.568 -7.451 9.432 465 HG13 VAL 532 HG13 VAL 532 -4.271 -5.961 8.800 466 HG21 VAL 532 HG21 VAL 532 -6.454 -7.240 8.456 467 HG22 VAL 532 HG22 VAL 532 -5.663 -8.687 9.082 468 HG23 VAL 532 HG23 VAL 532 -6.432 -8.719 7.495 469 HA PRO 533 HA PRO 533 -2.153 -4.335 4.189 470 HB2 PRO 533 HB2 PRO 533 -1.500 -2.886 6.696 471 HB3 PRO 533 HB1 PRO 533 -1.841 -2.250 5.088 472 HG2 PRO 533 HG2 PRO 533 -3.640 -2.058 7.032 473 HG3 PRO 533 HG1 PRO 533 -4.121 -2.418 5.378 474 HD2 PRO 533 HD2 PRO 533 -3.886 -4.250 7.713 475 HD3 PRO 533 HD1 PRO 533 -5.114 -4.211 6.434 476 H GLU 534 HN GLU 534 -1.439 -5.346 7.504 477 HA GLU 534 HA GLU 534 1.368 -5.577 6.995 478 HB2 GLU 534 HB2 GLU 534 -0.386 -6.336 9.325 479 HB3 GLU 534 HB1 GLU 534 1.350 -6.617 9.303 480 HG2 GLU 534 HG2 GLU 534 1.816 -4.299 9.155 481 HG3 GLU 534 HG1 GLU 534 0.129 -3.918 8.850 482 H ASP 535 HN ASP 535 -1.384 -7.626 6.732 483 HA ASP 535 HA ASP 535 0.011 -10.121 6.752 484 HB2 ASP 535 HB2 ASP 535 -2.509 -9.684 7.103 485 HB3 ASP 535 HB1 ASP 535 -2.604 -9.605 5.352 486 H VAL 536 HN VAL 536 -1.202 -7.926 4.268 487 HA VAL 536 HA VAL 536 -0.392 -9.431 2.030 488 HB VAL 536 HB VAL 536 -0.765 -6.438 2.264 489 HG11 VAL 536 HG11 VAL 536 -0.732 -8.192 -0.192 490 HG12 VAL 536 HG12 VAL 536 0.554 -7.085 0.292 491 HG13 VAL 536 HG13 VAL 536 -1.035 -6.451 -0.152 492 HG21 VAL 536 HG21 VAL 536 -2.763 -7.686 2.888 493 HG22 VAL 536 HG22 VAL 536 -2.666 -8.605 1.383 494 HG23 VAL 536 HG23 VAL 536 -2.992 -6.872 1.337 495 H ALA 537 HN ALA 537 1.247 -6.898 3.900 496 HA ALA 537 HA ALA 537 3.497 -6.711 2.214 497 HB1 ALA 537 HB1 ALA 537 3.467 -6.164 5.172 498 HB2 ALA 537 HB2 ALA 537 2.879 -5.037 3.950 499 HB3 ALA 537 HB3 ALA 537 4.580 -5.510 3.965 500 H GLN 538 HN GLN 538 2.602 -9.023 4.661 501 HA GLN 538 HA GLN 538 5.159 -10.205 5.008 502 HB2 GLN 538 HB2 GLN 538 2.350 -11.204 5.401 503 HB3 GLN 538 HB1 GLN 538 3.724 -12.287 5.578 504 HG2 GLN 538 HG2 GLN 538 3.316 -9.740 7.120 505 HG3 GLN 538 HG1 GLN 538 2.957 -11.358 7.715 506 HE21 GLN 538 HE21 GLN 538 5.279 -12.547 6.425 507 HE22 GLN 538 HE22 GLN 538 6.652 -12.050 7.348 508 H GLU 539 HN GLU 539 2.445 -10.913 2.847 509 HA GLU 539 HA GLU 539 3.624 -12.995 1.387 510 HB2 GLU 539 HB2 GLU 539 1.779 -10.871 0.270 511 HB3 GLU 539 HB1 GLU 539 1.989 -12.511 -0.326 512 HG2 GLU 539 HG2 GLU 539 0.814 -11.772 2.344 513 HG3 GLU 539 HG1 GLU 539 -0.109 -12.191 0.905 514 H MET 540 HN MET 540 3.707 -9.506 0.995 515 HA MET 540 HA MET 540 5.155 -9.301 -1.357 516 HB2 MET 540 HB2 MET 540 5.064 -7.528 1.069 517 HB3 MET 540 HB1 MET 540 5.932 -7.098 -0.399 518 HG2 MET 540 HG2 MET 540 3.882 -7.267 -1.681 519 HG3 MET 540 HG1 MET 540 3.003 -7.727 -0.225 520 HE1 MET 540 HE1 MET 540 1.896 -4.087 -1.345 521 HE2 MET 540 HE2 MET 540 1.357 -5.754 -1.131 522 HE3 MET 540 HE3 MET 540 2.526 -5.363 -2.391 523 H VAL 541 HN VAL 541 6.291 -9.647 1.970 524 HA VAL 541 HA VAL 541 9.054 -9.468 1.367 525 HB VAL 541 HB VAL 541 7.686 -10.754 3.738 526 HG11 VAL 541 HG11 VAL 541 9.805 -10.607 4.877 527 HG12 VAL 541 HG12 VAL 541 10.552 -9.852 3.470 528 HG13 VAL 541 HG13 VAL 541 10.014 -11.528 3.388 529 HG21 VAL 541 HG21 VAL 541 7.174 -8.372 3.458 530 HG22 VAL 541 HG22 VAL 541 8.902 -8.012 3.431 531 HG23 VAL 541 HG23 VAL 541 8.161 -8.668 4.891 532 H GLU 542 HN GLU 542 6.896 -12.257 1.944 533 HA GLU 542 HA GLU 542 8.915 -14.205 1.713 534 HB2 GLU 542 HB2 GLU 542 5.948 -14.460 1.220 535 HB3 GLU 542 HB1 GLU 542 7.063 -15.811 1.394 536 HG2 GLU 542 HG2 GLU 542 7.632 -14.850 3.673 537 HG3 GLU 542 HG1 GLU 542 6.224 -13.812 3.465 538 H SER 543 HN SER 543 6.838 -12.688 -0.671 539 HA SER 543 HA SER 543 7.488 -14.479 -2.776 540 HB2 SER 543 HB2 SER 543 5.422 -13.073 -2.686 541 HB3 SER 543 HB1 SER 543 6.422 -11.656 -2.994 542 HG SER 543 HG SER 543 5.788 -13.804 -4.691 543 H GLY 544 HN GLY 544 9.172 -11.894 -1.328 544 HA2 GLY 544 HA2 GLY 544 11.473 -11.518 -1.804 545 HA3 GLY 544 HA1 GLY 544 11.192 -12.050 -3.454 546 H TYR 545 HN TYR 545 8.686 -10.065 -2.681 547 HA TYR 545 HA TYR 545 9.653 -7.943 -4.338 548 HB2 TYR 545 HB2 TYR 545 7.140 -8.286 -2.706 549 HB3 TYR 545 HB1 TYR 545 7.482 -6.828 -3.626 550 HD1 TYR 545 HD2 TYR 545 8.312 -7.475 -6.168 551 HD2 TYR 545 HD1 TYR 545 5.681 -9.736 -3.709 552 HE1 TYR 545 HE2 TYR 545 7.356 -8.533 -8.173 553 HE2 TYR 545 HE1 TYR 545 4.721 -10.801 -5.704 554 HH TYR 545 HH TYR 545 4.479 -10.312 -8.111 555 H VAL 546 HN VAL 546 9.052 -8.340 -0.890 556 HA VAL 546 HA VAL 546 10.335 -5.729 -0.425 557 HB VAL 546 HB VAL 546 8.072 -7.009 1.126 558 HG11 VAL 546 HG11 VAL 546 9.686 -5.849 2.601 559 HG12 VAL 546 HG12 VAL 546 8.090 -5.100 2.578 560 HG13 VAL 546 HG13 VAL 546 9.419 -4.368 1.676 561 HG21 VAL 546 HG21 VAL 546 7.444 -5.937 -1.012 562 HG22 VAL 546 HG22 VAL 546 8.153 -4.430 -0.435 563 HG23 VAL 546 HG23 VAL 546 6.754 -5.120 0.391 564 H CYS 547 HN CYS 547 11.742 -5.565 1.293 565 HA CYS 547 HA CYS 547 12.795 -8.047 2.381 566 HB2 CYS 547 HB2 CYS 547 14.390 -6.351 1.623 567 HB3 CYS 547 HB1 CYS 547 13.668 -5.159 2.696 568 HG CYS 547 HG CYS 547 16.045 -5.783 3.861 569 H GLU 548 HN GLU 548 12.528 -8.688 4.450 570 HA GLU 548 HA GLU 548 10.187 -7.918 5.770 571 HB2 GLU 548 HB2 GLU 548 11.325 -10.151 5.874 572 HB3 GLU 548 HB1 GLU 548 12.503 -9.442 6.955 573 HG2 GLU 548 HG2 GLU 548 10.828 -9.031 8.615 574 HG3 GLU 548 HG1 GLU 548 9.552 -9.541 7.510 575 H GLY 549 HN GLY 549 13.383 -6.665 5.971 576 HA2 GLY 549 HA2 GLY 549 13.254 -5.454 8.523 577 HA3 GLY 549 HA1 GLY 549 14.284 -4.943 7.194 578 H ASP 550 HN ASP 550 11.726 -4.694 5.532 579 HA ASP 550 HA ASP 550 10.764 -2.180 6.718 580 HB2 ASP 550 HB2 ASP 550 11.627 -2.763 3.912 581 HB3 ASP 550 HB1 ASP 550 10.379 -1.557 4.197 582 H HIS 551 HN HIS 551 9.698 -4.932 6.828 583 HA HIS 551 HA HIS 551 7.374 -5.242 5.323 584 HB2 HIS 551 HB2 HIS 551 7.978 -7.054 6.740 585 HB3 HIS 551 HB1 HIS 551 8.065 -6.022 8.162 586 HD1 HIS 551 HD1 HIS 551 5.874 -5.553 9.429 587 HD2 HIS 551 HD2 HIS 551 5.368 -7.876 6.020 588 HE1 HIS 551 HE1 HIS 551 3.492 -6.356 9.509 589 HE2 HIS 551 HE2 HIS 551 3.252 -7.873 7.510 590 H LYS 552 HN LYS 552 7.867 -3.528 8.392 591 HA LYS 552 HA LYS 552 5.207 -2.699 8.731 592 HB2 LYS 552 HB2 LYS 552 6.073 -1.136 10.379 593 HB3 LYS 552 HB1 LYS 552 6.833 -2.709 10.546 594 HG2 LYS 552 HG2 LYS 552 8.823 -1.927 9.470 595 HG3 LYS 552 HG1 LYS 552 8.050 -0.384 9.114 596 HD2 LYS 552 HD2 LYS 552 9.539 -0.169 11.028 597 HD3 LYS 552 HD1 LYS 552 7.861 0.065 11.522 598 HE2 LYS 552 HE2 LYS 552 7.766 -2.191 12.385 599 HE3 LYS 552 HE1 LYS 552 9.392 -2.518 11.789 600 HZ1 LYS 552 HZ1 LYS 552 10.236 -0.832 13.301 601 HZ2 LYS 552 HZ2 LYS 552 9.409 -2.038 14.144 602 HZ3 LYS 552 HZ3 LYS 552 8.675 -0.537 13.880 603 H THR 553 HN THR 553 7.918 -1.238 7.100 604 HA THR 553 HA THR 553 6.851 1.289 6.575 605 HB THR 553 HB THR 553 8.692 -0.270 4.757 606 HG1 THR 553 HG1 THR 553 10.369 0.407 6.065 607 HG21 THR 553 HG21 THR 553 8.379 2.690 5.263 608 HG22 THR 553 HG22 THR 553 7.877 1.821 3.812 609 HG23 THR 553 HG23 THR 553 9.589 1.950 4.213 610 H MET 554 HN MET 554 6.732 -1.703 4.669 611 HA MET 554 HA MET 554 5.284 -0.569 2.500 612 HB2 MET 554 HB2 MET 554 5.551 -3.460 3.324 613 HB3 MET 554 HB1 MET 554 4.983 -2.880 1.765 614 HG2 MET 554 HG2 MET 554 7.724 -2.484 2.917 615 HG3 MET 554 HG1 MET 554 7.271 -3.604 1.637 616 HE1 MET 554 HE1 MET 554 9.601 -1.307 1.579 617 HE2 MET 554 HE2 MET 554 9.433 -0.816 -0.108 618 HE3 MET 554 HE3 MET 554 9.341 -2.521 0.326 619 H ALA 555 HN ALA 555 4.390 -2.555 5.276 620 HA ALA 555 HA ALA 555 1.666 -2.841 4.649 621 HB1 ALA 555 HB1 ALA 555 2.968 -2.787 7.375 622 HB2 ALA 555 HB2 ALA 555 2.850 -4.201 6.326 623 HB3 ALA 555 HB3 ALA 555 1.387 -3.467 6.986 624 H LYS 556 HN LYS 556 3.459 -0.329 6.335 625 HA LYS 556 HA LYS 556 1.222 1.176 7.176 626 HB2 LYS 556 HB2 LYS 556 3.592 1.436 7.997 627 HB3 LYS 556 HB1 LYS 556 3.983 2.196 6.464 628 HG2 LYS 556 HG2 LYS 556 1.893 3.256 8.352 629 HG3 LYS 556 HG1 LYS 556 3.582 3.762 8.377 630 HD2 LYS 556 HD2 LYS 556 3.355 4.465 6.014 631 HD3 LYS 556 HD1 LYS 556 1.644 4.053 6.084 632 HE2 LYS 556 HE2 LYS 556 3.044 6.126 7.767 633 HE3 LYS 556 HE1 LYS 556 2.000 6.449 6.386 634 HZ1 LYS 556 HZ1 LYS 556 0.770 6.746 8.398 635 HZ2 LYS 556 HZ2 LYS 556 1.193 5.209 8.958 636 HZ3 LYS 556 HZ3 LYS 556 0.182 5.371 7.615 637 H ALA 557 HN ALA 557 3.259 1.265 4.267 638 HA ALA 557 HA ALA 557 2.023 3.366 2.927 639 HB1 ALA 557 HB1 ALA 557 2.889 2.391 0.882 640 HB2 ALA 557 HB2 ALA 557 3.102 0.833 1.683 641 HB3 ALA 557 HB3 ALA 557 4.088 2.215 2.164 642 H ILE 558 HN ILE 558 1.243 -0.073 2.941 643 HA ILE 558 HA ILE 558 -1.004 0.025 1.258 644 HB ILE 558 HB ILE 558 -0.536 -1.882 3.560 645 HG12 ILE 558 HG12 ILE 558 0.366 -2.127 0.691 646 HG13 ILE 558 HG11 ILE 558 1.411 -1.723 2.035 647 HG21 ILE 558 HG21 ILE 558 -2.771 -2.053 2.672 648 HG22 ILE 558 HG22 ILE 558 -1.827 -3.453 2.155 649 HG23 ILE 558 HG23 ILE 558 -2.143 -2.137 1.027 650 HD11 ILE 558 HD11 ILE 558 -0.075 -4.301 1.641 651 HD12 ILE 558 HD12 ILE 558 0.919 -3.900 3.041 652 HD13 ILE 558 HD13 ILE 558 1.659 -4.038 1.447 653 H LYS 559 HN LYS 559 -0.706 0.177 4.785 654 HA LYS 559 HA LYS 559 -3.482 0.285 5.316 655 HB2 LYS 559 HB2 LYS 559 -1.604 -0.352 6.913 656 HB3 LYS 559 HB1 LYS 559 -1.283 1.366 7.078 657 HG2 LYS 559 HG2 LYS 559 -3.474 1.746 7.997 658 HG3 LYS 559 HG1 LYS 559 -3.919 0.062 7.717 659 HD2 LYS 559 HD2 LYS 559 -1.746 1.037 9.574 660 HD3 LYS 559 HD1 LYS 559 -3.335 0.448 10.061 661 HE2 LYS 559 HE2 LYS 559 -2.759 -1.726 8.932 662 HE3 LYS 559 HE1 LYS 559 -1.120 -1.110 8.739 663 HZ1 LYS 559 HZ1 LYS 559 -1.292 -2.488 10.710 664 HZ2 LYS 559 HZ2 LYS 559 -2.531 -1.509 11.322 665 HZ3 LYS 559 HZ3 LYS 559 -0.970 -0.883 11.150 666 H ASP 560 HN ASP 560 -1.037 2.719 4.730 667 HA ASP 560 HA ASP 560 -2.451 4.990 5.567 668 HB2 ASP 560 HB2 ASP 560 -0.095 5.118 5.161 669 HB3 ASP 560 HB1 ASP 560 -0.308 4.616 3.492 670 H ARG 561 HN ARG 561 -2.205 3.483 2.357 671 HA ARG 561 HA ARG 561 -3.962 5.307 1.107 672 HB2 ARG 561 HB2 ARG 561 -2.379 3.898 -0.144 673 HB3 ARG 561 HB1 ARG 561 -3.300 2.478 0.313 674 HG2 ARG 561 HG2 ARG 561 -3.753 3.317 -1.997 675 HG3 ARG 561 HG1 ARG 561 -5.174 3.172 -0.960 676 HD2 ARG 561 HD2 ARG 561 -5.114 5.546 -0.492 677 HD3 ARG 561 HD1 ARG 561 -3.651 5.725 -1.460 678 HE ARG 561 HE ARG 561 -6.341 5.114 -2.501 679 HH11 ARG 561 HH11 ARG 561 -3.048 6.170 -3.057 680 HH12 ARG 561 HH12 ARG 561 -3.418 6.942 -4.567 681 HH21 ARG 561 HH21 ARG 561 -6.821 6.129 -4.487 682 HH22 ARG 561 HH22 ARG 561 -5.552 6.896 -5.390 683 H VAL 562 HN VAL 562 -4.422 2.045 2.402 684 HA VAL 562 HA VAL 562 -7.126 1.781 1.801 685 HB VAL 562 HB VAL 562 -5.575 0.612 4.118 686 HG11 VAL 562 HG11 VAL 562 -7.943 0.525 4.588 687 HG12 VAL 562 HG12 VAL 562 -7.352 -1.087 4.187 688 HG13 VAL 562 HG13 VAL 562 -8.260 -0.156 2.995 689 HG21 VAL 562 HG21 VAL 562 -4.670 0.004 1.945 690 HG22 VAL 562 HG22 VAL 562 -6.270 -0.504 1.402 691 HG23 VAL 562 HG23 VAL 562 -5.455 -1.384 2.695 692 H SER 563 HN SER 563 -5.549 3.398 4.508 693 HA SER 563 HA SER 563 -7.842 3.756 6.098 694 HB2 SER 563 HB2 SER 563 -5.462 4.081 6.847 695 HB3 SER 563 HB1 SER 563 -5.454 5.605 5.963 696 HG SER 563 HG SER 563 -6.905 6.450 7.356 697 H LEU 564 HN LEU 564 -6.336 5.896 3.659 698 HA LEU 564 HA LEU 564 -8.308 7.920 3.971 699 HB2 LEU 564 HB2 LEU 564 -7.332 8.955 2.020 700 HB3 LEU 564 HB1 LEU 564 -6.085 8.407 3.112 701 HG LEU 564 HG LEU 564 -6.155 6.306 1.488 702 HD11 LEU 564 HD11 LEU 564 -6.968 8.637 -0.243 703 HD12 LEU 564 HD12 LEU 564 -7.916 7.182 0.067 704 HD13 LEU 564 HD13 LEU 564 -6.403 7.074 -0.832 705 HD21 LEU 564 HD21 LEU 564 -4.183 7.598 2.054 706 HD22 LEU 564 HD22 LEU 564 -4.699 8.895 0.979 707 HD23 LEU 564 HD23 LEU 564 -4.248 7.325 0.313 708 H ILE 565 HN ILE 565 -7.928 5.169 1.872 709 HA ILE 565 HA ILE 565 -10.141 5.505 0.211 710 HB ILE 565 HB ILE 565 -8.791 3.056 1.298 711 HG12 ILE 565 HG12 ILE 565 -8.897 4.253 -1.464 712 HG13 ILE 565 HG11 ILE 565 -7.621 4.546 -0.297 713 HG21 ILE 565 HG21 ILE 565 -10.048 1.723 -0.341 714 HG22 ILE 565 HG22 ILE 565 -11.028 3.136 -0.731 715 HG23 ILE 565 HG23 ILE 565 -11.107 2.424 0.882 716 HD11 ILE 565 HD11 ILE 565 -6.960 2.890 -1.921 717 HD12 ILE 565 HD12 ILE 565 -8.344 1.891 -1.473 718 HD13 ILE 565 HD13 ILE 565 -7.059 2.193 -0.304 719 H LYS 566 HN LYS 566 -9.954 3.644 3.247 720 HA LYS 566 HA LYS 566 -12.701 3.089 3.422 721 HB2 LYS 566 HB2 LYS 566 -10.552 3.203 5.522 722 HB3 LYS 566 HB1 LYS 566 -12.209 2.756 5.899 723 HG2 LYS 566 HG2 LYS 566 -12.037 0.906 4.267 724 HG3 LYS 566 HG1 LYS 566 -10.341 1.328 4.025 725 HD2 LYS 566 HD2 LYS 566 -9.853 0.884 6.346 726 HD3 LYS 566 HD1 LYS 566 -11.559 0.593 6.685 727 HE2 LYS 566 HE2 LYS 566 -11.496 -1.319 5.117 728 HE3 LYS 566 HE1 LYS 566 -9.768 -1.051 4.902 729 HZ1 LYS 566 HZ1 LYS 566 -10.248 -2.797 6.523 730 HZ2 LYS 566 HZ2 LYS 566 -11.084 -1.687 7.488 731 HZ3 LYS 566 HZ3 LYS 566 -9.422 -1.501 7.233 732 H ARG 567 HN ARG 567 -10.828 5.845 4.501 733 HA ARG 567 HA ARG 567 -12.643 7.066 6.206 734 HB2 ARG 567 HB2 ARG 567 -10.247 7.736 5.685 735 HB3 ARG 567 HB1 ARG 567 -10.867 8.513 4.235 736 HG2 ARG 567 HG2 ARG 567 -10.669 10.218 5.809 737 HG3 ARG 567 HG1 ARG 567 -12.388 9.826 5.776 738 HD2 ARG 567 HD2 ARG 567 -11.666 10.085 8.066 739 HD3 ARG 567 HD1 ARG 567 -12.068 8.397 7.760 740 HE ARG 567 HE ARG 567 -9.268 9.250 7.574 741 HH11 ARG 567 HH11 ARG 567 -11.765 7.377 9.177 742 HH12 ARG 567 HH12 ARG 567 -10.639 6.526 10.193 743 HH21 ARG 567 HH21 ARG 567 -7.792 8.109 8.903 744 HH22 ARG 567 HH22 ARG 567 -8.391 6.944 10.044 745 H LYS 568 HN LYS 568 -12.490 7.036 2.690 746 HA LYS 568 HA LYS 568 -14.535 8.975 2.279 747 HB2 LYS 568 HB2 LYS 568 -13.600 6.767 0.436 748 HB3 LYS 568 HB1 LYS 568 -14.574 8.153 -0.028 749 HG2 LYS 568 HG2 LYS 568 -12.723 9.643 0.588 750 HG3 LYS 568 HG1 LYS 568 -11.748 8.232 0.997 751 HD2 LYS 568 HD2 LYS 568 -12.859 8.913 -1.726 752 HD3 LYS 568 HD1 LYS 568 -11.175 9.050 -1.220 753 HE2 LYS 568 HE2 LYS 568 -10.988 7.011 -2.159 754 HE3 LYS 568 HE1 LYS 568 -11.662 6.457 -0.629 755 HZ1 LYS 568 HZ1 LYS 568 -12.879 5.437 -2.376 756 HZ2 LYS 568 HZ2 LYS 568 -13.117 6.916 -3.172 757 HZ3 LYS 568 HZ3 LYS 568 -13.893 6.622 -1.700 758 H ARG 569 HN ARG 569 -14.478 5.526 2.805 759 HA ARG 569 HA ARG 569 -17.202 5.066 2.118 760 HB2 ARG 569 HB2 ARG 569 -15.079 3.480 3.513 761 HB3 ARG 569 HB1 ARG 569 -16.740 2.904 3.449 762 HG2 ARG 569 HG2 ARG 569 -15.363 1.958 1.684 763 HG3 ARG 569 HG1 ARG 569 -16.684 2.909 1.033 764 HD2 ARG 569 HD2 ARG 569 -14.997 4.813 0.886 765 HD3 ARG 569 HD1 ARG 569 -13.763 3.589 1.169 766 HE ARG 569 HE ARG 569 -14.040 2.845 -0.979 767 HH11 ARG 569 HH11 ARG 569 -16.715 4.954 -0.143 768 HH12 ARG 569 HH12 ARG 569 -17.323 5.029 -1.764 769 HH21 ARG 569 HH21 ARG 569 -14.817 2.961 -3.108 770 HH22 ARG 569 HH22 ARG 569 -16.258 3.888 -3.443 771 H GLU 570 HN GLU 570 -15.575 6.273 4.892 772 HA GLU 570 HA GLU 570 -17.713 5.768 6.752 773 HB2 GLU 570 HB2 GLU 570 -15.558 7.873 6.984 774 HB3 GLU 570 HB1 GLU 570 -16.503 7.162 8.284 775 HG2 GLU 570 HG2 GLU 570 -15.405 4.959 7.657 776 HG3 GLU 570 HG1 GLU 570 -14.294 5.920 6.688 777 H GLN 571 HN GLN 571 -16.936 8.092 4.360 778 HA GLN 571 HA GLN 571 -18.661 10.165 5.369 779 HB2 GLN 571 HB2 GLN 571 -16.608 10.668 4.078 780 HB3 GLN 571 HB1 GLN 571 -17.314 9.881 2.674 781 HG2 GLN 571 HG2 GLN 571 -19.106 11.550 2.653 782 HG3 GLN 571 HG1 GLN 571 -18.365 12.348 4.039 783 HE21 GLN 571 HE21 GLN 571 -18.051 14.253 2.935 784 HE22 GLN 571 HE22 GLN 571 -16.855 14.428 1.697 785 H ARG 572 HN ARG 572 -20.585 8.875 5.538 786 HA ARG 572 HA ARG 572 -21.907 8.412 2.947 787 HB2 ARG 572 HB2 ARG 572 -22.618 7.195 5.624 788 HB3 ARG 572 HB1 ARG 572 -23.345 6.807 4.074 789 HG2 ARG 572 HG2 ARG 572 -20.483 6.285 4.851 790 HG3 ARG 572 HG1 ARG 572 -21.777 5.089 4.802 791 HD2 ARG 572 HD2 ARG 572 -20.721 6.664 2.455 792 HD3 ARG 572 HD1 ARG 572 -20.382 4.970 2.804 793 HE ARG 572 HE ARG 572 -23.062 6.012 2.136 794 HH11 ARG 572 HH11 ARG 572 -20.623 3.504 1.985 795 HH12 ARG 572 HH12 ARG 572 -21.611 2.429 1.036 796 HH21 ARG 572 HH21 ARG 572 -24.349 4.603 0.875 797 HH22 ARG 572 HH22 ARG 572 -23.713 3.054 0.412 Start of MODEL 19 1 H1 GLY 475 HT1 GLY 475 0.213 13.292 13.821 2 H2 GLY 475 HT2 GLY 475 -0.692 14.594 13.236 3 H3 GLY 475 HT3 GLY 475 0.384 14.820 14.520 4 HA2 GLY 475 HA1 GLY 475 1.115 14.125 11.732 5 HA3 GLY 475 HA2 GLY 475 1.325 15.697 12.491 6 H ALA 476 HN ALA 476 3.563 14.958 11.565 7 HA ALA 476 HA ALA 476 5.122 14.100 13.874 8 HB1 ALA 476 HB1 ALA 476 5.412 12.766 11.176 9 HB2 ALA 476 HB2 ALA 476 4.679 12.031 12.603 10 HB3 ALA 476 HB3 ALA 476 6.390 12.454 12.610 11 H MET 477 HN MET 477 4.656 16.578 12.308 12 HA MET 477 HA MET 477 5.755 18.342 11.398 13 HB2 MET 477 HB2 MET 477 8.241 16.787 12.156 14 HB3 MET 477 HB1 MET 477 8.252 18.426 11.521 15 HG2 MET 477 HG2 MET 477 6.993 19.198 13.451 16 HG3 MET 477 HG1 MET 477 6.931 17.553 14.081 17 HE1 MET 477 HE1 MET 477 9.197 20.628 13.244 18 HE2 MET 477 HE2 MET 477 9.986 19.358 12.308 19 HE3 MET 477 HE3 MET 477 10.798 20.055 13.710 20 H ASP 478 HN ASP 478 7.809 15.589 10.485 21 HA ASP 478 HA ASP 478 7.702 16.309 7.695 22 HB2 ASP 478 HB2 ASP 478 9.014 14.204 7.380 23 HB3 ASP 478 HB1 ASP 478 9.753 15.321 8.518 24 HA PRO 479 HA PRO 479 4.146 13.854 6.658 25 HB2 PRO 479 HB2 PRO 479 4.698 13.259 4.076 26 HB3 PRO 479 HB1 PRO 479 4.234 14.885 4.592 27 HG2 PRO 479 HG2 PRO 479 6.973 13.781 4.080 28 HG3 PRO 479 HG1 PRO 479 6.272 15.319 3.539 29 HD2 PRO 479 HD2 PRO 479 7.903 15.181 5.675 30 HD3 PRO 479 HD1 PRO 479 6.538 16.315 5.607 31 H GLN 480 HN GLN 480 5.107 12.267 8.224 32 HA GLN 480 HA GLN 480 6.024 10.299 8.872 33 HB2 GLN 480 HB2 GLN 480 4.976 8.305 7.751 34 HB3 GLN 480 HB1 GLN 480 3.856 9.499 8.378 35 HG2 GLN 480 HG2 GLN 480 3.525 10.367 6.116 36 HG3 GLN 480 HG1 GLN 480 4.647 9.160 5.494 37 HE21 GLN 480 HE21 GLN 480 1.795 9.635 4.938 38 HE22 GLN 480 HE22 GLN 480 0.990 8.136 5.268 39 H GLU 481 HN GLU 481 8.097 11.226 8.070 40 HA GLU 481 HA GLU 481 9.218 10.162 5.646 41 HB2 GLU 481 HB2 GLU 481 9.833 12.368 6.720 42 HB3 GLU 481 HB1 GLU 481 10.696 11.449 7.942 43 HG2 GLU 481 HG2 GLU 481 12.280 12.204 6.347 44 HG3 GLU 481 HG1 GLU 481 12.086 10.467 6.122 45 H GLU 482 HN GLU 482 8.322 8.032 6.872 46 HA GLU 482 HA GLU 482 10.777 6.566 7.500 47 HB2 GLU 482 HB2 GLU 482 9.594 5.250 9.214 48 HB3 GLU 482 HB1 GLU 482 9.682 6.948 9.656 49 HG2 GLU 482 HG2 GLU 482 7.388 7.287 9.030 50 HG3 GLU 482 HG1 GLU 482 7.279 5.643 8.400 51 H THR 483 HN THR 483 8.827 7.045 5.235 52 HA THR 483 HA THR 483 7.954 4.272 4.824 53 HB THR 483 HB THR 483 6.334 5.381 3.141 54 HG1 THR 483 HG1 THR 483 6.649 7.600 4.894 55 HG21 THR 483 HG21 THR 483 5.956 5.686 6.120 56 HG22 THR 483 HG22 THR 483 5.581 4.258 5.153 57 HG23 THR 483 HG23 THR 483 4.666 5.746 4.918 58 H GLY 484 HN GLY 484 8.416 7.070 2.645 59 HA2 GLY 484 HA2 GLY 484 9.396 7.140 0.560 60 HA3 GLY 484 HA1 GLY 484 10.430 5.809 1.086 61 H VAL 485 HN VAL 485 6.961 5.795 1.069 62 HA VAL 485 HA VAL 485 6.761 4.258 -1.379 63 HB VAL 485 HB VAL 485 5.192 2.668 0.054 64 HG11 VAL 485 HG11 VAL 485 7.043 1.941 -1.379 65 HG12 VAL 485 HG12 VAL 485 6.933 1.015 0.121 66 HG13 VAL 485 HG13 VAL 485 8.169 2.264 -0.058 67 HG21 VAL 485 HG21 VAL 485 6.228 2.106 2.205 68 HG22 VAL 485 HG22 VAL 485 5.595 3.754 2.166 69 HG23 VAL 485 HG23 VAL 485 7.329 3.472 2.008 70 H ARG 486 HN ARG 486 4.523 3.928 -1.985 71 HA ARG 486 HA ARG 486 2.440 5.127 -0.428 72 HB2 ARG 486 HB2 ARG 486 3.328 7.134 -1.499 73 HB3 ARG 486 HB1 ARG 486 3.168 6.383 -3.082 74 HG2 ARG 486 HG2 ARG 486 1.353 7.964 -2.621 75 HG3 ARG 486 HG1 ARG 486 0.752 6.318 -2.831 76 HD2 ARG 486 HD2 ARG 486 -0.368 7.334 -0.951 77 HD3 ARG 486 HD1 ARG 486 0.710 6.058 -0.366 78 HE ARG 486 HE ARG 486 1.485 8.913 -0.335 79 HH11 ARG 486 HH11 ARG 486 1.074 5.857 1.338 80 HH12 ARG 486 HH12 ARG 486 1.851 6.408 2.780 81 HH21 ARG 486 HH21 ARG 486 2.504 9.624 1.544 82 HH22 ARG 486 HH22 ARG 486 2.678 8.556 2.896 83 H VAL 487 HN VAL 487 0.456 4.367 -0.993 84 HA VAL 487 HA VAL 487 0.419 2.469 -3.232 85 HB VAL 487 HB VAL 487 -1.190 2.389 -0.677 86 HG11 VAL 487 HG11 VAL 487 -2.420 1.450 -2.569 87 HG12 VAL 487 HG12 VAL 487 -1.922 0.183 -1.447 88 HG13 VAL 487 HG13 VAL 487 -1.045 0.419 -2.959 89 HG21 VAL 487 HG21 VAL 487 1.126 0.732 -1.643 90 HG22 VAL 487 HG22 VAL 487 0.193 0.422 -0.178 91 HG23 VAL 487 HG23 VAL 487 1.145 1.906 -0.323 92 H GLU 488 HN GLU 488 -1.104 2.658 -4.726 93 HA GLU 488 HA GLU 488 -3.224 4.658 -4.317 94 HB2 GLU 488 HB2 GLU 488 -1.531 4.331 -6.802 95 HB3 GLU 488 HB1 GLU 488 -2.915 5.404 -6.649 96 HG2 GLU 488 HG2 GLU 488 -1.693 6.577 -4.811 97 HG3 GLU 488 HG1 GLU 488 -0.283 5.597 -5.213 98 H LEU 489 HN LEU 489 -4.984 4.464 -5.834 99 HA LEU 489 HA LEU 489 -5.798 1.717 -6.116 100 HB2 LEU 489 HB2 LEU 489 -7.164 4.329 -6.730 101 HB3 LEU 489 HB1 LEU 489 -7.922 2.759 -6.918 102 HG LEU 489 HG LEU 489 -6.800 3.634 -4.273 103 HD11 LEU 489 HD11 LEU 489 -9.048 4.410 -3.688 104 HD12 LEU 489 HD12 LEU 489 -9.573 4.136 -5.350 105 HD13 LEU 489 HD13 LEU 489 -8.356 5.364 -5.000 106 HD21 LEU 489 HD21 LEU 489 -7.367 1.257 -4.603 107 HD22 LEU 489 HD22 LEU 489 -9.011 1.723 -5.037 108 HD23 LEU 489 HD23 LEU 489 -8.407 2.030 -3.409 109 H ALA 490 HN ALA 490 -5.668 0.540 -7.898 110 HA ALA 490 HA ALA 490 -4.642 1.607 -10.353 111 HB1 ALA 490 HB1 ALA 490 -4.157 -0.692 -9.616 112 HB2 ALA 490 HB2 ALA 490 -4.914 -0.659 -11.207 113 HB3 ALA 490 HB3 ALA 490 -5.864 -1.095 -9.788 114 H GLU 491 HN GLU 491 -7.648 1.520 -8.931 115 HA GLU 491 HA GLU 491 -9.068 2.024 -11.418 116 HB2 GLU 491 HB2 GLU 491 -10.852 0.395 -10.684 117 HB3 GLU 491 HB1 GLU 491 -9.344 -0.341 -11.211 118 HG2 GLU 491 HG2 GLU 491 -8.684 -0.445 -8.783 119 HG3 GLU 491 HG1 GLU 491 -10.342 0.008 -8.399 120 H GLU 492 HN GLU 492 -11.550 2.346 -10.657 121 HA GLU 492 HA GLU 492 -11.414 4.489 -8.717 122 HB2 GLU 492 HB2 GLU 492 -13.668 3.492 -10.466 123 HB3 GLU 492 HB1 GLU 492 -13.788 4.874 -9.384 124 HG2 GLU 492 HG2 GLU 492 -12.122 6.067 -10.619 125 HG3 GLU 492 HG1 GLU 492 -11.790 4.653 -11.620 126 H ASP 493 HN ASP 493 -11.945 4.294 -6.665 127 HA ASP 493 HA ASP 493 -12.781 1.715 -5.692 128 HB2 ASP 493 HB2 ASP 493 -11.014 2.838 -4.501 129 HB3 ASP 493 HB1 ASP 493 -12.031 4.250 -4.229 130 H ASP 494 HN ASP 494 -14.879 1.548 -6.425 131 HA ASP 494 HA ASP 494 -16.835 2.564 -4.588 132 HB2 ASP 494 HB2 ASP 494 -16.654 4.233 -6.559 133 HB3 ASP 494 HB1 ASP 494 -17.307 2.942 -7.559 134 H GLY 495 HN GLY 495 -18.988 1.605 -6.306 135 HA2 GLY 495 HA2 GLY 495 -19.923 -0.307 -7.202 136 HA3 GLY 495 HA1 GLY 495 -18.306 -0.946 -7.388 137 H GLU 496 HN GLU 496 -18.482 -0.172 -4.219 138 HA GLU 496 HA GLU 496 -18.709 -1.320 -2.287 139 HB2 GLU 496 HB2 GLU 496 -20.914 -2.660 -3.844 140 HB3 GLU 496 HB1 GLU 496 -20.587 -3.006 -2.150 141 HG2 GLU 496 HG2 GLU 496 -21.213 -0.272 -3.233 142 HG3 GLU 496 HG1 GLU 496 -22.400 -1.360 -2.521 143 H LYS 497 HN LYS 497 -17.268 -2.471 -4.826 144 HA LYS 497 HA LYS 497 -16.896 -5.217 -4.346 145 HB2 LYS 497 HB2 LYS 497 -14.723 -4.747 -5.632 146 HB3 LYS 497 HB1 LYS 497 -16.240 -4.465 -6.462 147 HG2 LYS 497 HG2 LYS 497 -16.032 -2.060 -5.940 148 HG3 LYS 497 HG1 LYS 497 -14.468 -2.387 -5.193 149 HD2 LYS 497 HD2 LYS 497 -13.610 -3.189 -7.332 150 HD3 LYS 497 HD1 LYS 497 -15.189 -2.915 -8.076 151 HE2 LYS 497 HE2 LYS 497 -14.988 -0.513 -7.449 152 HE3 LYS 497 HE1 LYS 497 -13.347 -0.841 -6.897 153 HZ1 LYS 497 HZ1 LYS 497 -12.736 -1.490 -9.123 154 HZ2 LYS 497 HZ2 LYS 497 -13.416 0.065 -9.148 155 HZ3 LYS 497 HZ3 LYS 497 -14.328 -1.261 -9.665 156 H ILE 498 HN ILE 498 -15.870 -6.194 -2.767 157 HA ILE 498 HA ILE 498 -14.660 -4.644 -0.683 158 HB ILE 498 HB ILE 498 -15.101 -7.597 -1.011 159 HG12 ILE 498 HG12 ILE 498 -17.087 -6.136 -0.716 160 HG13 ILE 498 HG11 ILE 498 -16.854 -7.264 0.602 161 HG21 ILE 498 HG21 ILE 498 -14.503 -7.806 1.363 162 HG22 ILE 498 HG22 ILE 498 -14.017 -6.110 1.377 163 HG23 ILE 498 HG23 ILE 498 -13.140 -7.271 0.381 164 HD11 ILE 498 HD11 ILE 498 -16.134 -4.354 0.628 165 HD12 ILE 498 HD12 ILE 498 -15.865 -5.491 1.949 166 HD13 ILE 498 HD13 ILE 498 -17.509 -5.101 1.441 167 H ALA 499 HN ALA 499 -13.608 -6.726 -3.250 168 HA ALA 499 HA ALA 499 -10.847 -6.507 -2.309 169 HB1 ALA 499 HB1 ALA 499 -11.567 -8.741 -2.694 170 HB2 ALA 499 HB2 ALA 499 -10.401 -8.298 -3.946 171 HB3 ALA 499 HB3 ALA 499 -12.131 -8.328 -4.314 172 H ILE 500 HN ILE 500 -9.617 -5.058 -3.171 173 HA ILE 500 HA ILE 500 -10.357 -3.897 -5.771 174 HB ILE 500 HB ILE 500 -9.407 -1.811 -5.016 175 HG12 ILE 500 HG12 ILE 500 -8.697 -3.351 -2.513 176 HG13 ILE 500 HG11 ILE 500 -7.588 -2.582 -3.640 177 HG21 ILE 500 HG21 ILE 500 -11.739 -2.285 -4.465 178 HG22 ILE 500 HG22 ILE 500 -10.982 -1.253 -3.251 179 HG23 ILE 500 HG23 ILE 500 -11.224 -2.971 -2.923 180 HD11 ILE 500 HD11 ILE 500 -8.429 -0.398 -2.985 181 HD12 ILE 500 HD12 ILE 500 -7.806 -1.298 -1.601 182 HD13 ILE 500 HD13 ILE 500 -9.546 -1.167 -1.858 183 H LYS 501 HN LYS 501 -8.266 -2.538 -6.507 184 HA LYS 501 HA LYS 501 -5.961 -4.351 -6.386 185 HB2 LYS 501 HB2 LYS 501 -7.259 -4.651 -8.483 186 HB3 LYS 501 HB1 LYS 501 -7.003 -2.953 -8.852 187 HG2 LYS 501 HG2 LYS 501 -4.689 -3.270 -9.164 188 HG3 LYS 501 HG1 LYS 501 -4.744 -4.886 -8.459 189 HD2 LYS 501 HD2 LYS 501 -4.567 -5.040 -10.872 190 HD3 LYS 501 HD1 LYS 501 -6.133 -5.646 -10.341 191 HE2 LYS 501 HE2 LYS 501 -5.865 -2.793 -11.178 192 HE3 LYS 501 HE1 LYS 501 -5.947 -4.049 -12.408 193 HZ1 LYS 501 HZ1 LYS 501 -8.130 -3.219 -11.991 194 HZ2 LYS 501 HZ2 LYS 501 -7.988 -3.466 -10.324 195 HZ3 LYS 501 HZ3 LYS 501 -8.048 -4.791 -11.377 196 H LEU 502 HN LEU 502 -4.318 -3.320 -5.529 197 HA LEU 502 HA LEU 502 -4.112 -0.391 -5.831 198 HB2 LEU 502 HB2 LEU 502 -3.097 -2.190 -3.629 199 HB3 LEU 502 HB1 LEU 502 -2.882 -0.454 -3.698 200 HG LEU 502 HG LEU 502 -5.609 -1.722 -3.606 201 HD11 LEU 502 HD11 LEU 502 -4.358 -2.460 -1.652 202 HD12 LEU 502 HD12 LEU 502 -5.597 -1.289 -1.203 203 HD13 LEU 502 HD13 LEU 502 -3.908 -0.792 -1.299 204 HD21 LEU 502 HD21 LEU 502 -4.643 1.026 -2.827 205 HD22 LEU 502 HD22 LEU 502 -6.312 0.453 -2.860 206 HD23 LEU 502 HD23 LEU 502 -5.408 0.626 -4.364 207 H TRP 503 HN TRP 503 -1.896 0.471 -5.925 208 HA TRP 503 HA TRP 503 0.117 -1.535 -6.689 209 HB2 TRP 503 HB2 TRP 503 -0.306 1.223 -7.823 210 HB3 TRP 503 HB1 TRP 503 1.185 0.325 -8.041 211 HD1 TRP 503 HD1 TRP 503 -2.571 -0.253 -8.719 212 HE1 TRP 503 HE1 TRP 503 -2.813 -1.436 -10.994 213 HE3 TRP 503 HE3 TRP 503 2.359 -0.924 -9.794 214 HZ2 TRP 503 HZ2 TRP 503 -1.124 -2.527 -12.964 215 HZ3 TRP 503 HZ3 TRP 503 2.963 -2.068 -11.880 216 HH2 TRP 503 HH2 TRP 503 1.261 -2.853 -13.432 217 H LEU 504 HN LEU 504 1.828 -1.616 -5.420 218 HA LEU 504 HA LEU 504 2.275 0.397 -3.393 219 HB2 LEU 504 HB2 LEU 504 2.566 -1.963 -2.868 220 HB3 LEU 504 HB1 LEU 504 3.800 -2.107 -4.093 221 HG LEU 504 HG LEU 504 5.176 -0.459 -2.783 222 HD11 LEU 504 HD11 LEU 504 4.615 -0.173 -0.413 223 HD12 LEU 504 HD12 LEU 504 3.069 -0.975 -0.692 224 HD13 LEU 504 HD13 LEU 504 3.419 0.566 -1.477 225 HD21 LEU 504 HD21 LEU 504 5.624 -2.844 -2.717 226 HD22 LEU 504 HD22 LEU 504 4.433 -3.048 -1.432 227 HD23 LEU 504 HD23 LEU 504 5.901 -2.115 -1.134 228 H ARG 505 HN ARG 505 2.989 2.227 -4.309 229 HA ARG 505 HA ARG 505 5.084 2.262 -6.285 230 HB2 ARG 505 HB2 ARG 505 3.382 4.267 -4.952 231 HB3 ARG 505 HB1 ARG 505 4.940 4.814 -5.557 232 HG2 ARG 505 HG2 ARG 505 4.379 3.994 -7.773 233 HG3 ARG 505 HG1 ARG 505 2.821 3.417 -7.171 234 HD2 ARG 505 HD2 ARG 505 2.733 5.612 -8.324 235 HD3 ARG 505 HD1 ARG 505 2.115 5.622 -6.677 236 HE ARG 505 HE ARG 505 4.863 6.333 -6.746 237 HH11 ARG 505 HH11 ARG 505 1.653 7.604 -7.357 238 HH12 ARG 505 HH12 ARG 505 2.123 9.252 -7.060 239 HH21 ARG 505 HH21 ARG 505 5.457 8.479 -6.293 240 HH22 ARG 505 HH22 ARG 505 4.284 9.747 -6.455 241 H ILE 506 HN ILE 506 7.146 2.011 -5.781 242 HA ILE 506 HA ILE 506 8.088 2.506 -3.082 243 HB ILE 506 HB ILE 506 9.754 1.715 -5.462 244 HG12 ILE 506 HG12 ILE 506 7.907 0.103 -5.211 245 HG13 ILE 506 HG11 ILE 506 9.456 -0.621 -4.790 246 HG21 ILE 506 HG21 ILE 506 10.134 1.435 -2.497 247 HG22 ILE 506 HG22 ILE 506 11.043 2.476 -3.595 248 HG23 ILE 506 HG23 ILE 506 11.195 0.723 -3.712 249 HD11 ILE 506 HD11 ILE 506 8.932 -0.323 -2.417 250 HD12 ILE 506 HD12 ILE 506 7.729 -1.312 -3.244 251 HD13 ILE 506 HD13 ILE 506 7.374 0.371 -2.856 252 H GLU 507 HN GLU 507 8.639 4.489 -2.492 253 HA GLU 507 HA GLU 507 9.093 6.506 -4.535 254 HB2 GLU 507 HB2 GLU 507 8.512 6.663 -1.581 255 HB3 GLU 507 HB1 GLU 507 8.751 8.060 -2.616 256 HG2 GLU 507 HG2 GLU 507 6.642 5.995 -3.122 257 HG3 GLU 507 HG1 GLU 507 6.378 7.427 -2.128 258 H ASP 508 HN ASP 508 10.676 5.222 -1.618 259 HA ASP 508 HA ASP 508 13.187 6.409 -2.543 260 HB2 ASP 508 HB2 ASP 508 12.002 7.983 -0.907 261 HB3 ASP 508 HB1 ASP 508 12.311 6.763 0.324 262 H ILE 509 HN ILE 509 14.147 4.470 -2.893 263 HA ILE 509 HA ILE 509 13.806 2.275 -1.104 264 HB ILE 509 HB ILE 509 15.311 1.053 -2.538 265 HG12 ILE 509 HG12 ILE 509 15.989 2.571 -4.677 266 HG13 ILE 509 HG11 ILE 509 16.154 3.750 -3.378 267 HG21 ILE 509 HG21 ILE 509 13.453 2.809 -4.115 268 HG22 ILE 509 HG22 ILE 509 13.028 1.318 -3.279 269 HG23 ILE 509 HG23 ILE 509 14.121 1.272 -4.661 270 HD11 ILE 509 HD11 ILE 509 17.677 2.238 -2.212 271 HD12 ILE 509 HD12 ILE 509 18.263 2.651 -3.824 272 HD13 ILE 509 HD13 ILE 509 17.524 1.075 -3.532 273 H LYS 510 HN LYS 510 15.636 4.986 -0.732 274 HA LYS 510 HA LYS 510 17.983 3.791 0.408 275 HB2 LYS 510 HB2 LYS 510 16.880 6.591 0.648 276 HB3 LYS 510 HB1 LYS 510 18.464 6.080 1.199 277 HG2 LYS 510 HG2 LYS 510 17.500 6.077 -1.647 278 HG3 LYS 510 HG1 LYS 510 18.604 7.247 -0.926 279 HD2 LYS 510 HD2 LYS 510 20.206 5.423 -0.492 280 HD3 LYS 510 HD1 LYS 510 19.104 4.291 -1.277 281 HE2 LYS 510 HE2 LYS 510 20.415 6.681 -2.564 282 HE3 LYS 510 HE1 LYS 510 20.867 4.996 -2.804 283 HZ1 LYS 510 HZ1 LYS 510 18.673 4.594 -3.750 284 HZ2 LYS 510 HZ2 LYS 510 19.497 5.787 -4.613 285 HZ3 LYS 510 HZ3 LYS 510 18.265 6.222 -3.542 286 H LYS 511 HN LYS 511 14.802 4.575 1.444 287 HA LYS 511 HA LYS 511 15.326 4.466 4.254 288 HB2 LYS 511 HB2 LYS 511 13.451 5.747 3.706 289 HB3 LYS 511 HB1 LYS 511 12.931 4.606 2.471 290 HG2 LYS 511 HG2 LYS 511 11.409 4.397 4.248 291 HG3 LYS 511 HG1 LYS 511 12.488 3.001 4.279 292 HD2 LYS 511 HD2 LYS 511 13.867 4.263 5.967 293 HD3 LYS 511 HD1 LYS 511 12.521 5.394 6.090 294 HE2 LYS 511 HE2 LYS 511 12.395 3.724 7.856 295 HE3 LYS 511 HE1 LYS 511 11.040 3.553 6.742 296 HZ1 LYS 511 HZ1 LYS 511 13.511 1.906 6.672 297 HZ2 LYS 511 HZ2 LYS 511 12.146 1.705 5.696 298 HZ3 LYS 511 HZ3 LYS 511 12.044 1.414 7.354 299 H LEU 512 HN LEU 512 14.571 2.320 1.673 300 HA LEU 512 HA LEU 512 13.617 0.204 3.393 301 HB2 LEU 512 HB2 LEU 512 14.158 0.102 0.432 302 HB3 LEU 512 HB1 LEU 512 13.107 -0.948 1.367 303 HG LEU 512 HG LEU 512 12.625 1.986 0.830 304 HD11 LEU 512 HD11 LEU 512 11.307 -0.479 -0.288 305 HD12 LEU 512 HD12 LEU 512 12.323 0.664 -1.165 306 HD13 LEU 512 HD13 LEU 512 10.757 1.177 -0.538 307 HD21 LEU 512 HD21 LEU 512 10.914 -0.059 2.238 308 HD22 LEU 512 HD22 LEU 512 10.427 1.588 1.831 309 HD23 LEU 512 HD23 LEU 512 11.732 1.313 2.987 310 H LYS 513 HN LYS 513 14.636 -1.751 3.729 311 HA LYS 513 HA LYS 513 17.535 -1.694 3.247 312 HB2 LYS 513 HB2 LYS 513 16.589 -1.909 5.605 313 HB3 LYS 513 HB1 LYS 513 16.047 -3.516 5.141 314 HG2 LYS 513 HG2 LYS 513 18.154 -3.589 6.369 315 HG3 LYS 513 HG1 LYS 513 18.340 -4.197 4.724 316 HD2 LYS 513 HD2 LYS 513 19.318 -2.098 4.020 317 HD3 LYS 513 HD1 LYS 513 19.032 -1.397 5.612 318 HE2 LYS 513 HE2 LYS 513 20.567 -2.994 6.609 319 HE3 LYS 513 HE1 LYS 513 20.816 -3.761 5.041 320 HZ1 LYS 513 HZ1 LYS 513 22.610 -2.229 5.625 321 HZ2 LYS 513 HZ2 LYS 513 21.513 -0.946 5.693 322 HZ3 LYS 513 HZ3 LYS 513 21.805 -1.733 4.224 323 H GLY 514 HN GLY 514 16.224 -2.251 1.036 324 HA2 GLY 514 HA2 GLY 514 16.900 -5.041 0.548 325 HA3 GLY 514 HA1 GLY 514 15.244 -4.560 0.205 326 H LYS 515 HN LYS 515 16.470 -5.491 -1.918 327 HA LYS 515 HA LYS 515 17.706 -3.237 -3.328 328 HB2 LYS 515 HB2 LYS 515 17.445 -6.125 -4.189 329 HB3 LYS 515 HB1 LYS 515 18.368 -4.877 -5.011 330 HG2 LYS 515 HG2 LYS 515 19.861 -4.699 -3.095 331 HG3 LYS 515 HG1 LYS 515 18.926 -5.934 -2.246 332 HD2 LYS 515 HD2 LYS 515 19.455 -7.530 -4.048 333 HD3 LYS 515 HD1 LYS 515 20.443 -6.294 -4.829 334 HE2 LYS 515 HE2 LYS 515 21.894 -6.207 -2.870 335 HE3 LYS 515 HE1 LYS 515 20.899 -7.421 -2.073 336 HZ1 LYS 515 HZ1 LYS 515 22.488 -7.802 -4.548 337 HZ2 LYS 515 HZ2 LYS 515 21.467 -8.966 -3.873 338 HZ3 LYS 515 HZ3 LYS 515 22.832 -8.450 -3.025 339 H TYR 516 HN TYR 516 15.627 -2.157 -3.391 340 HA TYR 516 HA TYR 516 13.632 -3.279 -5.211 341 HB2 TYR 516 HB2 TYR 516 13.582 -0.666 -3.685 342 HB3 TYR 516 HB1 TYR 516 12.229 -1.409 -4.526 343 HD1 TYR 516 HD2 TYR 516 14.525 -1.773 -1.665 344 HD2 TYR 516 HD1 TYR 516 10.858 -2.993 -3.431 345 HE1 TYR 516 HE2 TYR 516 13.903 -2.887 0.421 346 HE2 TYR 516 HE1 TYR 516 10.220 -4.110 -1.337 347 HH TYR 516 HH TYR 516 12.092 -3.708 1.589 348 H LYS 517 HN LYS 517 12.624 -1.475 -6.666 349 HA LYS 517 HA LYS 517 14.797 0.049 -7.941 350 HB2 LYS 517 HB2 LYS 517 12.120 -0.766 -9.097 351 HB3 LYS 517 HB1 LYS 517 13.386 0.107 -9.948 352 HG2 LYS 517 HG2 LYS 517 14.870 -1.844 -9.669 353 HG3 LYS 517 HG1 LYS 517 13.535 -2.714 -8.913 354 HD2 LYS 517 HD2 LYS 517 13.665 -3.365 -11.220 355 HD3 LYS 517 HD1 LYS 517 12.218 -2.385 -10.996 356 HE2 LYS 517 HE2 LYS 517 13.316 -0.461 -11.940 357 HE3 LYS 517 HE1 LYS 517 14.846 -1.333 -12.026 358 HZ1 LYS 517 HZ1 LYS 517 13.858 -2.843 -13.627 359 HZ2 LYS 517 HZ2 LYS 517 13.760 -1.247 -14.174 360 HZ3 LYS 517 HZ3 LYS 517 12.387 -2.010 -13.547 361 H ASP 518 HN ASP 518 14.705 2.210 -7.882 362 HA ASP 518 HA ASP 518 12.728 3.396 -6.152 363 HB2 ASP 518 HB2 ASP 518 15.262 3.870 -6.199 364 HB3 ASP 518 HB1 ASP 518 14.915 4.881 -7.596 365 H ASN 519 HN ASN 519 11.639 2.475 -8.526 366 HA ASN 519 HA ASN 519 10.187 4.718 -9.427 367 HB2 ASN 519 HB2 ASN 519 10.859 4.692 -11.803 368 HB3 ASN 519 HB1 ASN 519 12.192 5.166 -10.759 369 HD21 ASN 519 HD21 ASN 519 13.968 3.838 -10.572 370 HD22 ASN 519 HD22 ASN 519 14.243 2.492 -11.622 371 H GLU 520 HN GLU 520 9.800 2.062 -8.335 372 HA GLU 520 HA GLU 520 8.273 0.840 -10.528 373 HB2 GLU 520 HB2 GLU 520 10.238 -0.523 -10.069 374 HB3 GLU 520 HB1 GLU 520 9.830 -0.578 -8.359 375 HG2 GLU 520 HG2 GLU 520 7.872 -1.888 -8.808 376 HG3 GLU 520 HG1 GLU 520 8.103 -1.710 -10.549 377 H ALA 521 HN ALA 521 6.311 -0.081 -10.027 378 HA ALA 521 HA ALA 521 5.334 0.245 -7.272 379 HB1 ALA 521 HB1 ALA 521 3.152 0.905 -8.128 380 HB2 ALA 521 HB2 ALA 521 3.752 0.804 -9.783 381 HB3 ALA 521 HB3 ALA 521 4.395 2.025 -8.685 382 H ILE 522 HN ILE 522 4.337 -1.446 -6.449 383 HA ILE 522 HA ILE 522 4.163 -3.830 -8.147 384 HB ILE 522 HB ILE 522 4.457 -3.528 -5.159 385 HG12 ILE 522 HG12 ILE 522 6.335 -4.636 -7.255 386 HG13 ILE 522 HG11 ILE 522 6.460 -3.049 -6.519 387 HG21 ILE 522 HG21 ILE 522 4.691 -5.965 -5.091 388 HG22 ILE 522 HG22 ILE 522 4.321 -6.047 -6.812 389 HG23 ILE 522 HG23 ILE 522 3.095 -5.489 -5.672 390 HD11 ILE 522 HD11 ILE 522 8.039 -4.573 -5.527 391 HD12 ILE 522 HD12 ILE 522 6.737 -5.687 -5.112 392 HD13 ILE 522 HD13 ILE 522 6.823 -4.104 -4.339 393 H GLU 523 HN GLU 523 2.181 -4.068 -8.911 394 HA GLU 523 HA GLU 523 -0.213 -3.171 -7.653 395 HB2 GLU 523 HB2 GLU 523 -0.168 -3.353 -10.008 396 HB3 GLU 523 HB1 GLU 523 0.365 -5.021 -9.963 397 HG2 GLU 523 HG2 GLU 523 -1.876 -5.517 -8.837 398 HG3 GLU 523 HG1 GLU 523 -2.339 -3.884 -9.323 399 H PHE 524 HN PHE 524 -1.353 -4.116 -6.086 400 HA PHE 524 HA PHE 524 -1.393 -7.030 -5.846 401 HB2 PHE 524 HB2 PHE 524 -1.136 -6.945 -3.402 402 HB3 PHE 524 HB1 PHE 524 0.291 -6.298 -4.206 403 HD1 PHE 524 HD2 PHE 524 0.611 -3.815 -4.287 404 HD2 PHE 524 HD1 PHE 524 -2.368 -5.661 -1.874 405 HE1 PHE 524 HE2 PHE 524 0.414 -1.755 -2.962 406 HE2 PHE 524 HE1 PHE 524 -2.571 -3.601 -0.545 407 HZ PHE 524 HZ PHE 524 -1.117 -1.705 -0.990 408 H SER 525 HN SER 525 -3.329 -7.843 -5.088 409 HA SER 525 HA SER 525 -5.548 -5.965 -5.146 410 HB2 SER 525 HB2 SER 525 -6.854 -8.213 -4.993 411 HB3 SER 525 HB1 SER 525 -6.001 -7.824 -6.486 412 HG SER 525 HG SER 525 -4.773 -9.330 -4.424 413 H PHE 526 HN PHE 526 -7.023 -5.659 -3.432 414 HA PHE 526 HA PHE 526 -6.124 -6.792 -0.863 415 HB2 PHE 526 HB2 PHE 526 -5.358 -4.376 -1.292 416 HB3 PHE 526 HB1 PHE 526 -7.055 -3.938 -1.160 417 HD1 PHE 526 HD1 PHE 526 -8.250 -4.291 0.986 418 HD2 PHE 526 HD2 PHE 526 -4.051 -4.837 0.612 419 HE1 PHE 526 HE1 PHE 526 -8.017 -4.144 3.431 420 HE2 PHE 526 HE2 PHE 526 -3.811 -4.699 3.056 421 HZ PHE 526 HZ PHE 526 -5.796 -4.351 4.466 422 H ASP 527 HN ASP 527 -7.708 -7.983 -0.116 423 HA ASP 527 HA ASP 527 -10.488 -7.317 -0.560 424 HB2 ASP 527 HB2 ASP 527 -9.581 -9.671 -0.373 425 HB3 ASP 527 HB1 ASP 527 -9.313 -9.358 1.333 426 H LEU 528 HN LEU 528 -11.308 -5.643 0.527 427 HA LEU 528 HA LEU 528 -9.936 -4.426 2.661 428 HB2 LEU 528 HB2 LEU 528 -12.674 -4.003 1.515 429 HB3 LEU 528 HB1 LEU 528 -12.026 -3.017 2.804 430 HG LEU 528 HG LEU 528 -10.767 -3.302 0.076 431 HD11 LEU 528 HD11 LEU 528 -12.384 -1.046 1.245 432 HD12 LEU 528 HD12 LEU 528 -12.929 -2.158 -0.013 433 HD13 LEU 528 HD13 LEU 528 -11.590 -1.053 -0.329 434 HD21 LEU 528 HD21 LEU 528 -9.408 -1.393 0.770 435 HD22 LEU 528 HD22 LEU 528 -9.155 -2.775 1.833 436 HD23 LEU 528 HD23 LEU 528 -10.165 -1.428 2.363 437 H GLU 529 HN GLU 529 -12.014 -7.088 2.779 438 HA GLU 529 HA GLU 529 -12.672 -6.480 5.581 439 HB2 GLU 529 HB2 GLU 529 -14.021 -8.270 3.581 440 HB3 GLU 529 HB1 GLU 529 -14.347 -8.380 5.306 441 HG2 GLU 529 HG2 GLU 529 -14.939 -5.936 5.221 442 HG3 GLU 529 HG1 GLU 529 -14.866 -6.073 3.466 443 H ARG 530 HN ARG 530 -11.210 -8.865 3.451 444 HA ARG 530 HA ARG 530 -10.646 -10.599 5.726 445 HB2 ARG 530 HB2 ARG 530 -10.493 -10.919 2.754 446 HB3 ARG 530 HB1 ARG 530 -9.667 -12.041 3.818 447 HG2 ARG 530 HG2 ARG 530 -12.565 -11.452 4.216 448 HG3 ARG 530 HG1 ARG 530 -12.046 -12.593 2.978 449 HD2 ARG 530 HD2 ARG 530 -12.584 -13.742 5.064 450 HD3 ARG 530 HD1 ARG 530 -10.879 -13.906 4.662 451 HE ARG 530 HE ARG 530 -11.840 -11.946 6.643 452 HH11 ARG 530 HH11 ARG 530 -9.681 -14.540 5.698 453 HH12 ARG 530 HH12 ARG 530 -8.721 -14.437 7.138 454 HH21 ARG 530 HH21 ARG 530 -10.573 -11.799 8.528 455 HH22 ARG 530 HH22 ARG 530 -9.228 -12.874 8.749 456 H ASP 531 HN ASP 531 -8.911 -8.647 3.324 457 HA ASP 531 HA ASP 531 -6.361 -9.665 4.210 458 HB2 ASP 531 HB2 ASP 531 -7.201 -7.693 2.123 459 HB3 ASP 531 HB1 ASP 531 -5.528 -7.715 2.671 460 H VAL 532 HN VAL 532 -4.697 -8.453 5.084 461 HA VAL 532 HA VAL 532 -5.442 -5.963 6.478 462 HB VAL 532 HB VAL 532 -3.807 -8.277 7.567 463 HG11 VAL 532 HG11 VAL 532 -4.354 -5.615 8.873 464 HG12 VAL 532 HG12 VAL 532 -2.806 -6.122 8.198 465 HG13 VAL 532 HG13 VAL 532 -3.484 -6.972 9.587 466 HG21 VAL 532 HG21 VAL 532 -6.191 -8.643 7.727 467 HG22 VAL 532 HG22 VAL 532 -6.407 -7.060 8.476 468 HG23 VAL 532 HG23 VAL 532 -5.523 -8.327 9.328 469 HA PRO 533 HA PRO 533 -2.111 -4.189 4.207 470 HB2 PRO 533 HB2 PRO 533 -1.569 -2.794 6.801 471 HB3 PRO 533 HB1 PRO 533 -1.693 -2.120 5.170 472 HG2 PRO 533 HG2 PRO 533 -3.731 -1.851 6.815 473 HG3 PRO 533 HG1 PRO 533 -4.032 -2.323 5.135 474 HD2 PRO 533 HD2 PRO 533 -4.015 -4.001 7.613 475 HD3 PRO 533 HD1 PRO 533 -5.132 -4.047 6.235 476 H GLU 534 HN GLU 534 -1.271 -4.931 7.598 477 HA GLU 534 HA GLU 534 1.442 -5.420 7.163 478 HB2 GLU 534 HB2 GLU 534 -0.462 -6.340 9.292 479 HB3 GLU 534 HB1 GLU 534 1.237 -6.780 9.304 480 HG2 GLU 534 HG2 GLU 534 1.167 -4.926 10.664 481 HG3 GLU 534 HG1 GLU 534 1.688 -4.266 9.126 482 H ASP 535 HN ASP 535 -1.355 -7.491 6.775 483 HA ASP 535 HA ASP 535 0.059 -9.960 6.656 484 HB2 ASP 535 HB2 ASP 535 -2.419 -9.710 7.088 485 HB3 ASP 535 HB1 ASP 535 -2.612 -9.332 5.383 486 H VAL 536 HN VAL 536 -1.132 -7.675 4.249 487 HA VAL 536 HA VAL 536 -0.332 -9.122 1.967 488 HB VAL 536 HB VAL 536 -0.692 -6.141 2.322 489 HG11 VAL 536 HG11 VAL 536 -0.569 -7.756 -0.224 490 HG12 VAL 536 HG12 VAL 536 0.702 -6.687 0.369 491 HG13 VAL 536 HG13 VAL 536 -0.865 -6.021 -0.097 492 HG21 VAL 536 HG21 VAL 536 -2.697 -7.468 2.800 493 HG22 VAL 536 HG22 VAL 536 -2.552 -8.240 1.218 494 HG23 VAL 536 HG23 VAL 536 -2.882 -6.513 1.325 495 H ALA 537 HN ALA 537 1.311 -6.686 3.946 496 HA ALA 537 HA ALA 537 3.641 -6.524 2.372 497 HB1 ALA 537 HB1 ALA 537 4.697 -5.488 4.258 498 HB2 ALA 537 HB2 ALA 537 3.468 -6.127 5.353 499 HB3 ALA 537 HB3 ALA 537 3.034 -4.909 4.153 500 H GLN 538 HN GLN 538 2.559 -8.875 4.729 501 HA GLN 538 HA GLN 538 5.047 -10.220 5.028 502 HB2 GLN 538 HB2 GLN 538 2.187 -10.979 5.514 503 HB3 GLN 538 HB1 GLN 538 3.428 -12.224 5.536 504 HG2 GLN 538 HG2 GLN 538 3.694 -9.749 7.189 505 HG3 GLN 538 HG1 GLN 538 2.737 -11.119 7.743 506 HE21 GLN 538 HE21 GLN 538 5.570 -11.639 5.793 507 HE22 GLN 538 HE22 GLN 538 6.567 -12.256 7.057 508 H GLU 539 HN GLU 539 2.250 -10.721 2.908 509 HA GLU 539 HA GLU 539 3.216 -12.833 1.367 510 HB2 GLU 539 HB2 GLU 539 1.629 -10.446 0.378 511 HB3 GLU 539 HB1 GLU 539 1.732 -12.016 -0.402 512 HG2 GLU 539 HG2 GLU 539 0.586 -11.619 2.344 513 HG3 GLU 539 HG1 GLU 539 -0.376 -11.543 0.868 514 H MET 540 HN MET 540 3.641 -9.365 1.018 515 HA MET 540 HA MET 540 5.132 -9.259 -1.298 516 HB2 MET 540 HB2 MET 540 5.145 -7.541 1.161 517 HB3 MET 540 HB1 MET 540 6.099 -7.155 -0.266 518 HG2 MET 540 HG2 MET 540 4.093 -7.095 -1.619 519 HG3 MET 540 HG1 MET 540 3.121 -7.534 -0.219 520 HE1 MET 540 HE1 MET 540 1.642 -5.430 -1.028 521 HE2 MET 540 HE2 MET 540 2.843 -5.098 -2.275 522 HE3 MET 540 HE3 MET 540 2.303 -3.802 -1.203 523 H VAL 541 HN VAL 541 6.255 -9.727 2.032 524 HA VAL 541 HA VAL 541 9.015 -9.792 1.362 525 HB VAL 541 HB VAL 541 7.642 -10.943 3.799 526 HG11 VAL 541 HG11 VAL 541 9.833 -10.753 4.876 527 HG12 VAL 541 HG12 VAL 541 10.537 -10.195 3.360 528 HG13 VAL 541 HG13 VAL 541 9.899 -11.835 3.483 529 HG21 VAL 541 HG21 VAL 541 8.928 -8.245 3.392 530 HG22 VAL 541 HG22 VAL 541 8.218 -8.845 4.890 531 HG23 VAL 541 HG23 VAL 541 7.193 -8.554 3.483 532 H GLU 542 HN GLU 542 6.562 -12.323 1.843 533 HA GLU 542 HA GLU 542 8.428 -14.458 1.658 534 HB2 GLU 542 HB2 GLU 542 5.432 -14.448 1.309 535 HB3 GLU 542 HB1 GLU 542 6.424 -15.895 1.438 536 HG2 GLU 542 HG2 GLU 542 7.196 -14.991 3.676 537 HG3 GLU 542 HG1 GLU 542 5.894 -13.812 3.532 538 H SER 543 HN SER 543 6.283 -12.898 -0.683 539 HA SER 543 HA SER 543 6.845 -14.795 -2.739 540 HB2 SER 543 HB2 SER 543 5.630 -12.030 -2.950 541 HB3 SER 543 HB1 SER 543 5.593 -13.272 -4.203 542 HG SER 543 HG SER 543 4.680 -14.195 -1.805 543 H GLY 544 HN GLY 544 8.596 -12.175 -1.490 544 HA2 GLY 544 HA2 GLY 544 10.867 -11.870 -2.067 545 HA3 GLY 544 HA1 GLY 544 10.532 -12.547 -3.650 546 H TYR 545 HN TYR 545 8.525 -10.040 -2.293 547 HA TYR 545 HA TYR 545 9.523 -8.185 -4.336 548 HB2 TYR 545 HB2 TYR 545 7.003 -8.182 -2.668 549 HB3 TYR 545 HB1 TYR 545 7.462 -6.880 -3.756 550 HD1 TYR 545 HD2 TYR 545 8.039 -7.699 -6.225 551 HD2 TYR 545 HD1 TYR 545 5.547 -9.785 -3.479 552 HE1 TYR 545 HE2 TYR 545 6.955 -8.860 -8.100 553 HE2 TYR 545 HE1 TYR 545 4.457 -10.954 -5.349 554 HH TYR 545 HH TYR 545 5.714 -10.988 -8.475 555 H VAL 546 HN VAL 546 8.887 -8.479 -0.893 556 HA VAL 546 HA VAL 546 10.316 -5.945 -0.444 557 HB VAL 546 HB VAL 546 7.946 -7.068 1.071 558 HG11 VAL 546 HG11 VAL 546 8.033 -5.111 2.470 559 HG12 VAL 546 HG12 VAL 546 9.458 -4.524 1.613 560 HG13 VAL 546 HG13 VAL 546 9.556 -5.991 2.587 561 HG21 VAL 546 HG21 VAL 546 6.753 -5.144 0.263 562 HG22 VAL 546 HG22 VAL 546 7.475 -5.976 -1.114 563 HG23 VAL 546 HG23 VAL 546 8.213 -4.504 -0.488 564 H CYS 547 HN CYS 547 11.694 -5.820 1.281 565 HA CYS 547 HA CYS 547 12.726 -8.307 2.344 566 HB2 CYS 547 HB2 CYS 547 14.316 -6.587 1.708 567 HB3 CYS 547 HB1 CYS 547 13.524 -5.408 2.744 568 HG CYS 547 HG CYS 547 15.816 -5.941 4.066 569 H GLU 548 HN GLU 548 12.693 -8.893 4.495 570 HA GLU 548 HA GLU 548 10.264 -8.497 5.818 571 HB2 GLU 548 HB2 GLU 548 11.329 -9.750 7.683 572 HB3 GLU 548 HB1 GLU 548 11.526 -10.524 6.116 573 HG2 GLU 548 HG2 GLU 548 13.781 -9.541 5.962 574 HG3 GLU 548 HG1 GLU 548 13.582 -8.902 7.590 575 H GLY 549 HN GLY 549 13.232 -6.726 6.021 576 HA2 GLY 549 HA2 GLY 549 12.685 -5.491 8.550 577 HA3 GLY 549 HA1 GLY 549 13.899 -4.986 7.383 578 H ASP 550 HN ASP 550 11.635 -4.964 5.323 579 HA ASP 550 HA ASP 550 10.800 -2.221 5.930 580 HB2 ASP 550 HB2 ASP 550 10.729 -3.708 3.298 581 HB3 ASP 550 HB1 ASP 550 10.371 -2.004 3.538 582 H HIS 551 HN HIS 551 9.637 -5.112 6.509 583 HA HIS 551 HA HIS 551 7.117 -5.359 5.388 584 HB2 HIS 551 HB2 HIS 551 8.060 -7.107 6.785 585 HB3 HIS 551 HB1 HIS 551 8.058 -6.048 8.190 586 HD1 HIS 551 HD1 HIS 551 5.958 -5.991 9.593 587 HD2 HIS 551 HD2 HIS 551 5.432 -7.965 5.973 588 HE1 HIS 551 HE1 HIS 551 3.671 -7.011 9.708 589 HE2 HIS 551 HE2 HIS 551 3.293 -8.014 7.432 590 H LYS 552 HN LYS 552 8.077 -3.577 8.300 591 HA LYS 552 HA LYS 552 5.508 -2.641 9.005 592 HB2 LYS 552 HB2 LYS 552 8.184 -1.361 9.583 593 HB3 LYS 552 HB1 LYS 552 6.688 -1.086 10.461 594 HG2 LYS 552 HG2 LYS 552 6.700 -3.367 11.266 595 HG3 LYS 552 HG1 LYS 552 8.145 -3.718 10.316 596 HD2 LYS 552 HD2 LYS 552 7.960 -1.709 12.562 597 HD3 LYS 552 HD1 LYS 552 8.678 -3.315 12.678 598 HE2 LYS 552 HE2 LYS 552 10.318 -2.675 10.949 599 HE3 LYS 552 HE1 LYS 552 9.620 -1.059 10.914 600 HZ1 LYS 552 HZ1 LYS 552 10.211 -0.828 13.269 601 HZ2 LYS 552 HZ2 LYS 552 11.566 -1.074 12.290 602 HZ3 LYS 552 HZ3 LYS 552 10.964 -2.344 13.227 603 H THR 553 HN THR 553 8.094 -1.323 7.049 604 HA THR 553 HA THR 553 7.086 1.248 6.612 605 HB THR 553 HB THR 553 8.788 -0.402 4.735 606 HG1 THR 553 HG1 THR 553 9.323 0.802 7.203 607 HG21 THR 553 HG21 THR 553 9.677 1.723 4.003 608 HG22 THR 553 HG22 THR 553 8.677 2.575 5.176 609 HG23 THR 553 HG23 THR 553 7.922 1.729 3.826 610 H MET 554 HN MET 554 6.793 -1.713 4.664 611 HA MET 554 HA MET 554 5.323 -0.513 2.569 612 HB2 MET 554 HB2 MET 554 5.503 -3.407 3.402 613 HB3 MET 554 HB1 MET 554 4.833 -2.834 1.883 614 HG2 MET 554 HG2 MET 554 7.668 -2.539 2.817 615 HG3 MET 554 HG1 MET 554 7.074 -3.615 1.554 616 HE1 MET 554 HE1 MET 554 9.098 -2.553 0.106 617 HE2 MET 554 HE2 MET 554 9.475 -1.394 1.381 618 HE3 MET 554 HE3 MET 554 9.216 -0.834 -0.270 619 H ALA 555 HN ALA 555 4.344 -2.403 5.389 620 HA ALA 555 HA ALA 555 1.606 -2.547 4.824 621 HB1 ALA 555 HB1 ALA 555 2.917 -2.383 7.543 622 HB2 ALA 555 HB2 ALA 555 2.759 -3.855 6.583 623 HB3 ALA 555 HB3 ALA 555 1.317 -3.036 7.186 624 H LYS 556 HN LYS 556 3.548 -0.036 6.319 625 HA LYS 556 HA LYS 556 1.391 1.565 7.215 626 HB2 LYS 556 HB2 LYS 556 3.762 1.703 8.019 627 HB3 LYS 556 HB1 LYS 556 4.194 2.437 6.480 628 HG2 LYS 556 HG2 LYS 556 3.915 4.135 8.172 629 HG3 LYS 556 HG1 LYS 556 2.656 4.283 6.944 630 HD2 LYS 556 HD2 LYS 556 1.055 3.198 8.381 631 HD3 LYS 556 HD1 LYS 556 2.303 2.883 9.591 632 HE2 LYS 556 HE2 LYS 556 0.961 4.782 10.260 633 HE3 LYS 556 HE1 LYS 556 2.602 5.301 9.888 634 HZ1 LYS 556 HZ1 LYS 556 0.867 6.778 8.988 635 HZ2 LYS 556 HZ2 LYS 556 0.318 5.517 8.007 636 HZ3 LYS 556 HZ3 LYS 556 1.874 6.145 7.787 637 H ALA 557 HN ALA 557 3.245 1.374 4.227 638 HA ALA 557 HA ALA 557 2.072 3.594 2.926 639 HB1 ALA 557 HB1 ALA 557 2.920 2.626 0.873 640 HB2 ALA 557 HB2 ALA 557 3.109 1.054 1.648 641 HB3 ALA 557 HB3 ALA 557 4.132 2.405 2.136 642 H ILE 558 HN ILE 558 1.258 0.181 3.100 643 HA ILE 558 HA ILE 558 -0.949 0.211 1.356 644 HB ILE 558 HB ILE 558 -0.444 -1.620 3.708 645 HG12 ILE 558 HG12 ILE 558 0.351 -1.941 0.817 646 HG13 ILE 558 HG11 ILE 558 1.441 -1.505 2.114 647 HG21 ILE 558 HG21 ILE 558 -2.208 -1.879 1.287 648 HG22 ILE 558 HG22 ILE 558 -2.688 -1.900 2.987 649 HG23 ILE 558 HG23 ILE 558 -1.754 -3.239 2.313 650 HD11 ILE 558 HD11 ILE 558 1.001 -3.658 3.187 651 HD12 ILE 558 HD12 ILE 558 1.666 -3.837 1.565 652 HD13 ILE 558 HD13 ILE 558 -0.057 -4.093 1.844 653 H LYS 559 HN LYS 559 -0.749 0.444 4.896 654 HA LYS 559 HA LYS 559 -3.533 0.592 5.323 655 HB2 LYS 559 HB2 LYS 559 -1.758 0.025 7.032 656 HB3 LYS 559 HB1 LYS 559 -1.395 1.740 7.116 657 HG2 LYS 559 HG2 LYS 559 -3.503 2.260 8.020 658 HG3 LYS 559 HG1 LYS 559 -4.156 0.671 7.616 659 HD2 LYS 559 HD2 LYS 559 -1.939 1.162 9.603 660 HD3 LYS 559 HD1 LYS 559 -3.638 0.946 10.029 661 HE2 LYS 559 HE2 LYS 559 -3.606 -1.281 9.017 662 HE3 LYS 559 HE1 LYS 559 -1.914 -1.066 8.585 663 HZ1 LYS 559 HZ1 LYS 559 -1.463 -0.799 11.002 664 HZ2 LYS 559 HZ2 LYS 559 -1.986 -2.344 10.554 665 HZ3 LYS 559 HZ3 LYS 559 -3.058 -1.271 11.307 666 H ASP 560 HN ASP 560 -1.089 3.038 4.679 667 HA ASP 560 HA ASP 560 -2.502 5.336 5.352 668 HB2 ASP 560 HB2 ASP 560 -0.124 5.283 4.652 669 HB3 ASP 560 HB1 ASP 560 -0.650 4.977 3.004 670 H ARG 561 HN ARG 561 -2.553 3.432 2.384 671 HA ARG 561 HA ARG 561 -4.460 5.126 1.068 672 HB2 ARG 561 HB2 ARG 561 -2.819 3.753 -0.165 673 HB3 ARG 561 HB1 ARG 561 -3.629 2.301 0.410 674 HG2 ARG 561 HG2 ARG 561 -4.225 3.079 -1.918 675 HG3 ARG 561 HG1 ARG 561 -5.566 2.763 -0.816 676 HD2 ARG 561 HD2 ARG 561 -6.014 4.817 -1.954 677 HD3 ARG 561 HD1 ARG 561 -5.637 5.189 -0.295 678 HE ARG 561 HE ARG 561 -3.282 5.358 -1.796 679 HH11 ARG 561 HH11 ARG 561 -6.354 7.007 -1.467 680 HH12 ARG 561 HH12 ARG 561 -5.725 8.543 -1.965 681 HH21 ARG 561 HH21 ARG 561 -2.453 7.384 -2.453 682 HH22 ARG 561 HH22 ARG 561 -3.503 8.761 -2.528 683 H VAL 562 HN VAL 562 -4.611 1.928 2.645 684 HA VAL 562 HA VAL 562 -7.285 1.404 2.021 685 HB VAL 562 HB VAL 562 -5.695 0.392 4.382 686 HG11 VAL 562 HG11 VAL 562 -8.191 -0.658 3.060 687 HG12 VAL 562 HG12 VAL 562 -8.059 0.011 4.687 688 HG13 VAL 562 HG13 VAL 562 -7.260 -1.511 4.294 689 HG21 VAL 562 HG21 VAL 562 -6.102 -0.858 1.665 690 HG22 VAL 562 HG22 VAL 562 -5.128 -1.497 2.991 691 HG23 VAL 562 HG23 VAL 562 -4.640 -0.010 2.172 692 H SER 563 HN SER 563 -5.842 3.114 4.749 693 HA SER 563 HA SER 563 -8.156 3.405 6.310 694 HB2 SER 563 HB2 SER 563 -5.818 3.954 7.037 695 HB3 SER 563 HB1 SER 563 -5.894 5.401 6.034 696 HG SER 563 HG SER 563 -6.885 6.338 7.614 697 H LEU 564 HN LEU 564 -6.825 5.386 3.695 698 HA LEU 564 HA LEU 564 -8.829 7.386 3.716 699 HB2 LEU 564 HB2 LEU 564 -7.116 6.432 1.420 700 HB3 LEU 564 HB1 LEU 564 -8.022 7.929 1.458 701 HG LEU 564 HG LEU 564 -5.722 7.258 3.292 702 HD11 LEU 564 HD11 LEU 564 -4.451 8.853 1.980 703 HD12 LEU 564 HD12 LEU 564 -5.833 9.113 0.918 704 HD13 LEU 564 HD13 LEU 564 -5.030 7.544 0.950 705 HD21 LEU 564 HD21 LEU 564 -7.353 8.778 4.286 706 HD22 LEU 564 HD22 LEU 564 -7.250 9.822 2.870 707 HD23 LEU 564 HD23 LEU 564 -5.847 9.611 3.914 708 H ILE 565 HN ILE 565 -8.402 4.424 1.848 709 HA ILE 565 HA ILE 565 -10.570 4.540 0.154 710 HB ILE 565 HB ILE 565 -9.263 2.187 1.489 711 HG12 ILE 565 HG12 ILE 565 -9.100 3.263 -1.328 712 HG13 ILE 565 HG11 ILE 565 -7.936 3.610 -0.054 713 HG21 ILE 565 HG21 ILE 565 -11.534 1.543 0.861 714 HG22 ILE 565 HG22 ILE 565 -10.339 0.758 -0.172 715 HG23 ILE 565 HG23 ILE 565 -11.256 2.140 -0.775 716 HD11 ILE 565 HD11 ILE 565 -7.324 1.291 0.064 717 HD12 ILE 565 HD12 ILE 565 -7.184 1.867 -1.594 718 HD13 ILE 565 HD13 ILE 565 -8.561 0.878 -1.118 719 H LYS 566 HN LYS 566 -10.475 2.897 3.307 720 HA LYS 566 HA LYS 566 -13.211 2.285 3.405 721 HB2 LYS 566 HB2 LYS 566 -11.232 2.699 5.652 722 HB3 LYS 566 HB1 LYS 566 -12.839 2.019 5.859 723 HG2 LYS 566 HG2 LYS 566 -12.256 0.154 4.406 724 HG3 LYS 566 HG1 LYS 566 -10.657 0.848 4.152 725 HD2 LYS 566 HD2 LYS 566 -10.112 0.580 6.482 726 HD3 LYS 566 HD1 LYS 566 -11.754 0.051 6.845 727 HE2 LYS 566 HE2 LYS 566 -11.417 -1.921 5.421 728 HE3 LYS 566 HE1 LYS 566 -9.768 -1.394 5.092 729 HZ1 LYS 566 HZ1 LYS 566 -9.272 -1.602 7.448 730 HZ2 LYS 566 HZ2 LYS 566 -9.835 -3.068 6.829 731 HZ3 LYS 566 HZ3 LYS 566 -10.857 -2.102 7.764 732 H ARG 567 HN ARG 567 -11.414 5.123 4.483 733 HA ARG 567 HA ARG 567 -13.484 6.388 5.890 734 HB2 ARG 567 HB2 ARG 567 -11.071 6.995 5.989 735 HB3 ARG 567 HB1 ARG 567 -11.204 7.668 4.373 736 HG2 ARG 567 HG2 ARG 567 -11.289 9.419 6.016 737 HG3 ARG 567 HG1 ARG 567 -12.844 9.284 5.195 738 HD2 ARG 567 HD2 ARG 567 -13.745 8.033 7.075 739 HD3 ARG 567 HD1 ARG 567 -12.183 8.103 7.887 740 HE ARG 567 HE ARG 567 -12.973 10.721 7.354 741 HH11 ARG 567 HH11 ARG 567 -14.028 8.004 9.284 742 HH12 ARG 567 HH12 ARG 567 -14.738 8.994 10.521 743 HH21 ARG 567 HH21 ARG 567 -13.908 12.029 8.968 744 HH22 ARG 567 HH22 ARG 567 -14.681 11.288 10.335 745 H LYS 568 HN LYS 568 -12.465 6.642 2.490 746 HA LYS 568 HA LYS 568 -14.382 8.573 1.735 747 HB2 LYS 568 HB2 LYS 568 -12.919 6.483 0.121 748 HB3 LYS 568 HB1 LYS 568 -13.961 7.702 -0.597 749 HG2 LYS 568 HG2 LYS 568 -11.518 8.281 1.062 750 HG3 LYS 568 HG1 LYS 568 -11.577 8.286 -0.702 751 HD2 LYS 568 HD2 LYS 568 -13.252 10.072 -0.639 752 HD3 LYS 568 HD1 LYS 568 -13.191 10.065 1.125 753 HE2 LYS 568 HE2 LYS 568 -10.835 10.692 1.049 754 HE3 LYS 568 HE1 LYS 568 -10.885 10.682 -0.712 755 HZ1 LYS 568 HZ1 LYS 568 -12.442 12.483 1.062 756 HZ2 LYS 568 HZ2 LYS 568 -12.528 12.464 -0.627 757 HZ3 LYS 568 HZ3 LYS 568 -11.093 12.920 0.139 758 H ARG 569 HN ARG 569 -14.514 5.120 2.083 759 HA ARG 569 HA ARG 569 -17.014 4.790 0.738 760 HB2 ARG 569 HB2 ARG 569 -15.458 3.017 2.595 761 HB3 ARG 569 HB1 ARG 569 -16.983 2.543 1.859 762 HG2 ARG 569 HG2 ARG 569 -15.869 3.114 -0.369 763 HG3 ARG 569 HG1 ARG 569 -14.355 3.088 0.538 764 HD2 ARG 569 HD2 ARG 569 -14.855 0.820 1.282 765 HD3 ARG 569 HD1 ARG 569 -16.355 0.854 0.361 766 HE ARG 569 HE ARG 569 -14.006 1.393 -1.218 767 HH11 ARG 569 HH11 ARG 569 -16.090 -1.118 0.080 768 HH12 ARG 569 HH12 ARG 569 -15.647 -2.275 -1.134 769 HH21 ARG 569 HH21 ARG 569 -13.430 -0.103 -2.795 770 HH22 ARG 569 HH22 ARG 569 -14.132 -1.706 -2.775 771 H GLU 570 HN GLU 570 -16.072 5.796 3.879 772 HA GLU 570 HA GLU 570 -18.546 5.123 5.171 773 HB2 GLU 570 HB2 GLU 570 -16.220 6.839 6.024 774 HB3 GLU 570 HB1 GLU 570 -17.632 6.548 7.031 775 HG2 GLU 570 HG2 GLU 570 -15.805 4.413 5.961 776 HG3 GLU 570 HG1 GLU 570 -15.731 5.092 7.585 777 H GLN 571 HN GLN 571 -19.323 6.366 3.006 778 HA GLN 571 HA GLN 571 -20.436 8.876 4.021 779 HB2 GLN 571 HB2 GLN 571 -19.315 8.488 1.236 780 HB3 GLN 571 HB1 GLN 571 -20.239 9.885 1.763 781 HG2 GLN 571 HG2 GLN 571 -18.484 10.420 3.386 782 HG3 GLN 571 HG1 GLN 571 -17.555 9.031 2.822 783 HE21 GLN 571 HE21 GLN 571 -16.612 9.091 0.775 784 HE22 GLN 571 HE22 GLN 571 -16.378 10.581 -0.077 785 H ARG 572 HN ARG 572 -22.573 8.992 3.712 786 HA ARG 572 HA ARG 572 -23.837 6.790 2.259 787 HB2 ARG 572 HB2 ARG 572 -24.800 8.681 4.388 788 HB3 ARG 572 HB1 ARG 572 -25.938 7.761 3.420 789 HG2 ARG 572 HG2 ARG 572 -25.552 6.634 5.505 790 HG3 ARG 572 HG1 ARG 572 -24.873 5.679 4.189 791 HD2 ARG 572 HD2 ARG 572 -23.386 5.729 6.130 792 HD3 ARG 572 HD1 ARG 572 -22.644 6.492 4.725 793 HE ARG 572 HE ARG 572 -23.860 8.518 6.158 794 HH11 ARG 572 HH11 ARG 572 -21.351 6.146 6.743 795 HH12 ARG 572 HH12 ARG 572 -20.476 7.160 7.844 796 HH21 ARG 572 HH21 ARG 572 -22.710 9.859 7.587 797 HH22 ARG 572 HH22 ARG 572 -21.249 9.281 8.321 Start of MODEL 20 1 H1 GLY 475 HT1 GLY 475 -2.560 21.882 5.789 2 H2 GLY 475 HT2 GLY 475 -1.079 22.591 5.390 3 H3 GLY 475 HT3 GLY 475 -1.151 21.417 6.600 4 HA2 GLY 475 HA1 GLY 475 -1.795 19.746 4.988 5 HA3 GLY 475 HA2 GLY 475 -1.728 20.969 3.726 6 H ALA 476 HN ALA 476 -0.211 18.493 3.932 7 HA ALA 476 HA ALA 476 2.466 19.676 3.738 8 HB1 ALA 476 HB1 ALA 476 3.475 17.854 4.976 9 HB2 ALA 476 HB2 ALA 476 1.899 17.106 5.218 10 HB3 ALA 476 HB3 ALA 476 2.265 18.655 5.977 11 H MET 477 HN MET 477 0.142 18.273 2.107 12 HA MET 477 HA MET 477 -0.053 17.049 0.213 13 HB2 MET 477 HB2 MET 477 1.916 18.089 -0.686 14 HB3 MET 477 HB1 MET 477 2.964 17.063 0.282 15 HG2 MET 477 HG2 MET 477 2.919 16.371 -2.055 16 HG3 MET 477 HG1 MET 477 2.289 15.118 -0.989 17 HE1 MET 477 HE1 MET 477 1.864 15.084 -4.143 18 HE2 MET 477 HE2 MET 477 0.172 14.598 -4.228 19 HE3 MET 477 HE3 MET 477 1.247 13.848 -3.048 20 H ASP 478 HN ASP 478 2.345 15.722 2.459 21 HA ASP 478 HA ASP 478 1.572 13.006 1.982 22 HB2 ASP 478 HB2 ASP 478 2.885 12.514 4.020 23 HB3 ASP 478 HB1 ASP 478 3.789 13.470 2.855 24 HA PRO 479 HA PRO 479 -2.173 12.922 4.387 25 HB2 PRO 479 HB2 PRO 479 -1.413 10.067 4.662 26 HB3 PRO 479 HB1 PRO 479 -2.926 10.770 4.077 27 HG2 PRO 479 HG2 PRO 479 -1.206 9.669 2.380 28 HG3 PRO 479 HG1 PRO 479 -2.061 11.165 1.953 29 HD2 PRO 479 HD2 PRO 479 0.758 10.801 2.893 30 HD3 PRO 479 HD1 PRO 479 0.123 11.870 1.629 31 H GLN 480 HN GLN 480 0.813 11.424 5.387 32 HA GLN 480 HA GLN 480 0.847 12.664 7.908 33 HB2 GLN 480 HB2 GLN 480 -0.907 10.956 8.388 34 HB3 GLN 480 HB1 GLN 480 0.261 9.700 8.006 35 HG2 GLN 480 HG2 GLN 480 1.668 10.426 9.853 36 HG3 GLN 480 HG1 GLN 480 0.523 11.713 10.227 37 HE21 GLN 480 HE21 GLN 480 1.461 9.467 11.842 38 HE22 GLN 480 HE22 GLN 480 0.042 8.595 12.315 39 H GLU 481 HN GLU 481 2.867 13.164 6.986 40 HA GLU 481 HA GLU 481 5.130 13.034 7.108 41 HB2 GLU 481 HB2 GLU 481 5.110 11.716 9.106 42 HB3 GLU 481 HB1 GLU 481 4.647 10.270 8.219 43 HG2 GLU 481 HG2 GLU 481 6.799 10.237 7.100 44 HG3 GLU 481 HG1 GLU 481 7.263 11.728 7.915 45 H GLU 482 HN GLU 482 6.420 12.912 5.428 46 HA GLU 482 HA GLU 482 5.727 11.437 3.106 47 HB2 GLU 482 HB2 GLU 482 8.238 12.947 3.842 48 HB3 GLU 482 HB1 GLU 482 7.954 12.235 2.260 49 HG2 GLU 482 HG2 GLU 482 6.064 13.682 1.900 50 HG3 GLU 482 HG1 GLU 482 6.215 14.332 3.533 51 H THR 483 HN THR 483 5.641 9.287 3.799 52 HA THR 483 HA THR 483 8.093 7.982 4.643 53 HB THR 483 HB THR 483 5.520 6.609 3.851 54 HG1 THR 483 HG1 THR 483 5.273 8.378 5.486 55 HG21 THR 483 HG21 THR 483 6.257 4.935 5.479 56 HG22 THR 483 HG22 THR 483 7.679 5.910 5.849 57 HG23 THR 483 HG23 THR 483 7.493 5.195 4.248 58 H GLY 484 HN GLY 484 9.151 6.364 3.339 59 HA2 GLY 484 HA2 GLY 484 9.346 7.221 0.612 60 HA3 GLY 484 HA1 GLY 484 10.280 5.942 1.370 61 H VAL 485 HN VAL 485 6.778 6.070 1.197 62 HA VAL 485 HA VAL 485 6.659 4.144 -0.969 63 HB VAL 485 HB VAL 485 5.006 2.802 0.519 64 HG11 VAL 485 HG11 VAL 485 7.079 1.903 -0.417 65 HG12 VAL 485 HG12 VAL 485 6.753 1.281 1.203 66 HG13 VAL 485 HG13 VAL 485 7.969 2.540 0.968 67 HG21 VAL 485 HG21 VAL 485 4.993 4.266 2.409 68 HG22 VAL 485 HG22 VAL 485 6.742 4.125 2.582 69 HG23 VAL 485 HG23 VAL 485 5.709 2.726 2.889 70 H ARG 486 HN ARG 486 4.535 3.906 -1.795 71 HA ARG 486 HA ARG 486 2.321 5.297 -0.650 72 HB2 ARG 486 HB2 ARG 486 3.446 7.216 -1.587 73 HB3 ARG 486 HB1 ARG 486 3.582 6.430 -3.151 74 HG2 ARG 486 HG2 ARG 486 1.802 8.156 -3.027 75 HG3 ARG 486 HG1 ARG 486 1.217 6.559 -3.492 76 HD2 ARG 486 HD2 ARG 486 -0.229 7.746 -1.840 77 HD3 ARG 486 HD1 ARG 486 0.339 6.161 -1.306 78 HE ARG 486 HE ARG 486 2.127 8.118 -0.379 79 HH11 ARG 486 HH11 ARG 486 -1.221 7.214 0.094 80 HH12 ARG 486 HH12 ARG 486 -1.214 7.575 1.801 81 HH21 ARG 486 HH21 ARG 486 2.127 8.633 1.855 82 HH22 ARG 486 HH22 ARG 486 0.679 8.401 2.786 83 H VAL 487 HN VAL 487 0.468 4.467 -1.338 84 HA VAL 487 HA VAL 487 0.658 2.416 -3.427 85 HB VAL 487 HB VAL 487 -1.322 2.613 -1.157 86 HG11 VAL 487 HG11 VAL 487 -1.959 0.349 -1.786 87 HG12 VAL 487 HG12 VAL 487 -0.812 0.387 -3.127 88 HG13 VAL 487 HG13 VAL 487 -2.209 1.463 -3.133 89 HG21 VAL 487 HG21 VAL 487 0.929 2.179 -0.378 90 HG22 VAL 487 HG22 VAL 487 1.086 0.851 -1.532 91 HG23 VAL 487 HG23 VAL 487 -0.075 0.736 -0.207 92 H GLU 488 HN GLU 488 -0.581 2.489 -5.144 93 HA GLU 488 HA GLU 488 -2.561 4.672 -5.338 94 HB2 GLU 488 HB2 GLU 488 -0.897 3.424 -7.537 95 HB3 GLU 488 HB1 GLU 488 -2.072 4.714 -7.750 96 HG2 GLU 488 HG2 GLU 488 -0.698 6.146 -6.270 97 HG3 GLU 488 HG1 GLU 488 0.505 4.858 -6.204 98 H LEU 489 HN LEU 489 -4.339 4.291 -6.799 99 HA LEU 489 HA LEU 489 -5.355 1.574 -6.537 100 HB2 LEU 489 HB2 LEU 489 -6.658 4.143 -7.420 101 HB3 LEU 489 HB1 LEU 489 -7.482 2.599 -7.333 102 HG LEU 489 HG LEU 489 -6.186 3.861 -4.923 103 HD11 LEU 489 HD11 LEU 489 -7.847 5.401 -5.844 104 HD12 LEU 489 HD12 LEU 489 -8.405 4.688 -4.331 105 HD13 LEU 489 HD13 LEU 489 -9.041 4.105 -5.870 106 HD21 LEU 489 HD21 LEU 489 -7.686 2.393 -3.701 107 HD22 LEU 489 HD22 LEU 489 -6.714 1.446 -4.828 108 HD23 LEU 489 HD23 LEU 489 -8.393 1.816 -5.211 109 H ALA 490 HN ALA 490 -5.598 0.208 -8.212 110 HA ALA 490 HA ALA 490 -4.543 0.974 -10.794 111 HB1 ALA 490 HB1 ALA 490 -4.818 -1.365 -11.374 112 HB2 ALA 490 HB2 ALA 490 -5.741 -1.642 -9.898 113 HB3 ALA 490 HB3 ALA 490 -4.032 -1.215 -9.801 114 H GLU 491 HN GLU 491 -7.431 1.366 -9.338 115 HA GLU 491 HA GLU 491 -8.860 1.742 -11.803 116 HB2 GLU 491 HB2 GLU 491 -10.779 0.298 -11.040 117 HB3 GLU 491 HB1 GLU 491 -9.340 -0.584 -11.534 118 HG2 GLU 491 HG2 GLU 491 -8.720 -0.646 -9.080 119 HG3 GLU 491 HG1 GLU 491 -10.365 -0.103 -8.760 120 H GLU 492 HN GLU 492 -11.135 2.554 -11.281 121 HA GLU 492 HA GLU 492 -10.862 4.705 -9.422 122 HB2 GLU 492 HB2 GLU 492 -13.260 3.796 -11.023 123 HB3 GLU 492 HB1 GLU 492 -13.142 5.314 -10.144 124 HG2 GLU 492 HG2 GLU 492 -11.303 6.013 -11.581 125 HG3 GLU 492 HG1 GLU 492 -11.402 4.485 -12.456 126 H ASP 493 HN ASP 493 -11.216 4.565 -7.321 127 HA ASP 493 HA ASP 493 -12.575 2.262 -6.247 128 HB2 ASP 493 HB2 ASP 493 -10.552 2.984 -5.131 129 HB3 ASP 493 HB1 ASP 493 -11.244 4.581 -4.844 130 H ASP 494 HN ASP 494 -14.700 2.466 -6.731 131 HA ASP 494 HA ASP 494 -16.243 3.781 -4.789 132 HB2 ASP 494 HB2 ASP 494 -17.555 5.282 -6.116 133 HB3 ASP 494 HB1 ASP 494 -15.871 5.698 -6.400 134 H GLY 495 HN GLY 495 -18.055 2.653 -4.518 135 HA2 GLY 495 HA2 GLY 495 -19.906 1.428 -5.719 136 HA3 GLY 495 HA1 GLY 495 -18.609 0.545 -6.507 137 H GLU 496 HN GLU 496 -17.851 1.315 -3.338 138 HA GLU 496 HA GLU 496 -17.699 0.180 -1.386 139 HB2 GLU 496 HB2 GLU 496 -20.238 -1.141 -2.369 140 HB3 GLU 496 HB1 GLU 496 -19.609 -1.259 -0.730 141 HG2 GLU 496 HG2 GLU 496 -19.875 1.118 -0.412 142 HG3 GLU 496 HG1 GLU 496 -20.396 1.310 -2.084 143 H LYS 497 HN LYS 497 -16.161 -0.630 -3.415 144 HA LYS 497 HA LYS 497 -16.236 -3.396 -4.014 145 HB2 LYS 497 HB2 LYS 497 -13.829 -1.591 -4.109 146 HB3 LYS 497 HB1 LYS 497 -14.203 -2.958 -5.137 147 HG2 LYS 497 HG2 LYS 497 -15.766 -1.774 -6.378 148 HG3 LYS 497 HG1 LYS 497 -15.974 -0.554 -5.136 149 HD2 LYS 497 HD2 LYS 497 -14.731 0.344 -7.026 150 HD3 LYS 497 HD1 LYS 497 -13.732 0.304 -5.576 151 HE2 LYS 497 HE2 LYS 497 -12.400 -0.427 -7.419 152 HE3 LYS 497 HE1 LYS 497 -12.736 -1.825 -6.404 153 HZ1 LYS 497 HZ1 LYS 497 -12.956 -2.219 -8.826 154 HZ2 LYS 497 HZ2 LYS 497 -14.279 -1.160 -8.848 155 HZ3 LYS 497 HZ3 LYS 497 -14.354 -2.589 -7.947 156 H ILE 498 HN ILE 498 -15.780 -4.962 -2.577 157 HA ILE 498 HA ILE 498 -14.632 -4.328 -0.032 158 HB ILE 498 HB ILE 498 -15.447 -6.948 -1.258 159 HG12 ILE 498 HG12 ILE 498 -17.236 -5.299 -0.774 160 HG13 ILE 498 HG11 ILE 498 -17.351 -6.759 0.183 161 HG21 ILE 498 HG21 ILE 498 -15.247 -7.895 0.991 162 HG22 ILE 498 HG22 ILE 498 -14.573 -6.372 1.570 163 HG23 ILE 498 HG23 ILE 498 -13.688 -7.335 0.386 164 HD11 ILE 498 HD11 ILE 498 -17.833 -4.870 1.572 165 HD12 ILE 498 HD12 ILE 498 -16.318 -4.100 1.100 166 HD13 ILE 498 HD13 ILE 498 -16.292 -5.574 2.071 167 H ALA 499 HN ALA 499 -13.645 -5.807 -2.983 168 HA ALA 499 HA ALA 499 -10.903 -5.982 -1.931 169 HB1 ALA 499 HB1 ALA 499 -10.598 -7.841 -3.568 170 HB2 ALA 499 HB2 ALA 499 -12.345 -7.793 -3.837 171 HB3 ALA 499 HB3 ALA 499 -11.708 -8.185 -2.239 172 H ILE 500 HN ILE 500 -9.500 -4.736 -2.925 173 HA ILE 500 HA ILE 500 -10.252 -3.572 -5.523 174 HB ILE 500 HB ILE 500 -9.128 -1.541 -4.867 175 HG12 ILE 500 HG12 ILE 500 -8.491 -3.025 -2.311 176 HG13 ILE 500 HG11 ILE 500 -7.344 -2.402 -3.492 177 HG21 ILE 500 HG21 ILE 500 -11.467 -1.803 -4.266 178 HG22 ILE 500 HG22 ILE 500 -10.613 -0.815 -3.080 179 HG23 ILE 500 HG23 ILE 500 -10.990 -2.502 -2.718 180 HD11 ILE 500 HD11 ILE 500 -8.003 -0.125 -2.930 181 HD12 ILE 500 HD12 ILE 500 -7.409 -1.006 -1.521 182 HD13 ILE 500 HD13 ILE 500 -9.142 -0.754 -1.739 183 H LYS 501 HN LYS 501 -8.208 -2.510 -6.522 184 HA LYS 501 HA LYS 501 -5.961 -4.398 -6.316 185 HB2 LYS 501 HB2 LYS 501 -7.347 -4.666 -8.381 186 HB3 LYS 501 HB1 LYS 501 -6.928 -3.018 -8.826 187 HG2 LYS 501 HG2 LYS 501 -4.556 -3.664 -8.892 188 HG3 LYS 501 HG1 LYS 501 -5.016 -5.323 -8.506 189 HD2 LYS 501 HD2 LYS 501 -5.909 -3.774 -10.938 190 HD3 LYS 501 HD1 LYS 501 -4.646 -5.003 -10.916 191 HE2 LYS 501 HE2 LYS 501 -6.252 -6.696 -10.281 192 HE3 LYS 501 HE1 LYS 501 -7.524 -5.482 -10.150 193 HZ1 LYS 501 HZ1 LYS 501 -7.349 -5.067 -12.506 194 HZ2 LYS 501 HZ2 LYS 501 -7.640 -6.711 -12.237 195 HZ3 LYS 501 HZ3 LYS 501 -6.087 -6.184 -12.650 196 H LEU 502 HN LEU 502 -4.228 -3.423 -5.561 197 HA LEU 502 HA LEU 502 -3.937 -0.512 -5.922 198 HB2 LEU 502 HB2 LEU 502 -2.963 -2.330 -3.716 199 HB3 LEU 502 HB1 LEU 502 -2.614 -0.617 -3.826 200 HG LEU 502 HG LEU 502 -5.430 -1.656 -3.648 201 HD11 LEU 502 HD11 LEU 502 -4.185 -2.472 -1.712 202 HD12 LEU 502 HD12 LEU 502 -5.322 -1.206 -1.252 203 HD13 LEU 502 HD13 LEU 502 -3.605 -0.839 -1.393 204 HD21 LEU 502 HD21 LEU 502 -5.937 0.578 -2.955 205 HD22 LEU 502 HD22 LEU 502 -4.999 0.664 -4.447 206 HD23 LEU 502 HD23 LEU 502 -4.227 1.001 -2.899 207 H TRP 503 HN TRP 503 -1.761 0.295 -6.176 208 HA TRP 503 HA TRP 503 0.271 -1.757 -6.738 209 HB2 TRP 503 HB2 TRP 503 -0.105 0.916 -8.078 210 HB3 TRP 503 HB1 TRP 503 1.373 -0.020 -8.201 211 HD1 TRP 503 HD1 TRP 503 -2.372 -0.547 -8.941 212 HE1 TRP 503 HE1 TRP 503 -2.589 -1.864 -11.142 213 HE3 TRP 503 HE3 TRP 503 2.560 -1.452 -9.814 214 HZ2 TRP 503 HZ2 TRP 503 -0.885 -3.131 -12.986 215 HZ3 TRP 503 HZ3 TRP 503 3.185 -2.742 -11.806 216 HH2 TRP 503 HH2 TRP 503 1.502 -3.564 -13.358 217 H LEU 504 HN LEU 504 1.914 -1.719 -5.356 218 HA LEU 504 HA LEU 504 2.273 0.513 -3.537 219 HB2 LEU 504 HB2 LEU 504 2.464 -1.769 -2.700 220 HB3 LEU 504 HB1 LEU 504 3.752 -2.097 -3.829 221 HG LEU 504 HG LEU 504 5.068 -0.266 -2.649 222 HD11 LEU 504 HD11 LEU 504 3.255 0.801 -1.469 223 HD12 LEU 504 HD12 LEU 504 4.429 0.160 -0.320 224 HD13 LEU 504 HD13 LEU 504 2.910 -0.693 -0.595 225 HD21 LEU 504 HD21 LEU 504 4.358 -2.761 -1.112 226 HD22 LEU 504 HD22 LEU 504 5.816 -1.787 -0.904 227 HD23 LEU 504 HD23 LEU 504 5.540 -2.652 -2.416 228 H ARG 505 HN ARG 505 3.326 2.236 -4.321 229 HA ARG 505 HA ARG 505 5.695 1.768 -5.990 230 HB2 ARG 505 HB2 ARG 505 3.782 4.006 -5.752 231 HB3 ARG 505 HB1 ARG 505 5.467 4.453 -5.996 232 HG2 ARG 505 HG2 ARG 505 5.424 2.789 -7.936 233 HG3 ARG 505 HG1 ARG 505 3.666 2.861 -7.777 234 HD2 ARG 505 HD2 ARG 505 3.722 5.265 -8.090 235 HD3 ARG 505 HD1 ARG 505 5.480 5.226 -8.191 236 HE ARG 505 HE ARG 505 3.702 3.932 -10.158 237 HH11 ARG 505 HH11 ARG 505 6.622 5.700 -9.355 238 HH12 ARG 505 HH12 ARG 505 7.121 5.867 -11.008 239 HH21 ARG 505 HH21 ARG 505 4.376 4.147 -12.333 240 HH22 ARG 505 HH22 ARG 505 5.853 4.980 -12.695 241 H ILE 506 HN ILE 506 7.681 2.258 -5.311 242 HA ILE 506 HA ILE 506 7.994 3.077 -2.545 243 HB ILE 506 HB ILE 506 10.205 2.456 -4.500 244 HG12 ILE 506 HG12 ILE 506 8.721 0.518 -4.404 245 HG13 ILE 506 HG11 ILE 506 10.216 0.177 -3.541 246 HG21 ILE 506 HG21 ILE 506 11.005 3.599 -2.596 247 HG22 ILE 506 HG22 ILE 506 11.402 1.895 -2.378 248 HG23 ILE 506 HG23 ILE 506 10.038 2.601 -1.513 249 HD11 ILE 506 HD11 ILE 506 7.559 0.878 -2.323 250 HD12 ILE 506 HD12 ILE 506 9.056 0.646 -1.422 251 HD13 ILE 506 HD13 ILE 506 8.347 -0.699 -2.317 252 H GLU 507 HN GLU 507 8.292 5.107 -1.976 253 HA GLU 507 HA GLU 507 8.667 7.129 -4.005 254 HB2 GLU 507 HB2 GLU 507 8.150 7.292 -1.034 255 HB3 GLU 507 HB1 GLU 507 8.264 8.680 -2.101 256 HG2 GLU 507 HG2 GLU 507 6.407 7.105 -3.354 257 HG3 GLU 507 HG1 GLU 507 6.072 6.840 -1.641 258 H ASP 508 HN ASP 508 10.457 5.591 -1.466 259 HA ASP 508 HA ASP 508 12.869 6.978 -2.315 260 HB2 ASP 508 HB2 ASP 508 11.820 8.279 -0.383 261 HB3 ASP 508 HB1 ASP 508 12.174 6.876 0.622 262 H ILE 509 HN ILE 509 13.866 5.155 -2.984 263 HA ILE 509 HA ILE 509 13.408 2.658 -1.697 264 HB ILE 509 HB ILE 509 14.910 1.720 -3.375 265 HG12 ILE 509 HG12 ILE 509 15.455 3.596 -5.231 266 HG13 ILE 509 HG11 ILE 509 15.617 4.563 -3.770 267 HG21 ILE 509 HG21 ILE 509 12.591 2.019 -3.923 268 HG22 ILE 509 HG22 ILE 509 13.581 2.329 -5.350 269 HG23 ILE 509 HG23 ILE 509 12.895 3.677 -4.442 270 HD11 ILE 509 HD11 ILE 509 17.228 2.914 -2.903 271 HD12 ILE 509 HD12 ILE 509 17.759 3.689 -4.397 272 HD13 ILE 509 HD13 ILE 509 17.118 2.045 -4.436 273 H LYS 510 HN LYS 510 15.841 5.110 -1.309 274 HA LYS 510 HA LYS 510 17.768 3.193 -0.331 275 HB2 LYS 510 HB2 LYS 510 19.296 5.107 -0.143 276 HB3 LYS 510 HB1 LYS 510 18.670 4.871 -1.758 277 HG2 LYS 510 HG2 LYS 510 18.705 7.190 -1.378 278 HG3 LYS 510 HG1 LYS 510 17.015 6.703 -1.244 279 HD2 LYS 510 HD2 LYS 510 17.088 6.803 1.121 280 HD3 LYS 510 HD1 LYS 510 18.840 6.972 1.127 281 HE2 LYS 510 HE2 LYS 510 17.560 9.092 1.566 282 HE3 LYS 510 HE1 LYS 510 18.723 9.176 0.247 283 HZ1 LYS 510 HZ1 LYS 510 15.794 8.760 -0.070 284 HZ2 LYS 510 HZ2 LYS 510 16.926 8.902 -1.325 285 HZ3 LYS 510 HZ3 LYS 510 16.612 10.222 -0.319 286 H LYS 511 HN LYS 511 15.326 5.141 0.963 287 HA LYS 511 HA LYS 511 16.432 5.255 3.616 288 HB2 LYS 511 HB2 LYS 511 13.786 5.917 2.373 289 HB3 LYS 511 HB1 LYS 511 13.931 5.809 4.115 290 HG2 LYS 511 HG2 LYS 511 15.654 7.592 2.418 291 HG3 LYS 511 HG1 LYS 511 14.139 8.111 3.154 292 HD2 LYS 511 HD2 LYS 511 16.515 7.031 4.674 293 HD3 LYS 511 HD1 LYS 511 16.139 8.743 4.476 294 HE2 LYS 511 HE2 LYS 511 13.962 8.353 5.585 295 HE3 LYS 511 HE1 LYS 511 14.424 6.674 5.849 296 HZ1 LYS 511 HZ1 LYS 511 14.840 7.971 7.814 297 HZ2 LYS 511 HZ2 LYS 511 15.797 9.063 6.953 298 HZ3 LYS 511 HZ3 LYS 511 16.316 7.470 7.158 299 H LEU 512 HN LEU 512 14.957 2.896 1.715 300 HA LEU 512 HA LEU 512 13.693 1.513 3.943 301 HB2 LEU 512 HB2 LEU 512 13.840 0.773 1.027 302 HB3 LEU 512 HB1 LEU 512 12.819 0.023 2.241 303 HG LEU 512 HG LEU 512 12.596 2.866 1.262 304 HD11 LEU 512 HD11 LEU 512 10.440 2.053 0.355 305 HD12 LEU 512 HD12 LEU 512 10.932 0.411 0.773 306 HD13 LEU 512 HD13 LEU 512 11.857 1.336 -0.412 307 HD21 LEU 512 HD21 LEU 512 11.027 1.299 3.296 308 HD22 LEU 512 HD22 LEU 512 10.469 2.812 2.568 309 HD23 LEU 512 HD23 LEU 512 11.936 2.793 3.547 310 H LYS 513 HN LYS 513 14.074 -0.729 4.320 311 HA LYS 513 HA LYS 513 16.837 -1.562 3.882 312 HB2 LYS 513 HB2 LYS 513 14.614 -2.592 5.638 313 HB3 LYS 513 HB1 LYS 513 16.104 -3.493 5.394 314 HG2 LYS 513 HG2 LYS 513 15.961 -0.691 6.480 315 HG3 LYS 513 HG1 LYS 513 16.086 -2.150 7.466 316 HD2 LYS 513 HD2 LYS 513 18.194 -2.697 6.241 317 HD3 LYS 513 HD1 LYS 513 18.086 -1.120 5.461 318 HE2 LYS 513 HE2 LYS 513 18.289 0.012 7.552 319 HE3 LYS 513 HE1 LYS 513 18.148 -1.499 8.446 320 HZ1 LYS 513 HZ1 LYS 513 20.247 -2.215 7.549 321 HZ2 LYS 513 HZ2 LYS 513 20.442 -0.708 8.288 322 HZ3 LYS 513 HZ3 LYS 513 20.371 -0.820 6.605 323 H GLY 514 HN GLY 514 16.707 -2.021 1.656 324 HA2 GLY 514 HA2 GLY 514 16.399 -4.581 0.849 325 HA3 GLY 514 HA1 GLY 514 14.779 -3.924 0.670 326 H LYS 515 HN LYS 515 16.079 -4.867 -1.528 327 HA LYS 515 HA LYS 515 17.244 -2.568 -2.897 328 HB2 LYS 515 HB2 LYS 515 16.914 -5.449 -3.758 329 HB3 LYS 515 HB1 LYS 515 17.612 -4.194 -4.767 330 HG2 LYS 515 HG2 LYS 515 19.430 -5.363 -3.868 331 HG3 LYS 515 HG1 LYS 515 19.336 -3.871 -2.938 332 HD2 LYS 515 HD2 LYS 515 18.286 -5.023 -1.104 333 HD3 LYS 515 HD1 LYS 515 18.168 -6.506 -2.053 334 HE2 LYS 515 HE2 LYS 515 20.584 -6.691 -2.115 335 HE3 LYS 515 HE1 LYS 515 20.747 -5.162 -1.257 336 HZ1 LYS 515 HZ1 LYS 515 19.424 -7.578 -0.158 337 HZ2 LYS 515 HZ2 LYS 515 19.713 -6.131 0.663 338 HZ3 LYS 515 HZ3 LYS 515 21.008 -7.106 0.191 339 H TYR 516 HN TYR 516 15.779 -1.177 -3.644 340 HA TYR 516 HA TYR 516 13.523 -2.247 -5.202 341 HB2 TYR 516 HB2 TYR 516 13.399 0.217 -3.455 342 HB3 TYR 516 HB1 TYR 516 12.069 -0.512 -4.347 343 HD1 TYR 516 HD1 TYR 516 11.261 -2.781 -3.649 344 HD2 TYR 516 HD2 TYR 516 13.922 -0.479 -1.267 345 HE1 TYR 516 HE1 TYR 516 10.644 -4.118 -1.681 346 HE2 TYR 516 HE2 TYR 516 13.321 -1.811 0.706 347 HH TYR 516 HH TYR 516 11.593 -4.728 0.502 348 H LYS 517 HN LYS 517 12.897 -1.002 -6.998 349 HA LYS 517 HA LYS 517 15.012 0.693 -8.019 350 HB2 LYS 517 HB2 LYS 517 14.305 -0.827 -9.614 351 HB3 LYS 517 HB1 LYS 517 12.612 -0.661 -9.188 352 HG2 LYS 517 HG2 LYS 517 12.462 1.423 -10.284 353 HG3 LYS 517 HG1 LYS 517 14.209 1.511 -10.498 354 HD2 LYS 517 HD2 LYS 517 12.418 -0.572 -11.744 355 HD3 LYS 517 HD1 LYS 517 13.006 0.872 -12.569 356 HE2 LYS 517 HE2 LYS 517 14.715 -1.340 -11.427 357 HE3 LYS 517 HE1 LYS 517 14.351 -1.091 -13.132 358 HZ1 LYS 517 HZ1 LYS 517 16.517 -0.212 -12.578 359 HZ2 LYS 517 HZ2 LYS 517 15.853 0.783 -11.387 360 HZ3 LYS 517 HZ3 LYS 517 15.479 1.051 -13.012 361 H ASP 518 HN ASP 518 14.681 2.796 -8.766 362 HA ASP 518 HA ASP 518 13.199 4.250 -6.788 363 HB2 ASP 518 HB2 ASP 518 14.385 6.216 -7.619 364 HB3 ASP 518 HB1 ASP 518 15.504 4.877 -7.393 365 H ASN 519 HN ASN 519 11.593 2.940 -8.766 366 HA ASN 519 HA ASN 519 9.613 4.853 -9.087 367 HB2 ASN 519 HB2 ASN 519 9.582 5.175 -11.552 368 HB3 ASN 519 HB1 ASN 519 10.962 5.934 -10.770 369 HD21 ASN 519 HD21 ASN 519 12.186 5.988 -12.597 370 HD22 ASN 519 HD22 ASN 519 12.861 4.574 -13.330 371 H GLU 520 HN GLU 520 10.094 1.955 -8.497 372 HA GLU 520 HA GLU 520 8.509 0.711 -10.588 373 HB2 GLU 520 HB2 GLU 520 9.177 -1.383 -9.702 374 HB3 GLU 520 HB1 GLU 520 10.612 -0.384 -9.777 375 HG2 GLU 520 HG2 GLU 520 10.591 -0.044 -7.426 376 HG3 GLU 520 HG1 GLU 520 8.993 -0.778 -7.275 377 H ALA 521 HN ALA 521 6.691 -0.533 -10.077 378 HA ALA 521 HA ALA 521 5.400 0.091 -7.512 379 HB1 ALA 521 HB1 ALA 521 4.051 0.009 -10.210 380 HB2 ALA 521 HB2 ALA 521 4.412 1.468 -9.286 381 HB3 ALA 521 HB3 ALA 521 3.262 0.288 -8.658 382 H ILE 522 HN ILE 522 4.096 -1.466 -6.667 383 HA ILE 522 HA ILE 522 4.344 -4.133 -7.883 384 HB ILE 522 HB ILE 522 4.383 -3.353 -4.965 385 HG12 ILE 522 HG12 ILE 522 6.508 -4.798 -6.544 386 HG13 ILE 522 HG11 ILE 522 6.473 -3.051 -6.384 387 HG21 ILE 522 HG21 ILE 522 3.151 -5.435 -5.289 388 HG22 ILE 522 HG22 ILE 522 4.704 -5.739 -4.507 389 HG23 ILE 522 HG23 ILE 522 4.495 -6.091 -6.222 390 HD11 ILE 522 HD11 ILE 522 6.511 -4.878 -4.013 391 HD12 ILE 522 HD12 ILE 522 6.864 -3.149 -4.071 392 HD13 ILE 522 HD13 ILE 522 7.980 -4.306 -4.800 393 H GLU 523 HN GLU 523 2.379 -4.489 -8.750 394 HA GLU 523 HA GLU 523 -0.060 -3.449 -7.682 395 HB2 GLU 523 HB2 GLU 523 0.099 -3.873 -10.029 396 HB3 GLU 523 HB1 GLU 523 0.510 -5.556 -9.769 397 HG2 GLU 523 HG2 GLU 523 -1.812 -5.629 -8.565 398 HG3 GLU 523 HG1 GLU 523 -2.118 -4.161 -9.493 399 H PHE 524 HN PHE 524 -1.246 -4.238 -6.081 400 HA PHE 524 HA PHE 524 -1.336 -7.103 -5.588 401 HB2 PHE 524 HB2 PHE 524 -0.925 -6.900 -3.209 402 HB3 PHE 524 HB1 PHE 524 0.444 -6.238 -4.087 403 HD1 PHE 524 HD2 PHE 524 0.600 -3.723 -4.328 404 HD2 PHE 524 HD1 PHE 524 -2.044 -5.628 -1.591 405 HE1 PHE 524 HE2 PHE 524 0.387 -1.617 -3.071 406 HE2 PHE 524 HE1 PHE 524 -2.256 -3.525 -0.329 407 HZ PHE 524 HZ PHE 524 -0.943 -1.586 -0.946 408 H SER 525 HN SER 525 -3.290 -7.782 -4.804 409 HA SER 525 HA SER 525 -5.424 -5.798 -4.921 410 HB2 SER 525 HB2 SER 525 -5.532 -8.821 -4.765 411 HB3 SER 525 HB1 SER 525 -6.923 -7.759 -4.985 412 HG SER 525 HG SER 525 -4.721 -7.666 -6.754 413 H PHE 526 HN PHE 526 -6.911 -5.446 -3.193 414 HA PHE 526 HA PHE 526 -6.025 -6.588 -0.624 415 HB2 PHE 526 HB2 PHE 526 -5.143 -4.216 -1.051 416 HB3 PHE 526 HB1 PHE 526 -6.815 -3.693 -0.935 417 HD1 PHE 526 HD2 PHE 526 -3.998 -5.152 0.904 418 HD2 PHE 526 HD1 PHE 526 -7.931 -3.565 1.163 419 HE1 PHE 526 HE2 PHE 526 -3.782 -5.027 3.351 420 HE2 PHE 526 HE1 PHE 526 -7.721 -3.431 3.613 421 HZ PHE 526 HZ PHE 526 -5.646 -4.166 4.705 422 H ASP 527 HN ASP 527 -7.660 -7.672 0.200 423 HA ASP 527 HA ASP 527 -10.398 -6.810 -0.201 424 HB2 ASP 527 HB2 ASP 527 -9.617 -9.239 0.061 425 HB3 ASP 527 HB1 ASP 527 -9.439 -8.878 1.770 426 H LEU 528 HN LEU 528 -11.026 -5.074 0.840 427 HA LEU 528 HA LEU 528 -9.482 -3.823 2.808 428 HB2 LEU 528 HB2 LEU 528 -12.290 -3.358 1.857 429 HB3 LEU 528 HB1 LEU 528 -11.459 -2.291 2.969 430 HG LEU 528 HG LEU 528 -10.329 -2.943 0.258 431 HD11 LEU 528 HD11 LEU 528 -12.124 -0.645 1.010 432 HD12 LEU 528 HD12 LEU 528 -12.563 -1.997 -0.037 433 HD13 LEU 528 HD13 LEU 528 -11.305 -0.863 -0.537 434 HD21 LEU 528 HD21 LEU 528 -9.069 -0.916 0.585 435 HD22 LEU 528 HD22 LEU 528 -8.823 -1.985 1.967 436 HD23 LEU 528 HD23 LEU 528 -9.911 -0.600 2.104 437 H GLU 529 HN GLU 529 -11.863 -6.251 3.152 438 HA GLU 529 HA GLU 529 -12.298 -5.488 5.947 439 HB2 GLU 529 HB2 GLU 529 -13.883 -7.359 4.192 440 HB3 GLU 529 HB1 GLU 529 -14.237 -7.018 5.881 441 HG2 GLU 529 HG2 GLU 529 -14.325 -5.110 3.569 442 HG3 GLU 529 HG1 GLU 529 -15.684 -5.692 4.531 443 H ARG 530 HN ARG 530 -11.346 -8.209 3.892 444 HA ARG 530 HA ARG 530 -10.827 -9.893 6.181 445 HB2 ARG 530 HB2 ARG 530 -10.503 -10.249 3.214 446 HB3 ARG 530 HB1 ARG 530 -9.987 -11.459 4.372 447 HG2 ARG 530 HG2 ARG 530 -12.222 -11.766 5.150 448 HG3 ARG 530 HG1 ARG 530 -12.793 -10.410 4.179 449 HD2 ARG 530 HD2 ARG 530 -13.322 -12.579 3.148 450 HD3 ARG 530 HD1 ARG 530 -12.258 -11.600 2.143 451 HE ARG 530 HE ARG 530 -10.919 -13.502 3.861 452 HH11 ARG 530 HH11 ARG 530 -12.326 -12.908 0.707 453 HH12 ARG 530 HH12 ARG 530 -11.391 -14.140 -0.080 454 HH21 ARG 530 HH21 ARG 530 -9.693 -15.127 2.830 455 HH22 ARG 530 HH22 ARG 530 -9.893 -15.405 1.128 456 H ASP 531 HN ASP 531 -8.894 -8.302 3.649 457 HA ASP 531 HA ASP 531 -6.464 -9.492 4.566 458 HB2 ASP 531 HB2 ASP 531 -7.090 -7.411 2.499 459 HB3 ASP 531 HB1 ASP 531 -5.428 -7.716 2.985 460 H VAL 532 HN VAL 532 -4.799 -8.626 5.644 461 HA VAL 532 HA VAL 532 -5.240 -6.053 7.016 462 HB VAL 532 HB VAL 532 -3.586 -8.447 7.865 463 HG11 VAL 532 HG11 VAL 532 -2.530 -6.371 8.573 464 HG12 VAL 532 HG12 VAL 532 -3.194 -7.241 9.954 465 HG13 VAL 532 HG13 VAL 532 -4.043 -5.838 9.305 466 HG21 VAL 532 HG21 VAL 532 -6.139 -7.299 8.974 467 HG22 VAL 532 HG22 VAL 532 -5.206 -8.601 9.714 468 HG23 VAL 532 HG23 VAL 532 -5.953 -8.839 8.133 469 HA PRO 533 HA PRO 533 -1.982 -4.317 4.562 470 HB2 PRO 533 HB2 PRO 533 -1.422 -2.934 7.161 471 HB3 PRO 533 HB1 PRO 533 -1.545 -2.257 5.531 472 HG2 PRO 533 HG2 PRO 533 -3.575 -1.980 7.188 473 HG3 PRO 533 HG1 PRO 533 -3.879 -2.428 5.502 474 HD2 PRO 533 HD2 PRO 533 -3.914 -4.131 7.958 475 HD3 PRO 533 HD1 PRO 533 -4.997 -4.162 6.549 476 H GLU 534 HN GLU 534 -1.208 -5.368 7.884 477 HA GLU 534 HA GLU 534 1.566 -5.718 7.344 478 HB2 GLU 534 HB2 GLU 534 -0.228 -6.639 9.582 479 HB3 GLU 534 HB1 GLU 534 1.478 -7.045 9.516 480 HG2 GLU 534 HG2 GLU 534 2.057 -4.684 9.533 481 HG3 GLU 534 HG1 GLU 534 0.351 -4.261 9.560 482 H ASP 535 HN ASP 535 -1.257 -7.784 7.235 483 HA ASP 535 HA ASP 535 0.034 -10.268 6.871 484 HB2 ASP 535 HB2 ASP 535 -2.353 -10.082 7.428 485 HB3 ASP 535 HB1 ASP 535 -2.670 -9.327 5.879 486 H VAL 536 HN VAL 536 -1.174 -7.845 4.638 487 HA VAL 536 HA VAL 536 -0.495 -9.269 2.277 488 HB VAL 536 HB VAL 536 -1.012 -6.317 2.645 489 HG11 VAL 536 HG11 VAL 536 -1.554 -6.299 0.284 490 HG12 VAL 536 HG12 VAL 536 -1.195 -8.024 0.163 491 HG13 VAL 536 HG13 VAL 536 0.098 -6.877 0.517 492 HG21 VAL 536 HG21 VAL 536 -3.306 -6.821 2.086 493 HG22 VAL 536 HG22 VAL 536 -2.814 -7.797 3.479 494 HG23 VAL 536 HG23 VAL 536 -2.910 -8.528 1.874 495 H ALA 537 HN ALA 537 1.145 -6.771 4.189 496 HA ALA 537 HA ALA 537 3.340 -6.429 2.450 497 HB1 ALA 537 HB1 ALA 537 2.810 -4.916 4.341 498 HB2 ALA 537 HB2 ALA 537 4.496 -5.436 4.307 499 HB3 ALA 537 HB3 ALA 537 3.368 -6.167 5.454 500 H GLN 538 HN GLN 538 2.529 -8.902 4.778 501 HA GLN 538 HA GLN 538 5.040 -10.213 4.814 502 HB2 GLN 538 HB2 GLN 538 2.229 -11.047 5.416 503 HB3 GLN 538 HB1 GLN 538 3.472 -12.279 5.260 504 HG2 GLN 538 HG2 GLN 538 3.602 -9.942 7.147 505 HG3 GLN 538 HG1 GLN 538 3.080 -11.567 7.585 506 HE21 GLN 538 HE21 GLN 538 5.023 -12.843 5.841 507 HE22 GLN 538 HE22 GLN 538 6.550 -12.693 6.637 508 H GLU 539 HN GLU 539 2.113 -10.694 2.852 509 HA GLU 539 HA GLU 539 3.043 -12.652 1.117 510 HB2 GLU 539 HB2 GLU 539 1.256 -10.287 0.483 511 HB3 GLU 539 HB1 GLU 539 1.431 -11.715 -0.525 512 HG2 GLU 539 HG2 GLU 539 0.471 -11.849 2.312 513 HG3 GLU 539 HG1 GLU 539 -0.614 -11.592 0.948 514 H MET 540 HN MET 540 3.447 -9.169 1.030 515 HA MET 540 HA MET 540 4.780 -8.879 -1.384 516 HB2 MET 540 HB2 MET 540 4.952 -7.357 1.195 517 HB3 MET 540 HB1 MET 540 5.831 -6.868 -0.248 518 HG2 MET 540 HG2 MET 540 3.726 -6.736 -1.474 519 HG3 MET 540 HG1 MET 540 2.858 -7.191 -0.011 520 HE1 MET 540 HE1 MET 540 1.400 -4.978 -0.636 521 HE2 MET 540 HE2 MET 540 2.519 -4.697 -1.968 522 HE3 MET 540 HE3 MET 540 2.141 -3.390 -0.842 523 H VAL 541 HN VAL 541 6.092 -9.528 1.839 524 HA VAL 541 HA VAL 541 8.805 -9.617 1.005 525 HB VAL 541 HB VAL 541 7.545 -10.840 3.467 526 HG11 VAL 541 HG11 VAL 541 9.799 -10.696 4.426 527 HG12 VAL 541 HG12 VAL 541 10.417 -10.133 2.874 528 HG13 VAL 541 HG13 VAL 541 9.752 -11.760 3.019 529 HG21 VAL 541 HG21 VAL 541 8.808 -8.132 3.055 530 HG22 VAL 541 HG22 VAL 541 8.266 -8.787 4.600 531 HG23 VAL 541 HG23 VAL 541 7.095 -8.458 3.323 532 H GLU 542 HN GLU 542 6.385 -12.138 1.689 533 HA GLU 542 HA GLU 542 8.047 -14.353 1.313 534 HB2 GLU 542 HB2 GLU 542 5.076 -14.060 0.870 535 HB3 GLU 542 HB1 GLU 542 5.930 -15.595 0.963 536 HG2 GLU 542 HG2 GLU 542 6.577 -15.140 3.242 537 HG3 GLU 542 HG1 GLU 542 5.849 -13.542 3.160 538 H SER 543 HN SER 543 6.268 -12.414 -1.016 539 HA SER 543 HA SER 543 6.734 -14.321 -3.129 540 HB2 SER 543 HB2 SER 543 5.600 -11.526 -3.331 541 HB3 SER 543 HB1 SER 543 5.476 -12.807 -4.537 542 HG SER 543 HG SER 543 4.154 -12.518 -2.083 543 H GLY 544 HN GLY 544 8.611 -11.983 -1.687 544 HA2 GLY 544 HA2 GLY 544 10.842 -11.577 -2.271 545 HA3 GLY 544 HA1 GLY 544 10.501 -12.154 -3.894 546 H TYR 545 HN TYR 545 8.300 -9.828 -2.671 547 HA TYR 545 HA TYR 545 9.330 -7.853 -4.538 548 HB2 TYR 545 HB2 TYR 545 6.873 -7.834 -2.777 549 HB3 TYR 545 HB1 TYR 545 7.294 -6.577 -3.929 550 HD1 TYR 545 HD2 TYR 545 7.889 -7.692 -6.382 551 HD2 TYR 545 HD1 TYR 545 5.200 -9.236 -3.470 552 HE1 TYR 545 HE2 TYR 545 6.683 -8.908 -8.147 553 HE2 TYR 545 HE1 TYR 545 3.987 -10.452 -5.225 554 HH TYR 545 HH TYR 545 5.204 -10.990 -8.273 555 H VAL 546 HN VAL 546 8.488 -8.013 -1.099 556 HA VAL 546 HA VAL 546 10.172 -5.651 -0.625 557 HB VAL 546 HB VAL 546 7.968 -6.817 1.094 558 HG11 VAL 546 HG11 VAL 546 8.245 -4.926 2.551 559 HG12 VAL 546 HG12 VAL 546 9.516 -4.266 1.523 560 HG13 VAL 546 HG13 VAL 546 9.787 -5.766 2.408 561 HG21 VAL 546 HG21 VAL 546 7.248 -5.664 -1.002 562 HG22 VAL 546 HG22 VAL 546 8.028 -4.201 -0.402 563 HG23 VAL 546 HG23 VAL 546 6.668 -4.901 0.479 564 H CYS 547 HN CYS 547 11.749 -5.688 0.935 565 HA CYS 547 HA CYS 547 12.689 -8.292 1.802 566 HB2 CYS 547 HB2 CYS 547 14.270 -6.546 1.011 567 HB3 CYS 547 HB1 CYS 547 13.788 -5.524 2.358 568 HG CYS 547 HG CYS 547 16.372 -6.820 2.642 569 H GLU 548 HN GLU 548 12.861 -8.908 3.987 570 HA GLU 548 HA GLU 548 10.537 -8.291 5.443 571 HB2 GLU 548 HB2 GLU 548 11.504 -9.785 7.192 572 HB3 GLU 548 HB1 GLU 548 11.407 -10.491 5.594 573 HG2 GLU 548 HG2 GLU 548 13.466 -11.174 6.462 574 HG3 GLU 548 HG1 GLU 548 13.843 -9.895 5.316 575 H GLY 549 HN GLY 549 13.273 -6.468 5.240 576 HA2 GLY 549 HA2 GLY 549 13.324 -5.599 8.002 577 HA3 GLY 549 HA1 GLY 549 14.312 -4.974 6.694 578 H ASP 550 HN ASP 550 11.459 -4.835 5.265 579 HA ASP 550 HA ASP 550 10.777 -2.226 6.469 580 HB2 ASP 550 HB2 ASP 550 11.939 -2.322 4.088 581 HB3 ASP 550 HB1 ASP 550 10.314 -2.676 3.555 582 H HIS 551 HN HIS 551 9.621 -4.893 6.894 583 HA HIS 551 HA HIS 551 7.232 -5.301 5.491 584 HB2 HIS 551 HB2 HIS 551 8.088 -7.063 6.867 585 HB3 HIS 551 HB1 HIS 551 8.074 -6.045 8.302 586 HD1 HIS 551 HD1 HIS 551 5.851 -5.802 9.569 587 HD2 HIS 551 HD2 HIS 551 5.584 -8.155 6.149 588 HE1 HIS 551 HE1 HIS 551 3.597 -6.903 9.682 589 HE2 HIS 551 HE2 HIS 551 3.413 -8.246 7.561 590 H LYS 552 HN LYS 552 7.794 -3.553 8.548 591 HA LYS 552 HA LYS 552 5.061 -2.918 8.978 592 HB2 LYS 552 HB2 LYS 552 6.783 -2.984 10.763 593 HB3 LYS 552 HB1 LYS 552 7.521 -1.549 10.072 594 HG2 LYS 552 HG2 LYS 552 5.538 -0.255 10.554 595 HG3 LYS 552 HG1 LYS 552 4.719 -1.695 11.161 596 HD2 LYS 552 HD2 LYS 552 5.524 -0.391 13.022 597 HD3 LYS 552 HD1 LYS 552 6.450 -1.887 12.919 598 HE2 LYS 552 HE2 LYS 552 8.267 -0.689 11.811 599 HE3 LYS 552 HE1 LYS 552 7.335 0.805 11.883 600 HZ1 LYS 552 HZ1 LYS 552 8.263 -0.751 14.233 601 HZ2 LYS 552 HZ2 LYS 552 7.411 0.708 14.284 602 HZ3 LYS 552 HZ3 LYS 552 8.979 0.667 13.653 603 H THR 553 HN THR 553 7.668 -1.360 7.289 604 HA THR 553 HA THR 553 6.524 1.200 6.976 605 HB THR 553 HB THR 553 8.516 -0.263 5.229 606 HG1 THR 553 HG1 THR 553 10.047 0.614 6.534 607 HG21 THR 553 HG21 THR 553 8.050 2.710 5.494 608 HG22 THR 553 HG22 THR 553 7.504 1.719 4.140 609 HG23 THR 553 HG23 THR 553 9.230 1.897 4.459 610 H MET 554 HN MET 554 6.618 -1.641 4.840 611 HA MET 554 HA MET 554 5.098 -0.543 2.740 612 HB2 MET 554 HB2 MET 554 5.390 -3.428 3.577 613 HB3 MET 554 HB1 MET 554 4.788 -2.872 2.024 614 HG2 MET 554 HG2 MET 554 7.546 -2.437 3.125 615 HG3 MET 554 HG1 MET 554 7.085 -3.566 1.855 616 HE1 MET 554 HE1 MET 554 9.139 -2.416 0.470 617 HE2 MET 554 HE2 MET 554 9.381 -1.265 1.787 618 HE3 MET 554 HE3 MET 554 9.201 -0.686 0.130 619 H ALA 555 HN ALA 555 4.219 -2.455 5.558 620 HA ALA 555 HA ALA 555 1.483 -2.757 5.073 621 HB1 ALA 555 HB1 ALA 555 1.275 -3.159 7.453 622 HB2 ALA 555 HB2 ALA 555 2.846 -2.409 7.744 623 HB3 ALA 555 HB3 ALA 555 2.745 -3.927 6.848 624 H LYS 556 HN LYS 556 3.315 -0.085 6.447 625 HA LYS 556 HA LYS 556 1.068 1.398 7.316 626 HB2 LYS 556 HB2 LYS 556 3.386 1.738 8.154 627 HB3 LYS 556 HB1 LYS 556 3.810 2.420 6.589 628 HG2 LYS 556 HG2 LYS 556 3.369 4.165 8.225 629 HG3 LYS 556 HG1 LYS 556 2.200 4.203 6.905 630 HD2 LYS 556 HD2 LYS 556 0.582 3.009 8.308 631 HD3 LYS 556 HD1 LYS 556 1.748 2.992 9.631 632 HE2 LYS 556 HE2 LYS 556 1.707 5.406 9.742 633 HE3 LYS 556 HE1 LYS 556 0.639 5.481 8.341 634 HZ1 LYS 556 HZ1 LYS 556 -0.559 5.745 10.439 635 HZ2 LYS 556 HZ2 LYS 556 -0.047 4.209 10.936 636 HZ3 LYS 556 HZ3 LYS 556 -1.070 4.370 9.601 637 H ALA 557 HN ALA 557 2.992 1.371 4.360 638 HA ALA 557 HA ALA 557 1.756 3.515 3.049 639 HB1 ALA 557 HB1 ALA 557 2.601 2.553 1.002 640 HB2 ALA 557 HB2 ALA 557 2.785 0.979 1.773 641 HB3 ALA 557 HB3 ALA 557 3.810 2.327 2.267 642 H ILE 558 HN ILE 558 1.012 0.067 3.043 643 HA ILE 558 HA ILE 558 -1.283 0.116 1.467 644 HB ILE 558 HB ILE 558 -0.560 -1.704 3.767 645 HG12 ILE 558 HG12 ILE 558 -0.130 -2.030 0.800 646 HG13 ILE 558 HG11 ILE 558 1.108 -1.553 1.931 647 HG21 ILE 558 HG21 ILE 558 -2.588 -2.037 1.565 648 HG22 ILE 558 HG22 ILE 558 -2.892 -1.967 3.304 649 HG23 ILE 558 HG23 ILE 558 -2.029 -3.343 2.610 650 HD11 ILE 558 HD11 ILE 558 -0.355 -4.177 1.927 651 HD12 ILE 558 HD12 ILE 558 0.878 -3.690 3.090 652 HD13 ILE 558 HD13 ILE 558 1.303 -3.898 1.392 653 H LYS 559 HN LYS 559 -0.972 0.232 5.018 654 HA LYS 559 HA LYS 559 -3.733 0.426 5.546 655 HB2 LYS 559 HB2 LYS 559 -1.904 -0.206 7.172 656 HB3 LYS 559 HB1 LYS 559 -1.548 1.514 7.309 657 HG2 LYS 559 HG2 LYS 559 -3.743 1.962 8.151 658 HG3 LYS 559 HG1 LYS 559 -4.241 0.297 7.857 659 HD2 LYS 559 HD2 LYS 559 -2.445 -0.409 9.466 660 HD3 LYS 559 HD1 LYS 559 -2.249 1.299 9.875 661 HE2 LYS 559 HE2 LYS 559 -4.847 -0.204 10.035 662 HE3 LYS 559 HE1 LYS 559 -3.765 0.043 11.408 663 HZ1 LYS 559 HZ1 LYS 559 -4.036 2.455 11.070 664 HZ2 LYS 559 HZ2 LYS 559 -5.494 1.687 11.442 665 HZ3 LYS 559 HZ3 LYS 559 -5.165 2.150 9.849 666 H ASP 560 HN ASP 560 -1.264 2.903 4.991 667 HA ASP 560 HA ASP 560 -2.785 5.141 5.765 668 HB2 ASP 560 HB2 ASP 560 -0.337 5.174 5.326 669 HB3 ASP 560 HB1 ASP 560 -0.679 5.006 3.611 670 H ARG 561 HN ARG 561 -2.345 3.591 2.616 671 HA ARG 561 HA ARG 561 -4.065 5.328 1.211 672 HB2 ARG 561 HB2 ARG 561 -2.317 3.921 0.152 673 HB3 ARG 561 HB1 ARG 561 -3.271 2.495 0.524 674 HG2 ARG 561 HG2 ARG 561 -3.433 3.391 -1.838 675 HG3 ARG 561 HG1 ARG 561 -4.952 3.089 -0.991 676 HD2 ARG 561 HD2 ARG 561 -5.397 5.333 -0.705 677 HD3 ARG 561 HD1 ARG 561 -3.710 5.790 -0.866 678 HE ARG 561 HE ARG 561 -4.046 5.135 -3.306 679 HH11 ARG 561 HH11 ARG 561 -6.598 6.407 -1.286 680 HH12 ARG 561 HH12 ARG 561 -7.399 7.233 -2.578 681 HH21 ARG 561 HH21 ARG 561 -5.089 6.253 -5.027 682 HH22 ARG 561 HH22 ARG 561 -6.542 7.146 -4.709 683 H VAL 562 HN VAL 562 -4.539 2.099 2.623 684 HA VAL 562 HA VAL 562 -7.189 1.715 1.853 685 HB VAL 562 HB VAL 562 -5.683 0.717 4.272 686 HG11 VAL 562 HG11 VAL 562 -7.471 -0.987 4.455 687 HG12 VAL 562 HG12 VAL 562 -8.405 -0.075 3.262 688 HG13 VAL 562 HG13 VAL 562 -8.019 0.650 4.821 689 HG21 VAL 562 HG21 VAL 562 -4.876 -0.006 2.051 690 HG22 VAL 562 HG22 VAL 562 -6.479 -0.674 1.714 691 HG23 VAL 562 HG23 VAL 562 -5.499 -1.342 3.023 692 H SER 563 HN SER 563 -5.829 3.405 4.638 693 HA SER 563 HA SER 563 -8.254 3.905 5.979 694 HB2 SER 563 HB2 SER 563 -5.868 4.197 6.856 695 HB3 SER 563 HB1 SER 563 -5.855 5.738 6.004 696 HG SER 563 HG SER 563 -8.103 5.622 7.411 697 H LEU 564 HN LEU 564 -6.454 5.778 3.553 698 HA LEU 564 HA LEU 564 -8.234 7.977 3.441 699 HB2 LEU 564 HB2 LEU 564 -6.397 6.874 1.315 700 HB3 LEU 564 HB1 LEU 564 -7.169 8.444 1.259 701 HG LEU 564 HG LEU 564 -5.188 7.602 3.372 702 HD11 LEU 564 HD11 LEU 564 -4.138 7.702 1.167 703 HD12 LEU 564 HD12 LEU 564 -3.596 9.023 2.203 704 HD13 LEU 564 HD13 LEU 564 -4.783 9.328 0.935 705 HD21 LEU 564 HD21 LEU 564 -6.738 9.321 4.105 706 HD22 LEU 564 HD22 LEU 564 -6.380 10.276 2.667 707 HD23 LEU 564 HD23 LEU 564 -5.125 9.995 3.875 708 H ILE 565 HN ILE 565 -8.012 4.968 1.649 709 HA ILE 565 HA ILE 565 -10.075 5.299 -0.179 710 HB ILE 565 HB ILE 565 -8.905 2.892 1.177 711 HG12 ILE 565 HG12 ILE 565 -8.773 3.859 -1.673 712 HG13 ILE 565 HG11 ILE 565 -7.616 4.307 -0.432 713 HG21 ILE 565 HG21 ILE 565 -10.067 1.454 -0.394 714 HG22 ILE 565 HG22 ILE 565 -10.933 2.845 -1.054 715 HG23 ILE 565 HG23 ILE 565 -11.221 2.331 0.611 716 HD11 ILE 565 HD11 ILE 565 -6.738 2.550 -1.804 717 HD12 ILE 565 HD12 ILE 565 -8.142 1.539 -1.456 718 HD13 ILE 565 HD13 ILE 565 -7.013 1.958 -0.167 719 H LYS 566 HN LYS 566 -10.183 3.801 3.041 720 HA LYS 566 HA LYS 566 -12.997 3.440 2.997 721 HB2 LYS 566 HB2 LYS 566 -11.033 3.426 5.282 722 HB3 LYS 566 HB1 LYS 566 -12.738 3.027 5.457 723 HG2 LYS 566 HG2 LYS 566 -12.437 1.217 3.792 724 HG3 LYS 566 HG1 LYS 566 -10.713 1.579 3.775 725 HD2 LYS 566 HD2 LYS 566 -10.548 1.046 6.135 726 HD3 LYS 566 HD1 LYS 566 -12.289 0.768 6.217 727 HE2 LYS 566 HE2 LYS 566 -11.994 -1.048 4.521 728 HE3 LYS 566 HE1 LYS 566 -10.251 -0.827 4.669 729 HZ1 LYS 566 HZ1 LYS 566 -11.031 -2.645 6.049 730 HZ2 LYS 566 HZ2 LYS 566 -12.088 -1.607 6.867 731 HZ3 LYS 566 HZ3 LYS 566 -10.417 -1.396 7.014 732 H ARG 567 HN ARG 567 -10.935 6.068 3.997 733 HA ARG 567 HA ARG 567 -12.756 7.579 5.492 734 HB2 ARG 567 HB2 ARG 567 -10.376 8.071 5.433 735 HB3 ARG 567 HB1 ARG 567 -10.463 8.429 3.717 736 HG2 ARG 567 HG2 ARG 567 -10.312 10.464 4.965 737 HG3 ARG 567 HG1 ARG 567 -11.902 10.351 4.213 738 HD2 ARG 567 HD2 ARG 567 -11.755 9.231 6.918 739 HD3 ARG 567 HD1 ARG 567 -11.443 10.964 6.831 740 HE ARG 567 HE ARG 567 -13.718 10.491 5.323 741 HH11 ARG 567 HH11 ARG 567 -12.730 10.107 8.661 742 HH12 ARG 567 HH12 ARG 567 -14.316 10.400 9.299 743 HH21 ARG 567 HH21 ARG 567 -15.802 10.909 6.157 744 HH22 ARG 567 HH22 ARG 567 -16.066 10.861 7.870 745 H LYS 568 HN LYS 568 -12.079 7.524 2.004 746 HA LYS 568 HA LYS 568 -13.981 9.495 1.292 747 HB2 LYS 568 HB2 LYS 568 -12.794 7.216 -0.292 748 HB3 LYS 568 HB1 LYS 568 -13.832 8.450 -0.990 749 HG2 LYS 568 HG2 LYS 568 -11.148 8.894 0.302 750 HG3 LYS 568 HG1 LYS 568 -11.511 8.947 -1.420 751 HD2 LYS 568 HD2 LYS 568 -12.612 10.810 0.678 752 HD3 LYS 568 HD1 LYS 568 -11.346 11.195 -0.487 753 HE2 LYS 568 HE2 LYS 568 -12.925 10.851 -2.321 754 HE3 LYS 568 HE1 LYS 568 -14.189 10.444 -1.163 755 HZ1 LYS 568 HZ1 LYS 568 -13.984 12.680 -0.238 756 HZ2 LYS 568 HZ2 LYS 568 -14.405 12.717 -1.873 757 HZ3 LYS 568 HZ3 LYS 568 -12.821 13.065 -1.403 758 H ARG 569 HN ARG 569 -14.171 6.110 1.969 759 HA ARG 569 HA ARG 569 -16.793 5.757 0.841 760 HB2 ARG 569 HB2 ARG 569 -15.100 3.968 2.552 761 HB3 ARG 569 HB1 ARG 569 -16.645 3.512 1.846 762 HG2 ARG 569 HG2 ARG 569 -15.631 4.085 -0.398 763 HG3 ARG 569 HG1 ARG 569 -14.074 4.138 0.442 764 HD2 ARG 569 HD2 ARG 569 -14.495 1.879 1.281 765 HD3 ARG 569 HD1 ARG 569 -15.992 1.838 0.358 766 HE ARG 569 HE ARG 569 -13.774 2.408 -1.324 767 HH11 ARG 569 HH11 ARG 569 -15.376 -0.141 0.441 768 HH12 ARG 569 HH12 ARG 569 -14.785 -1.407 -0.590 769 HH21 ARG 569 HH21 ARG 569 -12.990 0.753 -2.704 770 HH22 ARG 569 HH22 ARG 569 -13.433 -0.905 -2.365 771 H GLU 570 HN GLU 570 -15.788 7.283 3.570 772 HA GLU 570 HA GLU 570 -18.051 6.479 5.196 773 HB2 GLU 570 HB2 GLU 570 -15.961 8.618 5.571 774 HB3 GLU 570 HB1 GLU 570 -17.256 8.286 6.719 775 HG2 GLU 570 HG2 GLU 570 -15.151 6.328 5.845 776 HG3 GLU 570 HG1 GLU 570 -15.158 7.222 7.358 777 H GLN 571 HN GLN 571 -17.890 7.935 2.462 778 HA GLN 571 HA GLN 571 -20.117 9.757 3.010 779 HB2 GLN 571 HB2 GLN 571 -17.969 11.027 2.694 780 HB3 GLN 571 HB1 GLN 571 -17.849 10.331 1.086 781 HG2 GLN 571 HG2 GLN 571 -19.932 11.440 0.452 782 HG3 GLN 571 HG1 GLN 571 -20.046 12.140 2.067 783 HE21 GLN 571 HE21 GLN 571 -17.017 11.744 0.392 784 HE22 GLN 571 HE22 GLN 571 -16.718 13.423 0.124 785 H ARG 572 HN ARG 572 -20.696 7.306 2.357 786 HA ARG 572 HA ARG 572 -20.592 6.705 -0.441 787 HB2 ARG 572 HB2 ARG 572 -22.333 5.459 1.698 788 HB3 ARG 572 HB1 ARG 572 -22.016 4.792 0.104 789 HG2 ARG 572 HG2 ARG 572 -19.655 4.544 0.680 790 HG3 ARG 572 HG1 ARG 572 -19.980 5.213 2.279 791 HD2 ARG 572 HD2 ARG 572 -21.654 3.319 2.564 792 HD3 ARG 572 HD1 ARG 572 -20.932 2.604 1.122 793 HE ARG 572 HE ARG 572 -19.071 3.319 3.228 794 HH11 ARG 572 HH11 ARG 572 -21.022 0.765 1.789 795 HH12 ARG 572 HH12 ARG 572 -20.145 -0.503 2.587 796 HH21 ARG 572 HH21 ARG 572 -17.932 1.634 4.259 797 HH22 ARG 572 HH22 ARG 572 -18.404 -0.016 3.992
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