NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
5891 | 1i5h | 4963 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 450 1HT GLY 450 8.737 -21.462 -13.114 2 2H GLY 450 2HT GLY 450 10.008 -21.128 -14.179 3 3H GLY 450 3HT GLY 450 10.116 -20.653 -12.559 4 1HA GLY 450 1HA GLY 450 10.315 -23.361 -13.712 5 2HA GLY 450 2HA GLY 450 11.445 -22.540 -12.646 6 H SER 451 H SER 451 9.600 -25.092 -12.657 7 HA SER 451 HA SER 451 8.692 -26.419 -11.047 8 1HB SER 451 2HB SER 451 9.501 -24.389 -8.972 9 2HB SER 451 1HB SER 451 9.357 -26.138 -8.800 10 HG SER 451 HG SER 451 11.391 -24.624 -10.002 11 HA PRO 452 HA PRO 452 5.042 -23.460 -11.051 12 1HB PRO 452 2HB PRO 452 3.389 -25.211 -12.359 13 2HB PRO 452 1HB PRO 452 4.386 -24.002 -13.175 14 1HG PRO 452 2HG PRO 452 4.909 -26.918 -12.752 15 2HG PRO 452 1HG PRO 452 5.180 -25.930 -14.200 16 1HD PRO 452 2HD PRO 452 7.193 -26.601 -12.550 17 2HD PRO 452 1HD PRO 452 7.144 -25.025 -13.368 18 H VAL 453 H VAL 453 4.393 -23.537 -8.974 19 HA VAL 453 HA VAL 453 2.617 -25.643 -8.153 20 HB VAL 453 HB VAL 453 3.888 -26.094 -6.016 21 1HG1 VAL 453 1HG1 VAL 453 5.059 -27.906 -6.933 22 2HG1 VAL 453 2HG1 VAL 453 5.398 -27.040 -8.432 23 3HG1 VAL 453 3HG1 VAL 453 3.759 -27.588 -8.082 24 1HG2 VAL 453 1HG2 VAL 453 5.486 -24.062 -6.742 25 2HG2 VAL 453 2HG2 VAL 453 6.423 -25.417 -7.371 26 3HG2 VAL 453 3HG2 VAL 453 5.998 -25.357 -5.660 27 H ASP 454 H ASP 454 1.549 -25.171 -6.117 28 HA ASP 454 HA ASP 454 1.317 -22.297 -5.703 29 1HB ASP 454 2HB ASP 454 -0.653 -23.030 -4.244 30 2HB ASP 454 1HB ASP 454 -0.786 -23.337 -5.973 31 H SER 455 H SER 455 3.715 -23.304 -4.747 32 HA SER 455 HA SER 455 3.557 -23.926 -1.960 33 1HB SER 455 2HB SER 455 5.469 -24.390 -3.727 34 2HB SER 455 1HB SER 455 6.051 -22.817 -3.183 35 HG SER 455 HG SER 455 6.570 -25.025 -2.033 36 H ASN 456 H ASN 456 4.662 -21.048 -3.750 37 HA ASN 456 HA ASN 456 3.722 -19.374 -1.549 38 1HB ASN 456 2HB ASN 456 5.897 -18.041 -1.741 39 2HB ASN 456 1HB ASN 456 5.981 -19.585 -0.897 40 1HD2 ASN 456 1HD2 ASN 456 8.305 -19.148 -1.444 41 2HD2 ASN 456 2HD2 ASN 456 8.888 -19.780 -2.942 42 H ASP 457 H ASP 457 2.198 -19.335 -3.563 43 HA ASP 457 HA ASP 457 2.923 -16.939 -5.098 44 1HB ASP 457 2HB ASP 457 2.152 -19.606 -6.138 45 2HB ASP 457 1HB ASP 457 1.403 -18.218 -6.922 46 H LEU 458 H LEU 458 1.354 -15.439 -5.236 47 HA LEU 458 HA LEU 458 -1.325 -16.183 -4.259 48 1HB LEU 458 2HB LEU 458 0.295 -13.695 -3.767 49 2HB LEU 458 1HB LEU 458 -1.439 -13.742 -3.514 50 HG LEU 458 HG LEU 458 0.623 -15.409 -2.069 51 1HD1 LEU 458 1HD1 LEU 458 -1.205 -13.228 -1.075 52 2HD1 LEU 458 2HD1 LEU 458 0.522 -13.049 -1.388 53 3HD1 LEU 458 3HD1 LEU 458 -0.036 -14.138 -0.118 54 1HD2 LEU 458 1HD2 LEU 458 -2.384 -15.377 -1.844 55 2HD2 LEU 458 2HD2 LEU 458 -1.296 -16.174 -0.707 56 3HD2 LEU 458 3HD2 LEU 458 -1.375 -16.720 -2.383 57 H GLY 459 H GLY 459 0.526 -14.044 -6.386 58 1HA GLY 459 2HA GLY 459 -0.118 -13.616 -8.632 59 2HA GLY 459 1HA GLY 459 -1.780 -13.974 -8.196 60 HA PRO 460 HA PRO 460 -2.203 -9.540 -8.166 61 1HB PRO 460 2HB PRO 460 -4.781 -9.383 -7.410 62 2HB PRO 460 1HB PRO 460 -4.309 -9.942 -9.019 63 1HG PRO 460 2HG PRO 460 -5.126 -11.535 -6.624 64 2HG PRO 460 1HG PRO 460 -5.564 -11.766 -8.325 65 1HD PRO 460 2HD PRO 460 -3.621 -13.208 -7.040 66 2HD PRO 460 1HD PRO 460 -3.640 -12.914 -8.790 67 H LEU 461 H LEU 461 -0.739 -10.270 -6.038 68 HA LEU 461 HA LEU 461 -0.190 -9.741 -3.896 69 1HB LEU 461 2HB LEU 461 -2.366 -7.677 -3.926 70 2HB LEU 461 1HB LEU 461 -0.814 -7.622 -3.111 71 HG LEU 461 HG LEU 461 -1.274 -7.374 -6.084 72 1HD1 LEU 461 1HD1 LEU 461 -1.171 -5.470 -3.909 73 2HD1 LEU 461 2HD1 LEU 461 -1.631 -5.235 -5.596 74 3HD1 LEU 461 3HD1 LEU 461 0.066 -5.148 -5.124 75 1HD2 LEU 461 1HD2 LEU 461 1.358 -6.706 -5.016 76 2HD2 LEU 461 2HD2 LEU 461 0.917 -7.631 -6.451 77 3HD2 LEU 461 3HD2 LEU 461 0.950 -8.417 -4.872 78 HA PRO 462 HA PRO 462 -2.873 -11.650 -0.977 79 1HB PRO 462 2HB PRO 462 -2.439 -9.598 1.069 80 2HB PRO 462 1HB PRO 462 -1.904 -11.276 1.042 81 1HG PRO 462 2HG PRO 462 -0.185 -9.219 0.765 82 2HG PRO 462 1HG PRO 462 0.060 -10.774 -0.050 83 1HD PRO 462 2HD PRO 462 -1.022 -8.205 -1.149 84 2HD PRO 462 1HD PRO 462 0.112 -9.358 -1.888 85 HA PRO 463 HA PRO 463 -6.857 -9.778 -0.604 86 1HB PRO 463 2HB PRO 463 -7.724 -10.344 1.897 87 2HB PRO 463 1HB PRO 463 -7.550 -11.583 0.647 88 1HG PRO 463 2HG PRO 463 -5.695 -10.882 2.892 89 2HG PRO 463 1HG PRO 463 -6.198 -12.482 2.316 90 1HD PRO 463 2HD PRO 463 -3.820 -11.368 1.647 91 2HD PRO 463 1HD PRO 463 -4.704 -12.460 0.562 92 H GLY 464 H GLY 464 -7.580 -7.747 -0.379 93 1HA GLY 464 2HA GLY 464 -8.027 -5.709 0.653 94 2HA GLY 464 1HA GLY 464 -7.095 -6.240 2.042 95 H TRP 465 H TRP 465 -5.049 -6.883 -0.361 96 HA TRP 465 HA TRP 465 -3.643 -4.359 0.002 97 1HB TRP 465 2HB TRP 465 -2.834 -7.081 -0.995 98 2HB TRP 465 1HB TRP 465 -1.791 -5.679 -1.204 99 HD1 TRP 465 HD TRP 465 -3.245 -7.920 1.546 100 HE1 TRP 465 1HE TRP 465 -1.831 -7.595 3.672 101 HE3 TRP 465 3HE TRP 465 -0.305 -4.052 -0.027 102 HZ2 TRP 465 2HZ TRP 465 0.250 -5.914 4.554 103 HZ3 TRP 465 3HZ TRP 465 1.368 -3.137 1.522 104 HH2 TRP 465 HH TRP 465 1.641 -4.050 3.771 105 H GLU 466 H GLU 466 -2.416 -3.501 -1.898 106 HA GLU 466 HA GLU 466 -3.671 -3.901 -4.490 107 1HB GLU 466 2HB GLU 466 -4.554 -1.857 -2.781 108 2HB GLU 466 1HB GLU 466 -3.517 -1.058 -3.953 109 1HG GLU 466 2HG GLU 466 -5.602 -2.968 -4.901 110 2HG GLU 466 1HG GLU 466 -6.064 -1.338 -4.414 111 H GLU 467 H GLU 467 -2.360 -3.294 -6.210 112 HA GLU 467 HA GLU 467 0.399 -2.659 -5.481 113 1HB GLU 467 2HB GLU 467 0.987 -3.361 -7.725 114 2HB GLU 467 1HB GLU 467 -0.038 -4.582 -6.982 115 1HG GLU 467 2HG GLU 467 -1.917 -3.139 -8.215 116 2HG GLU 467 1HG GLU 467 -0.555 -2.810 -9.284 117 H ARG 468 H ARG 468 0.635 -0.506 -5.217 118 HA ARG 468 HA ARG 468 -0.493 1.276 -7.264 119 1HB ARG 468 2HB ARG 468 0.079 1.561 -4.375 120 2HB ARG 468 1HB ARG 468 0.377 2.981 -5.366 121 1HG ARG 468 2HG ARG 468 -2.208 1.585 -5.731 122 2HG ARG 468 1HG ARG 468 -1.970 2.489 -4.234 123 1HD ARG 468 2HD ARG 468 -2.943 4.021 -5.724 124 2HD ARG 468 1HD ARG 468 -1.227 4.425 -5.708 125 HE ARG 468 HE ARG 468 -1.090 3.803 -7.912 126 1HH1 ARG 468 1HH1 ARG 468 -4.105 2.683 -6.577 127 2HH1 ARG 468 2HH1 ARG 468 -4.750 2.193 -8.107 128 1HH2 ARG 468 1HH2 ARG 468 -1.929 3.160 -9.933 129 2HH2 ARG 468 2HH2 ARG 468 -3.513 2.464 -10.016 130 H THR 469 H THR 469 0.774 2.713 -8.376 131 HA THR 469 HA THR 469 3.587 2.037 -8.539 132 HB THR 469 HB THR 469 3.502 3.873 -10.373 133 HG1 THR 469 1HG THR 469 0.739 3.265 -10.355 134 1HG2 THR 469 1HG2 THR 469 3.577 2.032 -11.624 135 2HG2 THR 469 2HG2 THR 469 1.818 1.924 -11.541 136 3HG2 THR 469 3HG2 THR 469 2.810 1.100 -10.338 137 H HIS 470 H HIS 470 5.181 3.116 -7.593 138 HA HIS 470 HA HIS 470 4.622 5.439 -5.998 139 1HB HIS 470 2HB HIS 470 6.259 3.547 -5.440 140 2HB HIS 470 1HB HIS 470 7.358 4.317 -6.581 141 HD2 HIS 470 2HD HIS 470 8.931 6.185 -5.488 142 HE1 HIS 470 1HE HIS 470 6.644 6.839 -1.989 143 HE2 HIS 470 2HE HIS 470 8.699 7.548 -3.295 144 H THR 471 H THR 471 5.837 7.446 -6.147 145 HA THR 471 HA THR 471 5.660 8.666 -8.638 146 HB THR 471 HB THR 471 7.685 9.895 -6.929 147 HG1 THR 471 1HG THR 471 6.559 9.987 -5.089 148 1HG2 THR 471 1HG2 THR 471 5.190 10.609 -8.350 149 2HG2 THR 471 2HG2 THR 471 6.738 11.451 -8.283 150 3HG2 THR 471 3HG2 THR 471 5.602 11.589 -6.942 151 H ASP 472 H ASP 472 8.176 6.709 -7.326 152 HA ASP 472 HA ASP 472 10.176 7.668 -9.201 153 1HB ASP 472 2HB ASP 472 10.174 5.678 -6.956 154 2HB ASP 472 1HB ASP 472 11.482 5.682 -8.134 155 H GLY 473 H GLY 473 7.674 5.376 -9.202 156 1HA GLY 473 2HA GLY 473 7.154 4.319 -11.319 157 2HA GLY 473 1HA GLY 473 8.877 4.080 -11.560 158 H ARG 474 H ARG 474 8.950 3.317 -8.569 159 HA ARG 474 HA ARG 474 8.663 0.492 -9.025 160 1HB ARG 474 2HB ARG 474 9.518 2.139 -6.649 161 2HB ARG 474 1HB ARG 474 9.350 0.391 -6.562 162 1HG ARG 474 2HG ARG 474 11.396 0.160 -7.363 163 2HG ARG 474 1HG ARG 474 10.908 0.978 -8.848 164 1HD ARG 474 2HD ARG 474 11.390 3.145 -7.788 165 2HD ARG 474 1HD ARG 474 11.921 2.302 -6.334 166 HE ARG 474 HE ARG 474 13.452 1.243 -8.326 167 1HH1 ARG 474 1HH1 ARG 474 12.818 4.464 -7.167 168 2HH1 ARG 474 2HH1 ARG 474 14.381 5.070 -7.607 169 1HH2 ARG 474 1HH2 ARG 474 15.513 2.030 -8.912 170 2HH2 ARG 474 2HH2 ARG 474 15.912 3.686 -8.600 171 H VAL 475 H VAL 475 6.868 -0.658 -8.705 172 HA VAL 475 HA VAL 475 4.558 0.555 -7.492 173 HB VAL 475 HB VAL 475 4.382 -0.926 -9.460 174 1HG1 VAL 475 1HG1 VAL 475 4.810 -3.240 -9.395 175 2HG1 VAL 475 2HG1 VAL 475 4.902 -3.270 -7.631 176 3HG1 VAL 475 3HG1 VAL 475 6.180 -2.505 -8.569 177 1HG2 VAL 475 1HG2 VAL 475 2.394 -0.557 -8.225 178 2HG2 VAL 475 2HG2 VAL 475 2.874 -1.671 -6.949 179 3HG2 VAL 475 3HG2 VAL 475 2.434 -2.288 -8.545 180 H PHE 476 H PHE 476 4.366 0.674 -5.359 181 HA PHE 476 HA PHE 476 5.551 -1.377 -3.660 182 1HB PHE 476 2HB PHE 476 5.090 0.138 -1.811 183 2HB PHE 476 1HB PHE 476 5.911 1.003 -3.106 184 HD1 PHE 476 1HD PHE 476 4.776 2.706 -4.381 185 HD2 PHE 476 2HD PHE 476 2.773 0.578 -1.290 186 HE1 PHE 476 1HE PHE 476 2.972 4.379 -4.405 187 HE2 PHE 476 2HE PHE 476 0.964 2.246 -1.307 188 HZ PHE 476 HZ PHE 476 1.062 4.150 -2.866 189 H PHE 477 H PHE 477 4.119 -1.803 -1.581 190 HA PHE 477 HA PHE 477 1.519 -2.747 -2.581 191 1HB PHE 477 2HB PHE 477 3.146 -3.745 -0.236 192 2HB PHE 477 1HB PHE 477 1.614 -4.418 -0.778 193 HD1 PHE 477 1HD PHE 477 1.621 -6.193 -2.248 194 HD2 PHE 477 2HD PHE 477 5.048 -3.683 -2.012 195 HE1 PHE 477 1HE PHE 477 2.825 -7.703 -3.773 196 HE2 PHE 477 2HE PHE 477 6.259 -5.186 -3.539 197 HZ PHE 477 HZ PHE 477 5.148 -7.199 -4.420 198 H ILE 478 H ILE 478 -0.360 -2.482 -1.334 199 HA ILE 478 HA ILE 478 -0.185 -0.839 1.075 200 HB ILE 478 HB ILE 478 -0.425 0.813 -0.682 201 1HG1 ILE 478 2HG1 ILE 478 -2.914 0.318 0.942 202 2HG1 ILE 478 1HG1 ILE 478 -1.604 1.437 1.275 203 1HG2 ILE 478 1HG2 ILE 478 -1.291 -0.532 -2.451 204 2HG2 ILE 478 2HG2 ILE 478 -2.388 0.819 -2.176 205 3HG2 ILE 478 3HG2 ILE 478 -2.800 -0.785 -1.576 206 1HD1 ILE 478 1HD1 ILE 478 -4.049 1.935 -0.053 207 2HD1 ILE 478 2HD1 ILE 478 -2.750 2.153 -1.226 208 3HD1 ILE 478 3HD1 ILE 478 -2.735 3.063 0.286 209 H ASN 479 H ASN 479 -1.576 -1.558 2.582 210 HA ASN 479 HA ASN 479 -3.606 -3.487 1.755 211 1HB ASN 479 2HB ASN 479 -3.638 -4.261 3.991 212 2HB ASN 479 1HB ASN 479 -1.946 -3.952 3.628 213 1HD2 ASN 479 1HD2 ASN 479 -2.889 -4.147 6.207 214 2HD2 ASN 479 2HD2 ASN 479 -2.772 -2.604 6.973 215 H HIS 480 H HIS 480 -5.793 -3.337 2.418 216 HA HIS 480 HA HIS 480 -6.651 -0.570 2.928 217 1HB HIS 480 2HB HIS 480 -7.857 -2.812 1.350 218 2HB HIS 480 1HB HIS 480 -8.890 -1.539 1.990 219 HD2 HIS 480 2HD HIS 480 -5.370 -0.757 0.481 220 HE1 HIS 480 1HE HIS 480 -8.377 0.845 -2.029 221 HE2 HIS 480 2HE HIS 480 -5.879 0.564 -1.692 222 H ASN 481 H ASN 481 -6.001 -2.916 4.848 223 HA ASN 481 HA ASN 481 -8.573 -3.275 6.158 224 1HB ASN 481 2HB ASN 481 -5.967 -4.180 7.336 225 2HB ASN 481 1HB ASN 481 -7.563 -4.909 7.476 226 1HD2 ASN 481 1HD2 ASN 481 -4.712 -4.602 5.558 227 2HD2 ASN 481 2HD2 ASN 481 -5.066 -5.868 4.442 228 H ILE 482 H ILE 482 -5.426 -1.798 6.847 229 HA ILE 482 HA ILE 482 -6.758 -0.069 8.820 230 HB ILE 482 HB ILE 482 -4.474 -0.090 10.030 231 1HG1 ILE 482 2HG1 ILE 482 -4.327 -2.653 8.432 232 2HG1 ILE 482 1HG1 ILE 482 -3.181 -1.317 8.403 233 1HG2 ILE 482 1HG2 ILE 482 -5.693 -2.715 10.490 234 2HG2 ILE 482 2HG2 ILE 482 -6.833 -1.369 10.468 235 3HG2 ILE 482 3HG2 ILE 482 -5.472 -1.354 11.590 236 1HD1 ILE 482 1HD1 ILE 482 -3.695 -3.207 10.685 237 2HD1 ILE 482 2HD1 ILE 482 -2.634 -1.801 10.765 238 3HD1 ILE 482 3HD1 ILE 482 -2.257 -3.129 9.667 239 H LYS 483 H LYS 483 -5.959 0.242 5.969 240 HA LYS 483 HA LYS 483 -4.820 1.659 4.577 241 1HB LYS 483 2HB LYS 483 -5.065 3.770 6.677 242 2HB LYS 483 1HB LYS 483 -5.370 3.873 4.949 243 1HG LYS 483 2HG LYS 483 -7.130 2.731 7.092 244 2HG LYS 483 1HG LYS 483 -7.474 4.042 5.961 245 1HD LYS 483 2HD LYS 483 -6.921 1.910 4.304 246 2HD LYS 483 1HD LYS 483 -7.795 1.161 5.643 247 1HE LYS 483 2HE LYS 483 -9.482 3.075 5.343 248 2HE LYS 483 1HE LYS 483 -8.701 3.336 3.784 249 1HZ LYS 483 1HZ LYS 483 -10.727 1.823 3.852 250 2HZ LYS 483 2HZ LYS 483 -9.716 0.674 4.571 251 3HZ LYS 483 3HZ LYS 483 -9.368 1.255 3.020 252 H LYS 484 H LYS 484 -2.798 0.463 4.948 253 HA LYS 484 HA LYS 484 -0.718 2.289 5.816 254 1HB LYS 484 2HB LYS 484 -1.587 0.493 7.658 255 2HB LYS 484 1HB LYS 484 -0.321 -0.436 6.871 256 1HG LYS 484 2HG LYS 484 1.062 1.774 7.237 257 2HG LYS 484 1HG LYS 484 -0.126 2.028 8.518 258 1HD LYS 484 2HD LYS 484 0.848 0.508 9.825 259 2HD LYS 484 1HD LYS 484 0.870 -0.686 8.526 260 1HE LYS 484 2HE LYS 484 2.958 0.017 7.755 261 2HE LYS 484 1HE LYS 484 2.848 1.565 8.591 262 1HZ LYS 484 1HZ LYS 484 2.737 -0.159 10.635 263 2HZ LYS 484 2HZ LYS 484 4.166 0.553 10.075 264 3HZ LYS 484 3HZ LYS 484 3.744 -1.006 9.570 265 H THR 485 H THR 485 0.624 2.344 4.157 266 HA THR 485 HA THR 485 0.927 -0.008 2.445 267 HB THR 485 HB THR 485 0.474 1.999 1.220 268 HG1 THR 485 1HG THR 485 3.277 1.696 0.936 269 1HG2 THR 485 1HG2 THR 485 2.281 3.865 1.361 270 2HG2 THR 485 2HG2 THR 485 2.626 3.168 2.944 271 3HG2 THR 485 3HG2 THR 485 1.016 3.793 2.587 272 H GLN 486 H GLN 486 3.217 -0.326 1.540 273 HA GLN 486 HA GLN 486 5.395 0.378 3.290 274 1HB GLN 486 2HB GLN 486 5.967 -2.100 3.622 275 2HB GLN 486 1HB GLN 486 4.683 -1.425 4.617 276 1HG GLN 486 2HG GLN 486 3.017 -2.519 3.433 277 2HG GLN 486 1HG GLN 486 4.059 -2.787 2.035 278 1HE2 GLN 486 1HE2 GLN 486 5.316 -4.559 1.942 279 2HE2 GLN 486 2HE2 GLN 486 5.309 -5.810 3.128 280 H TRP 487 H TRP 487 7.424 -0.035 2.384 281 HA TRP 487 HA TRP 487 7.472 -0.166 -0.465 282 1HB TRP 487 2HB TRP 487 9.386 0.361 1.699 283 2HB TRP 487 1HB TRP 487 10.092 -0.448 0.304 284 HD1 TRP 487 HD TRP 487 9.720 2.879 1.537 285 HE1 TRP 487 1HE TRP 487 9.714 4.633 -0.346 286 HE3 TRP 487 3HE TRP 487 8.851 -0.207 -2.446 287 HZ2 TRP 487 2HZ TRP 487 9.385 4.700 -3.147 288 HZ3 TRP 487 3HZ TRP 487 8.704 0.782 -4.694 289 HH2 TRP 487 HH TRP 487 8.966 3.186 -5.035 290 H GLU 488 H GLU 488 8.445 -2.366 2.135 291 HA GLU 488 HA GLU 488 9.609 -4.350 0.530 292 1HB GLU 488 2HB GLU 488 8.495 -4.237 3.286 293 2HB GLU 488 1HB GLU 488 8.747 -5.826 2.578 294 1HG GLU 488 2HG GLU 488 10.790 -5.616 3.467 295 2HG GLU 488 1HG GLU 488 11.112 -4.676 2.010 296 H ASP 489 H ASP 489 8.631 -6.670 0.525 297 HA ASP 489 HA ASP 489 5.957 -6.451 -0.673 298 1HB ASP 489 2HB ASP 489 7.983 -8.665 -1.032 299 2HB ASP 489 1HB ASP 489 6.490 -8.443 -1.939 300 HA PRO 490 HA PRO 490 4.746 -8.763 3.013 301 1HB PRO 490 2HB PRO 490 2.083 -8.515 2.691 302 2HB PRO 490 1HB PRO 490 3.089 -7.185 3.276 303 1HG PRO 490 2HG PRO 490 2.003 -7.674 0.531 304 2HG PRO 490 1HG PRO 490 2.096 -6.157 1.444 305 1HD PRO 490 2HD PRO 490 3.877 -6.858 -0.504 306 2HD PRO 490 1HD PRO 490 4.284 -5.799 0.858 307 H ARG 491 H ARG 491 3.465 -9.285 -0.241 308 HA ARG 491 HA ARG 491 2.377 -11.863 0.335 309 1HB ARG 491 2HB ARG 491 2.357 -12.039 -2.222 310 2HB ARG 491 1HB ARG 491 1.380 -10.776 -1.488 311 1HG ARG 491 2HG ARG 491 2.740 -9.091 -2.247 312 2HG ARG 491 1HG ARG 491 4.157 -10.137 -2.351 313 1HD ARG 491 2HD ARG 491 1.766 -10.144 -4.188 314 2HD ARG 491 1HD ARG 491 3.389 -9.573 -4.573 315 HE ARG 491 HE ARG 491 3.671 -12.202 -3.793 316 1HH1 ARG 491 1HH1 ARG 491 1.986 -10.456 -6.292 317 2HH1 ARG 491 2HH1 ARG 491 2.049 -11.762 -7.427 318 1HH2 ARG 491 1HH2 ARG 491 3.759 -13.930 -5.282 319 2HH2 ARG 491 2HH2 ARG 491 3.055 -13.738 -6.852 320 H MET 492 H MET 492 5.521 -10.693 -0.432 321 HA MET 492 HA MET 492 6.498 -13.240 -1.397 322 1HB MET 492 2HB MET 492 7.323 -10.610 -1.688 323 2HB MET 492 1HB MET 492 8.527 -11.300 -0.609 324 1HG MET 492 2HG MET 492 9.548 -12.139 -2.378 325 2HG MET 492 1HG MET 492 8.160 -13.197 -2.623 326 1HE MET 492 1HE MET 492 9.883 -12.458 -5.226 327 2HE MET 492 2HE MET 492 10.484 -11.123 -4.244 328 3HE MET 492 3HE MET 492 9.703 -10.797 -5.791 329 H GLN 493 H GLN 493 6.598 -11.340 1.563 330 HA GLN 493 HA GLN 493 8.445 -13.080 2.895 331 1HB GLN 493 2HB GLN 493 6.677 -10.820 3.798 332 2HB GLN 493 1HB GLN 493 7.583 -11.789 4.952 333 1HG GLN 493 2HG GLN 493 8.823 -10.301 2.651 334 2HG GLN 493 1HG GLN 493 8.697 -9.674 4.294 335 1HE2 GLN 493 1HE2 GLN 493 10.274 -11.929 2.196 336 2HE2 GLN 493 2HE2 GLN 493 11.520 -12.402 3.294 337 H ASN 494 H ASN 494 7.251 -15.076 2.348 338 HA ASN 494 HA ASN 494 5.717 -15.950 4.597 339 1HB ASN 494 2HB ASN 494 3.755 -16.705 3.163 340 2HB ASN 494 1HB ASN 494 3.848 -14.980 3.504 341 1HD2 ASN 494 1HD2 ASN 494 2.331 -15.818 1.443 342 2HD2 ASN 494 2HD2 ASN 494 3.067 -15.394 -0.063 343 H VAL 495 H VAL 495 5.942 -18.099 4.897 344 HA VAL 495 HA VAL 495 6.456 -19.904 2.716 345 HB VAL 495 HB VAL 495 8.701 -18.894 3.100 346 1HG1 VAL 495 1HG1 VAL 495 9.438 -18.539 5.162 347 2HG1 VAL 495 2HG1 VAL 495 9.471 -20.279 5.442 348 3HG1 VAL 495 3HG1 VAL 495 8.022 -19.352 5.827 349 1HG2 VAL 495 1HG2 VAL 495 8.101 -21.412 2.497 350 2HG2 VAL 495 2HG2 VAL 495 8.969 -21.707 4.003 351 3HG2 VAL 495 3HG2 VAL 495 9.766 -20.860 2.676 352 H ALA 496 H ALA 496 4.528 -19.630 4.849 353 HA ALA 496 HA ALA 496 4.466 -22.327 5.740 354 1HB ALA 496 1HB ALA 496 6.059 -20.829 7.331 355 2HB ALA 496 2HB ALA 496 5.145 -22.233 7.885 356 3HB ALA 496 3HB ALA 496 4.502 -20.608 8.128 357 H ILE 497 H ILE 497 2.475 -22.881 6.739 358 HA ILE 497 HA ILE 497 0.501 -20.844 7.257 359 HB ILE 497 HB ILE 497 -1.138 -21.746 5.609 360 1HG1 ILE 497 2HG1 ILE 497 0.311 -22.806 3.577 361 2HG1 ILE 497 1HG1 ILE 497 1.201 -23.439 4.959 362 1HG2 ILE 497 1HG2 ILE 497 -0.472 -20.318 3.913 363 2HG2 ILE 497 2HG2 ILE 497 1.235 -20.724 4.101 364 3HG2 ILE 497 3HG2 ILE 497 0.432 -19.709 5.300 365 1HD1 ILE 497 1HD1 ILE 497 -0.792 -24.481 5.823 366 2HD1 ILE 497 2HD1 ILE 497 -0.538 -24.979 4.150 367 3HD1 ILE 497 3HD1 ILE 497 -1.762 -23.767 4.534 368 H THR 498 H THR 498 -1.765 -22.095 7.462 369 HA THR 498 HA THR 498 -1.254 -24.619 8.892 370 HB THR 498 HB THR 498 -1.570 -23.157 10.684 371 HG1 THR 498 1HG THR 498 -3.532 -23.818 11.527 372 1HG2 THR 498 1HG2 THR 498 -2.239 -21.087 10.122 373 2HG2 THR 498 2HG2 THR 498 -3.870 -21.694 10.402 374 3HG2 THR 498 3HG2 THR 498 -3.208 -21.668 8.767 375 H GLY 499 H GLY 499 -2.579 -26.256 8.383 376 1HA GLY 499 2HA GLY 499 -5.170 -25.649 7.140 377 2HA GLY 499 1HA GLY 499 -4.043 -26.683 6.276 378 1H GLY 605 1HT GLY 605 20.840 16.661 -8.025 379 2H GLY 605 2HT GLY 605 20.949 18.310 -7.662 380 3H GLY 605 3HT GLY 605 19.627 17.410 -7.114 381 1HA GLY 605 1HA GLY 605 22.302 16.543 -6.306 382 2HA GLY 605 2HA GLY 605 21.640 17.980 -5.543 383 H SER 606 H SER 606 20.143 14.926 -6.593 384 HA SER 606 HA SER 606 18.662 14.772 -4.120 385 1HB SER 606 2HB SER 606 17.918 14.065 -6.539 386 2HB SER 606 1HB SER 606 18.723 12.551 -6.132 387 HG SER 606 HG SER 606 16.545 13.782 -4.805 388 H THR 607 H THR 607 20.650 12.343 -5.809 389 HA THR 607 HA THR 607 22.178 10.834 -5.049 390 HB THR 607 HB THR 607 22.386 11.844 -2.294 391 HG1 THR 607 1HG THR 607 22.728 13.879 -2.773 392 1HG2 THR 607 1HG2 THR 607 24.106 10.868 -4.476 393 2HG2 THR 607 2HG2 THR 607 24.218 10.600 -2.736 394 3HG2 THR 607 3HG2 THR 607 24.827 12.099 -3.439 395 H LEU 608 H LEU 608 20.478 11.620 -2.015 396 HA LEU 608 HA LEU 608 20.230 9.010 -1.113 397 1HB LEU 608 2HB LEU 608 19.877 10.840 0.381 398 2HB LEU 608 1HB LEU 608 18.539 11.444 -0.580 399 HG LEU 608 HG LEU 608 17.993 8.749 0.275 400 1HD1 LEU 608 1HD1 LEU 608 19.019 10.655 2.326 401 2HD1 LEU 608 2HD1 LEU 608 19.236 8.909 2.201 402 3HD1 LEU 608 3HD1 LEU 608 17.691 9.569 2.737 403 1HD2 LEU 608 1HD2 LEU 608 16.574 11.165 1.293 404 2HD2 LEU 608 2HD2 LEU 608 15.922 9.618 0.751 405 3HD2 LEU 608 3HD2 LEU 608 16.507 10.790 -0.430 406 HA PRO 609 HA PRO 609 17.035 7.784 -4.079 407 1HB PRO 609 2HB PRO 609 17.519 5.159 -4.035 408 2HB PRO 609 1HB PRO 609 18.621 6.277 -4.850 409 1HG PRO 609 2HG PRO 609 18.881 4.971 -2.174 410 2HG PRO 609 1HG PRO 609 20.121 5.257 -3.407 411 1HD PRO 609 2HD PRO 609 19.716 6.836 -1.166 412 2HD PRO 609 1HD PRO 609 20.549 7.359 -2.642 413 H ILE 610 H ILE 610 17.638 6.251 -0.940 414 HA ILE 610 HA ILE 610 14.729 5.903 -0.633 415 HB ILE 610 HB ILE 610 16.799 4.085 0.593 416 1HG1 ILE 610 2HG1 ILE 610 15.047 3.390 -1.759 417 2HG1 ILE 610 1HG1 ILE 610 16.664 4.053 -1.971 418 1HG2 ILE 610 1HG2 ILE 610 13.930 3.391 0.165 419 2HG2 ILE 610 2HG2 ILE 610 14.380 4.428 1.520 420 3HG2 ILE 610 3HG2 ILE 610 15.060 2.807 1.386 421 1HD1 ILE 610 1HD1 ILE 610 17.519 2.032 -1.756 422 2HD1 ILE 610 2HD1 ILE 610 15.900 1.369 -1.531 423 3HD1 ILE 610 3HD1 ILE 610 16.836 1.903 -0.136 424 HA PRO 611 HA PRO 611 15.888 8.695 2.777 425 1HB PRO 611 2HB PRO 611 13.316 9.402 3.363 426 2HB PRO 611 1HB PRO 611 14.274 10.168 2.091 427 1HG PRO 611 2HG PRO 611 12.201 8.023 1.869 428 2HG PRO 611 1HG PRO 611 12.458 9.443 0.838 429 1HD PRO 611 2HD PRO 611 13.289 6.980 0.119 430 2HD PRO 611 1HD PRO 611 14.190 8.445 -0.321 431 H GLY 612 H GLY 612 13.110 6.457 2.886 432 1HA GLY 612 2HA GLY 612 13.606 4.615 4.612 433 2HA GLY 612 1HA GLY 612 13.709 5.968 5.728 434 H THR 613 H THR 613 11.546 7.454 4.470 435 HA THR 613 HA THR 613 9.375 6.325 5.919 436 HB THR 613 HB THR 613 8.057 8.187 5.131 437 HG1 THR 613 1HG THR 613 10.211 8.870 3.400 438 1HG2 THR 613 1HG2 THR 613 10.615 9.618 5.361 439 2HG2 THR 613 2HG2 THR 613 10.309 8.434 6.633 440 3HG2 THR 613 3HG2 THR 613 9.157 9.737 6.345 441 HA PRO 614 HA PRO 614 7.661 3.633 2.852 442 1HB PRO 614 2HB PRO 614 5.062 3.621 3.696 443 2HB PRO 614 1HB PRO 614 6.350 2.705 4.486 444 1HG PRO 614 2HG PRO 614 5.164 5.347 5.242 445 2HG PRO 614 1HG PRO 614 5.611 3.981 6.281 446 1HD PRO 614 2HD PRO 614 7.174 6.164 6.033 447 2HD PRO 614 1HD PRO 614 7.853 4.539 6.266 448 HA PRO 615 HA PRO 615 5.813 5.830 -0.482 449 1HB PRO 615 2HB PRO 615 3.519 3.934 -0.448 450 2HB PRO 615 1HB PRO 615 4.599 4.373 -1.776 451 1HG PRO 615 2HG PRO 615 4.847 2.025 -0.547 452 2HG PRO 615 1HG PRO 615 6.276 2.939 -1.064 453 1HD PRO 615 2HD PRO 615 5.116 2.616 1.671 454 2HD PRO 615 1HD PRO 615 6.816 2.702 1.169 455 HA PRO 616 HA PRO 616 2.488 8.521 0.611 456 1HB PRO 616 2HB PRO 616 0.724 7.651 -1.594 457 2HB PRO 616 1HB PRO 616 1.438 9.237 -1.283 458 1HG PRO 616 2HG PRO 616 2.317 7.686 -3.279 459 2HG PRO 616 1HG PRO 616 3.428 8.696 -2.333 460 1HD PRO 616 2HD PRO 616 2.906 5.751 -2.135 461 2HD PRO 616 1HD PRO 616 4.447 6.631 -2.048 462 H ASN 617 H ASN 617 1.131 8.306 2.268 463 HA ASN 617 HA ASN 617 -0.115 5.907 2.999 464 1HB ASN 617 2HB ASN 617 0.421 7.943 4.463 465 2HB ASN 617 1HB ASN 617 -1.085 8.629 3.860 466 1HD2 ASN 617 1HD2 ASN 617 0.040 5.494 5.098 467 2HD2 ASN 617 2HD2 ASN 617 -1.282 5.259 6.185 468 H TYR 618 H TYR 618 -2.333 5.311 3.028 469 HA TYR 618 HA TYR 618 -3.687 5.736 0.601 470 1HB TYR 618 2HB TYR 618 -3.963 3.716 2.002 471 2HB TYR 618 1HB TYR 618 -4.809 4.683 3.205 472 HD1 TYR 618 1HD TYR 618 -4.999 4.020 -0.474 473 HD2 TYR 618 2HD TYR 618 -7.107 4.562 3.181 474 HE1 TYR 618 1HE TYR 618 -7.121 3.601 -1.643 475 HE2 TYR 618 2HE TYR 618 -9.236 4.143 2.022 476 HH TYR 618 HH TYR 618 -10.051 4.393 -0.474 477 H ASP 619 H ASP 619 -3.966 7.263 3.749 478 HA ASP 619 HA ASP 619 -6.407 8.602 3.321 479 1HB ASP 619 2HB ASP 619 -4.160 8.803 5.234 480 2HB ASP 619 1HB ASP 619 -5.127 10.261 5.035 481 H SER 620 H SER 620 -3.136 9.295 2.346 482 HA SER 620 HA SER 620 -3.819 11.989 1.481 483 1HB SER 620 2HB SER 620 -1.482 10.876 2.415 484 2HB SER 620 1HB SER 620 -1.201 10.943 0.675 485 HG SER 620 HG SER 620 -0.760 12.962 1.033 486 H LEU 621 H LEU 621 -3.668 8.809 0.195 487 HA LEU 621 HA LEU 621 -3.169 9.499 -2.524 488 1HB LEU 621 2HB LEU 621 -3.922 7.088 -1.010 489 2HB LEU 621 1HB LEU 621 -4.498 7.130 -2.665 490 HG LEU 621 HG LEU 621 -1.629 7.300 -1.750 491 1HD1 LEU 621 1HD1 LEU 621 -1.539 5.107 -2.070 492 2HD1 LEU 621 2HD1 LEU 621 -2.251 5.263 -3.676 493 3HD1 LEU 621 3HD1 LEU 621 -3.293 5.110 -2.260 494 1HD2 LEU 621 1HD2 LEU 621 -1.622 8.689 -3.598 495 2HD2 LEU 621 2HD2 LEU 621 -2.908 7.791 -4.407 496 3HD2 LEU 621 3HD2 LEU 621 -1.282 7.113 -4.314 Start of MODEL 2 1 1H GLY 450 1HT GLY 450 3.677 -28.413 5.355 2 2H GLY 450 2HT GLY 450 3.121 -28.057 6.913 3 3H GLY 450 3HT GLY 450 3.245 -26.827 5.757 4 1HA GLY 450 1HA GLY 450 1.073 -28.545 6.287 5 2HA GLY 450 2HA GLY 450 1.145 -27.164 5.203 6 H SER 451 H SER 451 0.541 -27.668 3.216 7 HA SER 451 HA SER 451 1.729 -29.880 1.819 8 1HB SER 451 2HB SER 451 -1.258 -29.990 1.847 9 2HB SER 451 1HB SER 451 -0.090 -31.279 1.553 10 HG SER 451 HG SER 451 -1.287 -31.218 3.658 11 HA PRO 452 HA PRO 452 1.291 -27.305 -1.720 12 1HB PRO 452 2HB PRO 452 0.157 -29.696 -3.100 13 2HB PRO 452 1HB PRO 452 1.483 -28.637 -3.591 14 1HG PRO 452 2HG PRO 452 1.980 -31.055 -2.599 15 2HG PRO 452 1HG PRO 452 3.009 -29.671 -2.184 16 1HD PRO 452 2HD PRO 452 0.926 -31.045 -0.551 17 2HD PRO 452 1HD PRO 452 2.453 -30.299 -0.040 18 H VAL 453 H VAL 453 -0.378 -25.939 -1.077 19 HA VAL 453 HA VAL 453 -2.867 -26.299 -2.467 20 HB VAL 453 HB VAL 453 -4.257 -25.937 -0.386 21 1HG1 VAL 453 1HG1 VAL 453 -3.995 -28.109 -1.640 22 2HG1 VAL 453 2HG1 VAL 453 -4.488 -28.255 0.047 23 3HG1 VAL 453 3HG1 VAL 453 -2.816 -28.579 -0.415 24 1HG2 VAL 453 1HG2 VAL 453 -1.673 -25.895 0.809 25 2HG2 VAL 453 2HG2 VAL 453 -2.570 -27.268 1.457 26 3HG2 VAL 453 3HG2 VAL 453 -3.246 -25.643 1.567 27 H ASP 454 H ASP 454 -1.512 -24.378 -3.255 28 HA ASP 454 HA ASP 454 -1.179 -22.130 -3.445 29 1HB ASP 454 2HB ASP 454 -3.803 -22.506 -3.385 30 2HB ASP 454 1HB ASP 454 -3.666 -21.602 -1.879 31 H SER 455 H SER 455 0.024 -23.374 -1.171 32 HA SER 455 HA SER 455 -0.340 -21.734 1.139 33 1HB SER 455 2HB SER 455 1.790 -22.873 1.906 34 2HB SER 455 1HB SER 455 0.461 -23.958 1.496 35 HG SER 455 HG SER 455 2.835 -23.434 0.082 36 H ASN 456 H ASN 456 2.079 -21.879 -1.451 37 HA ASN 456 HA ASN 456 3.069 -19.256 -0.544 38 1HB ASN 456 2HB ASN 456 5.224 -19.876 -1.655 39 2HB ASN 456 1HB ASN 456 4.815 -20.888 -0.273 40 1HD2 ASN 456 1HD2 ASN 456 6.608 -21.969 -1.771 41 2HD2 ASN 456 2HD2 ASN 456 5.978 -23.196 -2.811 42 H ASP 457 H ASP 457 0.841 -19.766 -2.349 43 HA ASP 457 HA ASP 457 1.940 -18.634 -4.838 44 1HB ASP 457 2HB ASP 457 -0.368 -20.480 -4.331 45 2HB ASP 457 1HB ASP 457 -0.379 -19.432 -5.748 46 H LEU 458 H LEU 458 1.196 -16.717 -5.556 47 HA LEU 458 HA LEU 458 -1.265 -15.586 -4.557 48 1HB LEU 458 2HB LEU 458 1.424 -14.528 -3.755 49 2HB LEU 458 1HB LEU 458 0.048 -13.452 -3.888 50 HG LEU 458 HG LEU 458 0.193 -15.863 -2.079 51 1HD1 LEU 458 1HD1 LEU 458 1.683 -14.177 -1.267 52 2HD1 LEU 458 2HD1 LEU 458 0.225 -14.149 -0.276 53 3HD1 LEU 458 3HD1 LEU 458 0.472 -12.918 -1.514 54 1HD2 LEU 458 1HD2 LEU 458 -2.050 -15.677 -2.320 55 2HD2 LEU 458 2HD2 LEU 458 -1.966 -13.993 -2.839 56 3HD2 LEU 458 3HD2 LEU 458 -1.832 -14.397 -1.127 57 H GLY 459 H GLY 459 -2.186 -14.379 -6.084 58 1HA GLY 459 2HA GLY 459 -0.577 -13.706 -8.447 59 2HA GLY 459 1HA GLY 459 -2.328 -13.837 -8.401 60 HA PRO 460 HA PRO 460 -2.334 -9.403 -8.253 61 1HB PRO 460 2HB PRO 460 -4.906 -8.998 -7.502 62 2HB PRO 460 1HB PRO 460 -4.458 -9.518 -9.131 63 1HG PRO 460 2HG PRO 460 -5.449 -11.156 -6.826 64 2HG PRO 460 1HG PRO 460 -5.915 -11.234 -8.536 65 1HD PRO 460 2HD PRO 460 -4.166 -12.976 -7.420 66 2HD PRO 460 1HD PRO 460 -4.053 -12.465 -9.116 67 H LEU 461 H LEU 461 -0.953 -10.201 -6.143 68 HA LEU 461 HA LEU 461 -0.377 -9.720 -3.997 69 1HB LEU 461 2HB LEU 461 -2.432 -7.543 -4.395 70 2HB LEU 461 1HB LEU 461 -1.346 -7.636 -3.022 71 HG LEU 461 HG LEU 461 -0.662 -7.075 -5.897 72 1HD1 LEU 461 1HD1 LEU 461 -1.334 -5.186 -4.496 73 2HD1 LEU 461 2HD1 LEU 461 0.368 -5.084 -4.950 74 3HD1 LEU 461 3HD1 LEU 461 -0.081 -5.608 -3.328 75 1HD2 LEU 461 1HD2 LEU 461 1.009 -8.621 -5.311 76 2HD2 LEU 461 2HD2 LEU 461 1.140 -7.985 -3.672 77 3HD2 LEU 461 3HD2 LEU 461 1.732 -7.036 -5.035 78 HA PRO 462 HA PRO 462 -3.116 -11.682 -1.170 79 1HB PRO 462 2HB PRO 462 -2.586 -9.760 0.977 80 2HB PRO 462 1HB PRO 462 -2.127 -11.456 0.859 81 1HG PRO 462 2HG PRO 462 -0.319 -9.464 0.678 82 2HG PRO 462 1HG PRO 462 -0.147 -10.988 -0.212 83 1HD PRO 462 2HD PRO 462 -1.104 -8.321 -1.185 84 2HD PRO 462 1HD PRO 462 -0.038 -9.495 -1.986 85 HA PRO 463 HA PRO 463 -7.030 -9.703 -0.694 86 1HB PRO 463 2HB PRO 463 -7.900 -10.411 1.778 87 2HB PRO 463 1HB PRO 463 -7.810 -11.550 0.430 88 1HG PRO 463 2HG PRO 463 -5.896 -11.141 2.696 89 2HG PRO 463 1HG PRO 463 -6.485 -12.656 1.988 90 1HD PRO 463 2HD PRO 463 -4.060 -11.613 1.388 91 2HD PRO 463 1HD PRO 463 -5.012 -12.549 0.218 92 H GLY 464 H GLY 464 -7.495 -7.611 -0.432 93 1HA GLY 464 2HA GLY 464 -7.925 -5.666 0.825 94 2HA GLY 464 1HA GLY 464 -6.938 -6.314 2.124 95 H TRP 465 H TRP 465 -4.962 -6.918 -0.263 96 HA TRP 465 HA TRP 465 -3.519 -4.409 0.064 97 1HB TRP 465 2HB TRP 465 -2.773 -7.153 -0.913 98 2HB TRP 465 1HB TRP 465 -1.713 -5.775 -1.178 99 HD1 TRP 465 HD TRP 465 -3.048 -8.012 1.612 100 HE1 TRP 465 1HE TRP 465 -1.591 -7.649 3.701 101 HE3 TRP 465 3HE TRP 465 -0.273 -4.047 -0.023 102 HZ2 TRP 465 2HZ TRP 465 0.458 -5.911 4.537 103 HZ3 TRP 465 3HZ TRP 465 1.417 -3.088 1.491 104 HH2 TRP 465 HH TRP 465 1.769 -4.005 3.729 105 H GLU 466 H GLU 466 -2.344 -3.527 -1.834 106 HA GLU 466 HA GLU 466 -3.580 -3.966 -4.425 107 1HB GLU 466 2HB GLU 466 -4.308 -1.774 -2.679 108 2HB GLU 466 1HB GLU 466 -3.613 -1.179 -4.179 109 1HG GLU 466 2HG GLU 466 -5.722 -3.279 -4.287 110 2HG GLU 466 1HG GLU 466 -6.179 -1.608 -3.966 111 H GLU 467 H GLU 467 -2.279 -3.365 -6.129 112 HA GLU 467 HA GLU 467 0.448 -2.595 -5.416 113 1HB GLU 467 2HB GLU 467 1.067 -3.366 -7.633 114 2HB GLU 467 1HB GLU 467 0.109 -4.596 -6.820 115 1HG GLU 467 2HG GLU 467 -1.874 -3.443 -8.084 116 2HG GLU 467 1HG GLU 467 -0.585 -2.879 -9.147 117 H ARG 468 H ARG 468 0.618 -0.422 -5.256 118 HA ARG 468 HA ARG 468 -0.513 1.216 -7.425 119 1HB ARG 468 2HB ARG 468 0.055 1.755 -4.539 120 2HB ARG 468 1HB ARG 468 0.097 3.094 -5.676 121 1HG ARG 468 2HG ARG 468 -2.270 1.351 -5.839 122 2HG ARG 468 1HG ARG 468 -2.108 2.305 -4.362 123 1HD ARG 468 2HD ARG 468 -3.253 3.780 -5.690 124 2HD ARG 468 1HD ARG 468 -1.592 4.244 -6.053 125 HE ARG 468 HE ARG 468 -1.922 3.556 -8.204 126 1HH1 ARG 468 1HH1 ARG 468 -4.354 2.105 -6.178 127 2HH1 ARG 468 2HH1 ARG 468 -5.237 1.424 -7.504 128 1HH2 ARG 468 1HH2 ARG 468 -3.078 2.662 -9.958 129 2HH2 ARG 468 2HH2 ARG 468 -4.512 1.739 -9.651 130 H THR 469 H THR 469 0.776 2.894 -8.347 131 HA THR 469 HA THR 469 3.596 2.176 -8.475 132 HB THR 469 HB THR 469 3.723 3.700 -10.385 133 HG1 THR 469 1HG THR 469 2.171 5.104 -10.799 134 1HG2 THR 469 1HG2 THR 469 3.139 1.750 -11.354 135 2HG2 THR 469 2HG2 THR 469 1.588 2.549 -11.616 136 3HG2 THR 469 3HG2 THR 469 1.805 1.478 -10.232 137 H HIS 470 H HIS 470 5.202 3.295 -7.582 138 HA HIS 470 HA HIS 470 4.603 5.546 -5.894 139 1HB HIS 470 2HB HIS 470 6.291 3.687 -5.405 140 2HB HIS 470 1HB HIS 470 7.355 4.499 -6.548 141 HD2 HIS 470 2HD HIS 470 8.885 6.417 -5.470 142 HE1 HIS 470 1HE HIS 470 6.695 6.890 -1.879 143 HE2 HIS 470 2HE HIS 470 8.851 7.449 -3.091 144 H THR 471 H THR 471 5.991 7.525 -5.964 145 HA THR 471 HA THR 471 5.654 8.907 -8.363 146 HB THR 471 HB THR 471 7.837 9.983 -6.764 147 HG1 THR 471 1HG THR 471 6.368 10.341 -4.921 148 1HG2 THR 471 1HG2 THR 471 6.854 11.793 -7.614 149 2HG2 THR 471 2HG2 THR 471 5.508 11.529 -6.505 150 3HG2 THR 471 3HG2 THR 471 5.458 10.846 -8.130 151 H ASP 472 H ASP 472 8.246 6.876 -7.284 152 HA ASP 472 HA ASP 472 10.083 7.844 -9.316 153 1HB ASP 472 2HB ASP 472 10.315 5.710 -7.195 154 2HB ASP 472 1HB ASP 472 11.577 6.027 -8.381 155 H GLY 473 H GLY 473 7.584 5.566 -9.145 156 1HA GLY 473 2HA GLY 473 6.923 4.510 -11.223 157 2HA GLY 473 1HA GLY 473 8.626 4.263 -11.575 158 H ARG 474 H ARG 474 8.868 3.500 -8.583 159 HA ARG 474 HA ARG 474 8.598 0.679 -9.025 160 1HB ARG 474 2HB ARG 474 9.236 2.095 -6.432 161 2HB ARG 474 1HB ARG 474 9.578 0.419 -6.838 162 1HG ARG 474 2HG ARG 474 11.254 1.038 -8.389 163 2HG ARG 474 1HG ARG 474 10.771 2.734 -8.334 164 1HD ARG 474 2HD ARG 474 12.233 3.077 -6.706 165 2HD ARG 474 1HD ARG 474 11.334 1.959 -5.682 166 HE ARG 474 HE ARG 474 12.939 0.322 -6.112 167 1HH1 ARG 474 1HH1 ARG 474 13.423 3.059 -8.226 168 2HH1 ARG 474 2HH1 ARG 474 14.979 2.526 -8.764 169 1HH2 ARG 474 1HH2 ARG 474 14.980 -0.381 -6.821 170 2HH2 ARG 474 2HH2 ARG 474 15.864 0.569 -7.968 171 H VAL 475 H VAL 475 6.851 -0.520 -8.654 172 HA VAL 475 HA VAL 475 4.530 0.655 -7.434 173 HB VAL 475 HB VAL 475 4.381 -0.851 -9.390 174 1HG1 VAL 475 1HG1 VAL 475 4.822 -3.161 -9.288 175 2HG1 VAL 475 2HG1 VAL 475 4.914 -3.161 -7.523 176 3HG1 VAL 475 3HG1 VAL 475 6.186 -2.401 -8.474 177 1HG2 VAL 475 1HG2 VAL 475 2.870 -1.554 -6.870 178 2HG2 VAL 475 2HG2 VAL 475 2.445 -2.224 -8.449 179 3HG2 VAL 475 3HG2 VAL 475 2.382 -0.486 -8.182 180 H PHE 476 H PHE 476 4.333 0.785 -5.306 181 HA PHE 476 HA PHE 476 5.558 -1.226 -3.585 182 1HB PHE 476 2HB PHE 476 5.053 0.291 -1.749 183 2HB PHE 476 1HB PHE 476 5.866 1.164 -3.043 184 HD1 PHE 476 1HD PHE 476 2.602 0.551 -1.447 185 HD2 PHE 476 2HD PHE 476 4.831 2.985 -4.131 186 HE1 PHE 476 1HE PHE 476 0.765 2.186 -1.480 187 HE2 PHE 476 2HE PHE 476 2.999 4.627 -4.169 188 HZ PHE 476 HZ PHE 476 0.962 4.229 -2.842 189 H PHE 477 H PHE 477 4.130 -1.687 -1.522 190 HA PHE 477 HA PHE 477 1.546 -2.669 -2.528 191 1HB PHE 477 2HB PHE 477 3.087 -3.650 -0.121 192 2HB PHE 477 1HB PHE 477 1.667 -4.397 -0.844 193 HD1 PHE 477 1HD PHE 477 5.205 -3.516 -1.523 194 HD2 PHE 477 2HD PHE 477 1.892 -5.993 -2.524 195 HE1 PHE 477 1HE PHE 477 6.662 -4.876 -2.964 196 HE2 PHE 477 2HE PHE 477 3.345 -7.358 -3.967 197 HZ PHE 477 HZ PHE 477 5.733 -6.800 -4.188 198 H ILE 478 H ILE 478 -0.333 -2.465 -1.255 199 HA ILE 478 HA ILE 478 -0.184 -0.844 1.161 200 HB ILE 478 HB ILE 478 -0.427 0.780 -0.711 201 1HG1 ILE 478 2HG1 ILE 478 -2.737 0.494 1.210 202 2HG1 ILE 478 1HG1 ILE 478 -1.296 1.482 1.406 203 1HG2 ILE 478 1HG2 ILE 478 -1.811 -0.893 -2.077 204 2HG2 ILE 478 2HG2 ILE 478 -2.223 0.818 -2.174 205 3HG2 ILE 478 3HG2 ILE 478 -3.184 -0.265 -1.169 206 1HD1 ILE 478 1HD1 ILE 478 -2.529 2.380 -0.955 207 2HD1 ILE 478 2HD1 ILE 478 -2.447 3.203 0.605 208 3HD1 ILE 478 3HD1 ILE 478 -3.819 2.161 0.229 209 H ASN 479 H ASN 479 -1.509 -1.660 2.647 210 HA ASN 479 HA ASN 479 -3.593 -3.516 1.785 211 1HB ASN 479 2HB ASN 479 -3.567 -4.402 3.987 212 2HB ASN 479 1HB ASN 479 -1.885 -4.135 3.551 213 1HD2 ASN 479 1HD2 ASN 479 -2.541 -4.437 6.147 214 2HD2 ASN 479 2HD2 ASN 479 -2.391 -2.936 6.988 215 H HIS 480 H HIS 480 -5.735 -3.406 2.611 216 HA HIS 480 HA HIS 480 -6.579 -0.648 3.148 217 1HB HIS 480 2HB HIS 480 -8.041 -3.035 2.026 218 2HB HIS 480 1HB HIS 480 -8.869 -1.560 2.513 219 HD2 HIS 480 2HD HIS 480 -5.538 -1.726 0.419 220 HE1 HIS 480 1HE HIS 480 -8.575 0.188 -1.823 221 HE2 HIS 480 2HE HIS 480 -6.101 -0.357 -1.712 222 H ASN 481 H ASN 481 -6.137 -3.587 4.767 223 HA ASN 481 HA ASN 481 -8.308 -3.692 6.514 224 1HB ASN 481 2HB ASN 481 -5.526 -4.332 7.453 225 2HB ASN 481 1HB ASN 481 -7.039 -5.141 7.847 226 1HD2 ASN 481 1HD2 ASN 481 -4.416 -4.901 5.651 227 2HD2 ASN 481 2HD2 ASN 481 -4.836 -6.244 4.653 228 H ILE 482 H ILE 482 -5.192 -2.031 6.898 229 HA ILE 482 HA ILE 482 -6.487 -0.224 8.824 230 HB ILE 482 HB ILE 482 -4.122 -0.102 9.895 231 1HG1 ILE 482 2HG1 ILE 482 -4.043 -2.845 8.615 232 2HG1 ILE 482 1HG1 ILE 482 -2.998 -1.489 8.205 233 1HG2 ILE 482 1HG2 ILE 482 -6.307 -1.057 10.828 234 2HG2 ILE 482 2HG2 ILE 482 -4.797 -1.588 11.568 235 3HG2 ILE 482 3HG2 ILE 482 -5.636 -2.638 10.426 236 1HD1 ILE 482 1HD1 ILE 482 -2.745 -1.860 10.971 237 2HD1 ILE 482 2HD1 ILE 482 -1.559 -2.215 9.714 238 3HD1 ILE 482 3HD1 ILE 482 -2.686 -3.465 10.242 239 H LYS 483 H LYS 483 -5.811 -0.068 5.915 240 HA LYS 483 HA LYS 483 -4.750 1.289 4.398 241 1HB LYS 483 2HB LYS 483 -5.464 3.279 6.556 242 2HB LYS 483 1HB LYS 483 -5.098 3.682 4.884 243 1HG LYS 483 2HG LYS 483 -7.439 3.706 5.053 244 2HG LYS 483 1HG LYS 483 -7.037 2.194 4.237 245 1HD LYS 483 2HD LYS 483 -7.737 0.916 5.976 246 2HD LYS 483 1HD LYS 483 -7.218 2.091 7.187 247 1HE LYS 483 2HE LYS 483 -9.588 2.016 7.273 248 2HE LYS 483 1HE LYS 483 -9.154 3.526 6.474 249 1HZ LYS 483 1HZ LYS 483 -9.815 2.717 4.416 250 2HZ LYS 483 2HZ LYS 483 -11.003 2.114 5.458 251 3HZ LYS 483 3HZ LYS 483 -9.767 1.099 4.909 252 H LYS 484 H LYS 484 -2.627 0.338 4.708 253 HA LYS 484 HA LYS 484 -0.696 2.349 5.502 254 1HB LYS 484 2HB LYS 484 -1.372 0.408 7.349 255 2HB LYS 484 1HB LYS 484 0.070 -0.251 6.590 256 1HG LYS 484 2HG LYS 484 1.417 1.252 7.555 257 2HG LYS 484 1HG LYS 484 0.277 2.578 7.311 258 1HD LYS 484 2HD LYS 484 -0.959 0.970 9.196 259 2HD LYS 484 1HD LYS 484 0.744 0.933 9.657 260 1HE LYS 484 2HE LYS 484 0.836 3.274 9.895 261 2HE LYS 484 1HE LYS 484 -0.687 3.501 9.039 262 1HZ LYS 484 1HZ LYS 484 -0.232 2.581 11.796 263 2HZ LYS 484 2HZ LYS 484 -1.644 2.127 10.986 264 3HZ LYS 484 3HZ LYS 484 -1.298 3.764 11.226 265 H THR 485 H THR 485 0.792 2.447 3.964 266 HA THR 485 HA THR 485 1.131 0.171 2.159 267 HB THR 485 HB THR 485 0.782 2.133 0.912 268 HG1 THR 485 1HG THR 485 3.607 2.118 0.966 269 1HG2 THR 485 1HG2 THR 485 2.472 4.112 1.365 270 2HG2 THR 485 2HG2 THR 485 2.508 3.409 2.982 271 3HG2 THR 485 3HG2 THR 485 0.980 3.959 2.293 272 H GLN 486 H GLN 486 3.390 -0.257 1.360 273 HA GLN 486 HA GLN 486 5.561 0.403 3.137 274 1HB GLN 486 2HB GLN 486 6.043 -2.051 3.584 275 2HB GLN 486 1HB GLN 486 4.696 -1.347 4.470 276 1HG GLN 486 2HG GLN 486 3.124 -2.523 3.293 277 2HG GLN 486 1HG GLN 486 4.158 -2.705 1.881 278 1HE2 GLN 486 1HE2 GLN 486 5.430 -4.455 1.693 279 2HE2 GLN 486 2HE2 GLN 486 5.487 -5.742 2.841 280 H TRP 487 H TRP 487 7.591 -0.099 2.284 281 HA TRP 487 HA TRP 487 7.695 -0.311 -0.562 282 1HB TRP 487 2HB TRP 487 9.644 0.095 1.641 283 2HB TRP 487 1HB TRP 487 10.277 -0.579 0.144 284 HD1 TRP 487 HD TRP 487 10.053 2.610 1.692 285 HE1 TRP 487 1HE TRP 487 9.955 4.538 -0.011 286 HE3 TRP 487 3HE TRP 487 8.833 -0.063 -2.492 287 HZ2 TRP 487 2HZ TRP 487 9.430 4.880 -2.765 288 HZ3 TRP 487 3HZ TRP 487 8.551 1.139 -4.619 289 HH2 TRP 487 HH TRP 487 8.843 3.559 -4.752 290 H GLU 488 H GLU 488 8.495 -2.466 2.125 291 HA GLU 488 HA GLU 488 9.683 -4.523 0.641 292 1HB GLU 488 2HB GLU 488 8.959 -4.073 3.330 293 2HB GLU 488 1HB GLU 488 8.207 -5.592 2.864 294 1HG GLU 488 2HG GLU 488 10.174 -6.476 3.446 295 2HG GLU 488 1HG GLU 488 10.687 -5.931 1.849 296 H ASP 489 H ASP 489 8.526 -6.851 0.892 297 HA ASP 489 HA ASP 489 5.991 -6.597 -0.580 298 1HB ASP 489 2HB ASP 489 7.880 -8.947 -0.687 299 2HB ASP 489 1HB ASP 489 6.537 -8.595 -1.769 300 HA PRO 490 HA PRO 490 4.440 -8.713 3.086 301 1HB PRO 490 2HB PRO 490 1.819 -8.388 2.579 302 2HB PRO 490 1HB PRO 490 2.836 -7.061 3.156 303 1HG PRO 490 2HG PRO 490 1.883 -7.654 0.387 304 2HG PRO 490 1HG PRO 490 2.017 -6.094 1.216 305 1HD PRO 490 2HD PRO 490 3.851 -7.044 -0.596 306 2HD PRO 490 1HD PRO 490 4.225 -5.866 0.677 307 H ARG 491 H ARG 491 3.353 -9.353 -0.219 308 HA ARG 491 HA ARG 491 2.128 -11.857 0.411 309 1HB ARG 491 2HB ARG 491 2.253 -12.158 -2.132 310 2HB ARG 491 1HB ARG 491 1.283 -10.830 -1.515 311 1HG ARG 491 2HG ARG 491 2.779 -9.225 -2.226 312 2HG ARG 491 1HG ARG 491 4.129 -10.360 -2.275 313 1HD ARG 491 2HD ARG 491 1.809 -10.176 -4.187 314 2HD ARG 491 1HD ARG 491 3.509 -9.853 -4.527 315 HE ARG 491 HE ARG 491 2.215 -12.385 -4.555 316 1HH1 ARG 491 1HH1 ARG 491 5.237 -10.815 -3.820 317 2HH1 ARG 491 2HH1 ARG 491 6.192 -12.226 -4.131 318 1HH2 ARG 491 1HH2 ARG 491 3.462 -14.246 -4.966 319 2HH2 ARG 491 2HH2 ARG 491 5.183 -14.177 -4.782 320 H MET 492 H MET 492 5.369 -10.888 -0.043 321 HA MET 492 HA MET 492 6.311 -13.446 -0.988 322 1HB MET 492 2HB MET 492 7.416 -11.295 -1.586 323 2HB MET 492 1HB MET 492 7.894 -11.112 0.097 324 1HG MET 492 2HG MET 492 9.678 -11.988 -1.381 325 2HG MET 492 1HG MET 492 9.297 -13.033 -0.014 326 1HE MET 492 1HE MET 492 10.188 -15.186 -0.704 327 2HE MET 492 2HE MET 492 10.972 -14.509 -2.131 328 3HE MET 492 3HE MET 492 9.988 -15.966 -2.272 329 H GLN 493 H GLN 493 5.527 -12.094 2.044 330 HA GLN 493 HA GLN 493 7.293 -13.915 3.496 331 1HB GLN 493 2HB GLN 493 5.852 -11.425 4.132 332 2HB GLN 493 1HB GLN 493 5.859 -12.622 5.420 333 1HG GLN 493 2HG GLN 493 7.707 -10.966 5.534 334 2HG GLN 493 1HG GLN 493 8.235 -12.648 5.492 335 1HE2 GLN 493 1HE2 GLN 493 8.989 -9.714 4.406 336 2HE2 GLN 493 2HE2 GLN 493 9.751 -10.109 2.907 337 H ASN 494 H ASN 494 5.801 -15.587 2.321 338 HA ASN 494 HA ASN 494 3.226 -16.019 3.510 339 1HB ASN 494 2HB ASN 494 4.949 -17.564 1.594 340 2HB ASN 494 1HB ASN 494 3.511 -18.299 2.297 341 1HD2 ASN 494 1HD2 ASN 494 4.693 -16.475 -0.216 342 2HD2 ASN 494 2HD2 ASN 494 3.200 -15.850 -0.822 343 H VAL 495 H VAL 495 5.991 -18.263 3.394 344 HA VAL 495 HA VAL 495 5.986 -18.602 6.255 345 HB VAL 495 HB VAL 495 5.476 -20.994 6.255 346 1HG1 VAL 495 1HG1 VAL 495 3.099 -20.840 6.049 347 2HG1 VAL 495 2HG1 VAL 495 3.231 -19.465 4.952 348 3HG1 VAL 495 3HG1 VAL 495 3.697 -19.291 6.645 349 1HG2 VAL 495 1HG2 VAL 495 4.814 -22.212 4.386 350 2HG2 VAL 495 2HG2 VAL 495 6.125 -21.208 3.767 351 3HG2 VAL 495 3HG2 VAL 495 4.449 -20.764 3.450 352 H ALA 496 H ALA 496 7.974 -17.764 4.512 353 HA ALA 496 HA ALA 496 10.081 -19.544 5.193 354 1HB ALA 496 1HB ALA 496 8.932 -20.566 3.097 355 2HB ALA 496 2HB ALA 496 10.692 -20.475 3.170 356 3HB ALA 496 3HB ALA 496 9.785 -19.290 2.230 357 H ILE 497 H ILE 497 12.200 -18.793 4.133 358 HA ILE 497 HA ILE 497 12.237 -16.062 3.202 359 HB ILE 497 HB ILE 497 13.482 -16.716 5.876 360 1HG1 ILE 497 2HG1 ILE 497 11.099 -15.017 5.114 361 2HG1 ILE 497 1HG1 ILE 497 11.104 -16.448 6.143 362 1HG2 ILE 497 1HG2 ILE 497 14.753 -14.908 5.659 363 2HG2 ILE 497 2HG2 ILE 497 13.370 -13.922 5.181 364 3HG2 ILE 497 3HG2 ILE 497 14.261 -14.841 3.967 365 1HD1 ILE 497 1HD1 ILE 497 10.901 -14.545 7.549 366 2HD1 ILE 497 2HD1 ILE 497 12.268 -13.745 6.769 367 3HD1 ILE 497 3HD1 ILE 497 12.532 -15.183 7.756 368 H THR 498 H THR 498 14.572 -18.078 4.988 369 HA THR 498 HA THR 498 16.608 -17.580 3.022 370 HB THR 498 HB THR 498 17.175 -17.801 5.409 371 HG1 THR 498 1HG THR 498 18.288 -19.696 3.603 372 1HG2 THR 498 1HG2 THR 498 16.745 -19.631 6.682 373 2HG2 THR 498 2HG2 THR 498 16.944 -20.749 5.332 374 3HG2 THR 498 3HG2 THR 498 15.440 -19.847 5.516 375 H GLY 499 H GLY 499 16.986 -18.723 1.241 376 1HA GLY 499 2HA GLY 499 17.379 -21.226 0.663 377 2HA GLY 499 1HA GLY 499 15.647 -21.319 0.940 378 1H GLY 605 1HT GLY 605 22.012 8.664 -0.616 379 2H GLY 605 2HT GLY 605 22.502 9.794 -1.775 380 3H GLY 605 3HT GLY 605 23.190 9.815 -0.230 381 1HA GLY 605 1HA GLY 605 24.621 8.823 -2.008 382 2HA GLY 605 2HA GLY 605 24.368 7.830 -0.582 383 H SER 606 H SER 606 25.193 6.472 -2.662 384 HA SER 606 HA SER 606 23.182 5.604 -4.467 385 1HB SER 606 2HB SER 606 25.799 5.389 -4.581 386 2HB SER 606 1HB SER 606 25.512 3.866 -3.740 387 HG SER 606 HG SER 606 24.722 4.656 -6.315 388 H THR 607 H THR 607 24.365 4.392 -1.372 389 HA THR 607 HA THR 607 22.944 1.957 -1.373 390 HB THR 607 HB THR 607 23.177 2.181 1.182 391 HG1 THR 607 1HG THR 607 25.025 4.222 0.542 392 1HG2 THR 607 1HG2 THR 607 25.616 1.738 1.070 393 2HG2 THR 607 2HG2 THR 607 25.601 2.255 -0.617 394 3HG2 THR 607 3HG2 THR 607 24.694 0.825 -0.124 395 H LEU 608 H LEU 608 22.233 4.935 0.459 396 HA LEU 608 HA LEU 608 20.290 5.727 1.354 397 1HB LEU 608 2HB LEU 608 19.876 6.312 -0.936 398 2HB LEU 608 1HB LEU 608 19.335 4.687 -1.308 399 HG LEU 608 HG LEU 608 17.699 5.714 0.794 400 1HD1 LEU 608 1HD1 LEU 608 18.643 7.855 -0.503 401 2HD1 LEU 608 2HD1 LEU 608 17.004 7.762 0.139 402 3HD1 LEU 608 3HD1 LEU 608 17.302 7.441 -1.569 403 1HD2 LEU 608 1HD2 LEU 608 15.964 5.027 -0.585 404 2HD2 LEU 608 2HD2 LEU 608 17.299 3.989 -1.089 405 3HD2 LEU 608 3HD2 LEU 608 16.858 5.392 -2.061 406 HA PRO 609 HA PRO 609 18.920 1.367 2.570 407 1HB PRO 609 2HB PRO 609 19.789 1.473 5.140 408 2HB PRO 609 1HB PRO 609 20.805 0.906 3.809 409 1HG PRO 609 2HG PRO 609 20.725 3.605 5.111 410 2HG PRO 609 1HG PRO 609 22.134 2.625 4.661 411 1HD PRO 609 2HD PRO 609 21.279 4.675 3.137 412 2HD PRO 609 1HD PRO 609 21.981 3.207 2.427 413 H ILE 610 H ILE 610 18.802 4.504 4.166 414 HA ILE 610 HA ILE 610 16.156 3.809 5.259 415 HB ILE 610 HB ILE 610 18.022 5.982 6.217 416 1HG1 ILE 610 2HG1 ILE 610 17.378 3.326 7.517 417 2HG1 ILE 610 1HG1 ILE 610 18.861 3.662 6.631 418 1HG2 ILE 610 1HG2 ILE 610 16.501 6.410 7.934 419 2HG2 ILE 610 2HG2 ILE 610 15.635 4.897 7.672 420 3HG2 ILE 610 3HG2 ILE 610 15.485 6.212 6.506 421 1HD1 ILE 610 1HD1 ILE 610 19.594 4.059 8.734 422 2HD1 ILE 610 2HD1 ILE 610 18.006 4.559 9.315 423 3HD1 ILE 610 3HD1 ILE 610 18.983 5.669 8.355 424 HA PRO 611 HA PRO 611 15.256 6.797 1.852 425 1HB PRO 611 2HB PRO 611 12.643 5.959 1.640 426 2HB PRO 611 1HB PRO 611 13.990 5.263 0.734 427 1HG PRO 611 2HG PRO 611 12.672 4.276 3.230 428 2HG PRO 611 1HG PRO 611 13.235 3.359 1.820 429 1HD PRO 611 2HD PRO 611 14.648 3.441 4.099 430 2HD PRO 611 1HD PRO 611 15.446 3.406 2.512 431 H GLY 612 H GLY 612 13.282 5.960 4.681 432 1HA GLY 612 2HA GLY 612 13.077 8.055 6.161 433 2HA GLY 612 1HA GLY 612 12.285 8.730 4.745 434 H THR 613 H THR 613 10.182 8.217 4.310 435 HA THR 613 HA THR 613 8.845 6.486 6.287 436 HB THR 613 HB THR 613 6.874 7.859 6.129 437 HG1 THR 613 1HG THR 613 8.302 9.490 4.278 438 1HG2 THR 613 1HG2 THR 613 8.181 8.791 7.783 439 2HG2 THR 613 2HG2 THR 613 7.975 10.172 6.707 440 3HG2 THR 613 3HG2 THR 613 9.468 9.235 6.663 441 HA PRO 614 HA PRO 614 7.236 3.827 3.174 442 1HB PRO 614 2HB PRO 614 4.512 4.329 4.251 443 2HB PRO 614 1HB PRO 614 5.372 2.802 4.031 444 1HG PRO 614 2HG PRO 614 5.057 3.860 6.459 445 2HG PRO 614 1HG PRO 614 6.559 3.032 6.007 446 1HD PRO 614 2HD PRO 614 6.001 5.957 6.245 447 2HD PRO 614 1HD PRO 614 7.471 5.049 6.656 448 HA PRO 615 HA PRO 615 5.804 6.022 -0.368 449 1HB PRO 615 2HB PRO 615 3.677 3.930 -0.570 450 2HB PRO 615 1HB PRO 615 4.788 4.528 -1.808 451 1HG PRO 615 2HG PRO 615 5.208 2.178 -0.623 452 2HG PRO 615 1HG PRO 615 6.558 3.254 -1.028 453 1HD PRO 615 2HD PRO 615 5.341 2.659 1.621 454 2HD PRO 615 1HD PRO 615 7.016 3.078 1.213 455 HA PRO 616 HA PRO 616 2.353 8.668 0.357 456 1HB PRO 616 2HB PRO 616 0.921 7.470 -1.973 457 2HB PRO 616 1HB PRO 616 1.230 9.169 -1.594 458 1HG PRO 616 2HG PRO 616 2.654 7.913 -3.461 459 2HG PRO 616 1HG PRO 616 3.414 9.082 -2.366 460 1HD PRO 616 2HD PRO 616 3.572 6.108 -2.370 461 2HD PRO 616 1HD PRO 616 4.792 7.305 -1.894 462 H ASN 617 H ASN 617 1.103 8.267 2.067 463 HA ASN 617 HA ASN 617 -0.107 5.819 2.678 464 1HB ASN 617 2HB ASN 617 0.218 8.289 3.949 465 2HB ASN 617 1HB ASN 617 -1.526 8.061 3.852 466 1HD2 ASN 617 1HD2 ASN 617 1.136 5.764 4.283 467 2HD2 ASN 617 2HD2 ASN 617 0.559 5.110 5.775 468 H TYR 618 H TYR 618 -2.327 5.197 2.697 469 HA TYR 618 HA TYR 618 -3.690 5.694 0.299 470 1HB TYR 618 2HB TYR 618 -3.940 3.669 1.787 471 2HB TYR 618 1HB TYR 618 -4.940 4.657 2.848 472 HD1 TYR 618 1HD TYR 618 -7.210 4.385 2.601 473 HD2 TYR 618 2HD TYR 618 -4.720 3.902 -0.814 474 HE1 TYR 618 1HE TYR 618 -9.187 3.845 1.244 475 HE2 TYR 618 2HE TYR 618 -6.691 3.363 -2.182 476 HH TYR 618 HH TYR 618 -8.894 2.773 -2.090 477 H ASP 619 H ASP 619 -4.023 7.094 3.513 478 HA ASP 619 HA ASP 619 -6.401 8.541 3.016 479 1HB ASP 619 2HB ASP 619 -5.695 9.905 4.991 480 2HB ASP 619 1HB ASP 619 -5.689 8.170 5.289 481 H SER 620 H SER 620 -3.086 9.076 2.194 482 HA SER 620 HA SER 620 -3.560 11.869 1.495 483 1HB SER 620 2HB SER 620 -1.271 10.340 2.278 484 2HB SER 620 1HB SER 620 -0.966 11.036 0.687 485 HG SER 620 HG SER 620 -0.965 12.247 3.073 486 H LEU 621 H LEU 621 -3.513 8.765 0.031 487 HA LEU 621 HA LEU 621 -2.807 9.578 -2.610 488 1HB LEU 621 2HB LEU 621 -3.800 7.127 -1.299 489 2HB LEU 621 1HB LEU 621 -4.231 7.301 -2.990 490 HG LEU 621 HG LEU 621 -1.426 7.312 -1.870 491 1HD1 LEU 621 1HD1 LEU 621 -1.448 5.111 -2.114 492 2HD1 LEU 621 2HD1 LEU 621 -1.942 5.278 -3.798 493 3HD1 LEU 621 3HD1 LEU 621 -3.161 5.186 -2.526 494 1HD2 LEU 621 1HD2 LEU 621 -0.844 7.163 -4.336 495 2HD2 LEU 621 2HD2 LEU 621 -1.391 8.733 -3.747 496 3HD2 LEU 621 3HD2 LEU 621 -2.494 7.698 -4.652 Start of MODEL 3 1 1H GLY 450 1HT GLY 450 7.646 -36.178 0.393 2 2H GLY 450 2HT GLY 450 9.208 -35.689 -0.038 3 3H GLY 450 3HT GLY 450 8.003 -35.807 -1.219 4 1HA GLY 450 1HA GLY 450 6.812 -33.970 -0.349 5 2HA GLY 450 2HA GLY 450 7.839 -33.942 1.077 6 H SER 451 H SER 451 7.200 -32.233 -1.543 7 HA SER 451 HA SER 451 9.821 -31.000 -1.563 8 1HB SER 451 2HB SER 451 9.194 -31.133 -4.301 9 2HB SER 451 1HB SER 451 10.520 -31.947 -3.471 10 HG SER 451 HG SER 451 8.155 -32.960 -4.432 11 HA PRO 452 HA PRO 452 7.252 -27.423 -1.973 12 1HB PRO 452 2HB PRO 452 9.099 -25.603 -2.736 13 2HB PRO 452 1HB PRO 452 9.033 -26.254 -1.095 14 1HG PRO 452 2HG PRO 452 10.821 -27.023 -3.369 15 2HG PRO 452 1HG PRO 452 11.224 -26.793 -1.657 16 1HD PRO 452 2HD PRO 452 10.836 -29.243 -2.775 17 2HD PRO 452 1HD PRO 452 10.480 -28.889 -1.073 18 H VAL 453 H VAL 453 6.085 -28.350 -3.813 19 HA VAL 453 HA VAL 453 7.020 -27.815 -6.480 20 HB VAL 453 HB VAL 453 4.887 -28.711 -7.232 21 1HG1 VAL 453 1HG1 VAL 453 6.462 -30.395 -6.801 22 2HG1 VAL 453 2HG1 VAL 453 4.989 -30.942 -5.999 23 3HG1 VAL 453 3HG1 VAL 453 6.293 -30.225 -5.053 24 1HG2 VAL 453 1HG2 VAL 453 4.142 -28.641 -4.312 25 2HG2 VAL 453 2HG2 VAL 453 3.234 -29.515 -5.545 26 3HG2 VAL 453 3HG2 VAL 453 3.378 -27.760 -5.634 27 H ASP 454 H ASP 454 4.746 -26.347 -4.227 28 HA ASP 454 HA ASP 454 4.788 -23.904 -5.769 29 1HB ASP 454 2HB ASP 454 2.818 -25.621 -6.468 30 2HB ASP 454 1HB ASP 454 2.022 -24.761 -5.152 31 H SER 455 H SER 455 5.890 -23.465 -3.686 32 HA SER 455 HA SER 455 4.345 -23.387 -1.276 33 1HB SER 455 2HB SER 455 6.291 -22.185 -0.339 34 2HB SER 455 1HB SER 455 6.777 -23.650 -1.191 35 HG SER 455 HG SER 455 7.593 -22.458 -2.813 36 H ASN 456 H ASN 456 5.840 -20.756 -3.167 37 HA ASN 456 HA ASN 456 3.879 -18.891 -2.077 38 1HB ASN 456 2HB ASN 456 5.313 -17.198 -3.354 39 2HB ASN 456 1HB ASN 456 6.070 -18.014 -1.989 40 1HD2 ASN 456 1HD2 ASN 456 6.252 -17.312 -5.282 41 2HD2 ASN 456 2HD2 ASN 456 7.604 -18.314 -5.675 42 H ASP 457 H ASP 457 2.277 -17.961 -3.231 43 HA ASP 457 HA ASP 457 2.154 -17.564 -5.965 44 1HB ASP 457 2HB ASP 457 1.916 -20.293 -5.398 45 2HB ASP 457 1HB ASP 457 0.269 -19.752 -5.709 46 H LEU 458 H LEU 458 1.196 -15.685 -5.143 47 HA LEU 458 HA LEU 458 -1.519 -16.010 -4.053 48 1HB LEU 458 2HB LEU 458 0.523 -13.824 -3.782 49 2HB LEU 458 1HB LEU 458 -1.172 -13.524 -3.454 50 HG LEU 458 HG LEU 458 0.304 -15.740 -2.064 51 1HD1 LEU 458 1HD1 LEU 458 0.498 -12.824 -1.618 52 2HD1 LEU 458 2HD1 LEU 458 1.653 -14.109 -1.266 53 3HD1 LEU 458 3HD1 LEU 458 0.282 -13.837 -0.191 54 1HD2 LEU 458 1HD2 LEU 458 -2.220 -14.188 -1.582 55 2HD2 LEU 458 2HD2 LEU 458 -1.439 -15.125 -0.308 56 3HD2 LEU 458 3HD2 LEU 458 -2.015 -15.930 -1.768 57 H GLY 459 H GLY 459 0.409 -14.360 -6.498 58 1HA GLY 459 2HA GLY 459 -0.315 -13.769 -8.641 59 2HA GLY 459 1HA GLY 459 -1.972 -14.044 -8.133 60 HA PRO 460 HA PRO 460 -2.107 -9.573 -8.181 61 1HB PRO 460 2HB PRO 460 -4.695 -9.264 -7.501 62 2HB PRO 460 1HB PRO 460 -4.209 -9.833 -9.102 63 1HG PRO 460 2HG PRO 460 -5.177 -11.405 -6.746 64 2HG PRO 460 1HG PRO 460 -5.602 -11.580 -8.459 65 1HD PRO 460 2HD PRO 460 -3.787 -13.176 -7.193 66 2HD PRO 460 1HD PRO 460 -3.723 -12.809 -8.928 67 H LEU 461 H LEU 461 -0.722 -10.295 -6.052 68 HA LEU 461 HA LEU 461 -0.215 -9.821 -3.884 69 1HB LEU 461 2HB LEU 461 -2.347 -7.715 -3.912 70 2HB LEU 461 1HB LEU 461 -0.796 -7.699 -3.095 71 HG LEU 461 HG LEU 461 -1.243 -7.406 -6.065 72 1HD1 LEU 461 1HD1 LEU 461 -1.060 -5.529 -3.850 73 2HD1 LEU 461 2HD1 LEU 461 -1.618 -5.282 -5.504 74 3HD1 LEU 461 3HD1 LEU 461 0.104 -5.201 -5.133 75 1HD2 LEU 461 1HD2 LEU 461 0.994 -8.422 -4.756 76 2HD2 LEU 461 2HD2 LEU 461 1.389 -6.737 -5.095 77 3HD2 LEU 461 3HD2 LEU 461 0.914 -7.813 -6.408 78 HA PRO 462 HA PRO 462 -3.078 -11.689 -1.107 79 1HB PRO 462 2HB PRO 462 -2.607 -9.824 1.072 80 2HB PRO 462 1HB PRO 462 -2.051 -11.485 0.899 81 1HG PRO 462 2HG PRO 462 -0.381 -9.344 0.798 82 2HG PRO 462 1HG PRO 462 -0.068 -10.862 -0.062 83 1HD PRO 462 2HD PRO 462 -1.162 -8.280 -1.108 84 2HD PRO 462 1HD PRO 462 0.002 -9.396 -1.854 85 HA PRO 463 HA PRO 463 -7.009 -9.705 -0.858 86 1HB PRO 463 2HB PRO 463 -7.925 -10.415 1.631 87 2HB PRO 463 1HB PRO 463 -7.929 -11.494 0.232 88 1HG PRO 463 2HG PRO 463 -5.976 -11.327 2.492 89 2HG PRO 463 1HG PRO 463 -6.654 -12.762 1.700 90 1HD PRO 463 2HD PRO 463 -4.176 -11.872 1.144 91 2HD PRO 463 1HD PRO 463 -5.208 -12.605 -0.102 92 H GLY 464 H GLY 464 -7.532 -7.630 -0.538 93 1HA GLY 464 2HA GLY 464 -7.942 -5.693 0.735 94 2HA GLY 464 1HA GLY 464 -6.948 -6.357 2.021 95 H TRP 465 H TRP 465 -4.960 -6.965 -0.318 96 HA TRP 465 HA TRP 465 -3.526 -4.447 -0.023 97 1HB TRP 465 2HB TRP 465 -2.776 -7.214 -0.929 98 2HB TRP 465 1HB TRP 465 -1.711 -5.846 -1.233 99 HD1 TRP 465 HD TRP 465 -3.031 -8.025 1.604 100 HE1 TRP 465 1HE TRP 465 -1.594 -7.589 3.694 101 HE3 TRP 465 3HE TRP 465 -0.314 -4.054 -0.107 102 HZ2 TRP 465 2HZ TRP 465 0.418 -5.795 4.499 103 HZ3 TRP 465 3HZ TRP 465 1.349 -3.030 1.391 104 HH2 TRP 465 HH TRP 465 1.703 -3.886 3.651 105 H GLU 466 H GLU 466 -2.374 -3.550 -1.905 106 HA GLU 466 HA GLU 466 -3.539 -4.077 -4.513 107 1HB GLU 466 2HB GLU 466 -4.398 -1.891 -2.836 108 2HB GLU 466 1HB GLU 466 -3.644 -1.276 -4.300 109 1HG GLU 466 2HG GLU 466 -5.427 -3.433 -4.935 110 2HG GLU 466 1HG GLU 466 -6.259 -2.209 -3.980 111 H GLU 467 H GLU 467 -2.261 -3.388 -6.218 112 HA GLU 467 HA GLU 467 0.461 -2.637 -5.480 113 1HB GLU 467 2HB GLU 467 1.082 -3.325 -7.715 114 2HB GLU 467 1HB GLU 467 0.090 -4.575 -6.978 115 1HG GLU 467 2HG GLU 467 -1.854 -3.329 -8.208 116 2HG GLU 467 1HG GLU 467 -0.544 -2.724 -9.220 117 H ARG 468 H ARG 468 0.633 -0.483 -5.213 118 HA ARG 468 HA ARG 468 -0.583 1.290 -7.210 119 1HB ARG 468 2HB ARG 468 -0.116 1.470 -4.369 120 2HB ARG 468 1HB ARG 468 0.619 2.836 -5.195 121 1HG ARG 468 2HG ARG 468 -2.107 2.201 -6.064 122 2HG ARG 468 1HG ARG 468 -1.962 2.716 -4.382 123 1HD ARG 468 2HD ARG 468 -1.966 4.807 -5.157 124 2HD ARG 468 1HD ARG 468 -0.337 4.483 -5.748 125 HE ARG 468 HE ARG 468 -2.288 3.615 -7.616 126 1HH1 ARG 468 1HH1 ARG 468 -0.729 6.469 -6.372 127 2HH1 ARG 468 2HH1 ARG 468 -0.946 7.381 -7.829 128 1HH2 ARG 468 1HH2 ARG 468 -2.577 4.805 -9.541 129 2HH2 ARG 468 2HH2 ARG 468 -1.998 6.434 -9.631 130 H THR 469 H THR 469 0.636 2.883 -8.271 131 HA THR 469 HA THR 469 3.437 2.153 -8.634 132 HB THR 469 HB THR 469 3.309 3.824 -10.542 133 HG1 THR 469 1HG THR 469 1.522 5.027 -10.055 134 1HG2 THR 469 1HG2 THR 469 1.294 2.051 -11.458 135 2HG2 THR 469 2HG2 THR 469 2.312 1.163 -10.322 136 3HG2 THR 469 3HG2 THR 469 3.036 1.955 -11.721 137 H HIS 470 H HIS 470 5.046 3.246 -7.737 138 HA HIS 470 HA HIS 470 4.537 5.645 -6.232 139 1HB HIS 470 2HB HIS 470 6.152 3.731 -5.625 140 2HB HIS 470 1HB HIS 470 7.258 4.478 -6.772 141 HD2 HIS 470 2HD HIS 470 8.893 6.248 -5.627 142 HE1 HIS 470 1HE HIS 470 6.468 7.170 -2.284 143 HE2 HIS 470 2HE HIS 470 8.765 7.434 -3.324 144 H THR 471 H THR 471 5.766 7.624 -6.480 145 HA THR 471 HA THR 471 5.628 8.714 -9.041 146 HB THR 471 HB THR 471 7.465 9.773 -6.898 147 HG1 THR 471 1HG THR 471 5.575 9.497 -5.805 148 1HG2 THR 471 1HG2 THR 471 7.713 11.223 -8.642 149 2HG2 THR 471 2HG2 THR 471 6.257 11.917 -7.929 150 3HG2 THR 471 3HG2 THR 471 6.130 10.845 -9.323 151 H ASP 472 H ASP 472 8.108 6.828 -7.568 152 HA ASP 472 HA ASP 472 10.159 7.689 -9.436 153 1HB ASP 472 2HB ASP 472 10.123 5.691 -7.176 154 2HB ASP 472 1HB ASP 472 11.503 5.868 -8.256 155 H GLY 473 H GLY 473 7.658 5.386 -9.372 156 1HA GLY 473 2HA GLY 473 7.173 4.229 -11.443 157 2HA GLY 473 1HA GLY 473 8.901 3.993 -11.654 158 H ARG 474 H ARG 474 8.941 3.372 -8.626 159 HA ARG 474 HA ARG 474 8.687 0.528 -8.953 160 1HB ARG 474 2HB ARG 474 9.360 2.210 -6.532 161 2HB ARG 474 1HB ARG 474 9.412 0.452 -6.568 162 1HG ARG 474 2HG ARG 474 11.444 0.464 -7.444 163 2HG ARG 474 1HG ARG 474 10.940 1.548 -8.743 164 1HD ARG 474 2HD ARG 474 11.147 3.437 -7.085 165 2HD ARG 474 1HD ARG 474 11.913 2.286 -5.990 166 HE ARG 474 HE ARG 474 13.382 2.034 -8.236 167 1HH1 ARG 474 1HH1 ARG 474 12.371 4.795 -6.369 168 2HH1 ARG 474 2HH1 ARG 474 13.767 5.739 -6.768 169 1HH2 ARG 474 1HH2 ARG 474 15.227 3.268 -8.766 170 2HH2 ARG 474 2HH2 ARG 474 15.391 4.870 -8.130 171 H VAL 475 H VAL 475 6.880 -0.601 -8.650 172 HA VAL 475 HA VAL 475 4.549 0.649 -7.531 173 HB VAL 475 HB VAL 475 4.433 -0.911 -9.449 174 1HG1 VAL 475 1HG1 VAL 475 4.839 -3.218 -9.274 175 2HG1 VAL 475 2HG1 VAL 475 4.859 -3.180 -7.508 176 3HG1 VAL 475 3HG1 VAL 475 6.183 -2.463 -8.421 177 1HG2 VAL 475 1HG2 VAL 475 2.835 -1.544 -6.964 178 2HG2 VAL 475 2HG2 VAL 475 2.440 -2.204 -8.555 179 3HG2 VAL 475 3HG2 VAL 475 2.413 -0.464 -8.290 180 H PHE 476 H PHE 476 4.306 0.845 -5.410 181 HA PHE 476 HA PHE 476 5.484 -1.106 -3.600 182 1HB PHE 476 2HB PHE 476 4.935 0.457 -1.829 183 2HB PHE 476 1HB PHE 476 5.728 1.318 -3.144 184 HD1 PHE 476 1HD PHE 476 4.434 2.803 -4.610 185 HD2 PHE 476 2HD PHE 476 2.684 0.918 -1.223 186 HE1 PHE 476 1HE PHE 476 2.553 4.386 -4.707 187 HE2 PHE 476 2HE PHE 476 0.797 2.496 -1.313 188 HZ PHE 476 HZ PHE 476 0.731 4.233 -3.057 189 H PHE 477 H PHE 477 4.033 -1.543 -1.565 190 HA PHE 477 HA PHE 477 1.483 -2.601 -2.581 191 1HB PHE 477 2HB PHE 477 3.032 -3.472 -0.132 192 2HB PHE 477 1HB PHE 477 1.608 -4.257 -0.807 193 HD1 PHE 477 1HD PHE 477 1.815 -5.897 -2.449 194 HD2 PHE 477 2HD PHE 477 5.143 -3.410 -1.531 195 HE1 PHE 477 1HE PHE 477 3.258 -7.321 -3.843 196 HE2 PHE 477 2HE PHE 477 6.593 -4.829 -2.925 197 HZ PHE 477 HZ PHE 477 5.650 -6.786 -4.083 198 H ILE 478 H ILE 478 -0.410 -2.436 -1.311 199 HA ILE 478 HA ILE 478 -0.335 -0.729 1.047 200 HB ILE 478 HB ILE 478 -0.624 0.831 -0.872 201 1HG1 ILE 478 2HG1 ILE 478 -2.922 0.496 1.055 202 2HG1 ILE 478 1HG1 ILE 478 -1.541 1.571 1.202 203 1HG2 ILE 478 1HG2 ILE 478 -1.895 -0.906 -2.232 204 2HG2 ILE 478 2HG2 ILE 478 -2.442 0.766 -2.332 205 3HG2 ILE 478 3HG2 ILE 478 -3.316 -0.389 -1.327 206 1HD1 ILE 478 1HD1 ILE 478 -3.310 2.979 0.638 207 2HD1 ILE 478 2HD1 ILE 478 -3.955 1.849 -0.553 208 3HD1 ILE 478 3HD1 ILE 478 -2.468 2.736 -0.894 209 H ASN 479 H ASN 479 -1.629 -1.585 2.545 210 HA ASN 479 HA ASN 479 -3.653 -3.515 1.698 211 1HB ASN 479 2HB ASN 479 -3.593 -4.394 3.901 212 2HB ASN 479 1HB ASN 479 -1.920 -4.070 3.466 213 1HD2 ASN 479 1HD2 ASN 479 -2.572 -4.389 6.061 214 2HD2 ASN 479 2HD2 ASN 479 -2.472 -2.883 6.900 215 H HIS 480 H HIS 480 -5.808 -3.411 2.357 216 HA HIS 480 HA HIS 480 -6.711 -0.698 2.997 217 1HB HIS 480 2HB HIS 480 -7.896 -2.998 1.521 218 2HB HIS 480 1HB HIS 480 -8.994 -1.888 2.333 219 HD2 HIS 480 2HD HIS 480 -5.784 -0.899 0.268 220 HE1 HIS 480 1HE HIS 480 -9.222 0.894 -1.427 221 HE2 HIS 480 2HE HIS 480 -6.717 0.577 -1.650 222 H ASN 481 H ASN 481 -6.172 -3.585 4.595 223 HA ASN 481 HA ASN 481 -8.444 -3.846 6.223 224 1HB ASN 481 2HB ASN 481 -5.690 -4.421 7.272 225 2HB ASN 481 1HB ASN 481 -7.188 -5.300 7.552 226 1HD2 ASN 481 1HD2 ASN 481 -4.431 -4.930 5.567 227 2HD2 ASN 481 2HD2 ASN 481 -4.758 -6.231 4.479 228 H ILE 482 H ILE 482 -5.430 -2.041 6.727 229 HA ILE 482 HA ILE 482 -6.846 -0.397 8.716 230 HB ILE 482 HB ILE 482 -4.524 -0.133 9.803 231 1HG1 ILE 482 2HG1 ILE 482 -4.129 -2.779 8.387 232 2HG1 ILE 482 1HG1 ILE 482 -3.282 -1.285 7.997 233 1HG2 ILE 482 1HG2 ILE 482 -5.771 -2.843 10.137 234 2HG2 ILE 482 2HG2 ILE 482 -6.570 -1.367 10.679 235 3HG2 ILE 482 3HG2 ILE 482 -5.007 -1.824 11.357 236 1HD1 ILE 482 1HD1 ILE 482 -2.167 -3.091 9.504 237 2HD1 ILE 482 2HD1 ILE 482 -3.143 -2.350 10.772 238 3HD1 ILE 482 3HD1 ILE 482 -1.976 -1.378 9.876 239 H LYS 483 H LYS 483 -6.269 -0.061 5.826 240 HA LYS 483 HA LYS 483 -5.382 1.441 4.340 241 1HB LYS 483 2HB LYS 483 -5.912 3.362 6.609 242 2HB LYS 483 1HB LYS 483 -5.879 3.737 4.892 243 1HG LYS 483 2HG LYS 483 -8.146 3.646 5.451 244 2HG LYS 483 1HG LYS 483 -7.815 2.104 4.659 245 1HD LYS 483 2HD LYS 483 -8.147 0.910 6.554 246 2HD LYS 483 1HD LYS 483 -7.451 2.160 7.587 247 1HE LYS 483 2HE LYS 483 -9.465 2.947 8.098 248 2HE LYS 483 1HE LYS 483 -9.891 3.098 6.393 249 1HZ LYS 483 1HZ LYS 483 -11.423 1.574 7.022 250 2HZ LYS 483 2HZ LYS 483 -10.475 0.942 8.272 251 3HZ LYS 483 3HZ LYS 483 -10.165 0.499 6.670 252 H LYS 484 H LYS 484 -3.217 0.569 4.437 253 HA LYS 484 HA LYS 484 -1.306 2.587 5.274 254 1HB LYS 484 2HB LYS 484 -1.768 0.283 6.865 255 2HB LYS 484 1HB LYS 484 -0.207 0.070 6.083 256 1HG LYS 484 2HG LYS 484 0.647 1.311 7.711 257 2HG LYS 484 1HG LYS 484 -0.160 2.692 6.965 258 1HD LYS 484 2HD LYS 484 -2.184 2.132 8.336 259 2HD LYS 484 1HD LYS 484 -1.200 0.936 9.182 260 1HE LYS 484 2HE LYS 484 -0.962 2.734 10.581 261 2HE LYS 484 1HE LYS 484 0.420 2.976 9.513 262 1HZ LYS 484 1HZ LYS 484 -1.972 4.209 8.529 263 2HZ LYS 484 2HZ LYS 484 -0.432 4.871 8.753 264 3HZ LYS 484 3HZ LYS 484 -1.519 4.805 10.047 265 H THR 485 H THR 485 0.955 1.959 4.551 266 HA THR 485 HA THR 485 0.985 0.139 2.264 267 HB THR 485 HB THR 485 0.504 2.104 1.072 268 HG1 THR 485 1HG THR 485 3.331 2.245 1.095 269 1HG2 THR 485 1HG2 THR 485 0.716 4.110 2.015 270 2HG2 THR 485 2HG2 THR 485 2.470 3.989 1.866 271 3HG2 THR 485 3HG2 THR 485 1.665 3.408 3.324 272 H GLN 486 H GLN 486 3.228 -0.221 1.445 273 HA GLN 486 HA GLN 486 5.415 0.556 3.157 274 1HB GLN 486 2HB GLN 486 5.997 -1.922 3.543 275 2HB GLN 486 1HB GLN 486 4.743 -1.204 4.547 276 1HG GLN 486 2HG GLN 486 3.039 -2.324 3.442 277 2HG GLN 486 1HG GLN 486 4.039 -2.645 2.028 278 1HE2 GLN 486 1HE2 GLN 486 5.502 -4.331 2.068 279 2HE2 GLN 486 2HE2 GLN 486 5.435 -5.581 3.254 280 H TRP 487 H TRP 487 7.445 0.121 2.262 281 HA TRP 487 HA TRP 487 7.489 -0.097 -0.582 282 1HB TRP 487 2HB TRP 487 9.445 0.430 1.570 283 2HB TRP 487 1HB TRP 487 10.103 -0.313 0.116 284 HD1 TRP 487 HD TRP 487 9.571 2.974 1.514 285 HE1 TRP 487 1HE TRP 487 9.525 4.793 -0.306 286 HE3 TRP 487 3HE TRP 487 8.976 -0.005 -2.596 287 HZ2 TRP 487 2HZ TRP 487 9.268 4.945 -3.113 288 HZ3 TRP 487 3HZ TRP 487 8.839 1.055 -4.811 289 HH2 TRP 487 HH TRP 487 8.982 3.480 -5.064 290 H GLU 488 H GLU 488 8.423 -2.221 2.087 291 HA GLU 488 HA GLU 488 9.618 -4.246 0.553 292 1HB GLU 488 2HB GLU 488 8.725 -3.896 3.299 293 2HB GLU 488 1HB GLU 488 8.466 -5.540 2.729 294 1HG GLU 488 2HG GLU 488 10.679 -5.988 2.573 295 2HG GLU 488 1HG GLU 488 11.100 -4.327 2.161 296 H ASP 489 H ASP 489 8.612 -6.580 0.679 297 HA ASP 489 HA ASP 489 5.992 -6.401 -0.636 298 1HB ASP 489 2HB ASP 489 8.164 -8.495 -0.812 299 2HB ASP 489 1HB ASP 489 6.587 -8.645 -1.581 300 HA PRO 490 HA PRO 490 4.596 -8.394 3.182 301 1HB PRO 490 2HB PRO 490 1.949 -8.167 2.686 302 2HB PRO 490 1HB PRO 490 2.927 -6.808 3.253 303 1HG PRO 490 2HG PRO 490 2.043 -7.472 0.469 304 2HG PRO 490 1HG PRO 490 2.038 -5.905 1.295 305 1HD PRO 490 2HD PRO 490 3.971 -6.617 -0.460 306 2HD PRO 490 1HD PRO 490 4.290 -5.566 0.934 307 H ARG 491 H ARG 491 3.527 -9.142 -0.090 308 HA ARG 491 HA ARG 491 2.358 -11.660 0.582 309 1HB ARG 491 2HB ARG 491 2.528 -12.010 -1.957 310 2HB ARG 491 1HB ARG 491 1.501 -10.708 -1.374 311 1HG ARG 491 2HG ARG 491 3.024 -9.058 -2.024 312 2HG ARG 491 1HG ARG 491 4.344 -10.219 -2.188 313 1HD ARG 491 2HD ARG 491 1.884 -10.099 -3.929 314 2HD ARG 491 1HD ARG 491 3.478 -9.485 -4.366 315 HE ARG 491 HE ARG 491 3.861 -12.125 -3.706 316 1HH1 ARG 491 1HH1 ARG 491 1.948 -10.359 -6.017 317 2HH1 ARG 491 2HH1 ARG 491 1.970 -11.625 -7.199 318 1HH2 ARG 491 1HH2 ARG 491 3.900 -13.800 -5.255 319 2HH2 ARG 491 2HH2 ARG 491 3.080 -13.583 -6.765 320 H MET 492 H MET 492 5.579 -10.621 0.173 321 HA MET 492 HA MET 492 6.595 -13.175 -0.717 322 1HB MET 492 2HB MET 492 7.546 -10.656 -0.958 323 2HB MET 492 1HB MET 492 8.451 -11.188 0.453 324 1HG MET 492 2HG MET 492 9.788 -11.634 -1.443 325 2HG MET 492 1HG MET 492 9.172 -13.183 -0.870 326 1HE MET 492 1HE MET 492 10.514 -13.201 -3.158 327 2HE MET 492 2HE MET 492 9.797 -12.862 -4.733 328 3HE MET 492 3HE MET 492 9.450 -14.386 -3.915 329 H GLN 493 H GLN 493 6.057 -11.513 2.285 330 HA GLN 493 HA GLN 493 7.675 -13.392 3.801 331 1HB GLN 493 2HB GLN 493 7.680 -11.064 4.505 332 2HB GLN 493 1HB GLN 493 5.931 -11.085 4.681 333 1HG GLN 493 2HG GLN 493 6.234 -11.607 6.806 334 2HG GLN 493 1HG GLN 493 6.823 -13.181 6.272 335 1HE2 GLN 493 1HE2 GLN 493 9.206 -12.285 5.053 336 2HE2 GLN 493 2HE2 GLN 493 10.280 -11.765 6.303 337 H ASN 494 H ASN 494 6.168 -15.095 2.776 338 HA ASN 494 HA ASN 494 3.553 -15.368 3.921 339 1HB ASN 494 2HB ASN 494 5.170 -17.494 2.508 340 2HB ASN 494 1HB ASN 494 3.421 -17.439 2.711 341 1HD2 ASN 494 1HD2 ASN 494 2.262 -15.733 1.623 342 2HD2 ASN 494 2HD2 ASN 494 2.875 -15.105 0.134 343 H VAL 495 H VAL 495 6.458 -17.432 4.173 344 HA VAL 495 HA VAL 495 6.138 -17.682 7.019 345 HB VAL 495 HB VAL 495 4.461 -19.299 6.344 346 1HG1 VAL 495 1HG1 VAL 495 6.467 -20.013 4.356 347 2HG1 VAL 495 2HG1 VAL 495 4.723 -20.266 4.348 348 3HG1 VAL 495 3HG1 VAL 495 5.776 -21.412 5.176 349 1HG2 VAL 495 1HG2 VAL 495 6.639 -19.812 8.007 350 2HG2 VAL 495 2HG2 VAL 495 6.412 -21.292 7.077 351 3HG2 VAL 495 3HG2 VAL 495 5.076 -20.628 8.018 352 H ALA 496 H ALA 496 8.281 -16.772 6.703 353 HA ALA 496 HA ALA 496 10.304 -18.755 6.903 354 1HB ALA 496 1HB ALA 496 9.887 -18.527 4.381 355 2HB ALA 496 2HB ALA 496 11.550 -18.430 4.956 356 3HB ALA 496 3HB ALA 496 10.678 -16.958 4.531 357 H ILE 497 H ILE 497 10.257 -17.441 8.888 358 HA ILE 497 HA ILE 497 12.310 -15.415 8.784 359 HB ILE 497 HB ILE 497 10.818 -13.835 10.185 360 1HG1 ILE 497 2HG1 ILE 497 8.483 -14.560 8.615 361 2HG1 ILE 497 1HG1 ILE 497 8.962 -15.864 9.698 362 1HG2 ILE 497 1HG2 ILE 497 10.784 -12.529 8.369 363 2HG2 ILE 497 2HG2 ILE 497 9.810 -13.676 7.448 364 3HG2 ILE 497 3HG2 ILE 497 11.558 -13.887 7.554 365 1HD1 ILE 497 1HD1 ILE 497 7.320 -14.396 10.736 366 2HD1 ILE 497 2HD1 ILE 497 8.406 -13.022 10.522 367 3HD1 ILE 497 3HD1 ILE 497 8.860 -14.345 11.595 368 H THR 498 H THR 498 12.606 -17.784 9.942 369 HA THR 498 HA THR 498 11.739 -18.001 12.624 370 HB THR 498 HB THR 498 13.611 -19.655 12.860 371 HG1 THR 498 1HG THR 498 15.172 -19.521 11.449 372 1HG2 THR 498 1HG2 THR 498 11.838 -19.965 10.434 373 2HG2 THR 498 2HG2 THR 498 11.409 -20.371 12.095 374 3HG2 THR 498 3HG2 THR 498 12.673 -21.278 11.265 375 H GLY 499 H GLY 499 12.239 -16.637 14.207 376 1HA GLY 499 2HA GLY 499 14.412 -16.192 15.564 377 2HA GLY 499 1HA GLY 499 14.834 -15.260 14.135 378 1H GLY 605 1HT GLY 605 1.104 -10.044 11.474 379 2H GLY 605 2HT GLY 605 1.354 -11.605 10.875 380 3H GLY 605 3HT GLY 605 1.034 -10.331 9.808 381 1HA GLY 605 1HA GLY 605 3.407 -10.338 11.572 382 2HA GLY 605 2HA GLY 605 3.431 -11.093 9.986 383 H SER 606 H SER 606 4.984 -8.831 10.957 384 HA SER 606 HA SER 606 4.584 -7.092 8.711 385 1HB SER 606 2HB SER 606 2.994 -6.327 10.656 386 2HB SER 606 1HB SER 606 4.477 -5.671 11.349 387 HG SER 606 HG SER 606 2.962 -4.658 9.401 388 H THR 607 H THR 607 6.106 -7.216 11.932 389 HA THR 607 HA THR 607 8.284 -7.067 12.580 390 HB THR 607 HB THR 607 9.450 -7.054 9.872 391 HG1 THR 607 1HG THR 607 8.516 -8.833 9.180 392 1HG2 THR 607 1HG2 THR 607 11.145 -7.857 11.073 393 2HG2 THR 607 2HG2 THR 607 10.193 -9.293 11.453 394 3HG2 THR 607 3HG2 THR 607 10.123 -7.883 12.511 395 H LEU 608 H LEU 608 8.269 -5.429 9.405 396 HA LEU 608 HA LEU 608 8.866 -3.322 8.784 397 1HB LEU 608 2HB LEU 608 6.942 -2.671 10.104 398 2HB LEU 608 1HB LEU 608 7.894 -2.715 11.575 399 HG LEU 608 HG LEU 608 9.155 -0.918 9.753 400 1HD1 LEU 608 1HD1 LEU 608 6.569 0.300 10.323 401 2HD1 LEU 608 2HD1 LEU 608 6.485 -1.015 9.152 402 3HD1 LEU 608 3HD1 LEU 608 7.554 0.356 8.862 403 1HD2 LEU 608 1HD2 LEU 608 8.061 0.612 11.726 404 2HD2 LEU 608 2HD2 LEU 608 9.584 -0.267 11.853 405 3HD2 LEU 608 3HD2 LEU 608 8.099 -0.981 12.481 406 HA PRO 609 HA PRO 609 12.867 -3.777 11.209 407 1HB PRO 609 2HB PRO 609 14.422 -4.541 9.125 408 2HB PRO 609 1HB PRO 609 13.516 -5.692 10.114 409 1HG PRO 609 2HG PRO 609 12.832 -4.549 7.434 410 2HG PRO 609 1HG PRO 609 12.676 -6.218 8.012 411 1HD PRO 609 2HD PRO 609 10.577 -4.507 7.889 412 2HD PRO 609 1HD PRO 609 10.703 -5.786 9.112 413 H ILE 610 H ILE 610 12.104 -2.395 8.056 414 HA ILE 610 HA ILE 610 13.838 -0.111 8.715 415 HB ILE 610 HB ILE 610 13.517 -1.260 5.940 416 1HG1 ILE 610 2HG1 ILE 610 15.907 -1.376 7.795 417 2HG1 ILE 610 1HG1 ILE 610 14.841 -2.731 7.435 418 1HG2 ILE 610 1HG2 ILE 610 14.845 0.431 5.156 419 2HG2 ILE 610 2HG2 ILE 610 15.634 0.683 6.713 420 3HG2 ILE 610 3HG2 ILE 610 13.994 1.277 6.449 421 1HD1 ILE 610 1HD1 ILE 610 15.671 -2.992 5.316 422 2HD1 ILE 610 2HD1 ILE 610 17.107 -2.453 6.186 423 3HD1 ILE 610 3HD1 ILE 610 16.195 -1.313 5.197 424 HA PRO 611 HA PRO 611 9.505 1.320 7.871 425 1HB PRO 611 2HB PRO 611 9.614 3.337 9.711 426 2HB PRO 611 1HB PRO 611 9.104 1.690 10.095 427 1HG PRO 611 2HG PRO 611 11.762 2.998 10.513 428 2HG PRO 611 1HG PRO 611 10.861 1.919 11.595 429 1HD PRO 611 2HD PRO 611 12.929 1.048 10.099 430 2HD PRO 611 1HD PRO 611 11.528 0.019 10.461 431 H GLY 612 H GLY 612 12.451 3.219 8.416 432 1HA GLY 612 2HA GLY 612 13.072 5.306 7.586 433 2HA GLY 612 1HA GLY 612 12.887 4.417 6.086 434 H THR 613 H THR 613 11.202 4.897 4.722 435 HA THR 613 HA THR 613 9.175 6.806 5.601 436 HB THR 613 HB THR 613 9.550 8.151 3.482 437 HG1 THR 613 1HG THR 613 12.127 6.939 3.594 438 1HG2 THR 613 1HG2 THR 613 10.854 9.663 4.608 439 2HG2 THR 613 2HG2 THR 613 11.978 8.431 5.182 440 3HG2 THR 613 3HG2 THR 613 10.399 8.610 5.949 441 HA PRO 614 HA PRO 614 7.293 3.414 3.118 442 1HB PRO 614 2HB PRO 614 4.912 4.558 4.476 443 2HB PRO 614 1HB PRO 614 5.422 2.873 4.325 444 1HG PRO 614 2HG PRO 614 5.680 4.176 6.636 445 2HG PRO 614 1HG PRO 614 6.918 3.031 6.089 446 1HD PRO 614 2HD PRO 614 6.943 6.021 6.039 447 2HD PRO 614 1HD PRO 614 8.262 4.888 6.396 448 HA PRO 615 HA PRO 615 5.918 5.742 -0.371 449 1HB PRO 615 2HB PRO 615 3.661 3.802 -0.503 450 2HB PRO 615 1HB PRO 615 4.816 4.271 -1.755 451 1HG PRO 615 2HG PRO 615 5.031 1.922 -0.516 452 2HG PRO 615 1HG PRO 615 6.471 2.866 -0.945 453 1HD PRO 615 2HD PRO 615 5.172 2.487 1.714 454 2HD PRO 615 1HD PRO 615 6.893 2.655 1.310 455 HA PRO 616 HA PRO 616 2.466 8.400 0.368 456 1HB PRO 616 2HB PRO 616 0.783 7.177 -1.751 457 2HB PRO 616 1HB PRO 616 1.299 8.855 -1.549 458 1HG PRO 616 2HG PRO 616 2.394 7.305 -3.422 459 2HG PRO 616 1HG PRO 616 3.372 8.474 -2.514 460 1HD PRO 616 2HD PRO 616 3.180 5.506 -2.195 461 2HD PRO 616 1HD PRO 616 4.600 6.566 -2.067 462 H ASN 617 H ASN 617 1.422 8.057 2.226 463 HA ASN 617 HA ASN 617 0.146 5.697 3.006 464 1HB ASN 617 2HB ASN 617 0.774 8.099 4.215 465 2HB ASN 617 1HB ASN 617 -0.987 8.114 4.209 466 1HD2 ASN 617 1HD2 ASN 617 1.330 5.459 4.539 467 2HD2 ASN 617 2HD2 ASN 617 0.761 4.923 6.079 468 H TYR 618 H TYR 618 -2.095 5.202 3.262 469 HA TYR 618 HA TYR 618 -3.654 5.676 0.990 470 1HB TYR 618 2HB TYR 618 -3.961 3.734 2.489 471 2HB TYR 618 1HB TYR 618 -4.601 4.806 3.730 472 HD1 TYR 618 1HD TYR 618 -6.893 5.156 3.852 473 HD2 TYR 618 2HD TYR 618 -5.210 3.783 0.195 474 HE1 TYR 618 1HE TYR 618 -9.153 4.900 2.915 475 HE2 TYR 618 2HE TYR 618 -7.464 3.523 -0.752 476 HH TYR 618 HH TYR 618 -9.934 4.839 -0.008 477 H ASP 619 H ASP 619 -3.515 7.322 4.085 478 HA ASP 619 HA ASP 619 -5.863 8.864 3.796 479 1HB ASP 619 2HB ASP 619 -4.628 8.550 5.942 480 2HB ASP 619 1HB ASP 619 -3.351 9.591 5.319 481 H SER 620 H SER 620 -2.669 9.137 2.487 482 HA SER 620 HA SER 620 -3.134 11.866 1.563 483 1HB SER 620 2HB SER 620 -0.863 10.657 2.443 484 2HB SER 620 1HB SER 620 -0.685 10.457 0.700 485 HG SER 620 HG SER 620 -0.299 12.649 2.171 486 H LEU 621 H LEU 621 -3.240 8.604 0.437 487 HA LEU 621 HA LEU 621 -2.963 9.170 -2.346 488 1HB LEU 621 2HB LEU 621 -3.729 6.825 -0.694 489 2HB LEU 621 1HB LEU 621 -4.267 6.831 -2.363 490 HG LEU 621 HG LEU 621 -1.388 7.127 -1.503 491 1HD1 LEU 621 1HD1 LEU 621 -1.808 4.728 -2.906 492 2HD1 LEU 621 2HD1 LEU 621 -3.049 4.804 -1.656 493 3HD1 LEU 621 3HD1 LEU 621 -1.347 4.930 -1.216 494 1HD2 LEU 621 1HD2 LEU 621 -1.750 8.158 -3.628 495 2HD2 LEU 621 2HD2 LEU 621 -2.707 6.788 -4.190 496 3HD2 LEU 621 3HD2 LEU 621 -0.977 6.598 -3.909 Start of MODEL 4 1 1H GLY 450 1HT GLY 450 4.477 -23.923 -17.486 2 2H GLY 450 2HT GLY 450 4.075 -24.247 -15.875 3 3H GLY 450 3HT GLY 450 5.437 -24.972 -16.569 4 1HA GLY 450 1HA GLY 450 6.701 -23.082 -16.484 5 2HA GLY 450 2HA GLY 450 5.284 -22.044 -16.503 6 H SER 451 H SER 451 3.836 -22.333 -14.500 7 HA SER 451 HA SER 451 5.317 -21.598 -12.234 8 1HB SER 451 2HB SER 451 3.236 -21.540 -11.061 9 2HB SER 451 1HB SER 451 2.889 -21.047 -12.718 10 HG SER 451 HG SER 451 1.432 -22.650 -11.766 11 HA PRO 452 HA PRO 452 6.496 -25.459 -10.454 12 1HB PRO 452 2HB PRO 452 6.569 -24.814 -7.821 13 2HB PRO 452 1HB PRO 452 7.780 -24.250 -8.979 14 1HG PRO 452 2HG PRO 452 5.394 -22.811 -7.882 15 2HG PRO 452 1HG PRO 452 7.043 -22.212 -8.134 16 1HD PRO 452 2HD PRO 452 5.017 -21.683 -9.855 17 2HD PRO 452 1HD PRO 452 6.703 -21.852 -10.385 18 H VAL 453 H VAL 453 5.857 -26.963 -8.568 19 HA VAL 453 HA VAL 453 3.038 -27.485 -8.814 20 HB VAL 453 HB VAL 453 3.475 -29.488 -7.483 21 1HG1 VAL 453 1HG1 VAL 453 3.925 -29.548 -9.884 22 2HG1 VAL 453 2HG1 VAL 453 5.037 -30.594 -9.002 23 3HG1 VAL 453 3HG1 VAL 453 5.583 -29.024 -9.591 24 1HG2 VAL 453 1HG2 VAL 453 5.080 -28.583 -5.907 25 2HG2 VAL 453 2HG2 VAL 453 6.264 -28.375 -7.197 26 3HG2 VAL 453 3HG2 VAL 453 5.760 -29.995 -6.717 27 H ASP 454 H ASP 454 5.112 -25.971 -6.499 28 HA ASP 454 HA ASP 454 2.975 -24.922 -5.002 29 1HB ASP 454 2HB ASP 454 3.318 -27.505 -4.300 30 2HB ASP 454 1HB ASP 454 4.470 -26.743 -3.206 31 H SER 455 H SER 455 3.657 -23.147 -3.957 32 HA SER 455 HA SER 455 6.228 -22.919 -2.747 33 1HB SER 455 2HB SER 455 7.335 -21.458 -4.210 34 2HB SER 455 1HB SER 455 6.627 -22.654 -5.294 35 HG SER 455 HG SER 455 5.480 -21.130 -6.159 36 H ASN 456 H ASN 456 3.795 -20.854 -4.345 37 HA ASN 456 HA ASN 456 3.021 -19.722 -1.803 38 1HB ASN 456 2HB ASN 456 4.955 -18.331 -2.330 39 2HB ASN 456 1HB ASN 456 4.302 -17.993 -3.931 40 1HD2 ASN 456 1HD2 ASN 456 2.824 -18.033 -0.709 41 2HD2 ASN 456 2HD2 ASN 456 2.242 -16.407 -0.769 42 H ASP 457 H ASP 457 2.841 -18.509 -5.141 43 HA ASP 457 HA ASP 457 1.056 -17.906 -6.425 44 1HB ASP 457 2HB ASP 457 0.291 -20.579 -5.305 45 2HB ASP 457 1HB ASP 457 -0.849 -19.700 -6.320 46 H LEU 458 H LEU 458 0.418 -16.006 -5.431 47 HA LEU 458 HA LEU 458 -1.829 -16.245 -3.539 48 1HB LEU 458 2HB LEU 458 0.162 -13.999 -3.854 49 2HB LEU 458 1HB LEU 458 -1.214 -13.973 -2.768 50 HG LEU 458 HG LEU 458 0.986 -16.023 -2.580 51 1HD1 LEU 458 1HD1 LEU 458 2.217 -14.183 -2.048 52 2HD1 LEU 458 2HD1 LEU 458 1.476 -14.497 -0.478 53 3HD1 LEU 458 3HD1 LEU 458 0.810 -13.252 -1.534 54 1HD2 LEU 458 1HD2 LEU 458 -1.394 -16.323 -1.571 55 2HD2 LEU 458 2HD2 LEU 458 -0.831 -15.157 -0.373 56 3HD2 LEU 458 3HD2 LEU 458 0.027 -16.683 -0.589 57 H GLY 459 H GLY 459 -0.721 -14.908 -6.546 58 1HA GLY 459 2HA GLY 459 -2.098 -14.206 -8.302 59 2HA GLY 459 1HA GLY 459 -3.446 -14.113 -7.179 60 HA PRO 460 HA PRO 460 -2.388 -9.744 -8.134 61 1HB PRO 460 2HB PRO 460 -4.894 -8.820 -7.540 62 2HB PRO 460 1HB PRO 460 -4.428 -9.435 -9.129 63 1HG PRO 460 2HG PRO 460 -5.879 -10.825 -6.911 64 2HG PRO 460 1HG PRO 460 -6.207 -10.854 -8.654 65 1HD PRO 460 2HD PRO 460 -4.929 -12.873 -7.419 66 2HD PRO 460 1HD PRO 460 -4.514 -12.377 -9.073 67 H LEU 461 H LEU 461 -1.133 -10.291 -6.049 68 HA LEU 461 HA LEU 461 -0.494 -9.627 -3.970 69 1HB LEU 461 2HB LEU 461 -2.772 -7.671 -3.947 70 2HB LEU 461 1HB LEU 461 -1.211 -7.540 -3.158 71 HG LEU 461 HG LEU 461 -1.555 -7.482 -6.152 72 1HD1 LEU 461 1HD1 LEU 461 -2.477 -5.554 -4.419 73 2HD1 LEU 461 2HD1 LEU 461 -2.058 -5.311 -6.114 74 3HD1 LEU 461 3HD1 LEU 461 -0.871 -4.971 -4.854 75 1HD2 LEU 461 1HD2 LEU 461 0.661 -7.987 -5.775 76 2HD2 LEU 461 2HD2 LEU 461 0.718 -7.093 -4.257 77 3HD2 LEU 461 3HD2 LEU 461 0.705 -6.223 -5.792 78 HA PRO 462 HA PRO 462 -2.980 -11.656 -0.956 79 1HB PRO 462 2HB PRO 462 -2.532 -9.617 1.094 80 2HB PRO 462 1HB PRO 462 -1.918 -11.268 1.011 81 1HG PRO 462 2HG PRO 462 -0.319 -9.118 0.688 82 2HG PRO 462 1HG PRO 462 -0.033 -10.652 -0.156 83 1HD PRO 462 2HD PRO 462 -1.293 -8.132 -1.177 84 2HD PRO 462 1HD PRO 462 -0.135 -9.217 -1.977 85 HA PRO 463 HA PRO 463 -6.994 -9.899 -0.344 86 1HB PRO 463 2HB PRO 463 -7.710 -10.566 2.179 87 2HB PRO 463 1HB PRO 463 -7.583 -11.758 0.881 88 1HG PRO 463 2HG PRO 463 -5.636 -11.113 3.058 89 2HG PRO 463 1HG PRO 463 -6.120 -12.696 2.420 90 1HD PRO 463 2HD PRO 463 -3.808 -11.445 1.712 91 2HD PRO 463 1HD PRO 463 -4.680 -12.553 0.634 92 H GLY 464 H GLY 464 -7.451 -7.797 -0.198 93 1HA GLY 464 2HA GLY 464 -7.839 -5.753 0.843 94 2HA GLY 464 1HA GLY 464 -7.099 -6.390 2.306 95 H TRP 465 H TRP 465 -5.692 -6.348 -0.919 96 HA TRP 465 HA TRP 465 -3.794 -4.261 -0.091 97 1HB TRP 465 2HB TRP 465 -3.159 -7.052 -1.005 98 2HB TRP 465 1HB TRP 465 -2.038 -5.737 -1.336 99 HD1 TRP 465 HD TRP 465 -3.425 -7.819 1.548 100 HE1 TRP 465 1HE TRP 465 -1.903 -7.464 3.595 101 HE3 TRP 465 3HE TRP 465 -0.496 -4.048 -0.269 102 HZ2 TRP 465 2HZ TRP 465 0.253 -5.808 4.328 103 HZ3 TRP 465 3HZ TRP 465 1.278 -3.133 1.174 104 HH2 TRP 465 HH TRP 465 1.639 -3.995 3.428 105 H GLU 466 H GLU 466 -2.533 -3.414 -1.939 106 HA GLU 466 HA GLU 466 -3.669 -3.846 -4.575 107 1HB GLU 466 2HB GLU 466 -4.315 -1.546 -2.890 108 2HB GLU 466 1HB GLU 466 -3.687 -1.095 -4.467 109 1HG GLU 466 2HG GLU 466 -5.967 -1.182 -4.805 110 2HG GLU 466 1HG GLU 466 -5.420 -2.750 -5.396 111 H GLU 467 H GLU 467 -2.355 -3.112 -6.266 112 HA GLU 467 HA GLU 467 0.400 -2.538 -5.471 113 1HB GLU 467 2HB GLU 467 1.021 -3.194 -7.719 114 2HB GLU 467 1HB GLU 467 -0.032 -4.419 -7.025 115 1HG GLU 467 2HG GLU 467 -1.871 -2.920 -8.257 116 2HG GLU 467 1HG GLU 467 -0.483 -2.591 -9.295 117 H ARG 468 H ARG 468 0.662 -0.395 -5.150 118 HA ARG 468 HA ARG 468 -0.470 1.475 -7.104 119 1HB ARG 468 2HB ARG 468 0.198 1.609 -4.252 120 2HB ARG 468 1HB ARG 468 0.691 3.028 -5.163 121 1HG ARG 468 2HG ARG 468 -2.058 2.017 -5.598 122 2HG ARG 468 1HG ARG 468 -1.707 2.799 -4.055 123 1HD ARG 468 2HD ARG 468 -2.562 4.369 -5.759 124 2HD ARG 468 1HD ARG 468 -0.951 4.789 -5.182 125 HE ARG 468 HE ARG 468 -0.184 4.517 -7.310 126 1HH1 ARG 468 1HH1 ARG 468 -3.199 2.807 -6.989 127 2HH1 ARG 468 2HH1 ARG 468 -3.279 2.370 -8.665 128 1HH2 ARG 468 1HH2 ARG 468 -0.279 3.950 -9.518 129 2HH2 ARG 468 2HH2 ARG 468 -1.619 3.020 -10.101 130 H THR 469 H THR 469 0.803 3.017 -8.160 131 HA THR 469 HA THR 469 3.581 2.199 -8.527 132 HB THR 469 HB THR 469 3.581 3.525 -10.531 133 HG1 THR 469 1HG THR 469 2.362 5.246 -10.584 134 1HG2 THR 469 1HG2 THR 469 1.623 1.478 -10.030 135 2HG2 THR 469 2HG2 THR 469 2.564 1.788 -11.489 136 3HG2 THR 469 3HG2 THR 469 1.023 2.610 -11.241 137 H HIS 470 H HIS 470 5.228 3.247 -7.642 138 HA HIS 470 HA HIS 470 4.794 5.650 -6.124 139 1HB HIS 470 2HB HIS 470 6.398 3.660 -5.610 140 2HB HIS 470 1HB HIS 470 7.509 4.501 -6.688 141 HD2 HIS 470 2HD HIS 470 8.926 6.488 -5.551 142 HE1 HIS 470 1HE HIS 470 6.707 6.705 -1.954 143 HE2 HIS 470 2HE HIS 470 8.640 7.686 -3.268 144 H THR 471 H THR 471 6.097 7.594 -6.371 145 HA THR 471 HA THR 471 5.926 8.714 -8.917 146 HB THR 471 HB THR 471 7.737 9.635 -6.678 147 HG1 THR 471 1HG THR 471 5.726 9.647 -5.814 148 1HG2 THR 471 1HG2 THR 471 7.085 10.695 -9.311 149 2HG2 THR 471 2HG2 THR 471 8.359 11.168 -8.188 150 3HG2 THR 471 3HG2 THR 471 6.737 11.837 -8.013 151 H ASP 472 H ASP 472 8.396 6.752 -7.526 152 HA ASP 472 HA ASP 472 10.418 7.579 -9.438 153 1HB ASP 472 2HB ASP 472 10.372 5.602 -7.170 154 2HB ASP 472 1HB ASP 472 11.710 5.653 -8.315 155 H GLY 473 H GLY 473 7.865 5.334 -9.329 156 1HA GLY 473 2HA GLY 473 7.291 4.218 -11.401 157 2HA GLY 473 1HA GLY 473 9.006 3.946 -11.667 158 H ARG 474 H ARG 474 9.121 3.285 -8.651 159 HA ARG 474 HA ARG 474 8.797 0.452 -9.001 160 1HB ARG 474 2HB ARG 474 9.568 2.092 -6.580 161 2HB ARG 474 1HB ARG 474 9.595 0.336 -6.642 162 1HG ARG 474 2HG ARG 474 11.519 0.276 -7.793 163 2HG ARG 474 1HG ARG 474 11.089 1.669 -8.787 164 1HD ARG 474 2HD ARG 474 11.823 3.193 -7.171 165 2HD ARG 474 1HD ARG 474 11.804 1.981 -5.891 166 HE ARG 474 HE ARG 474 13.668 1.355 -7.966 167 1HH1 ARG 474 1HH1 ARG 474 13.182 3.252 -5.089 168 2HH1 ARG 474 2HH1 ARG 474 14.870 3.353 -4.712 169 1HH2 ARG 474 1HH2 ARG 474 15.896 1.481 -7.482 170 2HH2 ARG 474 2HH2 ARG 474 16.413 2.346 -6.073 171 H VAL 475 H VAL 475 6.928 -0.584 -8.747 172 HA VAL 475 HA VAL 475 4.688 0.688 -7.468 173 HB VAL 475 HB VAL 475 4.426 -0.735 -9.471 174 1HG1 VAL 475 1HG1 VAL 475 4.877 -3.142 -7.708 175 2HG1 VAL 475 2HG1 VAL 475 6.167 -2.408 -8.654 176 3HG1 VAL 475 3HG1 VAL 475 4.753 -3.066 -9.470 177 1HG2 VAL 475 1HG2 VAL 475 2.456 -0.338 -8.249 178 2HG2 VAL 475 2HG2 VAL 475 2.920 -1.435 -6.953 179 3HG2 VAL 475 3HG2 VAL 475 2.451 -2.077 -8.530 180 H PHE 476 H PHE 476 4.531 0.761 -5.331 181 HA PHE 476 HA PHE 476 5.662 -1.369 -3.697 182 1HB PHE 476 2HB PHE 476 5.226 0.113 -1.802 183 2HB PHE 476 1HB PHE 476 6.106 0.965 -3.066 184 HD1 PHE 476 1HD PHE 476 2.946 0.664 -1.282 185 HD2 PHE 476 2HD PHE 476 5.054 2.733 -4.341 186 HE1 PHE 476 1HE PHE 476 1.214 2.413 -1.283 187 HE2 PHE 476 2HE PHE 476 3.329 4.488 -4.349 188 HZ PHE 476 HZ PHE 476 1.406 4.330 -2.818 189 H PHE 477 H PHE 477 4.190 -1.716 -1.582 190 HA PHE 477 HA PHE 477 1.584 -2.607 -2.617 191 1HB PHE 477 2HB PHE 477 3.199 -3.701 -0.307 192 2HB PHE 477 1HB PHE 477 1.639 -4.316 -0.844 193 HD1 PHE 477 1HD PHE 477 5.053 -3.614 -2.164 194 HD2 PHE 477 2HD PHE 477 1.596 -6.092 -2.304 195 HE1 PHE 477 1HE PHE 477 6.196 -5.114 -3.744 196 HE2 PHE 477 2HE PHE 477 2.733 -7.596 -3.885 197 HZ PHE 477 HZ PHE 477 5.037 -7.107 -4.607 198 H ILE 478 H ILE 478 -0.272 -2.423 -1.312 199 HA ILE 478 HA ILE 478 -0.096 -0.806 1.110 200 HB ILE 478 HB ILE 478 -0.403 0.806 -0.760 201 1HG1 ILE 478 2HG1 ILE 478 -2.687 0.462 1.182 202 2HG1 ILE 478 1HG1 ILE 478 -1.280 1.503 1.351 203 1HG2 ILE 478 1HG2 ILE 478 -2.996 -0.633 -1.213 204 2HG2 ILE 478 2HG2 ILE 478 -1.597 -0.663 -2.286 205 3HG2 ILE 478 3HG2 ILE 478 -2.476 0.844 -2.024 206 1HD1 ILE 478 1HD1 ILE 478 -2.375 3.191 0.416 207 2HD1 ILE 478 2HD1 ILE 478 -3.817 2.177 0.355 208 3HD1 ILE 478 3HD1 ILE 478 -2.716 2.226 -1.022 209 H ASN 479 H ASN 479 -1.559 -1.448 2.607 210 HA ASN 479 HA ASN 479 -3.475 -3.497 1.792 211 1HB ASN 479 2HB ASN 479 -3.551 -4.183 4.067 212 2HB ASN 479 1HB ASN 479 -1.860 -3.874 3.699 213 1HD2 ASN 479 1HD2 ASN 479 -2.719 -3.973 6.278 214 2HD2 ASN 479 2HD2 ASN 479 -2.659 -2.397 6.982 215 H HIS 480 H HIS 480 -5.654 -3.479 2.785 216 HA HIS 480 HA HIS 480 -6.647 -0.725 3.117 217 1HB HIS 480 2HB HIS 480 -7.525 -2.884 1.325 218 2HB HIS 480 1HB HIS 480 -8.829 -2.088 2.200 219 HD2 HIS 480 2HD HIS 480 -5.712 -0.690 0.195 220 HE1 HIS 480 1HE HIS 480 -9.210 1.481 -0.787 221 HE2 HIS 480 2HE HIS 480 -6.694 1.348 -1.074 222 H ASN 481 H ASN 481 -5.884 -2.945 5.070 223 HA ASN 481 HA ASN 481 -8.447 -3.483 6.350 224 1HB ASN 481 2HB ASN 481 -5.792 -4.238 7.531 225 2HB ASN 481 1HB ASN 481 -7.345 -5.055 7.677 226 1HD2 ASN 481 1HD2 ASN 481 -4.536 -4.564 5.717 227 2HD2 ASN 481 2HD2 ASN 481 -4.821 -5.861 4.613 228 H ILE 482 H ILE 482 -5.404 -1.810 7.028 229 HA ILE 482 HA ILE 482 -6.826 -0.175 9.018 230 HB ILE 482 HB ILE 482 -4.518 -0.052 10.191 231 1HG1 ILE 482 2HG1 ILE 482 -4.261 -2.687 8.724 232 2HG1 ILE 482 1HG1 ILE 482 -3.278 -1.254 8.437 233 1HG2 ILE 482 1HG2 ILE 482 -6.794 -1.664 10.535 234 2HG2 ILE 482 2HG2 ILE 482 -5.610 -1.189 11.752 235 3HG2 ILE 482 3HG2 ILE 482 -5.399 -2.694 10.857 236 1HD1 ILE 482 1HD1 ILE 482 -1.998 -2.738 9.760 237 2HD1 ILE 482 2HD1 ILE 482 -3.331 -2.986 10.888 238 3HD1 ILE 482 3HD1 ILE 482 -2.516 -1.424 10.817 239 H LYS 483 H LYS 483 -6.154 0.234 6.186 240 HA LYS 483 HA LYS 483 -5.178 1.740 4.772 241 1HB LYS 483 2HB LYS 483 -5.667 3.520 7.164 242 2HB LYS 483 1HB LYS 483 -5.394 4.077 5.519 243 1HG LYS 483 2HG LYS 483 -7.734 4.157 5.944 244 2HG LYS 483 1HG LYS 483 -7.432 2.823 4.828 245 1HD LYS 483 2HD LYS 483 -7.851 1.210 6.439 246 2HD LYS 483 1HD LYS 483 -7.524 2.316 7.775 247 1HE LYS 483 2HE LYS 483 -9.953 1.673 7.376 248 2HE LYS 483 1HE LYS 483 -9.597 3.391 7.535 249 1HZ LYS 483 1HZ LYS 483 -10.020 1.916 4.993 250 2HZ LYS 483 2HZ LYS 483 -9.599 3.552 5.104 251 3HZ LYS 483 3HZ LYS 483 -11.089 3.019 5.702 252 H LYS 484 H LYS 484 -3.097 0.727 4.783 253 HA LYS 484 HA LYS 484 -1.025 2.527 5.720 254 1HB LYS 484 2HB LYS 484 -1.656 0.318 7.277 255 2HB LYS 484 1HB LYS 484 -0.274 -0.221 6.331 256 1HG LYS 484 2HG LYS 484 1.035 1.660 7.116 257 2HG LYS 484 1HG LYS 484 -0.356 2.280 8.008 258 1HD LYS 484 2HD LYS 484 0.537 1.146 9.733 259 2HD LYS 484 1HD LYS 484 -0.204 -0.258 8.963 260 1HE LYS 484 2HE LYS 484 1.844 -1.141 8.916 261 2HE LYS 484 1HE LYS 484 2.194 0.012 7.630 262 1HZ LYS 484 1HZ LYS 484 2.654 1.544 9.721 263 2HZ LYS 484 2HZ LYS 484 3.849 0.554 9.050 264 3HZ LYS 484 3HZ LYS 484 3.009 0.048 10.428 265 H THR 485 H THR 485 1.155 1.820 4.898 266 HA THR 485 HA THR 485 1.045 0.111 2.533 267 HB THR 485 HB THR 485 0.626 2.104 1.401 268 HG1 THR 485 1HG THR 485 2.492 1.121 0.541 269 1HG2 THR 485 1HG2 THR 485 2.041 4.194 1.937 270 2HG2 THR 485 2HG2 THR 485 2.399 3.380 3.460 271 3HG2 THR 485 3HG2 THR 485 0.730 3.768 3.037 272 H GLN 486 H GLN 486 3.247 -0.296 1.633 273 HA GLN 486 HA GLN 486 5.510 0.332 3.305 274 1HB GLN 486 2HB GLN 486 6.009 -2.184 3.575 275 2HB GLN 486 1HB GLN 486 4.830 -1.449 4.655 276 1HG GLN 486 2HG GLN 486 3.042 -2.480 3.619 277 2HG GLN 486 1HG GLN 486 3.933 -2.746 2.122 278 1HE2 GLN 486 1HE2 GLN 486 5.529 -4.393 2.078 279 2HE2 GLN 486 2HE2 GLN 486 5.425 -5.740 3.151 280 H TRP 487 H TRP 487 7.469 -0.036 2.301 281 HA TRP 487 HA TRP 487 7.417 -0.210 -0.543 282 1HB TRP 487 2HB TRP 487 9.413 0.319 1.553 283 2HB TRP 487 1HB TRP 487 10.060 -0.476 0.122 284 HD1 TRP 487 HD TRP 487 9.893 2.814 1.373 285 HE1 TRP 487 1HE TRP 487 9.756 4.596 -0.479 286 HE3 TRP 487 3HE TRP 487 8.496 -0.177 -2.531 287 HZ2 TRP 487 2HZ TRP 487 9.137 4.719 -3.230 288 HZ3 TRP 487 3HZ TRP 487 8.152 0.851 -4.740 289 HH2 TRP 487 HH TRP 487 8.466 3.248 -5.081 290 H GLU 488 H GLU 488 8.327 -2.398 2.059 291 HA GLU 488 HA GLU 488 9.552 -4.391 0.513 292 1HB GLU 488 2HB GLU 488 9.068 -3.995 3.191 293 2HB GLU 488 1HB GLU 488 8.052 -5.382 2.824 294 1HG GLU 488 2HG GLU 488 9.796 -6.751 2.684 295 2HG GLU 488 1HG GLU 488 10.705 -5.623 1.677 296 H ASP 489 H ASP 489 8.628 -6.680 0.388 297 HA ASP 489 HA ASP 489 6.021 -6.506 -0.938 298 1HB ASP 489 2HB ASP 489 8.102 -8.699 -1.054 299 2HB ASP 489 1HB ASP 489 6.634 -8.612 -2.023 300 HA PRO 490 HA PRO 490 4.577 -8.530 2.871 301 1HB PRO 490 2HB PRO 490 1.926 -8.248 2.289 302 2HB PRO 490 1HB PRO 490 2.904 -6.972 3.024 303 1HG PRO 490 2HG PRO 490 2.099 -7.334 0.167 304 2HG PRO 490 1HG PRO 490 2.144 -5.853 1.137 305 1HD PRO 490 2HD PRO 490 4.084 -6.477 -0.636 306 2HD PRO 490 1HD PRO 490 4.423 -5.597 0.867 307 H ARG 491 H ARG 491 3.388 -9.119 -0.414 308 HA ARG 491 HA ARG 491 2.296 -11.686 0.200 309 1HB ARG 491 2HB ARG 491 2.227 -11.910 -2.329 310 2HB ARG 491 1HB ARG 491 1.315 -10.577 -1.636 311 1HG ARG 491 2HG ARG 491 2.782 -8.983 -2.435 312 2HG ARG 491 1HG ARG 491 4.111 -10.134 -2.585 313 1HD ARG 491 2HD ARG 491 1.639 -10.007 -4.311 314 2HD ARG 491 1HD ARG 491 3.268 -9.520 -4.780 315 HE ARG 491 HE ARG 491 3.611 -12.095 -4.087 316 1HH1 ARG 491 1HH1 ARG 491 1.313 -10.510 -6.167 317 2HH1 ARG 491 2HH1 ARG 491 1.123 -11.876 -7.216 318 1HH2 ARG 491 1HH2 ARG 491 3.370 -13.901 -5.462 319 2HH2 ARG 491 2HH2 ARG 491 2.293 -13.804 -6.814 320 H MET 492 H MET 492 5.471 -10.583 -0.312 321 HA MET 492 HA MET 492 6.470 -13.048 -1.444 322 1HB MET 492 2HB MET 492 7.391 -10.576 -1.671 323 2HB MET 492 1HB MET 492 8.271 -11.012 -0.213 324 1HG MET 492 2HG MET 492 9.700 -11.454 -2.037 325 2HG MET 492 1HG MET 492 9.135 -13.014 -1.442 326 1HE MET 492 1HE MET 492 9.374 -12.064 -5.637 327 2HE MET 492 2HE MET 492 10.474 -12.687 -4.407 328 3HE MET 492 3HE MET 492 9.931 -11.011 -4.336 329 H GLN 493 H GLN 493 6.294 -11.500 1.702 330 HA GLN 493 HA GLN 493 8.077 -13.082 3.130 331 1HB GLN 493 2HB GLN 493 6.228 -11.090 3.733 332 2HB GLN 493 1HB GLN 493 5.684 -12.478 4.664 333 1HG GLN 493 2HG GLN 493 7.121 -11.309 6.085 334 2HG GLN 493 1HG GLN 493 8.068 -12.676 5.497 335 1HE2 GLN 493 1HE2 GLN 493 9.923 -12.303 4.442 336 2HE2 GLN 493 2HE2 GLN 493 10.531 -10.737 4.040 337 H ASN 494 H ASN 494 8.126 -15.176 3.558 338 HA ASN 494 HA ASN 494 5.781 -16.658 4.261 339 1HB ASN 494 2HB ASN 494 7.015 -16.986 1.549 340 2HB ASN 494 1HB ASN 494 6.321 -18.385 2.363 341 1HD2 ASN 494 1HD2 ASN 494 5.705 -15.509 0.634 342 2HD2 ASN 494 2HD2 ASN 494 3.980 -15.612 0.623 343 H VAL 495 H VAL 495 8.700 -17.805 2.618 344 HA VAL 495 HA VAL 495 10.511 -18.982 3.353 345 HB VAL 495 HB VAL 495 9.687 -18.366 6.185 346 1HG1 VAL 495 1HG1 VAL 495 12.504 -18.484 5.255 347 2HG1 VAL 495 2HG1 VAL 495 11.616 -20.001 5.389 348 3HG1 VAL 495 3HG1 VAL 495 11.799 -18.960 6.801 349 1HG2 VAL 495 1HG2 VAL 495 11.461 -16.643 4.467 350 2HG2 VAL 495 2HG2 VAL 495 10.869 -16.307 6.094 351 3HG2 VAL 495 3HG2 VAL 495 9.749 -16.312 4.731 352 H ALA 496 H ALA 496 8.160 -20.328 2.762 353 HA ALA 496 HA ALA 496 6.912 -22.220 3.168 354 1HB ALA 496 1HB ALA 496 8.222 -24.121 3.053 355 2HB ALA 496 2HB ALA 496 9.469 -23.452 4.107 356 3HB ALA 496 3HB ALA 496 9.312 -22.874 2.449 357 H ILE 497 H ILE 497 7.377 -24.366 4.949 358 HA ILE 497 HA ILE 497 6.742 -25.079 7.017 359 HB ILE 497 HB ILE 497 7.936 -22.549 8.125 360 1HG1 ILE 497 2HG1 ILE 497 9.492 -23.514 6.464 361 2HG1 ILE 497 1HG1 ILE 497 10.117 -23.639 8.107 362 1HG2 ILE 497 1HG2 ILE 497 7.204 -23.617 9.971 363 2HG2 ILE 497 2HG2 ILE 497 8.689 -24.547 9.767 364 3HG2 ILE 497 3HG2 ILE 497 7.157 -25.189 9.172 365 1HD1 ILE 497 1HD1 ILE 497 10.535 -25.673 6.839 366 2HD1 ILE 497 2HD1 ILE 497 8.806 -25.852 6.537 367 3HD1 ILE 497 3HD1 ILE 497 9.432 -25.987 8.180 368 H THR 498 H THR 498 4.833 -23.580 5.540 369 HA THR 498 HA THR 498 3.524 -21.748 7.340 370 HB THR 498 HB THR 498 3.382 -21.416 4.906 371 HG1 THR 498 1HG THR 498 1.263 -20.816 4.970 372 1HG2 THR 498 1HG2 THR 498 1.347 -23.399 4.370 373 2HG2 THR 498 2HG2 THR 498 2.868 -24.158 4.838 374 3HG2 THR 498 3HG2 THR 498 2.823 -23.039 3.476 375 H GLY 499 H GLY 499 1.874 -22.150 8.703 376 1HA GLY 499 2HA GLY 499 0.513 -24.750 8.542 377 2HA GLY 499 1HA GLY 499 1.295 -24.297 10.049 378 1H GLY 605 1HT GLY 605 21.572 -6.596 -7.136 379 2H GLY 605 2HT GLY 605 23.150 -6.841 -6.579 380 3H GLY 605 3HT GLY 605 22.581 -5.270 -6.843 381 1HA GLY 605 1HA GLY 605 20.826 -6.555 -5.070 382 2HA GLY 605 2HA GLY 605 22.471 -6.772 -4.491 383 H SER 606 H SER 606 19.848 -4.843 -4.252 384 HA SER 606 HA SER 606 21.358 -2.354 -3.932 385 1HB SER 606 2HB SER 606 18.390 -2.924 -4.001 386 2HB SER 606 1HB SER 606 19.068 -1.335 -3.646 387 HG SER 606 HG SER 606 18.621 -1.448 -5.833 388 H THR 607 H THR 607 19.520 -4.733 -2.136 389 HA THR 607 HA THR 607 19.543 -5.232 0.098 390 HB THR 607 HB THR 607 21.183 -2.779 0.682 391 HG1 THR 607 1HG THR 607 22.085 -5.292 -0.319 392 1HG2 THR 607 1HG2 THR 607 22.158 -4.546 2.331 393 2HG2 THR 607 2HG2 THR 607 20.660 -5.415 1.998 394 3HG2 THR 607 3HG2 THR 607 20.603 -3.791 2.684 395 H LEU 608 H LEU 608 19.710 -1.667 0.061 396 HA LEU 608 HA LEU 608 18.326 -0.080 0.926 397 1HB LEU 608 2HB LEU 608 16.920 -0.985 -0.937 398 2HB LEU 608 1HB LEU 608 16.142 -2.042 0.226 399 HG LEU 608 HG LEU 608 15.847 0.447 1.377 400 1HD1 LEU 608 1HD1 LEU 608 15.607 0.679 -1.615 401 2HD1 LEU 608 2HD1 LEU 608 16.597 1.654 -0.529 402 3HD1 LEU 608 3HD1 LEU 608 14.840 1.794 -0.482 403 1HD2 LEU 608 1HD2 LEU 608 14.085 -1.331 -0.259 404 2HD2 LEU 608 2HD2 LEU 608 13.479 0.212 0.344 405 3HD2 LEU 608 3HD2 LEU 608 14.056 -1.012 1.476 406 HA PRO 609 HA PRO 609 17.788 -2.557 4.873 407 1HB PRO 609 2HB PRO 609 19.768 -1.420 6.306 408 2HB PRO 609 1HB PRO 609 20.056 -2.784 5.220 409 1HG PRO 609 2HG PRO 609 20.537 0.136 4.763 410 2HG PRO 609 1HG PRO 609 21.573 -1.246 4.356 411 1HD PRO 609 2HD PRO 609 19.973 0.007 2.540 412 2HD PRO 609 1HD PRO 609 20.406 -1.710 2.432 413 H ILE 610 H ILE 610 18.417 0.875 4.301 414 HA ILE 610 HA ILE 610 16.372 1.506 6.323 415 HB ILE 610 HB ILE 610 18.869 3.131 5.830 416 1HG1 ILE 610 2HG1 ILE 610 18.145 1.489 8.265 417 2HG1 ILE 610 1HG1 ILE 610 19.246 0.941 7.004 418 1HG2 ILE 610 1HG2 ILE 610 16.853 4.416 6.487 419 2HG2 ILE 610 2HG2 ILE 610 18.151 4.489 7.679 420 3HG2 ILE 610 3HG2 ILE 610 16.756 3.445 7.957 421 1HD1 ILE 610 1HD1 ILE 610 19.662 2.876 9.173 422 2HD1 ILE 610 2HD1 ILE 610 20.365 3.308 7.614 423 3HD1 ILE 610 3HD1 ILE 610 20.799 1.782 8.385 424 HA PRO 611 HA PRO 611 15.072 3.275 2.247 425 1HB PRO 611 2HB PRO 611 12.439 3.003 3.568 426 2HB PRO 611 1HB PRO 611 12.956 2.463 1.968 427 1HG PRO 611 2HG PRO 611 12.555 0.718 3.951 428 2HG PRO 611 1HG PRO 611 13.868 0.497 2.779 429 1HD PRO 611 2HD PRO 611 13.987 1.525 5.591 430 2HD PRO 611 1HD PRO 611 15.100 0.429 4.743 431 H GLY 612 H GLY 612 13.250 4.008 5.233 432 1HA GLY 612 2HA GLY 612 13.915 6.326 6.136 433 2HA GLY 612 1HA GLY 612 13.429 6.863 4.534 434 H THR 613 H THR 613 11.200 6.600 3.912 435 HA THR 613 HA THR 613 9.340 6.168 6.138 436 HB THR 613 HB THR 613 7.985 8.138 5.145 437 HG1 THR 613 1HG THR 613 9.394 8.439 3.322 438 1HG2 THR 613 1HG2 THR 613 8.650 9.320 6.938 439 2HG2 THR 613 2HG2 THR 613 10.337 9.334 6.421 440 3HG2 THR 613 3HG2 THR 613 9.689 7.935 7.277 441 HA PRO 614 HA PRO 614 7.147 3.603 3.284 442 1HB PRO 614 2HB PRO 614 4.716 4.729 4.585 443 2HB PRO 614 1HB PRO 614 5.186 3.044 4.346 444 1HG PRO 614 2HG PRO 614 5.385 4.175 6.745 445 2HG PRO 614 1HG PRO 614 6.626 3.048 6.165 446 1HD PRO 614 2HD PRO 614 6.706 6.029 6.348 447 2HD PRO 614 1HD PRO 614 7.997 4.844 6.635 448 HA PRO 615 HA PRO 615 5.956 6.096 -0.159 449 1HB PRO 615 2HB PRO 615 3.768 4.126 -0.586 450 2HB PRO 615 1HB PRO 615 5.030 4.667 -1.699 451 1HG PRO 615 2HG PRO 615 5.160 2.264 -0.559 452 2HG PRO 615 1HG PRO 615 6.620 3.240 -0.798 453 1HD PRO 615 2HD PRO 615 5.055 2.747 1.699 454 2HD PRO 615 1HD PRO 615 6.810 2.899 1.478 455 HA PRO 616 HA PRO 616 2.380 8.634 0.405 456 1HB PRO 616 2HB PRO 616 0.853 7.355 -1.803 457 2HB PRO 616 1HB PRO 616 1.259 9.057 -1.551 458 1HG PRO 616 2HG PRO 616 2.530 7.604 -3.391 459 2HG PRO 616 1HG PRO 616 3.391 8.815 -2.423 460 1HD PRO 616 2HD PRO 616 3.389 5.840 -2.175 461 2HD PRO 616 1HD PRO 616 4.715 6.993 -1.925 462 H ASN 617 H ASN 617 1.125 8.344 2.128 463 HA ASN 617 HA ASN 617 0.007 5.912 2.932 464 1HB ASN 617 2HB ASN 617 0.117 8.594 3.918 465 2HB ASN 617 1HB ASN 617 -1.544 8.019 4.044 466 1HD2 ASN 617 1HD2 ASN 617 -1.726 5.749 4.951 467 2HD2 ASN 617 2HD2 ASN 617 -0.733 5.390 6.318 468 H TYR 618 H TYR 618 -2.171 5.199 3.018 469 HA TYR 618 HA TYR 618 -3.592 5.487 0.609 470 1HB TYR 618 2HB TYR 618 -3.794 3.467 1.930 471 2HB TYR 618 1HB TYR 618 -4.468 4.373 3.281 472 HD1 TYR 618 1HD TYR 618 -5.178 3.941 -0.370 473 HD2 TYR 618 2HD TYR 618 -6.739 4.158 3.581 474 HE1 TYR 618 1HE TYR 618 -7.442 3.559 -1.250 475 HE2 TYR 618 2HE TYR 618 -9.008 3.774 2.712 476 HH TYR 618 HH TYR 618 -10.174 4.202 0.360 477 H ASP 619 H ASP 619 -3.924 7.042 3.744 478 HA ASP 619 HA ASP 619 -6.432 8.252 3.295 479 1HB ASP 619 2HB ASP 619 -5.177 8.022 5.508 480 2HB ASP 619 1HB ASP 619 -4.240 9.425 5.002 481 H SER 620 H SER 620 -3.241 9.000 2.198 482 HA SER 620 HA SER 620 -4.057 11.662 1.297 483 1HB SER 620 2HB SER 620 -1.585 10.526 2.167 484 2HB SER 620 1HB SER 620 -1.390 11.061 0.498 485 HG SER 620 HG SER 620 -1.574 12.533 2.755 486 H LEU 621 H LEU 621 -3.487 8.457 0.142 487 HA LEU 621 HA LEU 621 -3.054 9.123 -2.598 488 1HB LEU 621 2HB LEU 621 -3.607 6.637 -1.055 489 2HB LEU 621 1HB LEU 621 -3.889 6.608 -2.786 490 HG LEU 621 HG LEU 621 -1.261 7.350 -1.500 491 1HD1 LEU 621 1HD1 LEU 621 -0.579 5.206 -1.614 492 2HD1 LEU 621 2HD1 LEU 621 -1.527 4.868 -3.062 493 3HD1 LEU 621 3HD1 LEU 621 -2.305 4.870 -1.479 494 1HD2 LEU 621 1HD2 LEU 621 -2.123 6.944 -4.355 495 2HD2 LEU 621 2HD2 LEU 621 -0.436 6.947 -3.845 496 3HD2 LEU 621 3HD2 LEU 621 -1.425 8.390 -3.626 Start of MODEL 5 1 1H GLY 450 1HT GLY 450 15.281 -17.572 -12.057 2 2H GLY 450 2HT GLY 450 15.289 -16.354 -13.231 3 3H GLY 450 3HT GLY 450 16.573 -17.452 -13.145 4 1HA GLY 450 1HA GLY 450 15.137 -18.013 -14.991 5 2HA GLY 450 2HA GLY 450 15.110 -19.270 -13.763 6 H SER 451 H SER 451 13.356 -18.779 -11.997 7 HA SER 451 HA SER 451 11.062 -17.342 -12.504 8 1HB SER 451 2HB SER 451 10.285 -18.377 -14.372 9 2HB SER 451 1HB SER 451 11.236 -19.832 -14.088 10 HG SER 451 HG SER 451 8.749 -19.114 -12.939 11 HA PRO 452 HA PRO 452 10.054 -21.207 -9.552 12 1HB PRO 452 2HB PRO 452 12.921 -21.943 -9.165 13 2HB PRO 452 1HB PRO 452 11.485 -22.973 -9.163 14 1HG PRO 452 2HG PRO 452 13.116 -22.928 -11.265 15 2HG PRO 452 1HG PRO 452 11.358 -23.031 -11.477 16 1HD PRO 452 2HD PRO 452 13.184 -20.712 -11.884 17 2HD PRO 452 1HD PRO 452 11.704 -21.154 -12.756 18 H VAL 453 H VAL 453 9.778 -20.643 -7.464 19 HA VAL 453 HA VAL 453 9.847 -19.282 -5.631 20 HB VAL 453 HB VAL 453 11.865 -19.432 -4.318 21 1HG1 VAL 453 1HG1 VAL 453 10.795 -21.444 -4.112 22 2HG1 VAL 453 2HG1 VAL 453 12.355 -21.980 -4.738 23 3HG1 VAL 453 3HG1 VAL 453 10.971 -21.838 -5.822 24 1HG2 VAL 453 1HG2 VAL 453 13.969 -20.176 -5.154 25 2HG2 VAL 453 2HG2 VAL 453 13.414 -18.883 -6.218 26 3HG2 VAL 453 3HG2 VAL 453 13.274 -20.566 -6.728 27 H ASP 454 H ASP 454 11.560 -17.528 -4.538 28 HA ASP 454 HA ASP 454 12.177 -15.341 -4.606 29 1HB ASP 454 2HB ASP 454 13.957 -16.494 -6.072 30 2HB ASP 454 1HB ASP 454 13.095 -15.789 -7.436 31 H SER 455 H SER 455 9.493 -16.083 -5.546 32 HA SER 455 HA SER 455 8.713 -13.529 -6.537 33 1HB SER 455 2HB SER 455 9.536 -14.680 -8.630 34 2HB SER 455 1HB SER 455 8.222 -15.839 -8.422 35 HG SER 455 HG SER 455 7.481 -14.241 -9.768 36 H ASN 456 H ASN 456 7.767 -16.928 -6.187 37 HA ASN 456 HA ASN 456 5.946 -17.902 -5.229 38 1HB ASN 456 2HB ASN 456 6.195 -15.341 -3.862 39 2HB ASN 456 1HB ASN 456 4.525 -15.897 -3.929 40 1HD2 ASN 456 1HD2 ASN 456 4.375 -18.364 -3.464 41 2HD2 ASN 456 2HD2 ASN 456 5.224 -18.886 -2.053 42 H ASP 457 H ASP 457 3.855 -18.359 -5.826 43 HA ASP 457 HA ASP 457 2.698 -16.551 -7.839 44 1HB ASP 457 2HB ASP 457 2.392 -19.539 -7.479 45 2HB ASP 457 1HB ASP 457 1.500 -18.588 -8.662 46 H LEU 458 H LEU 458 1.803 -15.335 -5.988 47 HA LEU 458 HA LEU 458 -0.423 -16.643 -4.620 48 1HB LEU 458 2HB LEU 458 1.342 -14.410 -4.057 49 2HB LEU 458 1HB LEU 458 -0.340 -13.972 -3.830 50 HG LEU 458 HG LEU 458 1.026 -16.318 -2.508 51 1HD1 LEU 458 1HD1 LEU 458 0.406 -13.539 -1.556 52 2HD1 LEU 458 2HD1 LEU 458 1.950 -14.389 -1.534 53 3HD1 LEU 458 3HD1 LEU 458 0.655 -14.886 -0.445 54 1HD2 LEU 458 1HD2 LEU 458 -0.948 -16.782 -1.425 55 2HD2 LEU 458 2HD2 LEU 458 -1.537 -16.291 -3.013 56 3HD2 LEU 458 3HD2 LEU 458 -1.588 -15.156 -1.664 57 H GLY 459 H GLY 459 0.238 -14.346 -7.137 58 1HA GLY 459 2HA GLY 459 -1.431 -13.966 -8.830 59 2HA GLY 459 1HA GLY 459 -2.663 -14.102 -7.585 60 HA PRO 460 HA PRO 460 -2.201 -9.605 -8.274 61 1HB PRO 460 2HB PRO 460 -4.776 -8.987 -7.709 62 2HB PRO 460 1HB PRO 460 -4.261 -9.574 -9.294 63 1HG PRO 460 2HG PRO 460 -5.550 -11.071 -7.047 64 2HG PRO 460 1HG PRO 460 -5.878 -11.162 -8.787 65 1HD PRO 460 2HD PRO 460 -4.360 -12.992 -7.467 66 2HD PRO 460 1HD PRO 460 -4.106 -12.575 -9.173 67 H LEU 461 H LEU 461 -0.936 -10.236 -6.151 68 HA LEU 461 HA LEU 461 -0.442 -9.739 -3.988 69 1HB LEU 461 2HB LEU 461 -2.582 -7.638 -4.073 70 2HB LEU 461 1HB LEU 461 -1.059 -7.615 -3.205 71 HG LEU 461 HG LEU 461 -1.333 -7.429 -6.206 72 1HD1 LEU 461 1HD1 LEU 461 -1.701 -5.259 -5.963 73 2HD1 LEU 461 2HD1 LEU 461 -0.224 -5.102 -5.011 74 3HD1 LEU 461 3HD1 LEU 461 -1.754 -5.465 -4.212 75 1HD2 LEU 461 1HD2 LEU 461 1.136 -6.537 -4.937 76 2HD2 LEU 461 2HD2 LEU 461 0.893 -7.558 -6.354 77 3HD2 LEU 461 3HD2 LEU 461 0.829 -8.261 -4.737 78 HA PRO 462 HA PRO 462 -3.274 -11.652 -1.211 79 1HB PRO 462 2HB PRO 462 -2.693 -9.800 0.969 80 2HB PRO 462 1HB PRO 462 -2.224 -11.488 0.791 81 1HG PRO 462 2HG PRO 462 -0.439 -9.459 0.653 82 2HG PRO 462 1HG PRO 462 -0.247 -10.971 -0.254 83 1HD PRO 462 2HD PRO 462 -1.246 -8.307 -1.197 84 2HD PRO 462 1HD PRO 462 -0.153 -9.452 -2.006 85 HA PRO 463 HA PRO 463 -7.121 -9.546 -0.678 86 1HB PRO 463 2HB PRO 463 -7.963 -10.179 1.825 87 2HB PRO 463 1HB PRO 463 -7.942 -11.343 0.496 88 1HG PRO 463 2HG PRO 463 -5.955 -10.956 2.705 89 2HG PRO 463 1HG PRO 463 -6.623 -12.465 2.055 90 1HD PRO 463 2HD PRO 463 -4.181 -11.555 1.355 91 2HD PRO 463 1HD PRO 463 -5.215 -12.447 0.224 92 H GLY 464 H GLY 464 -7.667 -7.472 -0.338 93 1HA GLY 464 2HA GLY 464 -7.954 -5.480 0.846 94 2HA GLY 464 1HA GLY 464 -6.985 -6.146 2.151 95 H TRP 465 H TRP 465 -5.062 -6.817 -0.291 96 HA TRP 465 HA TRP 465 -3.517 -4.369 0.043 97 1HB TRP 465 2HB TRP 465 -2.897 -7.136 -0.957 98 2HB TRP 465 1HB TRP 465 -1.786 -5.802 -1.237 99 HD1 TRP 465 HD TRP 465 -3.134 -8.022 1.551 100 HE1 TRP 465 1HE TRP 465 -1.645 -7.706 3.627 101 HE3 TRP 465 3HE TRP 465 -0.310 -4.094 -0.081 102 HZ2 TRP 465 2HZ TRP 465 0.447 -6.007 4.452 103 HZ3 TRP 465 3HZ TRP 465 1.412 -3.176 1.417 104 HH2 TRP 465 HH TRP 465 1.781 -4.115 3.642 105 H GLU 466 H GLU 466 -2.354 -3.501 -1.859 106 HA GLU 466 HA GLU 466 -3.620 -3.896 -4.441 107 1HB GLU 466 2HB GLU 466 -4.312 -1.707 -2.687 108 2HB GLU 466 1HB GLU 466 -3.582 -1.102 -4.167 109 1HG GLU 466 2HG GLU 466 -5.430 -3.103 -4.906 110 2HG GLU 466 1HG GLU 466 -6.225 -2.058 -3.731 111 H GLU 467 H GLU 467 -2.346 -3.262 -6.160 112 HA GLU 467 HA GLU 467 0.419 -2.614 -5.478 113 1HB GLU 467 2HB GLU 467 0.964 -3.309 -7.738 114 2HB GLU 467 1HB GLU 467 -0.028 -4.536 -6.964 115 1HG GLU 467 2HG GLU 467 -1.972 -3.179 -8.143 116 2HG GLU 467 1HG GLU 467 -0.657 -2.734 -9.230 117 H ARG 468 H ARG 468 0.675 -0.462 -5.227 118 HA ARG 468 HA ARG 468 -0.465 1.322 -7.272 119 1HB ARG 468 2HB ARG 468 0.132 1.624 -4.382 120 2HB ARG 468 1HB ARG 468 0.400 3.037 -5.392 121 1HG ARG 468 2HG ARG 468 -2.185 1.550 -5.543 122 2HG ARG 468 1HG ARG 468 -1.886 2.697 -4.235 123 1HD ARG 468 2HD ARG 468 -2.866 4.070 -5.789 124 2HD ARG 468 1HD ARG 468 -1.164 4.271 -6.204 125 HE ARG 468 HE ARG 468 -1.598 3.304 -8.225 126 1HH1 ARG 468 1HH1 ARG 468 -4.158 2.475 -6.016 127 2HH1 ARG 468 2HH1 ARG 468 -5.124 1.693 -7.223 128 1HH2 ARG 468 1HH2 ARG 468 -2.859 2.277 -9.824 129 2HH2 ARG 468 2HH2 ARG 468 -4.385 1.580 -9.389 130 H THR 469 H THR 469 0.828 2.787 -8.362 131 HA THR 469 HA THR 469 3.639 2.072 -8.497 132 HB THR 469 HB THR 469 3.668 3.720 -10.415 133 HG1 THR 469 1HG THR 469 1.696 4.814 -9.610 134 1HG2 THR 469 1HG2 THR 469 2.226 2.235 -11.890 135 2HG2 THR 469 2HG2 THR 469 1.826 1.339 -10.425 136 3HG2 THR 469 3HG2 THR 469 3.500 1.428 -10.974 137 H HIS 470 H HIS 470 5.247 3.188 -7.609 138 HA HIS 470 HA HIS 470 4.684 5.522 -6.032 139 1HB HIS 470 2HB HIS 470 6.356 3.631 -5.504 140 2HB HIS 470 1HB HIS 470 7.435 4.458 -6.623 141 HD2 HIS 470 2HD HIS 470 8.869 6.466 -5.550 142 HE1 HIS 470 1HE HIS 470 6.683 6.784 -1.939 143 HE2 HIS 470 2HE HIS 470 8.803 7.460 -3.154 144 H THR 471 H THR 471 6.003 7.503 -6.186 145 HA THR 471 HA THR 471 5.748 8.746 -8.669 146 HB THR 471 HB THR 471 7.815 9.770 -6.783 147 HG1 THR 471 1HG THR 471 6.115 10.508 -5.396 148 1HG2 THR 471 1HG2 THR 471 7.361 11.703 -7.804 149 2HG2 THR 471 2HG2 THR 471 5.633 11.526 -7.502 150 3HG2 THR 471 3HG2 THR 471 6.358 10.789 -8.930 151 H ASP 472 H ASP 472 8.273 6.747 -7.437 152 HA ASP 472 HA ASP 472 10.227 7.677 -9.375 153 1HB ASP 472 2HB ASP 472 10.283 5.613 -7.184 154 2HB ASP 472 1HB ASP 472 11.588 5.748 -8.358 155 H GLY 473 H GLY 473 7.694 5.421 -9.295 156 1HA GLY 473 2HA GLY 473 7.095 4.368 -11.396 157 2HA GLY 473 1HA GLY 473 8.807 4.098 -11.682 158 H ARG 474 H ARG 474 8.946 3.355 -8.688 159 HA ARG 474 HA ARG 474 8.605 0.533 -9.116 160 1HB ARG 474 2HB ARG 474 9.679 2.246 -6.913 161 2HB ARG 474 1HB ARG 474 9.258 0.575 -6.562 162 1HG ARG 474 2HG ARG 474 10.784 -0.190 -8.295 163 2HG ARG 474 1HG ARG 474 11.189 1.482 -8.687 164 1HD ARG 474 2HD ARG 474 12.241 1.818 -6.599 165 2HD ARG 474 1HD ARG 474 11.568 0.328 -5.937 166 HE ARG 474 HE ARG 474 13.252 -0.124 -8.208 167 1HH1 ARG 474 1HH1 ARG 474 13.222 0.414 -4.769 168 2HH1 ARG 474 2HH1 ARG 474 14.732 -0.392 -4.498 169 1HH2 ARG 474 1HH2 ARG 474 15.241 -1.189 -7.865 170 2HH2 ARG 474 2HH2 ARG 474 15.879 -1.303 -6.258 171 H VAL 475 H VAL 475 6.796 -0.570 -8.774 172 HA VAL 475 HA VAL 475 4.543 0.662 -7.478 173 HB VAL 475 HB VAL 475 4.274 -0.765 -9.468 174 1HG1 VAL 475 1HG1 VAL 475 6.088 -2.384 -8.675 175 2HG1 VAL 475 2HG1 VAL 475 4.691 -3.077 -9.491 176 3HG1 VAL 475 3HG1 VAL 475 4.825 -3.169 -7.732 177 1HG2 VAL 475 1HG2 VAL 475 2.354 -2.151 -8.513 178 2HG2 VAL 475 2HG2 VAL 475 2.329 -0.425 -8.171 179 3HG2 VAL 475 3HG2 VAL 475 2.850 -1.553 -6.925 180 H PHE 476 H PHE 476 4.410 0.733 -5.333 181 HA PHE 476 HA PHE 476 5.595 -1.383 -3.715 182 1HB PHE 476 2HB PHE 476 5.123 0.100 -1.806 183 2HB PHE 476 1HB PHE 476 6.047 0.925 -3.056 184 HD1 PHE 476 1HD PHE 476 5.115 2.753 -4.290 185 HD2 PHE 476 2HD PHE 476 2.785 0.650 -1.419 186 HE1 PHE 476 1HE PHE 476 3.430 4.545 -4.356 187 HE2 PHE 476 2HE PHE 476 1.093 2.437 -1.478 188 HZ PHE 476 HZ PHE 476 1.415 4.387 -2.948 189 H PHE 477 H PHE 477 4.166 -1.763 -1.587 190 HA PHE 477 HA PHE 477 1.556 -2.689 -2.578 191 1HB PHE 477 2HB PHE 477 3.210 -3.698 -0.256 192 2HB PHE 477 1HB PHE 477 1.643 -4.340 -0.740 193 HD1 PHE 477 1HD PHE 477 5.076 -3.735 -2.037 194 HD2 PHE 477 2HD PHE 477 1.534 -6.084 -2.257 195 HE1 PHE 477 1HE PHE 477 6.196 -5.273 -3.598 196 HE2 PHE 477 2HE PHE 477 2.649 -7.626 -3.816 197 HZ PHE 477 HZ PHE 477 4.983 -7.222 -4.488 198 H ILE 478 H ILE 478 -0.307 -2.483 -1.258 199 HA ILE 478 HA ILE 478 -0.124 -0.821 1.126 200 HB ILE 478 HB ILE 478 -0.358 0.780 -0.770 201 1HG1 ILE 478 2HG1 ILE 478 -2.622 0.544 1.209 202 2HG1 ILE 478 1HG1 ILE 478 -1.190 1.558 1.317 203 1HG2 ILE 478 1HG2 ILE 478 -1.764 -0.889 -2.108 204 2HG2 ILE 478 2HG2 ILE 478 -2.172 0.822 -2.217 205 3HG2 ILE 478 3HG2 ILE 478 -3.129 -0.248 -1.194 206 1HD1 ILE 478 1HD1 ILE 478 -3.766 2.163 0.216 207 2HD1 ILE 478 2HD1 ILE 478 -2.523 2.361 -1.021 208 3HD1 ILE 478 3HD1 ILE 478 -2.395 3.236 0.506 209 H ASN 479 H ASN 479 -1.473 -1.602 2.628 210 HA ASN 479 HA ASN 479 -3.574 -3.446 1.776 211 1HB ASN 479 2HB ASN 479 -3.570 -4.307 3.993 212 2HB ASN 479 1HB ASN 479 -1.882 -4.082 3.547 213 1HD2 ASN 479 1HD2 ASN 479 -2.538 -4.337 6.151 214 2HD2 ASN 479 2HD2 ASN 479 -2.351 -2.830 6.972 215 H HIS 480 H HIS 480 -5.718 -3.300 2.564 216 HA HIS 480 HA HIS 480 -6.528 -0.536 3.145 217 1HB HIS 480 2HB HIS 480 -7.919 -2.847 1.820 218 2HB HIS 480 1HB HIS 480 -8.838 -1.490 2.462 219 HD2 HIS 480 2HD HIS 480 -5.496 -1.204 0.399 220 HE1 HIS 480 1HE HIS 480 -8.647 0.738 -1.653 221 HE2 HIS 480 2HE HIS 480 -6.198 0.086 -1.739 222 H ASN 481 H ASN 481 -6.107 -3.464 4.729 223 HA ASN 481 HA ASN 481 -8.365 -3.645 6.370 224 1HB ASN 481 2HB ASN 481 -5.627 -4.303 7.413 225 2HB ASN 481 1HB ASN 481 -7.152 -5.134 7.699 226 1HD2 ASN 481 1HD2 ASN 481 -4.414 -4.810 5.665 227 2HD2 ASN 481 2HD2 ASN 481 -4.774 -6.114 4.592 228 H ILE 482 H ILE 482 -5.308 -1.913 6.869 229 HA ILE 482 HA ILE 482 -6.683 -0.247 8.867 230 HB ILE 482 HB ILE 482 -4.352 -0.069 9.968 231 1HG1 ILE 482 2HG1 ILE 482 -4.062 -2.753 8.600 232 2HG1 ILE 482 1HG1 ILE 482 -3.184 -1.297 8.138 233 1HG2 ILE 482 1HG2 ILE 482 -5.779 -1.027 11.419 234 2HG2 ILE 482 2HG2 ILE 482 -4.895 -2.497 11.015 235 3HG2 ILE 482 3HG2 ILE 482 -6.424 -2.141 10.213 236 1HD1 ILE 482 1HD1 ILE 482 -2.627 -1.461 10.797 237 2HD1 ILE 482 2HD1 ILE 482 -1.602 -2.076 9.501 238 3HD1 ILE 482 3HD1 ILE 482 -2.716 -3.160 10.334 239 H LYS 483 H LYS 483 -6.118 0.140 6.001 240 HA LYS 483 HA LYS 483 -5.176 1.638 4.541 241 1HB LYS 483 2HB LYS 483 -5.574 3.525 6.867 242 2HB LYS 483 1HB LYS 483 -5.560 3.936 5.157 243 1HG LYS 483 2HG LYS 483 -7.819 3.941 5.814 244 2HG LYS 483 1HG LYS 483 -7.581 2.448 4.905 245 1HD LYS 483 2HD LYS 483 -7.849 1.124 6.742 246 2HD LYS 483 1HD LYS 483 -7.182 2.332 7.843 247 1HE LYS 483 2HE LYS 483 -9.869 2.605 6.511 248 2HE LYS 483 1HE LYS 483 -9.645 1.866 8.098 249 1HZ LYS 483 1HZ LYS 483 -9.931 4.561 7.512 250 2HZ LYS 483 2HZ LYS 483 -8.326 4.360 8.007 251 3HZ LYS 483 3HZ LYS 483 -9.589 3.865 9.017 252 H LYS 484 H LYS 484 -3.064 0.638 4.605 253 HA LYS 484 HA LYS 484 -1.034 2.516 5.504 254 1HB LYS 484 2HB LYS 484 -1.629 0.332 7.093 255 2HB LYS 484 1HB LYS 484 -0.253 -0.223 6.150 256 1HG LYS 484 2HG LYS 484 1.186 1.157 7.189 257 2HG LYS 484 1HG LYS 484 0.011 2.468 7.307 258 1HD LYS 484 2HD LYS 484 -0.902 0.356 8.956 259 2HD LYS 484 1HD LYS 484 0.810 0.596 9.305 260 1HE LYS 484 2HE LYS 484 -1.372 2.674 9.387 261 2HE LYS 484 1HE LYS 484 -0.500 1.997 10.761 262 1HZ LYS 484 1HZ LYS 484 0.887 3.698 10.530 263 2HZ LYS 484 2HZ LYS 484 0.238 4.140 9.031 264 3HZ LYS 484 3HZ LYS 484 1.454 2.968 9.112 265 H THR 485 H THR 485 1.165 1.837 4.719 266 HA THR 485 HA THR 485 1.112 0.122 2.356 267 HB THR 485 HB THR 485 0.751 2.076 1.164 268 HG1 THR 485 1HG THR 485 2.708 1.206 0.425 269 1HG2 THR 485 1HG2 THR 485 0.717 3.993 2.309 270 2HG2 THR 485 2HG2 THR 485 2.464 4.077 2.081 271 3HG2 THR 485 3HG2 THR 485 1.800 3.349 3.543 272 H GLN 486 H GLN 486 3.342 -0.272 1.506 273 HA GLN 486 HA GLN 486 5.558 0.344 3.245 274 1HB GLN 486 2HB GLN 486 6.063 -2.144 3.549 275 2HB GLN 486 1HB GLN 486 4.780 -1.463 4.541 276 1HG GLN 486 2HG GLN 486 3.117 -2.548 3.376 277 2HG GLN 486 1HG GLN 486 4.108 -2.732 1.932 278 1HE2 GLN 486 1HE2 GLN 486 5.589 -4.400 1.815 279 2HE2 GLN 486 2HE2 GLN 486 5.532 -5.753 2.884 280 H TRP 487 H TRP 487 7.537 0.021 2.273 281 HA TRP 487 HA TRP 487 7.545 -0.137 -0.570 282 1HB TRP 487 2HB TRP 487 9.487 0.407 1.566 283 2HB TRP 487 1HB TRP 487 10.177 -0.392 0.157 284 HD1 TRP 487 HD TRP 487 10.072 2.884 1.355 285 HE1 TRP 487 1HE TRP 487 9.926 4.663 -0.499 286 HE3 TRP 487 3HE TRP 487 8.519 -0.090 -2.503 287 HZ2 TRP 487 2HZ TRP 487 9.242 4.789 -3.235 288 HZ3 TRP 487 3HZ TRP 487 8.141 0.938 -4.707 289 HH2 TRP 487 HH TRP 487 8.496 3.328 -5.063 290 H GLU 488 H GLU 488 8.492 -2.329 2.032 291 HA GLU 488 HA GLU 488 9.705 -4.307 0.456 292 1HB GLU 488 2HB GLU 488 9.309 -3.935 3.134 293 2HB GLU 488 1HB GLU 488 8.220 -5.275 2.804 294 1HG GLU 488 2HG GLU 488 9.904 -6.705 2.728 295 2HG GLU 488 1HG GLU 488 10.749 -5.727 1.529 296 H ASP 489 H ASP 489 8.556 -6.686 0.805 297 HA ASP 489 HA ASP 489 5.999 -6.449 -0.632 298 1HB ASP 489 2HB ASP 489 8.023 -8.686 -0.828 299 2HB ASP 489 1HB ASP 489 6.541 -8.532 -1.768 300 HA PRO 490 HA PRO 490 4.559 -8.550 3.094 301 1HB PRO 490 2HB PRO 490 1.915 -8.399 2.533 302 2HB PRO 490 1HB PRO 490 2.838 -7.025 3.150 303 1HG PRO 490 2HG PRO 490 2.013 -7.645 0.343 304 2HG PRO 490 1HG PRO 490 1.993 -6.093 1.196 305 1HD PRO 490 2HD PRO 490 3.947 -6.797 -0.558 306 2HD PRO 490 1HD PRO 490 4.227 -5.717 0.820 307 H ARG 491 H ARG 491 3.380 -9.286 -0.174 308 HA ARG 491 HA ARG 491 2.426 -11.888 0.523 309 1HB ARG 491 2HB ARG 491 2.370 -12.181 -2.010 310 2HB ARG 491 1HB ARG 491 1.370 -10.902 -1.335 311 1HG ARG 491 2HG ARG 491 2.842 -9.220 -2.072 312 2HG ARG 491 1HG ARG 491 4.121 -10.385 -2.418 313 1HD ARG 491 2HD ARG 491 1.470 -10.318 -3.848 314 2HD ARG 491 1HD ARG 491 2.924 -9.513 -4.435 315 HE ARG 491 HE ARG 491 3.512 -12.211 -3.937 316 1HH1 ARG 491 1HH1 ARG 491 1.662 -10.236 -6.128 317 2HH1 ARG 491 2HH1 ARG 491 1.792 -11.351 -7.448 318 1HH2 ARG 491 1HH2 ARG 491 3.692 -13.686 -5.669 319 2HH2 ARG 491 2HH2 ARG 491 2.946 -13.311 -7.187 320 H MET 492 H MET 492 5.493 -10.588 -0.385 321 HA MET 492 HA MET 492 6.583 -13.147 -1.192 322 1HB MET 492 2HB MET 492 7.226 -10.587 -1.845 323 2HB MET 492 1HB MET 492 8.438 -10.928 -0.618 324 1HG MET 492 2HG MET 492 7.938 -12.593 -3.074 325 2HG MET 492 1HG MET 492 9.226 -11.405 -2.889 326 1HE MET 492 1HE MET 492 12.018 -13.368 -1.926 327 2HE MET 492 2HE MET 492 11.484 -12.047 -0.887 328 3HE MET 492 3HE MET 492 11.264 -11.939 -2.633 329 H GLN 493 H GLN 493 6.316 -11.262 1.688 330 HA GLN 493 HA GLN 493 8.519 -12.259 3.124 331 1HB GLN 493 2HB GLN 493 7.319 -10.305 3.893 332 2HB GLN 493 1HB GLN 493 5.844 -11.241 4.090 333 1HG GLN 493 2HG GLN 493 6.414 -11.824 6.144 334 2HG GLN 493 1HG GLN 493 7.976 -12.429 5.596 335 1HE2 GLN 493 1HE2 GLN 493 9.445 -10.445 4.906 336 2HE2 GLN 493 2HE2 GLN 493 9.592 -9.235 6.131 337 H ASN 494 H ASN 494 8.547 -14.512 2.567 338 HA ASN 494 HA ASN 494 7.279 -16.137 4.543 339 1HB ASN 494 2HB ASN 494 6.215 -17.665 2.766 340 2HB ASN 494 1HB ASN 494 5.364 -16.181 3.185 341 1HD2 ASN 494 1HD2 ASN 494 4.526 -15.236 1.490 342 2HD2 ASN 494 2HD2 ASN 494 5.217 -15.164 -0.091 343 H VAL 495 H VAL 495 8.899 -16.133 1.387 344 HA VAL 495 HA VAL 495 10.503 -17.495 0.493 345 HB VAL 495 HB VAL 495 11.810 -16.067 2.031 346 1HG1 VAL 495 1HG1 VAL 495 11.070 -16.553 4.181 347 2HG1 VAL 495 2HG1 VAL 495 12.666 -17.299 4.126 348 3HG1 VAL 495 3HG1 VAL 495 11.222 -18.294 3.945 349 1HG2 VAL 495 1HG2 VAL 495 13.439 -17.155 0.965 350 2HG2 VAL 495 2HG2 VAL 495 12.571 -18.689 1.044 351 3HG2 VAL 495 3HG2 VAL 495 13.568 -18.169 2.403 352 H ALA 496 H ALA 496 8.305 -18.998 1.264 353 HA ALA 496 HA ALA 496 9.448 -21.594 1.427 354 1HB ALA 496 1HB ALA 496 8.271 -20.411 3.898 355 2HB ALA 496 2HB ALA 496 9.677 -21.457 3.710 356 3HB ALA 496 3HB ALA 496 8.053 -22.131 3.577 357 H ILE 497 H ILE 497 7.511 -23.233 1.938 358 HA ILE 497 HA ILE 497 5.465 -22.554 -0.016 359 HB ILE 497 HB ILE 497 6.415 -24.763 -0.232 360 1HG1 ILE 497 2HG1 ILE 497 4.005 -25.914 0.713 361 2HG1 ILE 497 1HG1 ILE 497 3.615 -24.283 0.175 362 1HG2 ILE 497 1HG2 ILE 497 7.178 -25.149 2.013 363 2HG2 ILE 497 2HG2 ILE 497 6.099 -26.465 1.549 364 3HG2 ILE 497 3HG2 ILE 497 5.521 -25.185 2.617 365 1HD1 ILE 497 1HD1 ILE 497 3.493 -26.246 -1.509 366 2HD1 ILE 497 2HD1 ILE 497 5.248 -26.072 -1.571 367 3HD1 ILE 497 3HD1 ILE 497 4.210 -24.714 -2.009 368 H THR 498 H THR 498 4.965 -20.861 1.874 369 HA THR 498 HA THR 498 3.060 -22.006 3.777 370 HB THR 498 HB THR 498 3.210 -20.051 5.027 371 HG1 THR 498 1HG THR 498 3.698 -18.067 4.174 372 1HG2 THR 498 1HG2 THR 498 5.909 -19.594 3.985 373 2HG2 THR 498 2HG2 THR 498 5.546 -21.289 4.314 374 3HG2 THR 498 3HG2 THR 498 5.384 -20.086 5.595 375 H GLY 499 H GLY 499 0.907 -21.768 3.614 376 1HA GLY 499 2HA GLY 499 -0.773 -19.945 2.832 377 2HA GLY 499 1HA GLY 499 -0.102 -20.336 1.256 378 1H GLY 605 1HT GLY 605 18.710 14.662 -5.530 379 2H GLY 605 2HT GLY 605 19.037 15.043 -3.915 380 3H GLY 605 3HT GLY 605 17.564 14.323 -4.332 381 1HA GLY 605 1HA GLY 605 20.086 13.108 -3.763 382 2HA GLY 605 2HA GLY 605 18.486 12.384 -3.811 383 H SER 606 H SER 606 20.643 10.967 -4.710 384 HA SER 606 HA SER 606 20.498 11.139 -7.639 385 1HB SER 606 2HB SER 606 22.411 9.203 -6.901 386 2HB SER 606 1HB SER 606 22.713 10.819 -7.541 387 HG SER 606 HG SER 606 22.589 11.564 -5.334 388 H THR 607 H THR 607 20.375 8.772 -4.987 389 HA THR 607 HA THR 607 18.807 7.012 -6.761 390 HB THR 607 HB THR 607 20.268 5.897 -4.403 391 HG1 THR 607 1HG THR 607 22.109 5.605 -5.765 392 1HG2 THR 607 1HG2 THR 607 20.483 4.259 -6.659 393 2HG2 THR 607 2HG2 THR 607 18.849 4.921 -6.719 394 3HG2 THR 607 3HG2 THR 607 19.394 4.045 -5.288 395 H LEU 608 H LEU 608 19.422 7.519 -3.278 396 HA LEU 608 HA LEU 608 18.041 7.418 -1.469 397 1HB LEU 608 2HB LEU 608 17.264 9.510 -2.488 398 2HB LEU 608 1HB LEU 608 16.098 8.615 -3.445 399 HG LEU 608 HG LEU 608 15.618 7.922 -0.749 400 1HD1 LEU 608 1HD1 LEU 608 16.927 9.950 -0.182 401 2HD1 LEU 608 2HD1 LEU 608 15.240 10.034 0.326 402 3HD1 LEU 608 3HD1 LEU 608 15.773 10.909 -1.110 403 1HD2 LEU 608 1HD2 LEU 608 13.885 7.947 -2.364 404 2HD2 LEU 608 2HD2 LEU 608 14.181 9.641 -2.758 405 3HD2 LEU 608 3HD2 LEU 608 13.495 9.206 -1.192 406 HA PRO 609 HA PRO 609 15.936 3.564 -3.191 407 1HB PRO 609 2HB PRO 609 17.325 1.783 -1.671 408 2HB PRO 609 1HB PRO 609 17.858 2.311 -3.272 409 1HG PRO 609 2HG PRO 609 18.743 3.258 -0.572 410 2HG PRO 609 1HG PRO 609 19.722 2.896 -2.007 411 1HD PRO 609 2HD PRO 609 19.068 5.421 -1.310 412 2HD PRO 609 1HD PRO 609 19.232 4.920 -3.006 413 H ILE 610 H ILE 610 16.862 4.596 0.047 414 HA ILE 610 HA ILE 610 14.251 3.663 1.019 415 HB ILE 610 HB ILE 610 16.847 3.376 2.537 416 1HG1 ILE 610 2HG1 ILE 610 15.068 1.103 1.725 417 2HG1 ILE 610 1HG1 ILE 610 16.220 1.762 0.568 418 1HG2 ILE 610 1HG2 ILE 610 15.671 3.026 4.399 419 2HG2 ILE 610 2HG2 ILE 610 14.523 1.975 3.570 420 3HG2 ILE 610 3HG2 ILE 610 14.298 3.724 3.542 421 1HD1 ILE 610 1HD1 ILE 610 17.112 0.934 3.295 422 2HD1 ILE 610 2HD1 ILE 610 18.046 1.071 1.805 423 3HD1 ILE 610 3HD1 ILE 610 16.901 -0.254 2.010 424 HA PRO 611 HA PRO 611 14.588 8.088 2.098 425 1HB PRO 611 2HB PRO 611 11.908 8.483 2.297 426 2HB PRO 611 1HB PRO 611 12.772 8.506 0.755 427 1HG PRO 611 2HG PRO 611 11.179 6.298 2.003 428 2HG PRO 611 1HG PRO 611 11.196 6.851 0.318 429 1HD PRO 611 2HD PRO 611 12.554 4.660 1.141 430 2HD PRO 611 1HD PRO 611 13.137 5.706 -0.170 431 H GLY 612 H GLY 612 12.297 5.804 3.600 432 1HA GLY 612 2HA GLY 612 13.009 5.414 6.045 433 2HA GLY 612 1HA GLY 612 12.751 7.146 6.180 434 H THR 613 H THR 613 10.478 7.658 4.921 435 HA THR 613 HA THR 613 8.517 6.257 6.555 436 HB THR 613 HB THR 613 6.960 8.058 5.545 437 HG1 THR 613 1HG THR 613 8.262 9.949 4.915 438 1HG2 THR 613 1HG2 THR 613 7.241 8.921 7.577 439 2HG2 THR 613 2HG2 THR 613 8.730 9.702 7.044 440 3HG2 THR 613 3HG2 THR 613 8.783 8.077 7.727 441 HA PRO 614 HA PRO 614 7.098 3.500 3.378 442 1HB PRO 614 2HB PRO 614 4.428 4.230 4.508 443 2HB PRO 614 1HB PRO 614 5.099 2.633 4.155 444 1HG PRO 614 2HG PRO 614 4.993 3.532 6.657 445 2HG PRO 614 1HG PRO 614 6.390 2.603 6.082 446 1HD PRO 614 2HD PRO 614 6.144 5.521 6.614 447 2HD PRO 614 1HD PRO 614 7.553 4.454 6.783 448 HA PRO 615 HA PRO 615 5.838 5.845 -0.136 449 1HB PRO 615 2HB PRO 615 3.655 3.841 -0.498 450 2HB PRO 615 1HB PRO 615 4.863 4.412 -1.656 451 1HG PRO 615 2HG PRO 615 5.108 2.022 -0.513 452 2HG PRO 615 1HG PRO 615 6.529 3.047 -0.792 453 1HD PRO 615 2HD PRO 615 5.069 2.476 1.745 454 2HD PRO 615 1HD PRO 615 6.802 2.748 1.476 455 HA PRO 616 HA PRO 616 2.343 8.499 0.369 456 1HB PRO 616 2HB PRO 616 0.848 7.120 -1.816 457 2HB PRO 616 1HB PRO 616 1.162 8.844 -1.582 458 1HG PRO 616 2HG PRO 616 2.534 7.447 -3.386 459 2HG PRO 616 1HG PRO 616 3.324 8.698 -2.408 460 1HD PRO 616 2HD PRO 616 3.486 5.732 -2.184 461 2HD PRO 616 1HD PRO 616 4.720 6.961 -1.844 462 H ASN 617 H ASN 617 1.213 8.175 2.181 463 HA ASN 617 HA ASN 617 -0.002 5.786 2.969 464 1HB ASN 617 2HB ASN 617 0.319 8.402 4.036 465 2HB ASN 617 1HB ASN 617 -1.388 7.987 4.160 466 1HD2 ASN 617 1HD2 ASN 617 -1.757 5.685 4.973 467 2HD2 ASN 617 2HD2 ASN 617 -0.805 5.205 6.332 468 H TYR 618 H TYR 618 -2.224 5.204 3.135 469 HA TYR 618 HA TYR 618 -3.697 5.544 0.785 470 1HB TYR 618 2HB TYR 618 -3.932 3.651 2.418 471 2HB TYR 618 1HB TYR 618 -4.807 4.745 3.482 472 HD1 TYR 618 1HD TYR 618 -7.091 4.491 3.453 473 HD2 TYR 618 2HD TYR 618 -4.919 3.799 -0.138 474 HE1 TYR 618 1HE TYR 618 -9.191 3.941 2.297 475 HE2 TYR 618 2HE TYR 618 -7.012 3.248 -1.305 476 HH TYR 618 HH TYR 618 -10.055 3.935 -0.050 477 H ASP 619 H ASP 619 -3.758 7.282 3.827 478 HA ASP 619 HA ASP 619 -6.166 8.693 3.422 479 1HB ASP 619 2HB ASP 619 -4.346 8.499 5.465 480 2HB ASP 619 1HB ASP 619 -4.066 10.138 4.886 481 H SER 620 H SER 620 -2.974 9.079 2.143 482 HA SER 620 HA SER 620 -3.546 11.766 1.156 483 1HB SER 620 2HB SER 620 -1.246 10.761 2.107 484 2HB SER 620 1HB SER 620 -1.032 10.368 0.401 485 HG SER 620 HG SER 620 -0.350 12.556 1.302 486 H LEU 621 H LEU 621 -3.476 8.479 0.094 487 HA LEU 621 HA LEU 621 -3.225 9.010 -2.699 488 1HB LEU 621 2HB LEU 621 -3.865 6.652 -1.010 489 2HB LEU 621 1HB LEU 621 -4.371 6.597 -2.687 490 HG LEU 621 HG LEU 621 -1.543 6.988 -1.708 491 1HD1 LEU 621 1HD1 LEU 621 -1.144 4.783 -2.649 492 2HD1 LEU 621 2HD1 LEU 621 -2.842 4.655 -3.105 493 3HD1 LEU 621 3HD1 LEU 621 -2.389 4.712 -1.403 494 1HD2 LEU 621 1HD2 LEU 621 -1.685 8.187 -3.717 495 2HD2 LEU 621 2HD2 LEU 621 -2.755 6.994 -4.454 496 3HD2 LEU 621 3HD2 LEU 621 -1.056 6.605 -4.181 Start of MODEL 6 1 1H GLY 450 1HT GLY 450 11.183 -29.305 -6.451 2 2H GLY 450 2HT GLY 450 9.738 -29.172 -5.582 3 3H GLY 450 3HT GLY 450 11.220 -29.147 -4.766 4 1HA GLY 450 1HA GLY 450 10.911 -27.123 -6.817 5 2HA GLY 450 2HA GLY 450 9.841 -26.955 -5.434 6 H SER 451 H SER 451 12.538 -25.741 -6.582 7 HA SER 451 HA SER 451 14.281 -25.968 -4.302 8 1HB SER 451 2HB SER 451 14.613 -25.242 -6.974 9 2HB SER 451 1HB SER 451 14.882 -23.747 -6.078 10 HG SER 451 HG SER 451 16.749 -24.521 -5.546 11 HA PRO 452 HA PRO 452 12.913 -21.237 -3.904 12 1HB PRO 452 2HB PRO 452 10.184 -21.594 -5.042 13 2HB PRO 452 1HB PRO 452 11.278 -20.210 -5.152 14 1HG PRO 452 2HG PRO 452 10.921 -21.827 -7.236 15 2HG PRO 452 1HG PRO 452 12.522 -21.159 -6.864 16 1HD PRO 452 2HD PRO 452 11.459 -23.910 -6.399 17 2HD PRO 452 1HD PRO 452 13.092 -23.394 -6.863 18 H VAL 453 H VAL 453 12.831 -21.636 -1.742 19 HA VAL 453 HA VAL 453 10.738 -23.213 -0.554 20 HB VAL 453 HB VAL 453 13.015 -23.167 0.398 21 1HG1 VAL 453 1HG1 VAL 453 12.987 -20.509 -0.017 22 2HG1 VAL 453 2HG1 VAL 453 14.073 -21.307 1.120 23 3HG1 VAL 453 3HG1 VAL 453 12.587 -20.556 1.700 24 1HG2 VAL 453 1HG2 VAL 453 11.272 -23.874 1.856 25 2HG2 VAL 453 2HG2 VAL 453 10.766 -22.212 2.159 26 3HG2 VAL 453 3HG2 VAL 453 12.311 -22.791 2.781 27 H ASP 454 H ASP 454 11.243 -19.876 -1.279 28 HA ASP 454 HA ASP 454 8.798 -19.200 0.218 29 1HB ASP 454 2HB ASP 454 11.001 -17.236 -0.401 30 2HB ASP 454 1HB ASP 454 9.659 -17.044 0.722 31 H SER 455 H SER 455 8.522 -16.604 -0.814 32 HA SER 455 HA SER 455 7.863 -15.386 -2.662 33 1HB SER 455 2HB SER 455 9.734 -16.989 -3.810 34 2HB SER 455 1HB SER 455 8.286 -17.525 -4.662 35 HG SER 455 HG SER 455 8.256 -15.705 -5.708 36 H ASN 456 H ASN 456 7.142 -18.734 -3.646 37 HA ASN 456 HA ASN 456 5.183 -19.756 -4.190 38 1HB ASN 456 2HB ASN 456 4.216 -18.029 -1.904 39 2HB ASN 456 1HB ASN 456 3.272 -19.326 -2.630 40 1HD2 ASN 456 1HD2 ASN 456 5.364 -18.541 -0.193 41 2HD2 ASN 456 2HD2 ASN 456 5.893 -20.127 0.240 42 H ASP 457 H ASP 457 2.737 -19.275 -4.704 43 HA ASP 457 HA ASP 457 2.650 -16.757 -6.235 44 1HB ASP 457 2HB ASP 457 2.770 -19.064 -7.464 45 2HB ASP 457 1HB ASP 457 1.067 -19.176 -7.033 46 H LEU 458 H LEU 458 1.475 -15.474 -4.901 47 HA LEU 458 HA LEU 458 -0.987 -16.500 -3.716 48 1HB LEU 458 2HB LEU 458 0.631 -14.000 -3.347 49 2HB LEU 458 1HB LEU 458 -1.016 -14.095 -2.752 50 HG LEU 458 HG LEU 458 1.224 -15.951 -1.943 51 1HD1 LEU 458 1HD1 LEU 458 0.237 -13.382 -0.867 52 2HD1 LEU 458 2HD1 LEU 458 1.846 -14.101 -0.799 53 3HD1 LEU 458 3HD1 LEU 458 0.585 -14.656 0.302 54 1HD2 LEU 458 1HD2 LEU 458 -0.375 -16.646 -0.186 55 2HD2 LEU 458 2HD2 LEU 458 -0.912 -17.055 -1.815 56 3HD2 LEU 458 3HD2 LEU 458 -1.618 -15.675 -0.974 57 H GLY 459 H GLY 459 0.104 -14.494 -6.315 58 1HA GLY 459 2HA GLY 459 -1.315 -14.024 -8.178 59 2HA GLY 459 1HA GLY 459 -2.696 -14.055 -7.091 60 HA PRO 460 HA PRO 460 -1.915 -9.601 -7.892 61 1HB PRO 460 2HB PRO 460 -4.759 -9.399 -7.168 62 2HB PRO 460 1HB PRO 460 -3.934 -8.854 -8.629 63 1HG PRO 460 2HG PRO 460 -5.610 -10.960 -8.640 64 2HG PRO 460 1HG PRO 460 -4.181 -10.887 -9.687 65 1HD PRO 460 2HD PRO 460 -4.581 -12.379 -7.123 66 2HD PRO 460 1HD PRO 460 -3.749 -12.891 -8.607 67 H LEU 461 H LEU 461 -0.738 -10.167 -5.755 68 HA LEU 461 HA LEU 461 -0.290 -9.648 -3.585 69 1HB LEU 461 2HB LEU 461 -2.371 -7.494 -3.918 70 2HB LEU 461 1HB LEU 461 -1.012 -7.505 -2.809 71 HG LEU 461 HG LEU 461 0.472 -7.530 -4.904 72 1HD1 LEU 461 1HD1 LEU 461 -0.927 -8.031 -6.672 73 2HD1 LEU 461 2HD1 LEU 461 -0.749 -6.283 -6.805 74 3HD1 LEU 461 3HD1 LEU 461 -2.210 -6.968 -6.095 75 1HD2 LEU 461 1HD2 LEU 461 -0.678 -5.469 -3.392 76 2HD2 LEU 461 2HD2 LEU 461 -0.748 -4.939 -5.072 77 3HD2 LEU 461 3HD2 LEU 461 0.797 -5.402 -4.359 78 HA PRO 462 HA PRO 462 -3.207 -11.486 -0.858 79 1HB PRO 462 2HB PRO 462 -2.685 -9.561 1.283 80 2HB PRO 462 1HB PRO 462 -2.264 -11.268 1.193 81 1HG PRO 462 2HG PRO 462 -0.405 -9.319 1.052 82 2HG PRO 462 1HG PRO 462 -0.238 -10.857 0.186 83 1HD PRO 462 2HD PRO 462 -1.108 -8.183 -0.849 84 2HD PRO 462 1HD PRO 462 -0.035 -9.384 -1.597 85 HA PRO 463 HA PRO 463 -7.104 -9.444 -0.586 86 1HB PRO 463 2HB PRO 463 -7.978 -9.969 1.957 87 2HB PRO 463 1HB PRO 463 -8.007 -11.149 0.644 88 1HG PRO 463 2HG PRO 463 -6.012 -10.818 2.849 89 2HG PRO 463 1HG PRO 463 -6.715 -12.306 2.190 90 1HD PRO 463 2HD PRO 463 -4.245 -11.487 1.512 91 2HD PRO 463 1HD PRO 463 -5.311 -12.303 0.349 92 H GLY 464 H GLY 464 -7.721 -7.379 -0.325 93 1HA GLY 464 2HA GLY 464 -8.029 -5.324 0.721 94 2HA GLY 464 1HA GLY 464 -7.135 -5.927 2.107 95 H TRP 465 H TRP 465 -5.142 -6.675 -0.320 96 HA TRP 465 HA TRP 465 -3.566 -4.257 0.070 97 1HB TRP 465 2HB TRP 465 -2.964 -7.039 -0.886 98 2HB TRP 465 1HB TRP 465 -1.832 -5.728 -1.193 99 HD1 TRP 465 HD TRP 465 -3.295 -7.784 1.684 100 HE1 TRP 465 1HE TRP 465 -1.793 -7.455 3.749 101 HE3 TRP 465 3HE TRP 465 -0.255 -4.107 -0.118 102 HZ2 TRP 465 2HZ TRP 465 0.389 -5.837 4.501 103 HZ3 TRP 465 3HZ TRP 465 1.510 -3.213 1.336 104 HH2 TRP 465 HH TRP 465 1.828 -4.062 3.605 105 H GLU 466 H GLU 466 -2.357 -3.366 -1.801 106 HA GLU 466 HA GLU 466 -3.606 -3.726 -4.405 107 1HB GLU 466 2HB GLU 466 -4.474 -1.696 -2.684 108 2HB GLU 466 1HB GLU 466 -3.411 -0.892 -3.827 109 1HG GLU 466 2HG GLU 466 -4.841 -2.333 -5.551 110 2HG GLU 466 1HG GLU 466 -6.031 -2.187 -4.259 111 H GLU 467 H GLU 467 -2.311 -3.133 -6.116 112 HA GLU 467 HA GLU 467 0.458 -2.466 -5.423 113 1HB GLU 467 2HB GLU 467 1.069 -3.338 -7.575 114 2HB GLU 467 1HB GLU 467 -0.024 -4.486 -6.820 115 1HG GLU 467 2HG GLU 467 -1.746 -2.908 -8.228 116 2HG GLU 467 1HG GLU 467 -0.326 -2.935 -9.272 117 H ARG 468 H ARG 468 0.856 -0.329 -5.421 118 HA ARG 468 HA ARG 468 -0.273 1.275 -7.621 119 1HB ARG 468 2HB ARG 468 0.396 2.205 -4.824 120 2HB ARG 468 1HB ARG 468 -0.225 3.217 -6.119 121 1HG ARG 468 2HG ARG 468 -1.954 0.972 -5.768 122 2HG ARG 468 1HG ARG 468 -1.678 1.754 -4.211 123 1HD ARG 468 2HD ARG 468 -3.630 2.630 -5.543 124 2HD ARG 468 1HD ARG 468 -2.460 3.839 -5.015 125 HE ARG 468 HE ARG 468 -1.626 3.135 -7.515 126 1HH1 ARG 468 1HH1 ARG 468 -4.609 4.316 -6.161 127 2HH1 ARG 468 2HH1 ARG 468 -5.088 5.145 -7.604 128 1HH2 ARG 468 1HH2 ARG 468 -2.245 4.224 -9.422 129 2HH2 ARG 468 2HH2 ARG 468 -3.743 5.093 -9.459 130 H THR 469 H THR 469 1.071 2.573 -8.774 131 HA THR 469 HA THR 469 3.882 2.036 -8.602 132 HB THR 469 HB THR 469 2.730 2.329 -10.776 133 HG1 THR 469 1HG THR 469 4.903 4.008 -10.068 134 1HG2 THR 469 1HG2 THR 469 1.667 4.609 -9.582 135 2HG2 THR 469 2HG2 THR 469 1.502 4.129 -11.271 136 3HG2 THR 469 3HG2 THR 469 2.797 5.224 -10.788 137 H HIS 470 H HIS 470 5.419 3.189 -7.645 138 HA HIS 470 HA HIS 470 4.718 5.487 -6.069 139 1HB HIS 470 2HB HIS 470 6.404 3.642 -5.469 140 2HB HIS 470 1HB HIS 470 7.514 4.473 -6.554 141 HD2 HIS 470 2HD HIS 470 8.788 6.627 -5.512 142 HE1 HIS 470 1HE HIS 470 6.647 6.724 -1.862 143 HE2 HIS 470 2HE HIS 470 8.692 7.570 -3.097 144 H THR 471 H THR 471 6.129 7.472 -6.132 145 HA THR 471 HA THR 471 5.875 8.785 -8.575 146 HB THR 471 HB THR 471 7.935 9.614 -6.547 147 HG1 THR 471 1HG THR 471 6.336 10.325 -5.214 148 1HG2 THR 471 1HG2 THR 471 7.359 11.829 -7.208 149 2HG2 THR 471 2HG2 THR 471 5.946 11.264 -8.100 150 3HG2 THR 471 3HG2 THR 471 7.568 10.894 -8.688 151 H ASP 472 H ASP 472 8.376 6.708 -7.414 152 HA ASP 472 HA ASP 472 10.305 7.609 -9.392 153 1HB ASP 472 2HB ASP 472 10.353 5.768 -7.053 154 2HB ASP 472 1HB ASP 472 11.505 5.461 -8.350 155 H GLY 473 H GLY 473 7.735 5.398 -9.252 156 1HA GLY 473 2HA GLY 473 7.072 4.350 -11.333 157 2HA GLY 473 1HA GLY 473 8.772 4.055 -11.663 158 H ARG 474 H ARG 474 8.964 3.300 -8.666 159 HA ARG 474 HA ARG 474 8.589 0.485 -9.098 160 1HB ARG 474 2HB ARG 474 9.485 2.063 -6.682 161 2HB ARG 474 1HB ARG 474 9.411 0.307 -6.726 162 1HG ARG 474 2HG ARG 474 10.973 0.403 -8.697 163 2HG ARG 474 1HG ARG 474 11.179 2.118 -8.344 164 1HD ARG 474 2HD ARG 474 12.434 1.726 -6.507 165 2HD ARG 474 1HD ARG 474 11.516 0.289 -6.059 166 HE ARG 474 HE ARG 474 12.854 -0.555 -8.225 167 1HH1 ARG 474 1HH1 ARG 474 13.892 1.141 -5.363 168 2HH1 ARG 474 2HH1 ARG 474 15.486 0.464 -5.385 169 1HH2 ARG 474 1HH2 ARG 474 14.949 -1.456 -8.256 170 2HH2 ARG 474 2HH2 ARG 474 16.087 -1.012 -7.027 171 H VAL 475 H VAL 475 6.798 -0.631 -8.717 172 HA VAL 475 HA VAL 475 4.535 0.617 -7.458 173 HB VAL 475 HB VAL 475 4.306 -0.858 -9.426 174 1HG1 VAL 475 1HG1 VAL 475 6.085 -2.468 -8.582 175 2HG1 VAL 475 2HG1 VAL 475 4.677 -3.184 -9.358 176 3HG1 VAL 475 3HG1 VAL 475 4.822 -3.203 -7.598 177 1HG2 VAL 475 1HG2 VAL 475 2.343 -2.170 -8.503 178 2HG2 VAL 475 2HG2 VAL 475 2.349 -0.448 -8.145 179 3HG2 VAL 475 3HG2 VAL 475 2.821 -1.600 -6.899 180 H PHE 476 H PHE 476 4.363 0.736 -5.329 181 HA PHE 476 HA PHE 476 5.561 -1.306 -3.631 182 1HB PHE 476 2HB PHE 476 5.006 0.216 -1.775 183 2HB PHE 476 1HB PHE 476 5.936 1.031 -3.027 184 HD1 PHE 476 1HD PHE 476 2.624 0.694 -1.481 185 HD2 PHE 476 2HD PHE 476 5.000 2.816 -4.303 186 HE1 PHE 476 1HE PHE 476 0.886 2.432 -1.633 187 HE2 PHE 476 2HE PHE 476 3.268 4.557 -4.459 188 HZ PHE 476 HZ PHE 476 1.208 4.365 -3.123 189 H PHE 477 H PHE 477 4.137 -1.699 -1.540 190 HA PHE 477 HA PHE 477 1.537 -2.680 -2.510 191 1HB PHE 477 2HB PHE 477 3.177 -3.644 -0.161 192 2HB PHE 477 1HB PHE 477 1.674 -4.355 -0.732 193 HD1 PHE 477 1HD PHE 477 5.164 -3.625 -1.758 194 HD2 PHE 477 2HD PHE 477 1.699 -6.026 -2.348 195 HE1 PHE 477 1HE PHE 477 6.442 -5.094 -3.264 196 HE2 PHE 477 2HE PHE 477 2.972 -7.499 -3.854 197 HZ PHE 477 HZ PHE 477 5.346 -7.033 -4.313 198 H ILE 478 H ILE 478 -0.325 -2.428 -1.214 199 HA ILE 478 HA ILE 478 -0.117 -0.797 1.192 200 HB ILE 478 HB ILE 478 -0.323 0.890 -0.534 201 1HG1 ILE 478 2HG1 ILE 478 -2.798 0.417 1.114 202 2HG1 ILE 478 1HG1 ILE 478 -1.476 1.525 1.426 203 1HG2 ILE 478 1HG2 ILE 478 -2.261 0.975 -2.037 204 2HG2 ILE 478 2HG2 ILE 478 -2.763 -0.606 -1.440 205 3HG2 ILE 478 3HG2 ILE 478 -1.240 -0.435 -2.313 206 1HD1 ILE 478 1HD1 ILE 478 -3.935 1.963 -0.005 207 2HD1 ILE 478 2HD1 ILE 478 -2.540 2.375 -1.003 208 3HD1 ILE 478 3HD1 ILE 478 -2.748 3.132 0.577 209 H ASN 479 H ASN 479 -1.472 -1.565 2.693 210 HA ASN 479 HA ASN 479 -3.596 -3.380 1.838 211 1HB ASN 479 2HB ASN 479 -3.598 -4.258 4.040 212 2HB ASN 479 1HB ASN 479 -1.906 -4.021 3.622 213 1HD2 ASN 479 1HD2 ASN 479 -2.744 -4.290 6.226 214 2HD2 ASN 479 2HD2 ASN 479 -2.518 -2.794 7.058 215 H HIS 480 H HIS 480 -5.751 -3.173 2.551 216 HA HIS 480 HA HIS 480 -6.492 -0.402 3.185 217 1HB HIS 480 2HB HIS 480 -8.194 -2.585 1.971 218 2HB HIS 480 1HB HIS 480 -8.654 -0.898 2.180 219 HD2 HIS 480 2HD HIS 480 -5.597 0.113 0.994 220 HE1 HIS 480 1HE HIS 480 -7.237 -1.550 -2.536 221 HE2 HIS 480 2HE HIS 480 -5.555 0.102 -1.600 222 H ASN 481 H ASN 481 -6.130 -3.274 4.783 223 HA ASN 481 HA ASN 481 -8.516 -3.460 6.279 224 1HB ASN 481 2HB ASN 481 -5.854 -4.242 7.422 225 2HB ASN 481 1HB ASN 481 -7.417 -5.029 7.611 226 1HD2 ASN 481 1HD2 ASN 481 -4.618 -4.654 5.632 227 2HD2 ASN 481 2HD2 ASN 481 -4.954 -5.945 4.536 228 H ILE 482 H ILE 482 -5.427 -1.844 6.931 229 HA ILE 482 HA ILE 482 -6.810 -0.198 8.941 230 HB ILE 482 HB ILE 482 -4.531 -0.085 10.109 231 1HG1 ILE 482 2HG1 ILE 482 -4.156 -2.590 8.452 232 2HG1 ILE 482 1HG1 ILE 482 -3.192 -1.119 8.358 233 1HG2 ILE 482 1HG2 ILE 482 -5.232 -1.658 11.607 234 2HG2 ILE 482 2HG2 ILE 482 -5.637 -2.832 10.354 235 3HG2 ILE 482 3HG2 ILE 482 -6.712 -1.469 10.665 236 1HD1 ILE 482 1HD1 ILE 482 -3.123 -1.975 11.040 237 2HD1 ILE 482 2HD1 ILE 482 -1.813 -1.967 9.859 238 3HD1 ILE 482 3HD1 ILE 482 -2.839 -3.392 10.029 239 H LYS 483 H LYS 483 -6.101 0.192 6.063 240 HA LYS 483 HA LYS 483 -5.167 1.747 4.676 241 1HB LYS 483 2HB LYS 483 -5.515 3.565 7.060 242 2HB LYS 483 1HB LYS 483 -5.507 4.027 5.363 243 1HG LYS 483 2HG LYS 483 -7.758 4.057 5.979 244 2HG LYS 483 1HG LYS 483 -7.554 2.533 5.114 245 1HD LYS 483 2HD LYS 483 -7.705 1.264 7.048 246 2HD LYS 483 1HD LYS 483 -7.246 2.613 8.088 247 1HE LYS 483 2HE LYS 483 -9.510 2.413 8.507 248 2HE LYS 483 1HE LYS 483 -9.468 3.668 7.269 249 1HZ LYS 483 1HZ LYS 483 -10.484 2.351 5.782 250 2HZ LYS 483 2HZ LYS 483 -11.015 1.498 7.142 251 3HZ LYS 483 3HZ LYS 483 -9.668 0.953 6.276 252 H LYS 484 H LYS 484 -3.090 0.665 4.740 253 HA LYS 484 HA LYS 484 -1.003 2.466 5.649 254 1HB LYS 484 2HB LYS 484 -1.680 0.285 7.233 255 2HB LYS 484 1HB LYS 484 -0.289 -0.279 6.316 256 1HG LYS 484 2HG LYS 484 1.141 1.112 7.368 257 2HG LYS 484 1HG LYS 484 -0.051 2.405 7.513 258 1HD LYS 484 2HD LYS 484 -0.416 1.829 9.628 259 2HD LYS 484 1HD LYS 484 -0.931 0.225 9.102 260 1HE LYS 484 2HE LYS 484 1.017 -0.731 9.693 261 2HE LYS 484 1HE LYS 484 1.974 0.636 9.125 262 1HZ LYS 484 1HZ LYS 484 2.304 0.811 11.354 263 2HZ LYS 484 2HZ LYS 484 0.798 0.157 11.760 264 3HZ LYS 484 3HZ LYS 484 0.907 1.759 11.228 265 H THR 485 H THR 485 1.150 1.804 4.805 266 HA THR 485 HA THR 485 1.071 -0.008 2.515 267 HB THR 485 HB THR 485 0.575 1.959 1.335 268 HG1 THR 485 1HG THR 485 2.470 2.320 0.160 269 1HG2 THR 485 1HG2 THR 485 2.725 3.477 2.800 270 2HG2 THR 485 2HG2 THR 485 1.047 3.447 3.340 271 3HG2 THR 485 3HG2 THR 485 1.452 4.116 1.759 272 H GLN 486 H GLN 486 3.299 -0.359 1.606 273 HA GLN 486 HA GLN 486 5.536 0.392 3.260 274 1HB GLN 486 2HB GLN 486 6.115 -2.101 3.594 275 2HB GLN 486 1HB GLN 486 4.916 -1.373 4.657 276 1HG GLN 486 2HG GLN 486 3.145 -2.446 3.597 277 2HG GLN 486 1HG GLN 486 4.105 -2.797 2.160 278 1HE2 GLN 486 1HE2 GLN 486 5.733 -4.405 2.301 279 2HE2 GLN 486 2HE2 GLN 486 5.591 -5.688 3.445 280 H TRP 487 H TRP 487 7.536 -0.031 2.300 281 HA TRP 487 HA TRP 487 7.500 -0.221 -0.546 282 1HB TRP 487 2HB TRP 487 9.521 0.261 1.559 283 2HB TRP 487 1HB TRP 487 10.129 -0.458 0.072 284 HD1 TRP 487 HD TRP 487 9.811 2.790 1.522 285 HE1 TRP 487 1HE TRP 487 9.665 4.649 -0.253 286 HE3 TRP 487 3HE TRP 487 8.718 -0.078 -2.565 287 HZ2 TRP 487 2HZ TRP 487 9.154 4.868 -3.021 288 HZ3 TRP 487 3HZ TRP 487 8.415 1.034 -4.740 289 HH2 TRP 487 HH TRP 487 8.629 3.455 -4.960 290 H GLU 488 H GLU 488 8.464 -2.389 2.071 291 HA GLU 488 HA GLU 488 9.638 -4.397 0.510 292 1HB GLU 488 2HB GLU 488 8.722 -4.089 3.257 293 2HB GLU 488 1HB GLU 488 8.480 -5.724 2.657 294 1HG GLU 488 2HG GLU 488 11.088 -4.778 1.923 295 2HG GLU 488 1HG GLU 488 10.832 -4.598 3.659 296 H ASP 489 H ASP 489 8.666 -6.701 0.466 297 HA ASP 489 HA ASP 489 5.987 -6.490 -0.728 298 1HB ASP 489 2HB ASP 489 7.837 -8.816 -1.160 299 2HB ASP 489 1HB ASP 489 6.540 -8.227 -2.194 300 HA PRO 490 HA PRO 490 4.902 -8.804 3.028 301 1HB PRO 490 2HB PRO 490 2.207 -8.597 2.664 302 2HB PRO 490 1HB PRO 490 3.190 -7.324 3.394 303 1HG PRO 490 2HG PRO 490 2.192 -7.568 0.583 304 2HG PRO 490 1HG PRO 490 2.240 -6.140 1.633 305 1HD PRO 490 2HD PRO 490 4.074 -6.564 -0.299 306 2HD PRO 490 1HD PRO 490 4.484 -5.768 1.234 307 H ARG 491 H ARG 491 3.477 -9.248 -0.185 308 HA ARG 491 HA ARG 491 2.551 -11.899 0.351 309 1HB ARG 491 2HB ARG 491 2.234 -11.970 -2.156 310 2HB ARG 491 1HB ARG 491 1.377 -10.685 -1.316 311 1HG ARG 491 2HG ARG 491 2.666 -9.035 -2.224 312 2HG ARG 491 1HG ARG 491 4.068 -10.089 -2.419 313 1HD ARG 491 2HD ARG 491 1.581 -9.984 -4.110 314 2HD ARG 491 1HD ARG 491 3.239 -9.626 -4.596 315 HE ARG 491 HE ARG 491 2.000 -12.186 -4.516 316 1HH1 ARG 491 1HH1 ARG 491 5.039 -10.547 -4.069 317 2HH1 ARG 491 2HH1 ARG 491 5.995 -11.936 -4.462 318 1HH2 ARG 491 1HH2 ARG 491 3.248 -14.024 -5.030 319 2HH2 ARG 491 2HH2 ARG 491 4.976 -13.915 -5.010 320 H MET 492 H MET 492 5.539 -10.519 -0.690 321 HA MET 492 HA MET 492 6.552 -12.985 -1.819 322 1HB MET 492 2HB MET 492 7.164 -10.364 -2.243 323 2HB MET 492 1HB MET 492 8.468 -10.844 -1.166 324 1HG MET 492 2HG MET 492 9.459 -12.119 -2.718 325 2HG MET 492 1HG MET 492 7.928 -12.712 -3.359 326 1HE MET 492 1HE MET 492 7.763 -12.544 -5.703 327 2HE MET 492 2HE MET 492 9.521 -12.450 -5.810 328 3HE MET 492 3HE MET 492 8.519 -11.339 -6.743 329 H GLN 493 H GLN 493 6.630 -11.291 1.217 330 HA GLN 493 HA GLN 493 8.691 -13.075 2.271 331 1HB GLN 493 2HB GLN 493 8.912 -10.708 2.806 332 2HB GLN 493 1HB GLN 493 7.299 -10.691 3.506 333 1HG GLN 493 2HG GLN 493 7.954 -11.840 5.388 334 2HG GLN 493 1HG GLN 493 9.352 -12.558 4.590 335 1HE2 GLN 493 1HE2 GLN 493 11.059 -10.980 3.925 336 2HE2 GLN 493 2HE2 GLN 493 11.422 -9.699 5.027 337 H ASN 494 H ASN 494 6.953 -14.808 1.852 338 HA ASN 494 HA ASN 494 4.790 -14.955 3.730 339 1HB ASN 494 2HB ASN 494 5.778 -16.531 1.466 340 2HB ASN 494 1HB ASN 494 5.121 -17.515 2.771 341 1HD2 ASN 494 1HD2 ASN 494 4.422 -15.549 0.116 342 2HD2 ASN 494 2HD2 ASN 494 2.706 -15.490 0.300 343 H VAL 495 H VAL 495 7.591 -17.111 3.239 344 HA VAL 495 HA VAL 495 8.834 -18.347 4.689 345 HB VAL 495 HB VAL 495 7.999 -16.470 6.888 346 1HG1 VAL 495 1HG1 VAL 495 9.601 -17.466 8.058 347 2HG1 VAL 495 2HG1 VAL 495 10.780 -17.174 6.778 348 3HG1 VAL 495 3HG1 VAL 495 9.781 -18.627 6.742 349 1HG2 VAL 495 1HG2 VAL 495 8.574 -15.039 5.049 350 2HG2 VAL 495 2HG2 VAL 495 10.023 -15.983 4.707 351 3HG2 VAL 495 3HG2 VAL 495 9.917 -15.040 6.192 352 H ALA 496 H ALA 496 5.991 -18.945 4.332 353 HA ALA 496 HA ALA 496 5.733 -20.935 6.343 354 1HB ALA 496 1HB ALA 496 4.145 -18.426 6.632 355 2HB ALA 496 2HB ALA 496 4.918 -19.418 7.868 356 3HB ALA 496 3HB ALA 496 3.428 -19.967 7.102 357 H ILE 497 H ILE 497 4.955 -22.579 5.218 358 HA ILE 497 HA ILE 497 3.389 -22.142 2.825 359 HB ILE 497 HB ILE 497 3.706 -24.909 3.855 360 1HG1 ILE 497 2HG1 ILE 497 5.888 -24.091 4.455 361 2HG1 ILE 497 1HG1 ILE 497 6.053 -25.004 2.958 362 1HG2 ILE 497 1HG2 ILE 497 4.581 -24.893 1.301 363 2HG2 ILE 497 2HG2 ILE 497 3.517 -23.486 1.291 364 3HG2 ILE 497 3HG2 ILE 497 2.888 -25.063 1.769 365 1HD1 ILE 497 1HD1 ILE 497 7.348 -23.135 2.556 366 2HD1 ILE 497 2HD1 ILE 497 6.242 -22.059 3.411 367 3HD1 ILE 497 3HD1 ILE 497 5.808 -22.684 1.821 368 H THR 498 H THR 498 1.505 -23.877 2.551 369 HA THR 498 HA THR 498 -0.329 -23.374 4.784 370 HB THR 498 HB THR 498 -1.036 -22.564 2.557 371 HG1 THR 498 1HG THR 498 -3.126 -23.560 2.667 372 1HG2 THR 498 1HG2 THR 498 -0.081 -24.120 1.050 373 2HG2 THR 498 2HG2 THR 498 -1.825 -24.356 0.935 374 3HG2 THR 498 3HG2 THR 498 -0.841 -25.488 1.862 375 H GLY 499 H GLY 499 -1.559 -25.017 5.704 376 1HA GLY 499 2HA GLY 499 -2.183 -27.488 5.195 377 2HA GLY 499 1HA GLY 499 -0.443 -27.706 5.315 378 1H GLY 605 1HT GLY 605 24.392 11.464 3.658 379 2H GLY 605 2HT GLY 605 23.153 12.399 2.985 380 3H GLY 605 3HT GLY 605 24.469 11.928 2.032 381 1HA GLY 605 1HA GLY 605 23.543 9.554 2.932 382 2HA GLY 605 2HA GLY 605 22.070 10.486 2.708 383 H SER 606 H SER 606 24.917 9.186 1.118 384 HA SER 606 HA SER 606 23.918 9.926 -1.510 385 1HB SER 606 2HB SER 606 26.410 8.470 -0.608 386 2HB SER 606 1HB SER 606 26.006 8.748 -2.302 387 HG SER 606 HG SER 606 25.828 11.063 -1.539 388 H THR 607 H THR 607 24.142 7.128 0.565 389 HA THR 607 HA THR 607 23.243 5.329 -1.545 390 HB THR 607 HB THR 607 23.355 4.325 1.230 391 HG1 THR 607 1HG THR 607 25.613 4.389 1.304 392 1HG2 THR 607 1HG2 THR 607 23.474 3.302 -1.392 393 2HG2 THR 607 2HG2 THR 607 23.586 2.405 0.122 394 3HG2 THR 607 3HG2 THR 607 25.051 2.994 -0.664 395 H LEU 608 H LEU 608 22.173 5.905 1.811 396 HA LEU 608 HA LEU 608 20.111 5.752 2.776 397 1HB LEU 608 2HB LEU 608 19.904 7.913 1.682 398 2HB LEU 608 1HB LEU 608 19.384 7.139 0.197 399 HG LEU 608 HG LEU 608 17.546 6.220 2.035 400 1HD1 LEU 608 1HD1 LEU 608 18.762 8.381 3.276 401 2HD1 LEU 608 2HD1 LEU 608 17.204 7.664 3.689 402 3HD1 LEU 608 3HD1 LEU 608 17.277 9.044 2.594 403 1HD2 LEU 608 1HD2 LEU 608 17.225 7.059 -0.305 404 2HD2 LEU 608 2HD2 LEU 608 17.241 8.698 0.350 405 3HD2 LEU 608 3HD2 LEU 608 15.983 7.563 0.842 406 HA PRO 609 HA PRO 609 18.940 2.049 0.130 407 1HB PRO 609 2HB PRO 609 19.348 0.182 2.064 408 2HB PRO 609 1HB PRO 609 20.617 0.713 0.954 409 1HG PRO 609 2HG PRO 609 20.088 1.565 3.776 410 2HG PRO 609 1HG PRO 609 21.634 1.187 2.993 411 1HD PRO 609 2HD PRO 609 20.791 3.727 3.380 412 2HD PRO 609 1HD PRO 609 21.769 3.255 1.976 413 H ILE 610 H ILE 610 18.245 2.919 3.482 414 HA ILE 610 HA ILE 610 15.453 2.096 3.039 415 HB ILE 610 HB ILE 610 16.923 1.850 5.665 416 1HG1 ILE 610 2HG1 ILE 610 16.034 -0.345 3.783 417 2HG1 ILE 610 1HG1 ILE 610 17.694 0.221 3.939 418 1HG2 ILE 610 1HG2 ILE 610 14.230 0.737 4.919 419 2HG2 ILE 610 2HG2 ILE 610 14.440 2.307 5.694 420 3HG2 ILE 610 3HG2 ILE 610 14.962 0.839 6.520 421 1HD1 ILE 610 1HD1 ILE 610 17.181 -1.868 5.185 422 2HD1 ILE 610 2HD1 ILE 610 16.099 -0.928 6.212 423 3HD1 ILE 610 3HD1 ILE 610 17.825 -0.564 6.182 424 HA PRO 611 HA PRO 611 15.335 6.616 3.838 425 1HB PRO 611 2HB PRO 611 12.507 5.992 3.138 426 2HB PRO 611 1HB PRO 611 13.545 7.302 2.566 427 1HG PRO 611 2HG PRO 611 13.014 5.210 1.006 428 2HG PRO 611 1HG PRO 611 14.626 5.950 1.023 429 1HD PRO 611 2HD PRO 611 13.694 3.402 2.267 430 2HD PRO 611 1HD PRO 611 15.258 3.791 1.525 431 H GLY 612 H GLY 612 12.493 4.599 4.648 432 1HA GLY 612 2HA GLY 612 12.414 4.163 7.186 433 2HA GLY 612 1HA GLY 612 12.429 5.918 7.279 434 H THR 613 H THR 613 10.680 6.951 5.794 435 HA THR 613 HA THR 613 8.160 5.947 6.717 436 HB THR 613 HB THR 613 7.180 7.882 5.544 437 HG1 THR 613 1HG THR 613 8.952 7.773 3.856 438 1HG2 THR 613 1HG2 THR 613 8.766 7.922 7.773 439 2HG2 THR 613 2HG2 THR 613 7.780 9.271 7.208 440 3HG2 THR 613 3HG2 THR 613 9.491 9.190 6.785 441 HA PRO 614 HA PRO 614 7.210 3.449 3.169 442 1HB PRO 614 2HB PRO 614 4.547 3.172 3.541 443 2HB PRO 614 1HB PRO 614 5.736 2.351 4.560 444 1HG PRO 614 2HG PRO 614 4.204 4.869 5.094 445 2HG PRO 614 1HG PRO 614 4.517 3.501 6.178 446 1HD PRO 614 2HD PRO 614 5.945 5.802 6.281 447 2HD PRO 614 1HD PRO 614 6.650 4.221 6.676 448 HA PRO 615 HA PRO 615 5.824 5.816 -0.275 449 1HB PRO 615 2HB PRO 615 3.634 3.829 -0.675 450 2HB PRO 615 1HB PRO 615 4.832 4.429 -1.826 451 1HG PRO 615 2HG PRO 615 5.083 2.008 -0.756 452 2HG PRO 615 1HG PRO 615 6.504 3.039 -1.013 453 1HD PRO 615 2HD PRO 615 5.056 2.399 1.516 454 2HD PRO 615 1HD PRO 615 6.789 2.669 1.243 455 HA PRO 616 HA PRO 616 2.281 8.413 0.260 456 1HB PRO 616 2HB PRO 616 0.734 7.008 -1.870 457 2HB PRO 616 1HB PRO 616 1.059 8.734 -1.667 458 1HG PRO 616 2HG PRO 616 2.378 7.322 -3.491 459 2HG PRO 616 1HG PRO 616 3.206 8.565 -2.535 460 1HD PRO 616 2HD PRO 616 3.310 5.594 -2.279 461 2HD PRO 616 1HD PRO 616 4.592 6.796 -2.025 462 H ASN 617 H ASN 617 1.061 8.213 2.014 463 HA ASN 617 HA ASN 617 -0.056 5.821 2.951 464 1HB ASN 617 2HB ASN 617 0.321 8.360 3.971 465 2HB ASN 617 1HB ASN 617 -1.433 8.227 3.886 466 1HD2 ASN 617 1HD2 ASN 617 1.117 5.868 4.583 467 2HD2 ASN 617 2HD2 ASN 617 0.493 5.389 6.121 468 H TYR 618 H TYR 618 -2.250 5.165 3.142 469 HA TYR 618 HA TYR 618 -3.740 5.365 0.770 470 1HB TYR 618 2HB TYR 618 -3.933 3.442 2.256 471 2HB TYR 618 1HB TYR 618 -4.601 4.460 3.527 472 HD1 TYR 618 1HD TYR 618 -5.283 3.460 -0.010 473 HD2 TYR 618 2HD TYR 618 -6.899 4.566 3.769 474 HE1 TYR 618 1HE TYR 618 -7.549 3.009 -0.853 475 HE2 TYR 618 2HE TYR 618 -9.169 4.118 2.935 476 HH TYR 618 HH TYR 618 -10.366 3.952 0.855 477 H ASP 619 H ASP 619 -3.889 7.129 3.797 478 HA ASP 619 HA ASP 619 -6.375 8.403 3.359 479 1HB ASP 619 2HB ASP 619 -5.632 9.988 5.103 480 2HB ASP 619 1HB ASP 619 -5.365 8.313 5.577 481 H SER 620 H SER 620 -3.165 8.997 2.194 482 HA SER 620 HA SER 620 -3.889 11.637 1.178 483 1HB SER 620 2HB SER 620 -1.494 10.549 2.119 484 2HB SER 620 1HB SER 620 -1.264 10.688 0.376 485 HG SER 620 HG SER 620 -2.288 12.812 1.938 486 H LEU 621 H LEU 621 -3.566 8.366 0.132 487 HA LEU 621 HA LEU 621 -3.179 8.902 -2.643 488 1HB LEU 621 2HB LEU 621 -3.790 6.524 -0.977 489 2HB LEU 621 1HB LEU 621 -4.239 6.438 -2.670 490 HG LEU 621 HG LEU 621 -1.454 7.069 -1.693 491 1HD1 LEU 621 1HD1 LEU 621 -1.809 4.534 -3.045 492 2HD1 LEU 621 2HD1 LEU 621 -2.752 4.623 -1.556 493 3HD1 LEU 621 3HD1 LEU 621 -1.010 4.897 -1.514 494 1HD2 LEU 621 1HD2 LEU 621 -1.875 6.000 -4.384 495 2HD2 LEU 621 2HD2 LEU 621 -0.856 7.331 -3.836 496 3HD2 LEU 621 3HD2 LEU 621 -2.576 7.598 -4.124 Start of MODEL 7 1 1H GLY 450 1HT GLY 450 2.557 -24.767 -8.810 2 2H GLY 450 2HT GLY 450 3.515 -26.071 -9.304 3 3H GLY 450 3HT GLY 450 4.208 -24.542 -9.106 4 1HA GLY 450 1HA GLY 450 4.864 -25.653 -7.196 5 2HA GLY 450 2HA GLY 450 3.479 -24.697 -6.691 6 H SER 451 H SER 451 3.681 -26.447 -4.954 7 HA SER 451 HA SER 451 2.032 -28.754 -5.756 8 1HB SER 451 2HB SER 451 3.142 -30.087 -4.051 9 2HB SER 451 1HB SER 451 4.351 -29.397 -5.134 10 HG SER 451 HG SER 451 4.998 -28.037 -3.579 11 HA PRO 452 HA PRO 452 -1.064 -27.692 -2.823 12 1HB PRO 452 2HB PRO 452 -0.880 -30.410 -1.653 13 2HB PRO 452 1HB PRO 452 -2.264 -29.590 -2.383 14 1HG PRO 452 2HG PRO 452 -1.001 -31.557 -3.669 15 2HG PRO 452 1HG PRO 452 -1.624 -30.143 -4.540 16 1HD PRO 452 2HD PRO 452 1.183 -30.786 -3.725 17 2HD PRO 452 1HD PRO 452 0.586 -30.051 -5.228 18 H VAL 453 H VAL 453 1.343 -29.837 -1.288 19 HA VAL 453 HA VAL 453 1.007 -28.570 1.270 20 HB VAL 453 HB VAL 453 1.541 -30.945 1.164 21 1HG1 VAL 453 1HG1 VAL 453 4.351 -30.644 0.451 22 2HG1 VAL 453 2HG1 VAL 453 3.247 -30.263 -0.869 23 3HG1 VAL 453 3HG1 VAL 453 3.168 -31.838 -0.080 24 1HG2 VAL 453 1HG2 VAL 453 3.746 -30.819 2.580 25 2HG2 VAL 453 2HG2 VAL 453 2.237 -30.156 3.208 26 3HG2 VAL 453 3HG2 VAL 453 3.448 -29.082 2.505 27 H ASP 454 H ASP 454 1.961 -26.733 1.877 28 HA ASP 454 HA ASP 454 3.500 -25.076 2.132 29 1HB ASP 454 2HB ASP 454 5.072 -27.407 1.517 30 2HB ASP 454 1HB ASP 454 5.801 -25.986 0.773 31 H SER 455 H SER 455 2.537 -23.563 0.842 32 HA SER 455 HA SER 455 3.919 -22.820 -1.537 33 1HB SER 455 2HB SER 455 2.320 -23.222 -3.195 34 2HB SER 455 1HB SER 455 2.242 -24.692 -2.224 35 HG SER 455 HG SER 455 0.462 -23.646 -1.094 36 H ASN 456 H ASN 456 1.802 -21.257 -2.681 37 HA ASN 456 HA ASN 456 0.506 -19.666 -0.733 38 1HB ASN 456 2HB ASN 456 3.263 -19.067 -1.155 39 2HB ASN 456 1HB ASN 456 2.308 -17.754 -1.836 40 1HD2 ASN 456 1HD2 ASN 456 3.811 -18.781 0.870 41 2HD2 ASN 456 2HD2 ASN 456 2.915 -17.908 2.060 42 H ASP 457 H ASP 457 -1.264 -19.689 -2.042 43 HA ASP 457 HA ASP 457 -1.015 -18.825 -4.815 44 1HB ASP 457 2HB ASP 457 -3.160 -20.130 -3.189 45 2HB ASP 457 1HB ASP 457 -3.613 -19.250 -4.646 46 H LEU 458 H LEU 458 -0.330 -16.650 -3.985 47 HA LEU 458 HA LEU 458 -2.407 -14.992 -2.846 48 1HB LEU 458 2HB LEU 458 -0.759 -13.201 -2.944 49 2HB LEU 458 1HB LEU 458 -0.086 -14.633 -2.189 50 HG LEU 458 HG LEU 458 0.754 -15.086 -4.676 51 1HD1 LEU 458 1HD1 LEU 458 -0.439 -12.740 -5.140 52 2HD1 LEU 458 2HD1 LEU 458 0.989 -13.286 -6.021 53 3HD1 LEU 458 3HD1 LEU 458 1.159 -12.164 -4.673 54 1HD2 LEU 458 1HD2 LEU 458 1.872 -14.083 -2.273 55 2HD2 LEU 458 2HD2 LEU 458 2.585 -13.188 -3.616 56 3HD2 LEU 458 3HD2 LEU 458 2.678 -14.949 -3.582 57 H GLY 459 H GLY 459 -0.787 -15.383 -5.966 58 1HA GLY 459 2HA GLY 459 -1.362 -14.670 -8.068 59 2HA GLY 459 1HA GLY 459 -3.005 -14.522 -7.463 60 HA PRO 460 HA PRO 460 -2.239 -10.162 -8.111 61 1HB PRO 460 2HB PRO 460 -4.682 -9.243 -7.512 62 2HB PRO 460 1HB PRO 460 -4.388 -10.172 -8.988 63 1HG PRO 460 2HG PRO 460 -5.567 -11.067 -6.388 64 2HG PRO 460 1HG PRO 460 -6.076 -11.458 -8.040 65 1HD PRO 460 2HD PRO 460 -4.541 -13.108 -6.463 66 2HD PRO 460 1HD PRO 460 -4.545 -13.144 -8.238 67 H LEU 461 H LEU 461 -0.847 -10.604 -6.041 68 HA LEU 461 HA LEU 461 -0.135 -9.858 -4.012 69 1HB LEU 461 2HB LEU 461 -2.298 -7.845 -3.771 70 2HB LEU 461 1HB LEU 461 -0.578 -7.682 -3.478 71 HG LEU 461 HG LEU 461 -1.976 -7.633 -6.150 72 1HD1 LEU 461 1HD1 LEU 461 -1.876 -5.608 -4.515 73 2HD1 LEU 461 2HD1 LEU 461 -1.513 -5.382 -6.227 74 3HD1 LEU 461 3HD1 LEU 461 -0.200 -5.502 -5.056 75 1HD2 LEU 461 1HD2 LEU 461 0.916 -7.894 -5.435 76 2HD2 LEU 461 2HD2 LEU 461 0.433 -7.042 -6.902 77 3HD2 LEU 461 3HD2 LEU 461 -0.009 -8.734 -6.679 78 HA PRO 462 HA PRO 462 -2.734 -11.516 -0.862 79 1HB PRO 462 2HB PRO 462 -2.331 -9.555 1.181 80 2HB PRO 462 1HB PRO 462 -1.492 -11.089 0.966 81 1HG PRO 462 2HG PRO 462 -0.354 -8.574 0.663 82 2HG PRO 462 1HG PRO 462 0.312 -10.090 0.037 83 1HD PRO 462 2HD PRO 462 -1.187 -7.947 -1.380 84 2HD PRO 462 1HD PRO 462 0.090 -9.023 -1.981 85 HA PRO 463 HA PRO 463 -6.759 -9.765 -0.525 86 1HB PRO 463 2HB PRO 463 -7.498 -10.248 2.064 87 2HB PRO 463 1HB PRO 463 -7.463 -11.486 0.805 88 1HG PRO 463 2HG PRO 463 -5.445 -10.885 2.929 89 2HG PRO 463 1HG PRO 463 -6.025 -12.456 2.346 90 1HD PRO 463 2HD PRO 463 -3.658 -11.420 1.570 91 2HD PRO 463 1HD PRO 463 -4.655 -12.413 0.487 92 H GLY 464 H GLY 464 -7.569 -7.771 -0.315 93 1HA GLY 464 2HA GLY 464 -8.007 -5.687 0.585 94 2HA GLY 464 1HA GLY 464 -7.124 -6.164 2.024 95 H TRP 465 H TRP 465 -5.062 -6.808 -0.443 96 HA TRP 465 HA TRP 465 -3.639 -4.301 -0.002 97 1HB TRP 465 2HB TRP 465 -2.842 -6.996 -1.067 98 2HB TRP 465 1HB TRP 465 -1.801 -5.590 -1.266 99 HD1 TRP 465 HD TRP 465 -3.226 -7.871 1.470 100 HE1 TRP 465 1HE TRP 465 -1.770 -7.592 3.575 101 HE3 TRP 465 3HE TRP 465 -0.278 -4.009 -0.098 102 HZ2 TRP 465 2HZ TRP 465 0.343 -5.945 4.445 103 HZ3 TRP 465 3HZ TRP 465 1.436 -3.134 1.433 104 HH2 TRP 465 HH TRP 465 1.739 -4.084 3.663 105 H GLU 466 H GLU 466 -2.378 -3.446 -1.897 106 HA GLU 466 HA GLU 466 -3.620 -3.775 -4.494 107 1HB GLU 466 2HB GLU 466 -4.345 -1.626 -2.718 108 2HB GLU 466 1HB GLU 466 -3.547 -0.977 -4.145 109 1HG GLU 466 2HG GLU 466 -5.793 -2.951 -4.355 110 2HG GLU 466 1HG GLU 466 -6.081 -1.218 -4.201 111 H GLU 467 H GLU 467 -2.264 -3.228 -6.164 112 HA GLU 467 HA GLU 467 0.471 -2.548 -5.400 113 1HB GLU 467 2HB GLU 467 1.085 -3.269 -7.644 114 2HB GLU 467 1HB GLU 467 0.102 -4.496 -6.863 115 1HG GLU 467 2HG GLU 467 -1.863 -3.334 -8.096 116 2HG GLU 467 1HG GLU 467 -0.589 -2.674 -9.119 117 H ARG 468 H ARG 468 0.694 -0.386 -5.171 118 HA ARG 468 HA ARG 468 -0.412 1.358 -7.262 119 1HB ARG 468 2HB ARG 468 0.160 1.699 -4.378 120 2HB ARG 468 1HB ARG 468 0.461 3.098 -5.397 121 1HG ARG 468 2HG ARG 468 -2.113 1.794 -5.881 122 2HG ARG 468 1HG ARG 468 -1.925 2.466 -4.259 123 1HD ARG 468 2HD ARG 468 -2.803 4.243 -5.470 124 2HD ARG 468 1HD ARG 468 -1.071 4.574 -5.466 125 HE ARG 468 HE ARG 468 -1.863 3.072 -7.756 126 1HH1 ARG 468 1HH1 ARG 468 -1.795 6.281 -6.401 127 2HH1 ARG 468 2HH1 ARG 468 -1.776 7.071 -7.943 128 1HH2 ARG 468 1HH2 ARG 468 -1.839 4.102 -9.789 129 2HH2 ARG 468 2HH2 ARG 468 -1.802 5.832 -9.869 130 H THR 469 H THR 469 0.874 2.798 -8.381 131 HA THR 469 HA THR 469 3.691 2.098 -8.500 132 HB THR 469 HB THR 469 3.752 3.583 -10.484 133 HG1 THR 469 1HG THR 469 1.666 4.357 -11.227 134 1HG2 THR 469 1HG2 THR 469 2.598 1.087 -10.252 135 2HG2 THR 469 2HG2 THR 469 3.048 1.881 -11.761 136 3HG2 THR 469 3HG2 THR 469 1.395 2.005 -11.158 137 H HIS 470 H HIS 470 5.280 3.234 -7.605 138 HA HIS 470 HA HIS 470 4.695 5.610 -6.099 139 1HB HIS 470 2HB HIS 470 6.363 3.742 -5.498 140 2HB HIS 470 1HB HIS 470 7.454 4.529 -6.632 141 HD2 HIS 470 2HD HIS 470 8.819 6.648 -5.654 142 HE1 HIS 470 1HE HIS 470 6.705 6.950 -1.999 143 HE2 HIS 470 2HE HIS 470 8.578 7.922 -3.407 144 H THR 471 H THR 471 6.055 7.581 -6.289 145 HA THR 471 HA THR 471 5.785 8.780 -8.788 146 HB THR 471 HB THR 471 7.890 9.778 -6.915 147 HG1 THR 471 1HG THR 471 6.344 10.468 -5.468 148 1HG2 THR 471 1HG2 THR 471 6.879 10.855 -9.123 149 2HG2 THR 471 2HG2 THR 471 7.344 11.841 -7.736 150 3HG2 THR 471 3HG2 THR 471 5.651 11.416 -7.987 151 H ASP 472 H ASP 472 8.323 6.794 -7.540 152 HA ASP 472 HA ASP 472 10.236 7.640 -9.554 153 1HB ASP 472 2HB ASP 472 10.308 6.018 -7.098 154 2HB ASP 472 1HB ASP 472 11.359 5.445 -8.389 155 H GLY 473 H GLY 473 7.700 5.392 -9.338 156 1HA GLY 473 2HA GLY 473 7.054 4.263 -11.383 157 2HA GLY 473 1HA GLY 473 8.759 3.991 -11.706 158 H ARG 474 H ARG 474 8.973 3.344 -8.690 159 HA ARG 474 HA ARG 474 8.664 0.510 -9.022 160 1HB ARG 474 2HB ARG 474 9.392 2.086 -6.544 161 2HB ARG 474 1HB ARG 474 9.597 0.354 -6.768 162 1HG ARG 474 2HG ARG 474 11.251 0.708 -8.468 163 2HG ARG 474 1HG ARG 474 10.960 2.447 -8.445 164 1HD ARG 474 2HD ARG 474 11.901 2.676 -6.294 165 2HD ARG 474 1HD ARG 474 11.876 0.934 -6.014 166 HE ARG 474 HE ARG 474 13.507 1.125 -8.127 167 1HH1 ARG 474 1HH1 ARG 474 13.423 2.873 -5.112 168 2HH1 ARG 474 2HH1 ARG 474 15.130 3.158 -5.082 169 1HH2 ARG 474 1HH2 ARG 474 15.756 1.493 -8.092 170 2HH2 ARG 474 2HH2 ARG 474 16.456 2.373 -6.775 171 H VAL 475 H VAL 475 6.856 -0.589 -8.684 172 HA VAL 475 HA VAL 475 4.588 0.647 -7.425 173 HB VAL 475 HB VAL 475 4.371 -0.823 -9.399 174 1HG1 VAL 475 1HG1 VAL 475 4.733 -3.152 -9.334 175 2HG1 VAL 475 2HG1 VAL 475 4.873 -3.174 -7.573 176 3HG1 VAL 475 3HG1 VAL 475 6.140 -2.440 -8.551 177 1HG2 VAL 475 1HG2 VAL 475 2.397 -2.120 -8.506 178 2HG2 VAL 475 2HG2 VAL 475 2.413 -0.405 -8.112 179 3HG2 VAL 475 3HG2 VAL 475 2.869 -1.586 -6.887 180 H PHE 476 H PHE 476 4.405 0.753 -5.294 181 HA PHE 476 HA PHE 476 5.619 -1.273 -3.594 182 1HB PHE 476 2HB PHE 476 5.048 0.220 -1.740 183 2HB PHE 476 1HB PHE 476 5.909 1.093 -3.003 184 HD1 PHE 476 1HD PHE 476 4.660 2.616 -4.514 185 HD2 PHE 476 2HD PHE 476 2.853 0.808 -1.110 186 HE1 PHE 476 1HE PHE 476 2.842 4.274 -4.601 187 HE2 PHE 476 2HE PHE 476 1.032 2.461 -1.193 188 HZ PHE 476 HZ PHE 476 1.026 4.198 -2.940 189 H PHE 477 H PHE 477 4.063 -1.485 -1.445 190 HA PHE 477 HA PHE 477 1.545 -2.618 -2.479 191 1HB PHE 477 2HB PHE 477 3.141 -3.539 -0.084 192 2HB PHE 477 1HB PHE 477 1.681 -4.292 -0.710 193 HD1 PHE 477 1HD PHE 477 1.788 -5.896 -2.414 194 HD2 PHE 477 2HD PHE 477 5.212 -3.534 -1.514 195 HE1 PHE 477 1HE PHE 477 3.158 -7.333 -3.868 196 HE2 PHE 477 2HE PHE 477 6.588 -4.967 -2.966 197 HZ PHE 477 HZ PHE 477 5.560 -6.869 -4.146 198 H ILE 478 H ILE 478 -0.341 -2.414 -1.216 199 HA ILE 478 HA ILE 478 -0.220 -0.791 1.197 200 HB ILE 478 HB ILE 478 -0.443 0.839 -0.675 201 1HG1 ILE 478 2HG1 ILE 478 -2.742 0.541 1.256 202 2HG1 ILE 478 1HG1 ILE 478 -1.319 1.559 1.420 203 1HG2 ILE 478 1HG2 ILE 478 -3.199 -0.202 -1.157 204 2HG2 ILE 478 2HG2 ILE 478 -1.817 -0.828 -2.056 205 3HG2 ILE 478 3HG2 ILE 478 -2.229 0.881 -2.153 206 1HD1 ILE 478 1HD1 ILE 478 -3.871 2.122 0.164 207 2HD1 ILE 478 2HD1 ILE 478 -2.511 2.486 -0.899 208 3HD1 ILE 478 3HD1 ILE 478 -2.607 3.229 0.699 209 H ASN 479 H ASN 479 -1.564 -1.626 2.663 210 HA ASN 479 HA ASN 479 -3.641 -3.467 1.754 211 1HB ASN 479 2HB ASN 479 -3.632 -4.400 3.927 212 2HB ASN 479 1HB ASN 479 -1.943 -4.088 3.548 213 1HD2 ASN 479 1HD2 ASN 479 -2.790 -4.455 6.129 214 2HD2 ASN 479 2HD2 ASN 479 -2.649 -2.973 7.000 215 H HIS 480 H HIS 480 -5.795 -3.374 2.631 216 HA HIS 480 HA HIS 480 -6.632 -0.607 3.146 217 1HB HIS 480 2HB HIS 480 -8.079 -2.974 1.971 218 2HB HIS 480 1HB HIS 480 -8.922 -1.515 2.480 219 HD2 HIS 480 2HD HIS 480 -5.532 -1.450 0.509 220 HE1 HIS 480 1HE HIS 480 -8.608 0.221 -1.869 221 HE2 HIS 480 2HE HIS 480 -6.150 -0.394 -1.778 222 H ASN 481 H ASN 481 -6.279 -3.592 4.722 223 HA ASN 481 HA ASN 481 -8.464 -3.712 6.422 224 1HB ASN 481 2HB ASN 481 -5.680 -4.321 7.389 225 2HB ASN 481 1HB ASN 481 -7.189 -5.119 7.813 226 1HD2 ASN 481 1HD2 ASN 481 -4.641 -4.851 5.507 227 2HD2 ASN 481 2HD2 ASN 481 -5.057 -6.234 4.564 228 H ILE 482 H ILE 482 -5.402 -1.972 6.889 229 HA ILE 482 HA ILE 482 -6.788 -0.231 8.815 230 HB ILE 482 HB ILE 482 -4.392 -0.031 9.868 231 1HG1 ILE 482 2HG1 ILE 482 -4.332 -2.855 8.785 232 2HG1 ILE 482 1HG1 ILE 482 -3.344 -1.530 8.177 233 1HG2 ILE 482 1HG2 ILE 482 -5.014 -2.068 11.336 234 2HG2 ILE 482 2HG2 ILE 482 -6.464 -2.132 10.334 235 3HG2 ILE 482 3HG2 ILE 482 -6.106 -0.684 11.274 236 1HD1 ILE 482 1HD1 ILE 482 -3.205 -2.887 10.846 237 2HD1 ILE 482 2HD1 ILE 482 -2.439 -1.328 10.539 238 3HD1 ILE 482 3HD1 ILE 482 -1.954 -2.748 9.612 239 H LYS 483 H LYS 483 -6.188 0.042 5.950 240 HA LYS 483 HA LYS 483 -5.202 1.460 4.441 241 1HB LYS 483 2HB LYS 483 -5.466 3.636 6.470 242 2HB LYS 483 1HB LYS 483 -5.877 3.647 4.762 243 1HG LYS 483 2HG LYS 483 -7.434 2.503 7.053 244 2HG LYS 483 1HG LYS 483 -7.927 3.724 5.879 245 1HD LYS 483 2HD LYS 483 -7.323 1.535 4.310 246 2HD LYS 483 1HD LYS 483 -8.079 0.818 5.733 247 1HE LYS 483 2HE LYS 483 -10.031 2.191 5.456 248 2HE LYS 483 1HE LYS 483 -9.263 3.095 4.152 249 1HZ LYS 483 1HZ LYS 483 -9.800 0.183 4.012 250 2HZ LYS 483 2HZ LYS 483 -9.332 1.206 2.749 251 3HZ LYS 483 3HZ LYS 483 -10.874 1.353 3.429 252 H LYS 484 H LYS 484 -3.089 0.522 4.567 253 HA LYS 484 HA LYS 484 -1.098 2.454 5.424 254 1HB LYS 484 2HB LYS 484 -1.689 0.431 7.157 255 2HB LYS 484 1HB LYS 484 -0.393 -0.294 6.218 256 1HG LYS 484 2HG LYS 484 1.140 0.892 7.290 257 2HG LYS 484 1HG LYS 484 0.281 2.400 6.973 258 1HD LYS 484 2HD LYS 484 -1.302 1.449 8.885 259 2HD LYS 484 1HD LYS 484 0.182 0.611 9.343 260 1HE LYS 484 2HE LYS 484 1.298 2.918 9.156 261 2HE LYS 484 1HE LYS 484 -0.343 3.560 9.187 262 1HZ LYS 484 1HZ LYS 484 -0.576 2.118 11.286 263 2HZ LYS 484 2HZ LYS 484 0.274 3.576 11.398 264 3HZ LYS 484 3HZ LYS 484 1.117 2.114 11.300 265 H THR 485 H THR 485 1.113 1.800 4.670 266 HA THR 485 HA THR 485 1.109 -0.060 2.416 267 HB THR 485 HB THR 485 0.676 1.828 1.133 268 HG1 THR 485 1HG THR 485 2.864 2.516 0.368 269 1HG2 THR 485 1HG2 THR 485 0.635 3.566 2.725 270 2HG2 THR 485 2HG2 THR 485 1.897 4.028 1.582 271 3HG2 THR 485 3HG2 THR 485 2.332 3.335 3.144 272 H GLN 486 H GLN 486 3.322 -0.477 1.597 273 HA GLN 486 HA GLN 486 5.547 0.317 3.250 274 1HB GLN 486 2HB GLN 486 6.092 -2.151 3.725 275 2HB GLN 486 1HB GLN 486 4.855 -1.381 4.711 276 1HG GLN 486 2HG GLN 486 3.136 -2.541 3.697 277 2HG GLN 486 1HG GLN 486 4.084 -2.878 2.250 278 1HE2 GLN 486 1HE2 GLN 486 5.602 -4.537 2.284 279 2HE2 GLN 486 2HE2 GLN 486 5.555 -5.785 3.474 280 H TRP 487 H TRP 487 7.529 -0.076 2.282 281 HA TRP 487 HA TRP 487 7.483 -0.475 -0.541 282 1HB TRP 487 2HB TRP 487 9.552 0.138 1.504 283 2HB TRP 487 1HB TRP 487 10.106 -0.558 -0.015 284 HD1 TRP 487 HD TRP 487 9.349 2.688 1.518 285 HE1 TRP 487 1HE TRP 487 9.186 4.533 -0.269 286 HE3 TRP 487 3HE TRP 487 9.081 -0.248 -2.658 287 HZ2 TRP 487 2HZ TRP 487 8.969 4.720 -3.077 288 HZ3 TRP 487 3HZ TRP 487 8.897 0.842 -4.856 289 HH2 TRP 487 HH TRP 487 8.842 3.275 -5.060 290 H GLU 488 H GLU 488 8.234 -2.477 2.223 291 HA GLU 488 HA GLU 488 9.602 -4.546 0.909 292 1HB GLU 488 2HB GLU 488 8.733 -4.022 3.515 293 2HB GLU 488 1HB GLU 488 7.931 -5.522 3.067 294 1HG GLU 488 2HG GLU 488 10.705 -5.552 2.283 295 2HG GLU 488 1HG GLU 488 10.528 -5.214 4.005 296 H ASP 489 H ASP 489 8.528 -6.885 1.038 297 HA ASP 489 HA ASP 489 6.021 -6.710 -0.496 298 1HB ASP 489 2HB ASP 489 8.319 -8.653 -0.761 299 2HB ASP 489 1HB ASP 489 6.773 -8.850 -1.581 300 HA PRO 490 HA PRO 490 4.711 -9.097 3.146 301 1HB PRO 490 2HB PRO 490 2.064 -8.671 2.823 302 2HB PRO 490 1HB PRO 490 3.137 -7.450 3.517 303 1HG PRO 490 2HG PRO 490 2.088 -7.676 0.721 304 2HG PRO 490 1HG PRO 490 2.213 -6.241 1.752 305 1HD PRO 490 2HD PRO 490 4.016 -6.818 -0.193 306 2HD PRO 490 1HD PRO 490 4.451 -5.955 1.295 307 H ARG 491 H ARG 491 3.479 -9.284 -0.146 308 HA ARG 491 HA ARG 491 2.212 -11.827 0.175 309 1HB ARG 491 2HB ARG 491 2.151 -11.775 -2.345 310 2HB ARG 491 1HB ARG 491 1.379 -10.414 -1.545 311 1HG ARG 491 2HG ARG 491 2.959 -8.922 -2.240 312 2HG ARG 491 1HG ARG 491 4.224 -10.147 -2.354 313 1HD ARG 491 2HD ARG 491 1.851 -10.111 -4.195 314 2HD ARG 491 1HD ARG 491 3.319 -9.197 -4.540 315 HE ARG 491 HE ARG 491 4.169 -11.754 -4.034 316 1HH1 ARG 491 1HH1 ARG 491 1.979 -10.244 -6.285 317 2HH1 ARG 491 2HH1 ARG 491 2.231 -11.427 -7.524 318 1HH2 ARG 491 1HH2 ARG 491 4.502 -13.320 -5.657 319 2HH2 ARG 491 2HH2 ARG 491 3.665 -13.177 -7.167 320 H MET 492 H MET 492 5.422 -10.753 -0.557 321 HA MET 492 HA MET 492 6.257 -13.316 -1.619 322 1HB MET 492 2HB MET 492 7.184 -10.731 -1.908 323 2HB MET 492 1HB MET 492 8.381 -11.464 -0.847 324 1HG MET 492 2HG MET 492 7.563 -12.356 -3.596 325 2HG MET 492 1HG MET 492 9.130 -11.737 -3.079 326 1HE MET 492 1HE MET 492 8.367 -14.504 -4.720 327 2HE MET 492 2HE MET 492 9.564 -15.605 -4.037 328 3HE MET 492 3HE MET 492 10.030 -13.965 -4.487 329 H GLN 493 H GLN 493 6.177 -11.679 1.425 330 HA GLN 493 HA GLN 493 7.686 -13.905 2.631 331 1HB GLN 493 2HB GLN 493 8.967 -11.853 2.823 332 2HB GLN 493 1HB GLN 493 7.579 -11.013 3.504 333 1HG GLN 493 2HG GLN 493 8.537 -11.483 5.464 334 2HG GLN 493 1HG GLN 493 7.832 -13.082 5.233 335 1HE2 GLN 493 1HE2 GLN 493 9.218 -14.646 4.034 336 2HE2 GLN 493 2HE2 GLN 493 10.913 -14.627 4.367 337 H ASN 494 H ASN 494 5.460 -14.860 2.619 338 HA ASN 494 HA ASN 494 3.509 -13.766 4.416 339 1HB ASN 494 2HB ASN 494 3.733 -16.287 2.808 340 2HB ASN 494 1HB ASN 494 2.507 -16.159 4.066 341 1HD2 ASN 494 1HD2 ASN 494 3.020 -15.801 0.877 342 2HD2 ASN 494 2HD2 ASN 494 1.792 -14.647 0.497 343 H VAL 495 H VAL 495 4.813 -17.064 4.524 344 HA VAL 495 HA VAL 495 5.207 -18.441 6.311 345 HB VAL 495 HB VAL 495 7.330 -17.172 6.109 346 1HG1 VAL 495 1HG1 VAL 495 6.054 -15.430 8.210 347 2HG1 VAL 495 2HG1 VAL 495 6.643 -14.948 6.617 348 3HG1 VAL 495 3HG1 VAL 495 7.784 -15.443 7.867 349 1HG2 VAL 495 1HG2 VAL 495 7.677 -17.456 8.837 350 2HG2 VAL 495 2HG2 VAL 495 7.881 -18.717 7.621 351 3HG2 VAL 495 3HG2 VAL 495 6.343 -18.550 8.468 352 H ALA 496 H ALA 496 2.737 -17.079 6.559 353 HA ALA 496 HA ALA 496 1.072 -17.064 8.143 354 1HB ALA 496 1HB ALA 496 2.879 -18.492 9.490 355 2HB ALA 496 2HB ALA 496 1.383 -17.915 10.225 356 3HB ALA 496 3HB ALA 496 2.890 -17.034 10.482 357 H ILE 497 H ILE 497 0.397 -15.608 10.080 358 HA ILE 497 HA ILE 497 0.090 -13.515 10.927 359 HB ILE 497 HB ILE 497 2.916 -12.983 10.004 360 1HG1 ILE 497 2HG1 ILE 497 2.276 -13.462 12.861 361 2HG1 ILE 497 1HG1 ILE 497 2.222 -14.869 11.802 362 1HG2 ILE 497 1HG2 ILE 497 2.594 -11.367 12.099 363 2HG2 ILE 497 2HG2 ILE 497 0.925 -11.416 11.531 364 3HG2 ILE 497 3HG2 ILE 497 2.210 -10.877 10.449 365 1HD1 ILE 497 1HD1 ILE 497 4.567 -13.056 12.312 366 2HD1 ILE 497 2HD1 ILE 497 4.532 -14.287 11.048 367 3HD1 ILE 497 3HD1 ILE 497 4.399 -14.760 12.742 368 H THR 498 H THR 498 2.221 -12.893 8.137 369 HA THR 498 HA THR 498 0.352 -10.881 7.175 370 HB THR 498 HB THR 498 2.333 -10.957 5.294 371 HG1 THR 498 1HG THR 498 4.265 -11.353 6.339 372 1HG2 THR 498 1HG2 THR 498 3.380 -9.232 7.134 373 2HG2 THR 498 2HG2 THR 498 1.706 -9.359 7.672 374 3HG2 THR 498 3HG2 THR 498 2.066 -8.846 6.024 375 H GLY 499 H GLY 499 -1.286 -11.526 5.940 376 1HA GLY 499 2HA GLY 499 -1.449 -12.350 3.483 377 2HA GLY 499 1HA GLY 499 -0.925 -13.866 4.201 378 1H GLY 605 1HT GLY 605 8.220 -6.389 8.150 379 2H GLY 605 2HT GLY 605 7.922 -7.484 9.404 380 3H GLY 605 3HT GLY 605 7.202 -7.716 7.891 381 1HA GLY 605 1HA GLY 605 8.879 -9.155 7.573 382 2HA GLY 605 2HA GLY 605 9.744 -7.685 7.150 383 H SER 606 H SER 606 11.196 -9.800 7.968 384 HA SER 606 HA SER 606 11.804 -9.346 10.802 385 1HB SER 606 2HB SER 606 12.523 -11.573 8.895 386 2HB SER 606 1HB SER 606 13.271 -11.409 10.483 387 HG SER 606 HG SER 606 11.098 -11.465 11.346 388 H THR 607 H THR 607 13.191 -9.191 7.579 389 HA THR 607 HA THR 607 15.795 -8.401 8.579 390 HB THR 607 HB THR 607 15.211 -8.026 5.709 391 HG1 THR 607 1HG THR 607 14.465 -9.972 5.381 392 1HG2 THR 607 1HG2 THR 607 17.401 -9.022 7.450 393 2HG2 THR 607 2HG2 THR 607 17.460 -7.915 6.079 394 3HG2 THR 607 3HG2 THR 607 17.322 -9.651 5.805 395 H LEU 608 H LEU 608 13.205 -6.916 6.637 396 HA LEU 608 HA LEU 608 14.380 -4.282 7.218 397 1HB LEU 608 2HB LEU 608 14.070 -4.928 4.828 398 2HB LEU 608 1HB LEU 608 12.342 -5.003 5.113 399 HG LEU 608 HG LEU 608 13.070 -2.467 6.004 400 1HD1 LEU 608 1HD1 LEU 608 15.168 -3.262 4.452 401 2HD1 LEU 608 2HD1 LEU 608 14.678 -1.589 4.721 402 3HD1 LEU 608 3HD1 LEU 608 14.132 -2.448 3.280 403 1HD2 LEU 608 1HD2 LEU 608 11.635 -3.635 3.687 404 2HD2 LEU 608 2HD2 LEU 608 12.040 -1.921 3.617 405 3HD2 LEU 608 3HD2 LEU 608 11.059 -2.542 4.944 406 HA PRO 609 HA PRO 609 10.538 -4.463 9.807 407 1HB PRO 609 2HB PRO 609 11.624 -3.451 12.055 408 2HB PRO 609 1HB PRO 609 11.763 -5.162 11.634 409 1HG PRO 609 2HG PRO 609 13.757 -2.956 11.273 410 2HG PRO 609 1HG PRO 609 14.012 -4.606 11.871 411 1HD PRO 609 2HD PRO 609 14.561 -3.851 9.313 412 2HD PRO 609 1HD PRO 609 14.067 -5.498 9.751 413 H ILE 610 H ILE 610 12.964 -1.940 9.361 414 HA ILE 610 HA ILE 610 10.800 0.039 9.223 415 HB ILE 610 HB ILE 610 13.405 0.573 10.650 416 1HG1 ILE 610 2HG1 ILE 610 10.660 0.137 11.847 417 2HG1 ILE 610 1HG1 ILE 610 11.969 -1.041 11.883 418 1HG2 ILE 610 1HG2 ILE 610 10.948 2.246 10.884 419 2HG2 ILE 610 2HG2 ILE 610 11.978 2.414 9.462 420 3HG2 ILE 610 3HG2 ILE 610 12.642 2.699 11.070 421 1HD1 ILE 610 1HD1 ILE 610 12.378 -0.139 13.890 422 2HD1 ILE 610 2HD1 ILE 610 11.546 1.367 13.499 423 3HD1 ILE 610 3HD1 ILE 610 13.203 1.107 12.953 424 HA PRO 611 HA PRO 611 13.375 0.494 5.474 425 1HB PRO 611 2HB PRO 611 11.420 1.668 3.996 426 2HB PRO 611 1HB PRO 611 11.552 -0.083 4.201 427 1HG PRO 611 2HG PRO 611 9.778 1.862 5.627 428 2HG PRO 611 1HG PRO 611 9.388 0.257 4.983 429 1HD PRO 611 2HD PRO 611 9.879 0.684 7.607 430 2HD PRO 611 1HD PRO 611 10.312 -0.833 6.794 431 H GLY 612 H GLY 612 11.197 2.914 6.892 432 1HA GLY 612 2HA GLY 612 12.617 4.919 7.664 433 2HA GLY 612 1HA GLY 612 13.014 5.033 5.957 434 H THR 613 H THR 613 11.311 5.526 4.454 435 HA THR 613 HA THR 613 8.984 6.827 5.710 436 HB THR 613 HB THR 613 9.100 8.434 3.709 437 HG1 THR 613 1HG THR 613 11.410 8.693 3.070 438 1HG2 THR 613 1HG2 THR 613 9.982 9.948 5.121 439 2HG2 THR 613 2HG2 THR 613 11.472 9.029 5.328 440 3HG2 THR 613 3HG2 THR 613 10.041 8.608 6.267 441 HA PRO 614 HA PRO 614 7.192 3.616 2.980 442 1HB PRO 614 2HB PRO 614 4.777 4.666 4.364 443 2HB PRO 614 1HB PRO 614 5.293 2.995 4.113 444 1HG PRO 614 2HG PRO 614 5.525 4.147 6.504 445 2HG PRO 614 1HG PRO 614 6.776 3.046 5.895 446 1HD PRO 614 2HD PRO 614 6.792 6.029 6.060 447 2HD PRO 614 1HD PRO 614 8.116 4.876 6.319 448 HA PRO 615 HA PRO 615 5.809 6.054 -0.426 449 1HB PRO 615 2HB PRO 615 3.561 4.107 -0.636 450 2HB PRO 615 1HB PRO 615 4.714 4.632 -1.868 451 1HG PRO 615 2HG PRO 615 4.951 2.240 -0.722 452 2HG PRO 615 1HG PRO 615 6.384 3.217 -1.096 453 1HD PRO 615 2HD PRO 615 5.052 2.725 1.530 454 2HD PRO 615 1HD PRO 615 6.778 2.909 1.155 455 HA PRO 616 HA PRO 616 2.367 8.701 0.383 456 1HB PRO 616 2HB PRO 616 0.684 7.511 -1.760 457 2HB PRO 616 1HB PRO 616 1.167 9.193 -1.508 458 1HG PRO 616 2HG PRO 616 2.286 7.723 -3.429 459 2HG PRO 616 1HG PRO 616 3.244 8.882 -2.487 460 1HD PRO 616 2HD PRO 616 3.126 5.904 -2.276 461 2HD PRO 616 1HD PRO 616 4.514 6.995 -2.091 462 H ASN 617 H ASN 617 1.170 8.448 2.151 463 HA ASN 617 HA ASN 617 0.017 6.052 3.009 464 1HB ASN 617 2HB ASN 617 0.567 8.141 4.385 465 2HB ASN 617 1HB ASN 617 -0.980 8.776 3.832 466 1HD2 ASN 617 1HD2 ASN 617 0.210 5.654 5.038 467 2HD2 ASN 617 2HD2 ASN 617 -1.032 5.446 6.220 468 H TYR 618 H TYR 618 -2.187 5.411 3.184 469 HA TYR 618 HA TYR 618 -3.667 5.683 0.820 470 1HB TYR 618 2HB TYR 618 -3.914 3.736 2.259 471 2HB TYR 618 1HB TYR 618 -4.552 4.742 3.556 472 HD1 TYR 618 1HD TYR 618 -6.851 5.116 3.729 473 HD2 TYR 618 2HD TYR 618 -5.255 3.641 0.072 474 HE1 TYR 618 1HE TYR 618 -9.132 4.767 2.881 475 HE2 TYR 618 2HE TYR 618 -7.532 3.289 -0.787 476 HH TYR 618 HH TYR 618 -9.922 2.868 0.453 477 H ASP 619 H ASP 619 -3.805 7.406 3.872 478 HA ASP 619 HA ASP 619 -6.267 8.724 3.454 479 1HB ASP 619 2HB ASP 619 -3.889 9.700 5.052 480 2HB ASP 619 1HB ASP 619 -5.557 10.241 5.222 481 H SER 620 H SER 620 -3.040 9.288 2.308 482 HA SER 620 HA SER 620 -3.657 11.954 1.332 483 1HB SER 620 2HB SER 620 -1.347 10.918 2.228 484 2HB SER 620 1HB SER 620 -1.152 10.582 0.509 485 HG SER 620 HG SER 620 -0.697 12.844 1.716 486 H LEU 621 H LEU 621 -3.894 8.740 0.210 487 HA LEU 621 HA LEU 621 -3.468 9.223 -2.566 488 1HB LEU 621 2HB LEU 621 -4.501 7.001 -0.898 489 2HB LEU 621 1HB LEU 621 -5.021 7.027 -2.571 490 HG LEU 621 HG LEU 621 -2.138 7.030 -1.671 491 1HD1 LEU 621 1HD1 LEU 621 -2.094 4.718 -2.444 492 2HD1 LEU 621 2HD1 LEU 621 -3.823 4.791 -2.781 493 3HD1 LEU 621 3HD1 LEU 621 -3.242 4.927 -1.122 494 1HD2 LEU 621 1HD2 LEU 621 -2.209 8.056 -3.777 495 2HD2 LEU 621 2HD2 LEU 621 -3.469 6.970 -4.362 496 3HD2 LEU 621 3HD2 LEU 621 -1.830 6.368 -4.115 Start of MODEL 8 1 1H GLY 450 1HT GLY 450 -7.123 -26.597 -2.805 2 2H GLY 450 2HT GLY 450 -6.274 -26.334 -1.367 3 3H GLY 450 3HT GLY 450 -5.903 -27.671 -2.334 4 1HA GLY 450 1HA GLY 450 -4.969 -26.349 -4.026 5 2HA GLY 450 2HA GLY 450 -5.615 -24.887 -3.296 6 H SER 451 H SER 451 -4.243 -27.350 -1.276 7 HA SER 451 HA SER 451 -1.575 -26.378 -1.262 8 1HB SER 451 2HB SER 451 -2.842 -24.490 -0.129 9 2HB SER 451 1HB SER 451 -3.183 -25.619 1.181 10 HG SER 451 HG SER 451 -1.113 -24.141 1.040 11 HA PRO 452 HA PRO 452 -2.217 -30.690 0.320 12 1HB PRO 452 2HB PRO 452 0.579 -30.768 -0.698 13 2HB PRO 452 1HB PRO 452 -0.734 -31.929 -0.923 14 1HG PRO 452 2HG PRO 452 -0.007 -30.311 -2.906 15 2HG PRO 452 1HG PRO 452 -1.718 -30.687 -2.622 16 1HD PRO 452 2HD PRO 452 -0.182 -28.211 -1.953 17 2HD PRO 452 1HD PRO 452 -1.851 -28.381 -2.534 18 H VAL 453 H VAL 453 0.285 -28.292 0.812 19 HA VAL 453 HA VAL 453 0.473 -28.989 3.601 20 HB VAL 453 HB VAL 453 2.951 -29.211 1.880 21 1HG1 VAL 453 1HG1 VAL 453 3.014 -28.279 4.344 22 2HG1 VAL 453 2HG1 VAL 453 4.224 -29.426 3.772 23 3HG1 VAL 453 3HG1 VAL 453 2.873 -29.989 4.754 24 1HG2 VAL 453 1HG2 VAL 453 1.638 -31.179 1.577 25 2HG2 VAL 453 2HG2 VAL 453 1.322 -31.303 3.307 26 3HG2 VAL 453 3HG2 VAL 453 2.949 -31.580 2.686 27 H ASP 454 H ASP 454 2.122 -27.193 0.996 28 HA ASP 454 HA ASP 454 1.488 -24.662 2.061 29 1HB ASP 454 2HB ASP 454 3.143 -25.391 3.783 30 2HB ASP 454 1HB ASP 454 4.360 -25.499 2.513 31 H SER 455 H SER 455 0.991 -25.028 -0.330 32 HA SER 455 HA SER 455 3.163 -24.874 -2.185 33 1HB SER 455 2HB SER 455 0.487 -25.518 -2.378 34 2HB SER 455 1HB SER 455 0.565 -23.946 -3.172 35 HG SER 455 HG SER 455 2.358 -26.052 -3.772 36 H ASN 456 H ASN 456 1.028 -22.571 -0.623 37 HA ASN 456 HA ASN 456 1.026 -20.301 -0.509 38 1HB ASN 456 2HB ASN 456 3.831 -21.085 -0.739 39 2HB ASN 456 1HB ASN 456 3.530 -19.448 -1.315 40 1HD2 ASN 456 1HD2 ASN 456 1.666 -18.470 0.296 41 2HD2 ASN 456 2HD2 ASN 456 2.195 -18.456 1.940 42 H ASP 457 H ASP 457 -0.392 -19.745 -2.104 43 HA ASP 457 HA ASP 457 0.796 -18.663 -4.540 44 1HB ASP 457 2HB ASP 457 -0.288 -21.115 -4.725 45 2HB ASP 457 1HB ASP 457 -1.746 -20.150 -4.933 46 H LEU 458 H LEU 458 0.277 -16.816 -3.016 47 HA LEU 458 HA LEU 458 -2.391 -16.071 -2.492 48 1HB LEU 458 2HB LEU 458 0.070 -14.341 -2.744 49 2HB LEU 458 1HB LEU 458 -1.458 -13.828 -2.055 50 HG LEU 458 HG LEU 458 0.362 -15.963 -0.943 51 1HD1 LEU 458 1HD1 LEU 458 -0.125 -13.093 -0.297 52 2HD1 LEU 458 2HD1 LEU 458 1.389 -13.995 -0.353 53 3HD1 LEU 458 3HD1 LEU 458 0.280 -14.218 1.000 54 1HD2 LEU 458 1HD2 LEU 458 -2.445 -15.283 -0.431 55 2HD2 LEU 458 2HD2 LEU 458 -1.433 -15.384 1.010 56 3HD2 LEU 458 3HD2 LEU 458 -1.550 -16.763 -0.084 57 H GLY 459 H GLY 459 -0.328 -15.660 -5.275 58 1HA GLY 459 2HA GLY 459 -0.877 -15.026 -7.423 59 2HA GLY 459 1HA GLY 459 -2.553 -14.911 -6.907 60 HA PRO 460 HA PRO 460 -1.560 -10.566 -7.798 61 1HB PRO 460 2HB PRO 460 -4.151 -9.713 -7.702 62 2HB PRO 460 1HB PRO 460 -3.422 -10.452 -9.132 63 1HG PRO 460 2HG PRO 460 -5.158 -11.698 -7.033 64 2HG PRO 460 1HG PRO 460 -5.219 -11.893 -8.795 65 1HD PRO 460 2HD PRO 460 -4.082 -13.739 -7.204 66 2HD PRO 460 1HD PRO 460 -3.440 -13.375 -8.819 67 H LEU 461 H LEU 461 -0.583 -10.723 -5.592 68 HA LEU 461 HA LEU 461 -0.313 -9.928 -3.484 69 1HB LEU 461 2HB LEU 461 -2.550 -8.029 -4.172 70 2HB LEU 461 1HB LEU 461 -1.289 -7.796 -2.976 71 HG LEU 461 HG LEU 461 0.363 -7.882 -4.928 72 1HD1 LEU 461 1HD1 LEU 461 -0.768 -8.721 -6.735 73 2HD1 LEU 461 2HD1 LEU 461 -0.829 -6.987 -7.053 74 3HD1 LEU 461 3HD1 LEU 461 -2.237 -7.810 -6.382 75 1HD2 LEU 461 1HD2 LEU 461 0.417 -5.697 -4.552 76 2HD2 LEU 461 2HD2 LEU 461 -1.191 -5.786 -3.832 77 3HD2 LEU 461 3HD2 LEU 461 -1.015 -5.475 -5.558 78 HA PRO 462 HA PRO 462 -3.161 -11.865 -0.745 79 1HB PRO 462 2HB PRO 462 -2.690 -9.804 1.294 80 2HB PRO 462 1HB PRO 462 -2.262 -11.515 1.313 81 1HG PRO 462 2HG PRO 462 -0.402 -9.588 1.071 82 2HG PRO 462 1HG PRO 462 -0.237 -11.159 0.265 83 1HD PRO 462 2HD PRO 462 -1.115 -8.528 -0.868 84 2HD PRO 462 1HD PRO 462 -0.039 -9.754 -1.572 85 HA PRO 463 HA PRO 463 -7.084 -9.856 -0.505 86 1HB PRO 463 2HB PRO 463 -8.005 -10.335 2.007 87 2HB PRO 463 1HB PRO 463 -7.906 -11.585 0.763 88 1HG PRO 463 2HG PRO 463 -6.026 -11.004 3.019 89 2HG PRO 463 1HG PRO 463 -6.618 -12.569 2.429 90 1HD PRO 463 2HD PRO 463 -4.174 -11.606 1.790 91 2HD PRO 463 1HD PRO 463 -5.116 -12.621 0.681 92 H GLY 464 H GLY 464 -7.697 -7.785 -0.345 93 1HA GLY 464 2HA GLY 464 -8.079 -5.714 0.654 94 2HA GLY 464 1HA GLY 464 -7.175 -6.254 2.060 95 H TRP 465 H TRP 465 -5.127 -7.054 -0.269 96 HA TRP 465 HA TRP 465 -3.621 -4.575 0.004 97 1HB TRP 465 2HB TRP 465 -2.941 -7.380 -0.824 98 2HB TRP 465 1HB TRP 465 -1.848 -6.054 -1.197 99 HD1 TRP 465 HD TRP 465 -3.253 -8.003 1.784 100 HE1 TRP 465 1HE TRP 465 -1.737 -7.555 3.816 101 HE3 TRP 465 3HE TRP 465 -0.264 -4.378 -0.220 102 HZ2 TRP 465 2HZ TRP 465 0.434 -5.885 4.470 103 HZ3 TRP 465 3HZ TRP 465 1.511 -3.404 1.177 104 HH2 TRP 465 HH TRP 465 1.851 -4.143 3.480 105 H GLU 466 H GLU 466 -2.387 -3.791 -1.895 106 HA GLU 466 HA GLU 466 -3.601 -4.286 -4.488 107 1HB GLU 466 2HB GLU 466 -4.272 -2.006 -2.858 108 2HB GLU 466 1HB GLU 466 -3.457 -1.476 -4.322 109 1HG GLU 466 2HG GLU 466 -5.459 -1.577 -5.278 110 2HG GLU 466 1HG GLU 466 -5.238 -3.326 -5.272 111 H GLU 467 H GLU 467 -2.502 -2.564 -6.087 112 HA GLU 467 HA GLU 467 0.347 -2.365 -5.397 113 1HB GLU 467 2HB GLU 467 0.970 -3.156 -7.612 114 2HB GLU 467 1HB GLU 467 0.002 -4.368 -6.787 115 1HG GLU 467 2HG GLU 467 -1.981 -3.287 -8.056 116 2HG GLU 467 1HG GLU 467 -0.722 -2.628 -9.100 117 H ARG 468 H ARG 468 0.548 -0.211 -5.244 118 HA ARG 468 HA ARG 468 -0.530 1.447 -7.419 119 1HB ARG 468 2HB ARG 468 -0.036 1.932 -4.519 120 2HB ARG 468 1HB ARG 468 0.109 3.294 -5.622 121 1HG ARG 468 2HG ARG 468 -2.311 1.724 -6.038 122 2HG ARG 468 1HG ARG 468 -2.196 2.435 -4.426 123 1HD ARG 468 2HD ARG 468 -3.323 3.834 -6.227 124 2HD ARG 468 1HD ARG 468 -2.059 4.617 -5.279 125 HE ARG 468 HE ARG 468 -0.908 3.509 -7.585 126 1HH1 ARG 468 1HH1 ARG 468 -3.078 6.065 -6.645 127 2HH1 ARG 468 2HH1 ARG 468 -2.665 7.084 -7.984 128 1HH2 ARG 468 1HH2 ARG 468 -0.354 4.843 -9.349 129 2HH2 ARG 468 2HH2 ARG 468 -1.116 6.389 -9.522 130 H THR 469 H THR 469 0.789 2.831 -8.548 131 HA THR 469 HA THR 469 3.600 2.177 -8.533 132 HB THR 469 HB THR 469 3.622 3.990 -10.390 133 HG1 THR 469 1HG THR 469 1.614 4.476 -11.240 134 1HG2 THR 469 1HG2 THR 469 3.854 1.993 -11.400 135 2HG2 THR 469 2HG2 THR 469 2.147 2.178 -11.801 136 3HG2 THR 469 3HG2 THR 469 2.624 1.232 -10.391 137 H HIS 470 H HIS 470 5.173 3.269 -7.566 138 HA HIS 470 HA HIS 470 4.570 5.610 -6.009 139 1HB HIS 470 2HB HIS 470 6.173 3.720 -5.368 140 2HB HIS 470 1HB HIS 470 7.315 4.454 -6.490 141 HD2 HIS 470 2HD HIS 470 8.789 6.465 -5.469 142 HE1 HIS 470 1HE HIS 470 6.558 6.970 -1.907 143 HE2 HIS 470 2HE HIS 470 8.552 7.784 -3.248 144 H THR 471 H THR 471 5.922 7.578 -6.120 145 HA THR 471 HA THR 471 5.765 8.818 -8.606 146 HB THR 471 HB THR 471 7.811 9.823 -6.694 147 HG1 THR 471 1HG THR 471 6.451 9.997 -5.074 148 1HG2 THR 471 1HG2 THR 471 6.818 10.956 -8.826 149 2HG2 THR 471 2HG2 THR 471 7.074 11.912 -7.366 150 3HG2 THR 471 3HG2 THR 471 5.459 11.328 -7.765 151 H ASP 472 H ASP 472 8.229 6.778 -7.316 152 HA ASP 472 HA ASP 472 10.241 7.678 -9.210 153 1HB ASP 472 2HB ASP 472 10.184 5.836 -6.876 154 2HB ASP 472 1HB ASP 472 11.390 5.525 -8.120 155 H GLY 473 H GLY 473 7.683 5.445 -9.173 156 1HA GLY 473 2HA GLY 473 7.106 4.398 -11.280 157 2HA GLY 473 1HA GLY 473 8.820 4.126 -11.551 158 H ARG 474 H ARG 474 8.933 3.370 -8.558 159 HA ARG 474 HA ARG 474 8.588 0.551 -9.000 160 1HB ARG 474 2HB ARG 474 9.308 2.018 -6.454 161 2HB ARG 474 1HB ARG 474 9.482 0.292 -6.741 162 1HG ARG 474 2HG ARG 474 11.274 0.581 -8.184 163 2HG ARG 474 1HG ARG 474 10.874 2.270 -8.500 164 1HD ARG 474 2HD ARG 474 11.351 2.596 -5.973 165 2HD ARG 474 1HD ARG 474 12.194 1.053 -6.105 166 HE ARG 474 HE ARG 474 12.979 2.989 -8.084 167 1HH1 ARG 474 1HH1 ARG 474 13.532 1.784 -4.864 168 2HH1 ARG 474 2HH1 ARG 474 15.157 2.379 -4.782 169 1HH2 ARG 474 1HH2 ARG 474 15.119 3.774 -7.987 170 2HH2 ARG 474 2HH2 ARG 474 16.059 3.510 -6.557 171 H VAL 475 H VAL 475 6.764 -0.538 -8.697 172 HA VAL 475 HA VAL 475 4.495 0.708 -7.451 173 HB VAL 475 HB VAL 475 4.289 -0.756 -9.436 174 1HG1 VAL 475 1HG1 VAL 475 6.027 -2.397 -8.540 175 2HG1 VAL 475 2HG1 VAL 475 4.637 -3.083 -9.374 176 3HG1 VAL 475 3HG1 VAL 475 4.718 -3.119 -7.609 177 1HG2 VAL 475 1HG2 VAL 475 2.289 -2.042 -8.540 178 2HG2 VAL 475 2HG2 VAL 475 2.314 -0.315 -8.199 179 3HG2 VAL 475 3HG2 VAL 475 2.746 -1.461 -6.934 180 H PHE 476 H PHE 476 4.298 0.802 -5.323 181 HA PHE 476 HA PHE 476 5.495 -1.231 -3.623 182 1HB PHE 476 2HB PHE 476 4.875 0.245 -1.769 183 2HB PHE 476 1HB PHE 476 5.745 1.135 -3.013 184 HD1 PHE 476 1HD PHE 476 4.630 2.807 -4.359 185 HD2 PHE 476 2HD PHE 476 2.530 0.639 -1.359 186 HE1 PHE 476 1HE PHE 476 2.790 4.438 -4.474 187 HE2 PHE 476 2HE PHE 476 0.686 2.266 -1.468 188 HZ PHE 476 HZ PHE 476 0.815 4.167 -3.028 189 H PHE 477 H PHE 477 4.056 -1.748 -1.589 190 HA PHE 477 HA PHE 477 1.511 -2.796 -2.627 191 1HB PHE 477 2HB PHE 477 3.177 -3.735 -0.281 192 2HB PHE 477 1HB PHE 477 1.667 -4.465 -0.815 193 HD1 PHE 477 1HD PHE 477 4.938 -3.454 -2.309 194 HD2 PHE 477 2HD PHE 477 1.854 -6.376 -2.054 195 HE1 PHE 477 1HE PHE 477 6.189 -4.904 -3.854 196 HE2 PHE 477 2HE PHE 477 3.100 -7.831 -3.599 197 HZ PHE 477 HZ PHE 477 5.271 -7.096 -4.501 198 H ILE 478 H ILE 478 -0.390 -2.639 -1.346 199 HA ILE 478 HA ILE 478 -0.269 -1.002 1.061 200 HB ILE 478 HB ILE 478 -0.501 0.609 -0.811 201 1HG1 ILE 478 2HG1 ILE 478 -2.827 0.317 1.091 202 2HG1 ILE 478 1HG1 ILE 478 -1.404 1.332 1.277 203 1HG2 ILE 478 1HG2 ILE 478 -1.832 -1.058 -2.209 204 2HG2 ILE 478 2HG2 ILE 478 -2.303 0.639 -2.287 205 3HG2 ILE 478 3HG2 ILE 478 -3.235 -0.490 -1.305 206 1HD1 ILE 478 1HD1 ILE 478 -3.869 1.789 -0.314 207 2HD1 ILE 478 2HD1 ILE 478 -2.355 2.454 -0.929 208 3HD1 ILE 478 3HD1 ILE 478 -2.933 2.912 0.675 209 H ASN 479 H ASN 479 -1.634 -1.762 2.545 210 HA ASN 479 HA ASN 479 -3.693 -3.652 1.693 211 1HB ASN 479 2HB ASN 479 -3.660 -4.538 3.878 212 2HB ASN 479 1HB ASN 479 -1.977 -4.200 3.501 213 1HD2 ASN 479 1HD2 ASN 479 -2.783 -4.536 6.078 214 2HD2 ASN 479 2HD2 ASN 479 -2.701 -3.034 6.924 215 H HIS 480 H HIS 480 -5.841 -3.552 2.538 216 HA HIS 480 HA HIS 480 -6.727 -0.788 2.952 217 1HB HIS 480 2HB HIS 480 -7.979 -3.228 1.776 218 2HB HIS 480 1HB HIS 480 -9.032 -2.020 2.506 219 HD2 HIS 480 2HD HIS 480 -5.987 -1.610 0.008 220 HE1 HIS 480 1HE HIS 480 -9.356 0.540 -1.386 221 HE2 HIS 480 2HE HIS 480 -6.986 -0.188 -1.919 222 H ASN 481 H ASN 481 -6.418 -3.785 4.595 223 HA ASN 481 HA ASN 481 -8.491 -3.831 6.391 224 1HB ASN 481 2HB ASN 481 -5.674 -4.355 7.312 225 2HB ASN 481 1HB ASN 481 -7.159 -5.160 7.805 226 1HD2 ASN 481 1HD2 ASN 481 -4.629 -4.990 5.488 227 2HD2 ASN 481 2HD2 ASN 481 -5.056 -6.400 4.589 228 H ILE 482 H ILE 482 -5.413 -2.089 6.809 229 HA ILE 482 HA ILE 482 -6.793 -0.310 8.710 230 HB ILE 482 HB ILE 482 -4.408 -0.038 9.713 231 1HG1 ILE 482 2HG1 ILE 482 -4.218 -2.755 8.396 232 2HG1 ILE 482 1HG1 ILE 482 -3.202 -1.354 8.066 233 1HG2 ILE 482 1HG2 ILE 482 -5.166 -2.588 10.712 234 2HG2 ILE 482 2HG2 ILE 482 -6.629 -1.686 10.318 235 3HG2 ILE 482 3HG2 ILE 482 -5.440 -0.997 11.423 236 1HD1 ILE 482 1HD1 ILE 482 -2.903 -3.399 10.050 237 2HD1 ILE 482 2HD1 ILE 482 -2.983 -1.809 10.811 238 3HD1 ILE 482 3HD1 ILE 482 -1.777 -2.132 9.565 239 H LYS 483 H LYS 483 -6.253 -0.093 5.805 240 HA LYS 483 HA LYS 483 -5.350 1.332 4.254 241 1HB LYS 483 2HB LYS 483 -5.949 3.281 6.484 242 2HB LYS 483 1HB LYS 483 -5.745 3.697 4.788 243 1HG LYS 483 2HG LYS 483 -8.047 3.649 5.080 244 2HG LYS 483 1HG LYS 483 -7.685 2.081 4.357 245 1HD LYS 483 2HD LYS 483 -8.110 0.934 6.303 246 2HD LYS 483 1HD LYS 483 -7.717 2.316 7.327 247 1HE LYS 483 2HE LYS 483 -9.872 2.822 7.476 248 2HE LYS 483 1HE LYS 483 -9.944 3.031 5.726 249 1HZ LYS 483 1HZ LYS 483 -10.274 0.434 7.128 250 2HZ LYS 483 2HZ LYS 483 -10.457 0.713 5.470 251 3HZ LYS 483 3HZ LYS 483 -11.549 1.393 6.566 252 H LYS 484 H LYS 484 -3.195 0.415 4.436 253 HA LYS 484 HA LYS 484 -1.261 2.460 5.149 254 1HB LYS 484 2HB LYS 484 -1.766 0.463 6.980 255 2HB LYS 484 1HB LYS 484 -0.387 -0.171 6.092 256 1HG LYS 484 2HG LYS 484 0.969 1.122 7.265 257 2HG LYS 484 1HG LYS 484 0.131 2.556 6.669 258 1HD LYS 484 2HD LYS 484 -0.082 2.756 8.972 259 2HD LYS 484 1HD LYS 484 -1.611 2.008 8.503 260 1HE LYS 484 2HE LYS 484 -1.164 0.449 10.033 261 2HE LYS 484 1HE LYS 484 0.062 -0.147 8.915 262 1HZ LYS 484 1HZ LYS 484 0.549 0.656 11.432 263 2HZ LYS 484 2HZ LYS 484 0.919 2.061 10.566 264 3HZ LYS 484 3HZ LYS 484 1.710 0.611 10.201 265 H THR 485 H THR 485 0.966 1.831 4.415 266 HA THR 485 HA THR 485 0.994 -0.149 2.265 267 HB THR 485 HB THR 485 0.495 1.667 0.901 268 HG1 THR 485 1HG THR 485 3.291 2.053 0.973 269 1HG2 THR 485 1HG2 THR 485 1.743 3.897 1.226 270 2HG2 THR 485 2HG2 THR 485 2.126 3.286 2.836 271 3HG2 THR 485 3HG2 THR 485 0.444 3.502 2.352 272 H GLN 486 H GLN 486 3.279 -0.364 1.354 273 HA GLN 486 HA GLN 486 5.428 0.468 3.089 274 1HB GLN 486 2HB GLN 486 6.113 -1.964 3.469 275 2HB GLN 486 1HB GLN 486 4.770 -1.354 4.428 276 1HG GLN 486 2HG GLN 486 3.198 -2.568 3.244 277 2HG GLN 486 1HG GLN 486 4.255 -2.760 1.848 278 1HE2 GLN 486 1HE2 GLN 486 5.270 -4.612 1.624 279 2HE2 GLN 486 2HE2 GLN 486 5.483 -5.804 2.853 280 H TRP 487 H TRP 487 7.501 0.023 2.226 281 HA TRP 487 HA TRP 487 7.578 -0.060 -0.625 282 1HB TRP 487 2HB TRP 487 9.498 0.369 1.574 283 2HB TRP 487 1HB TRP 487 10.182 -0.338 0.114 284 HD1 TRP 487 HD TRP 487 9.994 2.871 1.546 285 HE1 TRP 487 1HE TRP 487 9.882 4.759 -0.200 286 HE3 TRP 487 3HE TRP 487 8.649 0.115 -2.544 287 HZ2 TRP 487 2HZ TRP 487 9.301 5.042 -2.947 288 HZ3 TRP 487 3HZ TRP 487 8.335 1.270 -4.694 289 HH2 TRP 487 HH TRP 487 8.654 3.683 -4.889 290 H GLU 488 H GLU 488 8.635 -2.270 1.941 291 HA GLU 488 HA GLU 488 9.733 -4.242 0.272 292 1HB GLU 488 2HB GLU 488 9.548 -3.864 2.978 293 2HB GLU 488 1HB GLU 488 8.466 -5.228 2.732 294 1HG GLU 488 2HG GLU 488 10.242 -6.543 2.770 295 2HG GLU 488 1HG GLU 488 10.726 -5.834 1.230 296 H ASP 489 H ASP 489 8.714 -6.612 0.553 297 HA ASP 489 HA ASP 489 6.022 -6.427 -0.616 298 1HB ASP 489 2HB ASP 489 7.835 -8.811 -0.892 299 2HB ASP 489 1HB ASP 489 6.496 -8.321 -1.925 300 HA PRO 490 HA PRO 490 4.834 -8.596 3.130 301 1HB PRO 490 2HB PRO 490 2.171 -8.484 2.777 302 2HB PRO 490 1HB PRO 490 3.114 -7.062 3.240 303 1HG PRO 490 2HG PRO 490 2.019 -7.826 0.572 304 2HG PRO 490 1HG PRO 490 2.125 -6.229 1.327 305 1HD PRO 490 2HD PRO 490 3.881 -7.192 -0.577 306 2HD PRO 490 1HD PRO 490 4.246 -5.888 0.569 307 H ARG 491 H ARG 491 3.426 -9.384 -0.034 308 HA ARG 491 HA ARG 491 2.620 -12.014 0.751 309 1HB ARG 491 2HB ARG 491 2.201 -12.336 -1.684 310 2HB ARG 491 1HB ARG 491 1.403 -10.924 -1.007 311 1HG ARG 491 2HG ARG 491 2.742 -9.449 -2.142 312 2HG ARG 491 1HG ARG 491 4.074 -10.599 -2.283 313 1HD ARG 491 2HD ARG 491 1.480 -10.603 -3.815 314 2HD ARG 491 1HD ARG 491 3.096 -10.304 -4.451 315 HE ARG 491 HE ARG 491 1.872 -12.835 -4.029 316 1HH1 ARG 491 1HH1 ARG 491 4.932 -11.176 -3.937 317 2HH1 ARG 491 2HH1 ARG 491 5.864 -12.605 -4.240 318 1HH2 ARG 491 1HH2 ARG 491 3.087 -14.724 -4.424 319 2HH2 ARG 491 2HH2 ARG 491 4.814 -14.623 -4.518 320 H MET 492 H MET 492 5.598 -10.641 -0.198 321 HA MET 492 HA MET 492 6.690 -13.065 -1.331 322 1HB MET 492 2HB MET 492 7.310 -10.570 -1.853 323 2HB MET 492 1HB MET 492 8.366 -10.742 -0.458 324 1HG MET 492 2HG MET 492 9.629 -12.438 -1.494 325 2HG MET 492 1HG MET 492 8.434 -12.650 -2.772 326 1HE MET 492 1HE MET 492 12.046 -11.290 -3.725 327 2HE MET 492 2HE MET 492 10.895 -11.935 -4.895 328 3HE MET 492 3HE MET 492 11.101 -12.726 -3.333 329 H GLN 493 H GLN 493 6.881 -11.287 1.711 330 HA GLN 493 HA GLN 493 8.897 -12.935 2.863 331 1HB GLN 493 2HB GLN 493 7.251 -10.672 3.682 332 2HB GLN 493 1HB GLN 493 7.488 -11.832 4.982 333 1HG GLN 493 2HG GLN 493 9.879 -11.036 3.432 334 2HG GLN 493 1HG GLN 493 9.169 -9.829 4.504 335 1HE2 GLN 493 1HE2 GLN 493 11.033 -12.679 4.276 336 2HE2 GLN 493 2HE2 GLN 493 11.321 -12.902 5.965 337 H ASN 494 H ASN 494 8.524 -15.058 3.059 338 HA ASN 494 HA ASN 494 6.567 -15.969 4.929 339 1HB ASN 494 2HB ASN 494 5.641 -17.644 3.114 340 2HB ASN 494 1HB ASN 494 4.932 -16.044 3.307 341 1HD2 ASN 494 1HD2 ASN 494 4.222 -15.756 1.265 342 2HD2 ASN 494 2HD2 ASN 494 5.255 -15.647 -0.115 343 H VAL 495 H VAL 495 8.304 -17.308 2.112 344 HA VAL 495 HA VAL 495 10.142 -18.726 3.806 345 HB VAL 495 HB VAL 495 8.168 -20.210 3.915 346 1HG1 VAL 495 1HG1 VAL 495 6.898 -20.482 2.115 347 2HG1 VAL 495 2HG1 VAL 495 8.199 -21.422 1.386 348 3HG1 VAL 495 3HG1 VAL 495 8.097 -19.686 1.096 349 1HG2 VAL 495 1HG2 VAL 495 10.797 -20.889 3.445 350 2HG2 VAL 495 2HG2 VAL 495 9.907 -21.892 2.299 351 3HG2 VAL 495 3HG2 VAL 495 9.532 -21.975 4.021 352 H ALA 496 H ALA 496 10.426 -16.810 1.759 353 HA ALA 496 HA ALA 496 11.371 -16.398 -0.301 354 1HB ALA 496 1HB ALA 496 13.619 -17.060 -0.353 355 2HB ALA 496 2HB ALA 496 13.290 -18.554 0.525 356 3HB ALA 496 3HB ALA 496 13.203 -17.002 1.359 357 H ILE 497 H ILE 497 9.789 -17.166 -1.752 358 HA ILE 497 HA ILE 497 10.692 -19.351 -3.400 359 HB ILE 497 HB ILE 497 8.385 -20.445 -3.344 360 1HG1 ILE 497 2HG1 ILE 497 8.301 -18.969 -0.703 361 2HG1 ILE 497 1HG1 ILE 497 7.232 -18.697 -2.076 362 1HG2 ILE 497 1HG2 ILE 497 10.504 -21.393 -2.416 363 2HG2 ILE 497 2HG2 ILE 497 9.036 -21.959 -1.618 364 3HG2 ILE 497 3HG2 ILE 497 10.043 -20.733 -0.847 365 1HD1 ILE 497 1HD1 ILE 497 6.179 -20.026 -0.296 366 2HD1 ILE 497 2HD1 ILE 497 7.409 -21.270 -0.523 367 3HD1 ILE 497 3HD1 ILE 497 6.281 -20.899 -1.825 368 H THR 498 H THR 498 10.706 -16.927 -4.312 369 HA THR 498 HA THR 498 8.220 -16.618 -5.867 370 HB THR 498 HB THR 498 10.093 -14.321 -5.434 371 HG1 THR 498 1HG THR 498 8.217 -15.378 -3.595 372 1HG2 THR 498 1HG2 THR 498 7.327 -14.767 -6.368 373 2HG2 THR 498 2HG2 THR 498 8.509 -13.553 -6.860 374 3HG2 THR 498 3HG2 THR 498 7.585 -13.332 -5.375 375 H GLY 499 H GLY 499 8.416 -16.911 -7.985 376 1HA GLY 499 2HA GLY 499 10.977 -16.283 -9.281 377 2HA GLY 499 1HA GLY 499 10.292 -17.887 -9.492 378 1H GLY 605 1HT GLY 605 21.302 12.009 -2.729 379 2H GLY 605 2HT GLY 605 19.974 12.851 -3.354 380 3H GLY 605 3HT GLY 605 21.375 12.670 -4.285 381 1HA GLY 605 1HA GLY 605 19.547 10.491 -3.434 382 2HA GLY 605 2HA GLY 605 19.661 11.163 -5.054 383 H SER 606 H SER 606 20.749 9.920 -6.410 384 HA SER 606 HA SER 606 22.271 8.467 -7.273 385 1HB SER 606 2HB SER 606 24.065 9.851 -6.704 386 2HB SER 606 1HB SER 606 23.807 9.638 -4.973 387 HG SER 606 HG SER 606 25.580 8.426 -5.554 388 H THR 607 H THR 607 23.150 7.926 -3.887 389 HA THR 607 HA THR 607 22.682 5.088 -4.203 390 HB THR 607 HB THR 607 23.392 6.335 -1.575 391 HG1 THR 607 1HG THR 607 24.987 6.236 -3.904 392 1HG2 THR 607 1HG2 THR 607 24.422 4.304 -1.126 393 2HG2 THR 607 2HG2 THR 607 24.629 3.916 -2.834 394 3HG2 THR 607 3HG2 THR 607 23.032 3.813 -2.094 395 H LEU 608 H LEU 608 21.700 7.402 -1.670 396 HA LEU 608 HA LEU 608 19.883 7.440 -0.291 397 1HB LEU 608 2HB LEU 608 18.882 8.288 -2.342 398 2HB LEU 608 1HB LEU 608 18.549 6.653 -2.881 399 HG LEU 608 HG LEU 608 17.294 6.833 -0.397 400 1HD1 LEU 608 1HD1 LEU 608 17.640 9.452 -1.388 401 2HD1 LEU 608 2HD1 LEU 608 16.664 8.922 -0.017 402 3HD1 LEU 608 3HD1 LEU 608 15.946 9.022 -1.625 403 1HD2 LEU 608 1HD2 LEU 608 16.546 6.634 -3.234 404 2HD2 LEU 608 2HD2 LEU 608 15.273 7.198 -2.152 405 3HD2 LEU 608 3HD2 LEU 608 16.058 5.647 -1.856 406 HA PRO 609 HA PRO 609 19.866 2.728 0.054 407 1HB PRO 609 2HB PRO 609 21.157 2.612 2.449 408 2HB PRO 609 1HB PRO 609 21.997 2.568 0.894 409 1HG PRO 609 2HG PRO 609 21.580 4.874 2.758 410 2HG PRO 609 1HG PRO 609 23.039 4.405 1.867 411 1HD PRO 609 2HD PRO 609 21.417 6.395 1.029 412 2HD PRO 609 1HD PRO 609 22.290 5.344 -0.105 413 H ILE 610 H ILE 610 19.322 5.334 2.366 414 HA ILE 610 HA ILE 610 17.150 3.753 3.578 415 HB ILE 610 HB ILE 610 18.642 6.088 4.783 416 1HG1 ILE 610 2HG1 ILE 610 18.756 3.147 5.488 417 2HG1 ILE 610 1HG1 ILE 610 19.998 4.015 4.590 418 1HG2 ILE 610 1HG2 ILE 610 17.391 5.743 6.757 419 2HG2 ILE 610 2HG2 ILE 610 16.717 4.230 6.153 420 3HG2 ILE 610 3HG2 ILE 610 16.222 5.763 5.437 421 1HD1 ILE 610 1HD1 ILE 610 19.507 3.883 7.446 422 2HD1 ILE 610 2HD1 ILE 610 19.697 5.534 6.856 423 3HD1 ILE 610 3HD1 ILE 610 20.963 4.342 6.562 424 HA PRO 611 HA PRO 611 14.918 6.844 0.967 425 1HB PRO 611 2HB PRO 611 12.763 5.043 1.984 426 2HB PRO 611 1HB PRO 611 13.009 5.698 0.361 427 1HG PRO 611 2HG PRO 611 13.618 3.166 0.902 428 2HG PRO 611 1HG PRO 611 14.647 4.140 -0.164 429 1HD PRO 611 2HD PRO 611 15.100 3.297 2.658 430 2HD PRO 611 1HD PRO 611 16.272 3.535 1.347 431 H GLY 612 H GLY 612 13.356 5.467 3.873 432 1HA GLY 612 2HA GLY 612 13.458 7.148 5.822 433 2HA GLY 612 1HA GLY 612 12.651 8.211 4.678 434 H THR 613 H THR 613 10.482 7.995 4.318 435 HA THR 613 HA THR 613 9.088 6.129 6.108 436 HB THR 613 HB THR 613 7.220 7.577 6.085 437 HG1 THR 613 1HG THR 613 7.025 9.282 4.606 438 1HG2 THR 613 1HG2 THR 613 9.804 9.117 6.177 439 2HG2 THR 613 2HG2 THR 613 8.851 8.494 7.525 440 3HG2 THR 613 3HG2 THR 613 8.251 9.853 6.574 441 HA PRO 614 HA PRO 614 7.619 3.457 2.928 442 1HB PRO 614 2HB PRO 614 4.939 3.925 4.167 443 2HB PRO 614 1HB PRO 614 5.729 2.403 3.740 444 1HG PRO 614 2HG PRO 614 5.636 3.212 6.273 445 2HG PRO 614 1HG PRO 614 7.086 2.426 5.622 446 1HD PRO 614 2HD PRO 614 6.609 5.297 6.253 447 2HD PRO 614 1HD PRO 614 8.107 4.352 6.352 448 HA PRO 615 HA PRO 615 5.788 5.561 -0.482 449 1HB PRO 615 2HB PRO 615 3.417 3.758 -0.370 450 2HB PRO 615 1HB PRO 615 4.483 4.136 -1.729 451 1HG PRO 615 2HG PRO 615 4.677 1.805 -0.455 452 2HG PRO 615 1HG PRO 615 6.124 2.657 -1.029 453 1HD PRO 615 2HD PRO 615 5.046 2.401 1.741 454 2HD PRO 615 1HD PRO 615 6.730 2.473 1.185 455 HA PRO 616 HA PRO 616 2.627 8.469 0.528 456 1HB PRO 616 2HB PRO 616 0.795 7.537 -1.604 457 2HB PRO 616 1HB PRO 616 1.518 9.130 -1.358 458 1HG PRO 616 2HG PRO 616 2.370 7.517 -3.310 459 2HG PRO 616 1HG PRO 616 3.499 8.538 -2.400 460 1HD PRO 616 2HD PRO 616 2.962 5.605 -2.141 461 2HD PRO 616 1HD PRO 616 4.505 6.482 -2.053 462 H ASN 617 H ASN 617 1.303 8.400 2.215 463 HA ASN 617 HA ASN 617 -0.007 6.103 3.121 464 1HB ASN 617 2HB ASN 617 0.625 8.190 4.451 465 2HB ASN 617 1HB ASN 617 -0.851 8.913 3.820 466 1HD2 ASN 617 1HD2 ASN 617 -0.041 5.680 5.034 467 2HD2 ASN 617 2HD2 ASN 617 -1.294 5.628 6.224 468 H TYR 618 H TYR 618 -2.251 5.596 3.256 469 HA TYR 618 HA TYR 618 -3.649 5.863 0.841 470 1HB TYR 618 2HB TYR 618 -4.055 4.000 2.357 471 2HB TYR 618 1HB TYR 618 -4.677 5.100 3.582 472 HD1 TYR 618 1HD TYR 618 -6.876 6.158 3.300 473 HD2 TYR 618 2HD TYR 618 -5.404 3.337 0.476 474 HE1 TYR 618 1HE TYR 618 -9.143 5.905 2.380 475 HE2 TYR 618 2HE TYR 618 -7.666 3.076 -0.452 476 HH TYR 618 HH TYR 618 -9.903 4.886 -0.385 477 H ASP 619 H ASP 619 -3.779 7.700 3.830 478 HA ASP 619 HA ASP 619 -6.132 9.160 3.270 479 1HB ASP 619 2HB ASP 619 -3.888 9.358 5.187 480 2HB ASP 619 1HB ASP 619 -4.731 10.866 4.846 481 H SER 620 H SER 620 -2.713 9.774 2.617 482 HA SER 620 HA SER 620 -3.116 12.356 1.484 483 1HB SER 620 2HB SER 620 -0.908 10.788 2.222 484 2HB SER 620 1HB SER 620 -0.743 11.036 0.485 485 HG SER 620 HG SER 620 0.185 12.797 1.348 486 H LEU 621 H LEU 621 -3.381 9.125 0.291 487 HA LEU 621 HA LEU 621 -3.071 9.733 -2.479 488 1HB LEU 621 2HB LEU 621 -3.920 7.397 -0.868 489 2HB LEU 621 1HB LEU 621 -4.503 7.458 -2.521 490 HG LEU 621 HG LEU 621 -1.633 7.398 -1.600 491 1HD1 LEU 621 1HD1 LEU 621 -3.322 5.500 -3.221 492 2HD1 LEU 621 2HD1 LEU 621 -2.690 5.235 -1.596 493 3HD1 LEU 621 3HD1 LEU 621 -1.584 5.337 -2.966 494 1HD2 LEU 621 1HD2 LEU 621 -2.828 8.063 -4.261 495 2HD2 LEU 621 2HD2 LEU 621 -1.257 7.271 -4.156 496 3HD2 LEU 621 3HD2 LEU 621 -1.502 8.848 -3.403 Start of MODEL 9 1 1H GLY 450 1HT GLY 450 18.425 -15.247 -0.307 2 2H GLY 450 2HT GLY 450 19.182 -13.738 -0.419 3 3H GLY 450 3HT GLY 450 19.692 -14.856 0.744 4 1HA GLY 450 1HA GLY 450 21.087 -14.581 -1.378 5 2HA GLY 450 2HA GLY 450 20.761 -16.196 -0.768 6 H SER 451 H SER 451 19.427 -13.752 -2.981 7 HA SER 451 HA SER 451 18.354 -13.937 -4.979 8 1HB SER 451 2HB SER 451 19.540 -16.620 -5.503 9 2HB SER 451 1HB SER 451 19.432 -15.211 -6.559 10 HG SER 451 HG SER 451 21.105 -14.257 -5.359 11 HA PRO 452 HA PRO 452 14.679 -16.358 -4.925 12 1HB PRO 452 2HB PRO 452 15.361 -17.718 -7.479 13 2HB PRO 452 1HB PRO 452 13.934 -16.765 -7.054 14 1HG PRO 452 2HG PRO 452 15.812 -15.757 -8.651 15 2HG PRO 452 1HG PRO 452 15.007 -14.743 -7.439 16 1HD PRO 452 2HD PRO 452 17.730 -15.979 -7.370 17 2HD PRO 452 1HD PRO 452 17.204 -14.377 -6.811 18 H VAL 453 H VAL 453 13.754 -18.535 -4.825 19 HA VAL 453 HA VAL 453 15.502 -20.820 -4.832 20 HB VAL 453 HB VAL 453 14.952 -21.379 -2.406 21 1HG1 VAL 453 1HG1 VAL 453 17.197 -20.684 -3.239 22 2HG1 VAL 453 2HG1 VAL 453 16.892 -20.258 -1.556 23 3HG1 VAL 453 3HG1 VAL 453 16.788 -19.022 -2.808 24 1HG2 VAL 453 1HG2 VAL 453 13.234 -19.709 -2.036 25 2HG2 VAL 453 2HG2 VAL 453 14.396 -18.415 -2.330 26 3HG2 VAL 453 3HG2 VAL 453 14.573 -19.456 -0.917 27 H ASP 454 H ASP 454 12.401 -19.462 -3.782 28 HA ASP 454 HA ASP 454 11.075 -21.853 -4.861 29 1HB ASP 454 2HB ASP 454 9.524 -21.919 -3.020 30 2HB ASP 454 1HB ASP 454 11.156 -21.937 -2.358 31 H SER 455 H SER 455 10.695 -18.494 -3.801 32 HA SER 455 HA SER 455 9.664 -16.721 -4.861 33 1HB SER 455 2HB SER 455 10.092 -18.223 -6.998 34 2HB SER 455 1HB SER 455 8.349 -18.461 -6.906 35 HG SER 455 HG SER 455 9.807 -16.181 -7.517 36 H ASN 456 H ASN 456 7.505 -19.523 -5.358 37 HA ASN 456 HA ASN 456 5.404 -19.968 -4.600 38 1HB ASN 456 2HB ASN 456 6.562 -19.394 -2.374 39 2HB ASN 456 1HB ASN 456 5.765 -17.829 -2.507 40 1HD2 ASN 456 1HD2 ASN 456 5.139 -21.304 -2.502 41 2HD2 ASN 456 2HD2 ASN 456 3.578 -21.201 -1.770 42 H ASP 457 H ASP 457 3.951 -19.340 -6.068 43 HA ASP 457 HA ASP 457 3.510 -16.531 -6.623 44 1HB ASP 457 2HB ASP 457 2.395 -19.071 -7.810 45 2HB ASP 457 1HB ASP 457 1.837 -17.472 -8.293 46 H LEU 458 H LEU 458 1.634 -15.392 -6.267 47 HA LEU 458 HA LEU 458 -0.423 -16.696 -4.618 48 1HB LEU 458 2HB LEU 458 1.195 -14.287 -4.049 49 2HB LEU 458 1HB LEU 458 -0.516 -14.161 -3.691 50 HG LEU 458 HG LEU 458 1.450 -16.127 -2.525 51 1HD1 LEU 458 1HD1 LEU 458 -0.190 -13.886 -1.359 52 2HD1 LEU 458 2HD1 LEU 458 1.567 -13.976 -1.481 53 3HD1 LEU 458 3HD1 LEU 458 0.700 -15.068 -0.401 54 1HD2 LEU 458 1HD2 LEU 458 -1.525 -16.140 -2.598 55 2HD2 LEU 458 2HD2 LEU 458 -0.710 -16.663 -1.124 56 3HD2 LEU 458 3HD2 LEU 458 -0.386 -17.487 -2.650 57 H GLY 459 H GLY 459 0.390 -13.957 -6.719 58 1HA GLY 459 2HA GLY 459 -1.130 -13.678 -8.662 59 2HA GLY 459 1HA GLY 459 -2.454 -13.860 -7.520 60 HA PRO 460 HA PRO 460 -1.976 -9.324 -8.089 61 1HB PRO 460 2HB PRO 460 -4.800 -9.361 -7.256 62 2HB PRO 460 1HB PRO 460 -4.066 -8.661 -8.701 63 1HG PRO 460 2HG PRO 460 -5.590 -10.868 -8.824 64 2HG PRO 460 1HG PRO 460 -4.186 -10.642 -9.884 65 1HD PRO 460 2HD PRO 460 -4.439 -12.296 -7.399 66 2HD PRO 460 1HD PRO 460 -3.623 -12.681 -8.930 67 H LEU 461 H LEU 461 -0.768 -10.167 -5.935 68 HA LEU 461 HA LEU 461 -0.284 -9.721 -3.759 69 1HB LEU 461 2HB LEU 461 -2.388 -7.576 -3.836 70 2HB LEU 461 1HB LEU 461 -0.925 -7.627 -2.871 71 HG LEU 461 HG LEU 461 -0.900 -7.385 -5.875 72 1HD1 LEU 461 1HD1 LEU 461 -1.357 -5.359 -3.786 73 2HD1 LEU 461 2HD1 LEU 461 -1.816 -5.365 -5.488 74 3HD1 LEU 461 3HD1 LEU 461 -0.168 -4.947 -5.021 75 1HD2 LEU 461 1HD2 LEU 461 1.241 -7.942 -5.437 76 2HD2 LEU 461 2HD2 LEU 461 1.131 -7.474 -3.741 77 3HD2 LEU 461 3HD2 LEU 461 1.368 -6.245 -4.981 78 HA PRO 462 HA PRO 462 -3.186 -11.694 -1.101 79 1HB PRO 462 2HB PRO 462 -2.740 -9.852 1.122 80 2HB PRO 462 1HB PRO 462 -2.251 -11.535 0.958 81 1HG PRO 462 2HG PRO 462 -0.476 -9.496 0.921 82 2HG PRO 462 1HG PRO 462 -0.230 -10.998 0.012 83 1HD PRO 462 2HD PRO 462 -1.186 -8.330 -0.956 84 2HD PRO 462 1HD PRO 462 -0.062 -9.473 -1.725 85 HA PRO 463 HA PRO 463 -7.112 -9.710 -0.745 86 1HB PRO 463 2HB PRO 463 -8.003 -10.315 1.766 87 2HB PRO 463 1HB PRO 463 -7.977 -11.476 0.434 88 1HG PRO 463 2HG PRO 463 -6.030 -11.121 2.680 89 2HG PRO 463 1HG PRO 463 -6.677 -12.619 1.983 90 1HD PRO 463 2HD PRO 463 -4.219 -11.696 1.367 91 2HD PRO 463 1HD PRO 463 -5.225 -12.561 0.187 92 H GLY 464 H GLY 464 -7.692 -7.640 -0.481 93 1HA GLY 464 2HA GLY 464 -8.057 -5.626 0.643 94 2HA GLY 464 1HA GLY 464 -7.143 -6.249 2.006 95 H TRP 465 H TRP 465 -5.121 -6.941 -0.370 96 HA TRP 465 HA TRP 465 -3.596 -4.490 0.018 97 1HB TRP 465 2HB TRP 465 -2.948 -7.256 -0.962 98 2HB TRP 465 1HB TRP 465 -1.839 -5.924 -1.261 99 HD1 TRP 465 HD TRP 465 -3.237 -8.053 1.587 100 HE1 TRP 465 1HE TRP 465 -1.735 -7.719 3.652 101 HE3 TRP 465 3HE TRP 465 -0.300 -4.262 -0.162 102 HZ2 TRP 465 2HZ TRP 465 0.408 -6.063 4.424 103 HZ3 TRP 465 3HZ TRP 465 1.449 -3.352 1.304 104 HH2 TRP 465 HH TRP 465 1.797 -4.236 3.555 105 H GLU 466 H GLU 466 -2.412 -3.566 -1.839 106 HA GLU 466 HA GLU 466 -3.614 -3.950 -4.455 107 1HB GLU 466 2HB GLU 466 -4.404 -1.818 -2.691 108 2HB GLU 466 1HB GLU 466 -3.606 -1.149 -4.108 109 1HG GLU 466 2HG GLU 466 -5.463 -3.207 -4.874 110 2HG GLU 466 1HG GLU 466 -6.257 -1.982 -3.885 111 H GLU 467 H GLU 467 -2.325 -3.274 -6.143 112 HA GLU 467 HA GLU 467 0.419 -2.588 -5.408 113 1HB GLU 467 2HB GLU 467 1.020 -3.283 -7.647 114 2HB GLU 467 1HB GLU 467 0.001 -4.514 -6.916 115 1HG GLU 467 2HG GLU 467 -1.828 -2.935 -8.187 116 2HG GLU 467 1HG GLU 467 -0.444 -2.863 -9.277 117 H ARG 468 H ARG 468 0.620 -0.429 -5.137 118 HA ARG 468 HA ARG 468 -0.561 1.351 -7.155 119 1HB ARG 468 2HB ARG 468 -0.150 1.538 -4.289 120 2HB ARG 468 1HB ARG 468 0.509 2.934 -5.127 121 1HG ARG 468 2HG ARG 468 -2.258 1.984 -5.730 122 2HG ARG 468 1HG ARG 468 -1.939 2.975 -4.305 123 1HD ARG 468 2HD ARG 468 -2.159 4.739 -5.650 124 2HD ARG 468 1HD ARG 468 -0.587 4.293 -6.313 125 HE ARG 468 HE ARG 468 -2.411 2.795 -7.710 126 1HH1 ARG 468 1HH1 ARG 468 -1.881 6.186 -7.128 127 2HH1 ARG 468 2HH1 ARG 468 -2.544 6.685 -8.649 128 1HH2 ARG 468 1HH2 ARG 468 -3.286 3.439 -9.717 129 2HH2 ARG 468 2HH2 ARG 468 -3.343 5.123 -10.120 130 H THR 469 H THR 469 0.684 2.930 -8.183 131 HA THR 469 HA THR 469 3.493 2.226 -8.456 132 HB THR 469 HB THR 469 3.462 3.891 -10.334 133 HG1 THR 469 1HG THR 469 1.588 5.053 -9.429 134 1HG2 THR 469 1HG2 THR 469 1.507 2.428 -11.538 135 2HG2 THR 469 2HG2 THR 469 1.926 1.391 -10.174 136 3HG2 THR 469 3HG2 THR 469 3.171 1.885 -11.321 137 H HIS 470 H HIS 470 5.105 3.295 -7.529 138 HA HIS 470 HA HIS 470 4.582 5.617 -5.913 139 1HB HIS 470 2HB HIS 470 6.209 3.702 -5.380 140 2HB HIS 470 1HB HIS 470 7.304 4.479 -6.519 141 HD2 HIS 470 2HD HIS 470 8.833 6.420 -5.466 142 HE1 HIS 470 1HE HIS 470 6.654 6.911 -1.871 143 HE2 HIS 470 2HE HIS 470 8.804 7.467 -3.094 144 H THR 471 H THR 471 5.928 7.579 -6.049 145 HA THR 471 HA THR 471 5.699 8.844 -8.522 146 HB THR 471 HB THR 471 7.707 9.723 -6.462 147 HG1 THR 471 1HG THR 471 6.081 10.436 -5.182 148 1HG2 THR 471 1HG2 THR 471 7.376 11.852 -7.291 149 2HG2 THR 471 2HG2 THR 471 5.764 11.478 -7.902 150 3HG2 THR 471 3HG2 THR 471 7.189 10.884 -8.754 151 H ASP 472 H ASP 472 8.197 6.802 -7.300 152 HA ASP 472 HA ASP 472 10.164 7.721 -9.231 153 1HB ASP 472 2HB ASP 472 10.179 6.054 -6.819 154 2HB ASP 472 1HB ASP 472 11.221 5.453 -8.105 155 H GLY 473 H GLY 473 7.625 5.467 -9.152 156 1HA GLY 473 2HA GLY 473 7.025 4.420 -11.255 157 2HA GLY 473 1HA GLY 473 8.737 4.155 -11.548 158 H ARG 474 H ARG 474 8.884 3.397 -8.556 159 HA ARG 474 HA ARG 474 8.554 0.576 -8.993 160 1HB ARG 474 2HB ARG 474 9.370 2.155 -6.549 161 2HB ARG 474 1HB ARG 474 9.344 0.398 -6.621 162 1HG ARG 474 2HG ARG 474 11.323 0.328 -7.622 163 2HG ARG 474 1HG ARG 474 10.836 1.523 -8.825 164 1HD ARG 474 2HD ARG 474 11.601 3.298 -7.566 165 2HD ARG 474 1HD ARG 474 11.468 2.412 -6.048 166 HE ARG 474 HE ARG 474 13.446 1.341 -7.833 167 1HH1 ARG 474 1HH1 ARG 474 12.807 3.706 -5.361 168 2HH1 ARG 474 2HH1 ARG 474 14.462 3.831 -4.868 169 1HH2 ARG 474 1HH2 ARG 474 15.630 1.495 -7.193 170 2HH2 ARG 474 2HH2 ARG 474 16.069 2.573 -5.911 171 H VAL 475 H VAL 475 6.764 -0.556 -8.637 172 HA VAL 475 HA VAL 475 4.485 0.684 -7.406 173 HB VAL 475 HB VAL 475 4.299 -0.804 -9.378 174 1HG1 VAL 475 1HG1 VAL 475 4.726 -3.137 -7.512 175 2HG1 VAL 475 2HG1 VAL 475 6.032 -2.429 -8.455 176 3HG1 VAL 475 3HG1 VAL 475 4.642 -3.131 -9.277 177 1HG2 VAL 475 1HG2 VAL 475 2.289 -2.063 -8.492 178 2HG2 VAL 475 2HG2 VAL 475 2.321 -0.340 -8.142 179 3HG2 VAL 475 3HG2 VAL 475 2.740 -1.495 -6.879 180 H PHE 476 H PHE 476 4.292 0.800 -5.279 181 HA PHE 476 HA PHE 476 5.500 -1.213 -3.560 182 1HB PHE 476 2HB PHE 476 4.908 0.301 -1.724 183 2HB PHE 476 1HB PHE 476 5.785 1.156 -2.989 184 HD1 PHE 476 1HD PHE 476 4.656 2.774 -4.412 185 HD2 PHE 476 2HD PHE 476 2.606 0.783 -1.259 186 HE1 PHE 476 1HE PHE 476 2.841 4.430 -4.552 187 HE2 PHE 476 2HE PHE 476 0.787 2.435 -1.394 188 HZ PHE 476 HZ PHE 476 0.903 4.261 -3.042 189 H PHE 477 H PHE 477 4.064 -1.688 -1.503 190 HA PHE 477 HA PHE 477 1.496 -2.704 -2.517 191 1HB PHE 477 2HB PHE 477 3.049 -3.665 -0.109 192 2HB PHE 477 1HB PHE 477 1.626 -4.421 -0.814 193 HD1 PHE 477 1HD PHE 477 5.152 -3.521 -1.548 194 HD2 PHE 477 2HD PHE 477 1.849 -6.045 -2.462 195 HE1 PHE 477 1HE PHE 477 6.602 -4.891 -2.987 196 HE2 PHE 477 2HE PHE 477 3.294 -7.421 -3.902 197 HZ PHE 477 HZ PHE 477 5.674 -6.844 -4.166 198 H ILE 478 H ILE 478 -0.386 -2.547 -1.218 199 HA ILE 478 HA ILE 478 -0.260 -0.917 1.190 200 HB ILE 478 HB ILE 478 -0.512 0.710 -0.682 201 1HG1 ILE 478 2HG1 ILE 478 -2.792 0.390 1.267 202 2HG1 ILE 478 1HG1 ILE 478 -1.382 1.427 1.416 203 1HG2 ILE 478 1HG2 ILE 478 -3.251 -0.392 -1.144 204 2HG2 ILE 478 2HG2 ILE 478 -1.858 -0.949 -2.071 205 3HG2 ILE 478 3HG2 ILE 478 -2.333 0.746 -2.130 206 1HD1 ILE 478 1HD1 ILE 478 -3.954 1.976 0.228 207 2HD1 ILE 478 2HD1 ILE 478 -2.644 2.297 -0.910 208 3HD1 ILE 478 3HD1 ILE 478 -2.657 3.088 0.668 209 H ASN 479 H ASN 479 -1.577 -1.780 2.667 210 HA ASN 479 HA ASN 479 -3.661 -3.621 1.766 211 1HB ASN 479 2HB ASN 479 -3.603 -4.593 3.919 212 2HB ASN 479 1HB ASN 479 -1.924 -4.264 3.517 213 1HD2 ASN 479 1HD2 ASN 479 -2.717 -4.690 6.099 214 2HD2 ASN 479 2HD2 ASN 479 -2.579 -3.225 7.000 215 H HIS 480 H HIS 480 -5.807 -3.507 2.541 216 HA HIS 480 HA HIS 480 -6.656 -0.769 3.119 217 1HB HIS 480 2HB HIS 480 -7.976 -3.161 1.907 218 2HB HIS 480 1HB HIS 480 -8.979 -1.924 2.656 219 HD2 HIS 480 2HD HIS 480 -5.826 -1.066 0.494 220 HE1 HIS 480 1HE HIS 480 -9.319 0.293 -1.470 221 HE2 HIS 480 2HE HIS 480 -6.787 0.405 -1.414 222 H ASN 481 H ASN 481 -6.288 -3.782 4.701 223 HA ASN 481 HA ASN 481 -8.370 -3.825 6.522 224 1HB ASN 481 2HB ASN 481 -5.562 -4.489 7.370 225 2HB ASN 481 1HB ASN 481 -7.068 -5.257 7.857 226 1HD2 ASN 481 1HD2 ASN 481 -4.571 -5.094 5.512 227 2HD2 ASN 481 2HD2 ASN 481 -5.058 -6.455 4.571 228 H ILE 482 H ILE 482 -5.258 -2.140 6.799 229 HA ILE 482 HA ILE 482 -6.507 -0.320 8.738 230 HB ILE 482 HB ILE 482 -4.160 -0.225 9.826 231 1HG1 ILE 482 2HG1 ILE 482 -4.064 -2.975 8.567 232 2HG1 ILE 482 1HG1 ILE 482 -3.042 -1.614 8.118 233 1HG2 ILE 482 1HG2 ILE 482 -5.314 -2.814 10.556 234 2HG2 ILE 482 2HG2 ILE 482 -6.482 -1.495 10.475 235 3HG2 ILE 482 3HG2 ILE 482 -5.073 -1.361 11.528 236 1HD1 ILE 482 1HD1 ILE 482 -1.779 -1.761 10.024 237 2HD1 ILE 482 2HD1 ILE 482 -2.164 -3.457 9.734 238 3HD1 ILE 482 3HD1 ILE 482 -3.062 -2.543 10.945 239 H LYS 483 H LYS 483 -5.794 -0.226 5.820 240 HA LYS 483 HA LYS 483 -4.694 1.092 4.298 241 1HB LYS 483 2HB LYS 483 -5.405 3.154 6.390 242 2HB LYS 483 1HB LYS 483 -5.059 3.483 4.697 243 1HG LYS 483 2HG LYS 483 -7.388 3.521 4.855 244 2HG LYS 483 1HG LYS 483 -7.012 1.942 4.163 245 1HD LYS 483 2HD LYS 483 -7.745 0.825 5.987 246 2HD LYS 483 1HD LYS 483 -7.147 2.050 7.106 247 1HE LYS 483 2HE LYS 483 -9.696 1.719 6.867 248 2HE LYS 483 1HE LYS 483 -9.050 3.359 6.891 249 1HZ LYS 483 1HZ LYS 483 -10.753 2.564 5.066 250 2HZ LYS 483 2HZ LYS 483 -9.339 2.056 4.290 251 3HZ LYS 483 3HZ LYS 483 -9.535 3.683 4.712 252 H LYS 484 H LYS 484 -2.584 0.168 4.613 253 HA LYS 484 HA LYS 484 -0.660 2.162 5.477 254 1HB LYS 484 2HB LYS 484 -1.348 0.272 7.308 255 2HB LYS 484 1HB LYS 484 -0.011 -0.529 6.493 256 1HG LYS 484 2HG LYS 484 1.531 0.997 7.221 257 2HG LYS 484 1HG LYS 484 0.339 2.290 7.380 258 1HD LYS 484 2HD LYS 484 -0.383 1.551 9.440 259 2HD LYS 484 1HD LYS 484 0.132 -0.111 9.142 260 1HE LYS 484 2HE LYS 484 1.687 0.644 10.689 261 2HE LYS 484 1HE LYS 484 2.519 0.873 9.150 262 1HZ LYS 484 1HZ LYS 484 1.376 3.226 9.360 263 2HZ LYS 484 2HZ LYS 484 2.875 2.897 10.072 264 3HZ LYS 484 3HZ LYS 484 1.467 2.863 11.010 265 H THR 485 H THR 485 0.875 2.297 3.996 266 HA THR 485 HA THR 485 1.220 0.092 2.105 267 HB THR 485 HB THR 485 0.920 2.074 0.901 268 HG1 THR 485 1HG THR 485 3.182 2.575 0.179 269 1HG2 THR 485 1HG2 THR 485 2.468 4.097 1.452 270 2HG2 THR 485 2HG2 THR 485 2.603 3.331 3.035 271 3HG2 THR 485 3HG2 THR 485 1.022 3.821 2.423 272 H GLN 486 H GLN 486 3.435 -0.430 1.374 273 HA GLN 486 HA GLN 486 5.637 0.220 3.111 274 1HB GLN 486 2HB GLN 486 6.061 -2.250 3.605 275 2HB GLN 486 1HB GLN 486 4.784 -1.461 4.523 276 1HG GLN 486 2HG GLN 486 3.116 -2.612 3.464 277 2HG GLN 486 1HG GLN 486 4.072 -2.864 2.005 278 1HE2 GLN 486 1HE2 GLN 486 5.588 -4.530 1.950 279 2HE2 GLN 486 2HE2 GLN 486 5.530 -5.846 3.064 280 H TRP 487 H TRP 487 7.600 -0.148 2.152 281 HA TRP 487 HA TRP 487 7.603 -0.577 -0.662 282 1HB TRP 487 2HB TRP 487 9.660 0.007 1.415 283 2HB TRP 487 1HB TRP 487 10.208 -0.636 -0.129 284 HD1 TRP 487 HD TRP 487 9.612 2.554 1.499 285 HE1 TRP 487 1HE TRP 487 9.369 4.458 -0.214 286 HE3 TRP 487 3HE TRP 487 8.942 -0.239 -2.734 287 HZ2 TRP 487 2HZ TRP 487 8.949 4.742 -2.990 288 HZ3 TRP 487 3HZ TRP 487 8.625 0.928 -4.877 289 HH2 TRP 487 HH TRP 487 8.628 3.367 -5.001 290 H GLU 488 H GLU 488 8.449 -2.536 2.132 291 HA GLU 488 HA GLU 488 9.747 -4.628 0.782 292 1HB GLU 488 2HB GLU 488 8.620 -4.172 3.443 293 2HB GLU 488 1HB GLU 488 8.517 -5.850 2.927 294 1HG GLU 488 2HG GLU 488 10.551 -5.816 3.978 295 2HG GLU 488 1HG GLU 488 11.020 -5.531 2.303 296 H ASP 489 H ASP 489 8.873 -6.888 0.617 297 HA ASP 489 HA ASP 489 6.299 -6.785 -0.757 298 1HB ASP 489 2HB ASP 489 8.401 -8.959 -0.676 299 2HB ASP 489 1HB ASP 489 6.934 -8.999 -1.650 300 HA PRO 490 HA PRO 490 4.657 -8.675 3.024 301 1HB PRO 490 2HB PRO 490 2.052 -8.267 2.456 302 2HB PRO 490 1HB PRO 490 3.101 -6.970 3.044 303 1HG PRO 490 2HG PRO 490 2.239 -7.587 0.241 304 2HG PRO 490 1HG PRO 490 2.326 -6.018 1.064 305 1HD PRO 490 2HD PRO 490 4.247 -6.897 -0.647 306 2HD PRO 490 1HD PRO 490 4.595 -5.826 0.724 307 H ARG 491 H ARG 491 3.561 -9.290 -0.280 308 HA ARG 491 HA ARG 491 2.277 -11.764 0.341 309 1HB ARG 491 2HB ARG 491 2.383 -12.054 -2.200 310 2HB ARG 491 1HB ARG 491 1.462 -10.692 -1.579 311 1HG ARG 491 2HG ARG 491 3.104 -9.147 -2.212 312 2HG ARG 491 1HG ARG 491 4.323 -10.404 -2.426 313 1HD ARG 491 2HD ARG 491 1.881 -9.947 -4.136 314 2HD ARG 491 1HD ARG 491 3.555 -9.623 -4.584 315 HE ARG 491 HE ARG 491 2.211 -12.135 -4.685 316 1HH1 ARG 491 1HH1 ARG 491 5.312 -10.634 -4.173 317 2HH1 ARG 491 2HH1 ARG 491 6.212 -12.023 -4.681 318 1HH2 ARG 491 1HH2 ARG 491 3.390 -13.971 -5.355 319 2HH2 ARG 491 2HH2 ARG 491 5.121 -13.919 -5.352 320 H MET 492 H MET 492 5.542 -10.869 -0.071 321 HA MET 492 HA MET 492 6.433 -13.441 -1.034 322 1HB MET 492 2HB MET 492 7.525 -10.841 -0.900 323 2HB MET 492 1HB MET 492 8.549 -11.860 0.104 324 1HG MET 492 2HG MET 492 7.868 -12.264 -2.796 325 2HG MET 492 1HG MET 492 9.432 -11.817 -2.115 326 1HE MET 492 1HE MET 492 11.156 -15.006 -1.484 327 2HE MET 492 2HE MET 492 10.879 -13.557 -0.516 328 3HE MET 492 3HE MET 492 11.195 -13.414 -2.245 329 H GLN 493 H GLN 493 6.031 -11.813 2.018 330 HA GLN 493 HA GLN 493 7.652 -13.627 3.530 331 1HB GLN 493 2HB GLN 493 5.969 -11.283 4.072 332 2HB GLN 493 1HB GLN 493 5.942 -12.488 5.353 333 1HG GLN 493 2HG GLN 493 8.378 -12.402 5.491 334 2HG GLN 493 1HG GLN 493 8.408 -11.197 4.205 335 1HE2 GLN 493 1HE2 GLN 493 9.279 -9.551 5.361 336 2HE2 GLN 493 2HE2 GLN 493 8.486 -8.781 6.690 337 H ASN 494 H ASN 494 6.481 -15.480 2.344 338 HA ASN 494 HA ASN 494 3.872 -16.187 3.302 339 1HB ASN 494 2HB ASN 494 5.850 -18.037 1.973 340 2HB ASN 494 1HB ASN 494 4.094 -18.166 1.993 341 1HD2 ASN 494 1HD2 ASN 494 3.079 -15.966 1.166 342 2HD2 ASN 494 2HD2 ASN 494 3.696 -15.453 -0.364 343 H VAL 495 H VAL 495 7.145 -17.476 3.842 344 HA VAL 495 HA VAL 495 6.220 -19.194 5.976 345 HB VAL 495 HB VAL 495 9.060 -18.592 5.120 346 1HG1 VAL 495 1HG1 VAL 495 8.905 -19.417 7.412 347 2HG1 VAL 495 2HG1 VAL 495 9.641 -20.616 6.348 348 3HG1 VAL 495 3HG1 VAL 495 7.962 -20.799 6.855 349 1HG2 VAL 495 1HG2 VAL 495 8.420 -21.200 4.415 350 2HG2 VAL 495 2HG2 VAL 495 8.589 -19.827 3.322 351 3HG2 VAL 495 3HG2 VAL 495 6.999 -20.264 3.950 352 H ALA 496 H ALA 496 7.598 -16.035 5.650 353 HA ALA 496 HA ALA 496 7.694 -14.335 7.191 354 1HB ALA 496 1HB ALA 496 5.919 -15.717 8.448 355 2HB ALA 496 2HB ALA 496 6.856 -14.528 9.351 356 3HB ALA 496 3HB ALA 496 7.263 -16.240 9.464 357 H ILE 497 H ILE 497 8.981 -17.223 8.852 358 HA ILE 497 HA ILE 497 11.360 -15.780 9.612 359 HB ILE 497 HB ILE 497 12.049 -17.854 10.711 360 1HG1 ILE 497 2HG1 ILE 497 9.499 -19.239 10.152 361 2HG1 ILE 497 1HG1 ILE 497 10.619 -19.150 8.795 362 1HG2 ILE 497 1HG2 ILE 497 10.623 -17.607 12.462 363 2HG2 ILE 497 2HG2 ILE 497 9.184 -17.671 11.445 364 3HG2 ILE 497 3HG2 ILE 497 10.142 -16.192 11.526 365 1HD1 ILE 497 1HD1 ILE 497 11.049 -20.435 11.473 366 2HD1 ILE 497 2HD1 ILE 497 12.377 -20.074 10.370 367 3HD1 ILE 497 3HD1 ILE 497 11.094 -21.177 9.872 368 H THR 498 H THR 498 13.467 -17.281 9.405 369 HA THR 498 HA THR 498 13.976 -17.400 6.555 370 HB THR 498 HB THR 498 15.647 -16.344 7.984 371 HG1 THR 498 1HG THR 498 16.989 -17.103 6.544 372 1HG2 THR 498 1HG2 THR 498 16.408 -17.210 9.905 373 2HG2 THR 498 2HG2 THR 498 16.687 -18.793 9.179 374 3HG2 THR 498 3HG2 THR 498 15.082 -18.365 9.772 375 H GLY 499 H GLY 499 13.946 -19.191 5.366 376 1HA GLY 499 2HA GLY 499 14.453 -21.776 6.665 377 2HA GLY 499 1HA GLY 499 12.966 -21.567 5.753 378 1H GLY 605 1HT GLY 605 5.237 -4.138 14.274 379 2H GLY 605 2HT GLY 605 6.545 -5.196 14.438 380 3H GLY 605 3HT GLY 605 6.791 -3.527 14.540 381 1HA GLY 605 1HA GLY 605 5.931 -3.352 16.636 382 2HA GLY 605 2HA GLY 605 4.931 -4.781 16.425 383 H SER 606 H SER 606 8.421 -4.084 16.184 384 HA SER 606 HA SER 606 9.015 -5.793 18.415 385 1HB SER 606 2HB SER 606 10.396 -7.402 17.143 386 2HB SER 606 1HB SER 606 8.695 -7.497 16.690 387 HG SER 606 HG SER 606 9.206 -6.196 14.866 388 H THR 607 H THR 607 10.837 -4.973 15.470 389 HA THR 607 HA THR 607 12.524 -3.191 17.086 390 HB THR 607 HB THR 607 13.768 -4.955 15.001 391 HG1 THR 607 1HG THR 607 14.230 -6.450 16.649 392 1HG2 THR 607 1HG2 THR 607 14.679 -2.882 16.660 393 2HG2 THR 607 2HG2 THR 607 15.651 -3.955 15.652 394 3HG2 THR 607 3HG2 THR 607 15.341 -4.369 17.338 395 H LEU 608 H LEU 608 11.496 -4.182 13.842 396 HA LEU 608 HA LEU 608 12.288 -1.526 12.852 397 1HB LEU 608 2HB LEU 608 13.169 -3.762 11.826 398 2HB LEU 608 1HB LEU 608 11.596 -3.812 11.052 399 HG LEU 608 HG LEU 608 12.344 -1.298 10.412 400 1HD1 LEU 608 1HD1 LEU 608 14.709 -2.506 11.404 401 2HD1 LEU 608 2HD1 LEU 608 14.512 -0.920 10.657 402 3HD1 LEU 608 3HD1 LEU 608 14.879 -2.325 9.658 403 1HD2 LEU 608 1HD2 LEU 608 12.734 -3.927 9.044 404 2HD2 LEU 608 2HD2 LEU 608 13.253 -2.433 8.265 405 3HD2 LEU 608 3HD2 LEU 608 11.560 -2.654 8.711 406 HA PRO 609 HA PRO 609 7.629 -1.600 12.840 407 1HB PRO 609 2HB PRO 609 7.242 0.711 14.163 408 2HB PRO 609 1HB PRO 609 7.535 -0.813 15.011 409 1HG PRO 609 2HG PRO 609 9.448 1.408 14.393 410 2HG PRO 609 1HG PRO 609 9.245 0.495 15.900 411 1HD PRO 609 2HD PRO 609 11.208 -0.039 14.089 412 2HD PRO 609 1HD PRO 609 10.492 -1.277 15.141 413 H ILE 610 H ILE 610 9.893 1.082 12.325 414 HA ILE 610 HA ILE 610 8.624 1.680 9.783 415 HB ILE 610 HB ILE 610 8.707 4.212 10.481 416 1HG1 ILE 610 2HG1 ILE 610 8.179 2.880 13.145 417 2HG1 ILE 610 1HG1 ILE 610 9.644 3.762 12.725 418 1HG2 ILE 610 1HG2 ILE 610 6.658 3.344 9.731 419 2HG2 ILE 610 2HG2 ILE 610 6.308 4.024 11.318 420 3HG2 ILE 610 3HG2 ILE 610 6.493 2.281 11.131 421 1HD1 ILE 610 1HD1 ILE 610 7.823 5.645 12.180 422 2HD1 ILE 610 2HD1 ILE 610 8.564 5.437 13.767 423 3HD1 ILE 610 3HD1 ILE 610 6.968 4.759 13.443 424 HA PRO 611 HA PRO 611 13.203 1.842 9.458 425 1HB PRO 611 2HB PRO 611 12.323 1.945 6.611 426 2HB PRO 611 1HB PRO 611 13.586 0.965 7.364 427 1HG PRO 611 2HG PRO 611 11.261 -0.127 6.678 428 2HG PRO 611 1HG PRO 611 12.074 -0.595 8.184 429 1HD PRO 611 2HD PRO 611 9.707 1.181 7.777 430 2HD PRO 611 1HD PRO 611 10.045 0.031 9.087 431 H GLY 612 H GLY 612 11.181 3.579 7.078 432 1HA GLY 612 2HA GLY 612 12.492 6.085 7.900 433 2HA GLY 612 1HA GLY 612 12.454 5.637 6.202 434 H THR 613 H THR 613 10.620 5.964 5.017 435 HA THR 613 HA THR 613 8.175 6.785 6.383 436 HB THR 613 HB THR 613 7.907 8.831 5.182 437 HG1 THR 613 1HG THR 613 10.436 8.510 3.946 438 1HG2 THR 613 1HG2 THR 613 9.292 8.987 7.196 439 2HG2 THR 613 2HG2 THR 613 9.795 10.167 5.986 440 3HG2 THR 613 3HG2 THR 613 10.737 8.696 6.230 441 HA PRO 614 HA PRO 614 7.101 3.701 3.166 442 1HB PRO 614 2HB PRO 614 4.484 4.515 4.367 443 2HB PRO 614 1HB PRO 614 5.064 2.905 3.926 444 1HG PRO 614 2HG PRO 614 5.064 3.712 6.470 445 2HG PRO 614 1HG PRO 614 6.373 2.707 5.823 446 1HD PRO 614 2HD PRO 614 6.377 5.584 6.537 447 2HD PRO 614 1HD PRO 614 7.717 4.421 6.517 448 HA PRO 615 HA PRO 615 5.844 6.166 -0.263 449 1HB PRO 615 2HB PRO 615 3.586 4.270 -0.670 450 2HB PRO 615 1HB PRO 615 4.833 4.794 -1.806 451 1HG PRO 615 2HG PRO 615 4.928 2.372 -0.695 452 2HG PRO 615 1HG PRO 615 6.406 3.313 -0.968 453 1HD PRO 615 2HD PRO 615 4.922 2.804 1.569 454 2HD PRO 615 1HD PRO 615 6.668 2.964 1.293 455 HA PRO 616 HA PRO 616 2.422 8.885 0.380 456 1HB PRO 616 2HB PRO 616 0.868 7.672 -1.856 457 2HB PRO 616 1HB PRO 616 1.275 9.365 -1.559 458 1HG PRO 616 2HG PRO 616 2.560 7.966 -3.425 459 2HG PRO 616 1HG PRO 616 3.421 9.135 -2.407 460 1HD PRO 616 2HD PRO 616 3.407 6.157 -2.279 461 2HD PRO 616 1HD PRO 616 4.724 7.297 -1.936 462 H ASN 617 H ASN 617 1.182 8.603 2.118 463 HA ASN 617 HA ASN 617 -0.050 6.212 2.879 464 1HB ASN 617 2HB ASN 617 0.507 8.133 4.395 465 2HB ASN 617 1HB ASN 617 -0.878 8.993 3.729 466 1HD2 ASN 617 1HD2 ASN 617 -0.368 5.631 4.739 467 2HD2 ASN 617 2HD2 ASN 617 -1.690 5.585 5.850 468 H TYR 618 H TYR 618 -2.271 5.622 2.974 469 HA TYR 618 HA TYR 618 -3.681 5.986 0.582 470 1HB TYR 618 2HB TYR 618 -3.966 4.046 2.114 471 2HB TYR 618 1HB TYR 618 -4.806 5.100 3.248 472 HD1 TYR 618 1HD TYR 618 -4.986 3.627 -0.146 473 HD2 TYR 618 2HD TYR 618 -7.099 5.598 2.976 474 HE1 TYR 618 1HE TYR 618 -7.108 3.171 -1.303 475 HE2 TYR 618 2HE TYR 618 -9.227 5.147 1.828 476 HH TYR 618 HH TYR 618 -9.591 2.932 -0.568 477 H ASP 619 H ASP 619 -3.834 7.672 3.653 478 HA ASP 619 HA ASP 619 -6.245 9.066 3.221 479 1HB ASP 619 2HB ASP 619 -3.871 9.453 4.997 480 2HB ASP 619 1HB ASP 619 -5.030 10.768 4.837 481 H SER 620 H SER 620 -3.050 9.492 1.974 482 HA SER 620 HA SER 620 -3.650 12.186 1.010 483 1HB SER 620 2HB SER 620 -1.314 11.046 1.934 484 2HB SER 620 1HB SER 620 -1.093 11.020 0.184 485 HG SER 620 HG SER 620 -1.054 13.150 0.139 486 H LEU 621 H LEU 621 -3.647 8.924 -0.061 487 HA LEU 621 HA LEU 621 -3.222 9.416 -2.838 488 1HB LEU 621 2HB LEU 621 -4.122 7.124 -1.176 489 2HB LEU 621 1HB LEU 621 -4.544 7.095 -2.877 490 HG LEU 621 HG LEU 621 -1.749 7.275 -1.750 491 1HD1 LEU 621 1HD1 LEU 621 -3.386 5.065 -2.019 492 2HD1 LEU 621 2HD1 LEU 621 -1.628 5.057 -1.878 493 3HD1 LEU 621 3HD1 LEU 621 -2.385 5.031 -3.470 494 1HD2 LEU 621 1HD2 LEU 621 -1.166 6.839 -4.197 495 2HD2 LEU 621 2HD2 LEU 621 -1.686 8.468 -3.766 496 3HD2 LEU 621 3HD2 LEU 621 -2.811 7.364 -4.557 Start of MODEL 10 1 1H GLY 450 1HT GLY 450 15.402 -24.705 -0.908 2 2H GLY 450 2HT GLY 450 16.251 -25.799 0.064 3 3H GLY 450 3HT GLY 450 15.900 -26.193 -1.544 4 1HA GLY 450 1HA GLY 450 18.186 -24.968 -0.562 5 2HA GLY 450 2HA GLY 450 17.774 -25.284 -2.241 6 H SER 451 H SER 451 15.653 -23.594 -2.646 7 HA SER 451 HA SER 451 16.514 -20.926 -1.844 8 1HB SER 451 2HB SER 451 17.108 -22.048 -4.409 9 2HB SER 451 1HB SER 451 15.933 -20.750 -4.620 10 HG SER 451 HG SER 451 18.472 -20.609 -3.368 11 HA PRO 452 HA PRO 452 11.928 -21.346 -1.796 12 1HB PRO 452 2HB PRO 452 11.578 -19.684 0.327 13 2HB PRO 452 1HB PRO 452 11.946 -21.404 0.501 14 1HG PRO 452 2HG PRO 452 13.786 -19.047 0.668 15 2HG PRO 452 1HG PRO 452 13.708 -20.480 1.710 16 1HD PRO 452 2HD PRO 452 15.552 -20.222 -0.244 17 2HD PRO 452 1HD PRO 452 14.861 -21.796 0.202 18 H VAL 453 H VAL 453 12.688 -20.003 -3.848 19 HA VAL 453 HA VAL 453 12.424 -17.150 -3.591 20 HB VAL 453 HB VAL 453 12.580 -17.101 -6.035 21 1HG1 VAL 453 1HG1 VAL 453 14.762 -18.734 -6.026 22 2HG1 VAL 453 2HG1 VAL 453 14.530 -18.434 -4.303 23 3HG1 VAL 453 3HG1 VAL 453 14.735 -17.080 -5.415 24 1HG2 VAL 453 1HG2 VAL 453 11.800 -19.885 -5.742 25 2HG2 VAL 453 2HG2 VAL 453 13.203 -19.683 -6.791 26 3HG2 VAL 453 3HG2 VAL 453 11.705 -18.826 -7.148 27 H ASP 454 H ASP 454 10.309 -19.824 -4.243 28 HA ASP 454 HA ASP 454 8.040 -18.003 -4.283 29 1HB ASP 454 2HB ASP 454 9.025 -18.859 -6.690 30 2HB ASP 454 1HB ASP 454 7.807 -20.083 -6.350 31 H SER 455 H SER 455 8.260 -19.253 -2.129 32 HA SER 455 HA SER 455 7.409 -21.984 -2.107 33 1HB SER 455 2HB SER 455 7.537 -21.855 0.241 34 2HB SER 455 1HB SER 455 8.787 -20.745 -0.318 35 HG SER 455 HG SER 455 6.330 -20.204 0.899 36 H ASN 456 H ASN 456 5.811 -18.920 -2.149 37 HA ASN 456 HA ASN 456 3.226 -20.303 -2.041 38 1HB ASN 456 2HB ASN 456 3.695 -19.262 0.183 39 2HB ASN 456 1HB ASN 456 3.773 -17.694 -0.613 40 1HD2 ASN 456 1HD2 ASN 456 1.751 -20.166 0.620 41 2HD2 ASN 456 2HD2 ASN 456 0.238 -19.394 0.308 42 H ASP 457 H ASP 457 1.933 -19.764 -3.675 43 HA ASP 457 HA ASP 457 2.665 -17.432 -5.306 44 1HB ASP 457 2HB ASP 457 0.838 -19.687 -6.131 45 2HB ASP 457 1HB ASP 457 1.645 -18.514 -7.165 46 H LEU 458 H LEU 458 1.477 -15.675 -5.001 47 HA LEU 458 HA LEU 458 -1.293 -15.972 -4.068 48 1HB LEU 458 2HB LEU 458 0.808 -13.900 -3.715 49 2HB LEU 458 1HB LEU 458 -0.858 -13.355 -3.772 50 HG LEU 458 HG LEU 458 -0.036 -15.553 -1.902 51 1HD1 LEU 458 1HD1 LEU 458 1.483 -13.915 -1.238 52 2HD1 LEU 458 2HD1 LEU 458 0.093 -13.650 -0.186 53 3HD1 LEU 458 3HD1 LEU 458 0.358 -12.600 -1.578 54 1HD2 LEU 458 1HD2 LEU 458 -2.253 -13.512 -1.934 55 2HD2 LEU 458 2HD2 LEU 458 -1.941 -14.627 -0.605 56 3HD2 LEU 458 3HD2 LEU 458 -2.401 -15.250 -2.190 57 H GLY 459 H GLY 459 0.667 -14.059 -6.342 58 1HA GLY 459 2HA GLY 459 0.049 -13.688 -8.602 59 2HA GLY 459 1HA GLY 459 -1.620 -14.028 -8.175 60 HA PRO 460 HA PRO 460 -2.014 -9.593 -8.192 61 1HB PRO 460 2HB PRO 460 -4.617 -9.409 -7.598 62 2HB PRO 460 1HB PRO 460 -4.072 -10.059 -9.149 63 1HG PRO 460 2HG PRO 460 -5.031 -11.509 -6.718 64 2HG PRO 460 1HG PRO 460 -5.365 -11.842 -8.426 65 1HD PRO 460 2HD PRO 460 -3.481 -13.171 -6.902 66 2HD PRO 460 1HD PRO 460 -3.459 -13.071 -8.673 67 H LEU 461 H LEU 461 -0.646 -10.243 -5.994 68 HA LEU 461 HA LEU 461 -0.217 -9.693 -3.828 69 1HB LEU 461 2HB LEU 461 -2.398 -7.671 -3.809 70 2HB LEU 461 1HB LEU 461 -0.757 -7.553 -3.201 71 HG LEU 461 HG LEU 461 -1.380 -7.597 -6.146 72 1HD1 LEU 461 1HD1 LEU 461 -1.989 -5.459 -6.143 73 2HD1 LEU 461 2HD1 LEU 461 -0.670 -5.009 -5.062 74 3HD1 LEU 461 3HD1 LEU 461 -2.190 -5.609 -4.398 75 1HD2 LEU 461 1HD2 LEU 461 0.814 -7.168 -6.478 76 2HD2 LEU 461 2HD2 LEU 461 0.975 -7.967 -4.914 77 3HD2 LEU 461 3HD2 LEU 461 0.962 -6.205 -5.008 78 HA PRO 462 HA PRO 462 -3.061 -11.663 -1.108 79 1HB PRO 462 2HB PRO 462 -2.588 -9.773 1.067 80 2HB PRO 462 1HB PRO 462 -2.079 -11.452 0.922 81 1HG PRO 462 2HG PRO 462 -0.331 -9.395 0.809 82 2HG PRO 462 1HG PRO 462 -0.088 -10.905 -0.087 83 1HD PRO 462 2HD PRO 462 -1.123 -8.268 -1.064 84 2HD PRO 462 1HD PRO 462 0.017 -9.389 -1.841 85 HA PRO 463 HA PRO 463 -6.985 -9.686 -0.708 86 1HB PRO 463 2HB PRO 463 -7.858 -10.282 1.801 87 2HB PRO 463 1HB PRO 463 -7.801 -11.464 0.490 88 1HG PRO 463 2HG PRO 463 -5.871 -11.029 2.734 89 2HG PRO 463 1HG PRO 463 -6.481 -12.552 2.059 90 1HD PRO 463 2HD PRO 463 -4.042 -11.561 1.438 91 2HD PRO 463 1HD PRO 463 -5.009 -12.503 0.285 92 H GLY 464 H GLY 464 -7.603 -7.630 -0.445 93 1HA GLY 464 2HA GLY 464 -7.977 -5.608 0.656 94 2HA GLY 464 1HA GLY 464 -7.049 -6.207 2.021 95 H TRP 465 H TRP 465 -5.040 -6.894 -0.380 96 HA TRP 465 HA TRP 465 -3.549 -4.422 -0.011 97 1HB TRP 465 2HB TRP 465 -2.851 -7.179 -0.977 98 2HB TRP 465 1HB TRP 465 -1.766 -5.826 -1.270 99 HD1 TRP 465 HD TRP 465 -3.121 -7.997 1.558 100 HE1 TRP 465 1HE TRP 465 -1.652 -7.622 3.638 101 HE3 TRP 465 3HE TRP 465 -0.302 -4.096 -0.145 102 HZ2 TRP 465 2HZ TRP 465 0.420 -5.897 4.440 103 HZ3 TRP 465 3HZ TRP 465 1.404 -3.134 1.347 104 HH2 TRP 465 HH TRP 465 1.755 -4.019 3.597 105 H GLU 466 H GLU 466 -2.371 -3.505 -1.880 106 HA GLU 466 HA GLU 466 -3.593 -3.906 -4.486 107 1HB GLU 466 2HB GLU 466 -4.284 -1.710 -2.714 108 2HB GLU 466 1HB GLU 466 -3.617 -1.131 -4.233 109 1HG GLU 466 2HG GLU 466 -5.668 -3.245 -4.418 110 2HG GLU 466 1HG GLU 466 -6.209 -1.660 -3.867 111 H GLU 467 H GLU 467 -2.274 -3.348 -6.165 112 HA GLU 467 HA GLU 467 0.451 -2.578 -5.453 113 1HB GLU 467 2HB GLU 467 1.067 -3.349 -7.667 114 2HB GLU 467 1HB GLU 467 0.082 -4.571 -6.876 115 1HG GLU 467 2HG GLU 467 -1.777 -3.066 -8.219 116 2HG GLU 467 1HG GLU 467 -0.400 -3.070 -9.319 117 H ARG 468 H ARG 468 0.615 -0.408 -5.269 118 HA ARG 468 HA ARG 468 -0.516 1.254 -7.421 119 1HB ARG 468 2HB ARG 468 -0.055 1.705 -4.516 120 2HB ARG 468 1HB ARG 468 0.125 3.087 -5.588 121 1HG ARG 468 2HG ARG 468 -2.302 1.531 -6.061 122 2HG ARG 468 1HG ARG 468 -2.207 2.255 -4.453 123 1HD ARG 468 2HD ARG 468 -3.304 3.782 -5.974 124 2HD ARG 468 1HD ARG 468 -1.741 4.439 -5.491 125 HE ARG 468 HE ARG 468 -1.014 4.248 -7.665 126 1HH1 ARG 468 1HH1 ARG 468 -4.020 2.530 -7.281 127 2HH1 ARG 468 2HH1 ARG 468 -4.248 2.288 -8.981 128 1HH2 ARG 468 1HH2 ARG 468 -1.307 3.936 -9.905 129 2HH2 ARG 468 2HH2 ARG 468 -2.706 3.087 -10.472 130 H THR 469 H THR 469 0.763 2.722 -8.513 131 HA THR 469 HA THR 469 3.588 2.120 -8.533 132 HB THR 469 HB THR 469 2.480 2.426 -10.666 133 HG1 THR 469 1HG THR 469 3.975 3.863 -11.540 134 1HG2 THR 469 1HG2 THR 469 2.053 5.174 -10.883 135 2HG2 THR 469 2HG2 THR 469 1.335 4.723 -9.337 136 3HG2 THR 469 3HG2 THR 469 0.822 3.914 -10.818 137 H HIS 470 H HIS 470 5.164 3.255 -7.609 138 HA HIS 470 HA HIS 470 4.519 5.503 -5.940 139 1HB HIS 470 2HB HIS 470 6.215 3.696 -5.394 140 2HB HIS 470 1HB HIS 470 7.275 4.448 -6.581 141 HD2 HIS 470 2HD HIS 470 8.881 6.326 -5.563 142 HE1 HIS 470 1HE HIS 470 6.671 7.078 -2.032 143 HE2 HIS 470 2HE HIS 470 8.709 7.734 -3.391 144 H THR 471 H THR 471 5.792 7.535 -6.018 145 HA THR 471 HA THR 471 5.482 8.857 -8.448 146 HB THR 471 HB THR 471 7.388 9.657 -6.241 147 HG1 THR 471 1HG THR 471 5.444 9.490 -5.246 148 1HG2 THR 471 1HG2 THR 471 6.354 11.951 -7.199 149 2HG2 THR 471 2HG2 THR 471 6.332 10.975 -8.667 150 3HG2 THR 471 3HG2 THR 471 7.848 11.236 -7.803 151 H ASP 472 H ASP 472 8.078 6.891 -7.299 152 HA ASP 472 HA ASP 472 9.965 7.893 -9.271 153 1HB ASP 472 2HB ASP 472 10.150 5.772 -7.134 154 2HB ASP 472 1HB ASP 472 11.439 6.066 -8.296 155 H GLY 473 H GLY 473 7.490 5.583 -9.171 156 1HA GLY 473 2HA GLY 473 6.896 4.523 -11.268 157 2HA GLY 473 1HA GLY 473 8.611 4.291 -11.571 158 H ARG 474 H ARG 474 8.785 3.531 -8.577 159 HA ARG 474 HA ARG 474 8.517 0.705 -9.022 160 1HB ARG 474 2HB ARG 474 9.538 2.438 -6.813 161 2HB ARG 474 1HB ARG 474 9.130 0.767 -6.446 162 1HG ARG 474 2HG ARG 474 11.051 0.070 -7.289 163 2HG ARG 474 1HG ARG 474 10.702 0.856 -8.831 164 1HD ARG 474 2HD ARG 474 11.397 3.007 -7.406 165 2HD ARG 474 1HD ARG 474 12.335 1.790 -6.543 166 HE ARG 474 HE ARG 474 12.665 1.607 -9.374 167 1HH1 ARG 474 1HH1 ARG 474 13.699 3.324 -6.526 168 2HH1 ARG 474 2HH1 ARG 474 15.229 3.781 -7.199 169 1HH2 ARG 474 1HH2 ARG 474 14.678 2.200 -10.268 170 2HH2 ARG 474 2HH2 ARG 474 15.785 3.142 -9.326 171 H VAL 475 H VAL 475 6.746 -0.466 -8.676 172 HA VAL 475 HA VAL 475 4.434 0.713 -7.441 173 HB VAL 475 HB VAL 475 4.293 -0.784 -9.412 174 1HG1 VAL 475 1HG1 VAL 475 4.698 -3.102 -9.307 175 2HG1 VAL 475 2HG1 VAL 475 4.789 -3.101 -7.543 176 3HG1 VAL 475 3HG1 VAL 475 6.071 -2.358 -8.493 177 1HG2 VAL 475 1HG2 VAL 475 2.748 -1.526 -6.920 178 2HG2 VAL 475 2HG2 VAL 475 2.322 -2.107 -8.533 179 3HG2 VAL 475 3HG2 VAL 475 2.298 -0.384 -8.182 180 H PHE 476 H PHE 476 4.245 0.837 -5.316 181 HA PHE 476 HA PHE 476 5.487 -1.148 -3.587 182 1HB PHE 476 2HB PHE 476 4.901 0.357 -1.761 183 2HB PHE 476 1HB PHE 476 5.708 1.250 -3.045 184 HD1 PHE 476 1HD PHE 476 2.534 0.663 -1.326 185 HD2 PHE 476 2HD PHE 476 4.536 2.898 -4.343 186 HE1 PHE 476 1HE PHE 476 0.640 2.234 -1.414 187 HE2 PHE 476 2HE PHE 476 2.649 4.476 -4.434 188 HZ PHE 476 HZ PHE 476 0.698 4.144 -2.967 189 H PHE 477 H PHE 477 4.086 -1.686 -1.554 190 HA PHE 477 HA PHE 477 1.512 -2.711 -2.545 191 1HB PHE 477 2HB PHE 477 3.280 -3.692 -0.294 192 2HB PHE 477 1HB PHE 477 1.710 -4.377 -0.700 193 HD1 PHE 477 1HD PHE 477 1.655 -6.217 -2.072 194 HD2 PHE 477 2HD PHE 477 4.961 -3.552 -2.327 195 HE1 PHE 477 1HE PHE 477 2.730 -7.714 -3.704 196 HE2 PHE 477 2HE PHE 477 6.043 -5.043 -3.959 197 HZ PHE 477 HZ PHE 477 4.928 -7.127 -4.648 198 H ILE 478 H ILE 478 -0.368 -2.495 -1.284 199 HA ILE 478 HA ILE 478 -0.205 -0.949 1.179 200 HB ILE 478 HB ILE 478 -0.393 0.734 -0.651 201 1HG1 ILE 478 2HG1 ILE 478 -2.710 0.453 1.264 202 2HG1 ILE 478 1HG1 ILE 478 -1.246 1.402 1.479 203 1HG2 ILE 478 1HG2 ILE 478 -2.172 0.851 -2.127 204 2HG2 ILE 478 2HG2 ILE 478 -3.182 -0.208 -1.143 205 3HG2 ILE 478 3HG2 ILE 478 -1.828 -0.877 -2.054 206 1HD1 ILE 478 1HD1 ILE 478 -2.386 3.165 0.751 207 2HD1 ILE 478 2HD1 ILE 478 -3.758 2.154 0.294 208 3HD1 ILE 478 3HD1 ILE 478 -2.435 2.411 -0.844 209 H ASN 479 H ASN 479 -1.581 -1.746 2.633 210 HA ASN 479 HA ASN 479 -3.685 -3.552 1.716 211 1HB ASN 479 2HB ASN 479 -3.724 -4.445 3.919 212 2HB ASN 479 1HB ASN 479 -2.029 -4.222 3.509 213 1HD2 ASN 479 1HD2 ASN 479 -2.699 -4.506 6.094 214 2HD2 ASN 479 2HD2 ASN 479 -2.536 -3.009 6.937 215 H HIS 480 H HIS 480 -5.846 -3.375 2.399 216 HA HIS 480 HA HIS 480 -6.656 -0.619 2.957 217 1HB HIS 480 2HB HIS 480 -8.049 -2.988 1.748 218 2HB HIS 480 1HB HIS 480 -8.975 -1.621 2.359 219 HD2 HIS 480 2HD HIS 480 -5.702 -1.519 0.154 220 HE1 HIS 480 1HE HIS 480 -8.830 0.592 -1.762 221 HE2 HIS 480 2HE HIS 480 -6.348 0.079 -1.785 222 H ASN 481 H ASN 481 -6.362 -3.616 4.546 223 HA ASN 481 HA ASN 481 -8.517 -3.680 6.280 224 1HB ASN 481 2HB ASN 481 -5.750 -4.305 7.277 225 2HB ASN 481 1HB ASN 481 -7.269 -5.110 7.655 226 1HD2 ASN 481 1HD2 ASN 481 -4.570 -4.961 5.578 227 2HD2 ASN 481 2HD2 ASN 481 -4.984 -6.294 4.564 228 H ILE 482 H ILE 482 -5.433 -1.965 6.688 229 HA ILE 482 HA ILE 482 -6.781 -0.157 8.572 230 HB ILE 482 HB ILE 482 -4.457 -0.052 9.740 231 1HG1 ILE 482 2HG1 ILE 482 -4.373 -2.859 8.614 232 2HG1 ILE 482 1HG1 ILE 482 -3.357 -1.533 8.057 233 1HG2 ILE 482 1HG2 ILE 482 -6.172 -2.487 10.182 234 2HG2 ILE 482 2HG2 ILE 482 -6.619 -0.860 10.696 235 3HG2 ILE 482 3HG2 ILE 482 -5.185 -1.636 11.370 236 1HD1 ILE 482 1HD1 ILE 482 -3.299 -2.978 10.673 237 2HD1 ILE 482 2HD1 ILE 482 -2.595 -1.370 10.503 238 3HD1 ILE 482 3HD1 ILE 482 -1.994 -2.704 9.518 239 H LYS 483 H LYS 483 -5.983 -0.016 5.701 240 HA LYS 483 HA LYS 483 -4.854 1.332 4.225 241 1HB LYS 483 2HB LYS 483 -5.726 3.238 6.394 242 2HB LYS 483 1HB LYS 483 -5.067 3.773 4.855 243 1HG LYS 483 2HG LYS 483 -7.506 3.838 4.876 244 2HG LYS 483 1HG LYS 483 -6.894 2.702 3.672 245 1HD LYS 483 2HD LYS 483 -7.692 0.884 4.783 246 2HD LYS 483 1HD LYS 483 -7.478 1.625 6.370 247 1HE LYS 483 2HE LYS 483 -9.537 2.558 6.360 248 2HE LYS 483 1HE LYS 483 -9.500 2.875 4.625 249 1HZ LYS 483 1HZ LYS 483 -10.219 0.373 6.022 250 2HZ LYS 483 2HZ LYS 483 -9.765 0.366 4.392 251 3HZ LYS 483 3HZ LYS 483 -11.121 1.247 4.888 252 H LYS 484 H LYS 484 -2.767 0.320 4.603 253 HA LYS 484 HA LYS 484 -0.807 2.274 5.475 254 1HB LYS 484 2HB LYS 484 -1.597 0.400 7.311 255 2HB LYS 484 1HB LYS 484 -0.209 -0.384 6.572 256 1HG LYS 484 2HG LYS 484 0.995 1.859 6.989 257 2HG LYS 484 1HG LYS 484 -0.330 2.175 8.113 258 1HD LYS 484 2HD LYS 484 0.198 0.149 9.342 259 2HD LYS 484 1HD LYS 484 1.467 -0.250 8.184 260 1HE LYS 484 2HE LYS 484 1.552 2.380 9.585 261 2HE LYS 484 1HE LYS 484 2.039 0.929 10.460 262 1HZ LYS 484 1HZ LYS 484 3.183 1.813 7.866 263 2HZ LYS 484 2HZ LYS 484 3.683 0.478 8.776 264 3HZ LYS 484 3HZ LYS 484 3.910 2.042 9.376 265 H THR 485 H THR 485 0.689 2.352 3.947 266 HA THR 485 HA THR 485 1.088 0.020 2.220 267 HB THR 485 HB THR 485 0.704 1.819 0.809 268 HG1 THR 485 1HG THR 485 3.500 2.162 1.027 269 1HG2 THR 485 1HG2 THR 485 0.604 3.685 2.215 270 2HG2 THR 485 2HG2 THR 485 1.979 4.033 1.167 271 3HG2 THR 485 3HG2 THR 485 2.248 3.446 2.808 272 H GLN 486 H GLN 486 3.336 -0.377 1.434 273 HA GLN 486 HA GLN 486 5.514 0.447 3.130 274 1HB GLN 486 2HB GLN 486 6.072 -1.991 3.674 275 2HB GLN 486 1HB GLN 486 4.773 -1.241 4.595 276 1HG GLN 486 2HG GLN 486 3.136 -2.470 3.551 277 2HG GLN 486 1HG GLN 486 4.125 -2.766 2.122 278 1HE2 GLN 486 1HE2 GLN 486 5.463 -4.496 2.061 279 2HE2 GLN 486 2HE2 GLN 486 5.520 -5.707 3.289 280 H TRP 487 H TRP 487 7.557 -0.116 2.282 281 HA TRP 487 HA TRP 487 7.606 -0.413 -0.554 282 1HB TRP 487 2HB TRP 487 9.593 0.049 1.595 283 2HB TRP 487 1HB TRP 487 10.201 -0.701 0.122 284 HD1 TRP 487 HD TRP 487 10.245 2.521 1.465 285 HE1 TRP 487 1HE TRP 487 10.056 4.383 -0.302 286 HE3 TRP 487 3HE TRP 487 8.431 -0.242 -2.434 287 HZ2 TRP 487 2HZ TRP 487 9.246 4.645 -2.993 288 HZ3 TRP 487 3HZ TRP 487 7.973 0.890 -4.570 289 HH2 TRP 487 HH TRP 487 8.373 3.283 -4.842 290 H GLU 488 H GLU 488 8.539 -2.496 2.156 291 HA GLU 488 HA GLU 488 9.605 -4.601 0.637 292 1HB GLU 488 2HB GLU 488 9.319 -4.056 3.320 293 2HB GLU 488 1HB GLU 488 8.244 -5.430 3.095 294 1HG GLU 488 2HG GLU 488 9.937 -6.866 2.688 295 2HG GLU 488 1HG GLU 488 10.923 -5.649 1.879 296 H ASP 489 H ASP 489 8.683 -6.773 0.378 297 HA ASP 489 HA ASP 489 5.963 -6.584 -0.643 298 1HB ASP 489 2HB ASP 489 8.176 -8.598 -0.975 299 2HB ASP 489 1HB ASP 489 6.533 -8.935 -1.513 300 HA PRO 490 HA PRO 490 4.673 -8.573 3.214 301 1HB PRO 490 2HB PRO 490 2.011 -8.316 2.797 302 2HB PRO 490 1HB PRO 490 3.021 -6.974 3.349 303 1HG PRO 490 2HG PRO 490 2.050 -7.597 0.585 304 2HG PRO 490 1HG PRO 490 2.090 -6.039 1.427 305 1HD PRO 490 2HD PRO 490 3.960 -6.753 -0.390 306 2HD PRO 490 1HD PRO 490 4.337 -5.728 1.009 307 H ARG 491 H ARG 491 3.514 -9.295 -0.028 308 HA ARG 491 HA ARG 491 2.332 -11.804 0.660 309 1HB ARG 491 2HB ARG 491 2.400 -12.138 -1.869 310 2HB ARG 491 1HB ARG 491 1.454 -10.784 -1.267 311 1HG ARG 491 2HG ARG 491 2.975 -9.213 -2.021 312 2HG ARG 491 1HG ARG 491 4.296 -10.382 -2.097 313 1HD ARG 491 2HD ARG 491 1.903 -10.242 -3.926 314 2HD ARG 491 1HD ARG 491 3.564 -9.811 -4.333 315 HE ARG 491 HE ARG 491 3.486 -12.476 -3.441 316 1HH1 ARG 491 1HH1 ARG 491 2.506 -10.511 -6.144 317 2HH1 ARG 491 2HH1 ARG 491 2.596 -11.810 -7.286 318 1HH2 ARG 491 1HH2 ARG 491 3.606 -14.193 -4.935 319 2HH2 ARG 491 2HH2 ARG 491 3.221 -13.904 -6.599 320 H MET 492 H MET 492 5.552 -10.797 0.226 321 HA MET 492 HA MET 492 6.535 -13.338 -0.735 322 1HB MET 492 2HB MET 492 7.507 -10.811 -0.902 323 2HB MET 492 1HB MET 492 8.434 -11.419 0.463 324 1HG MET 492 2HG MET 492 8.265 -12.760 -2.224 325 2HG MET 492 1HG MET 492 9.570 -11.692 -1.710 326 1HE MET 492 1HE MET 492 11.538 -12.852 -1.747 327 2HE MET 492 2HE MET 492 12.028 -14.146 -0.654 328 3HE MET 492 3HE MET 492 11.610 -12.559 -0.009 329 H GLN 493 H GLN 493 6.208 -11.651 2.318 330 HA GLN 493 HA GLN 493 7.845 -13.449 3.817 331 1HB GLN 493 2HB GLN 493 6.187 -11.102 4.350 332 2HB GLN 493 1HB GLN 493 6.100 -12.304 5.632 333 1HG GLN 493 2HG GLN 493 8.604 -11.029 4.550 334 2HG GLN 493 1HG GLN 493 7.829 -10.678 6.094 335 1HE2 GLN 493 1HE2 GLN 493 10.464 -11.420 5.969 336 2HE2 GLN 493 2HE2 GLN 493 10.657 -12.992 6.660 337 H ASN 494 H ASN 494 4.313 -12.967 3.690 338 HA ASN 494 HA ASN 494 2.575 -14.409 3.960 339 1HB ASN 494 2HB ASN 494 4.634 -15.962 2.746 340 2HB ASN 494 1HB ASN 494 3.836 -16.965 3.955 341 1HD2 ASN 494 1HD2 ASN 494 3.495 -15.261 0.964 342 2HD2 ASN 494 2HD2 ASN 494 1.956 -15.911 0.529 343 H VAL 495 H VAL 495 5.078 -16.467 5.392 344 HA VAL 495 HA VAL 495 5.322 -17.346 7.477 345 HB VAL 495 HB VAL 495 3.919 -14.958 8.636 346 1HG1 VAL 495 1HG1 VAL 495 5.521 -15.235 10.426 347 2HG1 VAL 495 2HG1 VAL 495 6.348 -16.508 9.528 348 3HG1 VAL 495 3HG1 VAL 495 4.706 -16.768 10.117 349 1HG2 VAL 495 1HG2 VAL 495 6.130 -13.779 8.547 350 2HG2 VAL 495 2HG2 VAL 495 5.328 -13.963 6.987 351 3HG2 VAL 495 3HG2 VAL 495 6.674 -15.018 7.416 352 H ALA 496 H ALA 496 3.834 -19.025 7.063 353 HA ALA 496 HA ALA 496 1.040 -18.746 7.612 354 1HB ALA 496 1HB ALA 496 2.627 -21.312 7.433 355 2HB ALA 496 2HB ALA 496 1.909 -20.466 6.057 356 3HB ALA 496 3HB ALA 496 0.877 -21.138 7.318 357 H ILE 497 H ILE 497 -0.090 -20.115 9.252 358 HA ILE 497 HA ILE 497 1.049 -19.583 11.851 359 HB ILE 497 HB ILE 497 -1.086 -20.368 12.746 360 1HG1 ILE 497 2HG1 ILE 497 -1.911 -20.873 9.881 361 2HG1 ILE 497 1HG1 ILE 497 -1.405 -22.149 10.986 362 1HG2 ILE 497 1HG2 ILE 497 -0.975 -18.067 12.101 363 2HG2 ILE 497 2HG2 ILE 497 -2.555 -18.692 11.626 364 3HG2 ILE 497 3HG2 ILE 497 -1.293 -18.472 10.414 365 1HD1 ILE 497 1HD1 ILE 497 -3.261 -21.685 12.446 366 2HD1 ILE 497 2HD1 ILE 497 -3.853 -21.938 10.805 367 3HD1 ILE 497 3HD1 ILE 497 -3.738 -20.303 11.459 368 H THR 498 H THR 498 0.647 -22.304 9.745 369 HA THR 498 HA THR 498 1.439 -24.151 11.889 370 HB THR 498 HB THR 498 0.959 -25.809 9.824 371 HG1 THR 498 1HG THR 498 -1.044 -24.893 8.861 372 1HG2 THR 498 1HG2 THR 498 -1.509 -24.889 11.157 373 2HG2 THR 498 2HG2 THR 498 -0.178 -25.332 12.225 374 3HG2 THR 498 3HG2 THR 498 -0.804 -26.503 11.064 375 H GLY 499 H GLY 499 3.276 -25.395 11.737 376 1HA GLY 499 2HA GLY 499 4.969 -25.053 9.361 377 2HA GLY 499 1HA GLY 499 5.626 -24.634 10.937 378 1H GLY 605 1HT GLY 605 16.542 -3.647 -3.140 379 2H GLY 605 2HT GLY 605 15.348 -4.558 -3.916 380 3H GLY 605 3HT GLY 605 16.328 -3.513 -4.813 381 1HA GLY 605 1HA GLY 605 17.236 -5.950 -3.382 382 2HA GLY 605 2HA GLY 605 17.018 -5.807 -5.119 383 H SER 606 H SER 606 19.083 -5.191 -2.440 384 HA SER 606 HA SER 606 21.305 -4.695 -2.341 385 1HB SER 606 2HB SER 606 21.078 -5.875 -4.788 386 2HB SER 606 1HB SER 606 21.705 -4.289 -5.235 387 HG SER 606 HG SER 606 23.373 -5.801 -4.785 388 H THR 607 H THR 607 20.134 -2.894 -5.191 389 HA THR 607 HA THR 607 21.504 -0.515 -4.474 390 HB THR 607 HB THR 607 20.117 0.560 -6.250 391 HG1 THR 607 1HG THR 607 18.220 -0.582 -6.196 392 1HG2 THR 607 1HG2 THR 607 21.755 -0.154 -7.579 393 2HG2 THR 607 2HG2 THR 607 20.877 -1.663 -7.833 394 3HG2 THR 607 3HG2 THR 607 22.040 -1.532 -6.515 395 H LEU 608 H LEU 608 18.278 -1.728 -3.850 396 HA LEU 608 HA LEU 608 17.684 0.749 -2.368 397 1HB LEU 608 2HB LEU 608 16.212 0.297 -4.327 398 2HB LEU 608 1HB LEU 608 15.705 -1.195 -3.557 399 HG LEU 608 HG LEU 608 15.354 1.122 -1.824 400 1HD1 LEU 608 1HD1 LEU 608 13.936 2.424 -3.022 401 2HD1 LEU 608 2HD1 LEU 608 13.393 1.090 -4.040 402 3HD1 LEU 608 3HD1 LEU 608 14.949 1.859 -4.351 403 1HD2 LEU 608 1HD2 LEU 608 14.097 -1.397 -2.477 404 2HD2 LEU 608 2HD2 LEU 608 12.914 -0.094 -2.354 405 3HD2 LEU 608 3HD2 LEU 608 13.995 -0.434 -1.002 406 HA PRO 609 HA PRO 609 17.842 -2.803 0.654 407 1HB PRO 609 2HB PRO 609 19.753 -1.850 2.281 408 2HB PRO 609 1HB PRO 609 20.149 -2.713 0.790 409 1HG PRO 609 2HG PRO 609 20.114 0.233 1.322 410 2HG PRO 609 1HG PRO 609 21.308 -0.729 0.432 411 1HD PRO 609 2HD PRO 609 19.333 0.732 -0.775 412 2HD PRO 609 1HD PRO 609 20.064 -0.717 -1.492 413 H ILE 610 H ILE 610 17.918 0.697 1.143 414 HA ILE 610 HA ILE 610 15.743 0.478 3.058 415 HB ILE 610 HB ILE 610 17.074 2.195 4.543 416 1HG1 ILE 610 2HG1 ILE 610 19.314 0.587 3.298 417 2HG1 ILE 610 1HG1 ILE 610 19.028 2.308 3.053 418 1HG2 ILE 610 1HG2 ILE 610 17.366 -0.797 4.592 419 2HG2 ILE 610 2HG2 ILE 610 16.314 0.231 5.568 420 3HG2 ILE 610 3HG2 ILE 610 18.053 0.231 5.849 421 1HD1 ILE 610 1HD1 ILE 610 20.543 2.525 4.684 422 2HD1 ILE 610 2HD1 ILE 610 20.265 0.897 5.305 423 3HD1 ILE 610 3HD1 ILE 610 19.170 2.208 5.744 424 HA PRO 611 HA PRO 611 15.102 3.900 0.034 425 1HB PRO 611 2HB PRO 611 12.425 3.559 1.306 426 2HB PRO 611 1HB PRO 611 12.842 3.769 -0.398 427 1HG PRO 611 2HG PRO 611 12.160 1.375 0.533 428 2HG PRO 611 1HG PRO 611 13.464 1.546 -0.658 429 1HD PRO 611 2HD PRO 611 13.630 1.025 2.277 430 2HD PRO 611 1HD PRO 611 14.656 0.417 0.961 431 H GLY 612 H GLY 612 13.378 3.817 3.169 432 1HA GLY 612 2HA GLY 612 14.449 5.497 4.801 433 2HA GLY 612 1HA GLY 612 14.091 6.651 3.527 434 H THR 613 H THR 613 11.736 6.659 2.810 435 HA THR 613 HA THR 613 10.015 6.353 5.181 436 HB THR 613 HB THR 613 8.819 8.315 4.620 437 HG1 THR 613 1HG THR 613 8.913 9.272 2.649 438 1HG2 THR 613 1HG2 THR 613 10.962 8.785 5.677 439 2HG2 THR 613 2HG2 THR 613 10.555 10.060 4.530 440 3HG2 THR 613 3HG2 THR 613 11.749 8.836 4.099 441 HA PRO 614 HA PRO 614 7.551 3.520 2.815 442 1HB PRO 614 2HB PRO 614 5.284 4.675 4.352 443 2HB PRO 614 1HB PRO 614 5.793 2.991 4.190 444 1HG PRO 614 2HG PRO 614 6.249 4.340 6.441 445 2HG PRO 614 1HG PRO 614 7.444 3.195 5.804 446 1HD PRO 614 2HD PRO 614 7.437 6.184 5.706 447 2HD PRO 614 1HD PRO 614 8.794 5.064 5.947 448 HA PRO 615 HA PRO 615 5.816 5.702 -0.608 449 1HB PRO 615 2HB PRO 615 3.570 3.749 -0.436 450 2HB PRO 615 1HB PRO 615 4.585 4.179 -1.818 451 1HG PRO 615 2HG PRO 615 4.956 1.881 -0.531 452 2HG PRO 615 1HG PRO 615 6.335 2.824 -1.126 453 1HD PRO 615 2HD PRO 615 5.301 2.526 1.658 454 2HD PRO 615 1HD PRO 615 6.973 2.690 1.084 455 HA PRO 616 HA PRO 616 2.595 8.496 0.509 456 1HB PRO 616 2HB PRO 616 0.896 7.572 -1.747 457 2HB PRO 616 1HB PRO 616 1.485 9.195 -1.371 458 1HG PRO 616 2HG PRO 616 2.550 7.793 -3.370 459 2HG PRO 616 1HG PRO 616 3.564 8.806 -2.325 460 1HD PRO 616 2HD PRO 616 3.207 5.837 -2.320 461 2HD PRO 616 1HD PRO 616 4.679 6.797 -2.062 462 H ASN 617 H ASN 617 1.248 8.269 2.166 463 HA ASN 617 HA ASN 617 -0.008 5.877 2.889 464 1HB ASN 617 2HB ASN 617 0.410 8.344 4.074 465 2HB ASN 617 1HB ASN 617 -1.343 8.261 3.925 466 1HD2 ASN 617 1HD2 ASN 617 -2.326 6.187 4.679 467 2HD2 ASN 617 2HD2 ASN 617 -1.679 5.486 6.119 468 H TYR 618 H TYR 618 -2.229 5.291 2.933 469 HA TYR 618 HA TYR 618 -3.601 5.715 0.518 470 1HB TYR 618 2HB TYR 618 -3.956 3.693 1.804 471 2HB TYR 618 1HB TYR 618 -4.581 4.620 3.162 472 HD1 TYR 618 1HD TYR 618 -5.274 3.713 -0.371 473 HD2 TYR 618 2HD TYR 618 -6.870 5.132 3.308 474 HE1 TYR 618 1HE TYR 618 -7.548 3.489 -1.279 475 HE2 TYR 618 2HE TYR 618 -9.149 4.910 2.411 476 HH TYR 618 HH TYR 618 -10.195 3.310 0.417 477 H ASP 619 H ASP 619 -3.984 7.150 3.722 478 HA ASP 619 HA ASP 619 -6.349 8.588 3.174 479 1HB ASP 619 2HB ASP 619 -4.137 9.141 5.164 480 2HB ASP 619 1HB ASP 619 -5.689 9.973 5.142 481 H SER 620 H SER 620 -3.031 9.133 2.370 482 HA SER 620 HA SER 620 -3.471 11.928 1.690 483 1HB SER 620 2HB SER 620 -1.265 10.604 2.606 484 2HB SER 620 1HB SER 620 -0.934 10.667 0.875 485 HG SER 620 HG SER 620 -0.451 12.555 2.518 486 H LEU 621 H LEU 621 -3.457 8.829 0.178 487 HA LEU 621 HA LEU 621 -2.916 9.705 -2.481 488 1HB LEU 621 2HB LEU 621 -3.823 7.205 -1.175 489 2HB LEU 621 1HB LEU 621 -4.258 7.403 -2.862 490 HG LEU 621 HG LEU 621 -1.466 7.398 -1.717 491 1HD1 LEU 621 1HD1 LEU 621 -1.934 5.183 -1.861 492 2HD1 LEU 621 2HD1 LEU 621 -1.460 5.462 -3.536 493 3HD1 LEU 621 3HD1 LEU 621 -3.168 5.408 -3.100 494 1HD2 LEU 621 1HD2 LEU 621 -1.495 7.248 -4.547 495 2HD2 LEU 621 2HD2 LEU 621 -0.780 8.490 -3.520 496 3HD2 LEU 621 3HD2 LEU 621 -2.449 8.650 -4.067 Start of MODEL 11 1 1H GLY 450 1HT GLY 450 12.517 -23.678 -12.504 2 2H GLY 450 2HT GLY 450 12.652 -23.542 -10.823 3 3H GLY 450 3HT GLY 450 12.029 -24.957 -11.509 4 1HA GLY 450 1HA GLY 450 14.041 -25.783 -12.059 5 2HA GLY 450 2HA GLY 450 14.694 -24.182 -12.378 6 H SER 451 H SER 451 14.371 -22.843 -10.072 7 HA SER 451 HA SER 451 15.802 -24.484 -8.087 8 1HB SER 451 2HB SER 451 16.422 -21.722 -7.723 9 2HB SER 451 1HB SER 451 17.508 -23.039 -8.167 10 HG SER 451 HG SER 451 17.214 -22.586 -10.281 11 HA PRO 452 HA PRO 452 12.861 -23.269 -5.041 12 1HB PRO 452 2HB PRO 452 14.379 -22.869 -2.830 13 2HB PRO 452 1HB PRO 452 14.072 -24.474 -3.502 14 1HG PRO 452 2HG PRO 452 16.473 -22.714 -3.821 15 2HG PRO 452 1HG PRO 452 16.397 -24.462 -3.526 16 1HD PRO 452 2HD PRO 452 16.848 -23.414 -5.983 17 2HD PRO 452 1HD PRO 452 15.985 -24.946 -5.741 18 H VAL 453 H VAL 453 12.043 -21.306 -5.746 19 HA VAL 453 HA VAL 453 12.835 -18.995 -4.210 20 HB VAL 453 HB VAL 453 12.887 -18.731 -7.216 21 1HG1 VAL 453 1HG1 VAL 453 13.421 -16.527 -6.908 22 2HG1 VAL 453 2HG1 VAL 453 14.149 -16.809 -5.326 23 3HG1 VAL 453 3HG1 VAL 453 12.393 -16.796 -5.500 24 1HG2 VAL 453 1HG2 VAL 453 15.337 -18.515 -7.017 25 2HG2 VAL 453 2HG2 VAL 453 14.762 -20.125 -6.589 26 3HG2 VAL 453 3HG2 VAL 453 15.222 -18.988 -5.322 27 H ASP 454 H ASP 454 10.990 -19.915 -7.125 28 HA ASP 454 HA ASP 454 8.800 -18.186 -6.305 29 1HB ASP 454 2HB ASP 454 7.786 -18.880 -8.478 30 2HB ASP 454 1HB ASP 454 9.374 -18.141 -8.650 31 H SER 455 H SER 455 8.973 -19.965 -4.389 32 HA SER 455 HA SER 455 7.525 -22.383 -4.859 33 1HB SER 455 2HB SER 455 7.917 -21.085 -2.164 34 2HB SER 455 1HB SER 455 7.771 -22.802 -2.542 35 HG SER 455 HG SER 455 9.909 -22.500 -2.282 36 H ASN 456 H ASN 456 6.725 -19.358 -3.151 37 HA ASN 456 HA ASN 456 3.931 -20.125 -3.001 38 1HB ASN 456 2HB ASN 456 3.631 -18.066 -1.730 39 2HB ASN 456 1HB ASN 456 5.013 -18.959 -1.105 40 1HD2 ASN 456 1HD2 ASN 456 4.007 -16.208 -3.012 41 2HD2 ASN 456 2HD2 ASN 456 5.488 -15.329 -2.879 42 H ASP 457 H ASP 457 2.268 -18.439 -3.629 43 HA ASP 457 HA ASP 457 2.810 -16.516 -5.612 44 1HB ASP 457 2HB ASP 457 1.959 -17.623 -7.602 45 2HB ASP 457 1HB ASP 457 3.332 -18.522 -6.964 46 H LEU 458 H LEU 458 1.267 -15.112 -5.131 47 HA LEU 458 HA LEU 458 -1.418 -16.113 -4.469 48 1HB LEU 458 2HB LEU 458 0.015 -13.556 -3.781 49 2HB LEU 458 1HB LEU 458 -1.715 -13.742 -3.568 50 HG LEU 458 HG LEU 458 0.400 -15.423 -2.219 51 1HD1 LEU 458 1HD1 LEU 458 -1.402 -13.298 -1.070 52 2HD1 LEU 458 2HD1 LEU 458 0.313 -13.092 -1.420 53 3HD1 LEU 458 3HD1 LEU 458 -0.203 -14.253 -0.197 54 1HD2 LEU 458 1HD2 LEU 458 -1.651 -16.064 -0.811 55 2HD2 LEU 458 2HD2 LEU 458 -1.472 -16.804 -2.402 56 3HD2 LEU 458 3HD2 LEU 458 -2.599 -15.467 -2.174 57 H GLY 459 H GLY 459 0.376 -13.934 -6.549 58 1HA GLY 459 2HA GLY 459 -0.286 -13.379 -8.743 59 2HA GLY 459 1HA GLY 459 -1.940 -13.792 -8.326 60 HA PRO 460 HA PRO 460 -2.496 -9.371 -8.183 61 1HB PRO 460 2HB PRO 460 -5.043 -9.323 -7.277 62 2HB PRO 460 1HB PRO 460 -4.634 -9.776 -8.936 63 1HG PRO 460 2HG PRO 460 -5.257 -11.532 -6.592 64 2HG PRO 460 1HG PRO 460 -5.808 -11.672 -8.272 65 1HD PRO 460 2HD PRO 460 -3.772 -13.155 -7.259 66 2HD PRO 460 1HD PRO 460 -3.851 -12.665 -8.962 67 H LEU 461 H LEU 461 -0.893 -10.035 -6.173 68 HA LEU 461 HA LEU 461 -0.262 -9.564 -4.040 69 1HB LEU 461 2HB LEU 461 -2.479 -7.602 -3.735 70 2HB LEU 461 1HB LEU 461 -0.793 -7.463 -3.275 71 HG LEU 461 HG LEU 461 -1.628 -7.450 -6.162 72 1HD1 LEU 461 1HD1 LEU 461 -1.223 -4.970 -4.518 73 2HD1 LEU 461 2HD1 LEU 461 -2.818 -5.676 -4.782 74 3HD1 LEU 461 3HD1 LEU 461 -1.864 -5.115 -6.156 75 1HD2 LEU 461 1HD2 LEU 461 0.837 -7.490 -4.870 76 2HD2 LEU 461 2HD2 LEU 461 0.620 -5.817 -5.385 77 3HD2 LEU 461 3HD2 LEU 461 0.532 -7.123 -6.567 78 HA PRO 462 HA PRO 462 -2.667 -11.704 -1.040 79 1HB PRO 462 2HB PRO 462 -2.305 -9.594 0.983 80 2HB PRO 462 1HB PRO 462 -1.725 -11.261 0.985 81 1HG PRO 462 2HG PRO 462 -0.054 -9.192 0.643 82 2HG PRO 462 1HG PRO 462 0.189 -10.739 -0.187 83 1HD PRO 462 2HD PRO 462 -0.954 -8.180 -1.243 84 2HD PRO 462 1HD PRO 462 0.160 -9.321 -2.024 85 HA PRO 463 HA PRO 463 -6.744 -10.073 -0.467 86 1HB PRO 463 2HB PRO 463 -7.509 -10.885 1.986 87 2HB PRO 463 1HB PRO 463 -7.260 -12.022 0.658 88 1HG PRO 463 2HG PRO 463 -5.448 -11.349 2.940 89 2HG PRO 463 1HG PRO 463 -5.810 -12.931 2.228 90 1HD PRO 463 2HD PRO 463 -3.551 -11.494 1.664 91 2HD PRO 463 1HD PRO 463 -4.283 -12.657 0.541 92 H GLY 464 H GLY 464 -7.299 -8.002 -0.218 93 1HA GLY 464 2HA GLY 464 -7.775 -6.028 0.919 94 2HA GLY 464 1HA GLY 464 -7.007 -6.700 2.352 95 H TRP 465 H TRP 465 -5.636 -6.439 -0.874 96 HA TRP 465 HA TRP 465 -3.797 -4.331 0.034 97 1HB TRP 465 2HB TRP 465 -3.074 -7.055 -1.017 98 2HB TRP 465 1HB TRP 465 -1.998 -5.689 -1.274 99 HD1 TRP 465 HD TRP 465 -3.326 -7.961 1.494 100 HE1 TRP 465 1HE TRP 465 -1.829 -7.660 3.568 101 HE3 TRP 465 3HE TRP 465 -0.508 -4.018 -0.112 102 HZ2 TRP 465 2HZ TRP 465 0.267 -5.975 4.398 103 HZ3 TRP 465 3HZ TRP 465 1.227 -3.118 1.384 104 HH2 TRP 465 HH TRP 465 1.603 -4.078 3.598 105 H GLU 466 H GLU 466 -2.531 -3.440 -1.843 106 HA GLU 466 HA GLU 466 -3.755 -3.769 -4.453 107 1HB GLU 466 2HB GLU 466 -4.356 -1.534 -2.668 108 2HB GLU 466 1HB GLU 466 -3.755 -1.017 -4.236 109 1HG GLU 466 2HG GLU 466 -5.574 -2.919 -4.939 110 2HG GLU 466 1HG GLU 466 -6.314 -2.217 -3.501 111 H GLU 467 H GLU 467 -2.441 -3.147 -6.132 112 HA GLU 467 HA GLU 467 0.306 -2.470 -5.385 113 1HB GLU 467 2HB GLU 467 0.925 -3.230 -7.601 114 2HB GLU 467 1HB GLU 467 -0.098 -4.438 -6.839 115 1HG GLU 467 2HG GLU 467 -2.018 -3.243 -8.105 116 2HG GLU 467 1HG GLU 467 -0.716 -2.593 -9.101 117 H ARG 468 H ARG 468 0.503 -0.297 -5.173 118 HA ARG 468 HA ARG 468 -0.604 1.401 -7.305 119 1HB ARG 468 2HB ARG 468 0.032 1.901 -4.421 120 2HB ARG 468 1HB ARG 468 0.013 3.247 -5.550 121 1HG ARG 468 2HG ARG 468 -2.338 1.587 -5.829 122 2HG ARG 468 1HG ARG 468 -2.145 2.186 -4.180 123 1HD ARG 468 2HD ARG 468 -3.446 3.780 -5.394 124 2HD ARG 468 1HD ARG 468 -1.850 4.475 -5.121 125 HE ARG 468 HE ARG 468 -1.473 4.443 -7.389 126 1HH1 ARG 468 1HH1 ARG 468 -4.304 2.557 -6.647 127 2HH1 ARG 468 2HH1 ARG 468 -4.791 2.397 -8.302 128 1HH2 ARG 468 1HH2 ARG 468 -2.105 4.242 -9.572 129 2HH2 ARG 468 2HH2 ARG 468 -3.540 3.354 -9.964 130 H THR 469 H THR 469 0.683 2.789 -8.454 131 HA THR 469 HA THR 469 3.483 2.134 -8.557 132 HB THR 469 HB THR 469 3.546 3.834 -10.404 133 HG1 THR 469 1HG THR 469 1.738 5.084 -9.631 134 1HG2 THR 469 1HG2 THR 469 3.185 1.501 -10.932 135 2HG2 THR 469 2HG2 THR 469 2.155 2.495 -11.963 136 3HG2 THR 469 3HG2 THR 469 1.465 1.653 -10.575 137 H HIS 470 H HIS 470 5.116 3.187 -7.638 138 HA HIS 470 HA HIS 470 4.596 5.442 -5.934 139 1HB HIS 470 2HB HIS 470 6.214 3.572 -5.413 140 2HB HIS 470 1HB HIS 470 7.284 4.255 -6.633 141 HD2 HIS 470 2HD HIS 470 9.076 5.928 -5.590 142 HE1 HIS 470 1HE HIS 470 6.860 7.068 -2.171 143 HE2 HIS 470 2HE HIS 470 8.984 7.459 -3.499 144 H THR 471 H THR 471 6.000 7.395 -6.000 145 HA THR 471 HA THR 471 5.697 8.787 -8.397 146 HB THR 471 HB THR 471 7.702 9.456 -6.236 147 HG1 THR 471 1HG THR 471 4.895 9.890 -6.390 148 1HG2 THR 471 1HG2 THR 471 8.126 11.176 -7.604 149 2HG2 THR 471 2HG2 THR 471 6.523 11.775 -7.177 150 3HG2 THR 471 3HG2 THR 471 6.742 10.803 -8.632 151 H ASP 472 H ASP 472 8.255 6.723 -7.301 152 HA ASP 472 HA ASP 472 10.115 7.666 -9.325 153 1HB ASP 472 2HB ASP 472 10.294 5.613 -7.130 154 2HB ASP 472 1HB ASP 472 11.547 5.769 -8.359 155 H GLY 473 H GLY 473 7.519 5.584 -9.333 156 1HA GLY 473 2HA GLY 473 6.907 4.465 -11.356 157 2HA GLY 473 1HA GLY 473 8.612 4.191 -11.677 158 H ARG 474 H ARG 474 8.806 3.425 -8.690 159 HA ARG 474 HA ARG 474 8.455 0.608 -9.134 160 1HB ARG 474 2HB ARG 474 9.424 2.240 -6.793 161 2HB ARG 474 1HB ARG 474 9.219 0.496 -6.689 162 1HG ARG 474 2HG ARG 474 10.882 0.106 -8.320 163 2HG ARG 474 1HG ARG 474 10.925 1.809 -8.783 164 1HD ARG 474 2HD ARG 474 12.059 2.433 -6.853 165 2HD ARG 474 1HD ARG 474 11.577 0.977 -5.982 166 HE ARG 474 HE ARG 474 13.142 0.132 -8.094 167 1HH1 ARG 474 1HH1 ARG 474 13.515 2.174 -5.298 168 2HH1 ARG 474 2HH1 ARG 474 15.206 1.845 -5.123 169 1HH2 ARG 474 1HH2 ARG 474 15.368 -0.310 -7.871 170 2HH2 ARG 474 2HH2 ARG 474 16.260 0.432 -6.586 171 H VAL 475 H VAL 475 6.661 -0.514 -8.758 172 HA VAL 475 HA VAL 475 4.414 0.728 -7.469 173 HB VAL 475 HB VAL 475 3.958 -0.636 -9.373 174 1HG1 VAL 475 1HG1 VAL 475 5.809 -2.110 -9.447 175 2HG1 VAL 475 2HG1 VAL 475 4.383 -3.130 -9.315 176 3HG1 VAL 475 3HG1 VAL 475 5.399 -2.844 -7.902 177 1HG2 VAL 475 1HG2 VAL 475 2.378 -0.613 -7.383 178 2HG2 VAL 475 2HG2 VAL 475 2.948 -2.237 -7.017 179 3HG2 VAL 475 3HG2 VAL 475 2.138 -1.907 -8.552 180 H PHE 476 H PHE 476 4.260 0.843 -5.346 181 HA PHE 476 HA PHE 476 5.501 -1.171 -3.651 182 1HB PHE 476 2HB PHE 476 5.040 0.346 -1.815 183 2HB PHE 476 1HB PHE 476 5.784 1.239 -3.137 184 HD1 PHE 476 1HD PHE 476 2.614 0.558 -1.396 185 HD2 PHE 476 2HD PHE 476 4.648 3.008 -4.219 186 HE1 PHE 476 1HE PHE 476 0.731 2.144 -1.370 187 HE2 PHE 476 2HE PHE 476 2.770 4.599 -4.198 188 HZ PHE 476 HZ PHE 476 0.809 4.168 -2.771 189 H PHE 477 H PHE 477 4.130 -1.674 -1.576 190 HA PHE 477 HA PHE 477 1.518 -2.641 -2.524 191 1HB PHE 477 2HB PHE 477 3.186 -3.668 -0.223 192 2HB PHE 477 1HB PHE 477 1.696 -4.381 -0.825 193 HD1 PHE 477 1HD PHE 477 1.756 -5.993 -2.499 194 HD2 PHE 477 2HD PHE 477 5.173 -3.550 -1.821 195 HE1 PHE 477 1HE PHE 477 3.054 -7.384 -4.060 196 HE2 PHE 477 2HE PHE 477 6.478 -4.935 -3.381 197 HZ PHE 477 HZ PHE 477 5.419 -6.854 -4.503 198 H ILE 478 H ILE 478 -0.325 -2.446 -1.223 199 HA ILE 478 HA ILE 478 -0.128 -0.919 1.255 200 HB ILE 478 HB ILE 478 -0.414 0.768 -0.560 201 1HG1 ILE 478 2HG1 ILE 478 -2.661 0.413 1.421 202 2HG1 ILE 478 1HG1 ILE 478 -1.224 1.409 1.592 203 1HG2 ILE 478 1HG2 ILE 478 -2.279 0.873 -1.949 204 2HG2 ILE 478 2HG2 ILE 478 -3.171 -0.302 -0.983 205 3HG2 ILE 478 3HG2 ILE 478 -1.807 -0.824 -1.972 206 1HD1 ILE 478 1HD1 ILE 478 -2.396 3.146 0.862 207 2HD1 ILE 478 2HD1 ILE 478 -3.790 2.110 0.550 208 3HD1 ILE 478 3HD1 ILE 478 -2.569 2.344 -0.701 209 H ASN 479 H ASN 479 -1.566 -1.633 2.735 210 HA ASN 479 HA ASN 479 -3.537 -3.593 1.837 211 1HB ASN 479 2HB ASN 479 -3.566 -4.445 4.043 212 2HB ASN 479 1HB ASN 479 -1.878 -4.075 3.709 213 1HD2 ASN 479 1HD2 ASN 479 -2.723 -4.387 6.269 214 2HD2 ASN 479 2HD2 ASN 479 -2.709 -2.869 7.090 215 H HIS 480 H HIS 480 -5.711 -3.574 2.708 216 HA HIS 480 HA HIS 480 -6.704 -0.827 3.021 217 1HB HIS 480 2HB HIS 480 -7.894 -3.340 1.905 218 2HB HIS 480 1HB HIS 480 -8.953 -2.066 2.500 219 HD2 HIS 480 2HD HIS 480 -5.701 -1.364 0.421 220 HE1 HIS 480 1HE HIS 480 -9.105 -0.156 -1.786 221 HE2 HIS 480 2HE HIS 480 -6.576 -0.051 -1.639 222 H ASN 481 H ASN 481 -6.308 -3.774 4.725 223 HA ASN 481 HA ASN 481 -8.435 -3.853 6.472 224 1HB ASN 481 2HB ASN 481 -5.626 -4.304 7.454 225 2HB ASN 481 1HB ASN 481 -7.102 -5.139 7.925 226 1HD2 ASN 481 1HD2 ASN 481 -4.528 -4.936 5.660 227 2HD2 ASN 481 2HD2 ASN 481 -4.901 -6.369 4.771 228 H ILE 482 H ILE 482 -5.408 -2.032 6.884 229 HA ILE 482 HA ILE 482 -6.857 -0.168 8.632 230 HB ILE 482 HB ILE 482 -4.600 0.035 9.891 231 1HG1 ILE 482 2HG1 ILE 482 -4.365 -2.779 8.802 232 2HG1 ILE 482 1HG1 ILE 482 -3.342 -1.423 8.336 233 1HG2 ILE 482 1HG2 ILE 482 -5.609 -1.053 11.576 234 2HG2 ILE 482 2HG2 ILE 482 -5.790 -2.538 10.643 235 3HG2 ILE 482 3HG2 ILE 482 -6.944 -1.220 10.436 236 1HD1 ILE 482 1HD1 ILE 482 -3.479 -1.966 11.218 237 2HD1 ILE 482 2HD1 ILE 482 -2.100 -1.555 10.198 238 3HD1 ILE 482 3HD1 ILE 482 -2.706 -3.211 10.237 239 H LYS 483 H LYS 483 -5.946 -0.148 5.786 240 HA LYS 483 HA LYS 483 -4.813 1.169 4.293 241 1HB LYS 483 2HB LYS 483 -5.443 3.309 6.329 242 2HB LYS 483 1HB LYS 483 -5.205 3.530 4.601 243 1HG LYS 483 2HG LYS 483 -7.524 3.628 4.946 244 2HG LYS 483 1HG LYS 483 -7.213 2.029 4.267 245 1HD LYS 483 2HD LYS 483 -7.784 0.955 6.181 246 2HD LYS 483 1HD LYS 483 -7.157 2.240 7.215 247 1HE LYS 483 2HE LYS 483 -9.599 2.042 7.369 248 2HE LYS 483 1HE LYS 483 -9.101 3.610 6.737 249 1HZ LYS 483 1HZ LYS 483 -9.618 1.549 4.757 250 2HZ LYS 483 2HZ LYS 483 -10.015 3.193 4.738 251 3HZ LYS 483 3HZ LYS 483 -10.972 2.102 5.608 252 H LYS 484 H LYS 484 -2.721 0.283 4.555 253 HA LYS 484 HA LYS 484 -0.804 2.198 5.590 254 1HB LYS 484 2HB LYS 484 -1.486 -0.214 7.013 255 2HB LYS 484 1HB LYS 484 0.196 -0.267 6.502 256 1HG LYS 484 2HG LYS 484 0.751 1.645 7.725 257 2HG LYS 484 1HG LYS 484 -0.938 2.125 7.906 258 1HD LYS 484 2HD LYS 484 -1.286 0.729 9.656 259 2HD LYS 484 1HD LYS 484 -0.206 -0.512 9.016 260 1HE LYS 484 2HE LYS 484 0.534 2.006 10.491 261 2HE LYS 484 1HE LYS 484 0.797 0.337 10.998 262 1HZ LYS 484 1HZ LYS 484 2.848 0.803 10.195 263 2HZ LYS 484 2HZ LYS 484 2.295 1.958 9.087 264 3HZ LYS 484 3HZ LYS 484 2.140 0.310 8.739 265 H THR 485 H THR 485 0.730 2.435 4.124 266 HA THR 485 HA THR 485 1.123 0.353 2.107 267 HB THR 485 HB THR 485 0.814 2.437 1.060 268 HG1 THR 485 1HG THR 485 2.768 1.246 0.411 269 1HG2 THR 485 1HG2 THR 485 2.478 4.358 1.771 270 2HG2 THR 485 2HG2 THR 485 2.474 3.487 3.304 271 3HG2 THR 485 3HG2 THR 485 0.963 4.104 2.637 272 H GLN 486 H GLN 486 3.289 -0.284 1.472 273 HA GLN 486 HA GLN 486 5.501 0.350 3.204 274 1HB GLN 486 2HB GLN 486 5.865 -2.095 3.777 275 2HB GLN 486 1HB GLN 486 4.554 -1.287 4.628 276 1HG GLN 486 2HG GLN 486 2.933 -2.481 3.555 277 2HG GLN 486 1HG GLN 486 3.918 -2.734 2.116 278 1HE2 GLN 486 1HE2 GLN 486 5.452 -4.380 2.102 279 2HE2 GLN 486 2HE2 GLN 486 5.395 -5.685 3.228 280 H TRP 487 H TRP 487 7.466 -0.120 2.290 281 HA TRP 487 HA TRP 487 7.504 -0.562 -0.523 282 1HB TRP 487 2HB TRP 487 9.524 -0.016 1.591 283 2HB TRP 487 1HB TRP 487 10.099 -0.728 0.089 284 HD1 TRP 487 HD TRP 487 9.677 2.527 1.584 285 HE1 TRP 487 1HE TRP 487 9.548 4.386 -0.190 286 HE3 TRP 487 3HE TRP 487 8.812 -0.354 -2.548 287 HZ2 TRP 487 2HZ TRP 487 9.133 4.604 -2.975 288 HZ3 TRP 487 3HZ TRP 487 8.560 0.757 -4.729 289 HH2 TRP 487 HH TRP 487 8.717 3.185 -4.936 290 H GLU 488 H GLU 488 8.310 -2.532 2.290 291 HA GLU 488 HA GLU 488 9.550 -4.659 0.955 292 1HB GLU 488 2HB GLU 488 8.703 -4.075 3.601 293 2HB GLU 488 1HB GLU 488 8.059 -5.658 3.182 294 1HG GLU 488 2HG GLU 488 10.049 -6.613 3.376 295 2HG GLU 488 1HG GLU 488 10.814 -5.391 2.362 296 H ASP 489 H ASP 489 8.729 -6.807 0.538 297 HA ASP 489 HA ASP 489 6.101 -6.708 -0.712 298 1HB ASP 489 2HB ASP 489 8.066 -8.996 -0.783 299 2HB ASP 489 1HB ASP 489 6.751 -8.665 -1.907 300 HA PRO 490 HA PRO 490 4.630 -8.769 3.057 301 1HB PRO 490 2HB PRO 490 1.983 -8.488 2.475 302 2HB PRO 490 1HB PRO 490 2.956 -7.212 3.216 303 1HG PRO 490 2HG PRO 490 2.130 -7.552 0.365 304 2HG PRO 490 1HG PRO 490 2.210 -6.078 1.341 305 1HD PRO 490 2HD PRO 490 4.116 -6.753 -0.467 306 2HD PRO 490 1HD PRO 490 4.468 -5.824 1.003 307 H ARG 491 H ARG 491 3.566 -9.346 -0.258 308 HA ARG 491 HA ARG 491 2.431 -11.915 0.303 309 1HB ARG 491 2HB ARG 491 2.513 -12.123 -2.243 310 2HB ARG 491 1HB ARG 491 1.523 -10.833 -1.579 311 1HG ARG 491 2HG ARG 491 2.985 -9.178 -2.256 312 2HG ARG 491 1HG ARG 491 4.347 -10.293 -2.380 313 1HD ARG 491 2HD ARG 491 1.991 -10.029 -4.232 314 2HD ARG 491 1HD ARG 491 3.694 -9.759 -4.599 315 HE ARG 491 HE ARG 491 2.306 -12.254 -4.616 316 1HH1 ARG 491 1HH1 ARG 491 5.406 -10.762 -4.073 317 2HH1 ARG 491 2HH1 ARG 491 6.306 -12.189 -4.467 318 1HH2 ARG 491 1HH2 ARG 491 3.480 -14.137 -5.137 319 2HH2 ARG 491 2HH2 ARG 491 5.210 -14.109 -5.072 320 H MET 492 H MET 492 5.601 -10.734 -0.369 321 HA MET 492 HA MET 492 6.622 -13.310 -1.216 322 1HB MET 492 2HB MET 492 7.409 -10.740 -1.706 323 2HB MET 492 1HB MET 492 8.559 -11.229 -0.470 324 1HG MET 492 2HG MET 492 8.035 -12.741 -3.017 325 2HG MET 492 1HG MET 492 9.361 -11.606 -2.770 326 1HE MET 492 1HE MET 492 11.311 -11.990 -2.186 327 2HE MET 492 2HE MET 492 11.774 -13.591 -2.765 328 3HE MET 492 3HE MET 492 11.982 -13.174 -1.064 329 H GLN 493 H GLN 493 6.218 -11.577 1.728 330 HA GLN 493 HA GLN 493 8.320 -12.838 3.191 331 1HB GLN 493 2HB GLN 493 5.961 -11.145 3.887 332 2HB GLN 493 1HB GLN 493 6.771 -12.036 5.168 333 1HG GLN 493 2HG GLN 493 8.594 -10.570 3.422 334 2HG GLN 493 1HG GLN 493 7.451 -9.545 4.290 335 1HE2 GLN 493 1HE2 GLN 493 10.088 -9.296 4.812 336 2HE2 GLN 493 2HE2 GLN 493 10.459 -9.930 6.375 337 H ASN 494 H ASN 494 7.485 -14.994 2.127 338 HA ASN 494 HA ASN 494 6.432 -16.556 4.268 339 1HB ASN 494 2HB ASN 494 4.542 -17.473 2.681 340 2HB ASN 494 1HB ASN 494 4.258 -16.053 3.682 341 1HD2 ASN 494 1HD2 ASN 494 4.542 -17.288 0.500 342 2HD2 ASN 494 2HD2 ASN 494 4.178 -15.823 -0.342 343 H VAL 495 H VAL 495 8.339 -17.711 3.995 344 HA VAL 495 HA VAL 495 8.239 -19.757 1.958 345 HB VAL 495 HB VAL 495 10.783 -18.159 2.087 346 1HG1 VAL 495 1HG1 VAL 495 9.645 -20.231 0.234 347 2HG1 VAL 495 2HG1 VAL 495 11.131 -20.300 1.182 348 3HG1 VAL 495 3HG1 VAL 495 11.021 -19.222 -0.210 349 1HG2 VAL 495 1HG2 VAL 495 10.129 -17.028 0.019 350 2HG2 VAL 495 2HG2 VAL 495 9.039 -16.619 1.343 351 3HG2 VAL 495 3HG2 VAL 495 8.535 -17.774 0.110 352 H ALA 496 H ALA 496 8.049 -21.121 3.772 353 HA ALA 496 HA ALA 496 10.520 -22.092 4.783 354 1HB ALA 496 1HB ALA 496 9.628 -19.952 6.212 355 2HB ALA 496 2HB ALA 496 10.667 -21.229 6.847 356 3HB ALA 496 3HB ALA 496 8.924 -21.299 7.108 357 H ILE 497 H ILE 497 10.329 -24.170 5.470 358 HA ILE 497 HA ILE 497 7.816 -25.242 6.381 359 HB ILE 497 HB ILE 497 7.997 -27.091 4.535 360 1HG1 ILE 497 2HG1 ILE 497 8.641 -25.009 2.599 361 2HG1 ILE 497 1HG1 ILE 497 10.003 -25.379 3.652 362 1HG2 ILE 497 1HG2 ILE 497 6.787 -24.844 3.206 363 2HG2 ILE 497 2HG2 ILE 497 6.409 -24.830 4.929 364 3HG2 ILE 497 3HG2 ILE 497 6.027 -26.250 3.955 365 1HD1 ILE 497 1HD1 ILE 497 8.471 -27.362 1.982 366 2HD1 ILE 497 2HD1 ILE 497 9.814 -27.745 3.059 367 3HD1 ILE 497 3HD1 ILE 497 10.084 -26.729 1.643 368 H THR 498 H THR 498 11.068 -25.964 5.169 369 HA THR 498 HA THR 498 11.357 -27.904 7.363 370 HB THR 498 HB THR 498 12.436 -28.263 4.560 371 HG1 THR 498 1HG THR 498 10.852 -29.751 4.314 372 1HG2 THR 498 1HG2 THR 498 13.817 -29.817 5.367 373 2HG2 THR 498 2HG2 THR 498 12.506 -30.593 6.254 374 3HG2 THR 498 3HG2 THR 498 13.402 -29.265 6.990 375 H GLY 499 H GLY 499 13.128 -27.645 8.581 376 1HA GLY 499 2HA GLY 499 15.407 -26.159 7.477 377 2HA GLY 499 1HA GLY 499 14.659 -25.577 8.958 378 1H GLY 605 1HT GLY 605 20.572 9.895 -0.517 379 2H GLY 605 2HT GLY 605 22.068 10.428 0.065 380 3H GLY 605 3HT GLY 605 21.985 9.054 -0.919 381 1HA GLY 605 1HA GLY 605 21.375 11.843 -1.736 382 2HA GLY 605 2HA GLY 605 22.797 10.918 -2.195 383 H SER 606 H SER 606 22.715 10.112 -4.171 384 HA SER 606 HA SER 606 20.344 10.105 -5.723 385 1HB SER 606 2HB SER 606 22.651 10.390 -6.645 386 2HB SER 606 1HB SER 606 22.944 8.680 -6.326 387 HG SER 606 HG SER 606 20.775 9.583 -7.903 388 H THR 607 H THR 607 21.695 7.817 -3.555 389 HA THR 607 HA THR 607 20.581 5.466 -4.735 390 HB THR 607 HB THR 607 20.923 4.651 -2.229 391 HG1 THR 607 1HG THR 607 21.871 6.095 -1.014 392 1HG2 THR 607 1HG2 THR 607 22.966 3.798 -2.889 393 2HG2 THR 607 2HG2 THR 607 23.433 5.278 -3.727 394 3HG2 THR 607 3HG2 THR 607 22.239 4.197 -4.446 395 H LEU 608 H LEU 608 19.813 6.797 -1.523 396 HA LEU 608 HA LEU 608 17.852 7.014 -0.388 397 1HB LEU 608 2HB LEU 608 17.259 8.354 -2.437 398 2HB LEU 608 1HB LEU 608 16.499 6.911 -3.082 399 HG LEU 608 HG LEU 608 15.405 7.278 -0.514 400 1HD1 LEU 608 1HD1 LEU 608 14.921 9.459 -0.212 401 2HD1 LEU 608 2HD1 LEU 608 14.831 9.792 -1.942 402 3HD1 LEU 608 3HD1 LEU 608 16.401 9.690 -1.143 403 1HD2 LEU 608 1HD2 LEU 608 13.443 8.090 -2.150 404 2HD2 LEU 608 2HD2 LEU 608 13.915 6.400 -1.970 405 3HD2 LEU 608 3HD2 LEU 608 14.520 7.344 -3.331 406 HA PRO 609 HA PRO 609 17.164 2.408 -1.116 407 1HB PRO 609 2HB PRO 609 18.231 1.558 1.230 408 2HB PRO 609 1HB PRO 609 19.188 1.770 -0.241 409 1HG PRO 609 2HG PRO 609 18.893 3.602 2.110 410 2HG PRO 609 1HG PRO 609 20.358 3.158 1.213 411 1HD PRO 609 2HD PRO 609 19.057 5.495 0.805 412 2HD PRO 609 1HD PRO 609 19.915 4.642 -0.496 413 H ILE 610 H ILE 610 16.890 4.307 1.883 414 HA ILE 610 HA ILE 610 14.109 3.504 2.129 415 HB ILE 610 HB ILE 610 14.596 3.043 4.666 416 1HG1 ILE 610 2HG1 ILE 610 17.163 1.967 3.517 417 2HG1 ILE 610 1HG1 ILE 610 17.082 3.570 4.240 418 1HG2 ILE 610 1HG2 ILE 610 14.977 0.583 4.107 419 2HG2 ILE 610 2HG2 ILE 610 14.966 1.081 2.417 420 3HG2 ILE 610 3HG2 ILE 610 13.544 1.352 3.427 421 1HD1 ILE 610 1HD1 ILE 610 15.939 2.091 6.185 422 2HD1 ILE 610 2HD1 ILE 610 17.659 2.471 6.102 423 3HD1 ILE 610 3HD1 ILE 610 17.068 0.923 5.498 424 HA PRO 611 HA PRO 611 14.655 7.983 3.000 425 1HB PRO 611 2HB PRO 611 11.693 7.628 2.881 426 2HB PRO 611 1HB PRO 611 12.705 8.889 2.166 427 1HG PRO 611 2HG PRO 611 11.710 6.937 0.657 428 2HG PRO 611 1HG PRO 611 13.354 7.546 0.388 429 1HD PRO 611 2HD PRO 611 12.457 5.006 1.666 430 2HD PRO 611 1HD PRO 611 13.897 5.328 0.678 431 H GLY 612 H GLY 612 12.331 5.728 4.465 432 1HA GLY 612 2HA GLY 612 12.850 5.555 6.980 433 2HA GLY 612 1HA GLY 612 12.483 7.273 6.967 434 H THR 613 H THR 613 10.319 7.224 5.156 435 HA THR 613 HA THR 613 8.321 5.757 6.752 436 HB THR 613 HB THR 613 6.746 7.489 6.410 437 HG1 THR 613 1HG THR 613 8.602 8.516 4.510 438 1HG2 THR 613 1HG2 THR 613 9.329 8.091 7.506 439 2HG2 THR 613 2HG2 THR 613 7.742 8.653 8.029 440 3HG2 THR 613 3HG2 THR 613 8.631 9.545 6.794 441 HA PRO 614 HA PRO 614 7.197 3.350 3.221 442 1HB PRO 614 2HB PRO 614 4.408 3.859 4.147 443 2HB PRO 614 1HB PRO 614 5.205 2.329 3.762 444 1HG PRO 614 2HG PRO 614 4.792 3.039 6.292 445 2HG PRO 614 1HG PRO 614 6.293 2.228 5.808 446 1HD PRO 614 2HD PRO 614 5.813 5.100 6.461 447 2HD PRO 614 1HD PRO 614 7.240 4.093 6.776 448 HA PRO 615 HA PRO 615 5.901 5.788 -0.210 449 1HB PRO 615 2HB PRO 615 3.538 4.008 -0.577 450 2HB PRO 615 1HB PRO 615 4.781 4.484 -1.740 451 1HG PRO 615 2HG PRO 615 4.807 2.056 -0.655 452 2HG PRO 615 1HG PRO 615 6.317 2.944 -0.929 453 1HD PRO 615 2HD PRO 615 4.823 2.473 1.613 454 2HD PRO 615 1HD PRO 615 6.575 2.551 1.327 455 HA PRO 616 HA PRO 616 2.586 8.628 0.491 456 1HB PRO 616 2HB PRO 616 0.970 7.664 -1.804 457 2HB PRO 616 1HB PRO 616 1.594 9.281 -1.467 458 1HG PRO 616 2HG PRO 616 2.693 7.759 -3.361 459 2HG PRO 616 1HG PRO 616 3.692 8.796 -2.325 460 1HD PRO 616 2HD PRO 616 3.258 5.839 -2.197 461 2HD PRO 616 1HD PRO 616 4.743 6.774 -1.927 462 H ASN 617 H ASN 617 1.161 8.485 2.087 463 HA ASN 617 HA ASN 617 -0.180 6.145 2.833 464 1HB ASN 617 2HB ASN 617 0.333 8.092 4.329 465 2HB ASN 617 1HB ASN 617 -0.977 8.973 3.550 466 1HD2 ASN 617 1HD2 ASN 617 -0.460 5.749 4.949 467 2HD2 ASN 617 2HD2 ASN 617 -1.922 5.730 5.870 468 H TYR 618 H TYR 618 -2.417 5.610 2.794 469 HA TYR 618 HA TYR 618 -3.662 5.989 0.301 470 1HB TYR 618 2HB TYR 618 -4.039 4.035 1.807 471 2HB TYR 618 1HB TYR 618 -4.964 5.083 2.878 472 HD1 TYR 618 1HD TYR 618 -7.211 4.591 2.750 473 HD2 TYR 618 2HD TYR 618 -4.916 4.592 -0.832 474 HE1 TYR 618 1HE TYR 618 -9.247 4.125 1.451 475 HE2 TYR 618 2HE TYR 618 -6.944 4.127 -2.140 476 HH TYR 618 HH TYR 618 -9.541 2.894 -1.130 477 H ASP 619 H ASP 619 -4.146 7.522 3.441 478 HA ASP 619 HA ASP 619 -6.445 9.010 2.747 479 1HB ASP 619 2HB ASP 619 -5.220 8.545 5.074 480 2HB ASP 619 1HB ASP 619 -4.517 10.121 4.727 481 H SER 620 H SER 620 -3.033 9.516 2.264 482 HA SER 620 HA SER 620 -3.389 12.275 1.435 483 1HB SER 620 2HB SER 620 -1.273 10.887 2.542 484 2HB SER 620 1HB SER 620 -0.795 11.055 0.852 485 HG SER 620 HG SER 620 -0.470 13.101 1.178 486 H LEU 621 H LEU 621 -3.369 9.154 0.005 487 HA LEU 621 HA LEU 621 -2.506 9.917 -2.602 488 1HB LEU 621 2HB LEU 621 -3.665 7.514 -1.329 489 2HB LEU 621 1HB LEU 621 -3.971 7.687 -3.047 490 HG LEU 621 HG LEU 621 -1.248 7.627 -1.742 491 1HD1 LEU 621 1HD1 LEU 621 -2.514 5.467 -1.807 492 2HD1 LEU 621 2HD1 LEU 621 -0.990 5.462 -2.695 493 3HD1 LEU 621 3HD1 LEU 621 -2.518 5.596 -3.565 494 1HD2 LEU 621 1HD2 LEU 621 -0.521 7.402 -4.167 495 2HD2 LEU 621 2HD2 LEU 621 -1.045 9.001 -3.639 496 3HD2 LEU 621 3HD2 LEU 621 -2.129 7.989 -4.591 Start of MODEL 12 1 1H GLY 450 1HT GLY 450 16.563 -12.531 0.267 2 2H GLY 450 2HT GLY 450 16.758 -11.606 -1.135 3 3H GLY 450 3HT GLY 450 17.229 -10.978 0.364 4 1HA GLY 450 1HA GLY 450 19.207 -11.629 -0.722 5 2HA GLY 450 2HA GLY 450 18.887 -12.807 0.542 6 H SER 451 H SER 451 16.625 -13.904 -1.117 7 HA SER 451 HA SER 451 17.714 -14.912 -3.533 8 1HB SER 451 2HB SER 451 18.071 -17.241 -2.880 9 2HB SER 451 1HB SER 451 19.130 -16.182 -1.948 10 HG SER 451 HG SER 451 17.676 -17.953 -0.912 11 HA PRO 452 HA PRO 452 13.176 -15.320 -3.260 12 1HB PRO 452 2HB PRO 452 12.657 -14.550 -5.781 13 2HB PRO 452 1HB PRO 452 13.029 -13.380 -4.508 14 1HG PRO 452 2HG PRO 452 14.816 -14.490 -6.639 15 2HG PRO 452 1HG PRO 452 14.658 -12.817 -6.071 16 1HD PRO 452 2HD PRO 452 16.651 -14.502 -5.266 17 2HD PRO 452 1HD PRO 452 16.032 -13.172 -4.268 18 H VAL 453 H VAL 453 14.140 -17.666 -3.174 19 HA VAL 453 HA VAL 453 14.113 -19.111 -5.663 20 HB VAL 453 HB VAL 453 13.992 -20.340 -2.915 21 1HG1 VAL 453 1HG1 VAL 453 15.081 -22.210 -3.938 22 2HG1 VAL 453 2HG1 VAL 453 15.306 -21.321 -5.444 23 3HG1 VAL 453 3HG1 VAL 453 13.684 -21.781 -4.925 24 1HG2 VAL 453 1HG2 VAL 453 16.666 -20.210 -3.914 25 2HG2 VAL 453 2HG2 VAL 453 16.015 -19.583 -2.400 26 3HG2 VAL 453 3HG2 VAL 453 15.989 -18.582 -3.851 27 H ASP 454 H ASP 454 12.051 -19.103 -2.755 28 HA ASP 454 HA ASP 454 9.760 -19.776 -4.441 29 1HB ASP 454 2HB ASP 454 9.013 -21.486 -2.780 30 2HB ASP 454 1HB ASP 454 10.479 -21.937 -3.646 31 H SER 455 H SER 455 7.760 -19.116 -3.612 32 HA SER 455 HA SER 455 7.479 -17.992 -1.006 33 1HB SER 455 2HB SER 455 7.340 -15.687 -1.499 34 2HB SER 455 1HB SER 455 8.790 -16.230 -2.342 35 HG SER 455 HG SER 455 6.599 -15.088 -3.358 36 H ASN 456 H ASN 456 6.157 -19.895 -2.766 37 HA ASN 456 HA ASN 456 4.071 -20.529 -3.422 38 1HB ASN 456 2HB ASN 456 3.771 -18.932 -1.024 39 2HB ASN 456 1HB ASN 456 2.345 -18.800 -2.051 40 1HD2 ASN 456 1HD2 ASN 456 4.563 -21.507 -1.545 41 2HD2 ASN 456 2HD2 ASN 456 3.366 -22.605 -0.957 42 H ASP 457 H ASP 457 1.927 -19.712 -4.349 43 HA ASP 457 HA ASP 457 2.440 -17.295 -5.957 44 1HB ASP 457 2HB ASP 457 1.049 -19.864 -6.734 45 2HB ASP 457 1HB ASP 457 1.003 -18.398 -7.709 46 H LEU 458 H LEU 458 1.134 -15.686 -5.423 47 HA LEU 458 HA LEU 458 -1.517 -16.308 -4.317 48 1HB LEU 458 2HB LEU 458 0.324 -13.954 -4.043 49 2HB LEU 458 1HB LEU 458 -1.388 -13.793 -3.696 50 HG LEU 458 HG LEU 458 0.523 -15.676 -2.310 51 1HD1 LEU 458 1HD1 LEU 458 0.114 -14.236 -0.358 52 2HD1 LEU 458 2HD1 LEU 458 -0.819 -13.142 -1.379 53 3HD1 LEU 458 3HD1 LEU 458 0.904 -13.372 -1.676 54 1HD2 LEU 458 1HD2 LEU 458 -2.438 -15.323 -2.198 55 2HD2 LEU 458 2HD2 LEU 458 -1.560 -15.773 -0.735 56 3HD2 LEU 458 3HD2 LEU 458 -1.478 -16.802 -2.164 57 H GLY 459 H GLY 459 0.155 -14.482 -6.808 58 1HA GLY 459 2HA GLY 459 -0.765 -14.034 -8.934 59 2HA GLY 459 1HA GLY 459 -2.371 -14.245 -8.261 60 HA PRO 460 HA PRO 460 -2.365 -9.778 -8.338 61 1HB PRO 460 2HB PRO 460 -4.913 -9.371 -7.640 62 2HB PRO 460 1HB PRO 460 -4.494 -10.074 -9.208 63 1HG PRO 460 2HG PRO 460 -5.465 -11.424 -6.724 64 2HG PRO 460 1HG PRO 460 -5.906 -11.732 -8.412 65 1HD PRO 460 2HD PRO 460 -4.072 -13.213 -6.965 66 2HD PRO 460 1HD PRO 460 -4.130 -13.126 -8.736 67 H LEU 461 H LEU 461 -0.910 -10.380 -6.260 68 HA LEU 461 HA LEU 461 -0.304 -9.770 -4.154 69 1HB LEU 461 2HB LEU 461 -2.650 -7.913 -4.024 70 2HB LEU 461 1HB LEU 461 -1.048 -7.715 -3.339 71 HG LEU 461 HG LEU 461 -1.748 -7.526 -6.271 72 1HD1 LEU 461 1HD1 LEU 461 -2.121 -5.660 -4.267 73 2HD1 LEU 461 2HD1 LEU 461 -2.018 -5.333 -5.998 74 3HD1 LEU 461 3HD1 LEU 461 -0.578 -5.203 -4.988 75 1HD2 LEU 461 1HD2 LEU 461 0.536 -8.449 -5.691 76 2HD2 LEU 461 2HD2 LEU 461 0.883 -6.882 -4.960 77 3HD2 LEU 461 3HD2 LEU 461 0.517 -6.990 -6.682 78 HA PRO 462 HA PRO 462 -2.690 -11.937 -1.149 79 1HB PRO 462 2HB PRO 462 -2.339 -9.877 0.906 80 2HB PRO 462 1HB PRO 462 -1.665 -11.506 0.831 81 1HG PRO 462 2HG PRO 462 -0.136 -9.313 0.512 82 2HG PRO 462 1HG PRO 462 0.195 -10.827 -0.348 83 1HD PRO 462 2HD PRO 462 -1.158 -8.342 -1.337 84 2HD PRO 462 1HD PRO 462 0.042 -9.370 -2.153 85 HA PRO 463 HA PRO 463 -6.766 -10.323 -0.506 86 1HB PRO 463 2HB PRO 463 -7.493 -11.160 1.952 87 2HB PRO 463 1HB PRO 463 -7.262 -12.283 0.608 88 1HG PRO 463 2HG PRO 463 -5.424 -11.635 2.876 89 2HG PRO 463 1HG PRO 463 -5.784 -13.207 2.140 90 1HD PRO 463 2HD PRO 463 -3.541 -11.734 1.579 91 2HD PRO 463 1HD PRO 463 -4.265 -12.899 0.454 92 H GLY 464 H GLY 464 -7.297 -8.246 -0.248 93 1HA GLY 464 2HA GLY 464 -7.780 -6.292 0.933 94 2HA GLY 464 1HA GLY 464 -6.966 -6.969 2.337 95 H TRP 465 H TRP 465 -5.672 -6.681 -0.924 96 HA TRP 465 HA TRP 465 -3.875 -4.532 -0.057 97 1HB TRP 465 2HB TRP 465 -3.070 -7.263 -1.015 98 2HB TRP 465 1HB TRP 465 -2.026 -5.878 -1.308 99 HD1 TRP 465 HD TRP 465 -3.361 -8.054 1.540 100 HE1 TRP 465 1HE TRP 465 -1.884 -7.658 3.610 101 HE3 TRP 465 3HE TRP 465 -0.542 -4.170 -0.212 102 HZ2 TRP 465 2HZ TRP 465 0.201 -5.932 4.384 103 HZ3 TRP 465 3HZ TRP 465 1.176 -3.202 1.263 104 HH2 TRP 465 HH TRP 465 1.537 -4.065 3.517 105 H GLU 466 H GLU 466 -2.640 -3.615 -1.909 106 HA GLU 466 HA GLU 466 -3.769 -4.055 -4.547 107 1HB GLU 466 2HB GLU 466 -4.557 -1.836 -2.842 108 2HB GLU 466 1HB GLU 466 -3.842 -1.278 -4.346 109 1HG GLU 466 2HG GLU 466 -5.600 -1.922 -5.567 110 2HG GLU 466 1HG GLU 466 -5.791 -3.432 -4.679 111 H GLU 467 H GLU 467 -2.459 -3.322 -6.217 112 HA GLU 467 HA GLU 467 0.265 -2.646 -5.405 113 1HB GLU 467 2HB GLU 467 0.906 -3.291 -7.668 114 2HB GLU 467 1HB GLU 467 -0.045 -4.560 -6.909 115 1HG GLU 467 2HG GLU 467 -2.034 -3.358 -8.123 116 2HG GLU 467 1HG GLU 467 -0.746 -2.756 -9.165 117 H ARG 468 H ARG 468 0.479 -0.493 -5.126 118 HA ARG 468 HA ARG 468 -0.636 1.295 -7.175 119 1HB ARG 468 2HB ARG 468 -0.225 1.510 -4.289 120 2HB ARG 468 1HB ARG 468 0.357 2.914 -5.172 121 1HG ARG 468 2HG ARG 468 -2.386 1.808 -5.649 122 2HG ARG 468 1HG ARG 468 -2.058 2.925 -4.321 123 1HD ARG 468 2HD ARG 468 -2.671 4.391 -5.977 124 2HD ARG 468 1HD ARG 468 -0.922 4.348 -6.202 125 HE ARG 468 HE ARG 468 -1.247 3.369 -8.243 126 1HH1 ARG 468 1HH1 ARG 468 -4.178 3.109 -6.383 127 2HH1 ARG 468 2HH1 ARG 468 -5.118 2.502 -7.704 128 1HH2 ARG 468 1HH2 ARG 468 -2.474 2.571 -9.993 129 2HH2 ARG 468 2HH2 ARG 468 -4.149 2.196 -9.759 130 H THR 469 H THR 469 0.645 2.864 -8.178 131 HA THR 469 HA THR 469 3.449 2.123 -8.398 132 HB THR 469 HB THR 469 2.130 2.519 -10.448 133 HG1 THR 469 1HG THR 469 4.164 2.907 -10.979 134 1HG2 THR 469 1HG2 THR 469 0.847 4.323 -10.738 135 2HG2 THR 469 2HG2 THR 469 2.194 5.404 -10.382 136 3HG2 THR 469 3HG2 THR 469 1.203 4.769 -9.068 137 H HIS 470 H HIS 470 5.091 3.198 -7.521 138 HA HIS 470 HA HIS 470 4.583 5.460 -5.822 139 1HB HIS 470 2HB HIS 470 6.239 3.584 -5.355 140 2HB HIS 470 1HB HIS 470 7.283 4.330 -6.562 141 HD2 HIS 470 2HD HIS 470 8.940 6.189 -5.584 142 HE1 HIS 470 1HE HIS 470 6.897 6.871 -1.941 143 HE2 HIS 470 2HE HIS 470 8.866 7.560 -3.382 144 H THR 471 H THR 471 5.864 7.459 -5.946 145 HA THR 471 HA THR 471 5.538 8.781 -8.375 146 HB THR 471 HB THR 471 7.679 9.858 -6.664 147 HG1 THR 471 1HG THR 471 6.447 10.093 -4.865 148 1HG2 THR 471 1HG2 THR 471 6.753 11.845 -7.233 149 2HG2 THR 471 2HG2 THR 471 5.103 11.252 -7.043 150 3HG2 THR 471 3HG2 THR 471 6.008 10.888 -8.513 151 H ASP 472 H ASP 472 8.144 6.800 -7.256 152 HA ASP 472 HA ASP 472 10.004 7.791 -9.256 153 1HB ASP 472 2HB ASP 472 10.342 5.449 -7.378 154 2HB ASP 472 1HB ASP 472 11.608 6.276 -8.278 155 H GLY 473 H GLY 473 7.513 5.503 -9.140 156 1HA GLY 473 2HA GLY 473 6.887 4.458 -11.234 157 2HA GLY 473 1HA GLY 473 8.596 4.209 -11.557 158 H ARG 474 H ARG 474 8.796 3.439 -8.569 159 HA ARG 474 HA ARG 474 8.489 0.618 -9.017 160 1HB ARG 474 2HB ARG 474 9.233 2.092 -6.480 161 2HB ARG 474 1HB ARG 474 9.417 0.367 -6.766 162 1HG ARG 474 2HG ARG 474 11.398 0.677 -7.704 163 2HG ARG 474 1HG ARG 474 10.728 1.846 -8.842 164 1HD ARG 474 2HD ARG 474 10.835 3.507 -6.886 165 2HD ARG 474 1HD ARG 474 11.897 2.327 -6.120 166 HE ARG 474 HE ARG 474 12.952 2.716 -8.618 167 1HH1 ARG 474 1HH1 ARG 474 12.183 4.746 -5.894 168 2HH1 ARG 474 2HH1 ARG 474 13.439 5.891 -6.229 169 1HH2 ARG 474 1HH2 ARG 474 14.609 4.217 -9.067 170 2HH2 ARG 474 2HH2 ARG 474 14.819 5.590 -8.032 171 H VAL 475 H VAL 475 6.679 -0.495 -8.704 172 HA VAL 475 HA VAL 475 4.417 0.705 -7.400 173 HB VAL 475 HB VAL 475 4.196 -0.733 -9.402 174 1HG1 VAL 475 1HG1 VAL 475 4.569 -3.058 -9.379 175 2HG1 VAL 475 2HG1 VAL 475 4.697 -3.116 -7.618 176 3HG1 VAL 475 3HG1 VAL 475 5.971 -2.363 -8.572 177 1HG2 VAL 475 1HG2 VAL 475 2.221 -0.360 -8.179 178 2HG2 VAL 475 2HG2 VAL 475 2.703 -1.444 -6.879 179 3HG2 VAL 475 3HG2 VAL 475 2.245 -2.101 -8.453 180 H PHE 476 H PHE 476 4.265 0.768 -5.260 181 HA PHE 476 HA PHE 476 5.496 -1.302 -3.630 182 1HB PHE 476 2HB PHE 476 4.962 0.139 -1.730 183 2HB PHE 476 1HB PHE 476 5.788 1.057 -2.984 184 HD1 PHE 476 1HD PHE 476 2.532 0.414 -1.398 185 HD2 PHE 476 2HD PHE 476 4.741 2.893 -4.056 186 HE1 PHE 476 1HE PHE 476 0.697 2.053 -1.383 187 HE2 PHE 476 2HE PHE 476 2.912 4.540 -4.046 188 HZ PHE 476 HZ PHE 476 0.887 4.120 -2.708 189 H PHE 477 H PHE 477 3.933 -1.558 -1.464 190 HA PHE 477 HA PHE 477 1.418 -2.650 -2.546 191 1HB PHE 477 2HB PHE 477 3.181 -3.709 -0.332 192 2HB PHE 477 1HB PHE 477 1.570 -4.330 -0.685 193 HD1 PHE 477 1HD PHE 477 1.344 -6.100 -2.140 194 HD2 PHE 477 2HD PHE 477 4.839 -3.680 -2.350 195 HE1 PHE 477 1HE PHE 477 2.295 -7.626 -3.819 196 HE2 PHE 477 2HE PHE 477 5.797 -5.202 -4.030 197 HZ PHE 477 HZ PHE 477 4.523 -7.177 -4.767 198 H ILE 478 H ILE 478 -0.457 -2.505 -1.293 199 HA ILE 478 HA ILE 478 -0.349 -0.928 1.168 200 HB ILE 478 HB ILE 478 -0.738 0.702 -0.662 201 1HG1 ILE 478 2HG1 ILE 478 -3.058 0.179 1.201 202 2HG1 ILE 478 1HG1 ILE 478 -1.704 1.270 1.465 203 1HG2 ILE 478 1HG2 ILE 478 -1.799 -0.785 -2.250 204 2HG2 ILE 478 2HG2 ILE 478 -2.801 0.636 -1.953 205 3HG2 ILE 478 3HG2 ILE 478 -3.210 -0.905 -1.200 206 1HD1 ILE 478 1HD1 ILE 478 -3.554 1.742 -0.839 207 2HD1 ILE 478 2HD1 ILE 478 -2.569 2.893 0.064 208 3HD1 ILE 478 3HD1 ILE 478 -4.027 2.217 0.791 209 H ASN 479 H ASN 479 -1.801 -1.619 2.651 210 HA ASN 479 HA ASN 479 -3.614 -3.752 1.821 211 1HB ASN 479 2HB ASN 479 -3.662 -4.461 4.083 212 2HB ASN 479 1HB ASN 479 -1.986 -4.049 3.741 213 1HD2 ASN 479 1HD2 ASN 479 -2.684 -4.219 6.289 214 2HD2 ASN 479 2HD2 ASN 479 -2.791 -2.659 7.018 215 H HIS 480 H HIS 480 -5.819 -3.781 2.400 216 HA HIS 480 HA HIS 480 -6.951 -1.094 2.747 217 1HB HIS 480 2HB HIS 480 -7.744 -3.486 1.219 218 2HB HIS 480 1HB HIS 480 -9.067 -2.651 2.027 219 HD2 HIS 480 2HD HIS 480 -6.027 -1.047 0.083 220 HE1 HIS 480 1HE HIS 480 -9.691 0.289 -1.559 221 HE2 HIS 480 2HE HIS 480 -7.179 0.625 -1.530 222 H ASN 481 H ASN 481 -6.004 -3.049 4.887 223 HA ASN 481 HA ASN 481 -8.506 -3.578 6.295 224 1HB ASN 481 2HB ASN 481 -5.770 -4.180 7.381 225 2HB ASN 481 1HB ASN 481 -7.295 -4.992 7.719 226 1HD2 ASN 481 1HD2 ASN 481 -4.507 -4.914 5.793 227 2HD2 ASN 481 2HD2 ASN 481 -4.908 -6.217 4.735 228 H ILE 482 H ILE 482 -5.474 -1.801 6.743 229 HA ILE 482 HA ILE 482 -6.881 -0.011 8.599 230 HB ILE 482 HB ILE 482 -4.638 0.180 9.832 231 1HG1 ILE 482 2HG1 ILE 482 -4.261 -2.483 8.446 232 2HG1 ILE 482 1HG1 ILE 482 -3.275 -1.042 8.216 233 1HG2 ILE 482 1HG2 ILE 482 -5.619 -1.018 11.438 234 2HG2 ILE 482 2HG2 ILE 482 -5.574 -2.497 10.477 235 3HG2 ILE 482 3HG2 ILE 482 -6.890 -1.343 10.260 236 1HD1 ILE 482 1HD1 ILE 482 -1.950 -2.175 9.659 237 2HD1 ILE 482 2HD1 ILE 482 -3.304 -2.990 10.441 238 3HD1 ILE 482 3HD1 ILE 482 -2.946 -1.307 10.827 239 H LYS 483 H LYS 483 -6.086 0.115 5.730 240 HA LYS 483 HA LYS 483 -5.014 1.481 4.233 241 1HB LYS 483 2HB LYS 483 -5.849 3.398 6.410 242 2HB LYS 483 1HB LYS 483 -5.241 3.921 4.846 243 1HG LYS 483 2HG LYS 483 -7.680 3.966 4.942 244 2HG LYS 483 1HG LYS 483 -7.094 2.828 3.728 245 1HD LYS 483 2HD LYS 483 -7.710 0.977 4.983 246 2HD LYS 483 1HD LYS 483 -7.713 1.880 6.498 247 1HE LYS 483 2HE LYS 483 -9.969 1.618 6.101 248 2HE LYS 483 1HE LYS 483 -9.661 3.204 5.393 249 1HZ LYS 483 1HZ LYS 483 -10.704 2.309 3.636 250 2HZ LYS 483 2HZ LYS 483 -10.395 0.713 4.106 251 3HZ LYS 483 3HZ LYS 483 -9.201 1.605 3.306 252 H LYS 484 H LYS 484 -2.912 0.474 4.601 253 HA LYS 484 HA LYS 484 -0.960 2.456 5.436 254 1HB LYS 484 2HB LYS 484 -1.668 0.749 7.355 255 2HB LYS 484 1HB LYS 484 -0.502 -0.274 6.528 256 1HG LYS 484 2HG LYS 484 1.058 1.787 6.712 257 2HG LYS 484 1HG LYS 484 -0.067 2.303 7.969 258 1HD LYS 484 2HD LYS 484 0.916 -0.492 8.088 259 2HD LYS 484 1HD LYS 484 2.067 0.787 8.484 260 1HE LYS 484 2HE LYS 484 -0.009 1.634 9.930 261 2HE LYS 484 1HE LYS 484 -0.378 -0.090 9.912 262 1HZ LYS 484 1HZ LYS 484 2.084 -0.323 10.601 263 2HZ LYS 484 2HZ LYS 484 0.944 0.123 11.768 264 3HZ LYS 484 3HZ LYS 484 1.945 1.296 11.073 265 H THR 485 H THR 485 0.586 2.533 3.960 266 HA THR 485 HA THR 485 0.917 0.279 2.124 267 HB THR 485 HB THR 485 0.650 2.269 0.902 268 HG1 THR 485 1HG THR 485 3.480 2.076 1.088 269 1HG2 THR 485 1HG2 THR 485 0.847 4.051 2.355 270 2HG2 THR 485 2HG2 THR 485 2.335 4.215 1.421 271 3HG2 THR 485 3HG2 THR 485 2.375 3.476 3.022 272 H GLN 486 H GLN 486 3.210 -0.149 1.369 273 HA GLN 486 HA GLN 486 5.322 0.413 3.246 274 1HB GLN 486 2HB GLN 486 5.754 -2.082 3.589 275 2HB GLN 486 1HB GLN 486 4.423 -1.372 4.495 276 1HG GLN 486 2HG GLN 486 2.818 -2.435 3.234 277 2HG GLN 486 1HG GLN 486 3.893 -2.635 1.851 278 1HE2 GLN 486 1HE2 GLN 486 5.265 -4.363 1.763 279 2HE2 GLN 486 2HE2 GLN 486 5.166 -5.697 2.852 280 H TRP 487 H TRP 487 7.347 0.071 2.385 281 HA TRP 487 HA TRP 487 7.510 -0.123 -0.452 282 1HB TRP 487 2HB TRP 487 9.339 0.438 1.779 283 2HB TRP 487 1HB TRP 487 10.099 -0.383 0.420 284 HD1 TRP 487 HD TRP 487 10.062 2.885 1.541 285 HE1 TRP 487 1HE TRP 487 9.978 4.649 -0.330 286 HE3 TRP 487 3HE TRP 487 8.427 -0.076 -2.294 287 HZ2 TRP 487 2HZ TRP 487 9.306 4.771 -3.068 288 HZ3 TRP 487 3HZ TRP 487 8.088 0.943 -4.508 289 HH2 TRP 487 HH TRP 487 8.519 3.318 -4.885 290 H GLU 488 H GLU 488 8.287 -2.291 2.223 291 HA GLU 488 HA GLU 488 9.564 -4.295 0.719 292 1HB GLU 488 2HB GLU 488 9.221 -3.896 3.348 293 2HB GLU 488 1HB GLU 488 7.965 -5.098 3.088 294 1HG GLU 488 2HG GLU 488 9.454 -6.731 3.045 295 2HG GLU 488 1HG GLU 488 10.388 -5.915 1.792 296 H ASP 489 H ASP 489 8.618 -6.596 0.628 297 HA ASP 489 HA ASP 489 6.055 -6.410 -0.772 298 1HB ASP 489 2HB ASP 489 8.140 -8.600 -0.778 299 2HB ASP 489 1HB ASP 489 6.658 -8.609 -1.729 300 HA PRO 490 HA PRO 490 4.369 -8.380 2.927 301 1HB PRO 490 2HB PRO 490 1.763 -8.186 2.212 302 2HB PRO 490 1HB PRO 490 2.682 -6.823 2.861 303 1HG PRO 490 2HG PRO 490 1.985 -7.458 0.025 304 2HG PRO 490 1HG PRO 490 1.986 -5.895 0.856 305 1HD PRO 490 2HD PRO 490 3.991 -6.713 -0.794 306 2HD PRO 490 1HD PRO 490 4.239 -5.597 0.563 307 H ARG 491 H ARG 491 3.522 -9.199 -0.403 308 HA ARG 491 HA ARG 491 2.353 -11.726 0.247 309 1HB ARG 491 2HB ARG 491 2.711 -12.126 -2.273 310 2HB ARG 491 1HB ARG 491 1.607 -10.847 -1.787 311 1HG ARG 491 2HG ARG 491 3.119 -9.161 -2.366 312 2HG ARG 491 1HG ARG 491 4.483 -10.280 -2.412 313 1HD ARG 491 2HD ARG 491 2.217 -10.025 -4.372 314 2HD ARG 491 1HD ARG 491 3.941 -9.799 -4.663 315 HE ARG 491 HE ARG 491 2.496 -12.272 -4.667 316 1HH1 ARG 491 1HH1 ARG 491 5.609 -10.808 -4.124 317 2HH1 ARG 491 2HH1 ARG 491 6.495 -12.252 -4.485 318 1HH2 ARG 491 1HH2 ARG 491 3.651 -14.177 -5.143 319 2HH2 ARG 491 2HH2 ARG 491 5.381 -14.169 -5.065 320 H MET 492 H MET 492 5.570 -10.589 -0.279 321 HA MET 492 HA MET 492 6.662 -13.226 -0.779 322 1HB MET 492 2HB MET 492 7.500 -10.650 -1.354 323 2HB MET 492 1HB MET 492 8.578 -11.146 -0.057 324 1HG MET 492 2HG MET 492 8.165 -12.478 -2.717 325 2HG MET 492 1HG MET 492 9.622 -11.690 -2.112 326 1HE MET 492 1HE MET 492 11.219 -12.413 -0.975 327 2HE MET 492 2HE MET 492 11.704 -14.105 -1.084 328 3HE MET 492 3HE MET 492 11.055 -13.470 0.429 329 H GLN 493 H GLN 493 6.206 -11.049 1.898 330 HA GLN 493 HA GLN 493 8.062 -11.965 3.727 331 1HB GLN 493 2HB GLN 493 6.409 -10.053 3.983 332 2HB GLN 493 1HB GLN 493 5.220 -11.261 4.447 333 1HG GLN 493 2HG GLN 493 6.112 -11.552 6.488 334 2HG GLN 493 1HG GLN 493 7.767 -11.376 5.906 335 1HE2 GLN 493 1HE2 GLN 493 8.117 -9.022 5.006 336 2HE2 GLN 493 2HE2 GLN 493 7.648 -7.772 6.102 337 H ASN 494 H ASN 494 4.852 -13.290 2.997 338 HA ASN 494 HA ASN 494 5.067 -15.383 4.942 339 1HB ASN 494 2HB ASN 494 3.029 -16.288 3.702 340 2HB ASN 494 1HB ASN 494 2.860 -14.696 4.437 341 1HD2 ASN 494 1HD2 ASN 494 2.570 -16.502 1.621 342 2HD2 ASN 494 2HD2 ASN 494 2.314 -15.204 0.511 343 H VAL 495 H VAL 495 5.782 -17.424 4.711 344 HA VAL 495 HA VAL 495 6.716 -19.292 3.801 345 HB VAL 495 HB VAL 495 5.826 -18.267 1.107 346 1HG1 VAL 495 1HG1 VAL 495 7.393 -20.415 1.720 347 2HG1 VAL 495 2HG1 VAL 495 6.401 -20.264 0.270 348 3HG1 VAL 495 3HG1 VAL 495 5.785 -21.137 1.673 349 1HG2 VAL 495 1HG2 VAL 495 3.721 -19.248 1.407 350 2HG2 VAL 495 2HG2 VAL 495 4.019 -18.389 2.918 351 3HG2 VAL 495 3HG2 VAL 495 4.239 -20.138 2.838 352 H ALA 496 H ALA 496 8.549 -17.569 4.443 353 HA ALA 496 HA ALA 496 10.654 -18.022 2.595 354 1HB ALA 496 1HB ALA 496 10.954 -16.036 1.554 355 2HB ALA 496 2HB ALA 496 10.314 -15.103 2.907 356 3HB ALA 496 3HB ALA 496 9.211 -15.914 1.795 357 H ILE 497 H ILE 497 9.516 -16.009 5.279 358 HA ILE 497 HA ILE 497 10.495 -15.349 7.227 359 HB ILE 497 HB ILE 497 12.149 -17.858 6.929 360 1HG1 ILE 497 2HG1 ILE 497 9.914 -18.157 8.697 361 2HG1 ILE 497 1HG1 ILE 497 9.330 -17.586 7.136 362 1HG2 ILE 497 1HG2 ILE 497 11.227 -16.867 9.557 363 2HG2 ILE 497 2HG2 ILE 497 12.489 -15.934 8.754 364 3HG2 ILE 497 3HG2 ILE 497 12.744 -17.643 9.102 365 1HD1 ILE 497 1HD1 ILE 497 9.919 -19.495 6.055 366 2HD1 ILE 497 2HD1 ILE 497 9.619 -20.160 7.661 367 3HD1 ILE 497 3HD1 ILE 497 11.271 -19.828 7.136 368 H THR 498 H THR 498 11.503 -13.887 5.286 369 HA THR 498 HA THR 498 14.340 -14.083 4.992 370 HB THR 498 HB THR 498 14.237 -12.042 3.774 371 HG1 THR 498 1HG THR 498 12.800 -10.518 4.188 372 1HG2 THR 498 1HG2 THR 498 11.687 -13.600 3.335 373 2HG2 THR 498 2HG2 THR 498 13.253 -13.908 2.583 374 3HG2 THR 498 3HG2 THR 498 12.366 -12.432 2.200 375 H GLY 499 H GLY 499 15.881 -13.379 6.320 376 1HA GLY 499 2HA GLY 499 16.411 -11.185 7.614 377 2HA GLY 499 1HA GLY 499 15.080 -11.737 8.621 378 1H GLY 605 1HT GLY 605 18.593 9.577 -8.528 379 2H GLY 605 2HT GLY 605 17.665 8.270 -9.068 380 3H GLY 605 3HT GLY 605 18.976 8.813 -9.989 381 1HA GLY 605 1HA GLY 605 20.528 7.828 -8.683 382 2HA GLY 605 2HA GLY 605 19.531 7.985 -7.246 383 H SER 606 H SER 606 20.947 5.738 -8.961 384 HA SER 606 HA SER 606 18.672 3.874 -8.969 385 1HB SER 606 2HB SER 606 20.583 4.351 -10.917 386 2HB SER 606 1HB SER 606 21.156 2.875 -10.140 387 HG SER 606 HG SER 606 18.482 3.222 -11.006 388 H THR 607 H THR 607 21.737 4.570 -7.518 389 HA THR 607 HA THR 607 22.353 2.036 -6.464 390 HB THR 607 HB THR 607 23.064 4.411 -4.838 391 HG1 THR 607 1HG THR 607 23.835 4.055 -7.550 392 1HG2 THR 607 1HG2 THR 607 24.258 2.570 -4.160 393 2HG2 THR 607 2HG2 THR 607 25.372 3.236 -5.354 394 3HG2 THR 607 3HG2 THR 607 24.327 1.882 -5.783 395 H LEU 608 H LEU 608 20.677 4.805 -4.974 396 HA LEU 608 HA LEU 608 20.172 3.947 -2.465 397 1HB LEU 608 2HB LEU 608 19.393 6.080 -3.401 398 2HB LEU 608 1HB LEU 608 18.150 5.232 -4.301 399 HG LEU 608 HG LEU 608 17.528 4.421 -1.804 400 1HD1 LEU 608 1HD1 LEU 608 18.916 5.571 -0.417 401 2HD1 LEU 608 2HD1 LEU 608 17.634 6.771 -0.580 402 3HD1 LEU 608 3HD1 LEU 608 19.106 6.917 -1.541 403 1HD2 LEU 608 1HD2 LEU 608 16.675 6.735 -3.472 404 2HD2 LEU 608 2HD2 LEU 608 16.003 6.555 -1.851 405 3HD2 LEU 608 3HD2 LEU 608 15.794 5.269 -3.040 406 HA PRO 609 HA PRO 609 18.017 0.062 -3.485 407 1HB PRO 609 2HB PRO 609 18.531 -1.167 -1.139 408 2HB PRO 609 1HB PRO 609 19.737 -1.052 -2.427 409 1HG PRO 609 2HG PRO 609 19.443 0.610 0.046 410 2HG PRO 609 1HG PRO 609 20.913 -0.076 -0.671 411 1HD PRO 609 2HD PRO 609 20.169 2.520 -1.007 412 2HD PRO 609 1HD PRO 609 21.092 1.613 -2.221 413 H ILE 610 H ILE 610 17.789 1.907 -0.471 414 HA ILE 610 HA ILE 610 14.893 1.693 -0.562 415 HB ILE 610 HB ILE 610 15.002 1.207 2.021 416 1HG1 ILE 610 2HG1 ILE 610 17.412 -0.364 1.123 417 2HG1 ILE 610 1HG1 ILE 610 17.555 1.205 1.909 418 1HG2 ILE 610 1HG2 ILE 610 14.906 -1.284 1.511 419 2HG2 ILE 610 2HG2 ILE 610 15.191 -0.844 -0.172 420 3HG2 ILE 610 3HG2 ILE 610 13.755 -0.252 0.666 421 1HD1 ILE 610 1HD1 ILE 610 17.697 -1.010 3.285 422 2HD1 ILE 610 2HD1 ILE 610 15.937 -0.917 3.221 423 3HD1 ILE 610 3HD1 ILE 610 16.864 0.403 3.935 424 HA PRO 611 HA PRO 611 15.874 5.977 0.475 425 1HB PRO 611 2HB PRO 611 12.921 6.154 0.627 426 2HB PRO 611 1HB PRO 611 14.065 7.123 -0.309 427 1HG PRO 611 2HG PRO 611 12.502 5.291 -1.480 428 2HG PRO 611 1HG PRO 611 14.158 5.594 -2.035 429 1HD PRO 611 2HD PRO 611 13.087 3.340 -0.398 430 2HD PRO 611 1HD PRO 611 14.346 3.329 -1.648 431 H GLY 612 H GLY 612 13.106 4.384 2.089 432 1HA GLY 612 2HA GLY 612 13.710 3.928 4.547 433 2HA GLY 612 1HA GLY 612 13.957 5.666 4.600 434 H THR 613 H THR 613 12.078 7.031 4.053 435 HA THR 613 HA THR 613 9.864 6.409 5.613 436 HB THR 613 HB THR 613 8.739 8.322 4.537 437 HG1 THR 613 1HG THR 613 11.043 8.549 2.888 438 1HG2 THR 613 1HG2 THR 613 9.964 9.415 6.054 439 2HG2 THR 613 2HG2 THR 613 11.091 9.783 4.748 440 3HG2 THR 613 3HG2 THR 613 11.361 8.376 5.777 441 HA PRO 614 HA PRO 614 7.591 3.497 3.125 442 1HB PRO 614 2HB PRO 614 5.236 4.681 4.500 443 2HB PRO 614 1HB PRO 614 5.744 2.993 4.389 444 1HG PRO 614 2HG PRO 614 6.062 4.363 6.650 445 2HG PRO 614 1HG PRO 614 7.293 3.209 6.102 446 1HD PRO 614 2HD PRO 614 7.299 6.196 5.968 447 2HD PRO 614 1HD PRO 614 8.636 5.079 6.313 448 HA PRO 615 HA PRO 615 6.008 5.626 -0.397 449 1HB PRO 615 2HB PRO 615 3.696 3.753 -0.326 450 2HB PRO 615 1HB PRO 615 4.828 4.097 -1.639 451 1HG PRO 615 2HG PRO 615 5.005 1.827 -0.263 452 2HG PRO 615 1HG PRO 615 6.464 2.696 -0.776 453 1HD PRO 615 2HD PRO 615 5.186 2.562 1.925 454 2HD PRO 615 1HD PRO 615 6.908 2.578 1.491 455 HA PRO 616 HA PRO 616 2.784 8.505 0.465 456 1HB PRO 616 2HB PRO 616 1.130 7.509 -1.792 457 2HB PRO 616 1HB PRO 616 1.746 9.136 -1.480 458 1HG PRO 616 2HG PRO 616 2.829 7.611 -3.378 459 2HG PRO 616 1HG PRO 616 3.836 8.659 -2.362 460 1HD PRO 616 2HD PRO 616 3.425 5.701 -2.215 461 2HD PRO 616 1HD PRO 616 4.906 6.648 -1.967 462 H ASN 617 H ASN 617 1.496 8.275 2.172 463 HA ASN 617 HA ASN 617 0.105 5.945 2.857 464 1HB ASN 617 2HB ASN 617 0.777 7.834 4.405 465 2HB ASN 617 1HB ASN 617 -0.611 8.728 3.788 466 1HD2 ASN 617 1HD2 ASN 617 0.047 5.423 4.917 467 2HD2 ASN 617 2HD2 ASN 617 -1.319 5.331 5.969 468 H TYR 618 H TYR 618 -2.144 5.493 2.912 469 HA TYR 618 HA TYR 618 -3.506 6.050 0.517 470 1HB TYR 618 2HB TYR 618 -3.923 4.021 1.812 471 2HB TYR 618 1HB TYR 618 -4.576 4.980 3.136 472 HD1 TYR 618 1HD TYR 618 -5.197 3.720 -0.257 473 HD2 TYR 618 2HD TYR 618 -6.805 5.903 3.022 474 HE1 TYR 618 1HE TYR 618 -7.440 3.553 -1.253 475 HE2 TYR 618 2HE TYR 618 -9.051 5.742 2.034 476 HH TYR 618 HH TYR 618 -10.287 4.423 0.471 477 H ASP 619 H ASP 619 -3.627 7.534 3.695 478 HA ASP 619 HA ASP 619 -5.982 9.043 3.326 479 1HB ASP 619 2HB ASP 619 -4.223 8.630 5.405 480 2HB ASP 619 1HB ASP 619 -3.935 10.318 4.992 481 H SER 620 H SER 620 -2.725 9.466 2.228 482 HA SER 620 HA SER 620 -3.248 12.227 1.417 483 1HB SER 620 2HB SER 620 -0.982 11.046 2.419 484 2HB SER 620 1HB SER 620 -0.650 11.068 0.687 485 HG SER 620 HG SER 620 -1.142 13.325 0.734 486 H LEU 621 H LEU 621 -3.118 9.032 0.136 487 HA LEU 621 HA LEU 621 -2.581 9.741 -2.575 488 1HB LEU 621 2HB LEU 621 -3.413 7.305 -1.111 489 2HB LEU 621 1HB LEU 621 -3.846 7.376 -2.809 490 HG LEU 621 HG LEU 621 -1.053 7.584 -1.681 491 1HD1 LEU 621 1HD1 LEU 621 -2.568 5.397 -3.068 492 2HD1 LEU 621 2HD1 LEU 621 -1.690 5.335 -1.540 493 3HD1 LEU 621 3HD1 LEU 621 -0.806 5.453 -3.061 494 1HD2 LEU 621 1HD2 LEU 621 -2.107 7.791 -4.490 495 2HD2 LEU 621 2HD2 LEU 621 -0.426 7.405 -4.121 496 3HD2 LEU 621 3HD2 LEU 621 -1.110 8.949 -3.610 Start of MODEL 13 1 1H GLY 450 1HT GLY 450 15.907 -15.857 -15.016 2 2H GLY 450 2HT GLY 450 16.915 -16.890 -14.135 3 3H GLY 450 3HT GLY 450 16.637 -15.313 -13.590 4 1HA GLY 450 1HA GLY 450 15.283 -16.591 -12.225 5 2HA GLY 450 2HA GLY 450 14.200 -15.945 -13.449 6 H SER 451 H SER 451 13.790 -18.296 -11.852 7 HA SER 451 HA SER 451 12.837 -20.062 -13.799 8 1HB SER 451 2HB SER 451 15.508 -20.378 -13.689 9 2HB SER 451 1HB SER 451 15.034 -21.486 -12.402 10 HG SER 451 HG SER 451 14.213 -22.800 -13.835 11 HA PRO 452 HA PRO 452 11.356 -20.601 -9.414 12 1HB PRO 452 2HB PRO 452 8.814 -19.807 -9.783 13 2HB PRO 452 1HB PRO 452 10.120 -18.650 -9.499 14 1HG PRO 452 2HG PRO 452 8.824 -19.449 -12.076 15 2HG PRO 452 1HG PRO 452 9.286 -17.834 -11.511 16 1HD PRO 452 2HD PRO 452 10.784 -19.311 -13.257 17 2HD PRO 452 1HD PRO 452 11.469 -18.100 -12.156 18 H VAL 453 H VAL 453 10.912 -22.653 -8.940 19 HA VAL 453 HA VAL 453 9.717 -24.420 -10.870 20 HB VAL 453 HB VAL 453 10.365 -25.013 -7.979 21 1HG1 VAL 453 1HG1 VAL 453 9.515 -27.014 -8.423 22 2HG1 VAL 453 2HG1 VAL 453 10.770 -27.245 -9.639 23 3HG1 VAL 453 3HG1 VAL 453 9.213 -26.558 -10.099 24 1HG2 VAL 453 1HG2 VAL 453 12.262 -24.087 -9.466 25 2HG2 VAL 453 2HG2 VAL 453 12.180 -25.653 -10.274 26 3HG2 VAL 453 3HG2 VAL 453 12.547 -25.568 -8.551 27 H ASP 454 H ASP 454 8.869 -23.686 -7.482 28 HA ASP 454 HA ASP 454 6.032 -23.940 -8.234 29 1HB ASP 454 2HB ASP 454 7.047 -25.859 -6.847 30 2HB ASP 454 1HB ASP 454 7.083 -24.705 -5.518 31 H SER 455 H SER 455 8.380 -22.491 -6.029 32 HA SER 455 HA SER 455 8.230 -20.685 -4.594 33 1HB SER 455 2HB SER 455 6.710 -19.314 -6.793 34 2HB SER 455 1HB SER 455 7.993 -18.680 -5.764 35 HG SER 455 HG SER 455 9.478 -19.609 -7.005 36 H ASN 456 H ASN 456 6.296 -18.574 -4.546 37 HA ASN 456 HA ASN 456 3.890 -19.991 -3.614 38 1HB ASN 456 2HB ASN 456 5.338 -17.735 -2.214 39 2HB ASN 456 1HB ASN 456 3.765 -18.364 -1.732 40 1HD2 ASN 456 1HD2 ASN 456 3.640 -20.544 -0.992 41 2HD2 ASN 456 2HD2 ASN 456 5.020 -21.302 -0.279 42 H ASP 457 H ASP 457 3.262 -19.301 -5.861 43 HA ASP 457 HA ASP 457 2.827 -16.523 -6.374 44 1HB ASP 457 2HB ASP 457 3.042 -18.567 -8.031 45 2HB ASP 457 1HB ASP 457 1.297 -18.654 -7.812 46 H LEU 458 H LEU 458 1.397 -15.369 -5.266 47 HA LEU 458 HA LEU 458 -0.997 -16.637 -4.194 48 1HB LEU 458 2HB LEU 458 0.397 -14.030 -3.734 49 2HB LEU 458 1HB LEU 458 -1.281 -14.214 -3.259 50 HG LEU 458 HG LEU 458 0.996 -15.936 -2.279 51 1HD1 LEU 458 1HD1 LEU 458 1.402 -14.011 -1.137 52 2HD1 LEU 458 2HD1 LEU 458 0.170 -14.708 -0.087 53 3HD1 LEU 458 3HD1 LEU 458 -0.268 -13.457 -1.251 54 1HD2 LEU 458 1HD2 LEU 458 -0.570 -17.353 -1.602 55 2HD2 LEU 458 2HD2 LEU 458 -1.833 -16.319 -2.268 56 3HD2 LEU 458 3HD2 LEU 458 -1.274 -16.073 -0.613 57 H GLY 459 H GLY 459 -0.025 -14.350 -6.645 58 1HA GLY 459 2HA GLY 459 -1.408 -14.048 -8.591 59 2HA GLY 459 1HA GLY 459 -2.819 -14.269 -7.568 60 HA PRO 460 HA PRO 460 -2.745 -9.761 -8.142 61 1HB PRO 460 2HB PRO 460 -5.296 -9.372 -7.261 62 2HB PRO 460 1HB PRO 460 -4.901 -9.856 -8.914 63 1HG PRO 460 2HG PRO 460 -5.799 -11.542 -6.610 64 2HG PRO 460 1HG PRO 460 -6.307 -11.605 -8.308 65 1HD PRO 460 2HD PRO 460 -4.523 -13.347 -7.278 66 2HD PRO 460 1HD PRO 460 -4.428 -12.781 -8.957 67 H LEU 461 H LEU 461 -1.229 -10.363 -6.127 68 HA LEU 461 HA LEU 461 -0.538 -9.781 -4.041 69 1HB LEU 461 2HB LEU 461 -2.772 -7.827 -3.767 70 2HB LEU 461 1HB LEU 461 -1.088 -7.668 -3.305 71 HG LEU 461 HG LEU 461 -1.946 -7.720 -6.188 72 1HD1 LEU 461 1HD1 LEU 461 -1.330 -5.159 -4.821 73 2HD1 LEU 461 2HD1 LEU 461 -2.939 -5.851 -4.610 74 3HD1 LEU 461 3HD1 LEU 461 -2.344 -5.478 -6.229 75 1HD2 LEU 461 1HD2 LEU 461 0.509 -6.659 -4.795 76 2HD2 LEU 461 2HD2 LEU 461 0.197 -6.603 -6.530 77 3HD2 LEU 461 3HD2 LEU 461 0.411 -8.157 -5.722 78 HA PRO 462 HA PRO 462 -2.897 -11.817 -0.931 79 1HB PRO 462 2HB PRO 462 -2.413 -9.731 1.072 80 2HB PRO 462 1HB PRO 462 -1.817 -11.391 1.018 81 1HG PRO 462 2HG PRO 462 -0.189 -9.291 0.612 82 2HG PRO 462 1HG PRO 462 0.031 -10.827 -0.249 83 1HD PRO 462 2HD PRO 462 -1.245 -8.286 -1.206 84 2HD PRO 462 1HD PRO 462 -0.111 -9.361 -2.052 85 HA PRO 463 HA PRO 463 -6.934 -10.195 -0.180 86 1HB PRO 463 2HB PRO 463 -6.947 -10.885 2.657 87 2HB PRO 463 1HB PRO 463 -7.838 -11.626 1.329 88 1HG PRO 463 2HG PRO 463 -5.809 -12.877 2.623 89 2HG PRO 463 1HG PRO 463 -6.205 -13.180 0.923 90 1HD PRO 463 2HD PRO 463 -4.020 -11.508 2.092 91 2HD PRO 463 1HD PRO 463 -3.993 -12.569 0.670 92 H GLY 464 H GLY 464 -7.356 -8.074 -0.096 93 1HA GLY 464 2HA GLY 464 -7.766 -6.021 0.925 94 2HA GLY 464 1HA GLY 464 -7.012 -6.631 2.391 95 H TRP 465 H TRP 465 -5.682 -6.505 -0.881 96 HA TRP 465 HA TRP 465 -3.800 -4.418 -0.046 97 1HB TRP 465 2HB TRP 465 -3.105 -7.192 -0.959 98 2HB TRP 465 1HB TRP 465 -2.013 -5.853 -1.294 99 HD1 TRP 465 HD TRP 465 -3.404 -7.908 1.619 100 HE1 TRP 465 1HE TRP 465 -1.892 -7.521 3.665 101 HE3 TRP 465 3HE TRP 465 -0.447 -4.186 -0.258 102 HZ2 TRP 465 2HZ TRP 465 0.268 -5.861 4.378 103 HZ3 TRP 465 3HZ TRP 465 1.324 -3.252 1.176 104 HH2 TRP 465 HH TRP 465 1.670 -4.075 3.449 105 H GLU 466 H GLU 466 -2.538 -3.561 -1.905 106 HA GLU 466 HA GLU 466 -3.677 -3.988 -4.540 107 1HB GLU 466 2HB GLU 466 -4.391 -1.726 -2.848 108 2HB GLU 466 1HB GLU 466 -3.701 -1.220 -4.382 109 1HG GLU 466 2HG GLU 466 -5.370 -2.873 -5.432 110 2HG GLU 466 1HG GLU 466 -6.180 -2.806 -3.868 111 H GLU 467 H GLU 467 -2.367 -3.245 -6.226 112 HA GLU 467 HA GLU 467 0.382 -2.651 -5.423 113 1HB GLU 467 2HB GLU 467 1.003 -3.285 -7.683 114 2HB GLU 467 1HB GLU 467 -0.016 -4.531 -6.974 115 1HG GLU 467 2HG GLU 467 -1.941 -3.254 -8.169 116 2HG GLU 467 1HG GLU 467 -0.636 -2.589 -9.151 117 H ARG 468 H ARG 468 0.620 -0.502 -5.097 118 HA ARG 468 HA ARG 468 -0.500 1.352 -7.075 119 1HB ARG 468 2HB ARG 468 0.129 1.511 -4.210 120 2HB ARG 468 1HB ARG 468 0.595 2.934 -5.131 121 1HG ARG 468 2HG ARG 468 -2.156 1.741 -5.277 122 2HG ARG 468 1HG ARG 468 -1.702 2.960 -4.084 123 1HD ARG 468 2HD ARG 468 -2.602 4.235 -5.797 124 2HD ARG 468 1HD ARG 468 -0.873 4.306 -6.132 125 HE ARG 468 HE ARG 468 -1.252 3.197 -8.090 126 1HH1 ARG 468 1HH1 ARG 468 -4.000 2.745 -5.998 127 2HH1 ARG 468 2HH1 ARG 468 -4.949 1.940 -7.203 128 1HH2 ARG 468 1HH2 ARG 468 -2.492 2.138 -9.684 129 2HH2 ARG 468 2HH2 ARG 468 -4.091 1.595 -9.298 130 H THR 469 H THR 469 0.775 2.864 -8.145 131 HA THR 469 HA THR 469 3.566 2.077 -8.437 132 HB THR 469 HB THR 469 3.389 3.950 -10.289 133 HG1 THR 469 1HG THR 469 1.243 4.569 -9.591 134 1HG2 THR 469 1HG2 THR 469 3.642 2.089 -11.487 135 2HG2 THR 469 2HG2 THR 469 1.892 1.871 -11.453 136 3HG2 THR 469 3HG2 THR 469 2.898 1.122 -10.214 137 H HIS 470 H HIS 470 5.211 3.163 -7.584 138 HA HIS 470 HA HIS 470 4.732 5.532 -6.029 139 1HB HIS 470 2HB HIS 470 6.385 3.612 -5.516 140 2HB HIS 470 1HB HIS 470 7.454 4.415 -6.663 141 HD2 HIS 470 2HD HIS 470 8.886 6.475 -5.664 142 HE1 HIS 470 1HE HIS 470 6.847 6.750 -1.965 143 HE2 HIS 470 2HE HIS 470 8.705 7.718 -3.394 144 H THR 471 H THR 471 5.984 7.513 -6.262 145 HA THR 471 HA THR 471 5.734 8.677 -8.780 146 HB THR 471 HB THR 471 7.721 9.698 -6.769 147 HG1 THR 471 1HG THR 471 4.898 9.582 -6.567 148 1HG2 THR 471 1HG2 THR 471 6.088 10.795 -8.983 149 2HG2 THR 471 2HG2 THR 471 7.702 11.249 -8.432 150 3HG2 THR 471 3HG2 THR 471 6.279 11.818 -7.558 151 H ASP 472 H ASP 472 8.266 6.723 -7.498 152 HA ASP 472 HA ASP 472 10.230 7.633 -9.435 153 1HB ASP 472 2HB ASP 472 10.308 5.506 -7.291 154 2HB ASP 472 1HB ASP 472 11.649 5.827 -8.388 155 H GLY 473 H GLY 473 7.708 5.360 -9.329 156 1HA GLY 473 2HA GLY 473 7.113 4.278 -11.410 157 2HA GLY 473 1HA GLY 473 8.826 4.027 -11.707 158 H ARG 474 H ARG 474 9.001 3.309 -8.708 159 HA ARG 474 HA ARG 474 8.674 0.481 -9.111 160 1HB ARG 474 2HB ARG 474 9.532 2.078 -6.691 161 2HB ARG 474 1HB ARG 474 9.531 0.322 -6.769 162 1HG ARG 474 2HG ARG 474 11.291 0.258 -8.275 163 2HG ARG 474 1HG ARG 474 11.036 1.927 -8.793 164 1HD ARG 474 2HD ARG 474 11.908 2.776 -6.744 165 2HD ARG 474 1HD ARG 474 11.928 1.169 -6.018 166 HE ARG 474 HE ARG 474 13.548 1.169 -8.316 167 1HH1 ARG 474 1HH1 ARG 474 13.470 2.440 -5.075 168 2HH1 ARG 474 2HH1 ARG 474 15.193 2.493 -4.915 169 1HH2 ARG 474 1HH2 ARG 474 15.822 1.231 -8.115 170 2HH2 ARG 474 2HH2 ARG 474 16.531 1.806 -6.642 171 H VAL 475 H VAL 475 6.833 -0.579 -8.801 172 HA VAL 475 HA VAL 475 4.608 0.667 -7.477 173 HB VAL 475 HB VAL 475 4.307 -0.749 -9.467 174 1HG1 VAL 475 1HG1 VAL 475 4.678 -3.077 -9.492 175 2HG1 VAL 475 2HG1 VAL 475 4.872 -3.158 -7.738 176 3HG1 VAL 475 3HG1 VAL 475 6.108 -2.390 -8.728 177 1HG2 VAL 475 1HG2 VAL 475 2.898 -1.549 -6.916 178 2HG2 VAL 475 2HG2 VAL 475 2.376 -2.110 -8.508 179 3HG2 VAL 475 3HG2 VAL 475 2.383 -0.391 -8.139 180 H PHE 476 H PHE 476 4.466 0.731 -5.340 181 HA PHE 476 HA PHE 476 5.675 -1.350 -3.711 182 1HB PHE 476 2HB PHE 476 5.106 0.102 -1.803 183 2HB PHE 476 1HB PHE 476 6.016 0.973 -3.034 184 HD1 PHE 476 1HD PHE 476 2.925 0.733 -1.203 185 HD2 PHE 476 2HD PHE 476 4.846 2.590 -4.512 186 HE1 PHE 476 1HE PHE 476 1.156 2.445 -1.261 187 HE2 PHE 476 2HE PHE 476 3.084 4.307 -4.577 188 HZ PHE 476 HZ PHE 476 1.236 4.236 -2.951 189 H PHE 477 H PHE 477 4.116 -1.575 -1.538 190 HA PHE 477 HA PHE 477 1.586 -2.650 -2.604 191 1HB PHE 477 2HB PHE 477 3.261 -3.709 -0.317 192 2HB PHE 477 1HB PHE 477 1.717 -4.374 -0.840 193 HD1 PHE 477 1HD PHE 477 5.037 -3.479 -2.291 194 HD2 PHE 477 2HD PHE 477 1.770 -6.204 -2.218 195 HE1 PHE 477 1HE PHE 477 6.211 -4.923 -3.902 196 HE2 PHE 477 2HE PHE 477 2.938 -7.653 -3.828 197 HZ PHE 477 HZ PHE 477 5.161 -7.014 -4.672 198 H ILE 478 H ILE 478 -0.277 -2.505 -1.309 199 HA ILE 478 HA ILE 478 -0.130 -0.904 1.131 200 HB ILE 478 HB ILE 478 -0.499 0.698 -0.743 201 1HG1 ILE 478 2HG1 ILE 478 -2.731 0.303 1.248 202 2HG1 ILE 478 1HG1 ILE 478 -1.355 1.388 1.373 203 1HG2 ILE 478 1HG2 ILE 478 -3.079 -0.782 -1.147 204 2HG2 ILE 478 2HG2 ILE 478 -1.692 -0.818 -2.237 205 3HG2 ILE 478 3HG2 ILE 478 -2.577 0.685 -1.985 206 1HD1 ILE 478 1HD1 ILE 478 -2.558 2.326 -0.880 207 2HD1 ILE 478 2HD1 ILE 478 -2.831 2.956 0.746 208 3HD1 ILE 478 3HD1 ILE 478 -3.946 1.773 0.059 209 H ASN 479 H ASN 479 -1.655 -1.487 2.618 210 HA ASN 479 HA ASN 479 -3.441 -3.669 1.843 211 1HB ASN 479 2HB ASN 479 -3.549 -4.260 4.142 212 2HB ASN 479 1HB ASN 479 -1.864 -3.875 3.813 213 1HD2 ASN 479 1HD2 ASN 479 -2.687 -3.906 6.362 214 2HD2 ASN 479 2HD2 ASN 479 -2.776 -2.303 6.999 215 H HIS 480 H HIS 480 -5.637 -3.715 2.826 216 HA HIS 480 HA HIS 480 -6.786 -1.004 2.947 217 1HB HIS 480 2HB HIS 480 -7.542 -3.362 1.348 218 2HB HIS 480 1HB HIS 480 -8.883 -2.528 2.124 219 HD2 HIS 480 2HD HIS 480 -5.758 -1.018 0.232 220 HE1 HIS 480 1HE HIS 480 -9.351 0.556 -1.357 221 HE2 HIS 480 2HE HIS 480 -6.821 0.738 -1.352 222 H ASN 481 H ASN 481 -5.920 -3.053 5.057 223 HA ASN 481 HA ASN 481 -8.468 -3.593 6.370 224 1HB ASN 481 2HB ASN 481 -5.800 -4.210 7.594 225 2HB ASN 481 1HB ASN 481 -7.329 -5.062 7.778 226 1HD2 ASN 481 1HD2 ASN 481 -4.534 -4.584 5.786 227 2HD2 ASN 481 2HD2 ASN 481 -4.772 -5.954 4.763 228 H ILE 482 H ILE 482 -5.446 -1.840 6.987 229 HA ILE 482 HA ILE 482 -6.926 -0.128 8.871 230 HB ILE 482 HB ILE 482 -4.678 0.128 10.080 231 1HG1 ILE 482 2HG1 ILE 482 -4.185 -2.449 8.574 232 2HG1 ILE 482 1HG1 ILE 482 -3.255 -0.961 8.441 233 1HG2 ILE 482 1HG2 ILE 482 -6.777 -1.809 10.317 234 2HG2 ILE 482 2HG2 ILE 482 -5.862 -0.993 11.584 235 3HG2 ILE 482 3HG2 ILE 482 -5.257 -2.496 10.890 236 1HD1 ILE 482 1HD1 ILE 482 -1.926 -2.248 9.800 237 2HD1 ILE 482 2HD1 ILE 482 -3.299 -2.976 10.634 238 3HD1 ILE 482 3HD1 ILE 482 -2.841 -1.309 10.980 239 H LYS 483 H LYS 483 -6.260 0.159 6.020 240 HA LYS 483 HA LYS 483 -5.312 1.618 4.536 241 1HB LYS 483 2HB LYS 483 -5.951 3.471 6.836 242 2HB LYS 483 1HB LYS 483 -5.595 3.997 5.197 243 1HG LYS 483 2HG LYS 483 -7.967 4.011 5.527 244 2HG LYS 483 1HG LYS 483 -7.554 2.715 4.401 245 1HD LYS 483 2HD LYS 483 -8.082 1.061 5.896 246 2HD LYS 483 1HD LYS 483 -7.716 2.065 7.300 247 1HE LYS 483 2HE LYS 483 -9.968 2.120 7.482 248 2HE LYS 483 1HE LYS 483 -9.803 3.427 6.311 249 1HZ LYS 483 1HZ LYS 483 -10.261 0.595 5.554 250 2HZ LYS 483 2HZ LYS 483 -10.329 1.950 4.544 251 3HZ LYS 483 3HZ LYS 483 -11.506 1.727 5.739 252 H LYS 484 H LYS 484 -3.197 0.654 4.676 253 HA LYS 484 HA LYS 484 -1.203 2.591 5.509 254 1HB LYS 484 2HB LYS 484 -1.766 0.657 7.308 255 2HB LYS 484 1HB LYS 484 -0.561 -0.179 6.338 256 1HG LYS 484 2HG LYS 484 1.130 1.178 7.010 257 2HG LYS 484 1HG LYS 484 0.074 2.576 7.223 258 1HD LYS 484 2HD LYS 484 0.084 2.174 9.412 259 2HD LYS 484 1HD LYS 484 -0.788 0.673 9.092 260 1HE LYS 484 2HE LYS 484 2.045 0.409 8.555 261 2HE LYS 484 1HE LYS 484 1.743 0.929 10.212 262 1HZ LYS 484 1HZ LYS 484 1.101 -1.108 10.739 263 2HZ LYS 484 2HZ LYS 484 1.535 -1.634 9.192 264 3HZ LYS 484 3HZ LYS 484 -0.052 -1.135 9.502 265 H THR 485 H THR 485 1.025 1.861 4.785 266 HA THR 485 HA THR 485 0.976 0.009 2.528 267 HB THR 485 HB THR 485 0.472 2.135 1.468 268 HG1 THR 485 1HG THR 485 2.002 0.662 0.474 269 1HG2 THR 485 1HG2 THR 485 3.077 3.216 2.521 270 2HG2 THR 485 2HG2 THR 485 1.540 3.500 3.338 271 3HG2 THR 485 3HG2 THR 485 1.786 4.086 1.693 272 H GLN 486 H GLN 486 3.228 -0.310 1.628 273 HA GLN 486 HA GLN 486 5.432 0.367 3.354 274 1HB GLN 486 2HB GLN 486 5.994 -2.125 3.633 275 2HB GLN 486 1HB GLN 486 4.742 -1.449 4.667 276 1HG GLN 486 2HG GLN 486 3.033 -2.516 3.511 277 2HG GLN 486 1HG GLN 486 4.034 -2.775 2.085 278 1HE2 GLN 486 1HE2 GLN 486 5.513 -4.450 2.061 279 2HE2 GLN 486 2HE2 GLN 486 5.439 -5.755 3.187 280 H TRP 487 H TRP 487 7.439 0.012 2.391 281 HA TRP 487 HA TRP 487 7.435 -0.098 -0.455 282 1HB TRP 487 2HB TRP 487 9.420 0.346 1.682 283 2HB TRP 487 1HB TRP 487 10.064 -0.378 0.212 284 HD1 TRP 487 HD TRP 487 9.784 2.868 1.641 285 HE1 TRP 487 1HE TRP 487 9.675 4.728 -0.135 286 HE3 TRP 487 3HE TRP 487 8.643 0.020 -2.449 287 HZ2 TRP 487 2HZ TRP 487 9.170 4.958 -2.901 288 HZ3 TRP 487 3HZ TRP 487 8.363 1.139 -4.624 289 HH2 TRP 487 HH TRP 487 8.622 3.557 -4.843 290 H GLU 488 H GLU 488 8.359 -2.342 2.107 291 HA GLU 488 HA GLU 488 9.524 -4.321 0.492 292 1HB GLU 488 2HB GLU 488 8.490 -4.134 3.245 293 2HB GLU 488 1HB GLU 488 8.463 -5.753 2.557 294 1HG GLU 488 2HG GLU 488 10.824 -5.679 2.143 295 2HG GLU 488 1HG GLU 488 10.899 -3.989 2.641 296 H ASP 489 H ASP 489 8.497 -6.623 0.440 297 HA ASP 489 HA ASP 489 5.832 -6.332 -0.768 298 1HB ASP 489 2HB ASP 489 7.908 -8.480 -1.234 299 2HB ASP 489 1HB ASP 489 6.363 -8.339 -2.067 300 HA PRO 490 HA PRO 490 4.605 -8.686 2.904 301 1HB PRO 490 2HB PRO 490 1.928 -8.564 2.401 302 2HB PRO 490 1HB PRO 490 2.834 -7.255 3.166 303 1HG PRO 490 2HG PRO 490 1.971 -7.549 0.319 304 2HG PRO 490 1HG PRO 490 1.949 -6.111 1.350 305 1HD PRO 490 2HD PRO 490 3.869 -6.538 -0.505 306 2HD PRO 490 1HD PRO 490 4.190 -5.684 1.018 307 H ARG 491 H ARG 491 3.389 -9.206 -0.378 308 HA ARG 491 HA ARG 491 2.492 -11.875 0.128 309 1HB ARG 491 2HB ARG 491 2.405 -11.973 -2.416 310 2HB ARG 491 1HB ARG 491 1.398 -10.758 -1.640 311 1HG ARG 491 2HG ARG 491 2.705 -9.009 -2.369 312 2HG ARG 491 1HG ARG 491 4.135 -10.024 -2.571 313 1HD ARG 491 2HD ARG 491 1.666 -10.025 -4.302 314 2HD ARG 491 1HD ARG 491 3.252 -9.391 -4.736 315 HE ARG 491 HE ARG 491 3.773 -11.974 -4.144 316 1HH1 ARG 491 1HH1 ARG 491 1.445 -10.428 -6.222 317 2HH1 ARG 491 2HH1 ARG 491 1.387 -11.741 -7.351 318 1HH2 ARG 491 1HH2 ARG 491 3.706 -13.709 -5.624 319 2HH2 ARG 491 2HH2 ARG 491 2.672 -13.607 -7.010 320 H MET 492 H MET 492 5.503 -10.420 -0.738 321 HA MET 492 HA MET 492 6.670 -12.890 -1.706 322 1HB MET 492 2HB MET 492 7.202 -10.319 -2.296 323 2HB MET 492 1HB MET 492 8.394 -10.572 -1.029 324 1HG MET 492 2HG MET 492 9.320 -10.979 -3.245 325 2HG MET 492 1HG MET 492 9.343 -12.434 -2.250 326 1HE MET 492 1HE MET 492 8.355 -12.199 -6.338 327 2HE MET 492 2HE MET 492 8.961 -10.931 -5.272 328 3HE MET 492 3HE MET 492 7.249 -10.986 -5.692 329 H GLN 493 H GLN 493 6.420 -11.104 1.245 330 HA GLN 493 HA GLN 493 8.469 -12.761 2.526 331 1HB GLN 493 2HB GLN 493 8.523 -10.290 2.854 332 2HB GLN 493 1HB GLN 493 6.958 -10.394 3.648 333 1HG GLN 493 2HG GLN 493 8.619 -10.265 5.332 334 2HG GLN 493 1HG GLN 493 7.990 -11.911 5.328 335 1HE2 GLN 493 1HE2 GLN 493 10.434 -10.211 3.396 336 2HE2 GLN 493 2HE2 GLN 493 11.702 -11.346 3.688 337 H ASN 494 H ASN 494 6.556 -14.404 1.954 338 HA ASN 494 HA ASN 494 4.414 -14.476 3.859 339 1HB ASN 494 2HB ASN 494 5.434 -16.497 1.858 340 2HB ASN 494 1HB ASN 494 4.039 -16.781 2.895 341 1HD2 ASN 494 1HD2 ASN 494 4.368 -16.509 -0.057 342 2HD2 ASN 494 2HD2 ASN 494 3.214 -15.310 -0.520 343 H VAL 495 H VAL 495 7.146 -16.699 3.276 344 HA VAL 495 HA VAL 495 8.234 -18.152 4.659 345 HB VAL 495 HB VAL 495 7.777 -16.225 6.916 346 1HG1 VAL 495 1HG1 VAL 495 10.238 -16.828 7.267 347 2HG1 VAL 495 2HG1 VAL 495 9.959 -18.114 6.094 348 3HG1 VAL 495 3HG1 VAL 495 9.036 -18.075 7.597 349 1HG2 VAL 495 1HG2 VAL 495 9.743 -15.828 4.661 350 2HG2 VAL 495 2HG2 VAL 495 9.597 -14.832 6.109 351 3HG2 VAL 495 3HG2 VAL 495 8.286 -14.870 4.930 352 H ALA 496 H ALA 496 6.561 -19.732 4.611 353 HA ALA 496 HA ALA 496 5.628 -20.481 7.189 354 1HB ALA 496 1HB ALA 496 3.894 -18.806 5.652 355 2HB ALA 496 2HB ALA 496 3.643 -19.493 7.256 356 3HB ALA 496 3HB ALA 496 3.168 -20.404 5.824 357 H ILE 497 H ILE 497 5.842 -22.612 7.170 358 HA ILE 497 HA ILE 497 5.834 -24.788 6.503 359 HB ILE 497 HB ILE 497 3.860 -23.887 4.403 360 1HG1 ILE 497 2HG1 ILE 497 2.552 -25.194 6.530 361 2HG1 ILE 497 1HG1 ILE 497 3.642 -24.028 7.275 362 1HG2 ILE 497 1HG2 ILE 497 3.366 -26.506 5.360 363 2HG2 ILE 497 2HG2 ILE 497 5.075 -26.400 4.935 364 3HG2 ILE 497 3HG2 ILE 497 3.842 -26.002 3.739 365 1HD1 ILE 497 1HD1 ILE 497 1.876 -22.656 6.997 366 2HD1 ILE 497 2HD1 ILE 497 1.226 -23.579 5.640 367 3HD1 ILE 497 3HD1 ILE 497 2.570 -22.465 5.387 368 H THR 498 H THR 498 8.026 -23.636 5.681 369 HA THR 498 HA THR 498 8.357 -23.740 2.816 370 HB THR 498 HB THR 498 10.737 -23.257 3.284 371 HG1 THR 498 1HG THR 498 10.847 -24.360 5.321 372 1HG2 THR 498 1HG2 THR 498 9.679 -21.241 5.032 373 2HG2 THR 498 2HG2 THR 498 8.515 -21.595 3.757 374 3HG2 THR 498 3HG2 THR 498 10.157 -21.107 3.340 375 H GLY 499 H GLY 499 9.026 -25.420 1.635 376 1HA GLY 499 2HA GLY 499 10.825 -27.289 1.817 377 2HA GLY 499 1HA GLY 499 9.736 -27.889 3.059 378 1H GLY 605 1HT GLY 605 21.662 4.548 -0.285 379 2H GLY 605 2HT GLY 605 21.528 3.507 -1.612 380 3H GLY 605 3HT GLY 605 22.955 3.539 -0.704 381 1HA GLY 605 1HA GLY 605 20.937 3.009 1.107 382 2HA GLY 605 2HA GLY 605 20.609 2.003 -0.295 383 H SER 606 H SER 606 22.707 2.588 2.387 384 HA SER 606 HA SER 606 24.250 0.176 1.685 385 1HB SER 606 2HB SER 606 25.272 2.170 3.671 386 2HB SER 606 1HB SER 606 26.170 1.088 2.608 387 HG SER 606 HG SER 606 25.969 3.507 2.133 388 H THR 607 H THR 607 22.977 2.044 4.433 389 HA THR 607 HA THR 607 22.511 -0.501 5.835 390 HB THR 607 HB THR 607 23.111 0.512 7.962 391 HG1 THR 607 1HG THR 607 22.735 2.657 7.759 392 1HG2 THR 607 1HG2 THR 607 25.588 1.295 6.932 393 2HG2 THR 607 2HG2 THR 607 24.970 0.100 5.793 394 3HG2 THR 607 3HG2 THR 607 25.132 -0.310 7.501 395 H LEU 608 H LEU 608 21.691 2.948 5.657 396 HA LEU 608 HA LEU 608 19.418 2.913 7.265 397 1HB LEU 608 2HB LEU 608 20.409 4.987 6.561 398 2HB LEU 608 1HB LEU 608 20.097 4.618 4.876 399 HG LEU 608 HG LEU 608 17.644 4.606 6.415 400 1HD1 LEU 608 1HD1 LEU 608 19.540 6.820 6.844 401 2HD1 LEU 608 2HD1 LEU 608 18.192 6.266 7.838 402 3HD1 LEU 608 3HD1 LEU 608 17.890 7.284 6.429 403 1HD2 LEU 608 1HD2 LEU 608 18.103 4.815 3.887 404 2HD2 LEU 608 2HD2 LEU 608 18.395 6.519 4.237 405 3HD2 LEU 608 3HD2 LEU 608 16.826 5.801 4.598 406 HA PRO 609 HA PRO 609 16.919 0.432 4.422 407 1HB PRO 609 2HB PRO 609 15.091 -0.376 6.215 408 2HB PRO 609 1HB PRO 609 16.717 -1.068 6.168 409 1HG PRO 609 2HG PRO 609 15.582 0.989 8.014 410 2HG PRO 609 1HG PRO 609 16.680 -0.356 8.370 411 1HD PRO 609 2HD PRO 609 17.470 2.265 8.023 412 2HD PRO 609 1HD PRO 609 18.527 0.857 7.810 413 H ILE 610 H ILE 610 15.509 2.651 6.827 414 HA ILE 610 HA ILE 610 13.738 3.689 4.730 415 HB ILE 610 HB ILE 610 12.793 3.166 7.546 416 1HG1 ILE 610 2HG1 ILE 610 12.150 1.599 5.039 417 2HG1 ILE 610 1HG1 ILE 610 13.251 1.057 6.301 418 1HG2 ILE 610 1HG2 ILE 610 11.802 5.006 5.975 419 2HG2 ILE 610 2HG2 ILE 610 10.733 3.957 6.906 420 3HG2 ILE 610 3HG2 ILE 610 11.018 3.632 5.197 421 1HD1 ILE 610 1HD1 ILE 610 11.330 -0.035 6.879 422 2HD1 ILE 610 2HD1 ILE 610 10.287 1.279 6.336 423 3HD1 ILE 610 3HD1 ILE 610 11.182 1.430 7.849 424 HA PRO 611 HA PRO 611 15.594 7.420 6.442 425 1HB PRO 611 2HB PRO 611 14.360 9.174 4.770 426 2HB PRO 611 1HB PRO 611 15.762 8.211 4.293 427 1HG PRO 611 2HG PRO 611 12.858 7.731 3.745 428 2HG PRO 611 1HG PRO 611 14.248 7.557 2.656 429 1HD PRO 611 2HD PRO 611 13.088 5.441 3.874 430 2HD PRO 611 1HD PRO 611 14.827 5.497 3.518 431 H GLY 612 H GLY 612 12.123 7.341 5.612 432 1HA GLY 612 2HA GLY 612 11.575 8.604 8.216 433 2HA GLY 612 1HA GLY 612 10.851 9.262 6.757 434 H THR 613 H THR 613 9.140 8.200 5.783 435 HA THR 613 HA THR 613 8.100 5.844 7.212 436 HB THR 613 HB THR 613 5.790 6.906 6.444 437 HG1 THR 613 1HG THR 613 6.044 8.896 5.789 438 1HG2 THR 613 1HG2 THR 613 7.399 7.079 8.883 439 2HG2 THR 613 2HG2 THR 613 5.710 6.618 8.670 440 3HG2 THR 613 3HG2 THR 613 6.154 8.322 8.763 441 HA PRO 614 HA PRO 614 7.485 3.636 3.462 442 1HB PRO 614 2HB PRO 614 4.556 3.633 4.039 443 2HB PRO 614 1HB PRO 614 5.628 2.283 3.649 444 1HG PRO 614 2HG PRO 614 4.817 2.682 6.149 445 2HG PRO 614 1HG PRO 614 6.477 2.160 5.805 446 1HD PRO 614 2HD PRO 614 5.461 4.846 6.610 447 2HD PRO 614 1HD PRO 614 6.994 4.048 7.017 448 HA PRO 615 HA PRO 615 6.057 5.969 -0.003 449 1HB PRO 615 2HB PRO 615 3.764 4.129 -0.485 450 2HB PRO 615 1HB PRO 615 5.040 4.652 -1.590 451 1HG PRO 615 2HG PRO 615 5.074 2.206 -0.539 452 2HG PRO 615 1HG PRO 615 6.574 3.127 -0.753 453 1HD PRO 615 2HD PRO 615 5.012 2.598 1.736 454 2HD PRO 615 1HD PRO 615 6.769 2.706 1.507 455 HA PRO 616 HA PRO 616 2.648 8.713 0.614 456 1HB PRO 616 2HB PRO 616 1.083 7.575 -1.651 457 2HB PRO 616 1HB PRO 616 1.556 9.249 -1.338 458 1HG PRO 616 2HG PRO 616 2.800 7.820 -3.205 459 2HG PRO 616 1HG PRO 616 3.703 8.937 -2.163 460 1HD PRO 616 2HD PRO 616 3.527 5.956 -2.049 461 2HD PRO 616 1HD PRO 616 4.913 7.019 -1.729 462 H ASN 617 H ASN 617 1.308 8.508 2.275 463 HA ASN 617 HA ASN 617 0.051 6.132 3.051 464 1HB ASN 617 2HB ASN 617 0.571 8.117 4.522 465 2HB ASN 617 1HB ASN 617 -0.831 8.918 3.821 466 1HD2 ASN 617 1HD2 ASN 617 -0.265 5.584 4.889 467 2HD2 ASN 617 2HD2 ASN 617 -1.585 5.537 6.002 468 H TYR 618 H TYR 618 -2.169 5.548 3.095 469 HA TYR 618 HA TYR 618 -3.508 5.873 0.650 470 1HB TYR 618 2HB TYR 618 -3.796 3.933 2.177 471 2HB TYR 618 1HB TYR 618 -4.682 4.971 3.288 472 HD1 TYR 618 1HD TYR 618 -6.964 4.707 3.234 473 HD2 TYR 618 2HD TYR 618 -4.772 4.198 -0.376 474 HE1 TYR 618 1HE TYR 618 -9.055 4.203 2.044 475 HE2 TYR 618 2HE TYR 618 -6.858 3.693 -1.577 476 HH TYR 618 HH TYR 618 -9.766 3.003 -0.004 477 H ASP 619 H ASP 619 -3.796 7.558 3.716 478 HA ASP 619 HA ASP 619 -6.220 8.901 3.181 479 1HB ASP 619 2HB ASP 619 -4.014 9.156 5.135 480 2HB ASP 619 1HB ASP 619 -4.942 10.624 4.843 481 H SER 620 H SER 620 -2.972 9.413 2.117 482 HA SER 620 HA SER 620 -3.595 12.094 1.127 483 1HB SER 620 2HB SER 620 -1.321 11.130 2.265 484 2HB SER 620 1HB SER 620 -0.938 10.937 0.554 485 HG SER 620 HG SER 620 -1.755 13.326 1.853 486 H LEU 621 H LEU 621 -3.368 8.838 0.055 487 HA LEU 621 HA LEU 621 -2.759 9.358 -2.679 488 1HB LEU 621 2HB LEU 621 -3.635 7.032 -1.071 489 2HB LEU 621 1HB LEU 621 -4.014 6.979 -2.782 490 HG LEU 621 HG LEU 621 -1.242 7.367 -1.650 491 1HD1 LEU 621 1HD1 LEU 621 -2.714 4.934 -2.603 492 2HD1 LEU 621 2HD1 LEU 621 -1.799 5.165 -1.113 493 3HD1 LEU 621 3HD1 LEU 621 -0.954 5.030 -2.655 494 1HD2 LEU 621 1HD2 LEU 621 -0.531 6.916 -3.961 495 2HD2 LEU 621 2HD2 LEU 621 -1.503 8.381 -3.835 496 3HD2 LEU 621 3HD2 LEU 621 -2.221 6.898 -4.464 Start of MODEL 14 1 1H GLY 450 1HT GLY 450 8.200 -32.003 -1.616 2 2H GLY 450 2HT GLY 450 9.075 -33.451 -1.666 3 3H GLY 450 3HT GLY 450 7.954 -33.099 -2.883 4 1HA GLY 450 1HA GLY 450 10.514 -31.692 -2.362 5 2HA GLY 450 2HA GLY 450 10.149 -32.725 -3.735 6 H SER 451 H SER 451 8.739 -31.970 -5.361 7 HA SER 451 HA SER 451 8.374 -29.046 -5.336 8 1HB SER 451 2HB SER 451 9.444 -30.884 -7.358 9 2HB SER 451 1HB SER 451 8.237 -29.762 -7.987 10 HG SER 451 HG SER 451 10.599 -29.095 -6.561 11 HA PRO 452 HA PRO 452 4.098 -30.733 -5.402 12 1HB PRO 452 2HB PRO 452 2.991 -28.581 -4.163 13 2HB PRO 452 1HB PRO 452 3.739 -29.920 -3.285 14 1HG PRO 452 2HG PRO 452 4.875 -27.239 -3.976 15 2HG PRO 452 1HG PRO 452 4.988 -28.144 -2.456 16 1HD PRO 452 2HD PRO 452 7.004 -28.078 -4.260 17 2HD PRO 452 1HD PRO 452 6.683 -29.498 -3.243 18 H VAL 453 H VAL 453 5.265 -27.494 -6.216 19 HA VAL 453 HA VAL 453 4.857 -26.174 -8.035 20 HB VAL 453 HB VAL 453 2.934 -28.232 -9.096 21 1HG1 VAL 453 1HG1 VAL 453 3.512 -25.794 -10.043 22 2HG1 VAL 453 2HG1 VAL 453 3.100 -27.158 -11.080 23 3HG1 VAL 453 3HG1 VAL 453 4.791 -26.721 -10.827 24 1HG2 VAL 453 1HG2 VAL 453 5.047 -29.030 -10.374 25 2HG2 VAL 453 2HG2 VAL 453 4.761 -29.610 -8.734 26 3HG2 VAL 453 3HG2 VAL 453 5.925 -28.317 -9.021 27 H ASP 454 H ASP 454 3.285 -26.131 -5.591 28 HA ASP 454 HA ASP 454 1.252 -24.324 -6.422 29 1HB ASP 454 2HB ASP 454 0.496 -27.070 -6.232 30 2HB ASP 454 1HB ASP 454 -0.268 -26.196 -4.908 31 H SER 455 H SER 455 3.523 -24.384 -4.659 32 HA SER 455 HA SER 455 2.610 -24.508 -1.952 33 1HB SER 455 2HB SER 455 5.029 -24.767 -2.889 34 2HB SER 455 1HB SER 455 5.068 -23.005 -2.808 35 HG SER 455 HG SER 455 4.307 -24.601 -0.601 36 H ASN 456 H ASN 456 3.853 -22.121 -0.944 37 HA ASN 456 HA ASN 456 1.719 -20.385 -0.809 38 1HB ASN 456 2HB ASN 456 4.592 -19.478 -0.628 39 2HB ASN 456 1HB ASN 456 3.193 -18.811 0.209 40 1HD2 ASN 456 1HD2 ASN 456 1.997 -21.169 1.058 41 2HD2 ASN 456 2HD2 ASN 456 3.011 -21.911 2.244 42 H ASP 457 H ASP 457 0.779 -19.884 -2.760 43 HA ASP 457 HA ASP 457 2.387 -18.189 -4.557 44 1HB ASP 457 2HB ASP 457 0.968 -20.580 -5.154 45 2HB ASP 457 1HB ASP 457 0.115 -19.249 -5.930 46 H LEU 458 H LEU 458 1.616 -16.213 -5.022 47 HA LEU 458 HA LEU 458 -1.163 -15.596 -4.279 48 1HB LEU 458 2HB LEU 458 1.309 -13.988 -3.651 49 2HB LEU 458 1HB LEU 458 -0.316 -13.336 -3.545 50 HG LEU 458 HG LEU 458 -0.195 -15.779 -2.054 51 1HD1 LEU 458 1HD1 LEU 458 1.404 -15.099 -0.329 52 2HD1 LEU 458 2HD1 LEU 458 1.896 -13.733 -1.329 53 3HD1 LEU 458 3HD1 LEU 458 2.194 -15.381 -1.880 54 1HD2 LEU 458 1HD2 LEU 458 -0.626 -13.991 -0.191 55 2HD2 LEU 458 2HD2 LEU 458 -1.848 -14.314 -1.420 56 3HD2 LEU 458 3HD2 LEU 458 -0.803 -12.901 -1.567 57 H GLY 459 H GLY 459 -2.278 -14.363 -5.697 58 1HA GLY 459 2HA GLY 459 -0.903 -13.688 -8.193 59 2HA GLY 459 1HA GLY 459 -2.640 -13.827 -7.977 60 HA PRO 460 HA PRO 460 -2.607 -9.391 -7.894 61 1HB PRO 460 2HB PRO 460 -5.149 -8.955 -7.101 62 2HB PRO 460 1HB PRO 460 -4.756 -9.549 -8.719 63 1HG PRO 460 2HG PRO 460 -5.687 -11.073 -6.316 64 2HG PRO 460 1HG PRO 460 -6.203 -11.226 -8.006 65 1HD PRO 460 2HD PRO 460 -4.414 -12.913 -6.838 66 2HD PRO 460 1HD PRO 460 -4.392 -12.525 -8.570 67 H LEU 461 H LEU 461 -1.151 -10.107 -5.828 68 HA LEU 461 HA LEU 461 -0.519 -9.592 -3.700 69 1HB LEU 461 2HB LEU 461 -2.644 -7.482 -3.638 70 2HB LEU 461 1HB LEU 461 -1.048 -7.454 -2.916 71 HG LEU 461 HG LEU 461 -0.892 -7.655 -5.804 72 1HD1 LEU 461 1HD1 LEU 461 -2.452 -5.367 -4.629 73 2HD1 LEU 461 2HD1 LEU 461 -2.960 -6.485 -5.895 74 3HD1 LEU 461 3HD1 LEU 461 -1.678 -5.316 -6.213 75 1HD2 LEU 461 1HD2 LEU 461 0.890 -6.961 -4.156 76 2HD2 LEU 461 2HD2 LEU 461 0.027 -5.431 -3.997 77 3HD2 LEU 461 3HD2 LEU 461 0.690 -5.911 -5.559 78 HA PRO 462 HA PRO 462 -3.094 -11.525 -0.700 79 1HB PRO 462 2HB PRO 462 -2.624 -9.358 1.249 80 2HB PRO 462 1HB PRO 462 -2.203 -11.066 1.348 81 1HG PRO 462 2HG PRO 462 -0.334 -9.184 0.969 82 2HG PRO 462 1HG PRO 462 -0.218 -10.783 0.210 83 1HD PRO 462 2HD PRO 462 -1.059 -8.172 -0.985 84 2HD PRO 462 1HD PRO 462 -0.070 -9.467 -1.690 85 HA PRO 463 HA PRO 463 -7.080 -9.650 -0.344 86 1HB PRO 463 2HB PRO 463 -7.953 -10.196 2.154 87 2HB PRO 463 1HB PRO 463 -7.758 -11.449 0.923 88 1HG PRO 463 2HG PRO 463 -5.939 -10.715 3.182 89 2HG PRO 463 1HG PRO 463 -6.406 -12.321 2.597 90 1HD PRO 463 2HD PRO 463 -4.040 -11.132 1.968 91 2HD PRO 463 1HD PRO 463 -4.858 -12.288 0.899 92 H GLY 464 H GLY 464 -7.452 -7.525 -0.360 93 1HA GLY 464 2HA GLY 464 -8.024 -5.495 0.700 94 2HA GLY 464 1HA GLY 464 -7.140 -6.015 2.123 95 H TRP 465 H TRP 465 -5.102 -6.697 -0.335 96 HA TRP 465 HA TRP 465 -3.626 -4.221 0.093 97 1HB TRP 465 2HB TRP 465 -2.885 -6.955 -0.906 98 2HB TRP 465 1HB TRP 465 -1.809 -5.582 -1.145 99 HD1 TRP 465 HD TRP 465 -3.380 -7.645 1.700 100 HE1 TRP 465 1HE TRP 465 -1.892 -7.374 3.784 101 HE3 TRP 465 3HE TRP 465 -0.143 -4.124 -0.078 102 HZ2 TRP 465 2HZ TRP 465 0.354 -5.859 4.557 103 HZ3 TRP 465 3HZ TRP 465 1.644 -3.309 1.398 104 HH2 TRP 465 HH TRP 465 1.887 -4.161 3.675 105 H GLU 466 H GLU 466 -2.337 -3.394 -1.816 106 HA GLU 466 HA GLU 466 -3.615 -3.713 -4.405 107 1HB GLU 466 2HB GLU 466 -4.453 -1.675 -2.676 108 2HB GLU 466 1HB GLU 466 -3.386 -0.882 -3.824 109 1HG GLU 466 2HG GLU 466 -5.026 -2.563 -5.348 110 2HG GLU 466 1HG GLU 466 -6.083 -1.791 -4.167 111 H GLU 467 H GLU 467 -2.288 -3.179 -6.111 112 HA GLU 467 HA GLU 467 0.476 -2.520 -5.397 113 1HB GLU 467 2HB GLU 467 1.109 -3.403 -7.543 114 2HB GLU 467 1HB GLU 467 0.020 -4.549 -6.776 115 1HG GLU 467 2HG GLU 467 -1.714 -3.020 -8.212 116 2HG GLU 467 1HG GLU 467 -0.286 -3.020 -9.246 117 H ARG 468 H ARG 468 0.782 -0.368 -5.323 118 HA ARG 468 HA ARG 468 -0.299 1.248 -7.537 119 1HB ARG 468 2HB ARG 468 0.459 2.145 -4.753 120 2HB ARG 468 1HB ARG 468 -0.183 3.176 -6.023 121 1HG ARG 468 2HG ARG 468 -1.915 0.926 -5.604 122 2HG ARG 468 1HG ARG 468 -1.611 1.765 -4.081 123 1HD ARG 468 2HD ARG 468 -3.572 2.661 -5.258 124 2HD ARG 468 1HD ARG 468 -2.300 3.868 -5.068 125 HE ARG 468 HE ARG 468 -1.822 2.812 -7.523 126 1HH1 ARG 468 1HH1 ARG 468 -4.615 4.224 -5.994 127 2HH1 ARG 468 2HH1 ARG 468 -5.282 4.825 -7.475 128 1HH2 ARG 468 1HH2 ARG 468 -2.690 3.602 -9.477 129 2HH2 ARG 468 2HH2 ARG 468 -4.187 4.471 -9.456 130 H THR 469 H THR 469 1.027 2.593 -8.675 131 HA THR 469 HA THR 469 3.841 2.006 -8.595 132 HB THR 469 HB THR 469 4.032 3.416 -10.554 133 HG1 THR 469 1HG THR 469 1.291 4.094 -10.161 134 1HG2 THR 469 1HG2 THR 469 2.462 1.132 -10.393 135 2HG2 THR 469 2HG2 THR 469 3.131 1.843 -11.862 136 3HG2 THR 469 3HG2 THR 469 1.494 2.254 -11.348 137 H HIS 470 H HIS 470 5.401 3.138 -7.628 138 HA HIS 470 HA HIS 470 4.728 5.418 -6.018 139 1HB HIS 470 2HB HIS 470 6.414 3.580 -5.440 140 2HB HIS 470 1HB HIS 470 7.510 4.388 -6.556 141 HD2 HIS 470 2HD HIS 470 8.968 6.357 -5.462 142 HE1 HIS 470 1HE HIS 470 6.664 6.828 -1.942 143 HE2 HIS 470 2HE HIS 470 8.840 7.422 -3.100 144 H THR 471 H THR 471 6.036 7.434 -6.084 145 HA THR 471 HA THR 471 5.799 8.736 -8.533 146 HB THR 471 HB THR 471 7.853 9.729 -6.617 147 HG1 THR 471 1HG THR 471 6.056 10.470 -5.273 148 1HG2 THR 471 1HG2 THR 471 5.941 11.670 -7.078 149 2HG2 THR 471 2HG2 THR 471 6.003 10.784 -8.601 150 3HG2 THR 471 3HG2 THR 471 7.472 11.498 -7.937 151 H ASP 472 H ASP 472 8.336 6.734 -7.317 152 HA ASP 472 HA ASP 472 10.285 7.691 -9.248 153 1HB ASP 472 2HB ASP 472 10.320 5.900 -6.889 154 2HB ASP 472 1HB ASP 472 11.464 5.516 -8.172 155 H GLY 473 H GLY 473 7.765 5.425 -9.192 156 1HA GLY 473 2HA GLY 473 7.187 4.375 -11.300 157 2HA GLY 473 1HA GLY 473 8.903 4.110 -11.573 158 H ARG 474 H ARG 474 9.016 3.351 -8.578 159 HA ARG 474 HA ARG 474 8.675 0.529 -9.027 160 1HB ARG 474 2HB ARG 474 9.488 2.071 -6.556 161 2HB ARG 474 1HB ARG 474 9.502 0.317 -6.688 162 1HG ARG 474 2HG ARG 474 11.450 0.307 -7.761 163 2HG ARG 474 1HG ARG 474 10.961 1.614 -8.841 164 1HD ARG 474 2HD ARG 474 12.227 3.040 -7.706 165 2HD ARG 474 1HD ARG 474 11.315 2.695 -6.237 166 HE ARG 474 HE ARG 474 13.337 0.742 -6.862 167 1HH1 ARG 474 1HH1 ARG 474 12.638 3.750 -5.255 168 2HH1 ARG 474 2HH1 ARG 474 13.951 3.605 -4.134 169 1HH2 ARG 474 1HH2 ARG 474 15.069 0.541 -5.394 170 2HH2 ARG 474 2HH2 ARG 474 15.335 1.782 -4.215 171 H VAL 475 H VAL 475 6.873 -0.589 -8.680 172 HA VAL 475 HA VAL 475 4.604 0.656 -7.422 173 HB VAL 475 HB VAL 475 4.400 -0.821 -9.407 174 1HG1 VAL 475 1HG1 VAL 475 4.819 -3.168 -7.559 175 2HG1 VAL 475 2HG1 VAL 475 6.129 -2.462 -8.499 176 3HG1 VAL 475 3HG1 VAL 475 4.734 -3.148 -9.325 177 1HG2 VAL 475 1HG2 VAL 475 2.399 -0.404 -8.268 178 2HG2 VAL 475 2HG2 VAL 475 2.853 -1.399 -6.889 179 3HG2 VAL 475 3HG2 VAL 475 2.421 -2.158 -8.424 180 H PHE 476 H PHE 476 4.440 0.761 -5.287 181 HA PHE 476 HA PHE 476 5.642 -1.293 -3.610 182 1HB PHE 476 2HB PHE 476 5.050 0.208 -1.737 183 2HB PHE 476 1HB PHE 476 6.009 1.023 -2.968 184 HD1 PHE 476 1HD PHE 476 5.009 2.706 -4.412 185 HD2 PHE 476 2HD PHE 476 2.771 0.821 -1.322 186 HE1 PHE 476 1HE PHE 476 3.295 4.463 -4.587 187 HE2 PHE 476 2HE PHE 476 1.052 2.575 -1.491 188 HZ PHE 476 HZ PHE 476 1.313 4.399 -3.125 189 H PHE 477 H PHE 477 4.149 -1.591 -1.475 190 HA PHE 477 HA PHE 477 1.582 -2.619 -2.490 191 1HB PHE 477 2HB PHE 477 3.227 -3.630 -0.162 192 2HB PHE 477 1HB PHE 477 1.717 -4.326 -0.737 193 HD1 PHE 477 1HD PHE 477 5.150 -3.490 -1.903 194 HD2 PHE 477 2HD PHE 477 1.774 -6.055 -2.261 195 HE1 PHE 477 1HE PHE 477 6.408 -4.922 -3.459 196 HE2 PHE 477 2HE PHE 477 3.026 -7.493 -3.818 197 HZ PHE 477 HZ PHE 477 5.347 -6.926 -4.418 198 H ILE 478 H ILE 478 -0.287 -2.397 -1.199 199 HA ILE 478 HA ILE 478 -0.101 -0.782 1.224 200 HB ILE 478 HB ILE 478 -0.325 0.901 -0.511 201 1HG1 ILE 478 2HG1 ILE 478 -2.745 0.404 1.204 202 2HG1 ILE 478 1HG1 ILE 478 -1.459 1.574 1.427 203 1HG2 ILE 478 1HG2 ILE 478 -1.250 -0.465 -2.269 204 2HG2 ILE 478 2HG2 ILE 478 -2.256 0.960 -2.015 205 3HG2 ILE 478 3HG2 ILE 478 -2.771 -0.605 -1.390 206 1HD1 ILE 478 1HD1 ILE 478 -3.908 1.741 -0.224 207 2HD1 ILE 478 2HD1 ILE 478 -2.460 2.542 -0.837 208 3HD1 ILE 478 3HD1 ILE 478 -3.105 2.976 0.747 209 H ASN 479 H ASN 479 -1.481 -1.536 2.719 210 HA ASN 479 HA ASN 479 -3.576 -3.380 1.845 211 1HB ASN 479 2HB ASN 479 -3.563 -4.298 4.017 212 2HB ASN 479 1HB ASN 479 -1.872 -3.987 3.648 213 1HD2 ASN 479 1HD2 ASN 479 -2.734 -4.345 6.220 214 2HD2 ASN 479 2HD2 ASN 479 -2.602 -2.858 7.088 215 H HIS 480 H HIS 480 -5.720 -3.257 2.754 216 HA HIS 480 HA HIS 480 -6.514 -0.475 3.291 217 1HB HIS 480 2HB HIS 480 -7.918 -2.752 1.922 218 2HB HIS 480 1HB HIS 480 -8.821 -1.377 2.551 219 HD2 HIS 480 2HD HIS 480 -5.528 -0.195 1.132 220 HE1 HIS 480 1HE HIS 480 -8.401 0.177 -1.952 221 HE2 HIS 480 2HE HIS 480 -5.997 0.625 -1.283 222 H ASN 481 H ASN 481 -6.148 -3.427 4.841 223 HA ASN 481 HA ASN 481 -8.426 -3.591 6.458 224 1HB ASN 481 2HB ASN 481 -5.696 -4.323 7.480 225 2HB ASN 481 1HB ASN 481 -7.238 -5.116 7.783 226 1HD2 ASN 481 1HD2 ASN 481 -4.589 -4.740 5.596 227 2HD2 ASN 481 2HD2 ASN 481 -4.976 -6.067 4.563 228 H ILE 482 H ILE 482 -5.374 -1.863 6.926 229 HA ILE 482 HA ILE 482 -6.702 -0.214 8.966 230 HB ILE 482 HB ILE 482 -4.350 -0.092 10.054 231 1HG1 ILE 482 2HG1 ILE 482 -4.176 -2.724 8.569 232 2HG1 ILE 482 1HG1 ILE 482 -3.147 -1.317 8.318 233 1HG2 ILE 482 1HG2 ILE 482 -6.608 -1.794 10.440 234 2HG2 ILE 482 2HG2 ILE 482 -5.508 -1.120 11.642 235 3HG2 ILE 482 3HG2 ILE 482 -5.143 -2.670 10.883 236 1HD1 ILE 482 1HD1 ILE 482 -2.430 -1.582 10.725 237 2HD1 ILE 482 2HD1 ILE 482 -1.892 -2.829 9.600 238 3HD1 ILE 482 3HD1 ILE 482 -3.241 -3.148 10.691 239 H LYS 483 H LYS 483 -6.081 0.136 6.088 240 HA LYS 483 HA LYS 483 -5.121 1.625 4.638 241 1HB LYS 483 2HB LYS 483 -5.600 3.454 6.997 242 2HB LYS 483 1HB LYS 483 -5.388 3.965 5.327 243 1HG LYS 483 2HG LYS 483 -7.709 4.015 5.789 244 2HG LYS 483 1HG LYS 483 -7.419 2.618 4.751 245 1HD LYS 483 2HD LYS 483 -7.885 1.118 6.410 246 2HD LYS 483 1HD LYS 483 -7.332 2.198 7.690 247 1HE LYS 483 2HE LYS 483 -9.556 3.441 6.492 248 2HE LYS 483 1HE LYS 483 -9.991 1.747 6.723 249 1HZ LYS 483 1HZ LYS 483 -8.999 2.149 9.073 250 2HZ LYS 483 2HZ LYS 483 -10.574 2.657 8.727 251 3HZ LYS 483 3HZ LYS 483 -9.307 3.777 8.732 252 H LYS 484 H LYS 484 -3.023 0.610 4.700 253 HA LYS 484 HA LYS 484 -0.972 2.462 5.591 254 1HB LYS 484 2HB LYS 484 -1.602 0.324 7.224 255 2HB LYS 484 1HB LYS 484 -0.239 -0.279 6.293 256 1HG LYS 484 2HG LYS 484 1.193 0.919 7.483 257 2HG LYS 484 1HG LYS 484 0.269 2.399 7.219 258 1HD LYS 484 2HD LYS 484 -0.506 2.340 9.304 259 2HD LYS 484 1HD LYS 484 -1.114 0.699 9.073 260 1HE LYS 484 2HE LYS 484 1.134 -0.175 9.575 261 2HE LYS 484 1HE LYS 484 1.692 1.472 9.866 262 1HZ LYS 484 1HZ LYS 484 0.277 -0.285 11.604 263 2HZ LYS 484 2HZ LYS 484 -0.538 1.187 11.438 264 3HZ LYS 484 3HZ LYS 484 1.071 1.166 11.961 265 H THR 485 H THR 485 1.222 1.750 4.810 266 HA THR 485 HA THR 485 1.153 -0.045 2.508 267 HB THR 485 HB THR 485 0.691 1.951 1.350 268 HG1 THR 485 1HG THR 485 2.924 2.466 0.455 269 1HG2 THR 485 1HG2 THR 485 2.549 3.874 1.868 270 2HG2 THR 485 2HG2 THR 485 2.314 3.176 3.470 271 3HG2 THR 485 3HG2 THR 485 0.936 3.824 2.579 272 H GLN 486 H GLN 486 3.410 -0.355 1.600 273 HA GLN 486 HA GLN 486 5.615 0.306 3.336 274 1HB GLN 486 2HB GLN 486 6.194 -2.165 3.623 275 2HB GLN 486 1HB GLN 486 4.886 -1.534 4.618 276 1HG GLN 486 2HG GLN 486 3.254 -2.629 3.401 277 2HG GLN 486 1HG GLN 486 4.297 -2.820 1.994 278 1HE2 GLN 486 1HE2 GLN 486 5.255 -4.694 1.707 279 2HE2 GLN 486 2HE2 GLN 486 5.396 -5.945 2.887 280 H TRP 487 H TRP 487 7.633 -0.095 2.396 281 HA TRP 487 HA TRP 487 7.647 -0.132 -0.453 282 1HB TRP 487 2HB TRP 487 9.594 0.290 1.704 283 2HB TRP 487 1HB TRP 487 10.271 -0.477 0.272 284 HD1 TRP 487 HD TRP 487 10.228 2.764 1.576 285 HE1 TRP 487 1HE TRP 487 10.122 4.602 -0.224 286 HE3 TRP 487 3HE TRP 487 8.632 -0.060 -2.378 287 HZ2 TRP 487 2HZ TRP 487 9.450 4.824 -2.954 288 HZ3 TRP 487 3HZ TRP 487 8.281 1.043 -4.549 289 HH2 TRP 487 HH TRP 487 8.681 3.436 -4.829 290 H GLU 488 H GLU 488 8.685 -2.424 2.046 291 HA GLU 488 HA GLU 488 9.755 -4.369 0.328 292 1HB GLU 488 2HB GLU 488 9.740 -4.088 2.977 293 2HB GLU 488 1HB GLU 488 8.411 -5.229 2.840 294 1HG GLU 488 2HG GLU 488 9.833 -6.903 2.636 295 2HG GLU 488 1HG GLU 488 10.557 -6.147 1.217 296 H ASP 489 H ASP 489 8.754 -6.692 0.354 297 HA ASP 489 HA ASP 489 6.032 -6.433 -0.720 298 1HB ASP 489 2HB ASP 489 7.942 -8.716 -1.209 299 2HB ASP 489 1HB ASP 489 6.484 -8.315 -2.112 300 HA PRO 490 HA PRO 490 4.932 -8.915 2.858 301 1HB PRO 490 2HB PRO 490 2.278 -8.618 2.700 302 2HB PRO 490 1HB PRO 490 3.329 -7.288 3.199 303 1HG PRO 490 2HG PRO 490 2.014 -7.779 0.566 304 2HG PRO 490 1HG PRO 490 2.270 -6.253 1.424 305 1HD PRO 490 2HD PRO 490 3.838 -7.201 -0.662 306 2HD PRO 490 1HD PRO 490 4.331 -5.965 0.511 307 H ARG 491 H ARG 491 3.316 -9.324 -0.277 308 HA ARG 491 HA ARG 491 2.380 -11.956 0.345 309 1HB ARG 491 2HB ARG 491 2.057 -12.002 -2.251 310 2HB ARG 491 1HB ARG 491 1.034 -10.988 -1.250 311 1HG ARG 491 2HG ARG 491 1.806 -9.093 -2.155 312 2HG ARG 491 1HG ARG 491 3.465 -9.671 -2.206 313 1HD ARG 491 2HD ARG 491 1.257 -10.141 -4.180 314 2HD ARG 491 1HD ARG 491 2.827 -9.392 -4.454 315 HE ARG 491 HE ARG 491 3.543 -11.856 -3.750 316 1HH1 ARG 491 1HH1 ARG 491 1.133 -10.733 -6.007 317 2HH1 ARG 491 2HH1 ARG 491 1.228 -12.144 -7.003 318 1HH2 ARG 491 1HH2 ARG 491 3.665 -13.714 -5.058 319 2HH2 ARG 491 2HH2 ARG 491 2.668 -13.836 -6.469 320 H MET 492 H MET 492 5.289 -10.643 -1.014 321 HA MET 492 HA MET 492 6.165 -13.183 -2.096 322 1HB MET 492 2HB MET 492 6.824 -11.159 -3.259 323 2HB MET 492 1HB MET 492 7.585 -10.532 -1.803 324 1HG MET 492 2HG MET 492 9.475 -11.376 -2.590 325 2HG MET 492 1HG MET 492 8.826 -12.957 -2.157 326 1HE MET 492 1HE MET 492 11.036 -12.120 -4.626 327 2HE MET 492 2HE MET 492 10.081 -10.648 -4.796 328 3HE MET 492 3HE MET 492 10.222 -11.769 -6.150 329 H GLN 493 H GLN 493 6.585 -11.298 0.803 330 HA GLN 493 HA GLN 493 8.842 -12.769 1.777 331 1HB GLN 493 2HB GLN 493 7.136 -10.569 2.719 332 2HB GLN 493 1HB GLN 493 7.732 -11.617 3.998 333 1HG GLN 493 2HG GLN 493 9.351 -10.053 2.006 334 2HG GLN 493 1HG GLN 493 9.257 -9.811 3.750 335 1HE2 GLN 493 1HE2 GLN 493 10.934 -11.275 1.243 336 2HE2 GLN 493 2HE2 GLN 493 11.944 -12.317 2.181 337 H ASN 494 H ASN 494 8.387 -14.936 1.851 338 HA ASN 494 HA ASN 494 6.883 -15.857 4.105 339 1HB ASN 494 2HB ASN 494 5.406 -17.375 2.707 340 2HB ASN 494 1HB ASN 494 4.978 -15.668 2.695 341 1HD2 ASN 494 1HD2 ASN 494 5.649 -14.400 0.857 342 2HD2 ASN 494 2HD2 ASN 494 5.803 -15.156 -0.688 343 H VAL 495 H VAL 495 7.697 -17.740 4.835 344 HA VAL 495 HA VAL 495 9.269 -19.387 5.065 345 HB VAL 495 HB VAL 495 7.459 -20.516 3.789 346 1HG1 VAL 495 1HG1 VAL 495 7.426 -19.417 1.711 347 2HG1 VAL 495 2HG1 VAL 495 8.023 -21.039 1.365 348 3HG1 VAL 495 3HG1 VAL 495 9.148 -19.685 1.448 349 1HG2 VAL 495 1HG2 VAL 495 9.935 -21.751 2.745 350 2HG2 VAL 495 2HG2 VAL 495 8.624 -22.458 3.688 351 3HG2 VAL 495 3HG2 VAL 495 9.855 -21.479 4.486 352 H ALA 496 H ALA 496 10.351 -16.948 4.049 353 HA ALA 496 HA ALA 496 12.877 -17.892 3.152 354 1HB ALA 496 1HB ALA 496 12.970 -17.058 0.952 355 2HB ALA 496 2HB ALA 496 11.440 -16.195 1.129 356 3HB ALA 496 3HB ALA 496 11.456 -17.957 1.047 357 H ILE 497 H ILE 497 14.366 -16.536 3.921 358 HA ILE 497 HA ILE 497 15.304 -14.722 4.932 359 HB ILE 497 HB ILE 497 13.518 -13.066 3.154 360 1HG1 ILE 497 2HG1 ILE 497 16.031 -13.354 1.940 361 2HG1 ILE 497 1HG1 ILE 497 15.567 -14.981 2.433 362 1HG2 ILE 497 1HG2 ILE 497 15.901 -11.814 3.215 363 2HG2 ILE 497 2HG2 ILE 497 15.903 -12.568 4.809 364 3HG2 ILE 497 3HG2 ILE 497 14.590 -11.483 4.347 365 1HD1 ILE 497 1HD1 ILE 497 14.875 -14.399 0.130 366 2HD1 ILE 497 2HD1 ILE 497 13.842 -13.134 0.795 367 3HD1 ILE 497 3HD1 ILE 497 13.520 -14.826 1.178 368 H THR 498 H THR 498 12.678 -15.799 5.935 369 HA THR 498 HA THR 498 11.520 -13.424 7.191 370 HB THR 498 HB THR 498 9.791 -14.996 8.051 371 HG1 THR 498 1HG THR 498 9.820 -17.124 7.014 372 1HG2 THR 498 1HG2 THR 498 10.221 -15.116 5.065 373 2HG2 THR 498 2HG2 THR 498 9.451 -13.792 5.940 374 3HG2 THR 498 3HG2 THR 498 8.694 -15.384 5.904 375 H GLY 499 H GLY 499 11.462 -13.106 9.404 376 1HA GLY 499 2HA GLY 499 11.841 -14.484 11.574 377 2HA GLY 499 1HA GLY 499 13.458 -14.651 10.907 378 1H GLY 605 1HT GLY 605 6.568 19.703 -1.441 379 2H GLY 605 2HT GLY 605 7.982 20.194 -0.654 380 3H GLY 605 3HT GLY 605 6.769 19.392 0.210 381 1HA GLY 605 1HA GLY 605 8.741 17.994 -0.376 382 2HA GLY 605 2HA GLY 605 7.176 17.353 -0.853 383 H SER 606 H SER 606 10.262 17.854 -1.874 384 HA SER 606 HA SER 606 9.491 17.419 -4.650 385 1HB SER 606 2HB SER 606 10.825 19.854 -3.638 386 2HB SER 606 1HB SER 606 11.553 19.131 -5.073 387 HG SER 606 HG SER 606 9.894 20.662 -5.562 388 H THR 607 H THR 607 12.215 17.813 -2.399 389 HA THR 607 HA THR 607 13.697 15.769 -3.896 390 HB THR 607 HB THR 607 14.708 17.595 -1.708 391 HG1 THR 607 1HG THR 607 14.197 18.804 -3.551 392 1HG2 THR 607 1HG2 THR 607 16.592 16.436 -3.630 393 2HG2 THR 607 2HG2 THR 607 15.801 15.249 -2.593 394 3HG2 THR 607 3HG2 THR 607 16.708 16.580 -1.876 395 H LEU 608 H LEU 608 12.379 16.519 -0.727 396 HA LEU 608 HA LEU 608 13.126 13.818 0.180 397 1HB LEU 608 2HB LEU 608 13.931 15.957 1.419 398 2HB LEU 608 1HB LEU 608 12.286 16.027 2.024 399 HG LEU 608 HG LEU 608 12.671 13.617 2.827 400 1HD1 LEU 608 1HD1 LEU 608 14.933 13.715 1.417 401 2HD1 LEU 608 2HD1 LEU 608 14.746 12.711 2.854 402 3HD1 LEU 608 3HD1 LEU 608 15.550 14.276 2.971 403 1HD2 LEU 608 1HD2 LEU 608 12.476 15.480 4.350 404 2HD2 LEU 608 2HD2 LEU 608 14.156 15.933 4.060 405 3HD2 LEU 608 3HD2 LEU 608 13.779 14.418 4.882 406 HA PRO 609 HA PRO 609 8.504 13.867 -0.292 407 1HB PRO 609 2HB PRO 609 8.309 11.477 -1.545 408 2HB PRO 609 1HB PRO 609 8.631 12.983 -2.413 409 1HG PRO 609 2HG PRO 609 10.542 10.846 -1.553 410 2HG PRO 609 1HG PRO 609 10.469 11.731 -3.088 411 1HD PRO 609 2HD PRO 609 12.222 12.348 -1.103 412 2HD PRO 609 1HD PRO 609 11.577 13.554 -2.234 413 H ILE 610 H ILE 610 10.649 11.159 0.553 414 HA ILE 610 HA ILE 610 9.138 10.711 2.989 415 HB ILE 610 HB ILE 610 9.182 8.151 2.403 416 1HG1 ILE 610 2HG1 ILE 610 8.850 9.340 -0.354 417 2HG1 ILE 610 1HG1 ILE 610 10.324 8.562 0.210 418 1HG2 ILE 610 1HG2 ILE 610 7.116 9.142 2.942 419 2HG2 ILE 610 2HG2 ILE 610 6.870 8.378 1.373 420 3HG2 ILE 610 3HG2 ILE 610 7.106 10.122 1.474 421 1HD1 ILE 610 1HD1 ILE 610 8.903 7.094 -1.164 422 2HD1 ILE 610 2HD1 ILE 610 7.635 7.224 0.054 423 3HD1 ILE 610 3HD1 ILE 610 9.175 6.467 0.463 424 HA PRO 611 HA PRO 611 13.611 10.228 3.752 425 1HB PRO 611 2HB PRO 611 12.688 10.506 6.544 426 2HB PRO 611 1HB PRO 611 13.915 11.426 5.669 427 1HG PRO 611 2HG PRO 611 11.541 12.502 6.284 428 2HG PRO 611 1HG PRO 611 12.367 12.884 4.761 429 1HD PRO 611 2HD PRO 611 10.075 11.023 5.261 430 2HD PRO 611 1HD PRO 611 10.338 12.152 3.914 431 H GLY 612 H GLY 612 11.122 8.857 5.916 432 1HA GLY 612 2HA GLY 612 12.484 6.257 5.680 433 2HA GLY 612 1HA GLY 612 12.087 6.891 7.269 434 H THR 613 H THR 613 9.519 7.997 6.507 435 HA THR 613 HA THR 613 7.865 5.829 7.045 436 HB THR 613 HB THR 613 5.996 7.328 6.175 437 HG1 THR 613 1HG THR 613 7.674 8.509 4.814 438 1HG2 THR 613 1HG2 THR 613 5.967 8.552 8.141 439 2HG2 THR 613 2HG2 THR 613 7.709 8.823 8.120 440 3HG2 THR 613 3HG2 THR 613 7.067 7.238 8.554 441 HA PRO 614 HA PRO 614 7.300 3.577 3.306 442 1HB PRO 614 2HB PRO 614 4.558 3.180 3.405 443 2HB PRO 614 1HB PRO 614 5.759 2.187 4.234 444 1HG PRO 614 2HG PRO 614 4.089 4.425 5.293 445 2HG PRO 614 1HG PRO 614 4.545 2.898 6.071 446 1HD PRO 614 2HD PRO 614 5.761 5.197 6.705 447 2HD PRO 614 1HD PRO 614 6.663 3.669 6.627 448 HA PRO 615 HA PRO 615 5.859 5.886 -0.161 449 1HB PRO 615 2HB PRO 615 3.611 3.989 -0.626 450 2HB PRO 615 1HB PRO 615 4.875 4.531 -1.736 451 1HG PRO 615 2HG PRO 615 4.966 2.097 -0.661 452 2HG PRO 615 1HG PRO 615 6.444 3.051 -0.885 453 1HD PRO 615 2HD PRO 615 4.893 2.507 1.608 454 2HD PRO 615 1HD PRO 615 6.647 2.655 1.378 455 HA PRO 616 HA PRO 616 2.385 8.578 0.356 456 1HB PRO 616 2HB PRO 616 0.800 7.201 -1.766 457 2HB PRO 616 1HB PRO 616 1.161 8.920 -1.568 458 1HG PRO 616 2HG PRO 616 2.444 7.468 -3.390 459 2HG PRO 616 1HG PRO 616 3.296 8.708 -2.451 460 1HD PRO 616 2HD PRO 616 3.371 5.740 -2.184 461 2HD PRO 616 1HD PRO 616 4.659 6.931 -1.919 462 H ASN 617 H ASN 617 0.995 8.527 1.994 463 HA ASN 617 HA ASN 617 -0.068 6.176 3.083 464 1HB ASN 617 2HB ASN 617 0.292 8.350 4.297 465 2HB ASN 617 1HB ASN 617 -1.151 8.967 3.497 466 1HD2 ASN 617 1HD2 ASN 617 -0.374 5.841 4.978 467 2HD2 ASN 617 2HD2 ASN 617 -1.704 5.840 6.081 468 H TYR 618 H TYR 618 -2.237 5.434 3.224 469 HA TYR 618 HA TYR 618 -3.605 5.343 0.775 470 1HB TYR 618 2HB TYR 618 -3.782 3.577 2.476 471 2HB TYR 618 1HB TYR 618 -4.632 4.687 3.546 472 HD1 TYR 618 1HD TYR 618 -6.896 4.326 3.686 473 HD2 TYR 618 2HD TYR 618 -4.942 3.584 -0.019 474 HE1 TYR 618 1HE TYR 618 -9.041 3.642 2.698 475 HE2 TYR 618 2HE TYR 618 -7.082 2.898 -1.018 476 HH TYR 618 HH TYR 618 -10.058 3.510 0.413 477 H ASP 619 H ASP 619 -4.097 7.300 3.668 478 HA ASP 619 HA ASP 619 -6.568 8.435 2.905 479 1HB ASP 619 2HB ASP 619 -5.508 8.461 5.217 480 2HB ASP 619 1HB ASP 619 -4.489 9.774 4.637 481 H SER 620 H SER 620 -3.275 9.143 2.052 482 HA SER 620 HA SER 620 -3.922 11.720 0.899 483 1HB SER 620 2HB SER 620 -1.534 10.368 1.719 484 2HB SER 620 1HB SER 620 -1.365 10.842 0.029 485 HG SER 620 HG SER 620 -0.711 12.566 1.250 486 H LEU 621 H LEU 621 -3.651 8.420 -0.105 487 HA LEU 621 HA LEU 621 -3.332 8.937 -2.896 488 1HB LEU 621 2HB LEU 621 -3.907 6.556 -1.208 489 2HB LEU 621 1HB LEU 621 -4.295 6.462 -2.916 490 HG LEU 621 HG LEU 621 -1.572 7.031 -1.741 491 1HD1 LEU 621 1HD1 LEU 621 -1.001 4.857 -2.779 492 2HD1 LEU 621 2HD1 LEU 621 -2.708 4.624 -3.152 493 3HD1 LEU 621 3HD1 LEU 621 -2.178 4.722 -1.473 494 1HD2 LEU 621 1HD2 LEU 621 -0.936 6.644 -4.215 495 2HD2 LEU 621 2HD2 LEU 621 -1.564 8.220 -3.733 496 3HD2 LEU 621 3HD2 LEU 621 -2.617 7.062 -4.547 Start of MODEL 15 1 1H GLY 450 1HT GLY 450 2.761 -32.251 -17.466 2 2H GLY 450 2HT GLY 450 3.422 -33.521 -16.564 3 3H GLY 450 3HT GLY 450 4.079 -31.966 -16.442 4 1HA GLY 450 1HA GLY 450 1.430 -32.885 -15.480 5 2HA GLY 450 2HA GLY 450 2.782 -32.336 -14.501 6 H SER 451 H SER 451 -0.144 -31.431 -15.266 7 HA SER 451 HA SER 451 -0.005 -28.885 -16.392 8 1HB SER 451 2HB SER 451 -2.153 -29.886 -16.159 9 2HB SER 451 1HB SER 451 -1.944 -30.096 -14.420 10 HG SER 451 HG SER 451 -2.629 -28.136 -14.125 11 HA PRO 452 HA PRO 452 1.920 -26.275 -13.406 12 1HB PRO 452 2HB PRO 452 -0.191 -24.269 -13.930 13 2HB PRO 452 1HB PRO 452 1.558 -24.143 -14.143 14 1HG PRO 452 2HG PRO 452 -0.081 -24.351 -16.246 15 2HG PRO 452 1HG PRO 452 1.510 -25.135 -16.231 16 1HD PRO 452 2HD PRO 452 -1.199 -26.330 -15.796 17 2HD PRO 452 1HD PRO 452 0.192 -26.983 -16.686 18 H VAL 453 H VAL 453 1.633 -26.993 -11.364 19 HA VAL 453 HA VAL 453 -0.448 -25.812 -9.774 20 HB VAL 453 HB VAL 453 -1.026 -28.191 -8.832 21 1HG1 VAL 453 1HG1 VAL 453 -2.561 -26.526 -9.915 22 2HG1 VAL 453 2HG1 VAL 453 -3.022 -28.215 -10.123 23 3HG1 VAL 453 3HG1 VAL 453 -2.252 -27.343 -11.447 24 1HG2 VAL 453 1HG2 VAL 453 -0.555 -30.000 -10.063 25 2HG2 VAL 453 2HG2 VAL 453 0.637 -28.976 -10.863 26 3HG2 VAL 453 3HG2 VAL 453 -0.962 -29.190 -11.575 27 H ASP 454 H ASP 454 2.495 -25.963 -9.949 28 HA ASP 454 HA ASP 454 2.982 -26.580 -7.141 29 1HB ASP 454 2HB ASP 454 3.825 -28.302 -9.224 30 2HB ASP 454 1HB ASP 454 5.263 -27.469 -8.642 31 H SER 455 H SER 455 3.107 -24.316 -6.897 32 HA SER 455 HA SER 455 5.723 -23.246 -7.269 33 1HB SER 455 2HB SER 455 4.000 -22.873 -9.434 34 2HB SER 455 1HB SER 455 3.939 -21.344 -8.557 35 HG SER 455 HG SER 455 5.744 -21.960 -10.226 36 H ASN 456 H ASN 456 4.957 -20.476 -7.129 37 HA ASN 456 HA ASN 456 3.321 -20.332 -4.708 38 1HB ASN 456 2HB ASN 456 5.054 -18.782 -3.703 39 2HB ASN 456 1HB ASN 456 5.508 -20.482 -3.775 40 1HD2 ASN 456 1HD2 ASN 456 7.284 -18.282 -3.547 41 2HD2 ASN 456 2HD2 ASN 456 8.285 -18.270 -4.954 42 H ASP 457 H ASP 457 1.951 -19.483 -6.545 43 HA ASP 457 HA ASP 457 2.509 -16.619 -6.966 44 1HB ASP 457 2HB ASP 457 1.144 -16.806 -9.036 45 2HB ASP 457 1HB ASP 457 2.597 -17.800 -9.078 46 H LEU 458 H LEU 458 1.375 -15.719 -5.315 47 HA LEU 458 HA LEU 458 -1.173 -16.619 -4.449 48 1HB LEU 458 2HB LEU 458 0.668 -14.436 -3.814 49 2HB LEU 458 1HB LEU 458 -1.020 -13.994 -3.643 50 HG LEU 458 HG LEU 458 0.275 -16.360 -2.290 51 1HD1 LEU 458 1HD1 LEU 458 -0.245 -14.837 -0.246 52 2HD1 LEU 458 2HD1 LEU 458 -0.169 -13.536 -1.436 53 3HD1 LEU 458 3HD1 LEU 458 1.229 -14.582 -1.181 54 1HD2 LEU 458 1HD2 LEU 458 -1.860 -17.015 -2.123 55 2HD2 LEU 458 2HD2 LEU 458 -2.483 -15.430 -2.579 56 3HD2 LEU 458 3HD2 LEU 458 -1.995 -15.740 -0.913 57 H GLY 459 H GLY 459 -0.103 -14.150 -6.716 58 1HA GLY 459 2HA GLY 459 -1.565 -13.732 -8.635 59 2HA GLY 459 1HA GLY 459 -2.923 -13.802 -7.523 60 HA PRO 460 HA PRO 460 -2.155 -9.322 -8.138 61 1HB PRO 460 2HB PRO 460 -4.969 -9.170 -7.278 62 2HB PRO 460 1HB PRO 460 -4.206 -8.535 -8.738 63 1HG PRO 460 2HG PRO 460 -5.865 -10.642 -8.823 64 2HG PRO 460 1HG PRO 460 -4.455 -10.521 -9.893 65 1HD PRO 460 2HD PRO 460 -4.797 -12.117 -7.378 66 2HD PRO 460 1HD PRO 460 -4.023 -12.579 -8.909 67 H LEU 461 H LEU 461 -0.964 -10.169 -5.997 68 HA LEU 461 HA LEU 461 -0.423 -9.719 -3.836 69 1HB LEU 461 2HB LEU 461 -2.398 -7.455 -4.122 70 2HB LEU 461 1HB LEU 461 -1.150 -7.595 -2.898 71 HG LEU 461 HG LEU 461 -0.681 -7.251 -5.861 72 1HD1 LEU 461 1HD1 LEU 461 -1.384 -5.171 -5.110 73 2HD1 LEU 461 2HD1 LEU 461 0.370 -5.079 -4.948 74 3HD1 LEU 461 3HD1 LEU 461 -0.633 -5.376 -3.528 75 1HD2 LEU 461 1HD2 LEU 461 1.039 -8.139 -3.699 76 2HD2 LEU 461 2HD2 LEU 461 1.659 -6.696 -4.501 77 3HD2 LEU 461 3HD2 LEU 461 1.314 -8.148 -5.440 78 HA PRO 462 HA PRO 462 -3.268 -11.628 -1.089 79 1HB PRO 462 2HB PRO 462 -2.740 -9.620 1.008 80 2HB PRO 462 1HB PRO 462 -2.447 -11.359 1.018 81 1HG PRO 462 2HG PRO 462 -0.428 -9.611 0.833 82 2HG PRO 462 1HG PRO 462 -0.398 -11.152 -0.045 83 1HD PRO 462 2HD PRO 462 -1.038 -8.404 -1.057 84 2HD PRO 462 1HD PRO 462 -0.078 -9.689 -1.821 85 HA PRO 463 HA PRO 463 -7.216 -9.695 -0.848 86 1HB PRO 463 2HB PRO 463 -7.490 -10.381 2.014 87 2HB PRO 463 1HB PRO 463 -8.467 -10.892 0.636 88 1HG PRO 463 2HG PRO 463 -6.796 -12.586 1.852 89 2HG PRO 463 1HG PRO 463 -7.044 -12.629 0.096 90 1HD PRO 463 2HD PRO 463 -4.772 -11.466 1.662 91 2HD PRO 463 1HD PRO 463 -4.739 -12.392 0.145 92 H GLY 464 H GLY 464 -7.858 -7.639 -0.629 93 1HA GLY 464 2HA GLY 464 -8.221 -5.576 0.366 94 2HA GLY 464 1HA GLY 464 -7.390 -6.157 1.801 95 H TRP 465 H TRP 465 -5.286 -6.875 -0.567 96 HA TRP 465 HA TRP 465 -3.754 -4.452 -0.067 97 1HB TRP 465 2HB TRP 465 -3.098 -7.196 -1.078 98 2HB TRP 465 1HB TRP 465 -1.988 -5.864 -1.382 99 HD1 TRP 465 HD TRP 465 -3.461 -7.899 1.524 100 HE1 TRP 465 1HE TRP 465 -1.911 -7.612 3.557 101 HE3 TRP 465 3HE TRP 465 -0.326 -4.329 -0.352 102 HZ2 TRP 465 2HZ TRP 465 0.339 -6.071 4.263 103 HZ3 TRP 465 3HZ TRP 465 1.500 -3.495 1.073 104 HH2 TRP 465 HH TRP 465 1.821 -4.352 3.338 105 H GLU 466 H GLU 466 -2.478 -3.529 -1.890 106 HA GLU 466 HA GLU 466 -3.665 -3.802 -4.527 107 1HB GLU 466 2HB GLU 466 -4.317 -1.637 -2.703 108 2HB GLU 466 1HB GLU 466 -3.605 -1.037 -4.193 109 1HG GLU 466 2HG GLU 466 -5.763 -3.064 -4.392 110 2HG GLU 466 1HG GLU 466 -6.197 -1.416 -3.942 111 H GLU 467 H GLU 467 -2.299 -3.228 -6.169 112 HA GLU 467 HA GLU 467 0.426 -2.522 -5.369 113 1HB GLU 467 2HB GLU 467 1.079 -3.259 -7.606 114 2HB GLU 467 1HB GLU 467 0.138 -4.503 -6.797 115 1HG GLU 467 2HG GLU 467 -1.870 -3.517 -8.050 116 2HG GLU 467 1HG GLU 467 -0.666 -2.712 -9.055 117 H ARG 468 H ARG 468 0.596 -0.350 -5.178 118 HA ARG 468 HA ARG 468 -0.498 1.314 -7.343 119 1HB ARG 468 2HB ARG 468 0.168 1.913 -4.471 120 2HB ARG 468 1HB ARG 468 -0.051 3.198 -5.650 121 1HG ARG 468 2HG ARG 468 -2.225 1.301 -5.749 122 2HG ARG 468 1HG ARG 468 -2.015 1.967 -4.128 123 1HD ARG 468 2HD ARG 468 -3.521 3.401 -5.271 124 2HD ARG 468 1HD ARG 468 -1.977 4.247 -5.181 125 HE ARG 468 HE ARG 468 -2.169 2.807 -7.607 126 1HH1 ARG 468 1HH1 ARG 468 -3.398 5.644 -6.004 127 2HH1 ARG 468 2HH1 ARG 468 -3.683 6.512 -7.476 128 1HH2 ARG 468 1HH2 ARG 468 -2.536 3.943 -9.552 129 2HH2 ARG 468 2HH2 ARG 468 -3.193 5.545 -9.493 130 H THR 469 H THR 469 0.785 2.697 -8.487 131 HA THR 469 HA THR 469 3.604 2.102 -8.508 132 HB THR 469 HB THR 469 2.340 2.422 -10.611 133 HG1 THR 469 1HG THR 469 4.527 4.126 -10.010 134 1HG2 THR 469 1HG2 THR 469 1.262 4.621 -9.349 135 2HG2 THR 469 2HG2 THR 469 1.122 4.248 -11.067 136 3HG2 THR 469 3HG2 THR 469 2.388 5.337 -10.502 137 H HIS 470 H HIS 470 5.199 3.249 -7.623 138 HA HIS 470 HA HIS 470 4.580 5.534 -5.990 139 1HB HIS 470 2HB HIS 470 6.277 3.690 -5.462 140 2HB HIS 470 1HB HIS 470 7.341 4.492 -6.612 141 HD2 HIS 470 2HD HIS 470 8.888 6.384 -5.521 142 HE1 HIS 470 1HE HIS 470 6.619 6.971 -1.997 143 HE2 HIS 470 2HE HIS 470 8.644 7.733 -3.319 144 H THR 471 H THR 471 5.754 7.578 -6.135 145 HA THR 471 HA THR 471 5.504 8.808 -8.619 146 HB THR 471 HB THR 471 7.507 10.004 -6.805 147 HG1 THR 471 1HG THR 471 5.615 10.589 -5.394 148 1HG2 THR 471 1HG2 THR 471 5.193 11.596 -7.186 149 2HG2 THR 471 2HG2 THR 471 5.572 10.830 -8.729 150 3HG2 THR 471 3HG2 THR 471 6.791 11.803 -7.905 151 H ASP 472 H ASP 472 8.087 6.909 -7.356 152 HA ASP 472 HA ASP 472 10.032 7.936 -9.257 153 1HB ASP 472 2HB ASP 472 10.130 5.933 -7.021 154 2HB ASP 472 1HB ASP 472 11.424 6.005 -8.213 155 H GLY 473 H GLY 473 7.589 5.588 -9.237 156 1HA GLY 473 2HA GLY 473 7.080 4.511 -11.348 157 2HA GLY 473 1HA GLY 473 8.808 4.301 -11.593 158 H ARG 474 H ARG 474 8.900 3.561 -8.593 159 HA ARG 474 HA ARG 474 8.657 0.727 -9.031 160 1HB ARG 474 2HB ARG 474 9.775 2.495 -6.944 161 2HB ARG 474 1HB ARG 474 9.169 0.946 -6.375 162 1HG ARG 474 2HG ARG 474 10.587 -0.054 -8.284 163 2HG ARG 474 1HG ARG 474 11.404 1.511 -8.276 164 1HD ARG 474 2HD ARG 474 12.081 1.239 -6.013 165 2HD ARG 474 1HD ARG 474 11.041 -0.169 -5.806 166 HE ARG 474 HE ARG 474 12.766 -0.854 -7.819 167 1HH1 ARG 474 1HH1 ARG 474 13.093 0.212 -4.519 168 2HH1 ARG 474 2HH1 ARG 474 14.568 -0.655 -4.248 169 1HH2 ARG 474 1HH2 ARG 474 14.706 -2.001 -7.473 170 2HH2 ARG 474 2HH2 ARG 474 15.485 -1.913 -5.928 171 H VAL 475 H VAL 475 6.883 -0.449 -8.686 172 HA VAL 475 HA VAL 475 4.575 0.746 -7.450 173 HB VAL 475 HB VAL 475 4.176 -0.617 -9.362 174 1HG1 VAL 475 1HG1 VAL 475 4.681 -3.112 -9.288 175 2HG1 VAL 475 2HG1 VAL 475 5.714 -2.761 -7.901 176 3HG1 VAL 475 3HG1 VAL 475 6.055 -2.028 -9.463 177 1HG2 VAL 475 1HG2 VAL 475 3.194 -2.297 -7.049 178 2HG2 VAL 475 2HG2 VAL 475 2.383 -1.940 -8.579 179 3HG2 VAL 475 3HG2 VAL 475 2.583 -0.676 -7.372 180 H PHE 476 H PHE 476 4.383 0.853 -5.323 181 HA PHE 476 HA PHE 476 5.646 -1.139 -3.619 182 1HB PHE 476 2HB PHE 476 5.055 0.353 -1.769 183 2HB PHE 476 1HB PHE 476 5.895 1.232 -3.040 184 HD1 PHE 476 1HD PHE 476 2.801 0.842 -1.200 185 HD2 PHE 476 2HD PHE 476 4.666 2.785 -4.495 186 HE1 PHE 476 1HE PHE 476 0.950 2.460 -1.288 187 HE2 PHE 476 2HE PHE 476 2.819 4.407 -4.591 188 HZ PHE 476 HZ PHE 476 0.957 4.247 -2.984 189 H PHE 477 H PHE 477 4.215 -1.596 -1.528 190 HA PHE 477 HA PHE 477 1.652 -2.649 -2.528 191 1HB PHE 477 2HB PHE 477 3.287 -3.692 -0.211 192 2HB PHE 477 1HB PHE 477 1.855 -4.438 -0.910 193 HD1 PHE 477 1HD PHE 477 2.108 -6.088 -2.502 194 HD2 PHE 477 2HD PHE 477 5.290 -3.342 -1.835 195 HE1 PHE 477 1HE PHE 477 3.533 -7.372 -4.043 196 HE2 PHE 477 2HE PHE 477 6.722 -4.621 -3.376 197 HZ PHE 477 HZ PHE 477 5.843 -6.638 -4.481 198 H ILE 478 H ILE 478 -0.190 -2.557 -1.198 199 HA ILE 478 HA ILE 478 -0.040 -1.042 1.287 200 HB ILE 478 HB ILE 478 -0.381 0.657 -0.505 201 1HG1 ILE 478 2HG1 ILE 478 -2.652 0.194 1.429 202 2HG1 ILE 478 1HG1 ILE 478 -1.246 1.224 1.655 203 1HG2 ILE 478 1HG2 ILE 478 -1.551 -0.656 -2.129 204 2HG2 ILE 478 2HG2 ILE 478 -2.545 0.728 -1.680 205 3HG2 ILE 478 3HG2 ILE 478 -2.909 -0.868 -1.025 206 1HD1 ILE 478 1HD1 ILE 478 -3.530 1.698 -0.255 207 2HD1 ILE 478 2HD1 ILE 478 -2.089 2.710 -0.137 208 3HD1 ILE 478 3HD1 ILE 478 -3.191 2.582 1.234 209 H ASN 479 H ASN 479 -1.594 -1.648 2.740 210 HA ASN 479 HA ASN 479 -3.421 -3.757 1.857 211 1HB ASN 479 2HB ASN 479 -3.504 -4.510 4.093 212 2HB ASN 479 1HB ASN 479 -1.822 -4.067 3.826 213 1HD2 ASN 479 1HD2 ASN 479 -3.256 -4.297 6.313 214 2HD2 ASN 479 2HD2 ASN 479 -3.186 -2.751 7.077 215 H HIS 480 H HIS 480 -5.614 -3.800 2.901 216 HA HIS 480 HA HIS 480 -6.701 -1.065 3.075 217 1HB HIS 480 2HB HIS 480 -7.800 -3.543 1.776 218 2HB HIS 480 1HB HIS 480 -8.872 -2.243 2.286 219 HD2 HIS 480 2HD HIS 480 -5.424 -1.558 0.557 220 HE1 HIS 480 1HE HIS 480 -8.568 -0.336 -1.996 221 HE2 HIS 480 2HE HIS 480 -6.054 -0.528 -1.737 222 H ASN 481 H ASN 481 -5.753 -3.035 5.187 223 HA ASN 481 HA ASN 481 -8.243 -3.537 6.628 224 1HB ASN 481 2HB ASN 481 -5.874 -4.212 8.144 225 2HB ASN 481 1HB ASN 481 -7.185 -5.249 7.610 226 1HD2 ASN 481 1HD2 ASN 481 -6.907 -5.162 4.890 227 2HD2 ASN 481 2HD2 ASN 481 -5.398 -5.871 4.431 228 H ILE 482 H ILE 482 -5.127 -1.922 7.153 229 HA ILE 482 HA ILE 482 -6.489 -0.066 8.986 230 HB ILE 482 HB ILE 482 -4.185 0.056 10.161 231 1HG1 ILE 482 2HG1 ILE 482 -4.021 -2.702 8.924 232 2HG1 ILE 482 1HG1 ILE 482 -3.004 -1.333 8.487 233 1HG2 ILE 482 1HG2 ILE 482 -6.286 -2.035 10.439 234 2HG2 ILE 482 2HG2 ILE 482 -5.873 -0.699 11.514 235 3HG2 ILE 482 3HG2 ILE 482 -4.848 -2.132 11.455 236 1HD1 ILE 482 1HD1 ILE 482 -1.802 -2.808 9.950 237 2HD1 ILE 482 2HD1 ILE 482 -3.093 -2.727 11.149 238 3HD1 ILE 482 3HD1 ILE 482 -2.132 -1.292 10.790 239 H LYS 483 H LYS 483 -5.696 0.021 6.103 240 HA LYS 483 HA LYS 483 -4.625 1.367 4.597 241 1HB LYS 483 2HB LYS 483 -5.288 3.361 6.770 242 2HB LYS 483 1HB LYS 483 -4.869 3.778 5.114 243 1HG LYS 483 2HG LYS 483 -7.243 3.883 5.353 244 2HG LYS 483 1HG LYS 483 -6.845 2.492 4.343 245 1HD LYS 483 2HD LYS 483 -7.623 1.008 5.860 246 2HD LYS 483 1HD LYS 483 -7.026 1.945 7.231 247 1HE LYS 483 2HE LYS 483 -9.145 2.518 7.611 248 2HE LYS 483 1HE LYS 483 -9.033 3.527 6.169 249 1HZ LYS 483 1HZ LYS 483 -9.874 1.713 4.849 250 2HZ LYS 483 2HZ LYS 483 -10.946 2.024 6.120 251 3HZ LYS 483 3HZ LYS 483 -9.910 0.689 6.196 252 H LYS 484 H LYS 484 -2.544 0.335 4.900 253 HA LYS 484 HA LYS 484 -0.535 2.262 5.722 254 1HB LYS 484 2HB LYS 484 -1.286 0.302 7.525 255 2HB LYS 484 1HB LYS 484 0.142 -0.380 6.758 256 1HG LYS 484 2HG LYS 484 1.436 1.576 7.353 257 2HG LYS 484 1HG LYS 484 0.004 2.338 8.048 258 1HD LYS 484 2HD LYS 484 -0.029 0.916 9.870 259 2HD LYS 484 1HD LYS 484 0.877 -0.346 9.030 260 1HE LYS 484 2HE LYS 484 2.911 0.887 9.219 261 2HE LYS 484 1HE LYS 484 2.058 2.314 9.805 262 1HZ LYS 484 1HZ LYS 484 2.506 1.558 11.830 263 2HZ LYS 484 2HZ LYS 484 3.002 0.045 11.259 264 3HZ LYS 484 3HZ LYS 484 1.365 0.338 11.558 265 H THR 485 H THR 485 0.954 2.334 4.191 266 HA THR 485 HA THR 485 1.209 0.085 2.336 267 HB THR 485 HB THR 485 0.917 2.064 1.116 268 HG1 THR 485 1HG THR 485 3.194 2.492 0.335 269 1HG2 THR 485 1HG2 THR 485 2.537 4.046 1.577 270 2HG2 THR 485 2HG2 THR 485 2.726 3.297 3.162 271 3HG2 THR 485 3HG2 THR 485 1.132 3.823 2.618 272 H GLN 486 H GLN 486 3.431 -0.431 1.531 273 HA GLN 486 HA GLN 486 5.649 0.152 3.272 274 1HB GLN 486 2HB GLN 486 6.061 -2.299 3.751 275 2HB GLN 486 1HB GLN 486 4.724 -1.564 4.627 276 1HG GLN 486 2HG GLN 486 3.148 -2.773 3.523 277 2HG GLN 486 1HG GLN 486 4.111 -2.894 2.054 278 1HE2 GLN 486 1HE2 GLN 486 5.282 -4.673 1.706 279 2HE2 GLN 486 2HE2 GLN 486 5.450 -5.977 2.825 280 H TRP 487 H TRP 487 7.613 -0.242 2.316 281 HA TRP 487 HA TRP 487 7.619 -0.604 -0.514 282 1HB TRP 487 2HB TRP 487 9.649 -0.035 1.583 283 2HB TRP 487 1HB TRP 487 10.231 -0.737 0.077 284 HD1 TRP 487 HD TRP 487 9.934 2.497 1.538 285 HE1 TRP 487 1HE TRP 487 9.687 4.358 -0.222 286 HE3 TRP 487 3HE TRP 487 8.677 -0.370 -2.503 287 HZ2 TRP 487 2HZ TRP 487 9.044 4.581 -2.963 288 HZ3 TRP 487 3HZ TRP 487 8.262 0.744 -4.657 289 HH2 TRP 487 HH TRP 487 8.442 3.170 -4.880 290 H GLU 488 H GLU 488 8.420 -2.612 2.252 291 HA GLU 488 HA GLU 488 9.710 -4.705 0.895 292 1HB GLU 488 2HB GLU 488 8.734 -4.184 3.548 293 2HB GLU 488 1HB GLU 488 8.304 -5.822 3.072 294 1HG GLU 488 2HG GLU 488 11.084 -4.688 2.900 295 2HG GLU 488 1HG GLU 488 10.474 -5.626 4.262 296 H ASP 489 H ASP 489 8.779 -6.984 0.819 297 HA ASP 489 HA ASP 489 6.218 -6.858 -0.594 298 1HB ASP 489 2HB ASP 489 8.197 -9.140 -0.531 299 2HB ASP 489 1HB ASP 489 6.842 -8.937 -1.637 300 HA PRO 490 HA PRO 490 4.594 -8.861 3.109 301 1HB PRO 490 2HB PRO 490 1.982 -8.511 2.560 302 2HB PRO 490 1HB PRO 490 3.008 -7.190 3.130 303 1HG PRO 490 2HG PRO 490 2.075 -7.804 0.362 304 2HG PRO 490 1HG PRO 490 2.237 -6.237 1.167 305 1HD PRO 490 2HD PRO 490 4.067 -7.267 -0.613 306 2HD PRO 490 1HD PRO 490 4.448 -6.059 0.627 307 H ARG 491 H ARG 491 3.388 -9.506 -0.171 308 HA ARG 491 HA ARG 491 2.257 -12.041 0.518 309 1HB ARG 491 2HB ARG 491 2.212 -12.313 -2.032 310 2HB ARG 491 1HB ARG 491 1.257 -11.013 -1.335 311 1HG ARG 491 2HG ARG 491 2.692 -9.368 -2.107 312 2HG ARG 491 1HG ARG 491 4.036 -10.495 -2.307 313 1HD ARG 491 2HD ARG 491 1.528 -10.374 -3.977 314 2HD ARG 491 1HD ARG 491 3.140 -9.856 -4.470 315 HE ARG 491 HE ARG 491 3.444 -12.477 -3.769 316 1HH1 ARG 491 1HH1 ARG 491 1.413 -10.738 -6.001 317 2HH1 ARG 491 2HH1 ARG 491 1.296 -12.053 -7.120 318 1HH2 ARG 491 1HH2 ARG 491 3.294 -14.216 -5.236 319 2HH2 ARG 491 2HH2 ARG 491 2.364 -14.033 -6.685 320 H MET 492 H MET 492 5.387 -10.934 -0.458 321 HA MET 492 HA MET 492 6.310 -13.594 -1.169 322 1HB MET 492 2HB MET 492 7.025 -11.317 -2.227 323 2HB MET 492 1HB MET 492 8.113 -11.223 -0.849 324 1HG MET 492 2HG MET 492 9.488 -12.797 -1.660 325 2HG MET 492 1HG MET 492 8.166 -13.774 -2.296 326 1HE MET 492 1HE MET 492 11.037 -12.631 -4.895 327 2HE MET 492 2HE MET 492 11.035 -13.030 -3.178 328 3HE MET 492 3HE MET 492 11.152 -11.347 -3.692 329 H GLN 493 H GLN 493 5.481 -12.668 1.665 330 HA GLN 493 HA GLN 493 7.909 -13.649 3.004 331 1HB GLN 493 2HB GLN 493 7.475 -11.249 3.461 332 2HB GLN 493 1HB GLN 493 5.903 -11.682 4.119 333 1HG GLN 493 2HG GLN 493 7.750 -11.270 5.784 334 2HG GLN 493 1HG GLN 493 6.853 -12.778 5.960 335 1HE2 GLN 493 1HE2 GLN 493 9.335 -12.092 3.573 336 2HE2 GLN 493 2HE2 GLN 493 10.480 -13.248 4.155 337 H ASN 494 H ASN 494 6.342 -15.587 2.216 338 HA ASN 494 HA ASN 494 5.357 -16.715 4.653 339 1HB ASN 494 2HB ASN 494 3.054 -17.205 3.576 340 2HB ASN 494 1HB ASN 494 3.326 -15.617 4.289 341 1HD2 ASN 494 1HD2 ASN 494 2.896 -17.413 1.361 342 2HD2 ASN 494 2HD2 ASN 494 2.676 -16.054 0.316 343 H VAL 495 H VAL 495 5.330 -16.952 1.114 344 HA VAL 495 HA VAL 495 5.479 -18.756 -0.293 345 HB VAL 495 HB VAL 495 7.452 -20.227 0.190 346 1HG1 VAL 495 1HG1 VAL 495 7.378 -17.733 -0.777 347 2HG1 VAL 495 2HG1 VAL 495 8.869 -18.661 -0.623 348 3HG1 VAL 495 3HG1 VAL 495 8.439 -17.473 0.607 349 1HG2 VAL 495 1HG2 VAL 495 7.795 -18.447 2.599 350 2HG2 VAL 495 2HG2 VAL 495 8.875 -19.737 2.070 351 3HG2 VAL 495 3HG2 VAL 495 7.259 -20.127 2.658 352 H ALA 496 H ALA 496 3.287 -19.343 0.830 353 HA ALA 496 HA ALA 496 1.891 -20.880 1.825 354 1HB ALA 496 1HB ALA 496 1.654 -22.567 0.372 355 2HB ALA 496 2HB ALA 496 3.307 -23.134 0.610 356 3HB ALA 496 3HB ALA 496 2.983 -21.796 -0.493 357 H ILE 497 H ILE 497 2.257 -20.908 4.012 358 HA ILE 497 HA ILE 497 4.450 -22.402 5.148 359 HB ILE 497 HB ILE 497 3.474 -21.783 7.324 360 1HG1 ILE 497 2HG1 ILE 497 1.376 -20.328 5.702 361 2HG1 ILE 497 1HG1 ILE 497 1.094 -21.845 6.552 362 1HG2 ILE 497 1HG2 ILE 497 5.037 -20.266 6.305 363 2HG2 ILE 497 2HG2 ILE 497 3.762 -19.334 7.090 364 3HG2 ILE 497 3HG2 ILE 497 3.756 -19.535 5.337 365 1HD1 ILE 497 1HD1 ILE 497 1.421 -20.803 8.667 366 2HD1 ILE 497 2HD1 ILE 497 0.319 -19.782 7.742 367 3HD1 ILE 497 3HD1 ILE 497 2.014 -19.324 7.911 368 H THR 498 H THR 498 1.072 -22.910 4.477 369 HA THR 498 HA THR 498 1.113 -25.441 5.969 370 HB THR 498 HB THR 498 -1.392 -24.492 4.681 371 HG1 THR 498 1HG THR 498 -1.696 -23.142 6.635 372 1HG2 THR 498 1HG2 THR 498 -1.839 -26.367 5.902 373 2HG2 THR 498 2HG2 THR 498 -2.066 -25.163 7.170 374 3HG2 THR 498 3HG2 THR 498 -0.548 -26.054 7.062 375 H GLY 499 H GLY 499 1.027 -27.368 4.958 376 1HA GLY 499 2HA GLY 499 -0.098 -28.388 2.849 377 2HA GLY 499 1HA GLY 499 1.032 -27.328 2.020 378 1H GLY 605 1HT GLY 605 17.766 4.423 -8.236 379 2H GLY 605 2HT GLY 605 16.681 5.612 -8.753 380 3H GLY 605 3HT GLY 605 16.532 4.948 -7.204 381 1HA GLY 605 1HA GLY 605 18.502 6.881 -8.219 382 2HA GLY 605 2HA GLY 605 17.536 6.956 -6.753 383 H SER 606 H SER 606 20.578 6.455 -7.927 384 HA SER 606 HA SER 606 21.493 4.426 -6.135 385 1HB SER 606 2HB SER 606 22.887 6.433 -7.899 386 2HB SER 606 1HB SER 606 23.786 5.374 -6.813 387 HG SER 606 HG SER 606 23.328 3.700 -8.041 388 H THR 607 H THR 607 21.266 7.919 -6.042 389 HA THR 607 HA THR 607 22.814 8.119 -3.602 390 HB THR 607 HB THR 607 21.544 10.555 -3.922 391 HG1 THR 607 1HG THR 607 20.721 10.229 -5.917 392 1HG2 THR 607 1HG2 THR 607 23.699 11.089 -3.746 393 2HG2 THR 607 2HG2 THR 607 23.929 10.634 -5.434 394 3HG2 THR 607 3HG2 THR 607 24.168 9.440 -4.159 395 H LEU 608 H LEU 608 19.436 8.305 -4.600 396 HA LEU 608 HA LEU 608 18.665 8.343 -1.756 397 1HB LEU 608 2HB LEU 608 17.958 10.368 -2.886 398 2HB LEU 608 1HB LEU 608 17.192 9.432 -4.154 399 HG LEU 608 HG LEU 608 16.060 8.594 -1.691 400 1HD1 LEU 608 1HD1 LEU 608 17.035 11.045 -1.209 401 2HD1 LEU 608 2HD1 LEU 608 15.539 10.439 -0.500 402 3HD1 LEU 608 3HD1 LEU 608 15.484 11.478 -1.926 403 1HD2 LEU 608 1HD2 LEU 608 14.807 8.434 -3.665 404 2HD2 LEU 608 2HD2 LEU 608 15.095 10.122 -4.087 405 3HD2 LEU 608 3HD2 LEU 608 14.026 9.719 -2.743 406 HA PRO 609 HA PRO 609 17.220 4.360 -3.756 407 1HB PRO 609 2HB PRO 609 18.441 2.649 -2.064 408 2HB PRO 609 1HB PRO 609 19.254 3.313 -3.487 409 1HG PRO 609 2HG PRO 609 19.447 4.170 -0.625 410 2HG PRO 609 1HG PRO 609 20.741 3.971 -1.822 411 1HD PRO 609 2HD PRO 609 19.676 6.390 -1.179 412 2HD PRO 609 1HD PRO 609 20.333 6.019 -2.786 413 H ILE 610 H ILE 610 17.483 5.379 -0.384 414 HA ILE 610 HA ILE 610 14.846 4.161 0.106 415 HB ILE 610 HB ILE 610 17.047 4.351 2.163 416 1HG1 ILE 610 2HG1 ILE 610 16.053 1.869 0.753 417 2HG1 ILE 610 1HG1 ILE 610 17.516 2.731 0.289 418 1HG2 ILE 610 1HG2 ILE 610 15.626 3.372 3.663 419 2HG2 ILE 610 2HG2 ILE 610 14.668 2.583 2.412 420 3HG2 ILE 610 3HG2 ILE 610 14.473 4.310 2.715 421 1HD1 ILE 610 1HD1 ILE 610 17.073 0.838 2.433 422 2HD1 ILE 610 2HD1 ILE 610 17.841 2.324 2.994 423 3HD1 ILE 610 3HD1 ILE 610 18.578 1.385 1.696 424 HA PRO 611 HA PRO 611 14.256 8.683 0.683 425 1HB PRO 611 2HB PRO 611 11.524 7.533 1.053 426 2HB PRO 611 1HB PRO 611 12.028 8.961 0.139 427 1HG PRO 611 2HG PRO 611 11.423 6.698 -1.120 428 2HG PRO 611 1HG PRO 611 12.779 7.704 -1.663 429 1HD PRO 611 2HD PRO 611 12.809 5.126 -0.169 430 2HD PRO 611 1HD PRO 611 13.955 5.750 -1.371 431 H GLY 612 H GLY 612 12.751 6.078 2.595 432 1HA GLY 612 2HA GLY 612 13.651 6.205 5.002 433 2HA GLY 612 1HA GLY 612 12.927 7.804 4.973 434 H THR 613 H THR 613 10.616 7.969 4.753 435 HA THR 613 HA THR 613 9.261 5.885 6.215 436 HB THR 613 HB THR 613 7.272 7.395 6.030 437 HG1 THR 613 1HG THR 613 7.392 9.207 4.873 438 1HG2 THR 613 1HG2 THR 613 8.528 7.663 7.996 439 2HG2 THR 613 2HG2 THR 613 8.371 9.297 7.354 440 3HG2 THR 613 3HG2 THR 613 9.876 8.406 7.136 441 HA PRO 614 HA PRO 614 7.276 3.565 3.053 442 1HB PRO 614 2HB PRO 614 4.648 4.281 4.247 443 2HB PRO 614 1HB PRO 614 5.333 2.689 3.907 444 1HG PRO 614 2HG PRO 614 5.214 3.617 6.403 445 2HG PRO 614 1HG PRO 614 6.613 2.680 5.841 446 1HD PRO 614 2HD PRO 614 6.349 5.623 6.274 447 2HD PRO 614 1HD PRO 614 7.738 4.557 6.572 448 HA PRO 615 HA PRO 615 5.890 6.038 -0.315 449 1HB PRO 615 2HB PRO 615 3.537 4.219 -0.544 450 2HB PRO 615 1HB PRO 615 4.699 4.716 -1.780 451 1HG PRO 615 2HG PRO 615 4.837 2.293 -0.693 452 2HG PRO 615 1HG PRO 615 6.311 3.209 -1.060 453 1HD PRO 615 2HD PRO 615 4.994 2.703 1.568 454 2HD PRO 615 1HD PRO 615 6.720 2.841 1.176 455 HA PRO 616 HA PRO 616 2.617 8.894 0.497 456 1HB PRO 616 2HB PRO 616 0.870 7.754 -1.632 457 2HB PRO 616 1HB PRO 616 1.399 9.422 -1.382 458 1HG PRO 616 2HG PRO 616 2.479 7.932 -3.305 459 2HG PRO 616 1HG PRO 616 3.474 9.049 -2.351 460 1HD PRO 616 2HD PRO 616 3.256 6.076 -2.171 461 2HD PRO 616 1HD PRO 616 4.676 7.120 -1.958 462 H ASN 617 H ASN 617 1.064 8.980 2.007 463 HA ASN 617 HA ASN 617 0.011 6.680 3.197 464 1HB ASN 617 2HB ASN 617 -0.123 9.526 3.613 465 2HB ASN 617 1HB ASN 617 -1.722 8.818 3.831 466 1HD2 ASN 617 1HD2 ASN 617 -0.995 6.323 4.819 467 2HD2 ASN 617 2HD2 ASN 617 -0.292 6.529 6.384 468 H TYR 618 H TYR 618 -2.141 5.866 3.283 469 HA TYR 618 HA TYR 618 -3.384 5.591 0.781 470 1HB TYR 618 2HB TYR 618 -3.562 3.923 2.594 471 2HB TYR 618 1HB TYR 618 -4.550 5.048 3.520 472 HD1 TYR 618 1HD TYR 618 -4.520 3.678 0.035 473 HD2 TYR 618 2HD TYR 618 -6.801 4.587 3.508 474 HE1 TYR 618 1HE TYR 618 -6.536 2.805 -1.069 475 HE2 TYR 618 2HE TYR 618 -8.824 3.716 2.415 476 HH TYR 618 HH TYR 618 -8.683 2.075 -0.674 477 H ASP 619 H ASP 619 -4.264 7.544 3.612 478 HA ASP 619 HA ASP 619 -6.663 8.574 2.550 479 1HB ASP 619 2HB ASP 619 -6.367 10.369 4.285 480 2HB ASP 619 1HB ASP 619 -6.283 8.725 4.912 481 H SER 620 H SER 620 -3.345 9.373 2.012 482 HA SER 620 HA SER 620 -3.878 11.993 0.931 483 1HB SER 620 2HB SER 620 -1.665 10.935 2.021 484 2HB SER 620 1HB SER 620 -1.316 10.616 0.322 485 HG SER 620 HG SER 620 -1.921 12.948 0.061 486 H LEU 621 H LEU 621 -3.798 8.753 -0.246 487 HA LEU 621 HA LEU 621 -3.279 9.375 -2.983 488 1HB LEU 621 2HB LEU 621 -4.289 6.968 -1.517 489 2HB LEU 621 1HB LEU 621 -4.380 7.026 -3.267 490 HG LEU 621 HG LEU 621 -1.796 7.453 -1.785 491 1HD1 LEU 621 1HD1 LEU 621 -2.632 5.274 -1.141 492 2HD1 LEU 621 2HD1 LEU 621 -1.284 5.099 -2.265 493 3HD1 LEU 621 3HD1 LEU 621 -2.939 4.868 -2.829 494 1HD2 LEU 621 1HD2 LEU 621 -2.078 8.185 -4.187 495 2HD2 LEU 621 2HD2 LEU 621 -2.272 6.479 -4.591 496 3HD2 LEU 621 3HD2 LEU 621 -0.764 7.050 -3.874
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