NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
537588 | 2lab | 17519 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 530 H GLY 530 3.565 22.447 -4.134 2 HA2 GLY 530 HA2 GLY 530 1.577 22.803 -5.240 3 HA3 GLY 530 HA3 GLY 530 2.546 22.075 -6.505 4 H GLY 531 H GLY 531 1.743 20.278 -7.512 5 HA2 GLY 531 HA2 GLY 531 0.458 18.485 -7.936 6 HA3 GLY 531 HA3 GLY 531 0.493 18.139 -6.218 7 H THR 532 H THR 532 -1.706 18.111 -8.422 8 HA THR 532 HA THR 532 -3.583 20.018 -7.242 9 HB THR 532 HB THR 532 -3.691 18.217 -9.720 10 HG1 THR 532 HG1 THR 532 -3.323 21.072 -9.140 11 HG21 THR 532 HG21 THR 532 -5.476 20.177 -10.216 12 HG22 THR 532 HG22 THR 532 -5.971 18.672 -9.406 13 HG23 THR 532 HG23 THR 532 -5.647 20.134 -8.445 14 H THR 533 H THR 533 -4.002 16.630 -8.438 15 HA THR 533 HA THR 533 -4.662 15.635 -5.868 16 HB THR 533 HB THR 533 -6.772 16.948 -7.484 17 HG1 THR 533 HG1 THR 533 -6.442 15.710 -4.842 18 HG21 THR 533 HG21 THR 533 -6.992 14.033 -6.661 19 HG22 THR 533 HG22 THR 533 -8.407 15.099 -6.495 20 HG23 THR 533 HG23 THR 533 -7.670 14.840 -8.095 21 H ASN 534 H ASN 534 -3.167 14.039 -6.446 22 HA ASN 534 HA ASN 534 -3.933 12.462 -8.757 23 HB2 ASN 534 HB2 ASN 534 -1.409 13.249 -7.595 24 HB3 ASN 534 HB3 ASN 534 -1.515 11.505 -7.460 25 HD21 ASN 534 HD21 ASN 534 0.150 13.265 -9.143 26 HD22 ASN 534 HD22 ASN 534 -0.093 12.766 -10.784 27 H LYS 535 H LYS 535 -3.151 9.931 -8.217 28 HA LYS 535 HA LYS 535 -3.952 9.220 -5.519 29 HB2 LYS 535 HB2 LYS 535 -5.506 8.497 -8.000 30 HB3 LYS 535 HB3 LYS 535 -5.514 7.450 -6.595 31 HG2 LYS 535 HG2 LYS 535 -6.391 9.233 -5.175 32 HG3 LYS 535 HG3 LYS 535 -6.165 10.427 -6.437 33 HD2 LYS 535 HD2 LYS 535 -8.153 9.908 -7.415 34 HD3 LYS 535 HD3 LYS 535 -7.786 8.195 -7.420 35 HE2 LYS 535 HE2 LYS 535 -8.552 7.954 -5.102 36 HE3 LYS 535 HE3 LYS 535 -8.728 9.689 -4.929 37 HZ2 LYS 535 HZ2 LYS 535 -10.551 9.686 -6.430 38 HZ3 LYS 535 HZ3 LYS 535 -10.249 8.183 -6.978 39 H VAL 536 H VAL 536 -3.264 7.062 -4.918 40 HA VAL 536 HA VAL 536 -1.291 5.976 -6.808 41 HB VAL 536 HB VAL 536 -0.240 5.181 -4.539 42 HG11 VAL 536 HG11 VAL 536 -0.009 7.881 -5.862 43 HG12 VAL 536 HG12 VAL 536 1.005 7.457 -4.461 44 HG13 VAL 536 HG13 VAL 536 1.090 6.484 -5.949 45 HG21 VAL 536 HG21 VAL 536 -0.700 6.359 -2.624 46 HG22 VAL 536 HG22 VAL 536 -1.251 7.803 -3.508 47 HG23 VAL 536 HG23 VAL 536 -2.312 6.379 -3.379 48 H THR 537 H THR 537 -1.892 4.021 -7.566 49 HA THR 537 HA THR 537 -3.753 2.456 -5.919 50 HB THR 537 HB THR 537 -3.101 2.582 -8.901 51 HG1 THR 537 HG1 THR 537 -5.531 2.758 -7.268 52 HG21 THR 537 HG21 THR 537 -5.368 0.895 -7.951 53 HG22 THR 537 HG22 THR 537 -4.238 0.613 -9.298 54 HG23 THR 537 HG23 THR 537 -3.758 0.205 -7.633 55 H VAL 538 H VAL 538 -3.056 0.746 -4.812 56 HA VAL 538 HA VAL 538 -0.626 -0.564 -5.813 57 HB VAL 538 HB VAL 538 -1.283 -0.265 -2.892 58 HG11 VAL 538 HG11 VAL 538 0.980 -0.873 -2.523 59 HG12 VAL 538 HG12 VAL 538 0.374 -1.993 -3.767 60 HG13 VAL 538 HG13 VAL 538 1.410 -0.622 -4.231 61 HG21 VAL 538 HG21 VAL 538 0.184 1.665 -2.753 62 HG22 VAL 538 HG22 VAL 538 0.482 1.605 -4.507 63 HG23 VAL 538 HG23 VAL 538 -1.140 2.004 -3.893 64 H TYR 539 H TYR 539 -0.758 -2.771 -5.994 65 HA TYR 539 HA TYR 539 -3.286 -3.953 -5.081 66 HB2 TYR 539 HB2 TYR 539 -1.460 -4.080 -7.441 67 HB3 TYR 539 HB3 TYR 539 -1.882 -5.676 -6.853 68 HD1 TYR 539 HD1 TYR 539 -3.770 -2.455 -7.316 69 HD2 TYR 539 HD2 TYR 539 -3.567 -6.656 -8.095 70 HE1 TYR 539 HE1 TYR 539 -5.981 -2.337 -8.566 71 HE2 TYR 539 HE2 TYR 539 -5.779 -6.525 -9.342 72 HH TYR 539 HH TYR 539 -7.129 -3.596 -10.312 73 H TYR 540 H TYR 540 -3.226 -5.358 -3.402 74 HA TYR 540 HA TYR 540 -0.601 -6.489 -2.722 75 HB2 TYR 540 HB2 TYR 540 -1.816 -4.975 -1.075 76 HB3 TYR 540 HB3 TYR 540 -3.223 -6.016 -1.170 77 HD1 TYR 540 HD1 TYR 540 0.459 -6.535 -0.588 78 HD2 TYR 540 HD2 TYR 540 -3.541 -7.315 0.715 79 HE1 TYR 540 HE1 TYR 540 1.352 -7.926 1.344 80 HE2 TYR 540 HE2 TYR 540 -2.634 -8.703 2.643 81 HH TYR 540 HH TYR 540 -0.108 -8.560 3.931 82 H LYS 541 H LYS 541 -0.339 -8.707 -2.470 83 HA LYS 541 HA LYS 541 -2.531 -10.297 -3.529 84 HB2 LYS 541 HB2 LYS 541 -0.099 -10.377 -4.367 85 HB3 LYS 541 HB3 LYS 541 0.263 -11.249 -2.892 86 HG2 LYS 541 HG2 LYS 541 -1.171 -13.073 -3.467 87 HG3 LYS 541 HG3 LYS 541 -2.039 -12.133 -4.664 88 HD2 LYS 541 HD2 LYS 541 -0.527 -12.616 -6.303 89 HD3 LYS 541 HD3 LYS 541 0.839 -12.253 -5.267 90 HE2 LYS 541 HE2 LYS 541 1.226 -14.461 -4.906 91 HE3 LYS 541 HE3 LYS 541 -0.413 -14.703 -4.335 92 HZ2 LYS 541 HZ2 LYS 541 0.173 -15.988 -6.387 93 HZ3 LYS 541 HZ3 LYS 541 -1.150 -15.058 -6.579 94 H LYS 542 H LYS 542 -3.978 -11.164 -2.153 95 HA LYS 542 HA LYS 542 -3.316 -11.347 0.638 96 HB2 LYS 542 HB2 LYS 542 -5.480 -10.645 0.419 97 HB3 LYS 542 HB3 LYS 542 -5.764 -11.566 -1.044 98 HG2 LYS 542 HG2 LYS 542 -6.411 -13.457 0.103 99 HG3 LYS 542 HG3 LYS 542 -5.213 -13.234 1.362 100 HD2 LYS 542 HD2 LYS 542 -7.565 -12.956 2.199 101 HD3 LYS 542 HD3 LYS 542 -6.578 -11.533 2.466 102 HE2 LYS 542 HE2 LYS 542 -7.617 -10.322 0.684 103 HE3 LYS 542 HE3 LYS 542 -8.264 -11.776 -0.050 104 HZ2 LYS 542 HZ2 LYS 542 -10.052 -10.761 1.104 105 HZ3 LYS 542 HZ3 LYS 542 -9.630 -12.010 2.061 106 H GLY 543 H GLY 543 -2.718 -14.716 1.201 107 HA2 GLY 543 HA2 GLY 543 -2.011 -12.324 2.154 108 HA3 GLY 543 HA3 GLY 543 -3.756 -12.163 2.122 109 H PHE 544 H PHE 544 -4.514 -12.424 4.182 110 HA PHE 544 HA PHE 544 -3.598 -14.822 5.597 111 HB2 PHE 544 HB2 PHE 544 -3.688 -11.895 6.337 112 HB3 PHE 544 HB3 PHE 544 -4.240 -12.994 7.585 113 HD1 PHE 544 HD2 PHE 544 -2.554 -15.171 7.750 114 HD2 PHE 544 HD1 PHE 544 -1.498 -11.242 6.543 115 HE1 PHE 544 HE2 PHE 544 -0.175 -15.605 8.420 116 HE2 PHE 544 HE1 PHE 544 0.881 -11.676 7.213 117 HZ PHE 544 HZ PHE 544 1.515 -13.853 8.143 118 H ASN 545 H ASN 545 -5.864 -12.252 6.675 119 HA ASN 545 HA ASN 545 -8.083 -13.974 6.029 120 HB2 ASN 545 HB2 ASN 545 -8.918 -13.405 8.506 121 HB3 ASN 545 HB3 ASN 545 -7.882 -14.790 8.222 122 HD21 ASN 545 HD21 ASN 545 -5.669 -14.681 8.689 123 HD22 ASN 545 HD22 ASN 545 -5.010 -13.524 9.796 124 H SER 546 H SER 546 -6.958 -10.998 7.805 125 HA SER 546 HA SER 546 -8.491 -9.344 6.114 126 HB2 SER 546 HB2 SER 546 -10.292 -10.156 7.641 127 HB3 SER 546 HB3 SER 546 -9.383 -9.579 9.023 128 HG SER 546 HG SER 546 -9.762 -7.627 7.045 129 HA PRO 547 HA PRO 547 -4.882 -7.621 8.369 130 HB2 PRO 547 HB2 PRO 547 -3.143 -7.381 6.274 131 HB3 PRO 547 HB3 PRO 547 -3.138 -8.747 7.372 132 HG2 PRO 547 HG2 PRO 547 -4.138 -8.606 4.593 133 HG3 PRO 547 HG3 PRO 547 -3.734 -10.022 5.544 134 HD2 PRO 547 HD2 PRO 547 -6.365 -9.038 4.962 135 HD3 PRO 547 HD3 PRO 547 -5.957 -10.384 6.008 136 H TYR 548 H TYR 548 -4.205 -5.465 8.567 137 HA TYR 548 HA TYR 548 -5.730 -3.753 6.727 138 HB2 TYR 548 HB2 TYR 548 -5.046 -3.869 9.658 139 HB3 TYR 548 HB3 TYR 548 -4.919 -2.265 8.964 140 HD1 TYR 548 HD1 TYR 548 -7.216 -4.995 9.848 141 HD2 TYR 548 HD2 TYR 548 -6.904 -1.071 8.170 142 HE1 TYR 548 HE1 TYR 548 -9.728 -4.684 10.090 143 HE2 TYR 548 HE2 TYR 548 -9.417 -0.774 8.417 144 HH TYR 548 HH TYR 548 -11.208 -1.643 9.749 145 H ILE 549 H ILE 549 -4.746 -1.767 5.981 146 HA ILE 549 HA ILE 549 -1.812 -1.864 6.126 147 HB ILE 549 HB ILE 549 -2.125 -2.381 3.948 148 HG12 ILE 549 HG11 ILE 549 -2.511 0.602 3.648 149 HG13 ILE 549 HG12 ILE 549 -1.010 -0.088 4.232 150 HG21 ILE 549 HG21 ILE 549 -4.514 -2.539 3.935 151 HG22 ILE 549 HG22 ILE 549 -4.687 -0.768 3.996 152 HG23 ILE 549 HG23 ILE 549 -4.016 -1.547 2.543 153 HD11 ILE 549 HD11 ILE 549 -2.339 -0.550 1.532 154 HD12 ILE 549 HD12 ILE 549 -0.739 0.158 1.860 155 HD13 ILE 549 HD13 ILE 549 -1.017 -1.579 2.132 156 H HIS 550 H HIS 550 -0.705 0.095 6.455 157 HA HIS 550 HA HIS 550 -2.443 2.394 6.960 158 HB2 HIS 550 HB2 HIS 550 -1.730 1.161 9.062 159 HB3 HIS 550 HB3 HIS 550 -0.083 1.635 8.696 160 HD1 HIS 550 HD1 HIS 550 -1.995 4.434 7.610 161 HD2 HIS 550 HE2 HIS 550 -0.871 2.959 11.373 162 HE1 HIS 550 HE1 HIS 550 -2.213 6.387 9.238 163 H TYR 551 H TYR 551 -1.895 4.034 5.623 164 HA TYR 551 HA TYR 551 0.956 4.342 4.990 165 HB2 TYR 551 HB2 TYR 551 -0.274 5.175 2.706 166 HB3 TYR 551 HB3 TYR 551 0.141 3.488 2.933 167 HD1 TYR 551 HD2 TYR 551 -2.682 5.789 3.878 168 HD2 TYR 551 HD1 TYR 551 -1.504 1.960 2.378 169 HE1 TYR 551 HE2 TYR 551 -5.124 5.143 3.590 170 HE2 TYR 551 HE1 TYR 551 -3.950 1.326 2.095 171 HH TYR 551 HH TYR 551 -6.166 2.838 1.709 172 H ARG 552 H ARG 552 1.478 6.574 4.172 173 HA ARG 552 HA ARG 552 -0.506 8.529 4.893 174 HB2 ARG 552 HB2 ARG 552 1.187 9.810 6.277 175 HB3 ARG 552 HB3 ARG 552 0.704 8.289 7.000 176 HG2 ARG 552 HG2 ARG 552 2.773 7.295 6.654 177 HG3 ARG 552 HG3 ARG 552 3.071 8.170 5.165 178 HD2 ARG 552 HD2 ARG 552 3.617 10.221 6.402 179 HD3 ARG 552 HD3 ARG 552 3.124 9.493 7.919 180 HE ARG 552 HE ARG 552 5.188 7.922 6.597 181 HH11 ARG 552 HH22 ARG 552 4.664 10.772 8.636 182 HH12 ARG 552 HH21 ARG 552 6.255 10.728 9.320 183 HH22 ARG 552 HH1 ARG 552 7.779 9.010 8.638 184 HA PRO 553 HA PRO 553 1.434 10.669 1.625 185 HB2 PRO 553 HB2 PRO 553 0.951 13.295 2.210 186 HB3 PRO 553 HB3 PRO 553 -0.252 12.233 1.504 187 HG2 PRO 553 HG2 PRO 553 -0.053 13.218 4.284 188 HG3 PRO 553 HG3 PRO 553 -1.436 12.526 3.461 189 HD2 PRO 553 HD2 PRO 553 0.248 11.221 5.381 190 HD3 PRO 553 HD3 PRO 553 -1.063 10.496 4.472 191 H ALA 554 H ALA 554 3.370 11.389 0.835 192 HA ALA 554 HA ALA 554 5.641 11.153 1.729 193 HB1 ALA 554 HB1 ALA 554 5.370 14.089 1.396 194 HB2 ALA 554 HB2 ALA 554 6.356 12.919 0.486 195 HB3 ALA 554 HB3 ALA 554 4.628 13.112 0.107 196 H GLY 555 H GLY 555 5.507 10.544 3.995 197 HA2 GLY 555 HA2 GLY 555 5.434 10.945 6.246 198 HA3 GLY 555 HA3 GLY 555 6.788 11.966 5.806 199 H GLY 556 H GLY 556 3.154 12.027 5.898 200 HA2 GLY 556 HA2 GLY 556 3.350 14.839 6.804 201 HA3 GLY 556 HA3 GLY 556 2.114 14.260 5.704 202 H SER 557 H SER 557 0.371 12.944 6.475 203 HA SER 557 HA SER 557 0.248 12.876 9.389 204 HB2 SER 557 HB2 SER 557 -2.373 12.660 8.202 205 HB3 SER 557 HB3 SER 557 -1.755 13.908 9.266 206 HG SER 557 HG SER 557 -2.363 14.144 6.669 207 H TRP 558 H TRP 558 -0.388 10.920 10.388 208 HA TRP 558 HA TRP 558 -0.409 8.621 8.595 209 HB2 TRP 558 HB2 TRP 558 0.186 9.038 11.503 210 HB3 TRP 558 HB3 TRP 558 -0.281 7.450 10.930 211 HD1 TRP 558 HD TRP 558 2.721 9.689 11.157 212 HE1 TRP 558 HE1 TRP 558 4.854 8.660 9.992 213 HE3 TRP 558 HE3 TRP 558 0.250 5.954 8.749 214 HZ2 TRP 558 HZ2 TRP 558 5.259 6.448 8.235 215 HZ3 TRP 558 HZ3 TRP 558 1.589 4.403 7.329 216 HH2 TRP 558 HH TRP 558 4.009 4.605 7.052 217 H THR 559 H THR 559 -2.472 8.298 7.801 218 HA THR 559 HA THR 559 -4.837 9.099 8.823 219 HB THR 559 HB THR 559 -4.378 6.368 7.527 220 HG1 THR 559 HG1 THR 559 -3.423 7.630 5.981 221 HG21 THR 559 HG21 THR 559 -6.624 8.374 7.707 222 HG22 THR 559 HG22 THR 559 -6.381 7.558 6.144 223 HG23 THR 559 HG23 THR 559 -6.705 6.598 7.608 224 H ALA 560 H ALA 560 -6.647 7.806 9.836 225 HA ALA 560 HA ALA 560 -5.919 7.134 12.425 226 HB1 ALA 560 HB1 ALA 560 -8.326 7.139 10.729 227 HB2 ALA 560 HB2 ALA 560 -8.356 5.884 11.991 228 HB3 ALA 560 HB3 ALA 560 -8.133 7.593 12.439 229 H ALA 561 H ALA 561 -4.613 5.471 13.013 230 HA ALA 561 HA ALA 561 -4.376 3.151 11.373 231 HB1 ALA 561 HB1 ALA 561 -2.493 2.817 12.594 232 HB2 ALA 561 HB2 ALA 561 -2.792 4.463 13.202 233 HB3 ALA 561 HB3 ALA 561 -3.340 3.055 14.142 234 HA PRO 562 HA PRO 562 -4.174 1.328 11.236 235 HB2 PRO 562 HB2 PRO 562 -5.546 -0.649 9.941 236 HB3 PRO 562 HB3 PRO 562 -4.451 -0.957 11.275 237 HG2 PRO 562 HG2 PRO 562 -7.408 -0.978 11.261 238 HG3 PRO 562 HG3 PRO 562 -6.310 -1.682 12.432 239 HD2 PRO 562 HD2 PRO 562 -7.812 0.743 12.730 240 HD3 PRO 562 HD3 PRO 562 -6.629 0.099 13.850 241 H GLY 563 H GLY 563 -3.815 2.042 9.152 242 HA2 GLY 563 HA2 GLY 563 -5.207 4.115 8.199 243 HA3 GLY 563 HA3 GLY 563 -4.399 2.959 7.159 244 H VAL 564 H VAL 564 -5.597 1.465 5.935 245 HA VAL 564 HA VAL 564 -8.478 1.407 6.426 246 HB VAL 564 HB VAL 564 -7.447 1.636 3.626 247 HG11 VAL 564 HG11 VAL 564 -9.696 2.715 3.321 248 HG12 VAL 564 HG12 VAL 564 -9.756 1.021 3.865 249 HG13 VAL 564 HG13 VAL 564 -10.045 2.339 5.025 250 HG21 VAL 564 HG21 VAL 564 -6.440 3.536 4.868 251 HG22 VAL 564 HG22 VAL 564 -7.641 4.057 3.662 252 HG23 VAL 564 HG23 VAL 564 -8.069 4.029 5.389 253 H LYS 565 H LYS 565 -9.532 -0.483 5.364 254 HA LYS 565 HA LYS 565 -7.726 -2.740 5.497 255 HB2 LYS 565 HB2 LYS 565 -9.859 -2.757 6.734 256 HB3 LYS 565 HB3 LYS 565 -10.744 -2.606 5.229 257 HG2 LYS 565 HG2 LYS 565 -8.737 -4.835 5.379 258 HG3 LYS 565 HG3 LYS 565 -10.168 -5.007 6.375 259 HD2 LYS 565 HD2 LYS 565 -10.771 -4.082 3.624 260 HD3 LYS 565 HD3 LYS 565 -9.991 -5.651 3.666 261 HE2 LYS 565 HE2 LYS 565 -11.711 -6.570 5.117 262 HE3 LYS 565 HE3 LYS 565 -12.391 -4.985 5.426 263 HZ2 LYS 565 HZ2 LYS 565 -13.722 -6.039 3.759 264 HZ3 LYS 565 HZ3 LYS 565 -12.886 -4.881 2.976 265 H MET 566 H MET 566 -6.670 -3.435 3.725 266 HA MET 566 HA MET 566 -6.690 -2.536 1.304 267 HB2 MET 566 HB2 MET 566 -6.444 -5.329 2.411 268 HB3 MET 566 HB3 MET 566 -6.542 -5.208 0.665 269 HG2 MET 566 HG2 MET 566 -4.632 -3.377 2.133 270 HG3 MET 566 HG3 MET 566 -4.183 -5.057 1.921 271 HE1 MET 566 HE1 MET 566 -3.070 -1.951 0.313 272 HE2 MET 566 HE2 MET 566 -2.294 -3.413 0.967 273 HE3 MET 566 HE3 MET 566 -2.188 -3.051 -0.772 274 H GLN 567 H GLN 567 -8.055 -2.213 -0.410 275 HA GLN 567 HA GLN 567 -10.673 -3.390 -0.190 276 HB2 GLN 567 HB2 GLN 567 -9.460 -1.062 -1.633 277 HB3 GLN 567 HB3 GLN 567 -10.839 -1.819 -2.404 278 HG2 GLN 567 HG2 GLN 567 -11.767 -1.679 0.172 279 HG3 GLN 567 HG3 GLN 567 -10.700 -0.288 0.165 280 HE21 GLN 567 HE12 GLN 567 -13.500 -0.205 0.416 281 HE22 GLN 567 HE22 GLN 567 -14.175 0.640 -0.937 282 H ASP 568 H ASP 568 -11.036 -5.355 -1.119 283 HA ASP 568 HA ASP 568 -9.447 -6.814 -2.583 284 HB2 ASP 568 HB2 ASP 568 -11.287 -8.135 -3.016 285 HB3 ASP 568 HB3 ASP 568 -12.045 -7.032 -1.885 286 HD2 ASP 568 HD ASP 568 -13.313 -7.325 -5.573 287 H ALA 569 H ALA 569 -8.946 -7.141 -4.869 288 HA ALA 569 HA ALA 569 -9.079 -4.728 -6.417 289 HB1 ALA 569 HB1 ALA 569 -7.487 -5.773 -7.785 290 HB2 ALA 569 HB2 ALA 569 -7.152 -6.484 -6.188 291 HB3 ALA 569 HB3 ALA 569 -8.079 -7.406 -7.397 292 H GLU 570 H GLU 570 -9.181 -6.493 -8.957 293 HA GLU 570 HA GLU 570 -12.052 -6.978 -8.911 294 HB2 GLU 570 HB2 GLU 570 -12.342 -5.885 -11.047 295 HB3 GLU 570 HB3 GLU 570 -11.504 -4.764 -9.993 296 HG2 GLU 570 HG2 GLU 570 -9.309 -5.522 -11.004 297 HG3 GLU 570 HG3 GLU 570 -10.207 -6.536 -12.116 298 HE2 GLU 570 HE GLU 570 -9.305 -3.421 -11.357 299 H ILE 571 H ILE 571 -9.125 -8.384 -9.071 300 HA ILE 571 HA ILE 571 -9.515 -9.966 -11.451 301 HB ILE 571 HB ILE 571 -7.426 -9.959 -9.275 302 HG12 ILE 571 HG11 ILE 571 -7.006 -9.269 -12.174 303 HG13 ILE 571 HG12 ILE 571 -7.655 -8.074 -11.069 304 HG21 ILE 571 HG21 ILE 571 -7.529 -11.657 -11.784 305 HG22 ILE 571 HG22 ILE 571 -6.164 -11.541 -10.648 306 HG23 ILE 571 HG23 ILE 571 -7.711 -12.238 -10.111 307 HD11 ILE 571 HD11 ILE 571 -4.957 -9.457 -10.980 308 HD12 ILE 571 HD12 ILE 571 -5.320 -7.714 -10.945 309 HD13 ILE 571 HD13 ILE 571 -5.647 -8.721 -9.513 310 H SER 572 H SER 572 -8.579 -11.242 -8.228 311 HA SER 572 HA SER 572 -10.929 -12.327 -7.462 312 HB2 SER 572 HB2 SER 572 -10.069 -13.621 -9.845 313 HB3 SER 572 HB3 SER 572 -9.729 -14.752 -8.550 314 HG SER 572 HG SER 572 -12.080 -14.336 -9.695 315 H GLY 573 H GLY 573 -10.019 -11.995 -5.402 316 HA2 GLY 573 HA2 GLY 573 -9.077 -13.041 -3.549 317 HA3 GLY 573 HA3 GLY 573 -8.025 -13.981 -4.590 318 H TYR 574 H TYR 574 -8.157 -10.735 -5.684 319 HA TYR 574 HA TYR 574 -5.575 -10.216 -4.390 320 HB2 TYR 574 HB2 TYR 574 -6.953 -9.744 -7.016 321 HB3 TYR 574 HB3 TYR 574 -6.074 -8.342 -6.439 322 HD1 TYR 574 HD1 TYR 574 -5.708 -11.922 -7.372 323 HD2 TYR 574 HD2 TYR 574 -3.697 -8.231 -6.574 324 HE1 TYR 574 HE1 TYR 574 -3.541 -12.899 -8.275 325 HE2 TYR 574 HE2 TYR 574 -1.537 -9.220 -7.480 326 HH TYR 574 HH TYR 574 -1.024 -11.130 -9.219 327 H ALA 575 H ALA 575 -5.093 -7.916 -3.817 328 HA ALA 575 HA ALA 575 -7.550 -6.528 -2.989 329 HB1 ALA 575 HB1 ALA 575 -5.882 -5.699 -1.106 330 HB2 ALA 575 HB2 ALA 575 -6.711 -7.266 -0.953 331 HB3 ALA 575 HB3 ALA 575 -5.021 -7.204 -1.505 332 H LYS 576 H LYS 576 -7.346 -4.153 -2.871 333 HA LYS 576 HA LYS 576 -5.021 -2.979 -4.080 334 HB2 LYS 576 HB2 LYS 576 -5.903 -2.264 -6.093 335 HB3 LYS 576 HB3 LYS 576 -6.538 -3.892 -5.974 336 HG2 LYS 576 HG2 LYS 576 -8.669 -2.954 -4.994 337 HG3 LYS 576 HG3 LYS 576 -8.032 -1.337 -5.216 338 HD2 LYS 576 HD2 LYS 576 -7.913 -3.055 -7.649 339 HD3 LYS 576 HD3 LYS 576 -9.535 -2.702 -7.091 340 HE2 LYS 576 HE2 LYS 576 -8.723 -0.210 -6.943 341 HE3 LYS 576 HE3 LYS 576 -7.374 -0.734 -7.931 342 HZ2 LYS 576 HZ2 LYS 576 -9.662 -1.760 -9.132 343 HZ3 LYS 576 HZ3 LYS 576 -10.031 -0.219 -8.756 344 H ILE 577 H ILE 577 -4.897 -0.723 -3.669 345 HA ILE 577 HA ILE 577 -7.172 0.448 -2.281 346 HB ILE 577 HB ILE 577 -6.237 0.641 -0.277 347 HG12 ILE 577 HG11 ILE 577 -4.625 2.299 -0.921 348 HG13 ILE 577 HG12 ILE 577 -3.845 1.142 0.140 349 HG21 ILE 577 HG21 ILE 577 -4.894 -1.203 0.407 350 HG22 ILE 577 HG22 ILE 577 -5.957 -1.778 -0.900 351 HG23 ILE 577 HG23 ILE 577 -4.245 -1.425 -1.236 352 HD11 ILE 577 HD11 ILE 577 -3.040 1.903 -2.484 353 HD12 ILE 577 HD12 ILE 577 -2.314 0.649 -1.451 354 HD13 ILE 577 HD13 ILE 577 -3.602 0.218 -2.601 355 H THR 578 H THR 578 -7.202 2.759 -2.372 356 HA THR 578 HA THR 578 -5.145 3.895 -4.148 357 HB THR 578 HB THR 578 -8.101 4.644 -4.206 358 HG1 THR 578 HG1 THR 578 -6.501 2.575 -5.525 359 HG21 THR 578 HG21 THR 578 -7.598 5.499 -6.389 360 HG22 THR 578 HG22 THR 578 -6.217 6.026 -5.396 361 HG23 THR 578 HG23 THR 578 -6.056 4.613 -6.467 362 H VAL 579 H VAL 579 -4.209 5.752 -3.495 363 HA VAL 579 HA VAL 579 -5.523 7.155 -1.278 364 HB VAL 579 HB VAL 579 -2.543 6.777 -1.457 365 HG11 VAL 579 HG11 VAL 579 -2.844 8.426 0.092 366 HG12 VAL 579 HG12 VAL 579 -4.490 7.891 0.509 367 HG13 VAL 579 HG13 VAL 579 -3.080 7.021 1.159 368 HG21 VAL 579 HG21 VAL 579 -3.246 5.072 0.542 369 HG22 VAL 579 HG22 VAL 579 -4.591 4.817 -0.595 370 HG23 VAL 579 HG23 VAL 579 -2.913 4.568 -1.133 371 H ASP 580 H ASP 580 -5.741 9.319 -1.621 372 HA ASP 580 HA ASP 580 -4.799 10.319 -4.102 373 HB2 ASP 580 HB2 ASP 580 -6.985 11.020 -3.292 374 HB3 ASP 580 HB3 ASP 580 -6.316 11.549 -1.762 375 HD2 ASP 580 HD ASP 580 -7.389 13.147 -4.601 376 H ILE 581 H ILE 581 -3.342 12.214 -4.320 377 HA ILE 581 HA ILE 581 -1.963 13.096 -1.939 378 HB ILE 581 HB ILE 581 0.254 12.562 -2.844 379 HG12 ILE 581 HG11 ILE 581 -1.247 10.912 -4.899 380 HG13 ILE 581 HG12 ILE 581 -0.374 12.395 -5.226 381 HG21 ILE 581 HG21 ILE 581 -1.448 10.082 -2.491 382 HG22 ILE 581 HG22 ILE 581 0.292 10.261 -2.164 383 HG23 ILE 581 HG23 ILE 581 -0.895 11.128 -1.160 384 HD11 ILE 581 HD11 ILE 581 0.667 9.727 -5.101 385 HD12 ILE 581 HD12 ILE 581 1.556 11.235 -5.424 386 HD13 ILE 581 HD13 ILE 581 1.384 10.643 -3.754 387 H GLY 582 H GLY 582 -3.648 14.709 -3.117 388 HA2 GLY 582 HA2 GLY 582 -2.750 16.012 -5.467 389 HA3 GLY 582 HA3 GLY 582 -3.935 16.594 -4.315 390 H SER 583 H SER 583 -0.361 15.886 -4.254 391 HA SER 583 HA SER 583 0.643 18.309 -4.236 392 HB2 SER 583 HB2 SER 583 0.856 18.627 -1.561 393 HB3 SER 583 HB3 SER 583 -0.411 19.385 -2.504 394 HG SER 583 HG SER 583 -0.885 16.742 -1.538 395 H ALA 584 H ALA 584 0.477 15.116 -2.764 396 HA ALA 584 HA ALA 584 3.325 15.177 -2.127 397 HB1 ALA 584 HB1 ALA 584 0.973 13.872 -1.073 398 HB2 ALA 584 HB2 ALA 584 2.159 12.643 -1.575 399 HB3 ALA 584 HB3 ALA 584 2.626 13.907 -0.412 400 H SER 585 H SER 585 4.849 13.896 -3.204 401 HA SER 585 HA SER 585 3.830 12.763 -5.682 402 HB2 SER 585 HB2 SER 585 5.742 14.631 -5.447 403 HB3 SER 585 HB3 SER 585 6.767 13.232 -5.195 404 HG SER 585 HG SER 585 5.481 14.124 -7.532 405 H GLN 586 H GLN 586 4.698 11.878 -2.570 406 HA GLN 586 HA GLN 586 5.142 9.182 -3.433 407 HB2 GLN 586 HB2 GLN 586 7.245 10.818 -2.010 408 HB3 GLN 586 HB3 GLN 586 7.117 9.107 -1.652 409 HG2 GLN 586 HG2 GLN 586 7.303 8.604 -4.115 410 HG3 GLN 586 HG3 GLN 586 7.500 10.316 -4.432 411 HE21 GLN 586 HE12 GLN 586 9.030 7.426 -3.764 412 HE22 GLN 586 HE22 GLN 586 10.616 7.994 -3.359 413 H LEU 587 H LEU 587 4.337 7.676 -1.929 414 HA LEU 587 HA LEU 587 3.571 8.746 0.682 415 HB2 LEU 587 HB2 LEU 587 1.538 9.011 -0.326 416 HB3 LEU 587 HB3 LEU 587 1.781 7.687 -1.448 417 HG LEU 587 HG LEU 587 1.654 6.721 1.293 418 HD11 LEU 587 HD11 LEU 587 -0.965 7.864 0.394 419 HD12 LEU 587 HD12 LEU 587 -0.413 7.408 2.023 420 HD13 LEU 587 HD13 LEU 587 0.192 8.900 1.263 421 HD21 LEU 587 HD21 LEU 587 1.054 5.834 -1.284 422 HD22 LEU 587 HD22 LEU 587 0.800 4.958 0.245 423 HD23 LEU 587 HD23 LEU 587 -0.519 5.926 -0.456 424 H GLU 588 H GLU 588 3.670 7.239 2.372 425 HA GLU 588 HA GLU 588 4.931 4.744 1.564 426 HB2 GLU 588 HB2 GLU 588 5.756 4.683 3.952 427 HB3 GLU 588 HB3 GLU 588 6.354 6.041 3.021 428 HG2 GLU 588 HG2 GLU 588 3.788 6.460 4.531 429 HG3 GLU 588 HG3 GLU 588 5.252 6.326 5.485 430 HE2 GLU 588 HE GLU 588 5.287 9.074 2.592 431 H ALA 589 H ALA 589 4.163 2.726 2.366 432 HA ALA 589 HA ALA 589 1.703 2.854 3.948 433 HB1 ALA 589 HB1 ALA 589 1.467 2.593 1.315 434 HB2 ALA 589 HB2 ALA 589 1.909 0.906 1.667 435 HB3 ALA 589 HB3 ALA 589 0.466 1.624 2.422 436 H ALA 590 H ALA 590 1.372 1.024 5.309 437 HA ALA 590 HA ALA 590 3.647 -0.836 5.371 438 HB1 ALA 590 HB1 ALA 590 3.733 -0.673 7.748 439 HB2 ALA 590 HB2 ALA 590 3.650 1.004 7.158 440 HB3 ALA 590 HB3 ALA 590 2.195 0.221 7.819 441 H PHE 591 H PHE 591 3.066 -2.916 6.565 442 HA PHE 591 HA PHE 591 0.220 -3.508 6.159 443 HB2 PHE 591 HB2 PHE 591 2.795 -4.771 5.226 444 HB3 PHE 591 HB3 PHE 591 1.587 -5.905 5.798 445 HD1 PHE 591 HD1 PHE 591 -0.901 -4.551 4.870 446 HD2 PHE 591 HD2 PHE 591 2.823 -5.136 2.922 447 HE1 PHE 591 HE1 PHE 591 -2.051 -4.452 2.641 448 HE2 PHE 591 HE2 PHE 591 1.673 -5.037 0.693 449 HZ PHE 591 HZ PHE 591 -0.750 -4.696 0.579 450 H ASN 592 H ASN 592 -0.804 -4.357 7.918 451 HA ASN 592 HA ASN 592 0.830 -5.784 9.830 452 HB2 ASN 592 HB2 ASN 592 -0.104 -4.531 11.736 453 HB3 ASN 592 HB3 ASN 592 0.661 -3.400 10.637 454 HD21 ASN 592 HD21 ASN 592 -0.604 -2.116 9.254 455 HD22 ASN 592 HD22 ASN 592 -2.264 -1.754 9.592 456 H ASP 593 H ASP 593 -0.349 -7.543 10.731 457 HA ASP 593 HA ASP 593 -2.746 -8.216 9.477 458 HB2 ASP 593 HB2 ASP 593 -1.863 -9.425 12.112 459 HB3 ASP 593 HB3 ASP 593 -2.636 -10.220 10.755 460 HD2 ASP 593 HD ASP 593 -1.082 -11.731 10.772 461 H GLY 594 H GLY 594 -1.941 -6.195 12.177 462 HA2 GLY 594 HA2 GLY 594 -3.447 -4.835 13.288 463 HA3 GLY 594 HA3 GLY 594 -4.762 -5.918 12.878 464 H ASN 595 H ASN 595 -1.858 -7.497 14.006 465 HA ASN 595 HA ASN 595 -2.870 -7.505 16.720 466 HB2 ASN 595 HB2 ASN 595 -2.717 -9.831 14.840 467 HB3 ASN 595 HB3 ASN 595 -2.052 -10.136 16.433 468 HD21 ASN 595 HD21 ASN 595 -4.238 -11.492 15.553 469 HD22 ASN 595 HD22 ASN 595 -5.658 -11.033 16.432 470 H ASN 596 H ASN 596 -0.821 -5.997 16.576 471 HA ASN 596 HA ASN 596 1.298 -5.603 16.862 472 HB2 ASN 596 HB2 ASN 596 1.165 -8.338 18.234 473 HB3 ASN 596 HB3 ASN 596 2.551 -7.272 18.363 474 HD21 ASN 596 HD21 ASN 596 2.595 -6.253 20.203 475 HD22 ASN 596 HD22 ASN 596 1.257 -5.571 21.066 476 H ASN 597 H ASN 597 0.453 -7.177 14.402 477 HA ASN 597 HA ASN 597 2.975 -8.559 13.919 478 HB2 ASN 597 HB2 ASN 597 0.151 -9.008 12.878 479 HB3 ASN 597 HB3 ASN 597 1.519 -9.563 11.933 480 HD21 ASN 597 HD21 ASN 597 -0.719 -10.724 13.769 481 HD22 ASN 597 HD22 ASN 597 0.092 -11.942 14.696 482 H TRP 598 H TRP 598 3.856 -6.332 13.391 483 HA TRP 598 HA TRP 598 2.708 -5.091 11.022 484 HB2 TRP 598 HB2 TRP 598 4.809 -4.243 13.013 485 HB3 TRP 598 HB3 TRP 598 4.516 -3.369 11.522 486 HD1 TRP 598 HD TRP 598 2.567 -4.362 14.748 487 HE1 TRP 598 HE1 TRP 598 0.674 -2.599 15.271 488 HE3 TRP 598 HE3 TRP 598 3.231 -1.613 10.522 489 HZ2 TRP 598 HZ2 TRP 598 -0.311 -0.304 13.890 490 HZ3 TRP 598 HZ3 TRP 598 1.762 0.373 10.186 491 HH2 TRP 598 HH TRP 598 0.039 1.042 11.786 492 H ASP 599 H ASP 599 4.070 -4.672 9.121 493 HA ASP 599 HA ASP 599 6.451 -6.323 9.022 494 HB2 ASP 599 HB2 ASP 599 4.231 -7.368 7.989 495 HB3 ASP 599 HB3 ASP 599 4.542 -6.258 6.670 496 HD2 ASP 599 HD ASP 599 4.532 -8.923 6.340 497 H SER 600 H SER 600 7.081 -3.853 9.318 498 HA SER 600 HA SER 600 6.561 -1.967 7.439 499 HB2 SER 600 HB2 SER 600 8.771 -2.479 9.391 500 HB3 SER 600 HB3 SER 600 9.116 -1.308 8.134 501 HG SER 600 HG SER 600 6.590 -0.979 9.313 502 H ASN 601 H ASN 601 9.985 -2.934 7.530 503 HA ASN 601 HA ASN 601 9.969 -4.341 5.119 504 HB2 ASN 601 HB2 ASN 601 11.453 -2.376 4.001 505 HB3 ASN 601 HB3 ASN 601 9.718 -2.454 3.771 506 HD21 ASN 601 HD21 ASN 601 11.932 -0.307 4.104 507 HD22 ASN 601 HD22 ASN 601 11.227 0.871 5.160 508 H ASN 602 H ASN 602 12.391 -1.776 5.627 509 HA ASN 602 HA ASN 602 14.074 -3.719 6.999 510 HB2 ASN 602 HB2 ASN 602 14.480 -2.447 4.411 511 HB3 ASN 602 HB3 ASN 602 15.723 -1.884 5.511 512 HD21 ASN 602 HD21 ASN 602 17.418 -3.112 5.887 513 HD22 ASN 602 HD22 ASN 602 17.601 -4.784 5.473 514 H THR 603 H THR 603 12.369 -0.897 7.244 515 HA THR 603 HA THR 603 13.948 0.080 9.416 516 HB THR 603 HB THR 603 14.117 1.317 6.695 517 HG1 THR 603 HG1 THR 603 15.554 1.539 9.246 518 HG21 THR 603 HG21 THR 603 12.989 3.217 7.541 519 HG22 THR 603 HG22 THR 603 13.473 2.874 9.219 520 HG23 THR 603 HG23 THR 603 14.659 3.536 8.068 521 H LYS 604 H LYS 604 11.623 1.631 7.111 522 HA LYS 604 HA LYS 604 9.677 1.576 9.304 523 HB2 LYS 604 HB2 LYS 604 10.451 3.778 9.447 524 HB3 LYS 604 HB3 LYS 604 10.643 3.941 7.713 525 HG2 LYS 604 HG2 LYS 604 8.067 3.634 7.557 526 HG3 LYS 604 HG3 LYS 604 8.040 3.867 9.294 527 HD2 LYS 604 HD2 LYS 604 9.422 5.860 7.453 528 HD3 LYS 604 HD3 LYS 604 7.703 5.962 7.777 529 HE2 LYS 604 HE2 LYS 604 8.008 6.542 10.024 530 HE3 LYS 604 HE3 LYS 604 9.533 5.689 10.153 531 HZ2 LYS 604 HZ2 LYS 604 9.440 7.997 8.350 532 HZ3 LYS 604 HZ3 LYS 604 9.457 8.303 9.949 533 H ASN 605 H ASN 605 9.750 2.830 5.901 534 HA ASN 605 HA ASN 605 8.106 0.651 5.075 535 HB2 ASN 605 HB2 ASN 605 7.036 3.517 5.180 536 HB3 ASN 605 HB3 ASN 605 6.311 2.277 4.176 537 HD21 ASN 605 HD21 ASN 605 6.366 0.045 5.629 538 HD22 ASN 605 HD22 ASN 605 5.448 0.186 7.091 539 H TYR 606 H TYR 606 7.213 1.601 2.614 540 HA TYR 606 HA TYR 606 9.701 2.546 1.367 541 HB2 TYR 606 HB2 TYR 606 7.260 0.927 0.405 542 HB3 TYR 606 HB3 TYR 606 8.584 1.380 -0.650 543 HD1 TYR 606 HD1 TYR 606 10.996 0.807 0.808 544 HD2 TYR 606 HD2 TYR 606 7.304 -1.355 0.805 545 HE1 TYR 606 HE1 TYR 606 12.232 -1.318 1.457 546 HE2 TYR 606 HE2 TYR 606 8.552 -3.473 1.454 547 HH TYR 606 HH TYR 606 12.043 -3.567 1.492 548 H LEU 607 H LEU 607 9.394 3.856 -0.670 549 HA LEU 607 HA LEU 607 7.148 5.694 -0.253 550 HB2 LEU 607 HB2 LEU 607 9.889 6.065 -1.454 551 HB3 LEU 607 HB3 LEU 607 8.604 7.244 -1.634 552 HG LEU 607 HG LEU 607 9.280 6.355 1.137 553 HD11 LEU 607 HD11 LEU 607 11.184 7.757 1.351 554 HD12 LEU 607 HD12 LEU 607 11.470 6.711 -0.060 555 HD13 LEU 607 HD13 LEU 607 10.980 8.406 -0.294 556 HD21 LEU 607 HD21 LEU 607 8.584 8.525 1.753 557 HD22 LEU 607 HD22 LEU 607 8.717 9.130 0.085 558 HD23 LEU 607 HD23 LEU 607 7.430 7.978 0.513 559 H PHE 608 H PHE 608 5.499 5.647 -1.678 560 HA PHE 608 HA PHE 608 6.076 4.443 -4.294 561 HB2 PHE 608 HB2 PHE 608 3.412 4.618 -2.775 562 HB3 PHE 608 HB3 PHE 608 3.747 3.614 -4.172 563 HD1 PHE 608 HD1 PHE 608 6.448 2.552 -3.254 564 HD2 PHE 608 HD2 PHE 608 2.730 2.953 -1.249 565 HE1 PHE 608 HE1 PHE 608 7.060 0.647 -1.739 566 HE2 PHE 608 HE2 PHE 608 3.342 1.049 0.267 567 HZ PHE 608 HZ PHE 608 5.499 -0.082 0.004 568 H SER 609 H SER 609 5.190 5.433 -6.160 569 HA SER 609 HA SER 609 4.156 8.106 -5.624 570 HB2 SER 609 HB2 SER 609 6.389 7.956 -6.798 571 HB3 SER 609 HB3 SER 609 5.605 7.109 -8.117 572 HG SER 609 HG SER 609 5.155 9.825 -7.240 573 H THR 610 H THR 610 2.707 8.941 -7.539 574 HA THR 610 HA THR 610 0.464 7.331 -7.728 575 HB THR 610 HB THR 610 -0.167 9.034 -9.514 576 HG1 THR 610 HG1 THR 610 1.976 9.288 -10.409 577 HG21 THR 610 HG21 THR 610 -0.514 9.802 -7.221 578 HG22 THR 610 HG22 THR 610 1.232 10.058 -6.992 579 HG23 THR 610 HG23 THR 610 0.315 11.114 -8.093 580 H GLY 611 H GLY 611 -0.582 6.460 -9.730 581 HA2 GLY 611 HA2 GLY 611 -0.195 5.632 -11.967 582 HA3 GLY 611 HA3 GLY 611 1.443 5.224 -11.496 583 H THR 612 H THR 612 1.353 2.985 -11.861 584 HA THR 612 HA THR 612 -0.602 1.534 -10.198 585 HB THR 612 HB THR 612 0.766 0.396 -12.660 586 HG1 THR 612 HG1 THR 612 -0.832 1.513 -13.886 587 HG21 THR 612 HG21 THR 612 -0.674 -1.162 -11.435 588 HG22 THR 612 HG22 THR 612 -1.958 0.063 -11.303 589 HG23 THR 612 HG23 THR 612 -1.559 -0.641 -12.889 590 H SER 613 H SER 613 0.142 0.308 -8.580 591 HA SER 613 HA SER 613 2.883 -0.607 -8.797 592 HB2 SER 613 HB2 SER 613 1.763 0.742 -6.301 593 HB3 SER 613 HB3 SER 613 3.373 0.071 -6.474 594 HG SER 613 HG SER 613 3.723 2.192 -6.924 595 H THR 614 H THR 614 3.343 -2.426 -7.221 596 HA THR 614 HA THR 614 0.891 -3.705 -6.238 597 HB THR 614 HB THR 614 3.086 -5.206 -7.735 598 HG1 THR 614 HG1 THR 614 2.213 -3.885 -9.339 599 HG21 THR 614 HG21 THR 614 0.965 -6.633 -8.262 600 HG22 THR 614 HG22 THR 614 1.618 -6.745 -6.610 601 HG23 THR 614 HG23 THR 614 0.189 -5.735 -6.936 602 H TYR 615 H TYR 615 1.033 -4.202 -4.148 603 HA TYR 615 HA TYR 615 3.706 -4.212 -2.970 604 HB2 TYR 615 HB2 TYR 615 1.340 -2.976 -2.312 605 HB3 TYR 615 HB3 TYR 615 1.070 -4.495 -1.481 606 HD1 TYR 615 HD2 TYR 615 4.335 -4.597 -1.081 607 HD2 TYR 615 HD1 TYR 615 1.153 -1.944 -0.010 608 HE1 TYR 615 HE2 TYR 615 5.693 -3.754 0.896 609 HE2 TYR 615 HE1 TYR 615 2.522 -1.111 1.963 610 HH TYR 615 HH TYR 615 4.755 -2.558 3.344 611 H THR 616 H THR 616 4.707 -6.094 -2.471 612 HA THR 616 HA THR 616 3.000 -8.405 -1.858 613 HB THR 616 HB THR 616 5.404 -8.290 -3.755 614 HG1 THR 616 HG1 THR 616 2.524 -8.826 -3.895 615 HG21 THR 616 HG21 THR 616 4.221 -10.729 -4.139 616 HG22 THR 616 HG22 THR 616 5.621 -10.499 -3.065 617 HG23 THR 616 HG23 THR 616 3.976 -10.548 -2.385 618 HA PRO 617 HA PRO 617 5.636 -8.455 1.568 619 HB2 PRO 617 HB2 PRO 617 4.502 -10.576 2.867 620 HB3 PRO 617 HB3 PRO 617 3.892 -8.938 2.992 621 HG2 PRO 617 HG2 PRO 617 2.784 -11.218 1.472 622 HG3 PRO 617 HG3 PRO 617 1.991 -9.731 1.953 623 HD2 PRO 617 HD2 PRO 617 2.970 -10.386 -0.663 624 HD3 PRO 617 HD3 PRO 617 2.283 -8.856 -0.153 625 H GLY 618 H GLY 618 4.976 -11.346 -0.284 626 HA2 GLY 618 HA2 GLY 618 6.396 -12.926 -1.036 627 HA3 GLY 618 HA3 GLY 618 7.742 -11.917 -0.546 628 H SER 619 H SER 619 7.889 -14.699 -0.240 629 HA SER 619 HA SER 619 7.746 -14.891 2.665 630 HB2 SER 619 HB2 SER 619 6.227 -16.418 0.896 631 HB3 SER 619 HB3 SER 619 7.593 -17.467 1.217 632 HG SER 619 HG SER 619 7.166 -17.006 3.570 633 H ASN 620 H ASN 620 9.286 -15.937 -0.426 634 HA ASN 620 HA ASN 620 11.343 -17.381 0.700 635 HB2 ASN 620 HB2 ASN 620 11.613 -15.681 -1.824 636 HB3 ASN 620 HB3 ASN 620 12.410 -17.203 -1.477 637 HD21 ASN 620 HD21 ASN 620 11.648 -18.823 -2.580 638 HD22 ASN 620 HD22 ASN 620 10.005 -19.102 -3.053 639 H GLY 621 H GLY 621 13.370 -15.571 -1.001 640 HA2 GLY 621 HA2 GLY 621 14.353 -14.095 1.287 641 HA3 GLY 621 HA3 GLY 621 15.131 -14.312 -0.268 642 H ALA 622 H ALA 622 11.767 -13.140 0.308 643 HA ALA 622 HA ALA 622 12.628 -10.537 -0.759 644 HB1 ALA 622 HB1 ALA 622 11.396 -11.418 -2.528 645 HB2 ALA 622 HB2 ALA 622 10.313 -12.337 -1.455 646 HB3 ALA 622 HB3 ALA 622 10.128 -10.573 -1.608 647 H ALA 623 H ALA 623 12.696 -9.236 1.029 648 HA ALA 623 HA ALA 623 10.548 -9.544 2.990 649 HB1 ALA 623 HB1 ALA 623 12.588 -9.583 4.118 650 HB2 ALA 623 HB2 ALA 623 13.346 -8.420 3.004 651 HB3 ALA 623 HB3 ALA 623 12.165 -7.856 4.210 652 H GLY 624 H GLY 624 8.772 -8.470 2.139 653 HA2 GLY 624 HA2 GLY 624 7.504 -6.753 1.435 654 HA3 GLY 624 HA3 GLY 624 8.578 -5.730 2.367 655 H THR 625 H THR 625 7.472 -6.550 -0.781 656 HA THR 625 HA THR 625 9.399 -4.689 -1.931 657 HB THR 625 HB THR 625 9.810 -6.324 -3.815 658 HG1 THR 625 HG1 THR 625 7.963 -7.672 -3.560 659 HG21 THR 625 HG21 THR 625 11.435 -6.325 -1.898 660 HG22 THR 625 HG22 THR 625 10.399 -7.492 -1.043 661 HG23 THR 625 HG23 THR 625 11.204 -7.961 -2.560 662 H ILE 626 H ILE 626 8.651 -3.586 -3.781 663 HA ILE 626 HA ILE 626 5.806 -4.062 -4.335 664 HB ILE 626 HB ILE 626 6.856 -1.307 -4.567 665 HG12 ILE 626 HG11 ILE 626 6.154 -1.162 -1.989 666 HG13 ILE 626 HG12 ILE 626 6.781 -2.798 -1.981 667 HG21 ILE 626 HG21 ILE 626 4.508 -2.055 -5.091 668 HG22 ILE 626 HG22 ILE 626 4.290 -2.347 -3.348 669 HG23 ILE 626 HG23 ILE 626 4.645 -0.705 -3.938 670 HD11 ILE 626 HD11 ILE 626 8.387 -0.602 -3.310 671 HD12 ILE 626 HD12 ILE 626 8.421 -0.783 -1.540 672 HD13 ILE 626 HD13 ILE 626 8.956 -2.124 -2.582 673 H ARG 627 H ARG 627 5.295 -4.330 -6.459 674 HA ARG 627 HA ARG 627 7.469 -3.777 -8.312 675 HB2 ARG 627 HB2 ARG 627 5.937 -6.144 -7.863 676 HB3 ARG 627 HB3 ARG 627 5.381 -5.515 -9.401 677 HG2 ARG 627 HG2 ARG 627 8.322 -5.395 -9.126 678 HG3 ARG 627 HG3 ARG 627 7.702 -7.028 -8.987 679 HD2 ARG 627 HD1 ARG 627 6.247 -5.969 -11.149 680 HD3 ARG 627 HD2 ARG 627 7.843 -5.278 -11.361 681 HE ARG 627 HE ARG 627 8.623 -7.391 -11.961 682 HH11 ARG 627 HH22 ARG 627 5.672 -7.804 -10.043 683 HH12 ARG 627 HH21 ARG 627 5.626 -9.523 -10.256 684 HH22 ARG 627 HH1 ARG 627 7.336 -10.591 -11.552 685 H THR 628 H THR 628 7.100 -2.153 -9.798 686 HA THR 628 HA THR 628 4.523 -0.897 -9.872 687 HB THR 628 HB THR 628 6.426 -0.022 -11.908 688 HG1 THR 628 HG1 THR 628 8.179 0.289 -10.338 689 HG21 THR 628 HG21 THR 628 5.107 1.043 -9.427 690 HG22 THR 628 HG22 THR 628 6.643 1.811 -9.896 691 HG23 THR 628 HG23 THR 628 5.271 1.798 -11.030 692 H GLY 629 H GLY 629 3.095 -0.686 -11.630 693 HA2 GLY 629 HA2 GLY 629 2.586 -1.170 -13.921 694 HA3 GLY 629 HA3 GLY 629 3.523 -2.646 -13.799 695 H ALA 630 H ALA 630 0.548 -1.992 -14.415 696 HA ALA 630 HA ALA 630 -1.029 -2.921 -12.317 697 HB1 ALA 630 HB1 ALA 630 -1.609 -1.737 -14.576 698 HB2 ALA 630 HB2 ALA 630 -1.674 -3.391 -15.232 699 HB3 ALA 630 HB3 ALA 630 -2.758 -2.918 -13.902 700 HA PRO 631 HA PRO 631 0.233 -7.110 -12.450 701 HB2 PRO 631 HB2 PRO 631 -1.119 -7.941 -10.225 702 HB3 PRO 631 HB3 PRO 631 0.474 -7.212 -10.162 703 HG2 PRO 631 HG2 PRO 631 -2.138 -6.022 -9.454 704 HG3 PRO 631 HG3 PRO 631 -0.530 -5.485 -9.009 705 HD2 PRO 631 HD2 PRO 631 -2.229 -4.336 -11.014 706 HD3 PRO 631 HD3 PRO 631 -0.579 -3.874 -10.649 707 H SER 632 H SER 632 -0.593 -9.247 -12.865 708 HA SER 632 HA SER 632 -3.431 -9.216 -13.397 709 HB2 SER 632 HB2 SER 632 -2.996 -10.277 -15.676 710 HB3 SER 632 HB3 SER 632 -2.626 -8.568 -15.556 711 HG SER 632 HG SER 632 -0.373 -9.107 -15.286 712 H GLY 633 H GLY 633 -3.463 -10.677 -11.539 713 HA2 GLY 633 HA2 GLY 633 -3.764 -12.824 -10.834 714 HA3 GLY 633 HA3 GLY 633 -3.006 -13.427 -12.294 Start of MODEL 2 1 H1 GLY 530 H GLY 530 0.478 21.766 -3.894 2 HA2 GLY 530 HA2 GLY 530 1.470 22.389 -6.053 3 HA3 GLY 530 HA3 GLY 530 1.140 20.671 -5.945 4 H GLY 531 H GLY 531 -0.763 19.767 -7.015 5 HA2 GLY 531 HA2 GLY 531 -2.129 21.587 -8.878 6 HA3 GLY 531 HA3 GLY 531 -1.266 20.200 -9.513 7 H THR 532 H THR 532 -3.376 19.435 -10.334 8 HA THR 532 HA THR 532 -5.613 18.962 -8.824 9 HB THR 532 HB THR 532 -6.138 17.328 -10.607 10 HG1 THR 532 HG1 THR 532 -4.240 16.769 -12.000 11 HG21 THR 532 HG21 THR 532 -6.062 18.805 -12.389 12 HG22 THR 532 HG22 THR 532 -5.507 19.955 -11.149 13 HG23 THR 532 HG23 THR 532 -4.322 19.114 -12.177 14 H THR 533 H THR 533 -6.435 17.307 -7.543 15 HA THR 533 HA THR 533 -4.574 16.064 -5.855 16 HB THR 533 HB THR 533 -7.323 16.616 -5.914 17 HG1 THR 533 HG1 THR 533 -6.947 16.031 -3.759 18 HG21 THR 533 HG21 THR 533 -7.689 14.364 -7.052 19 HG22 THR 533 HG22 THR 533 -6.881 13.596 -5.664 20 HG23 THR 533 HG23 THR 533 -8.414 14.470 -5.430 21 H ASN 534 H ASN 534 -3.338 14.312 -6.063 22 HA ASN 534 HA ASN 534 -3.907 12.619 -8.336 23 HB2 ASN 534 HB2 ASN 534 -1.515 13.584 -7.057 24 HB3 ASN 534 HB3 ASN 534 -1.523 11.844 -6.850 25 HD21 ASN 534 HD21 ASN 534 0.133 13.637 -8.506 26 HD22 ASN 534 HD22 ASN 534 0.027 13.056 -10.135 27 H LYS 535 H LYS 535 -3.132 10.140 -7.771 28 HA LYS 535 HA LYS 535 -3.939 9.397 -5.086 29 HB2 LYS 535 HB2 LYS 535 -5.424 8.484 -7.565 30 HB3 LYS 535 HB3 LYS 535 -5.553 7.703 -6.002 31 HG2 LYS 535 HG2 LYS 535 -7.301 9.183 -5.740 32 HG3 LYS 535 HG3 LYS 535 -6.019 10.250 -5.203 33 HD2 LYS 535 HD2 LYS 535 -6.202 11.602 -7.041 34 HD3 LYS 535 HD3 LYS 535 -6.337 10.247 -8.144 35 HE2 LYS 535 HE2 LYS 535 -8.758 9.976 -7.062 36 HE3 LYS 535 HE3 LYS 535 -8.528 11.650 -6.594 37 HZ2 LYS 535 HZ2 LYS 535 -8.306 12.282 -8.863 38 HZ3 LYS 535 HZ3 LYS 535 -8.131 10.752 -9.391 39 H VAL 536 H VAL 536 -3.308 7.172 -4.554 40 HA VAL 536 HA VAL 536 -1.276 6.165 -6.425 41 HB VAL 536 HB VAL 536 0.027 5.482 -4.481 42 HG11 VAL 536 HG11 VAL 536 0.994 7.446 -4.980 43 HG12 VAL 536 HG12 VAL 536 -0.571 8.271 -5.175 44 HG13 VAL 536 HG13 VAL 536 0.140 8.082 -3.554 45 HG21 VAL 536 HG21 VAL 536 -2.347 6.539 -2.993 46 HG22 VAL 536 HG22 VAL 536 -1.338 5.107 -2.674 47 HG23 VAL 536 HG23 VAL 536 -0.735 6.730 -2.263 48 H THR 537 H THR 537 -1.971 4.292 -7.307 49 HA THR 537 HA THR 537 -3.747 2.614 -5.673 50 HB THR 537 HB THR 537 -3.269 2.885 -8.685 51 HG1 THR 537 HG1 THR 537 -4.981 4.237 -8.329 52 HG21 THR 537 HG21 THR 537 -5.656 1.418 -7.993 53 HG22 THR 537 HG22 THR 537 -4.279 0.857 -8.971 54 HG23 THR 537 HG23 THR 537 -4.278 0.610 -7.208 55 H VAL 538 H VAL 538 -2.969 0.843 -4.732 56 HA VAL 538 HA VAL 538 -0.630 -0.398 -6.002 57 HB VAL 538 HB VAL 538 -1.032 -0.368 -3.029 58 HG11 VAL 538 HG11 VAL 538 1.633 -0.295 -3.439 59 HG12 VAL 538 HG12 VAL 538 0.691 -1.805 -3.393 60 HG13 VAL 538 HG13 VAL 538 1.121 -1.071 -4.957 61 HG21 VAL 538 HG21 VAL 538 -0.304 1.930 -4.725 62 HG22 VAL 538 HG22 VAL 538 -0.853 1.877 -3.033 63 HG23 VAL 538 HG23 VAL 538 0.859 1.583 -3.423 64 H TYR 539 H TYR 539 -0.826 -2.567 -6.374 65 HA TYR 539 HA TYR 539 -3.253 -3.823 -5.297 66 HB2 TYR 539 HB2 TYR 539 -1.620 -3.827 -7.830 67 HB3 TYR 539 HB3 TYR 539 -2.185 -5.413 -7.343 68 HD1 TYR 539 HD2 TYR 539 -3.667 -1.956 -7.470 69 HD2 TYR 539 HD1 TYR 539 -4.099 -6.100 -8.440 70 HE1 TYR 539 HE2 TYR 539 -5.931 -1.480 -8.525 71 HE2 TYR 539 HE1 TYR 539 -6.362 -5.611 -9.492 72 HH TYR 539 HH TYR 539 -7.607 -2.285 -9.621 73 H TYR 540 H TYR 540 -3.041 -5.414 -3.804 74 HA TYR 540 HA TYR 540 -0.374 -6.632 -3.556 75 HB2 TYR 540 HB2 TYR 540 -1.046 -5.300 -1.591 76 HB3 TYR 540 HB3 TYR 540 -2.681 -5.928 -1.653 77 HD1 TYR 540 HD2 TYR 540 0.852 -7.037 -1.094 78 HD2 TYR 540 HD1 TYR 540 -3.292 -7.727 -0.284 79 HE1 TYR 540 HE2 TYR 540 1.473 -8.839 0.588 80 HE2 TYR 540 HE1 TYR 540 -2.657 -9.527 1.395 81 HH TYR 540 HH TYR 540 -0.814 -11.016 1.824 82 H LYS 541 H LYS 541 -0.188 -8.871 -3.484 83 HA LYS 541 HA LYS 541 -2.533 -10.301 -4.383 84 HB2 LYS 541 HB2 LYS 541 -0.300 -10.571 -5.461 85 HB3 LYS 541 HB3 LYS 541 0.312 -11.266 -3.974 86 HG2 LYS 541 HG2 LYS 541 -0.982 -13.219 -4.180 87 HG3 LYS 541 HG3 LYS 541 -2.211 -12.434 -5.151 88 HD2 LYS 541 HD2 LYS 541 -0.603 -12.288 -7.066 89 HD3 LYS 541 HD3 LYS 541 0.624 -13.077 -6.095 90 HE2 LYS 541 HE2 LYS 541 -0.681 -15.131 -5.963 91 HE3 LYS 541 HE3 LYS 541 -2.090 -14.353 -6.654 92 HZ2 LYS 541 HZ2 LYS 541 0.076 -14.016 -8.424 93 HZ3 LYS 541 HZ3 LYS 541 -0.008 -15.596 -8.038 94 H LYS 542 H LYS 542 -3.973 -11.063 -2.937 95 HA LYS 542 HA LYS 542 -3.120 -11.478 -0.212 96 HB2 LYS 542 HB2 LYS 542 -5.170 -10.466 -0.186 97 HB3 LYS 542 HB3 LYS 542 -5.706 -11.230 -1.669 98 HG2 LYS 542 HG2 LYS 542 -6.505 -13.105 -0.584 99 HG3 LYS 542 HG3 LYS 542 -5.208 -13.111 0.595 100 HD2 LYS 542 HD2 LYS 542 -7.412 -12.587 1.643 101 HD3 LYS 542 HD3 LYS 542 -6.264 -11.279 1.851 102 HE2 LYS 542 HE2 LYS 542 -7.471 -9.828 0.536 103 HE3 LYS 542 HE3 LYS 542 -7.876 -11.065 -0.637 104 HZ2 LYS 542 HZ2 LYS 542 -9.294 -10.374 1.834 105 HZ3 LYS 542 HZ3 LYS 542 -9.909 -10.725 0.368 106 H GLY 543 H GLY 543 -2.963 -14.926 0.099 107 HA2 GLY 543 HA2 GLY 543 -1.836 -12.709 1.090 108 HA3 GLY 543 HA3 GLY 543 -3.538 -12.334 1.269 109 H PHE 544 H PHE 544 -4.022 -12.601 3.418 110 HA PHE 544 HA PHE 544 -3.181 -15.149 4.613 111 HB2 PHE 544 HB2 PHE 544 -3.280 -12.257 5.527 112 HB3 PHE 544 HB3 PHE 544 -3.646 -13.472 6.736 113 HD1 PHE 544 HD2 PHE 544 -1.829 -15.601 6.372 114 HD2 PHE 544 HD1 PHE 544 -1.137 -11.461 5.747 115 HE1 PHE 544 HE2 PHE 544 0.625 -15.953 6.761 116 HE2 PHE 544 HE1 PHE 544 1.317 -11.813 6.135 117 HZ PHE 544 HZ PHE 544 2.169 -14.054 6.638 118 H ASN 545 H ASN 545 -5.394 -12.569 5.816 119 HA ASN 545 HA ASN 545 -7.661 -14.211 5.210 120 HB2 ASN 545 HB2 ASN 545 -8.421 -14.065 7.685 121 HB3 ASN 545 HB3 ASN 545 -7.159 -15.228 7.331 122 HD21 ASN 545 HD21 ASN 545 -5.050 -14.860 7.961 123 HD22 ASN 545 HD22 ASN 545 -4.600 -13.668 9.134 124 H SER 546 H SER 546 -6.295 -11.421 7.098 125 HA SER 546 HA SER 546 -7.962 -9.614 5.718 126 HB2 SER 546 HB2 SER 546 -9.102 -8.724 7.811 127 HB3 SER 546 HB3 SER 546 -9.694 -10.272 7.243 128 HG SER 546 HG SER 546 -9.362 -10.796 9.317 129 HA PRO 547 HA PRO 547 -4.059 -8.142 7.637 130 HB2 PRO 547 HB2 PRO 547 -2.570 -7.798 5.371 131 HB3 PRO 547 HB3 PRO 547 -2.481 -9.237 6.367 132 HG2 PRO 547 HG2 PRO 547 -3.793 -8.878 3.743 133 HG3 PRO 547 HG3 PRO 547 -3.327 -10.366 4.542 134 HD2 PRO 547 HD2 PRO 547 -5.975 -9.281 4.344 135 HD3 PRO 547 HD3 PRO 547 -5.490 -10.707 5.241 136 H TYR 548 H TYR 548 -3.352 -6.025 7.946 137 HA TYR 548 HA TYR 548 -4.943 -4.150 6.331 138 HB2 TYR 548 HB2 TYR 548 -4.094 -4.462 9.224 139 HB3 TYR 548 HB3 TYR 548 -4.137 -2.817 8.621 140 HD1 TYR 548 HD2 TYR 548 -6.172 -5.801 9.382 141 HD2 TYR 548 HD1 TYR 548 -6.238 -1.712 8.125 142 HE1 TYR 548 HE2 TYR 548 -8.678 -5.706 9.797 143 HE2 TYR 548 HE1 TYR 548 -8.744 -1.630 8.546 144 HH TYR 548 HH TYR 548 -10.625 -4.130 8.700 145 H ILE 549 H ILE 549 -3.947 -2.044 5.858 146 HA ILE 549 HA ILE 549 -1.017 -2.155 5.955 147 HB ILE 549 HB ILE 549 -0.776 -1.645 3.745 148 HG12 ILE 549 HG11 ILE 549 -2.340 0.326 3.863 149 HG13 ILE 549 HG12 ILE 549 -2.304 -0.522 2.330 150 HG21 ILE 549 HG21 ILE 549 -3.220 -3.400 3.993 151 HG22 ILE 549 HG22 ILE 549 -2.423 -3.081 2.434 152 HG23 ILE 549 HG23 ILE 549 -1.523 -3.876 3.748 153 HD11 ILE 549 HD11 ILE 549 -4.531 -0.884 2.466 154 HD12 ILE 549 HD12 ILE 549 -4.296 -1.794 3.978 155 HD13 ILE 549 HD13 ILE 549 -4.566 -0.036 4.031 156 H HIS 550 H HIS 550 0.020 -0.211 6.432 157 HA HIS 550 HA HIS 550 -1.801 2.027 6.947 158 HB2 HIS 550 HB2 HIS 550 -0.869 0.728 8.973 159 HB3 HIS 550 HB3 HIS 550 0.673 1.459 8.578 160 HD1 HIS 550 HD1 HIS 550 -1.885 3.878 7.748 161 HD2 HIS 550 HE2 HIS 550 0.012 2.639 11.278 162 HE1 HIS 550 HE1 HIS 550 -2.271 5.734 9.456 163 H TYR 551 H TYR 551 -1.403 3.654 5.542 164 HA TYR 551 HA TYR 551 1.408 4.095 4.793 165 HB2 TYR 551 HB2 TYR 551 -0.065 5.047 2.675 166 HB3 TYR 551 HB3 TYR 551 0.489 3.386 2.740 167 HD1 TYR 551 HD1 TYR 551 -2.382 5.337 4.194 168 HD2 TYR 551 HD2 TYR 551 -1.097 1.828 2.110 169 HE1 TYR 551 HE1 TYR 551 -4.788 4.523 4.066 170 HE2 TYR 551 HE2 TYR 551 -3.507 1.026 1.990 171 HH TYR 551 HH TYR 551 -5.827 2.293 2.006 172 H ARG 552 H ARG 552 1.862 6.369 4.086 173 HA ARG 552 HA ARG 552 -0.091 8.270 4.992 174 HB2 ARG 552 HB2 ARG 552 0.944 8.605 6.998 175 HB3 ARG 552 HB3 ARG 552 2.266 7.542 6.558 176 HG2 ARG 552 HG2 ARG 552 3.471 9.336 5.461 177 HG3 ARG 552 HG3 ARG 552 2.079 10.399 5.514 178 HD2 ARG 552 HD2 ARG 552 3.193 11.225 7.370 179 HD3 ARG 552 HD3 ARG 552 2.296 9.950 8.170 180 HE ARG 552 HE ARG 552 4.499 8.563 7.497 181 HH11 ARG 552 HH22 ARG 552 4.271 11.851 8.798 182 HH12 ARG 552 HH21 ARG 552 5.812 11.780 9.585 183 HH22 ARG 552 HH1 ARG 552 7.125 9.782 9.417 184 HA PRO 553 HA PRO 553 1.738 10.445 1.681 185 HB2 PRO 553 HB2 PRO 553 0.810 12.976 2.131 186 HB3 PRO 553 HB3 PRO 553 -0.153 11.723 1.372 187 HG2 PRO 553 HG2 PRO 553 -0.337 12.793 4.122 188 HG3 PRO 553 HG3 PRO 553 -1.525 11.874 3.220 189 HD2 PRO 553 HD2 PRO 553 0.176 10.894 5.311 190 HD3 PRO 553 HD3 PRO 553 -0.928 9.951 4.330 191 H ALA 554 H ALA 554 3.506 11.652 0.975 192 HA ALA 554 HA ALA 554 5.381 12.070 3.101 193 HB1 ALA 554 HB1 ALA 554 5.526 12.578 0.101 194 HB2 ALA 554 HB2 ALA 554 6.904 12.631 1.226 195 HB3 ALA 554 HB3 ALA 554 6.046 11.098 0.941 196 H GLY 555 H GLY 555 3.651 13.681 4.068 197 HA2 GLY 555 HA2 GLY 555 4.509 16.094 4.472 198 HA3 GLY 555 HA3 GLY 555 3.911 16.339 2.843 199 H GLY 556 H GLY 556 2.521 14.170 5.376 200 HA2 GLY 556 HA2 GLY 556 0.257 16.017 5.692 201 HA3 GLY 556 HA3 GLY 556 -0.048 14.389 5.119 202 H SER 557 H SER 557 0.193 12.578 6.531 203 HA SER 557 HA SER 557 1.401 12.725 9.002 204 HB2 SER 557 HB2 SER 557 -0.388 14.293 9.627 205 HB3 SER 557 HB3 SER 557 -1.615 13.170 9.075 206 HG SER 557 HG SER 557 -1.126 13.227 11.464 207 H TRP 558 H TRP 558 0.029 10.860 10.517 208 HA TRP 558 HA TRP 558 -0.069 8.593 8.670 209 HB2 TRP 558 HB2 TRP 558 0.672 8.940 11.542 210 HB3 TRP 558 HB3 TRP 558 0.016 7.398 11.028 211 HD1 TRP 558 HD TRP 558 3.233 9.341 11.019 212 HE1 TRP 558 HE1 TRP 558 5.183 8.075 9.772 213 HE3 TRP 558 HE3 TRP 558 0.275 5.797 8.889 214 HZ2 TRP 558 HZ2 TRP 558 5.268 5.784 8.072 215 HZ3 TRP 558 HZ3 TRP 558 1.371 4.082 7.449 216 HH2 TRP 558 HH TRP 558 3.778 4.037 7.028 217 H THR 559 H THR 559 -1.960 7.402 8.421 218 HA THR 559 HA THR 559 -4.375 8.613 9.347 219 HB THR 559 HB THR 559 -3.826 5.966 7.902 220 HG1 THR 559 HG1 THR 559 -3.033 8.099 6.985 221 HG21 THR 559 HG21 THR 559 -6.302 7.680 8.356 222 HG22 THR 559 HG22 THR 559 -6.142 6.694 6.883 223 HG23 THR 559 HG23 THR 559 -6.143 5.912 8.481 224 H ALA 560 H ALA 560 -6.156 6.973 10.220 225 HA ALA 560 HA ALA 560 -5.309 6.372 12.846 226 HB1 ALA 560 HB1 ALA 560 -7.598 5.745 13.186 227 HB2 ALA 560 HB2 ALA 560 -7.612 7.115 12.050 228 HB3 ALA 560 HB3 ALA 560 -7.847 5.457 11.448 229 H ALA 561 H ALA 561 -3.898 4.733 13.259 230 HA ALA 561 HA ALA 561 -3.709 2.468 11.565 231 HB1 ALA 561 HB1 ALA 561 -2.450 1.856 13.980 232 HB2 ALA 561 HB2 ALA 561 -1.695 2.633 12.568 233 HB3 ALA 561 HB3 ALA 561 -2.352 3.630 13.889 234 HA PRO 562 HA PRO 562 -3.456 0.643 11.380 235 HB2 PRO 562 HB2 PRO 562 -4.802 -1.327 10.048 236 HB3 PRO 562 HB3 PRO 562 -3.683 -1.648 11.358 237 HG2 PRO 562 HG2 PRO 562 -6.638 -1.733 11.381 238 HG3 PRO 562 HG3 PRO 562 -5.510 -2.446 12.518 239 HD2 PRO 562 HD2 PRO 562 -7.060 -0.063 12.902 240 HD3 PRO 562 HD3 PRO 562 -5.848 -0.712 13.989 241 H GLY 563 H GLY 563 -3.160 1.332 9.256 242 HA2 GLY 563 HA2 GLY 563 -4.568 3.436 8.382 243 HA3 GLY 563 HA3 GLY 563 -3.802 2.288 7.301 244 H VAL 564 H VAL 564 -5.052 0.842 6.082 245 HA VAL 564 HA VAL 564 -7.907 0.749 6.689 246 HB VAL 564 HB VAL 564 -7.015 1.116 3.858 247 HG11 VAL 564 HG11 VAL 564 -9.509 1.000 5.342 248 HG12 VAL 564 HG12 VAL 564 -9.398 2.496 4.383 249 HG13 VAL 564 HG13 VAL 564 -9.223 0.913 3.587 250 HG21 VAL 564 HG21 VAL 564 -5.944 2.968 5.070 251 HG22 VAL 564 HG22 VAL 564 -7.274 3.548 4.038 252 HG23 VAL 564 HG23 VAL 564 -7.510 3.401 5.796 253 H LYS 565 H LYS 565 -8.994 -1.094 5.561 254 HA LYS 565 HA LYS 565 -7.164 -3.337 5.511 255 HB2 LYS 565 HB2 LYS 565 -9.063 -3.724 6.841 256 HB3 LYS 565 HB3 LYS 565 -10.158 -3.030 5.663 257 HG2 LYS 565 HG2 LYS 565 -10.438 -5.403 5.471 258 HG3 LYS 565 HG3 LYS 565 -9.492 -4.932 4.073 259 HD2 LYS 565 HD2 LYS 565 -7.441 -5.424 5.767 260 HD3 LYS 565 HD3 LYS 565 -8.635 -6.462 6.520 261 HE2 LYS 565 HE2 LYS 565 -7.878 -6.554 3.559 262 HE3 LYS 565 HE3 LYS 565 -7.258 -7.649 4.778 263 HZ2 LYS 565 HZ2 LYS 565 -10.049 -7.427 3.828 264 HZ3 LYS 565 HZ3 LYS 565 -9.101 -8.751 3.841 265 H MET 566 H MET 566 -6.167 -3.888 3.654 266 HA MET 566 HA MET 566 -6.367 -2.869 1.279 267 HB2 MET 566 HB2 MET 566 -6.187 -5.859 1.942 268 HB3 MET 566 HB3 MET 566 -5.794 -5.213 0.361 269 HG2 MET 566 HG2 MET 566 -4.285 -3.555 1.973 270 HG3 MET 566 HG3 MET 566 -4.259 -5.032 2.916 271 HE1 MET 566 HE1 MET 566 -1.667 -3.563 0.331 272 HE2 MET 566 HE2 MET 566 -2.614 -4.018 -1.106 273 HE3 MET 566 HE3 MET 566 -3.359 -3.033 0.176 274 H GLN 567 H GLN 567 -7.929 -2.441 -0.216 275 HA GLN 567 HA GLN 567 -10.417 -3.849 0.040 276 HB2 GLN 567 HB2 GLN 567 -9.481 -1.295 -1.133 277 HB3 GLN 567 HB3 GLN 567 -10.705 -2.098 -2.097 278 HG2 GLN 567 HG2 GLN 567 -11.042 -1.726 0.906 279 HG3 GLN 567 HG3 GLN 567 -11.510 -0.474 -0.227 280 HE21 GLN 567 HE12 GLN 567 -13.574 -0.469 -0.629 281 HE22 GLN 567 HE22 GLN 567 -14.623 -1.838 -0.797 282 H ASP 568 H ASP 568 -10.882 -5.662 -1.122 283 HA ASP 568 HA ASP 568 -9.185 -6.834 -2.847 284 HB2 ASP 568 HB2 ASP 568 -12.015 -7.248 -3.603 285 HB3 ASP 568 HB3 ASP 568 -10.837 -8.413 -3.032 286 HD2 ASP 568 HD ASP 568 -13.186 -6.174 -2.080 287 H ALA 569 H ALA 569 -8.728 -6.633 -5.082 288 HA ALA 569 HA ALA 569 -9.641 -4.286 -6.394 289 HB1 ALA 569 HB1 ALA 569 -7.379 -5.631 -6.540 290 HB2 ALA 569 HB2 ALA 569 -8.245 -6.571 -7.779 291 HB3 ALA 569 HB3 ALA 569 -8.023 -4.817 -7.986 292 H GLU 570 H GLU 570 -9.672 -5.863 -9.068 293 HA GLU 570 HA GLU 570 -12.411 -6.826 -8.778 294 HB2 GLU 570 HB2 GLU 570 -12.971 -5.850 -10.933 295 HB3 GLU 570 HB3 GLU 570 -12.279 -4.598 -9.922 296 HG2 GLU 570 HG2 GLU 570 -10.780 -4.192 -11.575 297 HG3 GLU 570 HG3 GLU 570 -10.044 -5.741 -11.212 298 HE2 GLU 570 HE GLU 570 -11.341 -4.302 -14.026 299 H ILE 571 H ILE 571 -9.338 -7.835 -9.145 300 HA ILE 571 HA ILE 571 -9.710 -9.527 -11.456 301 HB ILE 571 HB ILE 571 -7.486 -8.762 -9.651 302 HG12 ILE 571 HG11 ILE 571 -7.987 -7.745 -11.913 303 HG13 ILE 571 HG12 ILE 571 -6.346 -8.308 -11.664 304 HG21 ILE 571 HG21 ILE 571 -6.086 -10.639 -10.486 305 HG22 ILE 571 HG22 ILE 571 -7.380 -11.149 -9.375 306 HG23 ILE 571 HG23 ILE 571 -7.560 -11.406 -11.127 307 HD11 ILE 571 HD11 ILE 571 -6.543 -10.012 -13.202 308 HD12 ILE 571 HD12 ILE 571 -8.245 -10.326 -12.790 309 HD13 ILE 571 HD13 ILE 571 -7.824 -8.961 -13.852 310 H SER 572 H SER 572 -10.230 -9.587 -7.996 311 HA SER 572 HA SER 572 -11.398 -11.095 -6.876 312 HB2 SER 572 HB2 SER 572 -11.991 -12.080 -9.271 313 HB3 SER 572 HB3 SER 572 -10.839 -13.327 -8.838 314 HG SER 572 HG SER 572 -12.378 -13.061 -6.680 315 H GLY 573 H GLY 573 -10.180 -11.511 -5.068 316 HA2 GLY 573 HA2 GLY 573 -8.861 -12.939 -3.798 317 HA3 GLY 573 HA3 GLY 573 -8.104 -13.564 -5.250 318 H TYR 574 H TYR 574 -8.165 -10.330 -5.883 319 HA TYR 574 HA TYR 574 -5.492 -9.972 -4.726 320 HB2 TYR 574 HB2 TYR 574 -6.854 -9.540 -7.290 321 HB3 TYR 574 HB3 TYR 574 -6.298 -7.989 -6.693 322 HD1 TYR 574 HD1 TYR 574 -5.145 -11.434 -7.533 323 HD2 TYR 574 HD2 TYR 574 -4.025 -7.357 -6.882 324 HE1 TYR 574 HE1 TYR 574 -2.808 -11.931 -8.399 325 HE2 TYR 574 HE2 TYR 574 -1.691 -7.867 -7.751 326 HH TYR 574 HH TYR 574 -0.268 -9.509 -8.223 327 H ALA 575 H ALA 575 -4.898 -7.711 -4.082 328 HA ALA 575 HA ALA 575 -7.248 -6.361 -2.939 329 HB1 ALA 575 HB1 ALA 575 -6.211 -6.782 -0.980 330 HB2 ALA 575 HB2 ALA 575 -4.710 -7.288 -1.794 331 HB3 ALA 575 HB3 ALA 575 -5.013 -5.563 -1.478 332 H LYS 576 H LYS 576 -7.122 -3.993 -2.826 333 HA LYS 576 HA LYS 576 -5.027 -2.716 -4.321 334 HB2 LYS 576 HB2 LYS 576 -6.264 -1.932 -6.142 335 HB3 LYS 576 HB3 LYS 576 -6.690 -3.628 -6.036 336 HG2 LYS 576 HG2 LYS 576 -8.804 -3.115 -4.937 337 HG3 LYS 576 HG3 LYS 576 -8.352 -1.437 -4.717 338 HD2 LYS 576 HD2 LYS 576 -8.281 -2.426 -7.540 339 HD3 LYS 576 HD3 LYS 576 -9.873 -2.348 -6.811 340 HE2 LYS 576 HE2 LYS 576 -7.998 0.019 -6.541 341 HE3 LYS 576 HE3 LYS 576 -8.871 -0.219 -8.042 342 HZ2 LYS 576 HZ2 LYS 576 -10.800 0.393 -7.058 343 HZ3 LYS 576 HZ3 LYS 576 -10.543 -0.478 -5.705 344 H ILE 577 H ILE 577 -4.701 -0.654 -3.569 345 HA ILE 577 HA ILE 577 -6.868 0.500 -1.971 346 HB ILE 577 HB ILE 577 -5.694 0.595 -0.093 347 HG12 ILE 577 HG11 ILE 577 -4.221 2.340 -0.878 348 HG13 ILE 577 HG12 ILE 577 -3.306 1.183 0.069 349 HG21 ILE 577 HG21 ILE 577 -4.064 -1.195 0.246 350 HG22 ILE 577 HG22 ILE 577 -5.457 -1.761 -0.706 351 HG23 ILE 577 HG23 ILE 577 -3.913 -1.403 -1.516 352 HD11 ILE 577 HD11 ILE 577 -1.930 0.775 -1.680 353 HD12 ILE 577 HD12 ILE 577 -3.316 0.327 -2.705 354 HD13 ILE 577 HD13 ILE 577 -2.795 2.027 -2.604 355 H THR 578 H THR 578 -6.961 2.799 -1.992 356 HA THR 578 HA THR 578 -5.098 4.069 -3.881 357 HB THR 578 HB THR 578 -8.079 4.693 -3.761 358 HG1 THR 578 HG1 THR 578 -8.350 2.834 -4.947 359 HG21 THR 578 HG21 THR 578 -6.668 4.687 -6.349 360 HG22 THR 578 HG22 THR 578 -7.637 5.981 -5.604 361 HG23 THR 578 HG23 THR 578 -5.915 5.810 -5.192 362 H VAL 579 H VAL 579 -4.150 5.878 -3.157 363 HA VAL 579 HA VAL 579 -5.449 7.215 -0.890 364 HB VAL 579 HB VAL 579 -2.469 7.005 -1.078 365 HG11 VAL 579 HG11 VAL 579 -3.065 6.877 1.542 366 HG12 VAL 579 HG12 VAL 579 -2.915 8.413 0.655 367 HG13 VAL 579 HG13 VAL 579 -4.524 7.714 0.959 368 HG21 VAL 579 HG21 VAL 579 -2.577 4.986 0.410 369 HG22 VAL 579 HG22 VAL 579 -4.313 4.865 0.032 370 HG23 VAL 579 HG23 VAL 579 -3.106 4.693 -1.265 371 H ASP 580 H ASP 580 -5.718 9.377 -1.192 372 HA ASP 580 HA ASP 580 -4.790 10.447 -3.656 373 HB2 ASP 580 HB2 ASP 580 -6.983 11.124 -2.960 374 HB3 ASP 580 HB3 ASP 580 -6.447 11.490 -1.333 375 HD2 ASP 580 HD ASP 580 -5.902 13.839 -1.074 376 H ILE 581 H ILE 581 -3.402 12.404 -3.812 377 HA ILE 581 HA ILE 581 -2.107 13.322 -1.411 378 HB ILE 581 HB ILE 581 0.155 12.814 -2.214 379 HG12 ILE 581 HG11 ILE 581 -1.245 11.114 -4.299 380 HG13 ILE 581 HG12 ILE 581 -0.344 12.585 -4.609 381 HG21 ILE 581 HG21 ILE 581 -0.990 11.400 -0.536 382 HG22 ILE 581 HG22 ILE 581 -1.544 10.332 -1.848 383 HG23 ILE 581 HG23 ILE 581 0.196 10.502 -1.515 384 HD11 ILE 581 HD11 ILE 581 1.393 10.957 -3.054 385 HD12 ILE 581 HD12 ILE 581 0.653 9.877 -4.261 386 HD13 ILE 581 HD13 ILE 581 1.532 11.333 -4.789 387 H GLY 582 H GLY 582 -3.719 14.939 -2.591 388 HA2 GLY 582 HA2 GLY 582 -2.826 16.186 -4.974 389 HA3 GLY 582 HA3 GLY 582 -3.994 16.804 -3.823 390 H SER 583 H SER 583 -0.453 15.985 -3.600 391 HA SER 583 HA SER 583 0.714 18.299 -3.740 392 HB2 SER 583 HB2 SER 583 -0.952 18.303 -1.255 393 HB3 SER 583 HB3 SER 583 0.680 18.918 -1.079 394 HG SER 583 HG SER 583 -0.641 19.878 -3.363 395 H ALA 584 H ALA 584 1.291 15.536 -3.846 396 HA ALA 584 HA ALA 584 3.675 15.465 -2.283 397 HB1 ALA 584 HB1 ALA 584 1.297 14.330 -1.156 398 HB2 ALA 584 HB2 ALA 584 2.374 12.994 -1.628 399 HB3 ALA 584 HB3 ALA 584 2.961 14.263 -0.527 400 H SER 585 H SER 585 5.182 14.006 -3.183 401 HA SER 585 HA SER 585 4.176 12.694 -5.586 402 HB2 SER 585 HB2 SER 585 6.393 14.498 -5.154 403 HB3 SER 585 HB3 SER 585 7.036 12.949 -5.659 404 HG SER 585 HG SER 585 4.785 13.818 -7.120 405 H GLN 586 H GLN 586 4.931 12.062 -2.449 406 HA GLN 586 HA GLN 586 5.728 9.377 -3.124 407 HB2 GLN 586 HB2 GLN 586 7.345 11.223 -1.330 408 HB3 GLN 586 HB3 GLN 586 7.448 9.479 -1.182 409 HG2 GLN 586 HG2 GLN 586 8.090 9.310 -3.594 410 HG3 GLN 586 HG3 GLN 586 7.980 11.052 -3.748 411 HE21 GLN 586 HE12 GLN 586 9.729 8.366 -2.383 412 HE22 GLN 586 HE22 GLN 586 11.179 9.205 -1.943 413 H LEU 587 H LEU 587 4.889 7.829 -1.676 414 HA LEU 587 HA LEU 587 3.657 8.850 0.761 415 HB2 LEU 587 HB2 LEU 587 2.000 8.869 -1.144 416 HB3 LEU 587 HB3 LEU 587 2.146 7.123 -1.197 417 HG LEU 587 HG LEU 587 1.355 8.565 1.335 418 HD11 LEU 587 HD11 LEU 587 -0.970 7.481 0.204 419 HD12 LEU 587 HD12 LEU 587 -0.562 9.201 0.414 420 HD13 LEU 587 HD13 LEU 587 -0.172 8.373 -1.113 421 HD21 LEU 587 HD21 LEU 587 1.156 6.539 2.228 422 HD22 LEU 587 HD22 LEU 587 0.196 5.948 0.851 423 HD23 LEU 587 HD23 LEU 587 1.974 5.902 0.782 424 H GLU 588 H GLU 588 3.912 7.476 2.481 425 HA GLU 588 HA GLU 588 5.429 5.099 1.900 426 HB2 GLU 588 HB2 GLU 588 6.348 6.436 3.659 427 HB3 GLU 588 HB3 GLU 588 4.791 6.639 4.438 428 HG2 GLU 588 HG2 GLU 588 4.823 4.509 5.393 429 HG3 GLU 588 HG3 GLU 588 5.784 3.820 4.100 430 HE2 GLU 588 HE GLU 588 7.551 5.118 7.349 431 H ALA 589 H ALA 589 4.808 2.962 2.581 432 HA ALA 589 HA ALA 589 2.103 2.680 3.622 433 HB1 ALA 589 HB1 ALA 589 1.218 1.710 1.769 434 HB2 ALA 589 HB2 ALA 589 2.516 2.571 0.908 435 HB3 ALA 589 HB3 ALA 589 2.732 0.865 1.367 436 H ALA 590 H ALA 590 1.923 0.945 5.019 437 HA ALA 590 HA ALA 590 4.258 -0.839 5.124 438 HB1 ALA 590 HB1 ALA 590 4.584 -0.320 7.294 439 HB2 ALA 590 HB2 ALA 590 3.500 1.066 7.025 440 HB3 ALA 590 HB3 ALA 590 2.849 -0.462 7.664 441 H PHE 591 H PHE 591 3.765 -3.015 6.023 442 HA PHE 591 HA PHE 591 0.941 -3.699 5.603 443 HB2 PHE 591 HB2 PHE 591 3.572 -4.792 4.585 444 HB3 PHE 591 HB3 PHE 591 2.367 -5.991 5.008 445 HD1 PHE 591 HD1 PHE 591 2.893 -2.972 2.909 446 HD2 PHE 591 HD2 PHE 591 0.649 -6.523 3.510 447 HE1 PHE 591 HE1 PHE 591 1.795 -2.657 0.674 448 HE2 PHE 591 HE2 PHE 591 -0.449 -6.208 1.276 449 HZ PHE 591 HZ PHE 591 0.137 -4.278 -0.116 450 H ASN 592 H ASN 592 -0.027 -4.753 7.282 451 HA ASN 592 HA ASN 592 1.638 -6.338 9.009 452 HB2 ASN 592 HB2 ASN 592 0.782 -5.238 11.073 453 HB3 ASN 592 HB3 ASN 592 1.661 -4.087 10.086 454 HD21 ASN 592 HD21 ASN 592 0.615 -2.437 9.049 455 HD22 ASN 592 HD22 ASN 592 -1.030 -1.989 9.354 456 H ASP 593 H ASP 593 0.420 -8.116 9.825 457 HA ASP 593 HA ASP 593 -2.054 -8.582 8.632 458 HB2 ASP 593 HB2 ASP 593 -1.020 -10.010 11.111 459 HB3 ASP 593 HB3 ASP 593 -2.027 -10.670 9.838 460 HD2 ASP 593 HD ASP 593 1.606 -9.913 8.473 461 H GLY 594 H GLY 594 -1.050 -6.826 11.449 462 HA2 GLY 594 HA2 GLY 594 -2.428 -5.507 12.749 463 HA3 GLY 594 HA3 GLY 594 -3.822 -6.458 12.276 464 H ASN 595 H ASN 595 -0.888 -8.171 13.242 465 HA ASN 595 HA ASN 595 -2.080 -8.600 15.863 466 HB2 ASN 595 HB2 ASN 595 -1.079 -10.642 13.840 467 HB3 ASN 595 HB3 ASN 595 -1.025 -11.021 15.550 468 HD21 ASN 595 HD21 ASN 595 -2.548 -12.568 15.599 469 HD22 ASN 595 HD22 ASN 595 -4.232 -12.325 15.274 470 H ASN 596 H ASN 596 -0.006 -6.714 15.192 471 HA ASN 596 HA ASN 596 1.917 -6.056 15.965 472 HB2 ASN 596 HB2 ASN 596 1.329 -8.264 17.703 473 HB3 ASN 596 HB3 ASN 596 3.014 -8.439 17.254 474 HD21 ASN 596 HD21 ASN 596 2.444 -7.963 19.814 475 HD22 ASN 596 HD22 ASN 596 2.876 -6.357 20.298 476 H ASN 597 H ASN 597 1.444 -7.839 13.488 477 HA ASN 597 HA ASN 597 4.182 -8.794 13.190 478 HB2 ASN 597 HB2 ASN 597 1.527 -9.718 12.041 479 HB3 ASN 597 HB3 ASN 597 2.992 -10.025 11.130 480 HD21 ASN 597 HD21 ASN 597 4.662 -11.281 12.041 481 HD22 ASN 597 HD22 ASN 597 4.360 -12.438 13.294 482 H TRP 598 H TRP 598 4.747 -6.472 12.647 483 HA TRP 598 HA TRP 598 3.614 -5.539 10.119 484 HB2 TRP 598 HB2 TRP 598 5.402 -4.087 12.076 485 HB3 TRP 598 HB3 TRP 598 4.603 -3.402 10.674 486 HD1 TRP 598 HD TRP 598 3.296 -5.379 13.803 487 HE1 TRP 598 HE1 TRP 598 1.127 -4.228 14.770 488 HE3 TRP 598 HE3 TRP 598 3.110 -1.640 10.362 489 HZ2 TRP 598 HZ2 TRP 598 -0.389 -1.934 14.005 490 HZ3 TRP 598 HZ3 TRP 598 1.253 0.014 10.543 491 HH2 TRP 598 HH TRP 598 -0.458 -0.090 12.286 492 H ASP 599 H ASP 599 4.855 -5.469 8.246 493 HA ASP 599 HA ASP 599 7.668 -6.128 8.575 494 HB2 ASP 599 HB2 ASP 599 5.711 -7.331 6.562 495 HB3 ASP 599 HB3 ASP 599 7.449 -7.524 6.452 496 HD2 ASP 599 HD ASP 599 7.868 -9.935 7.747 497 H SER 600 H SER 600 8.249 -3.916 8.090 498 HA SER 600 HA SER 600 7.085 -2.682 5.793 499 HB2 SER 600 HB2 SER 600 9.480 -1.553 7.239 500 HB3 SER 600 HB3 SER 600 8.122 -0.705 6.526 501 HG SER 600 HG SER 600 7.033 -0.856 8.368 502 H ASN 601 H ASN 601 10.549 -3.152 6.823 503 HA ASN 601 HA ASN 601 11.377 -4.682 4.778 504 HB2 ASN 601 HB2 ASN 601 12.508 -2.875 3.280 505 HB3 ASN 601 HB3 ASN 601 10.787 -3.121 3.060 506 HD21 ASN 601 HD21 ASN 601 11.928 -0.819 2.237 507 HD22 ASN 601 HD22 ASN 601 11.446 0.522 3.222 508 H ASN 602 H ASN 602 12.150 -1.460 6.292 509 HA ASN 602 HA ASN 602 14.473 -2.704 7.483 510 HB2 ASN 602 HB2 ASN 602 14.987 -1.316 5.280 511 HB3 ASN 602 HB3 ASN 602 14.698 0.088 6.289 512 HD21 ASN 602 HD21 ASN 602 16.542 0.953 6.840 513 HD22 ASN 602 HD22 ASN 602 17.956 0.138 7.420 514 H THR 603 H THR 603 12.606 0.400 7.047 515 HA THR 603 HA THR 603 11.601 0.572 9.592 516 HB THR 603 HB THR 603 13.740 0.705 10.627 517 HG1 THR 603 HG1 THR 603 13.350 2.740 11.441 518 HG21 THR 603 HG21 THR 603 14.569 2.662 8.419 519 HG22 THR 603 HG22 THR 603 15.585 2.120 9.776 520 HG23 THR 603 HG23 THR 603 15.100 0.966 8.512 521 H LYS 604 H LYS 604 12.988 2.232 6.760 522 HA LYS 604 HA LYS 604 11.141 4.440 7.164 523 HB2 LYS 604 HB2 LYS 604 13.589 4.725 6.508 524 HB3 LYS 604 HB3 LYS 604 13.157 4.084 4.936 525 HG2 LYS 604 HG2 LYS 604 11.216 6.110 5.679 526 HG3 LYS 604 HG3 LYS 604 12.826 6.768 5.898 527 HD2 LYS 604 HD2 LYS 604 13.301 5.709 3.514 528 HD3 LYS 604 HD3 LYS 604 11.555 5.692 3.364 529 HE2 LYS 604 HE2 LYS 604 11.383 8.036 3.393 530 HE3 LYS 604 HE3 LYS 604 12.863 8.244 4.307 531 HZ2 LYS 604 HZ2 LYS 604 13.503 8.833 2.167 532 HZ3 LYS 604 HZ3 LYS 604 13.952 7.268 2.166 533 H ASN 605 H ASN 605 10.287 1.589 6.578 534 HA ASN 605 HA ASN 605 9.068 0.444 5.154 535 HB2 ASN 605 HB2 ASN 605 7.664 2.612 6.115 536 HB3 ASN 605 HB3 ASN 605 7.463 2.865 4.393 537 HD21 ASN 605 HD21 ASN 605 7.715 0.007 3.778 538 HD22 ASN 605 HD22 ASN 605 6.214 -0.742 4.211 539 H TYR 606 H TYR 606 7.445 1.707 2.880 540 HA TYR 606 HA TYR 606 9.671 2.150 1.005 541 HB2 TYR 606 HB2 TYR 606 7.061 0.564 0.996 542 HB3 TYR 606 HB3 TYR 606 7.659 1.169 -0.536 543 HD1 TYR 606 HD2 TYR 606 10.593 0.808 -0.227 544 HD2 TYR 606 HD1 TYR 606 7.354 -1.756 0.888 545 HE1 TYR 606 HE2 TYR 606 12.117 -1.217 -0.426 546 HE2 TYR 606 HE1 TYR 606 8.889 -3.772 0.685 547 HH TYR 606 HH TYR 606 10.859 -4.438 -0.314 548 H LEU 607 H LEU 607 9.587 3.963 -0.262 549 HA LEU 607 HA LEU 607 7.141 5.565 -0.011 550 HB2 LEU 607 HB2 LEU 607 10.037 6.307 -0.366 551 HB3 LEU 607 HB3 LEU 607 8.741 7.436 -0.709 552 HG LEU 607 HG LEU 607 9.761 7.716 1.537 553 HD11 LEU 607 HD11 LEU 607 6.824 6.995 1.416 554 HD12 LEU 607 HD12 LEU 607 7.597 7.806 2.799 555 HD13 LEU 607 HD13 LEU 607 7.569 8.598 1.205 556 HD21 LEU 607 HD21 LEU 607 8.395 5.152 2.353 557 HD22 LEU 607 HD22 LEU 607 10.102 5.204 1.852 558 HD23 LEU 607 HD23 LEU 607 9.561 6.140 3.266 559 H PHE 608 H PHE 608 5.859 5.687 -1.768 560 HA PHE 608 HA PHE 608 7.163 5.421 -4.376 561 HB2 PHE 608 HB2 PHE 608 4.753 4.008 -3.133 562 HB3 PHE 608 HB3 PHE 608 4.821 4.209 -4.873 563 HD1 PHE 608 HD1 PHE 608 7.107 3.075 -2.136 564 HD2 PHE 608 HD2 PHE 608 5.634 2.419 -6.061 565 HE1 PHE 608 HE1 PHE 608 8.517 1.007 -2.319 566 HE2 PHE 608 HE2 PHE 608 7.044 0.350 -6.244 567 HZ PHE 608 HZ PHE 608 8.469 -0.331 -4.372 568 H SER 609 H SER 609 5.835 6.326 -6.185 569 HA SER 609 HA SER 609 4.295 8.569 -5.158 570 HB2 SER 609 HB2 SER 609 6.410 8.818 -6.693 571 HB3 SER 609 HB3 SER 609 5.346 8.320 -7.993 572 HG SER 609 HG SER 609 5.072 10.493 -8.028 573 H THR 610 H THR 610 2.584 9.337 -6.996 574 HA THR 610 HA THR 610 0.582 7.426 -7.061 575 HB THR 610 HB THR 610 -0.493 9.067 -8.619 576 HG1 THR 610 HG1 THR 610 2.055 10.463 -8.436 577 HG21 THR 610 HG21 THR 610 1.047 10.016 -6.204 578 HG22 THR 610 HG22 THR 610 0.379 11.259 -7.289 579 HG23 THR 610 HG23 THR 610 -0.704 10.076 -6.517 580 H GLY 611 H GLY 611 -0.551 6.851 -9.307 581 HA2 GLY 611 HA2 GLY 611 -0.058 6.167 -11.569 582 HA3 GLY 611 HA3 GLY 611 1.538 5.673 -11.039 583 H THR 612 H THR 612 1.613 3.465 -11.249 584 HA THR 612 HA THR 612 -0.481 1.961 -9.838 585 HB THR 612 HB THR 612 0.749 1.139 -12.512 586 HG1 THR 612 HG1 THR 612 -0.528 3.223 -12.479 587 HG21 THR 612 HG21 THR 612 -0.586 -0.482 -10.871 588 HG22 THR 612 HG22 THR 612 -2.001 0.435 -11.441 589 HG23 THR 612 HG23 THR 612 -0.993 -0.459 -12.604 590 H SER 613 H SER 613 0.254 0.513 -8.400 591 HA SER 613 HA SER 613 2.964 -0.435 -8.782 592 HB2 SER 613 HB2 SER 613 2.138 0.329 -5.989 593 HB3 SER 613 HB3 SER 613 3.746 0.228 -6.680 594 HG SER 613 HG SER 613 2.844 2.450 -6.267 595 H THR 614 H THR 614 3.413 -2.420 -7.414 596 HA THR 614 HA THR 614 0.957 -3.728 -6.486 597 HB THR 614 HB THR 614 3.045 -4.967 -8.356 598 HG1 THR 614 HG1 THR 614 1.338 -4.603 -9.904 599 HG21 THR 614 HG21 THR 614 1.767 -6.588 -6.874 600 HG22 THR 614 HG22 THR 614 0.253 -5.909 -7.518 601 HG23 THR 614 HG23 THR 614 1.377 -6.764 -8.602 602 H TYR 615 H TYR 615 1.156 -4.546 -4.499 603 HA TYR 615 HA TYR 615 3.865 -4.700 -3.415 604 HB2 TYR 615 HB2 TYR 615 1.214 -3.873 -2.583 605 HB3 TYR 615 HB3 TYR 615 1.603 -5.286 -1.623 606 HD1 TYR 615 HD2 TYR 615 3.647 -5.270 -0.154 607 HD2 TYR 615 HD1 TYR 615 2.258 -1.759 -2.167 608 HE1 TYR 615 HE2 TYR 615 5.029 -3.818 1.409 609 HE2 TYR 615 HE1 TYR 615 3.645 -0.319 -0.596 610 HH TYR 615 HH TYR 615 4.923 -0.276 1.145 611 H THR 616 H THR 616 4.875 -6.627 -3.157 612 HA THR 616 HA THR 616 3.168 -9.029 -3.177 613 HB THR 616 HB THR 616 5.982 -8.476 -4.243 614 HG1 THR 616 HG1 THR 616 4.819 -8.669 -6.169 615 HG21 THR 616 HG21 THR 616 5.521 -10.848 -3.132 616 HG22 THR 616 HG22 THR 616 4.478 -11.096 -4.553 617 HG23 THR 616 HG23 THR 616 6.216 -10.776 -4.770 618 HA PRO 617 HA PRO 617 4.628 -9.545 0.867 619 HB2 PRO 617 HB2 PRO 617 3.206 -11.801 1.466 620 HB3 PRO 617 HB3 PRO 617 2.548 -10.184 1.620 621 HG2 PRO 617 HG2 PRO 617 2.004 -12.218 -0.456 622 HG3 PRO 617 HG3 PRO 617 1.069 -10.795 -0.041 623 HD2 PRO 617 HD2 PRO 617 2.805 -11.108 -2.303 624 HD3 PRO 617 HD3 PRO 617 1.960 -9.649 -1.824 625 H GLY 618 H GLY 618 5.109 -11.879 2.206 626 HA2 GLY 618 HA2 GLY 618 7.282 -12.979 0.527 627 HA3 GLY 618 HA3 GLY 618 7.353 -12.777 2.266 628 H SER 619 H SER 619 7.829 -15.069 2.510 629 HA SER 619 HA SER 619 5.451 -16.701 2.074 630 HB2 SER 619 HB2 SER 619 7.435 -17.322 0.643 631 HB3 SER 619 HB3 SER 619 8.353 -17.640 2.101 632 HG SER 619 HG SER 619 7.391 -19.581 1.185 633 H ASN 620 H ASN 620 8.301 -15.952 4.148 634 HA ASN 620 HA ASN 620 6.780 -17.069 6.363 635 HB2 ASN 620 HB2 ASN 620 9.527 -17.746 5.434 636 HB3 ASN 620 HB3 ASN 620 9.451 -17.360 7.142 637 HD21 ASN 620 HD21 ASN 620 10.142 -19.850 6.341 638 HD22 ASN 620 HD22 ASN 620 8.908 -21.005 6.720 639 H GLY 621 H GLY 621 6.141 -14.826 6.846 640 HA2 GLY 621 HA2 GLY 621 6.443 -12.663 7.488 641 HA3 GLY 621 HA3 GLY 621 7.408 -13.439 8.727 642 H ALA 622 H ALA 622 8.026 -13.077 5.170 643 HA ALA 622 HA ALA 622 10.422 -11.530 5.888 644 HB1 ALA 622 HB1 ALA 622 10.049 -13.794 3.900 645 HB2 ALA 622 HB2 ALA 622 11.419 -12.662 3.814 646 HB3 ALA 622 HB3 ALA 622 11.204 -13.689 5.251 647 H ALA 623 H ALA 623 9.893 -9.454 5.350 648 HA ALA 623 HA ALA 623 7.983 -8.546 3.721 649 HB1 ALA 623 HB1 ALA 623 10.412 -7.557 4.895 650 HB2 ALA 623 HB2 ALA 623 10.283 -6.914 3.240 651 HB3 ALA 623 HB3 ALA 623 8.963 -6.646 4.405 652 H GLY 624 H GLY 624 7.747 -7.959 1.495 653 HA2 GLY 624 HA2 GLY 624 9.460 -9.569 -0.288 654 HA3 GLY 624 HA3 GLY 624 7.800 -9.096 -0.594 655 H THR 625 H THR 625 7.795 -7.723 -2.329 656 HA THR 625 HA THR 625 9.255 -5.241 -2.075 657 HB THR 625 HB THR 625 10.169 -5.696 -4.504 658 HG1 THR 625 HG1 THR 625 9.503 -8.297 -3.325 659 HG21 THR 625 HG21 THR 625 12.222 -6.343 -3.616 660 HG22 THR 625 HG22 THR 625 11.420 -5.912 -2.086 661 HG23 THR 625 HG23 THR 625 11.492 -7.613 -2.604 662 H ILE 626 H ILE 626 8.696 -3.749 -3.978 663 HA ILE 626 HA ILE 626 5.908 -4.310 -4.721 664 HB ILE 626 HB ILE 626 6.865 -1.514 -4.607 665 HG12 ILE 626 HG11 ILE 626 6.317 -3.072 -2.063 666 HG13 ILE 626 HG12 ILE 626 7.899 -2.529 -2.585 667 HG21 ILE 626 HG21 ILE 626 4.327 -2.793 -3.567 668 HG22 ILE 626 HG22 ILE 626 4.628 -1.073 -3.911 669 HG23 ILE 626 HG23 ILE 626 4.551 -2.247 -5.246 670 HD11 ILE 626 HD11 ILE 626 7.504 -0.532 -1.601 671 HD12 ILE 626 HD12 ILE 626 6.183 -0.251 -2.761 672 HD13 ILE 626 HD13 ILE 626 5.844 -1.034 -1.199 673 H ARG 627 H ARG 627 5.435 -4.369 -6.865 674 HA ARG 627 HA ARG 627 7.591 -3.502 -8.616 675 HB2 ARG 627 HB2 ARG 627 6.566 -6.007 -8.478 676 HB3 ARG 627 HB3 ARG 627 5.398 -5.330 -9.595 677 HG2 ARG 627 HG2 ARG 627 8.164 -4.587 -10.302 678 HG3 ARG 627 HG3 ARG 627 7.943 -6.324 -10.255 679 HD2 ARG 627 HD1 ARG 627 6.608 -6.329 -12.120 680 HD3 ARG 627 HD2 ARG 627 5.703 -4.923 -11.596 681 HE ARG 627 HE ARG 627 7.059 -3.631 -12.977 682 HH11 ARG 627 HH22 ARG 627 8.880 -6.529 -12.061 683 HH12 ARG 627 HH21 ARG 627 10.256 -6.122 -13.030 684 HH22 ARG 627 HH1 ARG 627 10.232 -4.097 -14.312 685 H THR 628 H THR 628 7.158 -1.817 -10.030 686 HA THR 628 HA THR 628 4.569 -0.588 -9.917 687 HB THR 628 HB THR 628 6.385 0.455 -11.952 688 HG1 THR 628 HG1 THR 628 8.210 0.641 -10.470 689 HG21 THR 628 HG21 THR 628 5.658 2.363 -10.931 690 HG22 THR 628 HG22 THR 628 4.861 1.386 -9.674 691 HG23 THR 628 HG23 THR 628 6.552 1.902 -9.462 692 H GLY 629 H GLY 629 3.075 -0.265 -11.602 693 HA2 GLY 629 HA2 GLY 629 2.493 -0.588 -13.907 694 HA3 GLY 629 HA3 GLY 629 3.435 -2.065 -13.917 695 H ALA 630 H ALA 630 0.451 -1.410 -14.410 696 HA ALA 630 HA ALA 630 -1.072 -2.456 -12.329 697 HB1 ALA 630 HB1 ALA 630 -2.171 -3.066 -14.944 698 HB2 ALA 630 HB2 ALA 630 -2.703 -1.855 -13.754 699 HB3 ALA 630 HB3 ALA 630 -1.445 -1.441 -14.944 700 HA PRO 631 HA PRO 631 0.172 -6.630 -12.662 701 HB2 PRO 631 HB2 PRO 631 -1.252 -7.591 -10.538 702 HB3 PRO 631 HB3 PRO 631 0.331 -6.857 -10.376 703 HG2 PRO 631 HG2 PRO 631 -2.315 -5.724 -9.700 704 HG3 PRO 631 HG3 PRO 631 -0.729 -5.203 -9.168 705 HD2 PRO 631 HD2 PRO 631 -2.363 -3.956 -11.168 706 HD3 PRO 631 HD3 PRO 631 -0.731 -3.504 -10.717 707 H SER 632 H SER 632 -0.719 -8.827 -13.006 708 HA SER 632 HA SER 632 -3.500 -8.771 -13.689 709 HB2 SER 632 HB2 SER 632 -2.183 -7.925 -15.733 710 HB3 SER 632 HB3 SER 632 -1.484 -9.528 -15.842 711 HG SER 632 HG SER 632 -4.298 -8.857 -15.995 712 H GLY 633 H GLY 633 -3.474 -10.333 -11.894 713 HA2 GLY 633 HA2 GLY 633 -3.458 -12.415 -11.050 714 HA3 GLY 633 HA3 GLY 633 -3.388 -13.001 -12.700 Start of MODEL 3 1 H1 GLY 530 H GLY 530 -4.811 23.799 -4.143 2 HA2 GLY 530 HA2 GLY 530 -7.305 23.106 -4.383 3 HA3 GLY 530 HA3 GLY 530 -6.072 22.225 -5.263 4 H GLY 531 H GLY 531 -4.807 20.813 -3.109 5 HA2 GLY 531 HA2 GLY 531 -5.220 19.228 -1.466 6 HA3 GLY 531 HA3 GLY 531 -6.942 19.319 -1.781 7 H THR 532 H THR 532 -7.513 17.226 -2.301 8 HA THR 532 HA THR 532 -5.993 15.302 -3.463 9 HB THR 532 HB THR 532 -8.328 14.466 -4.280 10 HG1 THR 532 HG1 THR 532 -9.408 16.471 -4.471 11 HG21 THR 532 HG21 THR 532 -7.305 14.149 -1.871 12 HG22 THR 532 HG22 THR 532 -8.415 15.460 -1.404 13 HG23 THR 532 HG23 THR 532 -9.061 13.942 -2.071 14 H THR 533 H THR 533 -5.200 14.746 -5.423 15 HA THR 533 HA THR 533 -6.280 15.920 -7.811 16 HB THR 533 HB THR 533 -3.471 16.676 -6.842 17 HG1 THR 533 HG1 THR 533 -4.612 18.433 -6.124 18 HG21 THR 533 HG21 THR 533 -3.107 17.664 -8.904 19 HG22 THR 533 HG22 THR 533 -4.260 16.433 -9.473 20 HG23 THR 533 HG23 THR 533 -4.825 18.081 -9.109 21 H ASN 534 H ASN 534 -3.219 14.425 -6.548 22 HA ASN 534 HA ASN 534 -3.308 12.668 -8.828 23 HB2 ASN 534 HB2 ASN 534 -1.253 13.722 -7.025 24 HB3 ASN 534 HB3 ASN 534 -1.136 11.975 -7.098 25 HD21 ASN 534 HD21 ASN 534 0.771 13.797 -8.083 26 HD22 ASN 534 HD22 ASN 534 0.911 13.609 -9.799 27 H LYS 535 H LYS 535 -2.663 10.236 -8.265 28 HA LYS 535 HA LYS 535 -3.635 9.389 -5.671 29 HB2 LYS 535 HB2 LYS 535 -5.055 8.787 -8.262 30 HB3 LYS 535 HB3 LYS 535 -5.133 7.674 -6.911 31 HG2 LYS 535 HG2 LYS 535 -5.632 10.119 -5.674 32 HG3 LYS 535 HG3 LYS 535 -6.398 10.339 -7.234 33 HD2 LYS 535 HD2 LYS 535 -7.311 7.840 -6.685 34 HD3 LYS 535 HD3 LYS 535 -7.073 8.398 -5.041 35 HE2 LYS 535 HE2 LYS 535 -8.576 10.269 -5.350 36 HE3 LYS 535 HE3 LYS 535 -8.596 10.062 -7.090 37 HZ2 LYS 535 HZ2 LYS 535 -10.136 8.421 -6.921 38 HZ3 LYS 535 HZ3 LYS 535 -9.450 7.720 -5.621 39 H VAL 536 H VAL 536 -3.095 7.098 -5.239 40 HA VAL 536 HA VAL 536 -1.046 6.092 -7.081 41 HB VAL 536 HB VAL 536 -0.727 5.815 -4.119 42 HG11 VAL 536 HG11 VAL 536 1.726 6.302 -5.388 43 HG12 VAL 536 HG12 VAL 536 1.086 4.731 -4.848 44 HG13 VAL 536 HG13 VAL 536 0.815 5.275 -6.522 45 HG21 VAL 536 HG21 VAL 536 0.146 8.253 -5.708 46 HG22 VAL 536 HG22 VAL 536 -1.116 8.217 -4.453 47 HG23 VAL 536 HG23 VAL 536 0.579 7.891 -4.019 48 H THR 537 H THR 537 -1.388 4.004 -7.667 49 HA THR 537 HA THR 537 -3.409 2.532 -6.121 50 HB THR 537 HB THR 537 -2.514 2.581 -9.029 51 HG1 THR 537 HG1 THR 537 -4.298 3.911 -8.132 52 HG21 THR 537 HG21 THR 537 -3.669 0.565 -9.506 53 HG22 THR 537 HG22 THR 537 -2.796 0.142 -8.013 54 HG23 THR 537 HG23 THR 537 -4.521 0.576 -7.943 55 H VAL 538 H VAL 538 -2.807 0.912 -4.837 56 HA VAL 538 HA VAL 538 -0.246 -0.379 -5.475 57 HB VAL 538 HB VAL 538 -1.167 -0.266 -2.660 58 HG11 VAL 538 HG11 VAL 538 1.422 0.322 -2.549 59 HG12 VAL 538 HG12 VAL 538 0.854 -1.346 -2.799 60 HG13 VAL 538 HG13 VAL 538 1.405 -0.376 -4.186 61 HG21 VAL 538 HG21 VAL 538 0.006 2.162 -4.059 62 HG22 VAL 538 HG22 VAL 538 -1.629 2.029 -3.368 63 HG23 VAL 538 HG23 VAL 538 -0.206 1.976 -2.301 64 H TYR 539 H TYR 539 -0.434 -2.521 -5.881 65 HA TYR 539 HA TYR 539 -2.964 -3.786 -5.124 66 HB2 TYR 539 HB2 TYR 539 -0.957 -3.836 -7.325 67 HB3 TYR 539 HB3 TYR 539 -1.334 -5.455 -6.770 68 HD1 TYR 539 HD1 TYR 539 -3.508 -2.419 -7.153 69 HD2 TYR 539 HD2 TYR 539 -2.711 -6.444 -8.364 70 HE1 TYR 539 HE1 TYR 539 -5.619 -2.418 -8.570 71 HE2 TYR 539 HE2 TYR 539 -4.825 -6.430 -9.777 72 HH TYR 539 HH TYR 539 -7.079 -3.752 -9.620 73 H TYR 540 H TYR 540 -3.056 -5.623 -3.837 74 HA TYR 540 HA TYR 540 -0.471 -6.631 -2.867 75 HB2 TYR 540 HB2 TYR 540 -1.332 -5.296 -1.056 76 HB3 TYR 540 HB3 TYR 540 -2.997 -5.610 -1.501 77 HD1 TYR 540 HD1 TYR 540 -0.157 -7.953 -0.766 78 HD2 TYR 540 HD2 TYR 540 -4.055 -6.573 0.333 79 HE1 TYR 540 HE1 TYR 540 -0.300 -9.756 1.022 80 HE2 TYR 540 HE2 TYR 540 -4.184 -8.380 2.116 81 HH TYR 540 HH TYR 540 -2.225 -9.690 3.496 82 H LYS 541 H LYS 541 -0.314 -8.856 -2.646 83 HA LYS 541 HA LYS 541 -2.545 -10.343 -3.757 84 HB2 LYS 541 HB2 LYS 541 -0.176 -10.599 -4.580 85 HB3 LYS 541 HB3 LYS 541 0.232 -11.316 -3.034 86 HG2 LYS 541 HG2 LYS 541 -1.769 -12.944 -3.479 87 HG3 LYS 541 HG3 LYS 541 -1.697 -12.374 -5.134 88 HD2 LYS 541 HD2 LYS 541 0.812 -12.973 -5.103 89 HD3 LYS 541 HD3 LYS 541 0.518 -13.773 -3.572 90 HE2 LYS 541 HE2 LYS 541 -1.097 -15.305 -4.606 91 HE3 LYS 541 HE3 LYS 541 -1.037 -14.423 -6.119 92 HZ2 LYS 541 HZ2 LYS 541 0.406 -16.465 -6.013 93 HZ3 LYS 541 HZ3 LYS 541 1.210 -15.121 -6.458 94 H LYS 542 H LYS 542 -4.101 -11.068 -2.415 95 HA LYS 542 HA LYS 542 -3.465 -11.394 0.388 96 HB2 LYS 542 HB2 LYS 542 -5.485 -10.341 0.250 97 HB3 LYS 542 HB3 LYS 542 -5.927 -11.112 -1.260 98 HG2 LYS 542 HG2 LYS 542 -6.844 -12.960 -0.217 99 HG3 LYS 542 HG3 LYS 542 -5.655 -12.963 1.070 100 HD2 LYS 542 HD2 LYS 542 -8.007 -12.366 1.820 101 HD3 LYS 542 HD3 LYS 542 -6.787 -11.187 2.260 102 HE2 LYS 542 HE2 LYS 542 -7.605 -9.578 0.804 103 HE3 LYS 542 HE3 LYS 542 -8.091 -10.755 -0.401 104 HZ2 LYS 542 HZ2 LYS 542 -10.137 -10.929 0.532 105 HZ3 LYS 542 HZ3 LYS 542 -9.592 -10.922 2.067 106 H GLY 543 H GLY 543 -3.470 -14.840 0.807 107 HA2 GLY 543 HA2 GLY 543 -2.359 -12.762 1.957 108 HA3 GLY 543 HA3 GLY 543 -3.983 -12.127 1.779 109 H PHE 544 H PHE 544 -4.865 -12.167 3.819 110 HA PHE 544 HA PHE 544 -4.703 -14.738 5.230 111 HB2 PHE 544 HB2 PHE 544 -5.057 -11.876 6.304 112 HB3 PHE 544 HB3 PHE 544 -4.852 -13.309 7.293 113 HD1 PHE 544 HD1 PHE 544 -3.109 -11.302 4.685 114 HD2 PHE 544 HD2 PHE 544 -2.723 -13.932 7.993 115 HE1 PHE 544 HE1 PHE 544 -0.623 -10.955 4.671 116 HE2 PHE 544 HE2 PHE 544 -0.237 -13.584 7.980 117 HZ PHE 544 HZ PHE 544 0.783 -12.100 6.319 118 H ASN 545 H ASN 545 -6.626 -12.686 7.001 119 HA ASN 545 HA ASN 545 -9.002 -13.598 5.576 120 HB2 ASN 545 HB2 ASN 545 -8.525 -13.270 8.585 121 HB3 ASN 545 HB3 ASN 545 -10.100 -13.596 7.890 122 HD21 ASN 545 HD21 ASN 545 -6.956 -14.829 8.642 123 HD22 ASN 545 HD22 ASN 545 -7.240 -16.503 8.299 124 H SER 546 H SER 546 -7.539 -11.152 7.826 125 HA SER 546 HA SER 546 -9.120 -9.132 6.507 126 HB2 SER 546 HB2 SER 546 -10.556 -9.584 8.373 127 HB3 SER 546 HB3 SER 546 -9.209 -9.722 9.485 128 HG SER 546 HG SER 546 -10.603 -7.608 9.298 129 HA PRO 547 HA PRO 547 -4.776 -8.058 7.516 130 HB2 PRO 547 HB2 PRO 547 -3.794 -7.842 4.975 131 HB3 PRO 547 HB3 PRO 547 -3.631 -9.292 5.945 132 HG2 PRO 547 HG2 PRO 547 -5.445 -8.780 3.668 133 HG3 PRO 547 HG3 PRO 547 -4.965 -10.315 4.365 134 HD2 PRO 547 HD2 PRO 547 -7.471 -8.970 4.738 135 HD3 PRO 547 HD3 PRO 547 -6.945 -10.445 5.525 136 H TYR 548 H TYR 548 -3.844 -6.024 7.675 137 HA TYR 548 HA TYR 548 -5.421 -3.989 6.249 138 HB2 TYR 548 HB2 TYR 548 -4.655 -4.494 9.110 139 HB3 TYR 548 HB3 TYR 548 -4.345 -2.849 8.591 140 HD1 TYR 548 HD2 TYR 548 -6.234 -1.406 7.809 141 HD2 TYR 548 HD1 TYR 548 -6.895 -5.288 9.481 142 HE1 TYR 548 HE2 TYR 548 -8.679 -0.830 8.197 143 HE2 TYR 548 HE1 TYR 548 -9.338 -4.699 9.864 144 HH TYR 548 HH TYR 548 -10.988 -3.013 8.683 145 H ILE 549 H ILE 549 -4.271 -1.988 5.742 146 HA ILE 549 HA ILE 549 -1.356 -2.323 5.794 147 HB ILE 549 HB ILE 549 -1.542 -2.719 3.607 148 HG12 ILE 549 HG11 ILE 549 -2.208 0.205 3.272 149 HG13 ILE 549 HG12 ILE 549 -0.672 -0.304 3.945 150 HG21 ILE 549 HG21 ILE 549 -3.532 -1.869 2.221 151 HG22 ILE 549 HG22 ILE 549 -3.831 -3.145 3.426 152 HG23 ILE 549 HG23 ILE 549 -4.274 -1.459 3.786 153 HD11 ILE 549 HD11 ILE 549 0.068 -0.541 1.815 154 HD12 ILE 549 HD12 ILE 549 -1.003 -1.957 1.684 155 HD13 ILE 549 HD13 ILE 549 -1.578 -0.355 1.162 156 H HIS 550 H HIS 550 -0.151 -0.433 6.171 157 HA HIS 550 HA HIS 550 -1.785 1.932 6.730 158 HB2 HIS 550 HB2 HIS 550 -0.984 0.584 8.767 159 HB3 HIS 550 HB3 HIS 550 0.629 1.139 8.362 160 HD1 HIS 550 HD1 HIS 550 -1.524 3.861 7.469 161 HD2 HIS 550 HE2 HIS 550 -0.023 2.364 11.089 162 HE1 HIS 550 HE1 HIS 550 -1.738 5.753 9.168 163 H TYR 551 H TYR 551 -1.228 3.578 5.404 164 HA TYR 551 HA TYR 551 1.597 3.737 4.601 165 HB2 TYR 551 HB2 TYR 551 0.213 4.861 2.516 166 HB3 TYR 551 HB3 TYR 551 0.571 3.146 2.557 167 HD1 TYR 551 HD2 TYR 551 -2.048 5.495 3.886 168 HD2 TYR 551 HD1 TYR 551 -1.181 1.698 2.115 169 HE1 TYR 551 HE2 TYR 551 -4.533 4.967 3.784 170 HE2 TYR 551 HE1 TYR 551 -3.669 1.183 2.019 171 HH TYR 551 HH TYR 551 -5.715 2.184 2.064 172 H ARG 552 H ARG 552 2.261 5.968 3.914 173 HA ARG 552 HA ARG 552 0.531 8.014 4.986 174 HB2 ARG 552 HB2 ARG 552 1.815 8.315 6.842 175 HB3 ARG 552 HB3 ARG 552 2.914 7.053 6.322 176 HG2 ARG 552 HG2 ARG 552 4.223 8.640 4.996 177 HG3 ARG 552 HG3 ARG 552 3.045 9.910 5.258 178 HD2 ARG 552 HD2 ARG 552 3.864 10.412 7.342 179 HD3 ARG 552 HD3 ARG 552 4.041 8.726 7.786 180 HE ARG 552 HE ARG 552 6.013 9.421 5.800 181 HH11 ARG 552 HH22 ARG 552 5.276 9.873 9.237 182 HH12 ARG 552 HH21 ARG 552 6.934 10.083 9.692 183 HH22 ARG 552 HH1 ARG 552 8.636 9.975 8.009 184 HA PRO 553 HA PRO 553 2.165 10.169 1.565 185 HB2 PRO 553 HB2 PRO 553 1.701 12.774 2.252 186 HB3 PRO 553 HB3 PRO 553 0.459 11.716 1.611 187 HG2 PRO 553 HG2 PRO 553 0.858 12.633 4.393 188 HG3 PRO 553 HG3 PRO 553 -0.577 11.945 3.658 189 HD2 PRO 553 HD2 PRO 553 1.261 10.613 5.412 190 HD3 PRO 553 HD3 PRO 553 -0.108 9.894 4.586 191 H ALA 554 H ALA 554 3.905 11.344 0.634 192 HA ALA 554 HA ALA 554 6.302 10.946 1.598 193 HB1 ALA 554 HB1 ALA 554 6.283 13.697 0.722 194 HB2 ALA 554 HB2 ALA 554 6.816 12.245 -0.159 195 HB3 ALA 554 HB3 ALA 554 5.115 12.762 -0.243 196 H GLY 555 H GLY 555 4.881 14.224 2.242 197 HA2 GLY 555 HA2 GLY 555 6.028 14.048 4.965 198 HA3 GLY 555 HA3 GLY 555 6.182 15.474 3.958 199 H GLY 556 H GLY 556 3.895 13.394 5.762 200 HA2 GLY 556 HA2 GLY 556 2.116 15.708 6.045 201 HA3 GLY 556 HA3 GLY 556 1.452 14.228 5.383 202 H SER 557 H SER 557 1.240 12.331 6.709 203 HA SER 557 HA SER 557 2.245 12.333 9.338 204 HB2 SER 557 HB2 SER 557 0.456 13.878 9.835 205 HB3 SER 557 HB3 SER 557 -0.704 12.946 8.910 206 HG SER 557 HG SER 557 -1.167 12.163 10.873 207 H TRP 558 H TRP 558 0.817 10.416 10.597 208 HA TRP 558 HA TRP 558 0.721 8.256 8.611 209 HB2 TRP 558 HB2 TRP 558 1.577 8.397 11.474 210 HB3 TRP 558 HB3 TRP 558 0.928 6.892 10.853 211 HD1 TRP 558 HD TRP 558 4.092 8.960 10.819 212 HE1 TRP 558 HE1 TRP 558 6.025 7.813 9.438 213 HE3 TRP 558 HE3 TRP 558 1.167 5.383 8.697 214 HZ2 TRP 558 HZ2 TRP 558 6.113 5.588 7.653 215 HZ3 TRP 558 HZ3 TRP 558 2.255 3.762 7.147 216 HH2 TRP 558 HH TRP 558 4.640 3.824 6.614 217 H THR 559 H THR 559 -1.352 7.783 8.016 218 HA THR 559 HA THR 559 -3.635 8.719 9.166 219 HB THR 559 HB THR 559 -3.370 5.970 7.862 220 HG1 THR 559 HG1 THR 559 -3.450 8.667 6.709 221 HG21 THR 559 HG21 THR 559 -5.426 8.234 7.794 222 HG22 THR 559 HG22 THR 559 -5.410 6.908 6.608 223 HG23 THR 559 HG23 THR 559 -5.687 6.557 8.331 224 H ALA 560 H ALA 560 -5.448 7.265 10.157 225 HA ALA 560 HA ALA 560 -4.528 6.588 12.740 226 HB1 ALA 560 HB1 ALA 560 -6.870 7.430 11.739 227 HB2 ALA 560 HB2 ALA 560 -7.200 5.681 11.736 228 HB3 ALA 560 HB3 ALA 560 -6.771 6.503 13.255 229 H ALA 561 H ALA 561 -3.259 4.826 13.096 230 HA ALA 561 HA ALA 561 -3.365 2.554 11.397 231 HB1 ALA 561 HB1 ALA 561 -2.119 2.668 14.156 232 HB2 ALA 561 HB2 ALA 561 -1.579 1.762 12.722 233 HB3 ALA 561 HB3 ALA 561 -1.398 3.532 12.777 234 HA PRO 562 HA PRO 562 -3.282 0.711 11.215 235 HB2 PRO 562 HB2 PRO 562 -4.868 -1.137 9.976 236 HB3 PRO 562 HB3 PRO 562 -3.711 -1.551 11.225 237 HG2 PRO 562 HG2 PRO 562 -6.656 -1.375 11.412 238 HG3 PRO 562 HG3 PRO 562 -5.534 -2.180 12.491 239 HD2 PRO 562 HD2 PRO 562 -6.844 0.332 12.940 240 HD3 PRO 562 HD3 PRO 562 -5.635 -0.418 13.964 241 H GLY 563 H GLY 563 -3.052 1.345 9.061 242 HA2 GLY 563 HA2 GLY 563 -4.367 3.567 8.269 243 HA3 GLY 563 HA3 GLY 563 -3.681 2.395 7.161 244 H VAL 564 H VAL 564 -5.029 1.152 5.869 245 HA VAL 564 HA VAL 564 -7.858 1.076 6.596 246 HB VAL 564 HB VAL 564 -7.097 1.596 3.755 247 HG11 VAL 564 HG11 VAL 564 -9.372 1.144 3.968 248 HG12 VAL 564 HG12 VAL 564 -9.505 2.007 5.520 249 HG13 VAL 564 HG13 VAL 564 -9.326 2.923 4.004 250 HG21 VAL 564 HG21 VAL 564 -7.332 3.763 5.871 251 HG22 VAL 564 HG22 VAL 564 -5.864 3.324 4.965 252 HG23 VAL 564 HG23 VAL 564 -7.257 4.032 4.113 253 H LYS 565 H LYS 565 -9.038 -0.664 5.409 254 HA LYS 565 HA LYS 565 -7.314 -2.961 5.198 255 HB2 LYS 565 HB2 LYS 565 -9.622 -2.791 6.367 256 HB3 LYS 565 HB3 LYS 565 -10.297 -2.930 4.756 257 HG2 LYS 565 HG2 LYS 565 -8.161 -4.904 5.556 258 HG3 LYS 565 HG3 LYS 565 -9.755 -5.098 6.260 259 HD2 LYS 565 HD2 LYS 565 -10.777 -5.157 3.995 260 HD3 LYS 565 HD3 LYS 565 -9.209 -4.885 3.261 261 HE2 LYS 565 HE2 LYS 565 -8.376 -7.028 4.284 262 HE3 LYS 565 HE3 LYS 565 -9.965 -7.305 4.969 263 HZ2 LYS 565 HZ2 LYS 565 -9.553 -6.945 2.054 264 HZ3 LYS 565 HZ3 LYS 565 -9.535 -8.411 2.761 265 H MET 566 H MET 566 -6.395 -3.653 3.347 266 HA MET 566 HA MET 566 -6.364 -2.426 1.035 267 HB2 MET 566 HB2 MET 566 -5.671 -4.997 2.006 268 HB3 MET 566 HB3 MET 566 -6.646 -5.343 0.591 269 HG2 MET 566 HG2 MET 566 -4.758 -4.979 -0.633 270 HG3 MET 566 HG3 MET 566 -5.002 -3.273 -0.314 271 HE1 MET 566 HE1 MET 566 -1.241 -3.684 0.123 272 HE2 MET 566 HE2 MET 566 -2.584 -3.540 -1.035 273 HE3 MET 566 HE3 MET 566 -2.319 -2.269 0.183 274 H GLN 567 H GLN 567 -7.648 -2.014 -0.746 275 HA GLN 567 HA GLN 567 -10.356 -2.980 -0.548 276 HB2 GLN 567 HB2 GLN 567 -9.168 -0.543 -1.350 277 HB3 GLN 567 HB3 GLN 567 -9.803 -1.232 -2.830 278 HG2 GLN 567 HG2 GLN 567 -11.505 -1.161 -0.314 279 HG3 GLN 567 HG3 GLN 567 -11.380 0.254 -1.340 280 HE21 GLN 567 HE12 GLN 567 -13.474 -1.903 -0.665 281 HE22 GLN 567 HE22 GLN 567 -14.153 -2.344 -2.196 282 H ASP 568 H ASP 568 -10.822 -4.909 -1.513 283 HA ASP 568 HA ASP 568 -9.342 -6.399 -3.060 284 HB2 ASP 568 HB2 ASP 568 -11.252 -7.619 -3.442 285 HB3 ASP 568 HB3 ASP 568 -11.950 -6.477 -2.312 286 HD2 ASP 568 HD ASP 568 -14.196 -5.321 -4.135 287 H ALA 569 H ALA 569 -8.945 -6.692 -5.378 288 HA ALA 569 HA ALA 569 -8.977 -4.223 -6.844 289 HB1 ALA 569 HB1 ALA 569 -7.602 -5.417 -8.413 290 HB2 ALA 569 HB2 ALA 569 -7.085 -5.919 -6.786 291 HB3 ALA 569 HB3 ALA 569 -8.117 -6.991 -7.762 292 H GLU 570 H GLU 570 -9.253 -5.998 -9.406 293 HA GLU 570 HA GLU 570 -12.151 -6.254 -9.296 294 HB2 GLU 570 HB2 GLU 570 -12.381 -5.166 -11.467 295 HB3 GLU 570 HB3 GLU 570 -11.534 -4.086 -10.377 296 HG2 GLU 570 HG2 GLU 570 -9.886 -3.940 -11.929 297 HG3 GLU 570 HG3 GLU 570 -9.469 -5.600 -11.553 298 HE2 GLU 570 HE GLU 570 -9.756 -7.005 -13.217 299 H ILE 571 H ILE 571 -9.382 -7.905 -9.485 300 HA ILE 571 HA ILE 571 -9.983 -9.452 -11.863 301 HB ILE 571 HB ILE 571 -7.748 -9.572 -9.839 302 HG12 ILE 571 HG11 ILE 571 -7.113 -8.977 -12.636 303 HG13 ILE 571 HG12 ILE 571 -8.176 -7.784 -11.917 304 HG21 ILE 571 HG21 ILE 571 -8.434 -11.793 -10.918 305 HG22 ILE 571 HG22 ILE 571 -7.829 -11.095 -12.440 306 HG23 ILE 571 HG23 ILE 571 -6.731 -11.294 -11.054 307 HD11 ILE 571 HD11 ILE 571 -6.604 -7.114 -10.337 308 HD12 ILE 571 HD12 ILE 571 -5.826 -8.714 -10.280 309 HD13 ILE 571 HD13 ILE 571 -5.515 -7.622 -11.650 310 H SER 572 H SER 572 -8.794 -10.881 -8.823 311 HA SER 572 HA SER 572 -11.138 -11.778 -7.786 312 HB2 SER 572 HB2 SER 572 -10.636 -13.087 -10.262 313 HB3 SER 572 HB3 SER 572 -10.246 -14.263 -9.023 314 HG SER 572 HG SER 572 -12.679 -12.748 -8.832 315 H GLY 573 H GLY 573 -10.097 -11.679 -5.791 316 HA2 GLY 573 HA2 GLY 573 -9.026 -12.869 -4.101 317 HA3 GLY 573 HA3 GLY 573 -8.073 -13.737 -5.288 318 H TYR 574 H TYR 574 -8.199 -10.462 -6.208 319 HA TYR 574 HA TYR 574 -5.552 -10.030 -5.020 320 HB2 TYR 574 HB2 TYR 574 -7.068 -9.382 -7.546 321 HB3 TYR 574 HB3 TYR 574 -6.046 -8.082 -6.966 322 HD1 TYR 574 HD1 TYR 574 -5.723 -11.814 -7.334 323 HD2 TYR 574 HD2 TYR 574 -3.983 -7.963 -8.001 324 HE1 TYR 574 HE1 TYR 574 -3.704 -12.908 -8.424 325 HE2 TYR 574 HE2 TYR 574 -1.969 -9.070 -9.089 326 HH TYR 574 HH TYR 574 -1.083 -10.919 -9.766 327 H ALA 575 H ALA 575 -5.003 -7.783 -4.353 328 HA ALA 575 HA ALA 575 -7.395 -6.348 -3.421 329 HB1 ALA 575 HB1 ALA 575 -6.067 -7.677 -1.664 330 HB2 ALA 575 HB2 ALA 575 -4.759 -6.499 -1.927 331 HB3 ALA 575 HB3 ALA 575 -6.343 -5.952 -1.327 332 H LYS 576 H LYS 576 -7.071 -3.991 -3.165 333 HA LYS 576 HA LYS 576 -4.705 -2.875 -4.357 334 HB2 LYS 576 HB2 LYS 576 -5.662 -1.898 -6.261 335 HB3 LYS 576 HB3 LYS 576 -6.216 -3.560 -6.291 336 HG2 LYS 576 HG2 LYS 576 -8.404 -2.943 -5.434 337 HG3 LYS 576 HG3 LYS 576 -7.866 -1.321 -5.043 338 HD2 LYS 576 HD2 LYS 576 -7.467 -2.072 -7.894 339 HD3 LYS 576 HD3 LYS 576 -9.147 -2.045 -7.394 340 HE2 LYS 576 HE2 LYS 576 -8.840 0.191 -8.019 341 HE3 LYS 576 HE3 LYS 576 -8.516 0.285 -6.299 342 HZ2 LYS 576 HZ2 LYS 576 -6.565 0.314 -8.508 343 HZ3 LYS 576 HZ3 LYS 576 -6.680 1.337 -7.246 344 H ILE 577 H ILE 577 -4.638 -0.504 -4.083 345 HA ILE 577 HA ILE 577 -6.716 0.560 -2.351 346 HB ILE 577 HB ILE 577 -5.319 1.137 -0.585 347 HG12 ILE 577 HG11 ILE 577 -2.749 0.080 -1.500 348 HG13 ILE 577 HG12 ILE 577 -3.319 1.402 -2.499 349 HG21 ILE 577 HG21 ILE 577 -5.946 -1.154 -0.404 350 HG22 ILE 577 HG22 ILE 577 -4.645 -1.665 -1.506 351 HG23 ILE 577 HG23 ILE 577 -4.246 -1.026 0.106 352 HD11 ILE 577 HD11 ILE 577 -2.490 1.410 0.367 353 HD12 ILE 577 HD12 ILE 577 -2.351 2.690 -0.862 354 HD13 ILE 577 HD13 ILE 577 -3.901 2.420 -0.029 355 H THR 578 H THR 578 -6.748 2.901 -2.316 356 HA THR 578 HA THR 578 -5.014 4.122 -4.354 357 HB THR 578 HB THR 578 -7.964 4.806 -4.023 358 HG1 THR 578 HG1 THR 578 -7.925 2.578 -4.574 359 HG21 THR 578 HG21 THR 578 -6.197 6.150 -5.480 360 HG22 THR 578 HG22 THR 578 -6.318 4.752 -6.575 361 HG23 THR 578 HG23 THR 578 -7.765 5.719 -6.204 362 H VAL 579 H VAL 579 -3.931 5.857 -3.661 363 HA VAL 579 HA VAL 579 -5.085 7.308 -1.389 364 HB VAL 579 HB VAL 579 -2.226 6.389 -1.738 365 HG11 VAL 579 HG11 VAL 579 -3.458 8.484 0.007 366 HG12 VAL 579 HG12 VAL 579 -2.176 7.460 0.698 367 HG13 VAL 579 HG13 VAL 579 -1.853 8.430 -0.760 368 HG21 VAL 579 HG21 VAL 579 -4.525 5.303 -0.328 369 HG22 VAL 579 HG22 VAL 579 -2.918 4.591 -0.607 370 HG23 VAL 579 HG23 VAL 579 -3.187 5.662 0.789 371 H ASP 580 H ASP 580 -4.995 9.533 -1.562 372 HA ASP 580 HA ASP 580 -4.206 10.490 -4.132 373 HB2 ASP 580 HB2 ASP 580 -6.229 11.431 -3.290 374 HB3 ASP 580 HB3 ASP 580 -5.557 11.677 -1.690 375 HD2 ASP 580 HD ASP 580 -4.120 14.591 -2.228 376 H ILE 581 H ILE 581 -2.617 12.267 -4.423 377 HA ILE 581 HA ILE 581 -1.053 13.087 -2.164 378 HB ILE 581 HB ILE 581 1.063 12.225 -2.966 379 HG12 ILE 581 HG11 ILE 581 -0.433 10.527 -4.970 380 HG13 ILE 581 HG12 ILE 581 0.261 12.079 -5.397 381 HG21 ILE 581 HG21 ILE 581 0.802 9.929 -2.281 382 HG22 ILE 581 HG22 ILE 581 -0.270 10.959 -1.302 383 HG23 ILE 581 HG23 ILE 581 -0.943 9.980 -2.628 384 HD11 ILE 581 HD11 ILE 581 2.282 11.099 -5.650 385 HD12 ILE 581 HD12 ILE 581 2.268 10.639 -3.931 386 HD13 ILE 581 HD13 ILE 581 1.592 9.536 -5.154 387 H GLY 582 H GLY 582 -2.750 14.560 -3.772 388 HA2 GLY 582 HA2 GLY 582 -1.754 15.625 -6.115 389 HA3 GLY 582 HA3 GLY 582 -2.782 16.462 -4.969 390 H SER 583 H SER 583 -0.533 15.935 -2.833 391 HA SER 583 HA SER 583 1.286 17.981 -3.830 392 HB2 SER 583 HB2 SER 583 -0.460 18.015 -1.439 393 HB3 SER 583 HB3 SER 583 1.212 18.398 -1.078 394 HG SER 583 HG SER 583 -0.466 20.147 -1.878 395 H ALA 584 H ALA 584 1.649 15.111 -3.920 396 HA ALA 584 HA ALA 584 4.050 14.944 -2.324 397 HB1 ALA 584 HB1 ALA 584 3.120 13.717 -0.684 398 HB2 ALA 584 HB2 ALA 584 1.562 13.647 -1.543 399 HB3 ALA 584 HB3 ALA 584 2.826 12.444 -1.892 400 H SER 585 H SER 585 5.593 13.566 -3.275 401 HA SER 585 HA SER 585 4.709 12.482 -5.834 402 HB2 SER 585 HB2 SER 585 6.910 14.208 -5.125 403 HB3 SER 585 HB3 SER 585 7.576 12.695 -5.707 404 HG SER 585 HG SER 585 7.265 13.755 -7.593 405 H GLN 586 H GLN 586 5.486 11.643 -2.683 406 HA GLN 586 HA GLN 586 6.016 8.949 -3.504 407 HB2 GLN 586 HB2 GLN 586 8.075 10.690 -2.224 408 HB3 GLN 586 HB3 GLN 586 7.903 9.094 -1.522 409 HG2 GLN 586 HG2 GLN 586 8.737 8.030 -3.386 410 HG3 GLN 586 HG3 GLN 586 7.929 9.116 -4.499 411 HE21 GLN 586 HE12 GLN 586 10.663 8.125 -4.490 412 HE22 GLN 586 HE22 GLN 586 11.718 9.499 -4.466 413 H LEU 587 H LEU 587 5.212 7.433 -2.004 414 HA LEU 587 HA LEU 587 4.378 8.475 0.588 415 HB2 LEU 587 HB2 LEU 587 2.365 8.823 -0.421 416 HB3 LEU 587 HB3 LEU 587 2.594 7.548 -1.602 417 HG LEU 587 HG LEU 587 2.339 6.600 1.184 418 HD11 LEU 587 HD11 LEU 587 0.294 7.347 1.728 419 HD12 LEU 587 HD12 LEU 587 0.673 8.675 0.605 420 HD13 LEU 587 HD13 LEU 587 -0.293 7.287 0.049 421 HD21 LEU 587 HD21 LEU 587 0.450 5.530 -0.718 422 HD22 LEU 587 HD22 LEU 587 2.088 5.563 -1.414 423 HD23 LEU 587 HD23 LEU 587 1.793 4.726 0.129 424 H GLU 588 H GLU 588 4.420 6.927 2.240 425 HA GLU 588 HA GLU 588 5.710 4.464 1.417 426 HB2 GLU 588 HB2 GLU 588 6.079 4.315 4.009 427 HB3 GLU 588 HB3 GLU 588 7.030 5.454 3.078 428 HG2 GLU 588 HG2 GLU 588 4.390 6.436 4.132 429 HG3 GLU 588 HG3 GLU 588 5.661 6.170 5.309 430 HE2 GLU 588 HE GLU 588 7.965 7.778 4.212 431 H ALA 589 H ALA 589 4.929 2.386 2.095 432 HA ALA 589 HA ALA 589 2.310 2.390 3.393 433 HB1 ALA 589 HB1 ALA 589 2.191 2.339 0.804 434 HB2 ALA 589 HB2 ALA 589 2.862 0.696 0.943 435 HB3 ALA 589 HB3 ALA 589 1.300 1.087 1.702 436 H ALA 590 H ALA 590 1.949 0.574 4.711 437 HA ALA 590 HA ALA 590 4.155 -1.365 4.776 438 HB1 ALA 590 HB1 ALA 590 4.622 -0.866 6.925 439 HB2 ALA 590 HB2 ALA 590 3.658 0.611 6.689 440 HB3 ALA 590 HB3 ALA 590 2.899 -0.847 7.371 441 H PHE 591 H PHE 591 3.513 -3.482 5.717 442 HA PHE 591 HA PHE 591 0.626 -3.919 5.402 443 HB2 PHE 591 HB2 PHE 591 3.123 -5.480 4.551 444 HB3 PHE 591 HB3 PHE 591 1.578 -6.295 4.691 445 HD1 PHE 591 HD2 PHE 591 2.777 -3.075 3.204 446 HD2 PHE 591 HD1 PHE 591 0.533 -6.638 2.678 447 HE1 PHE 591 HE2 PHE 591 2.188 -2.360 0.871 448 HE2 PHE 591 HE1 PHE 591 -0.056 -5.923 0.345 449 HZ PHE 591 HZ PHE 591 0.779 -3.793 -0.531 450 H ASN 592 H ASN 592 -0.387 -4.831 7.136 451 HA ASN 592 HA ASN 592 1.275 -6.375 8.945 452 HB2 ASN 592 HB2 ASN 592 0.087 -5.277 10.896 453 HB3 ASN 592 HB3 ASN 592 1.114 -4.170 10.007 454 HD21 ASN 592 HD21 ASN 592 0.292 -2.339 9.322 455 HD22 ASN 592 HD22 ASN 592 -1.387 -1.934 9.190 456 H ASP 593 H ASP 593 -0.142 -7.802 10.397 457 HA ASP 593 HA ASP 593 -2.325 -8.774 8.853 458 HB2 ASP 593 HB2 ASP 593 -2.425 -10.551 10.576 459 HB3 ASP 593 HB3 ASP 593 -0.786 -10.328 9.997 460 HD2 ASP 593 HD ASP 593 -1.824 -10.369 13.613 461 H GLY 594 H GLY 594 -1.714 -6.869 11.808 462 HA2 GLY 594 HA2 GLY 594 -4.290 -5.774 11.914 463 HA3 GLY 594 HA3 GLY 594 -4.226 -7.110 13.047 464 H ASN 595 H ASN 595 -1.587 -7.031 13.993 465 HA ASN 595 HA ASN 595 -0.517 -4.617 14.554 466 HB2 ASN 595 HB2 ASN 595 -2.487 -3.840 15.713 467 HB3 ASN 595 HB3 ASN 595 -2.732 -5.385 16.504 468 HD21 ASN 595 HD21 ASN 595 -2.406 -5.222 18.578 469 HD22 ASN 595 HD22 ASN 595 -1.128 -4.372 19.382 470 H ASN 596 H ASN 596 1.130 -6.408 14.250 471 HA ASN 596 HA ASN 596 2.291 -7.140 16.611 472 HB2 ASN 596 HB2 ASN 596 1.949 -9.720 16.358 473 HB3 ASN 596 HB3 ASN 596 0.650 -8.805 17.097 474 HD21 ASN 596 HD21 ASN 596 1.478 -11.009 14.748 475 HD22 ASN 596 HD22 ASN 596 0.060 -10.968 13.754 476 H ASN 597 H ASN 597 1.523 -7.998 13.201 477 HA ASN 597 HA ASN 597 4.359 -8.564 12.820 478 HB2 ASN 597 HB2 ASN 597 1.859 -9.823 11.729 479 HB3 ASN 597 HB3 ASN 597 3.165 -9.624 10.577 480 HD21 ASN 597 HD21 ASN 597 2.433 -12.102 11.094 481 HD22 ASN 597 HD22 ASN 597 3.571 -12.953 12.084 482 H TRP 598 H TRP 598 5.373 -6.945 11.626 483 HA TRP 598 HA TRP 598 3.702 -5.454 9.720 484 HB2 TRP 598 HB2 TRP 598 5.865 -4.404 11.550 485 HB3 TRP 598 HB3 TRP 598 5.172 -3.498 10.219 486 HD1 TRP 598 HD TRP 598 3.881 -5.208 13.492 487 HE1 TRP 598 HE1 TRP 598 1.860 -3.849 14.506 488 HE3 TRP 598 HE3 TRP 598 3.610 -1.791 9.736 489 HZ2 TRP 598 HZ2 TRP 598 0.407 -1.549 13.644 490 HZ3 TRP 598 HZ3 TRP 598 1.862 -0.022 9.899 491 HH2 TRP 598 HH TRP 598 0.294 0.132 11.768 492 H ASP 599 H ASP 599 4.650 -5.101 7.674 493 HA ASP 599 HA ASP 599 7.307 -6.257 7.369 494 HB2 ASP 599 HB2 ASP 599 4.894 -6.539 5.517 495 HB3 ASP 599 HB3 ASP 599 6.519 -7.017 5.067 496 HD2 ASP 599 HD ASP 599 5.960 -10.132 6.295 497 H SER 600 H SER 600 7.639 -3.744 7.698 498 HA SER 600 HA SER 600 6.811 -2.151 5.480 499 HB2 SER 600 HB2 SER 600 6.947 -0.624 7.145 500 HB3 SER 600 HB3 SER 600 7.860 -1.720 8.163 501 HG SER 600 HG SER 600 9.012 0.281 7.574 502 H ASN 601 H ASN 601 10.094 -2.530 6.999 503 HA ASN 601 HA ASN 601 11.352 -3.704 4.914 504 HB2 ASN 601 HB2 ASN 601 10.864 -1.864 3.420 505 HB3 ASN 601 HB3 ASN 601 11.233 -0.667 4.645 506 HD21 ASN 601 HD21 ASN 601 13.040 0.357 4.318 507 HD22 ASN 601 HD22 ASN 601 14.501 -0.268 3.629 508 H ASN 602 H ASN 602 11.376 -1.050 7.341 509 HA ASN 602 HA ASN 602 13.331 -2.243 8.870 510 HB2 ASN 602 HB2 ASN 602 14.485 -0.917 6.666 511 HB3 ASN 602 HB3 ASN 602 14.619 0.264 7.954 512 HD21 ASN 602 HD21 ASN 602 16.688 -1.244 6.597 513 HD22 ASN 602 HD22 ASN 602 17.558 -2.145 7.793 514 H THR 603 H THR 603 12.167 0.975 7.631 515 HA THR 603 HA THR 603 10.751 1.635 9.930 516 HB THR 603 HB THR 603 13.404 1.710 10.561 517 HG1 THR 603 HG1 THR 603 11.363 3.724 11.196 518 HG21 THR 603 HG21 THR 603 12.667 4.553 9.691 519 HG22 THR 603 HG22 THR 603 14.157 4.056 10.528 520 HG23 THR 603 HG23 THR 603 13.861 3.533 8.852 521 H LYS 604 H LYS 604 12.721 2.776 7.158 522 HA LYS 604 HA LYS 604 10.906 5.020 6.834 523 HB2 LYS 604 HB2 LYS 604 12.476 5.769 5.133 524 HB3 LYS 604 HB3 LYS 604 13.312 5.416 6.632 525 HG2 LYS 604 HG2 LYS 604 14.637 3.916 5.572 526 HG3 LYS 604 HG3 LYS 604 13.234 2.978 5.101 527 HD2 LYS 604 HD2 LYS 604 12.941 4.289 3.063 528 HD3 LYS 604 HD3 LYS 604 14.145 5.456 3.572 529 HE2 LYS 604 HE2 LYS 604 15.546 3.036 3.704 530 HE3 LYS 604 HE3 LYS 604 14.516 2.807 2.304 531 HZ2 LYS 604 HZ2 LYS 604 15.437 4.713 1.270 532 HZ3 LYS 604 HZ3 LYS 604 16.117 5.276 2.638 533 H ASN 605 H ASN 605 10.497 1.878 6.367 534 HA ASN 605 HA ASN 605 9.574 0.568 4.873 535 HB2 ASN 605 HB2 ASN 605 7.797 2.515 5.606 536 HB3 ASN 605 HB3 ASN 605 7.797 2.786 3.875 537 HD21 ASN 605 HD21 ASN 605 5.824 1.651 5.837 538 HD22 ASN 605 HD22 ASN 605 5.302 0.142 5.164 539 H TYR 606 H TYR 606 8.083 1.584 2.385 540 HA TYR 606 HA TYR 606 10.466 2.099 0.739 541 HB2 TYR 606 HB2 TYR 606 7.829 0.577 0.485 542 HB3 TYR 606 HB3 TYR 606 8.591 1.156 -0.983 543 HD1 TYR 606 HD1 TYR 606 11.370 0.657 -0.785 544 HD2 TYR 606 HD2 TYR 606 8.168 -1.686 0.816 545 HE1 TYR 606 HE1 TYR 606 12.852 -1.408 -0.823 546 HE2 TYR 606 HE2 TYR 606 9.661 -3.743 0.772 547 HH TYR 606 HH TYR 606 11.573 -4.564 0.192 548 H LEU 607 H LEU 607 10.073 3.391 -1.274 549 HA LEU 607 HA LEU 607 8.079 5.470 -0.707 550 HB2 LEU 607 HB2 LEU 607 10.890 5.523 -1.523 551 HB3 LEU 607 HB3 LEU 607 9.858 6.524 -2.526 552 HG LEU 607 HG LEU 607 9.080 7.762 -0.575 553 HD11 LEU 607 HD11 LEU 607 9.354 7.159 1.569 554 HD12 LEU 607 HD12 LEU 607 9.674 5.544 0.891 555 HD13 LEU 607 HD13 LEU 607 11.030 6.617 1.315 556 HD21 LEU 607 HD21 LEU 607 11.637 7.862 -1.692 557 HD22 LEU 607 HD22 LEU 607 10.814 9.139 -0.764 558 HD23 LEU 607 HD23 LEU 607 11.900 7.997 0.064 559 H PHE 608 H PHE 608 6.334 5.506 -2.011 560 HA PHE 608 HA PHE 608 6.698 4.420 -4.714 561 HB2 PHE 608 HB2 PHE 608 4.186 4.339 -2.947 562 HB3 PHE 608 HB3 PHE 608 4.422 3.472 -4.451 563 HD1 PHE 608 HD2 PHE 608 6.425 1.766 -4.458 564 HD2 PHE 608 HD1 PHE 608 4.545 3.231 -0.947 565 HE1 PHE 608 HE2 PHE 608 7.264 -0.224 -3.179 566 HE2 PHE 608 HE1 PHE 608 5.383 1.240 0.332 567 HZ PHE 608 HZ PHE 608 6.733 -0.463 -0.799 568 H SER 609 H SER 609 5.698 5.547 -6.412 569 HA SER 609 HA SER 609 4.527 8.082 -5.572 570 HB2 SER 609 HB2 SER 609 6.564 8.477 -6.801 571 HB3 SER 609 HB3 SER 609 6.134 7.311 -8.037 572 HG SER 609 HG SER 609 4.705 8.715 -8.955 573 H THR 610 H THR 610 2.977 8.992 -7.420 574 HA THR 610 HA THR 610 0.742 7.436 -7.554 575 HB THR 610 HB THR 610 0.046 9.061 -9.317 576 HG1 THR 610 HG1 THR 610 2.204 8.890 -10.400 577 HG21 THR 610 HG21 THR 610 0.543 9.839 -6.827 578 HG22 THR 610 HG22 THR 610 1.968 10.618 -7.554 579 HG23 THR 610 HG23 THR 610 0.333 11.073 -8.092 580 H GLY 611 H GLY 611 -0.378 6.594 -9.595 581 HA2 GLY 611 HA2 GLY 611 -0.085 5.567 -11.728 582 HA3 GLY 611 HA3 GLY 611 1.562 5.156 -11.292 583 H THR 612 H THR 612 1.243 2.895 -11.698 584 HA THR 612 HA THR 612 -0.523 1.586 -9.734 585 HB THR 612 HB THR 612 0.382 0.509 -12.449 586 HG1 THR 612 HG1 THR 612 -1.540 1.512 -13.200 587 HG21 THR 612 HG21 THR 612 -1.837 -0.174 -10.459 588 HG22 THR 612 HG22 THR 612 -1.870 -0.718 -12.154 589 HG23 THR 612 HG23 THR 612 -0.562 -1.255 -11.072 590 H SER 613 H SER 613 0.301 0.074 -8.370 591 HA SER 613 HA SER 613 3.017 -0.784 -8.904 592 HB2 SER 613 HB2 SER 613 2.490 1.228 -7.059 593 HB3 SER 613 HB3 SER 613 2.496 -0.201 -6.045 594 HG SER 613 HG SER 613 4.626 0.963 -6.485 595 H THR 614 H THR 614 3.611 -2.751 -7.579 596 HA THR 614 HA THR 614 1.260 -4.141 -6.504 597 HB THR 614 HB THR 614 3.284 -5.513 -8.320 598 HG1 THR 614 HG1 THR 614 2.386 -3.996 -9.723 599 HG21 THR 614 HG21 THR 614 1.629 -6.912 -7.017 600 HG22 THR 614 HG22 THR 614 0.308 -5.982 -7.762 601 HG23 THR 614 HG23 THR 614 1.359 -7.001 -8.774 602 H TYR 615 H TYR 615 1.661 -4.509 -4.420 603 HA TYR 615 HA TYR 615 4.449 -4.940 -3.642 604 HB2 TYR 615 HB2 TYR 615 2.638 -3.236 -2.652 605 HB3 TYR 615 HB3 TYR 615 1.940 -4.657 -1.901 606 HD1 TYR 615 HD1 TYR 615 3.807 -6.185 -0.631 607 HD2 TYR 615 HD2 TYR 615 4.080 -1.976 -1.351 608 HE1 TYR 615 HE1 TYR 615 5.434 -5.951 1.309 609 HE2 TYR 615 HE2 TYR 615 5.706 -1.757 0.592 610 HH TYR 615 HH TYR 615 6.117 -3.119 2.756 611 H THR 616 H THR 616 5.132 -7.013 -3.481 612 HA THR 616 HA THR 616 3.114 -9.031 -2.754 613 HB THR 616 HB THR 616 5.739 -9.221 -4.325 614 HG1 THR 616 HG1 THR 616 2.912 -9.656 -4.976 615 HG21 THR 616 HG21 THR 616 5.217 -11.355 -3.101 616 HG22 THR 616 HG22 THR 616 3.571 -11.317 -3.776 617 HG23 THR 616 HG23 THR 616 4.971 -11.528 -4.855 618 HA PRO 617 HA PRO 617 5.477 -8.995 0.953 619 HB2 PRO 617 HB2 PRO 617 3.501 -9.968 2.571 620 HB3 PRO 617 HB3 PRO 617 3.734 -8.258 2.265 621 HG2 PRO 617 HG2 PRO 617 1.659 -10.067 1.188 622 HG3 PRO 617 HG3 PRO 617 1.667 -8.316 1.243 623 HD2 PRO 617 HD2 PRO 617 2.180 -9.963 -1.049 624 HD3 PRO 617 HD3 PRO 617 2.301 -8.216 -0.964 625 H GLY 618 H GLY 618 6.323 -10.591 2.480 626 HA2 GLY 618 HA2 GLY 618 6.721 -13.063 1.054 627 HA3 GLY 618 HA3 GLY 618 7.435 -12.572 2.578 628 H SER 619 H SER 619 6.986 -14.785 3.354 629 HA SER 619 HA SER 619 4.183 -15.023 4.127 630 HB2 SER 619 HB2 SER 619 4.997 -17.616 4.205 631 HB3 SER 619 HB3 SER 619 4.241 -16.888 2.802 632 HG SER 619 HG SER 619 6.094 -16.983 1.707 633 H ASN 620 H ASN 620 7.609 -15.977 4.866 634 HA ASN 620 HA ASN 620 6.830 -16.284 7.635 635 HB2 ASN 620 HB2 ASN 620 9.074 -17.249 5.900 636 HB3 ASN 620 HB3 ASN 620 9.533 -16.866 7.547 637 HD21 ASN 620 HD21 ASN 620 9.925 -18.971 8.104 638 HD22 ASN 620 HD22 ASN 620 8.685 -20.158 8.339 639 H GLY 621 H GLY 621 6.533 -13.754 7.513 640 HA2 GLY 621 HA2 GLY 621 7.304 -11.635 7.764 641 HA3 GLY 621 HA3 GLY 621 8.285 -12.388 9.006 642 H ALA 622 H ALA 622 8.378 -12.538 5.372 643 HA ALA 622 HA ALA 622 11.142 -11.552 5.555 644 HB1 ALA 622 HB1 ALA 622 9.947 -13.797 3.897 645 HB2 ALA 622 HB2 ALA 622 11.506 -13.035 3.498 646 HB3 ALA 622 HB3 ALA 622 11.300 -13.879 5.052 647 H ALA 623 H ALA 623 10.986 -9.449 4.889 648 HA ALA 623 HA ALA 623 9.074 -8.255 3.449 649 HB1 ALA 623 HB1 ALA 623 11.132 -6.844 2.543 650 HB2 ALA 623 HB2 ALA 623 10.707 -6.830 4.271 651 HB3 ALA 623 HB3 ALA 623 12.044 -7.852 3.692 652 H GLY 624 H GLY 624 8.723 -7.706 1.198 653 HA2 GLY 624 HA2 GLY 624 9.837 -9.744 -0.636 654 HA3 GLY 624 HA3 GLY 624 8.210 -9.098 -0.725 655 H THR 625 H THR 625 8.097 -7.912 -2.595 656 HA THR 625 HA THR 625 9.808 -5.587 -2.789 657 HB THR 625 HB THR 625 10.348 -6.316 -5.240 658 HG1 THR 625 HG1 THR 625 8.780 -8.141 -5.054 659 HG21 THR 625 HG21 THR 625 11.890 -6.555 -3.034 660 HG22 THR 625 HG22 THR 625 11.610 -8.287 -3.333 661 HG23 THR 625 HG23 THR 625 12.380 -7.281 -4.583 662 H ILE 626 H ILE 626 9.102 -4.154 -4.643 663 HA ILE 626 HA ILE 626 6.226 -4.558 -5.092 664 HB ILE 626 HB ILE 626 7.309 -1.805 -4.996 665 HG12 ILE 626 HG11 ILE 626 6.724 -2.071 -2.379 666 HG13 ILE 626 HG12 ILE 626 7.393 -3.664 -2.673 667 HG21 ILE 626 HG21 ILE 626 4.750 -3.233 -4.592 668 HG22 ILE 626 HG22 ILE 626 5.030 -1.823 -3.543 669 HG23 ILE 626 HG23 ILE 626 5.085 -1.640 -5.312 670 HD11 ILE 626 HD11 ILE 626 9.503 -2.843 -2.774 671 HD12 ILE 626 HD12 ILE 626 9.028 -1.620 -3.976 672 HD13 ILE 626 HD13 ILE 626 8.840 -1.279 -2.239 673 H ARG 627 H ARG 627 5.651 -4.702 -7.194 674 HA ARG 627 HA ARG 627 7.661 -3.817 -9.097 675 HB2 ARG 627 HB2 ARG 627 6.608 -6.297 -8.913 676 HB3 ARG 627 HB3 ARG 627 5.343 -5.585 -9.896 677 HG2 ARG 627 HG2 ARG 627 6.652 -5.917 -11.717 678 HG3 ARG 627 HG3 ARG 627 7.747 -4.697 -11.096 679 HD2 ARG 627 HD1 ARG 627 8.420 -6.959 -9.584 680 HD3 ARG 627 HD2 ARG 627 8.058 -7.639 -11.158 681 HE ARG 627 HE ARG 627 9.720 -5.283 -11.428 682 HH11 ARG 627 HH22 ARG 627 9.859 -8.714 -10.554 683 HH12 ARG 627 HH21 ARG 627 11.525 -8.886 -10.993 684 HH22 ARG 627 HH1 ARG 627 12.717 -6.988 -11.845 685 H THR 628 H THR 628 7.181 -2.021 -10.332 686 HA THR 628 HA THR 628 4.584 -0.822 -10.080 687 HB THR 628 HB THR 628 6.322 0.402 -12.065 688 HG1 THR 628 HG1 THR 628 8.259 0.306 -10.857 689 HG21 THR 628 HG21 THR 628 4.949 1.811 -10.638 690 HG22 THR 628 HG22 THR 628 5.579 1.032 -9.166 691 HG23 THR 628 HG23 THR 628 6.635 2.086 -10.137 692 H GLY 629 H GLY 629 3.056 -0.407 -11.712 693 HA2 GLY 629 HA2 GLY 629 2.452 -0.577 -14.034 694 HA3 GLY 629 HA3 GLY 629 3.392 -2.052 -14.144 695 H ALA 630 H ALA 630 0.387 -1.321 -14.520 696 HA ALA 630 HA ALA 630 -1.055 -2.583 -12.476 697 HB1 ALA 630 HB1 ALA 630 -2.886 -2.555 -14.124 698 HB2 ALA 630 HB2 ALA 630 -2.006 -1.008 -14.131 699 HB3 ALA 630 HB3 ALA 630 -1.723 -2.199 -15.423 700 HA PRO 631 HA PRO 631 0.175 -6.663 -13.524 701 HB2 PRO 631 HB2 PRO 631 -0.827 -7.886 -11.295 702 HB3 PRO 631 HB3 PRO 631 0.769 -7.165 -11.357 703 HG2 PRO 631 HG2 PRO 631 -1.677 -6.143 -10.049 704 HG3 PRO 631 HG3 PRO 631 -0.010 -5.677 -9.776 705 HD2 PRO 631 HD2 PRO 631 -1.980 -4.209 -11.256 706 HD3 PRO 631 HD3 PRO 631 -0.285 -3.803 -11.079 707 H SER 632 H SER 632 -0.824 -8.839 -13.875 708 HA SER 632 HA SER 632 -3.683 -8.525 -14.219 709 HB2 SER 632 HB2 SER 632 -3.594 -9.441 -16.507 710 HB3 SER 632 HB3 SER 632 -2.685 -7.947 -16.404 711 HG SER 632 HG SER 632 -1.801 -10.274 -17.319 712 H GLY 633 H GLY 633 -3.845 -9.980 -12.382 713 HA2 GLY 633 HA2 GLY 633 -4.212 -12.034 -11.525 714 HA3 GLY 633 HA3 GLY 633 -3.859 -12.735 -13.092 Start of MODEL 4 1 H1 GLY 530 H GLY 530 -3.728 20.505 2.807 2 HA2 GLY 530 HA2 GLY 530 -5.258 21.008 0.364 3 HA3 GLY 530 HA3 GLY 530 -4.022 22.025 1.077 4 H GLY 531 H GLY 531 -4.317 18.624 -0.196 5 HA2 GLY 531 HA2 GLY 531 -2.307 19.084 -2.183 6 HA3 GLY 531 HA3 GLY 531 -1.689 18.168 -0.823 7 H THR 532 H THR 532 -4.632 18.283 -2.962 8 HA THR 532 HA THR 532 -4.365 15.385 -3.294 9 HB THR 532 HB THR 532 -6.994 15.430 -3.047 10 HG1 THR 532 HG1 THR 532 -7.040 17.798 -2.923 11 HG21 THR 532 HG21 THR 532 -4.865 15.282 -1.011 12 HG22 THR 532 HG22 THR 532 -6.388 15.909 -0.335 13 HG23 THR 532 HG23 THR 532 -6.359 14.323 -1.143 14 H THR 533 H THR 533 -4.488 14.758 -5.363 15 HA THR 533 HA THR 533 -6.206 16.001 -7.228 16 HB THR 533 HB THR 533 -3.399 17.023 -6.937 17 HG1 THR 533 HG1 THR 533 -4.620 18.868 -7.465 18 HG21 THR 533 HG21 THR 533 -3.378 17.633 -9.385 19 HG22 THR 533 HG22 THR 533 -3.195 15.881 -9.130 20 HG23 THR 533 HG23 THR 533 -4.765 16.547 -9.639 21 H ASN 534 H ASN 534 -3.123 14.176 -6.765 22 HA ASN 534 HA ASN 534 -3.941 12.500 -8.977 23 HB2 ASN 534 HB2 ASN 534 -1.397 13.344 -7.825 24 HB3 ASN 534 HB3 ASN 534 -1.469 11.593 -7.821 25 HD21 ASN 534 HD21 ASN 534 0.225 13.298 -9.383 26 HD22 ASN 534 HD22 ASN 534 -0.090 12.994 -11.058 27 H LYS 535 H LYS 535 -3.065 10.007 -8.422 28 HA LYS 535 HA LYS 535 -3.733 9.314 -5.685 29 HB2 LYS 535 HB2 LYS 535 -5.335 8.363 -8.074 30 HB3 LYS 535 HB3 LYS 535 -5.360 7.568 -6.513 31 HG2 LYS 535 HG2 LYS 535 -7.105 9.014 -6.117 32 HG3 LYS 535 HG3 LYS 535 -5.814 10.116 -5.681 33 HD2 LYS 535 HD2 LYS 535 -6.218 11.469 -7.472 34 HD3 LYS 535 HD3 LYS 535 -6.286 10.117 -8.584 35 HE2 LYS 535 HE2 LYS 535 -8.644 9.862 -7.045 36 HE3 LYS 535 HE3 LYS 535 -8.491 11.587 -7.312 37 HZ2 LYS 535 HZ2 LYS 535 -9.541 10.924 -9.242 38 HZ3 LYS 535 HZ3 LYS 535 -8.002 10.798 -9.758 39 H VAL 536 H VAL 536 -3.093 7.072 -5.163 40 HA VAL 536 HA VAL 536 -1.154 6.036 -7.111 41 HB VAL 536 HB VAL 536 0.185 5.350 -5.091 42 HG11 VAL 536 HG11 VAL 536 1.124 7.091 -6.326 43 HG12 VAL 536 HG12 VAL 536 -0.197 8.218 -5.936 44 HG13 VAL 536 HG13 VAL 536 1.003 7.789 -4.693 45 HG21 VAL 536 HG21 VAL 536 -0.280 6.065 -2.968 46 HG22 VAL 536 HG22 VAL 536 -1.126 7.530 -3.523 47 HG23 VAL 536 HG23 VAL 536 -1.943 5.950 -3.595 48 H THR 537 H THR 537 -1.706 4.036 -7.788 49 HA THR 537 HA THR 537 -3.518 2.494 -6.070 50 HB THR 537 HB THR 537 -2.864 2.476 -9.058 51 HG1 THR 537 HG1 THR 537 -4.881 3.478 -9.056 52 HG21 THR 537 HG21 THR 537 -3.645 0.217 -7.585 53 HG22 THR 537 HG22 THR 537 -5.195 0.920 -8.108 54 HG23 THR 537 HG23 THR 537 -3.965 0.478 -9.317 55 H VAL 538 H VAL 538 -2.783 0.845 -4.899 56 HA VAL 538 HA VAL 538 -0.320 -0.443 -5.852 57 HB VAL 538 HB VAL 538 -0.962 -0.244 -2.940 58 HG11 VAL 538 HG11 VAL 538 0.891 -1.578 -3.205 59 HG12 VAL 538 HG12 VAL 538 1.438 -0.722 -4.667 60 HG13 VAL 538 HG13 VAL 538 1.676 0.013 -3.063 61 HG21 VAL 538 HG21 VAL 538 0.745 1.856 -3.241 62 HG22 VAL 538 HG22 VAL 538 -0.262 2.031 -4.698 63 HG23 VAL 538 HG23 VAL 538 -1.022 2.011 -3.089 64 H TYR 539 H TYR 539 -0.488 -2.616 -6.140 65 HA TYR 539 HA TYR 539 -2.932 -3.868 -5.097 66 HB2 TYR 539 HB2 TYR 539 -1.177 -3.994 -7.550 67 HB3 TYR 539 HB3 TYR 539 -1.769 -5.549 -7.001 68 HD1 TYR 539 HD2 TYR 539 -3.123 -2.093 -7.604 69 HD2 TYR 539 HD1 TYR 539 -3.741 -6.313 -7.946 70 HE1 TYR 539 HE2 TYR 539 -5.331 -1.680 -8.794 71 HE2 TYR 539 HE1 TYR 539 -5.947 -5.886 -9.134 72 HH TYR 539 HH TYR 539 -6.768 -2.891 -10.389 73 H TYR 540 H TYR 540 -2.790 -5.514 -3.635 74 HA TYR 540 HA TYR 540 -0.120 -6.685 -3.240 75 HB2 TYR 540 HB2 TYR 540 -0.539 -5.254 -1.337 76 HB3 TYR 540 HB3 TYR 540 -2.267 -5.537 -1.399 77 HD1 TYR 540 HD1 TYR 540 0.503 -8.052 -1.328 78 HD2 TYR 540 HD2 TYR 540 -2.803 -6.305 0.750 79 HE1 TYR 540 HE1 TYR 540 0.719 -9.804 0.503 80 HE2 TYR 540 HE2 TYR 540 -2.577 -8.062 2.574 81 HH TYR 540 HH TYR 540 0.159 -10.177 2.708 82 H LYS 541 H LYS 541 -0.025 -8.911 -2.993 83 HA LYS 541 HA LYS 541 -2.503 -10.300 -3.583 84 HB2 LYS 541 HB2 LYS 541 -0.259 -10.652 -4.790 85 HB3 LYS 541 HB3 LYS 541 0.254 -11.512 -3.352 86 HG2 LYS 541 HG2 LYS 541 -1.683 -13.061 -3.563 87 HG3 LYS 541 HG3 LYS 541 -2.254 -12.180 -4.966 88 HD2 LYS 541 HD2 LYS 541 -0.645 -13.075 -6.364 89 HD3 LYS 541 HD3 LYS 541 0.588 -13.089 -5.118 90 HE2 LYS 541 HE2 LYS 541 0.023 -15.205 -4.380 91 HE3 LYS 541 HE3 LYS 541 -1.692 -14.960 -4.645 92 HZ2 LYS 541 HZ2 LYS 541 -1.495 -15.550 -6.872 93 HZ3 LYS 541 HZ3 LYS 541 0.083 -15.163 -6.985 94 H LYS 542 H LYS 542 -3.788 -10.951 -1.950 95 HA LYS 542 HA LYS 542 -2.492 -11.492 0.621 96 HB2 LYS 542 HB2 LYS 542 -4.483 -10.883 1.678 97 HB3 LYS 542 HB3 LYS 542 -4.321 -9.716 0.381 98 HG2 LYS 542 HG2 LYS 542 -6.296 -10.371 -0.517 99 HG3 LYS 542 HG3 LYS 542 -5.726 -12.023 -0.656 100 HD2 LYS 542 HD2 LYS 542 -6.961 -12.693 1.131 101 HD3 LYS 542 HD3 LYS 542 -6.333 -11.402 2.135 102 HE2 LYS 542 HE2 LYS 542 -8.026 -9.861 1.429 103 HE3 LYS 542 HE3 LYS 542 -8.445 -10.825 0.026 104 HZ2 LYS 542 HZ2 LYS 542 -10.054 -11.643 1.366 105 HZ3 LYS 542 HZ3 LYS 542 -8.899 -12.537 2.084 106 H GLY 543 H GLY 543 -3.461 -14.817 0.989 107 HA2 GLY 543 HA2 GLY 543 -1.556 -13.262 1.892 108 HA3 GLY 543 HA3 GLY 543 -2.909 -12.173 2.122 109 H PHE 544 H PHE 544 -3.776 -12.214 4.143 110 HA PHE 544 HA PHE 544 -3.496 -14.714 5.645 111 HB2 PHE 544 HB2 PHE 544 -3.528 -11.737 6.203 112 HB3 PHE 544 HB3 PHE 544 -4.224 -12.757 7.447 113 HD1 PHE 544 HD1 PHE 544 -1.133 -11.967 5.611 114 HD2 PHE 544 HD2 PHE 544 -2.842 -14.131 8.837 115 HE1 PHE 544 HE1 PHE 544 1.161 -12.429 6.518 116 HE2 PHE 544 HE2 PHE 544 -0.548 -14.592 9.743 117 HZ PHE 544 HZ PHE 544 1.427 -13.736 8.573 118 H ASN 545 H ASN 545 -5.704 -11.939 6.242 119 HA ASN 545 HA ASN 545 -7.940 -13.534 5.404 120 HB2 ASN 545 HB2 ASN 545 -8.087 -12.359 8.194 121 HB3 ASN 545 HB3 ASN 545 -9.016 -13.680 7.515 122 HD21 ASN 545 HD21 ASN 545 -7.871 -15.680 7.002 123 HD22 ASN 545 HD22 ASN 545 -6.567 -16.205 8.014 124 H SER 546 H SER 546 -6.815 -10.610 7.264 125 HA SER 546 HA SER 546 -7.986 -8.875 5.390 126 HB2 SER 546 HB2 SER 546 -9.252 -8.307 8.009 127 HB3 SER 546 HB3 SER 546 -9.925 -8.191 6.395 128 HG SER 546 HG SER 546 -9.971 -10.339 8.220 129 HA PRO 547 HA PRO 547 -4.640 -7.378 8.150 130 HB2 PRO 547 HB2 PRO 547 -2.612 -7.245 6.322 131 HB3 PRO 547 HB3 PRO 547 -2.847 -8.610 7.396 132 HG2 PRO 547 HG2 PRO 547 -3.435 -8.402 4.506 133 HG3 PRO 547 HG3 PRO 547 -3.259 -9.842 5.489 134 HD2 PRO 547 HD2 PRO 547 -5.715 -8.693 4.554 135 HD3 PRO 547 HD3 PRO 547 -5.542 -10.064 5.632 136 H TYR 548 H TYR 548 -4.016 -5.266 8.534 137 HA TYR 548 HA TYR 548 -5.244 -3.448 6.611 138 HB2 TYR 548 HB2 TYR 548 -4.379 -3.546 9.517 139 HB3 TYR 548 HB3 TYR 548 -4.327 -1.967 8.759 140 HD1 TYR 548 HD1 TYR 548 -6.536 -4.731 9.813 141 HD2 TYR 548 HD2 TYR 548 -6.360 -0.778 8.185 142 HE1 TYR 548 HE1 TYR 548 -9.025 -4.436 10.239 143 HE2 TYR 548 HE2 TYR 548 -8.849 -0.497 8.617 144 HH TYR 548 HH TYR 548 -10.884 -2.805 8.987 145 H ILE 549 H ILE 549 -4.081 -1.375 6.105 146 HA ILE 549 HA ILE 549 -1.175 -1.758 6.104 147 HB ILE 549 HB ILE 549 -1.211 -0.730 3.798 148 HG12 ILE 549 HG11 ILE 549 -3.722 -0.089 4.112 149 HG13 ILE 549 HG12 ILE 549 -3.126 -0.566 2.534 150 HG21 ILE 549 HG21 ILE 549 -0.591 -3.007 4.038 151 HG22 ILE 549 HG22 ILE 549 -2.275 -3.514 4.310 152 HG23 ILE 549 HG23 ILE 549 -1.768 -2.934 2.705 153 HD11 ILE 549 HD11 ILE 549 -4.693 -2.265 4.516 154 HD12 ILE 549 HD12 ILE 549 -5.163 -1.792 2.866 155 HD13 ILE 549 HD13 ILE 549 -3.849 -2.967 3.114 156 H HIS 550 H HIS 550 0.007 0.052 6.632 157 HA HIS 550 HA HIS 550 -1.592 2.471 7.058 158 HB2 HIS 550 HB2 HIS 550 -0.688 1.196 9.092 159 HB3 HIS 550 HB3 HIS 550 0.905 1.726 8.587 160 HD1 HIS 550 HD1 HIS 550 -1.229 4.450 7.704 161 HD2 HIS 550 HE2 HIS 550 0.356 3.027 11.317 162 HE1 HIS 550 HE1 HIS 550 -1.356 6.392 9.354 163 H TYR 551 H TYR 551 -1.139 4.035 5.599 164 HA TYR 551 HA TYR 551 1.651 4.220 4.683 165 HB2 TYR 551 HB2 TYR 551 0.089 5.255 2.641 166 HB3 TYR 551 HB3 TYR 551 0.599 3.579 2.682 167 HD1 TYR 551 HD2 TYR 551 -2.120 5.628 4.285 168 HD2 TYR 551 HD1 TYR 551 -1.064 2.054 2.183 169 HE1 TYR 551 HE2 TYR 551 -4.550 4.882 4.318 170 HE2 TYR 551 HE1 TYR 551 -3.498 1.320 2.224 171 HH TYR 551 HH TYR 551 -5.673 2.315 2.397 172 H ARG 552 H ARG 552 2.248 6.429 3.886 173 HA ARG 552 HA ARG 552 0.519 8.493 4.917 174 HB2 ARG 552 HB2 ARG 552 1.827 8.756 6.774 175 HB3 ARG 552 HB3 ARG 552 3.045 7.657 6.157 176 HG2 ARG 552 HG2 ARG 552 4.190 9.391 4.971 177 HG3 ARG 552 HG3 ARG 552 2.815 10.476 5.046 178 HD2 ARG 552 HD2 ARG 552 4.056 11.399 6.770 179 HD3 ARG 552 HD3 ARG 552 3.196 10.192 7.705 180 HE ARG 552 HE ARG 552 5.362 8.751 6.929 181 HH11 ARG 552 HH22 ARG 552 5.157 12.035 8.243 182 HH12 ARG 552 HH21 ARG 552 6.721 11.970 8.984 183 HH22 ARG 552 HH1 ARG 552 8.038 9.979 8.772 184 HA PRO 553 HA PRO 553 2.021 10.364 1.266 185 HB2 PRO 553 HB2 PRO 553 1.066 12.903 1.600 186 HB3 PRO 553 HB3 PRO 553 0.083 11.580 1.006 187 HG2 PRO 553 HG2 PRO 553 0.070 12.845 3.677 188 HG3 PRO 553 HG3 PRO 553 -1.157 11.840 2.933 189 HD2 PRO 553 HD2 PRO 553 0.713 11.049 4.959 190 HD3 PRO 553 HD3 PRO 553 -0.436 10.015 4.131 191 H ALA 554 H ALA 554 3.838 11.274 0.423 192 HA ALA 554 HA ALA 554 5.792 11.974 2.349 193 HB1 ALA 554 HB1 ALA 554 6.394 10.851 0.282 194 HB2 ALA 554 HB2 ALA 554 5.693 12.170 -0.687 195 HB3 ALA 554 HB3 ALA 554 7.150 12.463 0.292 196 H GLY 555 H GLY 555 4.033 13.642 3.252 197 HA2 GLY 555 HA2 GLY 555 4.944 16.097 3.399 198 HA3 GLY 555 HA3 GLY 555 4.183 16.194 1.824 199 H GLY 556 H GLY 556 3.092 14.234 4.654 200 HA2 GLY 556 HA2 GLY 556 0.858 16.087 5.080 201 HA3 GLY 556 HA3 GLY 556 0.492 14.438 4.611 202 H SER 557 H SER 557 0.856 12.691 6.073 203 HA SER 557 HA SER 557 2.300 12.940 8.408 204 HB2 SER 557 HB2 SER 557 0.541 14.546 9.092 205 HB3 SER 557 HB3 SER 557 -0.700 13.351 8.775 206 HG SER 557 HG SER 557 -0.304 13.255 10.984 207 H TRP 558 H TRP 558 1.056 11.152 10.129 208 HA TRP 558 HA TRP 558 0.825 8.799 8.407 209 HB2 TRP 558 HB2 TRP 558 1.767 9.293 11.195 210 HB3 TRP 558 HB3 TRP 558 1.060 7.733 10.824 211 HD1 TRP 558 HD TRP 558 4.289 9.619 10.477 212 HE1 TRP 558 HE1 TRP 558 6.129 8.257 9.165 213 HE3 TRP 558 HE3 TRP 558 1.142 6.016 8.753 214 HZ2 TRP 558 HZ2 TRP 558 6.063 5.879 7.588 215 HZ3 TRP 558 HZ3 TRP 558 2.111 4.211 7.334 216 HH2 TRP 558 HH TRP 558 4.481 4.105 6.746 217 H THR 559 H THR 559 -1.253 8.243 7.908 218 HA THR 559 HA THR 559 -3.516 9.299 9.034 219 HB THR 559 HB THR 559 -3.238 6.481 7.879 220 HG1 THR 559 HG1 THR 559 -2.689 7.560 6.014 221 HG21 THR 559 HG21 THR 559 -5.543 6.770 8.176 222 HG22 THR 559 HG22 THR 559 -5.424 8.545 8.138 223 HG23 THR 559 HG23 THR 559 -5.347 7.615 6.622 224 H ALA 560 H ALA 560 -5.308 7.790 10.100 225 HA ALA 560 HA ALA 560 -4.317 7.314 12.722 226 HB1 ALA 560 HB1 ALA 560 -6.480 8.138 12.733 227 HB2 ALA 560 HB2 ALA 560 -6.956 7.213 11.288 228 HB3 ALA 560 HB3 ALA 560 -6.812 6.394 12.861 229 H ALA 561 H ALA 561 -3.033 5.571 13.124 230 HA ALA 561 HA ALA 561 -3.205 3.206 11.566 231 HB1 ALA 561 HB1 ALA 561 -1.343 4.416 13.227 232 HB2 ALA 561 HB2 ALA 561 -1.874 3.013 14.185 233 HB3 ALA 561 HB3 ALA 561 -1.214 2.776 12.549 234 HA PRO 562 HA PRO 562 -3.126 1.352 11.493 235 HB2 PRO 562 HB2 PRO 562 -4.752 -0.563 10.418 236 HB3 PRO 562 HB3 PRO 562 -3.556 -0.904 11.652 237 HG2 PRO 562 HG2 PRO 562 -6.494 -0.709 11.922 238 HG3 PRO 562 HG3 PRO 562 -5.338 -1.451 13.011 239 HD2 PRO 562 HD2 PRO 562 -6.632 1.087 13.350 240 HD3 PRO 562 HD3 PRO 562 -5.391 0.397 14.378 241 H GLY 563 H GLY 563 -2.990 1.794 9.268 242 HA2 GLY 563 HA2 GLY 563 -4.341 3.989 8.401 243 HA3 GLY 563 HA3 GLY 563 -3.658 2.767 7.347 244 H VAL 564 H VAL 564 -5.016 1.509 6.103 245 HA VAL 564 HA VAL 564 -7.818 1.362 6.921 246 HB VAL 564 HB VAL 564 -7.197 1.825 4.044 247 HG11 VAL 564 HG11 VAL 564 -9.459 1.365 4.447 248 HG12 VAL 564 HG12 VAL 564 -9.497 2.351 5.929 249 HG13 VAL 564 HG13 VAL 564 -9.404 3.140 4.336 250 HG21 VAL 564 HG21 VAL 564 -7.388 4.098 6.049 251 HG22 VAL 564 HG22 VAL 564 -5.896 3.574 5.233 252 HG23 VAL 564 HG23 VAL 564 -7.243 4.242 4.281 253 H LYS 565 H LYS 565 -8.981 -0.438 5.822 254 HA LYS 565 HA LYS 565 -7.196 -2.686 5.589 255 HB2 LYS 565 HB2 LYS 565 -9.243 -2.856 6.918 256 HB3 LYS 565 HB3 LYS 565 -10.221 -2.479 5.515 257 HG2 LYS 565 HG2 LYS 565 -10.157 -4.633 4.801 258 HG3 LYS 565 HG3 LYS 565 -8.406 -4.660 4.863 259 HD2 LYS 565 HD2 LYS 565 -8.700 -6.181 6.547 260 HD3 LYS 565 HD3 LYS 565 -8.991 -4.773 7.549 261 HE2 LYS 565 HE2 LYS 565 -11.294 -5.988 5.997 262 HE3 LYS 565 HE3 LYS 565 -10.764 -6.751 7.483 263 HZ2 LYS 565 HZ2 LYS 565 -11.234 -4.769 8.697 264 HZ3 LYS 565 HZ3 LYS 565 -11.421 -3.862 7.357 265 H MET 566 H MET 566 -6.317 -3.379 3.720 266 HA MET 566 HA MET 566 -6.440 -2.186 1.381 267 HB2 MET 566 HB2 MET 566 -5.888 -4.936 2.336 268 HB3 MET 566 HB3 MET 566 -6.400 -4.928 0.660 269 HG2 MET 566 HG2 MET 566 -4.458 -2.778 1.230 270 HG3 MET 566 HG3 MET 566 -3.811 -4.363 1.606 271 HE1 MET 566 HE1 MET 566 -2.943 -2.220 -0.559 272 HE2 MET 566 HE2 MET 566 -1.991 -3.723 -0.521 273 HE3 MET 566 HE3 MET 566 -2.650 -3.126 -2.062 274 H GLN 567 H GLN 567 -7.668 -2.187 -0.555 275 HA GLN 567 HA GLN 567 -10.340 -3.275 -0.180 276 HB2 GLN 567 HB2 GLN 567 -9.250 -0.811 -1.415 277 HB3 GLN 567 HB3 GLN 567 -10.484 -1.593 -2.383 278 HG2 GLN 567 HG2 GLN 567 -11.527 -1.721 0.224 279 HG3 GLN 567 HG3 GLN 567 -10.749 -0.152 0.177 280 HE21 GLN 567 HE12 GLN 567 -13.206 0.200 0.485 281 HE22 GLN 567 HE22 GLN 567 -14.108 0.569 -0.947 282 H ASP 568 H ASP 568 -10.879 -5.086 -1.316 283 HA ASP 568 HA ASP 568 -9.242 -6.493 -2.852 284 HB2 ASP 568 HB2 ASP 568 -12.029 -6.478 -2.265 285 HB3 ASP 568 HB3 ASP 568 -11.926 -6.617 -4.009 286 HD2 ASP 568 HD ASP 568 -10.598 -8.103 -1.143 287 H ALA 569 H ALA 569 -8.912 -6.751 -5.204 288 HA ALA 569 HA ALA 569 -9.214 -4.237 -6.621 289 HB1 ALA 569 HB1 ALA 569 -7.867 -6.776 -7.592 290 HB2 ALA 569 HB2 ALA 569 -7.552 -5.094 -8.085 291 HB3 ALA 569 HB3 ALA 569 -7.067 -5.652 -6.466 292 H GLU 570 H GLU 570 -9.074 -6.032 -9.188 293 HA GLU 570 HA GLU 570 -11.879 -6.806 -9.183 294 HB2 GLU 570 HB2 GLU 570 -12.265 -5.729 -11.318 295 HB3 GLU 570 HB3 GLU 570 -11.591 -4.532 -10.230 296 HG2 GLU 570 HG2 GLU 570 -9.265 -5.361 -11.258 297 HG3 GLU 570 HG3 GLU 570 -10.278 -5.916 -12.576 298 HE2 GLU 570 HE GLU 570 -9.102 -3.121 -13.628 299 H ILE 571 H ILE 571 -8.895 -7.965 -9.230 300 HA ILE 571 HA ILE 571 -8.953 -9.459 -11.689 301 HB ILE 571 HB ILE 571 -7.112 -9.535 -9.297 302 HG12 ILE 571 HG11 ILE 571 -6.757 -8.275 -12.032 303 HG13 ILE 571 HG12 ILE 571 -7.102 -7.404 -10.551 304 HG21 ILE 571 HG21 ILE 571 -5.857 -11.152 -10.262 305 HG22 ILE 571 HG22 ILE 571 -7.426 -11.612 -10.965 306 HG23 ILE 571 HG23 ILE 571 -6.272 -10.650 -11.919 307 HD11 ILE 571 HD11 ILE 571 -4.892 -7.352 -10.077 308 HD12 ILE 571 HD12 ILE 571 -4.876 -9.131 -10.002 309 HD13 ILE 571 HD13 ILE 571 -4.549 -8.301 -11.543 310 H SER 572 H SER 572 -8.385 -10.760 -8.374 311 HA SER 572 HA SER 572 -10.670 -12.023 -7.892 312 HB2 SER 572 HB2 SER 572 -10.922 -13.326 -9.786 313 HB3 SER 572 HB3 SER 572 -9.200 -13.401 -10.102 314 HG SER 572 HG SER 572 -10.584 -15.362 -9.145 315 H GLY 573 H GLY 573 -9.852 -11.753 -5.771 316 HA2 GLY 573 HA2 GLY 573 -8.998 -12.852 -3.916 317 HA3 GLY 573 HA3 GLY 573 -7.929 -13.792 -4.938 318 H TYR 574 H TYR 574 -7.897 -10.539 -5.979 319 HA TYR 574 HA TYR 574 -5.377 -10.116 -4.542 320 HB2 TYR 574 HB2 TYR 574 -6.495 -9.738 -7.247 321 HB3 TYR 574 HB3 TYR 574 -5.919 -8.200 -6.637 322 HD1 TYR 574 HD1 TYR 574 -3.507 -7.931 -6.004 323 HD2 TYR 574 HD2 TYR 574 -4.969 -11.466 -7.920 324 HE1 TYR 574 HE1 TYR 574 -1.133 -8.573 -6.648 325 HE2 TYR 574 HE2 TYR 574 -2.590 -12.096 -8.557 326 HH TYR 574 HH TYR 574 -0.517 -11.349 -8.727 327 H ALA 575 H ALA 575 -4.855 -7.842 -3.902 328 HA ALA 575 HA ALA 575 -7.310 -6.401 -3.162 329 HB1 ALA 575 HB1 ALA 575 -6.133 -7.595 -1.269 330 HB2 ALA 575 HB2 ALA 575 -4.722 -6.553 -1.571 331 HB3 ALA 575 HB3 ALA 575 -6.268 -5.833 -1.060 332 H LYS 576 H LYS 576 -7.045 -4.030 -2.986 333 HA LYS 576 HA LYS 576 -4.653 -2.921 -4.146 334 HB2 LYS 576 HB2 LYS 576 -5.529 -2.086 -6.121 335 HB3 LYS 576 HB3 LYS 576 -6.211 -3.698 -6.058 336 HG2 LYS 576 HG2 LYS 576 -8.328 -2.797 -5.123 337 HG3 LYS 576 HG3 LYS 576 -7.648 -1.182 -5.085 338 HD2 LYS 576 HD2 LYS 576 -7.496 -2.553 -7.736 339 HD3 LYS 576 HD3 LYS 576 -9.119 -2.192 -7.181 340 HE2 LYS 576 HE2 LYS 576 -6.901 -0.098 -7.181 341 HE3 LYS 576 HE3 LYS 576 -7.937 -0.361 -8.570 342 HZ2 LYS 576 HZ2 LYS 576 -9.859 0.171 -7.206 343 HZ3 LYS 576 HZ3 LYS 576 -8.955 0.301 -5.858 344 H ILE 577 H ILE 577 -4.582 -0.563 -3.900 345 HA ILE 577 HA ILE 577 -6.718 0.553 -2.275 346 HB ILE 577 HB ILE 577 -5.355 1.197 -0.484 347 HG12 ILE 577 HG11 ILE 577 -2.807 -0.016 -1.202 348 HG13 ILE 577 HG12 ILE 577 -3.268 1.226 -2.349 349 HG21 ILE 577 HG21 ILE 577 -4.447 -0.965 0.369 350 HG22 ILE 577 HG22 ILE 577 -6.109 -1.067 -0.259 351 HG23 ILE 577 HG23 ILE 577 -4.750 -1.673 -1.235 352 HD11 ILE 577 HD11 ILE 577 -2.386 2.670 -0.815 353 HD12 ILE 577 HD12 ILE 577 -3.929 2.444 0.042 354 HD13 ILE 577 HD13 ILE 577 -2.506 1.482 0.506 355 H THR 578 H THR 578 -6.716 2.901 -2.275 356 HA THR 578 HA THR 578 -4.906 4.060 -4.281 357 HB THR 578 HB THR 578 -7.870 4.747 -4.056 358 HG1 THR 578 HG1 THR 578 -7.869 3.191 -5.986 359 HG21 THR 578 HG21 THR 578 -5.783 4.921 -6.295 360 HG22 THR 578 HG22 THR 578 -7.510 5.309 -6.488 361 HG23 THR 578 HG23 THR 578 -6.490 6.299 -5.417 362 H VAL 579 H VAL 579 -3.867 5.845 -3.633 363 HA VAL 579 HA VAL 579 -5.055 7.314 -1.390 364 HB VAL 579 HB VAL 579 -2.096 6.843 -1.637 365 HG11 VAL 579 HG11 VAL 579 -2.434 7.132 0.946 366 HG12 VAL 579 HG12 VAL 579 -2.456 8.558 -0.118 367 HG13 VAL 579 HG13 VAL 579 -3.985 7.863 0.470 368 HG21 VAL 579 HG21 VAL 579 -3.061 4.616 -1.550 369 HG22 VAL 579 HG22 VAL 579 -2.322 5.009 0.022 370 HG23 VAL 579 HG23 VAL 579 -4.090 5.080 -0.174 371 H ASP 580 H ASP 580 -5.009 9.533 -1.608 372 HA ASP 580 HA ASP 580 -4.304 10.477 -4.183 373 HB2 ASP 580 HB2 ASP 580 -6.254 11.257 -2.671 374 HB3 ASP 580 HB3 ASP 580 -5.058 12.130 -1.734 375 HD2 ASP 580 HD ASP 580 -7.135 13.270 -2.989 376 H ILE 581 H ILE 581 -2.698 12.223 -4.588 377 HA ILE 581 HA ILE 581 -0.937 12.967 -2.446 378 HB ILE 581 HB ILE 581 1.085 12.085 -3.476 379 HG12 ILE 581 HG11 ILE 581 -0.705 10.499 -5.335 380 HG13 ILE 581 HG12 ILE 581 0.127 11.967 -5.808 381 HG21 ILE 581 HG21 ILE 581 -0.876 9.837 -2.969 382 HG22 ILE 581 HG22 ILE 581 0.884 9.839 -2.705 383 HG23 ILE 581 HG23 ILE 581 -0.169 10.849 -1.686 384 HD11 ILE 581 HD11 ILE 581 1.746 9.793 -4.486 385 HD12 ILE 581 HD12 ILE 581 1.248 9.573 -6.181 386 HD13 ILE 581 HD13 ILE 581 2.238 10.978 -5.719 387 H GLY 582 H GLY 582 -2.678 14.576 -3.782 388 HA2 GLY 582 HA2 GLY 582 -2.078 15.670 -6.192 389 HA3 GLY 582 HA3 GLY 582 -2.666 16.582 -4.816 390 H SER 583 H SER 583 -0.685 16.775 -3.011 391 HA SER 583 HA SER 583 1.396 18.081 -4.557 392 HB2 SER 583 HB2 SER 583 -0.140 18.977 -2.422 393 HB3 SER 583 HB3 SER 583 1.348 18.507 -1.624 394 HG SER 583 HG SER 583 1.162 20.789 -2.523 395 H ALA 584 H ALA 584 1.263 15.133 -4.113 396 HA ALA 584 HA ALA 584 3.829 14.869 -2.723 397 HB1 ALA 584 HB1 ALA 584 2.671 13.868 -1.045 398 HB2 ALA 584 HB2 ALA 584 1.221 13.637 -2.051 399 HB3 ALA 584 HB3 ALA 584 2.576 12.489 -2.165 400 H SER 585 H SER 585 5.277 13.456 -3.724 401 HA SER 585 HA SER 585 4.279 12.374 -6.240 402 HB2 SER 585 HB2 SER 585 6.801 12.400 -6.846 403 HB3 SER 585 HB3 SER 585 5.960 13.937 -6.794 404 HG SER 585 HG SER 585 7.306 12.935 -4.455 405 H GLN 586 H GLN 586 5.056 11.527 -3.094 406 HA GLN 586 HA GLN 586 5.415 8.799 -3.888 407 HB2 GLN 586 HB2 GLN 586 7.627 10.434 -2.805 408 HB3 GLN 586 HB3 GLN 586 7.349 8.968 -1.886 409 HG2 GLN 586 HG2 GLN 586 7.731 7.559 -3.772 410 HG3 GLN 586 HG3 GLN 586 7.470 8.860 -4.917 411 HE21 GLN 586 HE12 GLN 586 9.704 7.134 -3.037 412 HE22 GLN 586 HE22 GLN 586 11.136 8.050 -3.369 413 H LEU 587 H LEU 587 4.515 7.367 -2.373 414 HA LEU 587 HA LEU 587 3.771 8.519 0.210 415 HB2 LEU 587 HB2 LEU 587 1.878 8.781 -1.343 416 HB3 LEU 587 HB3 LEU 587 1.881 7.054 -1.636 417 HG LEU 587 HG LEU 587 1.681 7.804 1.213 418 HD11 LEU 587 HD11 LEU 587 -0.552 8.507 -0.712 419 HD12 LEU 587 HD12 LEU 587 -0.705 8.430 1.060 420 HD13 LEU 587 HD13 LEU 587 0.375 9.631 0.311 421 HD21 LEU 587 HD21 LEU 587 1.350 5.560 0.901 422 HD22 LEU 587 HD22 LEU 587 -0.332 6.139 0.851 423 HD23 LEU 587 HD23 LEU 587 0.530 5.779 -0.664 424 H GLU 588 H GLU 588 4.272 7.187 1.880 425 HA GLU 588 HA GLU 588 5.299 4.600 1.155 426 HB2 GLU 588 HB2 GLU 588 5.945 4.585 3.655 427 HB3 GLU 588 HB3 GLU 588 6.738 5.768 2.633 428 HG2 GLU 588 HG2 GLU 588 4.181 6.736 3.788 429 HG3 GLU 588 HG3 GLU 588 5.383 6.335 4.999 430 HE2 GLU 588 HE GLU 588 6.554 9.099 2.311 431 H ALA 589 H ALA 589 4.504 2.594 1.970 432 HA ALA 589 HA ALA 589 2.062 2.720 3.557 433 HB1 ALA 589 HB1 ALA 589 1.503 2.721 1.070 434 HB2 ALA 589 HB2 ALA 589 2.241 1.103 0.991 435 HB3 ALA 589 HB3 ALA 589 0.811 1.380 2.014 436 H ALA 590 H ALA 590 1.875 0.998 4.989 437 HA ALA 590 HA ALA 590 3.969 -1.053 4.745 438 HB1 ALA 590 HB1 ALA 590 4.762 -0.086 6.639 439 HB2 ALA 590 HB2 ALA 590 3.241 0.784 6.949 440 HB3 ALA 590 HB3 ALA 590 3.405 -0.920 7.433 441 H PHE 591 H PHE 591 3.373 -3.161 5.761 442 HA PHE 591 HA PHE 591 0.462 -3.536 5.654 443 HB2 PHE 591 HB2 PHE 591 2.872 -5.247 4.816 444 HB3 PHE 591 HB3 PHE 591 1.267 -5.936 4.959 445 HD1 PHE 591 HD2 PHE 591 3.258 -3.410 3.130 446 HD2 PHE 591 HD1 PHE 591 -0.320 -5.689 3.227 447 HE1 PHE 591 HE2 PHE 591 2.745 -2.705 0.776 448 HE2 PHE 591 HE1 PHE 591 -0.833 -4.984 0.874 449 HZ PHE 591 HZ PHE 591 0.706 -3.501 -0.324 450 H ASN 592 H ASN 592 -0.495 -4.394 7.450 451 HA ASN 592 HA ASN 592 1.085 -6.056 9.168 452 HB2 ASN 592 HB2 ASN 592 0.491 -4.707 11.216 453 HB3 ASN 592 HB3 ASN 592 1.558 -3.839 10.131 454 HD21 ASN 592 HD21 ASN 592 -1.749 -4.227 11.237 455 HD22 ASN 592 HD22 ASN 592 -2.350 -2.676 10.754 456 H ASP 593 H ASP 593 -0.295 -7.590 10.191 457 HA ASP 593 HA ASP 593 -2.895 -7.776 9.234 458 HB2 ASP 593 HB2 ASP 593 -2.001 -9.843 9.840 459 HB3 ASP 593 HB3 ASP 593 -1.197 -9.201 11.258 460 HD2 ASP 593 HD ASP 593 -4.816 -10.086 10.604 461 H GLY 594 H GLY 594 -1.416 -6.065 11.901 462 HA2 GLY 594 HA2 GLY 594 -2.521 -4.419 13.122 463 HA3 GLY 594 HA3 GLY 594 -4.054 -5.224 12.858 464 H ASN 595 H ASN 595 -1.674 -7.562 13.594 465 HA ASN 595 HA ASN 595 -2.293 -7.353 16.432 466 HB2 ASN 595 HB2 ASN 595 -3.592 -9.183 15.045 467 HB3 ASN 595 HB3 ASN 595 -2.057 -10.027 14.985 468 HD21 ASN 595 HD21 ASN 595 -2.926 -11.727 16.178 469 HD22 ASN 595 HD22 ASN 595 -3.169 -11.644 17.891 470 H ASN 596 H ASN 596 0.010 -6.255 15.951 471 HA ASN 596 HA ASN 596 2.180 -6.300 16.029 472 HB2 ASN 596 HB2 ASN 596 1.443 -8.751 17.662 473 HB3 ASN 596 HB3 ASN 596 3.138 -8.409 17.377 474 HD21 ASN 596 HD21 ASN 596 2.575 -8.383 19.870 475 HD22 ASN 596 HD22 ASN 596 2.397 -6.804 20.558 476 H ASN 597 H ASN 597 1.359 -7.131 13.541 477 HA ASN 597 HA ASN 597 3.323 -9.167 12.933 478 HB2 ASN 597 HB2 ASN 597 0.373 -9.366 12.527 479 HB3 ASN 597 HB3 ASN 597 1.308 -9.736 11.092 480 HD21 ASN 597 HD21 ASN 597 0.215 -10.796 14.122 481 HD22 ASN 597 HD22 ASN 597 1.049 -12.311 14.221 482 H TRP 598 H TRP 598 4.343 -6.960 12.329 483 HA TRP 598 HA TRP 598 3.173 -5.769 9.938 484 HB2 TRP 598 HB2 TRP 598 5.433 -4.887 11.742 485 HB3 TRP 598 HB3 TRP 598 4.926 -4.036 10.297 486 HD1 TRP 598 HD TRP 598 2.900 -5.381 13.378 487 HE1 TRP 598 HE1 TRP 598 1.259 -3.520 14.276 488 HE3 TRP 598 HE3 TRP 598 4.238 -1.829 9.995 489 HZ2 TRP 598 HZ2 TRP 598 0.717 -0.831 13.489 490 HZ3 TRP 598 HZ3 TRP 598 3.105 0.388 10.129 491 HH2 TRP 598 HH TRP 598 1.400 0.913 11.799 492 H ASP 599 H ASP 599 4.264 -5.791 7.924 493 HA ASP 599 HA ASP 599 6.647 -7.470 7.892 494 HB2 ASP 599 HB2 ASP 599 4.415 -8.471 6.963 495 HB3 ASP 599 HB3 ASP 599 4.608 -7.344 5.635 496 HD2 ASP 599 HD ASP 599 6.082 -10.481 4.601 497 H SER 600 H SER 600 5.976 -4.424 7.888 498 HA SER 600 HA SER 600 6.432 -3.477 5.308 499 HB2 SER 600 HB2 SER 600 6.921 -1.302 6.483 500 HB3 SER 600 HB3 SER 600 5.407 -2.041 6.964 501 HG SER 600 HG SER 600 6.377 -2.793 8.901 502 H ASN 601 H ASN 601 8.659 -2.293 7.800 503 HA ASN 601 HA ASN 601 10.836 -3.875 6.986 504 HB2 ASN 601 HB2 ASN 601 10.324 -1.862 5.177 505 HB3 ASN 601 HB3 ASN 601 11.359 -0.999 6.296 506 HD21 ASN 601 HD21 ASN 601 13.471 -1.726 6.694 507 HD22 ASN 601 HD22 ASN 601 14.329 -2.734 5.577 508 H ASN 602 H ASN 602 9.396 -2.935 9.413 509 HA ASN 602 HA ASN 602 10.062 -2.519 11.470 510 HB2 ASN 602 HB2 ASN 602 12.539 -2.749 10.389 511 HB3 ASN 602 HB3 ASN 602 12.569 -1.022 10.686 512 HD21 ASN 602 HD21 ASN 602 14.231 -1.373 12.195 513 HD22 ASN 602 HD22 ASN 602 13.913 -1.931 13.804 514 H THR 603 H THR 603 11.234 0.027 9.135 515 HA THR 603 HA THR 603 9.235 1.870 9.751 516 HB THR 603 HB THR 603 10.683 1.730 11.964 517 HG1 THR 603 HG1 THR 603 10.118 4.137 10.381 518 HG21 THR 603 HG21 THR 603 12.264 3.981 10.889 519 HG22 THR 603 HG22 THR 603 12.787 2.643 11.940 520 HG23 THR 603 HG23 THR 603 12.743 2.423 10.174 521 H LYS 604 H LYS 604 10.617 0.677 7.491 522 HA LYS 604 HA LYS 604 11.748 3.145 6.368 523 HB2 LYS 604 HB2 LYS 604 12.788 0.381 6.394 524 HB3 LYS 604 HB3 LYS 604 12.808 1.148 4.819 525 HG2 LYS 604 HG2 LYS 604 14.585 2.422 5.415 526 HG3 LYS 604 HG3 LYS 604 13.693 3.092 6.767 527 HD2 LYS 604 HD2 LYS 604 15.128 1.987 8.136 528 HD3 LYS 604 HD3 LYS 604 14.335 0.503 7.645 529 HE2 LYS 604 HE2 LYS 604 16.229 -0.187 6.609 530 HE3 LYS 604 HE3 LYS 604 16.170 1.205 5.545 531 HZ2 LYS 604 HZ2 LYS 604 17.451 2.468 7.102 532 HZ3 LYS 604 HZ3 LYS 604 17.308 1.355 8.281 533 H ASN 605 H ASN 605 9.748 0.200 5.920 534 HA ASN 605 HA ASN 605 8.344 -0.376 4.345 535 HB2 ASN 605 HB2 ASN 605 7.224 2.301 3.820 536 HB3 ASN 605 HB3 ASN 605 6.460 0.918 4.577 537 HD21 ASN 605 HD21 ASN 605 6.584 0.605 6.786 538 HD22 ASN 605 HD22 ASN 605 7.051 1.849 7.898 539 H TYR 606 H TYR 606 7.140 1.113 2.154 540 HA TYR 606 HA TYR 606 9.484 1.881 0.557 541 HB2 TYR 606 HB2 TYR 606 7.017 0.212 -0.236 542 HB3 TYR 606 HB3 TYR 606 8.364 0.579 -1.296 543 HD1 TYR 606 HD2 TYR 606 10.664 -0.380 -0.722 544 HD2 TYR 606 HD1 TYR 606 7.062 -1.686 1.181 545 HE1 TYR 606 HE2 TYR 606 11.825 -2.515 0.025 546 HE2 TYR 606 HE1 TYR 606 8.235 -3.817 1.922 547 HH TYR 606 HH TYR 606 11.257 -4.745 0.653 548 H LEU 607 H LEU 607 9.161 3.564 -0.927 549 HA LEU 607 HA LEU 607 6.630 4.976 -0.549 550 HB2 LEU 607 HB2 LEU 607 9.430 5.778 -1.189 551 HB3 LEU 607 HB3 LEU 607 8.123 6.772 -1.799 552 HG LEU 607 HG LEU 607 7.275 6.767 0.668 553 HD11 LEU 607 HD11 LEU 607 10.025 5.623 0.926 554 HD12 LEU 607 HD12 LEU 607 9.452 6.770 2.160 555 HD13 LEU 607 HD13 LEU 607 8.543 5.272 1.848 556 HD21 LEU 607 HD21 LEU 607 7.829 8.884 0.261 557 HD22 LEU 607 HD22 LEU 607 9.409 8.518 0.993 558 HD23 LEU 607 HD23 LEU 607 9.199 8.409 -0.771 559 H PHE 608 H PHE 608 5.165 5.212 -2.180 560 HA PHE 608 HA PHE 608 6.043 4.280 -4.823 561 HB2 PHE 608 HB2 PHE 608 3.206 4.164 -3.680 562 HB3 PHE 608 HB3 PHE 608 3.853 3.226 -5.012 563 HD1 PHE 608 HD2 PHE 608 5.352 1.313 -4.566 564 HD2 PHE 608 HD1 PHE 608 3.495 3.453 -1.408 565 HE1 PHE 608 HE2 PHE 608 5.851 -0.578 -2.992 566 HE2 PHE 608 HE1 PHE 608 3.993 1.563 0.167 567 HZ PHE 608 HZ PHE 608 5.165 -0.430 -0.644 568 H SER 609 H SER 609 5.257 5.416 -6.654 569 HA SER 609 HA SER 609 4.060 7.975 -5.938 570 HB2 SER 609 HB2 SER 609 6.305 8.154 -6.950 571 HB3 SER 609 HB3 SER 609 5.789 7.204 -8.329 572 HG SER 609 HG SER 609 4.972 8.964 -9.224 573 H THR 610 H THR 610 2.625 8.933 -7.758 574 HA THR 610 HA THR 610 0.417 7.473 -8.199 575 HB THR 610 HB THR 610 0.056 9.071 -10.147 576 HG1 THR 610 HG1 THR 610 2.302 9.046 -10.858 577 HG21 THR 610 HG21 THR 610 -0.104 9.828 -7.653 578 HG22 THR 610 HG22 THR 610 1.521 10.515 -7.893 579 HG23 THR 610 HG23 THR 610 0.152 11.105 -8.867 580 H GLY 611 H GLY 611 -0.545 6.427 -10.108 581 HA2 GLY 611 HA2 GLY 611 -0.131 5.387 -12.243 582 HA3 GLY 611 HA3 GLY 611 1.493 5.000 -11.708 583 H THR 612 H THR 612 1.061 2.725 -12.186 584 HA THR 612 HA THR 612 -0.664 1.470 -10.152 585 HB THR 612 HB THR 612 0.060 0.206 -12.817 586 HG1 THR 612 HG1 THR 612 -1.043 1.922 -13.680 587 HG21 THR 612 HG21 THR 612 -1.246 -1.133 -11.149 588 HG22 THR 612 HG22 THR 612 -2.446 0.179 -11.052 589 HG23 THR 612 HG23 THR 612 -2.241 -0.730 -12.569 590 H SER 613 H SER 613 0.306 0.249 -8.663 591 HA SER 613 HA SER 613 2.886 -0.869 -9.411 592 HB2 SER 613 HB2 SER 613 3.832 -0.293 -7.244 593 HB3 SER 613 HB3 SER 613 3.218 1.168 -7.993 594 HG SER 613 HG SER 613 1.899 1.437 -6.336 595 H THR 614 H THR 614 3.491 -2.800 -8.045 596 HA THR 614 HA THR 614 1.183 -4.007 -6.694 597 HB THR 614 HB THR 614 2.951 -5.537 -8.653 598 HG1 THR 614 HG1 THR 614 1.791 -4.452 -10.191 599 HG21 THR 614 HG21 THR 614 0.114 -5.910 -7.559 600 HG22 THR 614 HG22 THR 614 0.839 -6.916 -8.836 601 HG23 THR 614 HG23 THR 614 1.523 -6.933 -7.193 602 H TYR 615 H TYR 615 1.742 -4.375 -4.650 603 HA TYR 615 HA TYR 615 4.572 -4.834 -4.087 604 HB2 TYR 615 HB2 TYR 615 3.417 -3.092 -2.784 605 HB3 TYR 615 HB3 TYR 615 2.014 -4.116 -2.548 606 HD1 TYR 615 HD1 TYR 615 5.581 -3.674 -1.581 607 HD2 TYR 615 HD2 TYR 615 1.855 -5.572 -0.674 608 HE1 TYR 615 HE1 TYR 615 6.508 -4.441 0.658 609 HE2 TYR 615 HE2 TYR 615 2.795 -6.332 1.562 610 HH TYR 615 HH TYR 615 5.142 -5.074 3.050 611 H THR 616 H THR 616 5.249 -6.918 -4.026 612 HA THR 616 HA THR 616 3.326 -8.907 -3.008 613 HB THR 616 HB THR 616 5.605 -9.157 -5.042 614 HG1 THR 616 HG1 THR 616 2.675 -9.366 -5.091 615 HG21 THR 616 HG21 THR 616 4.495 -11.186 -3.412 616 HG22 THR 616 HG22 THR 616 3.576 -11.285 -4.933 617 HG23 THR 616 HG23 THR 616 5.350 -11.431 -4.953 618 HA PRO 617 HA PRO 617 6.334 -8.969 0.191 619 HB2 PRO 617 HB2 PRO 617 4.686 -9.969 2.127 620 HB3 PRO 617 HB3 PRO 617 4.867 -8.254 1.815 621 HG2 PRO 617 HG2 PRO 617 2.620 -10.039 1.106 622 HG3 PRO 617 HG3 PRO 617 2.647 -8.289 1.191 623 HD2 PRO 617 HD2 PRO 617 2.720 -9.893 -1.186 624 HD3 PRO 617 HD3 PRO 617 2.864 -8.149 -1.094 625 H GLY 618 H GLY 618 7.045 -10.727 1.861 626 HA2 GLY 618 HA2 GLY 618 7.361 -13.120 0.221 627 HA3 GLY 618 HA3 GLY 618 8.251 -12.688 1.668 628 H SER 619 H SER 619 7.866 -14.868 2.500 629 HA SER 619 HA SER 619 5.218 -15.030 3.683 630 HB2 SER 619 HB2 SER 619 5.104 -17.444 3.239 631 HB3 SER 619 HB3 SER 619 5.257 -16.561 1.733 632 HG SER 619 HG SER 619 6.696 -18.349 1.715 633 H ASN 620 H ASN 620 7.706 -14.014 4.787 634 HA ASN 620 HA ASN 620 7.741 -15.383 7.167 635 HB2 ASN 620 HB2 ASN 620 9.061 -17.010 5.539 636 HB3 ASN 620 HB3 ASN 620 10.362 -15.847 5.689 637 HD21 ASN 620 HD21 ASN 620 10.482 -18.514 6.534 638 HD22 ASN 620 HD22 ASN 620 10.680 -18.572 8.253 639 H GLY 621 H GLY 621 7.457 -12.820 7.037 640 HA2 GLY 621 HA2 GLY 621 8.305 -10.715 7.178 641 HA3 GLY 621 HA3 GLY 621 9.334 -11.480 8.373 642 H ALA 622 H ALA 622 9.240 -11.790 4.754 643 HA ALA 622 HA ALA 622 12.008 -10.797 4.743 644 HB1 ALA 622 HB1 ALA 622 12.695 -12.702 3.764 645 HB2 ALA 622 HB2 ALA 622 11.096 -13.394 4.130 646 HB3 ALA 622 HB3 ALA 622 11.390 -12.615 2.557 647 H ALA 623 H ALA 623 11.819 -8.746 3.945 648 HA ALA 623 HA ALA 623 9.845 -7.630 2.540 649 HB1 ALA 623 HB1 ALA 623 12.729 -7.196 2.880 650 HB2 ALA 623 HB2 ALA 623 12.113 -6.545 1.342 651 HB3 ALA 623 HB3 ALA 623 11.392 -6.021 2.882 652 H GLY 624 H GLY 624 8.776 -8.092 0.688 653 HA2 GLY 624 HA2 GLY 624 9.868 -10.026 -1.152 654 HA3 GLY 624 HA3 GLY 624 8.299 -9.249 -1.213 655 H THR 625 H THR 625 8.082 -8.177 -3.129 656 HA THR 625 HA THR 625 10.032 -6.142 -3.773 657 HB THR 625 HB THR 625 10.551 -7.065 -5.982 658 HG1 THR 625 HG1 THR 625 8.732 -9.167 -5.033 659 HG21 THR 625 HG21 THR 625 10.645 -9.397 -4.000 660 HG22 THR 625 HG22 THR 625 11.662 -9.189 -5.445 661 HG23 THR 625 HG23 THR 625 11.859 -8.097 -4.054 662 H ILE 626 H ILE 626 9.279 -4.761 -5.615 663 HA ILE 626 HA ILE 626 6.345 -4.847 -5.750 664 HB ILE 626 HB ILE 626 7.548 -2.207 -6.035 665 HG12 ILE 626 HG11 ILE 626 7.873 -3.664 -3.396 666 HG13 ILE 626 HG12 ILE 626 9.159 -3.056 -4.419 667 HG21 ILE 626 HG21 ILE 626 5.668 -1.511 -4.852 668 HG22 ILE 626 HG22 ILE 626 5.090 -2.938 -5.745 669 HG23 ILE 626 HG23 ILE 626 5.490 -3.073 -4.016 670 HD11 ILE 626 HD11 ILE 626 7.478 -1.615 -2.485 671 HD12 ILE 626 HD12 ILE 626 9.032 -1.137 -3.209 672 HD13 ILE 626 HD13 ILE 626 7.511 -0.814 -4.075 673 H ARG 627 H ARG 627 5.419 -4.609 -7.769 674 HA ARG 627 HA ARG 627 7.333 -4.153 -9.915 675 HB2 ARG 627 HB2 ARG 627 5.650 -6.457 -9.414 676 HB3 ARG 627 HB3 ARG 627 5.083 -5.684 -10.881 677 HG2 ARG 627 HG2 ARG 627 6.768 -6.781 -11.946 678 HG3 ARG 627 HG3 ARG 627 7.848 -5.608 -11.219 679 HD2 ARG 627 HD1 ARG 627 8.689 -7.123 -9.705 680 HD3 ARG 627 HD2 ARG 627 7.122 -7.844 -9.398 681 HE ARG 627 HE ARG 627 9.102 -8.832 -11.232 682 HH11 ARG 627 HH22 ARG 627 5.592 -8.440 -10.947 683 HH12 ARG 627 HH21 ARG 627 5.234 -9.767 -12.001 684 HH22 ARG 627 HH1 ARG 627 7.035 -11.013 -12.974 685 H THR 628 H THR 628 6.804 -2.399 -11.192 686 HA THR 628 HA THR 628 4.316 -1.048 -10.721 687 HB THR 628 HB THR 628 5.945 -0.095 -12.971 688 HG1 THR 628 HG1 THR 628 7.928 -0.163 -11.865 689 HG21 THR 628 HG21 THR 628 4.583 1.423 -11.542 690 HG22 THR 628 HG22 THR 628 5.515 0.921 -10.111 691 HG23 THR 628 HG23 THR 628 6.308 1.842 -11.412 692 H GLY 629 H GLY 629 2.657 -0.587 -12.229 693 HA2 GLY 629 HA2 GLY 629 1.739 -0.855 -14.412 694 HA3 GLY 629 HA3 GLY 629 2.623 -2.358 -14.590 695 H ALA 630 H ALA 630 -0.377 -1.603 -14.655 696 HA ALA 630 HA ALA 630 -1.636 -2.672 -12.413 697 HB1 ALA 630 HB1 ALA 630 -3.027 -3.128 -14.956 698 HB2 ALA 630 HB2 ALA 630 -3.474 -2.086 -13.585 699 HB3 ALA 630 HB3 ALA 630 -2.355 -1.485 -14.832 700 HA PRO 631 HA PRO 631 -0.537 -6.858 -13.068 701 HB2 PRO 631 HB2 PRO 631 -1.536 -7.840 -10.722 702 HB3 PRO 631 HB3 PRO 631 0.068 -7.148 -10.866 703 HG2 PRO 631 HG2 PRO 631 -2.356 -5.971 -9.651 704 HG3 PRO 631 HG3 PRO 631 -0.682 -5.501 -9.436 705 HD2 PRO 631 HD2 PRO 631 -2.647 -4.164 -11.043 706 HD3 PRO 631 HD3 PRO 631 -0.945 -3.763 -10.918 707 H SER 632 H SER 632 -1.477 -8.922 -13.546 708 HA SER 632 HA SER 632 -4.320 -8.996 -13.414 709 HB2 SER 632 HB2 SER 632 -3.098 -7.966 -15.783 710 HB3 SER 632 HB3 SER 632 -3.652 -9.580 -16.180 711 HG SER 632 HG SER 632 -5.429 -8.304 -16.556 712 H GLY 633 H GLY 633 -3.615 -10.834 -12.051 713 HA2 GLY 633 HA2 GLY 633 -2.927 -12.956 -11.661 714 HA3 GLY 633 HA3 GLY 633 -3.885 -13.300 -13.087 Start of MODEL 5 1 H1 GLY 530 H GLY 530 -12.213 14.389 -3.151 2 HA2 GLY 530 HA2 GLY 530 -13.195 16.936 -3.624 3 HA3 GLY 530 HA3 GLY 530 -12.741 16.282 -2.062 4 H GLY 531 H GLY 531 -9.886 15.817 -2.800 5 HA2 GLY 531 HA2 GLY 531 -8.941 18.572 -3.231 6 HA3 GLY 531 HA3 GLY 531 -8.469 17.707 -1.783 7 H THR 532 H THR 532 -6.246 17.524 -2.243 8 HA THR 532 HA THR 532 -4.396 16.966 -3.417 9 HB THR 532 HB THR 532 -4.402 14.423 -3.763 10 HG1 THR 532 HG1 THR 532 -6.610 13.639 -2.796 11 HG21 THR 532 HG21 THR 532 -5.380 15.752 -1.220 12 HG22 THR 532 HG22 THR 532 -5.379 13.974 -1.315 13 HG23 THR 532 HG23 THR 532 -3.857 14.877 -1.511 14 H THR 533 H THR 533 -4.061 14.966 -5.488 15 HA THR 533 HA THR 533 -5.669 15.849 -7.711 16 HB THR 533 HB THR 533 -2.760 16.697 -7.324 17 HG1 THR 533 HG1 THR 533 -5.322 17.903 -8.104 18 HG21 THR 533 HG21 THR 533 -3.177 15.710 -9.666 19 HG22 THR 533 HG22 THR 533 -4.436 16.951 -9.870 20 HG23 THR 533 HG23 THR 533 -2.738 17.435 -9.643 21 H ASN 534 H ASN 534 -2.297 14.571 -7.471 22 HA ASN 534 HA ASN 534 -2.913 12.544 -9.291 23 HB2 ASN 534 HB2 ASN 534 -0.584 13.620 -8.025 24 HB3 ASN 534 HB3 ASN 534 -0.596 11.918 -7.610 25 HD21 ASN 534 HD21 ASN 534 1.423 12.648 -9.076 26 HD22 ASN 534 HD22 ASN 534 1.289 12.175 -10.737 27 H LYS 535 H LYS 535 -2.280 10.103 -8.598 28 HA LYS 535 HA LYS 535 -3.094 9.512 -5.879 29 HB2 LYS 535 HB2 LYS 535 -4.661 8.631 -8.314 30 HB3 LYS 535 HB3 LYS 535 -4.758 7.806 -6.771 31 HG2 LYS 535 HG2 LYS 535 -6.416 9.313 -6.310 32 HG3 LYS 535 HG3 LYS 535 -5.097 10.411 -5.953 33 HD2 LYS 535 HD2 LYS 535 -6.146 11.738 -7.512 34 HD3 LYS 535 HD3 LYS 535 -5.219 10.775 -8.646 35 HE2 LYS 535 HE2 LYS 535 -7.295 9.126 -8.539 36 HE3 LYS 535 HE3 LYS 535 -8.149 10.519 -7.906 37 HZ2 LYS 535 HZ2 LYS 535 -8.100 10.194 -10.439 38 HZ3 LYS 535 HZ3 LYS 535 -7.800 11.698 -9.892 39 H VAL 536 H VAL 536 -2.653 7.203 -5.323 40 HA VAL 536 HA VAL 536 -0.623 6.083 -7.129 41 HB VAL 536 HB VAL 536 -0.412 5.633 -4.203 42 HG11 VAL 536 HG11 VAL 536 1.450 4.691 -5.015 43 HG12 VAL 536 HG12 VAL 536 1.255 5.484 -6.597 44 HG13 VAL 536 HG13 VAL 536 2.061 6.344 -5.263 45 HG21 VAL 536 HG21 VAL 536 1.074 7.855 -4.296 46 HG22 VAL 536 HG22 VAL 536 -0.167 8.319 -5.484 47 HG23 VAL 536 HG23 VAL 536 -0.643 7.876 -3.827 48 H THR 537 H THR 537 -1.084 4.054 -7.813 49 HA THR 537 HA THR 537 -3.227 2.640 -6.391 50 HB THR 537 HB THR 537 -2.133 2.624 -9.239 51 HG1 THR 537 HG1 THR 537 -4.642 3.038 -7.780 52 HG21 THR 537 HG21 THR 537 -4.104 0.688 -7.913 53 HG22 THR 537 HG22 THR 537 -3.939 0.894 -9.673 54 HG23 THR 537 HG23 THR 537 -2.578 0.254 -8.721 55 H VAL 538 H VAL 538 -2.810 0.931 -5.145 56 HA VAL 538 HA VAL 538 -0.272 -0.461 -5.642 57 HB VAL 538 HB VAL 538 -1.390 -0.230 -2.884 58 HG11 VAL 538 HG11 VAL 538 1.298 0.019 -2.671 59 HG12 VAL 538 HG12 VAL 538 0.451 -1.545 -2.719 60 HG13 VAL 538 HG13 VAL 538 1.190 -0.888 -4.199 61 HG21 VAL 538 HG21 VAL 538 0.367 1.827 -2.842 62 HG22 VAL 538 HG22 VAL 538 -0.301 2.026 -4.480 63 HG23 VAL 538 HG23 VAL 538 -1.387 2.031 -3.069 64 H TYR 539 H TYR 539 -0.503 -2.617 -5.988 65 HA TYR 539 HA TYR 539 -3.123 -3.764 -5.309 66 HB2 TYR 539 HB2 TYR 539 -1.144 -3.859 -7.566 67 HB3 TYR 539 HB3 TYR 539 -1.748 -5.440 -7.111 68 HD1 TYR 539 HD1 TYR 539 -2.780 -2.071 -8.294 69 HD2 TYR 539 HD2 TYR 539 -3.942 -6.148 -7.721 70 HE1 TYR 539 HE1 TYR 539 -4.877 -1.675 -9.676 71 HE2 TYR 539 HE2 TYR 539 -6.036 -5.739 -9.104 72 HH TYR 539 HH TYR 539 -6.404 -3.282 -11.128 73 H TYR 540 H TYR 540 -3.222 -5.418 -3.858 74 HA TYR 540 HA TYR 540 -0.657 -6.673 -3.141 75 HB2 TYR 540 HB2 TYR 540 -1.466 -5.295 -1.296 76 HB3 TYR 540 HB3 TYR 540 -3.137 -5.712 -1.621 77 HD1 TYR 540 HD2 TYR 540 -0.201 -8.001 -1.240 78 HD2 TYR 540 HD1 TYR 540 -3.902 -6.620 0.402 79 HE1 TYR 540 HE2 TYR 540 -0.098 -9.816 0.537 80 HE2 TYR 540 HE1 TYR 540 -3.787 -8.440 2.174 81 HH TYR 540 HH TYR 540 -2.804 -10.429 2.646 82 H LYS 541 H LYS 541 -0.587 -8.912 -2.980 83 HA LYS 541 HA LYS 541 -2.946 -10.262 -4.025 84 HB2 LYS 541 HB2 LYS 541 -0.649 -10.536 -5.051 85 HB3 LYS 541 HB3 LYS 541 -0.163 -11.376 -3.592 86 HG2 LYS 541 HG2 LYS 541 -1.889 -13.092 -3.930 87 HG3 LYS 541 HG3 LYS 541 -2.569 -12.205 -5.279 88 HD2 LYS 541 HD2 LYS 541 -1.045 -13.063 -6.735 89 HD3 LYS 541 HD3 LYS 541 0.298 -12.654 -5.686 90 HE2 LYS 541 HE2 LYS 541 0.483 -14.960 -5.585 91 HE3 LYS 541 HE3 LYS 541 -0.640 -14.738 -4.258 92 HZ2 LYS 541 HZ2 LYS 541 -1.101 -16.023 -6.761 93 HZ3 LYS 541 HZ3 LYS 541 -2.017 -16.066 -5.416 94 H LYS 542 H LYS 542 -4.217 -11.619 -2.831 95 HA LYS 542 HA LYS 542 -3.751 -11.622 0.005 96 HB2 LYS 542 HB2 LYS 542 -5.987 -11.242 -0.660 97 HB3 LYS 542 HB3 LYS 542 -5.981 -12.582 -1.789 98 HG2 LYS 542 HG2 LYS 542 -6.864 -13.862 -0.135 99 HG3 LYS 542 HG3 LYS 542 -5.304 -13.790 0.659 100 HD2 LYS 542 HD2 LYS 542 -7.199 -13.059 2.145 101 HD3 LYS 542 HD3 LYS 542 -5.963 -11.832 1.956 102 HE2 LYS 542 HE2 LYS 542 -7.374 -10.394 0.857 103 HE3 LYS 542 HE3 LYS 542 -8.083 -11.671 -0.111 104 HZ2 LYS 542 HZ2 LYS 542 -9.674 -10.714 1.493 105 HZ3 LYS 542 HZ3 LYS 542 -9.455 -12.302 1.783 106 H GLY 543 H GLY 543 -2.592 -14.809 0.719 107 HA2 GLY 543 HA2 GLY 543 -2.361 -12.316 1.627 108 HA3 GLY 543 HA3 GLY 543 -4.102 -12.439 1.473 109 H PHE 544 H PHE 544 -4.897 -12.691 3.529 110 HA PHE 544 HA PHE 544 -4.105 -15.083 4.936 111 HB2 PHE 544 HB2 PHE 544 -3.320 -12.290 5.612 112 HB3 PHE 544 HB3 PHE 544 -4.177 -13.061 6.932 113 HD1 PHE 544 HD1 PHE 544 -3.305 -15.394 7.668 114 HD2 PHE 544 HD2 PHE 544 -1.040 -12.665 5.339 115 HE1 PHE 544 HE1 PHE 544 -1.192 -16.558 8.360 116 HE2 PHE 544 HE2 PHE 544 1.073 -13.828 6.030 117 HZ PHE 544 HZ PHE 544 0.973 -15.761 7.533 118 H ASN 545 H ASN 545 -5.657 -12.079 6.186 119 HA ASN 545 HA ASN 545 -8.234 -13.331 5.876 120 HB2 ASN 545 HB2 ASN 545 -7.355 -12.254 8.598 121 HB3 ASN 545 HB3 ASN 545 -8.823 -13.139 8.235 122 HD21 ASN 545 HD21 ASN 545 -5.450 -13.294 8.905 123 HD22 ASN 545 HD22 ASN 545 -5.271 -15.014 8.996 124 H SER 546 H SER 546 -6.620 -10.941 4.858 125 HA SER 546 HA SER 546 -7.356 -8.975 4.121 126 HB2 SER 546 HB2 SER 546 -9.229 -8.562 6.461 127 HB3 SER 546 HB3 SER 546 -9.336 -7.898 4.843 128 HG SER 546 HG SER 546 -10.835 -9.743 5.440 129 HA PRO 547 HA PRO 547 -4.604 -7.553 7.454 130 HB2 PRO 547 HB2 PRO 547 -2.343 -7.225 5.955 131 HB3 PRO 547 HB3 PRO 547 -2.689 -8.684 6.861 132 HG2 PRO 547 HG2 PRO 547 -2.868 -8.227 3.946 133 HG3 PRO 547 HG3 PRO 547 -2.792 -9.746 4.816 134 HD2 PRO 547 HD2 PRO 547 -5.123 -8.556 3.642 135 HD3 PRO 547 HD3 PRO 547 -5.066 -10.016 4.610 136 H TYR 548 H TYR 548 -3.945 -5.469 8.060 137 HA TYR 548 HA TYR 548 -5.107 -3.500 6.264 138 HB2 TYR 548 HB2 TYR 548 -4.244 -3.833 9.150 139 HB3 TYR 548 HB3 TYR 548 -4.159 -2.200 8.520 140 HD1 TYR 548 HD1 TYR 548 -6.468 -5.048 9.142 141 HD2 TYR 548 HD2 TYR 548 -6.123 -0.878 8.248 142 HE1 TYR 548 HE1 TYR 548 -8.952 -4.739 9.590 143 HE2 TYR 548 HE2 TYR 548 -8.608 -0.583 8.698 144 HH TYR 548 HH TYR 548 -10.690 -2.373 8.537 145 H ILE 549 H ILE 549 -3.952 -1.473 5.767 146 HA ILE 549 HA ILE 549 -1.040 -1.841 5.786 147 HB ILE 549 HB ILE 549 -2.732 -0.816 3.504 148 HG12 ILE 549 HG11 ILE 549 -1.421 -3.454 4.071 149 HG13 ILE 549 HG12 ILE 549 -3.007 -3.116 3.408 150 HG21 ILE 549 HG21 ILE 549 -0.243 0.052 4.096 151 HG22 ILE 549 HG22 ILE 549 0.148 -1.385 3.121 152 HG23 ILE 549 HG23 ILE 549 -0.878 -0.100 2.440 153 HD11 ILE 549 HD11 ILE 549 -1.388 -1.951 1.499 154 HD12 ILE 549 HD12 ILE 549 -0.389 -3.327 2.026 155 HD13 ILE 549 HD13 ILE 549 -2.032 -3.607 1.401 156 H HIS 550 H HIS 550 0.202 0.057 6.092 157 HA HIS 550 HA HIS 550 -1.386 2.438 6.693 158 HB2 HIS 550 HB2 HIS 550 -0.715 1.134 8.757 159 HB3 HIS 550 HB3 HIS 550 0.955 1.486 8.359 160 HD1 HIS 550 HD1 HIS 550 -1.618 4.161 7.756 161 HD2 HIS 550 HE2 HIS 550 1.191 3.101 10.685 162 HE1 HIS 550 HE1 HIS 550 -1.417 6.171 9.314 163 H TYR 551 H TYR 551 -0.778 4.057 5.356 164 HA TYR 551 HA TYR 551 2.062 4.143 4.588 165 HB2 TYR 551 HB2 TYR 551 0.493 5.404 2.593 166 HB3 TYR 551 HB3 TYR 551 1.181 3.798 2.459 167 HD1 TYR 551 HD1 TYR 551 -1.862 5.620 3.630 168 HD2 TYR 551 HD2 TYR 551 -0.214 1.905 2.292 169 HE1 TYR 551 HE1 TYR 551 -4.197 4.624 3.494 170 HE2 TYR 551 HE2 TYR 551 -2.555 0.922 2.161 171 HH TYR 551 HH TYR 551 -5.069 2.302 1.822 172 H ARG 552 H ARG 552 2.838 6.340 3.989 173 HA ARG 552 HA ARG 552 1.171 8.425 5.114 174 HB2 ARG 552 HB2 ARG 552 2.548 8.418 6.956 175 HB3 ARG 552 HB3 ARG 552 3.778 7.466 6.148 176 HG2 ARG 552 HG2 ARG 552 4.442 9.574 4.859 177 HG3 ARG 552 HG3 ARG 552 3.335 10.474 5.876 178 HD2 ARG 552 HD2 ARG 552 5.410 8.704 7.191 179 HD3 ARG 552 HD3 ARG 552 5.910 10.252 6.541 180 HE ARG 552 HE ARG 552 3.517 10.511 8.172 181 HH11 ARG 552 HH22 ARG 552 7.044 10.222 8.353 182 HH12 ARG 552 HH21 ARG 552 7.153 11.008 9.893 183 HH22 ARG 552 HH1 ARG 552 5.151 11.779 10.962 184 HA PRO 553 HA PRO 553 2.623 10.332 1.446 185 HB2 PRO 553 HB2 PRO 553 1.440 12.777 1.747 186 HB3 PRO 553 HB3 PRO 553 0.601 11.379 1.103 187 HG2 PRO 553 HG2 PRO 553 0.359 12.617 3.777 188 HG3 PRO 553 HG3 PRO 553 -0.742 11.517 2.973 189 HD2 PRO 553 HD2 PRO 553 1.096 10.872 5.078 190 HD3 PRO 553 HD3 PRO 553 0.078 9.751 4.196 191 H ALA 554 H ALA 554 4.011 12.021 0.577 192 HA ALA 554 HA ALA 554 6.287 12.308 2.011 193 HB1 ALA 554 HB1 ALA 554 5.279 14.506 0.191 194 HB2 ALA 554 HB2 ALA 554 6.931 13.868 0.367 195 HB3 ALA 554 HB3 ALA 554 5.683 12.896 -0.450 196 H GLY 555 H GLY 555 3.227 14.022 2.410 197 HA2 GLY 555 HA2 GLY 555 4.108 16.322 3.729 198 HA3 GLY 555 HA3 GLY 555 2.542 15.556 3.902 199 H GLY 556 H GLY 556 4.123 12.951 4.712 200 HA2 GLY 556 HA2 GLY 556 5.094 12.067 6.576 201 HA3 GLY 556 HA3 GLY 556 5.279 13.670 7.260 202 H SER 557 H SER 557 2.261 12.124 5.999 203 HA SER 557 HA SER 557 1.185 12.460 8.687 204 HB2 SER 557 HB2 SER 557 -0.881 12.009 6.720 205 HB3 SER 557 HB3 SER 557 -0.618 13.419 7.726 206 HG SER 557 HG SER 557 -0.444 14.149 5.614 207 H TRP 558 H TRP 558 0.186 10.686 9.718 208 HA TRP 558 HA TRP 558 0.267 8.168 8.198 209 HB2 TRP 558 HB2 TRP 558 1.046 8.750 11.048 210 HB3 TRP 558 HB3 TRP 558 0.618 7.137 10.515 211 HD1 TRP 558 HD TRP 558 3.543 9.480 10.606 212 HE1 TRP 558 HE1 TRP 558 5.666 8.515 9.371 213 HE3 TRP 558 HE3 TRP 558 1.118 5.639 8.322 214 HZ2 TRP 558 HZ2 TRP 558 6.084 6.303 7.617 215 HZ3 TRP 558 HZ3 TRP 558 2.457 4.123 6.865 216 HH2 TRP 558 HH TRP 558 4.856 4.406 6.497 217 H THR 559 H THR 559 -1.879 7.909 7.620 218 HA THR 559 HA THR 559 -4.080 8.935 8.847 219 HB THR 559 HB THR 559 -3.671 6.280 7.375 220 HG1 THR 559 HG1 THR 559 -4.439 9.045 6.771 221 HG21 THR 559 HG21 THR 559 -5.892 6.167 8.367 222 HG22 THR 559 HG22 THR 559 -6.185 7.891 8.038 223 HG23 THR 559 HG23 THR 559 -6.112 6.729 6.692 224 H ALA 560 H ALA 560 -5.896 7.551 9.937 225 HA ALA 560 HA ALA 560 -4.980 6.981 12.512 226 HB1 ALA 560 HB1 ALA 560 -7.344 6.051 12.756 227 HB2 ALA 560 HB2 ALA 560 -7.229 7.728 12.170 228 HB3 ALA 560 HB3 ALA 560 -7.567 6.407 11.026 229 H ALA 561 H ALA 561 -3.593 5.336 12.976 230 HA ALA 561 HA ALA 561 -3.383 3.023 11.402 231 HB1 ALA 561 HB1 ALA 561 -1.799 2.319 13.060 232 HB2 ALA 561 HB2 ALA 561 -1.642 4.087 12.926 233 HB3 ALA 561 HB3 ALA 561 -2.525 3.374 14.297 234 HA PRO 562 HA PRO 562 -3.199 1.213 11.205 235 HB2 PRO 562 HB2 PRO 562 -4.524 -0.704 9.778 236 HB3 PRO 562 HB3 PRO 562 -3.495 -1.070 11.148 237 HG2 PRO 562 HG2 PRO 562 -6.447 -1.063 10.997 238 HG3 PRO 562 HG3 PRO 562 -5.411 -1.818 12.191 239 HD2 PRO 562 HD2 PRO 562 -6.907 0.608 12.507 240 HD3 PRO 562 HD3 PRO 562 -5.781 -0.086 13.657 241 H GLY 563 H GLY 563 -2.742 1.976 9.152 242 HA2 GLY 563 HA2 GLY 563 -3.943 4.109 8.184 243 HA3 GLY 563 HA3 GLY 563 -3.296 2.875 7.121 244 H VAL 564 H VAL 564 -4.682 1.566 5.898 245 HA VAL 564 HA VAL 564 -7.535 1.772 6.490 246 HB VAL 564 HB VAL 564 -6.645 2.001 3.653 247 HG11 VAL 564 HG11 VAL 564 -8.783 3.723 4.200 248 HG12 VAL 564 HG12 VAL 564 -8.868 2.111 3.450 249 HG13 VAL 564 HG13 VAL 564 -9.086 2.288 5.208 250 HG21 VAL 564 HG21 VAL 564 -6.486 4.422 3.768 251 HG22 VAL 564 HG22 VAL 564 -6.791 4.391 5.521 252 HG23 VAL 564 HG23 VAL 564 -5.290 3.693 4.866 253 H LYS 565 H LYS 565 -8.801 0.032 5.420 254 HA LYS 565 HA LYS 565 -7.181 -2.373 5.318 255 HB2 LYS 565 HB2 LYS 565 -9.278 -2.132 6.729 256 HB3 LYS 565 HB3 LYS 565 -10.198 -2.127 5.238 257 HG2 LYS 565 HG2 LYS 565 -8.186 -4.330 5.526 258 HG3 LYS 565 HG3 LYS 565 -9.561 -4.405 6.609 259 HD2 LYS 565 HD2 LYS 565 -10.544 -3.730 3.978 260 HD3 LYS 565 HD3 LYS 565 -9.453 -5.091 3.809 261 HE2 LYS 565 HE2 LYS 565 -10.703 -6.370 5.508 262 HE3 LYS 565 HE3 LYS 565 -11.726 -4.988 5.849 263 HZ2 LYS 565 HZ2 LYS 565 -12.771 -5.185 3.769 264 HZ3 LYS 565 HZ3 LYS 565 -11.588 -6.090 3.110 265 H MET 566 H MET 566 -6.239 -2.804 3.388 266 HA MET 566 HA MET 566 -6.644 -1.793 1.026 267 HB2 MET 566 HB2 MET 566 -6.073 -4.646 1.897 268 HB3 MET 566 HB3 MET 566 -6.229 -4.324 0.182 269 HG2 MET 566 HG2 MET 566 -4.538 -2.285 1.400 270 HG3 MET 566 HG3 MET 566 -3.940 -3.874 1.833 271 HE1 MET 566 HE1 MET 566 -2.745 -1.643 -1.466 272 HE2 MET 566 HE2 MET 566 -2.903 -1.509 0.302 273 HE3 MET 566 HE3 MET 566 -1.678 -2.591 -0.404 274 H GLN 567 H GLN 567 -8.051 -1.867 -0.750 275 HA GLN 567 HA GLN 567 -10.543 -3.263 -0.195 276 HB2 GLN 567 HB2 GLN 567 -9.971 -0.607 -1.052 277 HB3 GLN 567 HB3 GLN 567 -10.693 -1.409 -2.433 278 HG2 GLN 567 HG2 GLN 567 -12.532 -2.246 -0.828 279 HG3 GLN 567 HG3 GLN 567 -11.867 -1.153 0.370 280 HE21 GLN 567 HE12 GLN 567 -13.285 0.424 0.546 281 HE22 GLN 567 HE22 GLN 567 -13.908 1.406 -0.739 282 H ASP 568 H ASP 568 -11.167 -4.972 -1.469 283 HA ASP 568 HA ASP 568 -9.532 -6.316 -3.044 284 HB2 ASP 568 HB2 ASP 568 -12.324 -6.303 -2.508 285 HB3 ASP 568 HB3 ASP 568 -12.201 -6.339 -4.256 286 HD2 ASP 568 HD ASP 568 -10.073 -7.997 -1.969 287 H ALA 569 H ALA 569 -9.169 -6.483 -5.403 288 HA ALA 569 HA ALA 569 -9.355 -3.903 -6.706 289 HB1 ALA 569 HB1 ALA 569 -7.705 -4.742 -8.165 290 HB2 ALA 569 HB2 ALA 569 -7.301 -5.492 -6.602 291 HB3 ALA 569 HB3 ALA 569 -8.153 -6.435 -7.848 292 H GLU 570 H GLU 570 -9.280 -5.733 -9.314 293 HA GLU 570 HA GLU 570 -12.147 -6.225 -9.377 294 HB2 GLU 570 HB2 GLU 570 -12.334 -5.173 -11.576 295 HB3 GLU 570 HB3 GLU 570 -11.678 -4.016 -10.435 296 HG2 GLU 570 HG2 GLU 570 -10.086 -3.694 -12.055 297 HG3 GLU 570 HG3 GLU 570 -9.346 -5.114 -11.344 298 HE2 GLU 570 HE GLU 570 -11.383 -5.028 -14.718 299 H ILE 571 H ILE 571 -9.248 -7.635 -9.381 300 HA ILE 571 HA ILE 571 -9.478 -9.186 -11.804 301 HB ILE 571 HB ILE 571 -7.551 -9.300 -9.481 302 HG12 ILE 571 HG11 ILE 571 -7.645 -7.250 -11.082 303 HG13 ILE 571 HG12 ILE 571 -6.100 -7.978 -10.689 304 HG21 ILE 571 HG21 ILE 571 -7.619 -11.481 -10.428 305 HG22 ILE 571 HG22 ILE 571 -7.614 -10.836 -12.087 306 HG23 ILE 571 HG23 ILE 571 -6.165 -10.677 -11.065 307 HD11 ILE 571 HD11 ILE 571 -7.657 -8.921 -13.116 308 HD12 ILE 571 HD12 ILE 571 -6.632 -7.468 -13.197 309 HD13 ILE 571 HD13 ILE 571 -5.911 -9.046 -12.796 310 H SER 572 H SER 572 -8.799 -10.475 -8.516 311 HA SER 572 HA SER 572 -11.183 -11.560 -7.922 312 HB2 SER 572 HB2 SER 572 -10.011 -12.929 -10.212 313 HB3 SER 572 HB3 SER 572 -10.145 -14.038 -8.862 314 HG SER 572 HG SER 572 -12.184 -14.216 -9.509 315 H GLY 573 H GLY 573 -10.446 -11.346 -5.793 316 HA2 GLY 573 HA2 GLY 573 -9.593 -12.344 -3.903 317 HA3 GLY 573 HA3 GLY 573 -8.572 -13.378 -4.881 318 H TYR 574 H TYR 574 -8.419 -10.153 -6.034 319 HA TYR 574 HA TYR 574 -5.858 -9.802 -4.649 320 HB2 TYR 574 HB2 TYR 574 -6.949 -9.522 -7.349 321 HB3 TYR 574 HB3 TYR 574 -6.442 -7.933 -6.814 322 HD1 TYR 574 HD2 TYR 574 -4.034 -7.596 -6.068 323 HD2 TYR 574 HD1 TYR 574 -5.362 -11.153 -8.041 324 HE1 TYR 574 HE2 TYR 574 -1.631 -8.171 -6.667 325 HE2 TYR 574 HE1 TYR 574 -2.955 -11.715 -8.633 326 HH TYR 574 HH TYR 574 -0.805 -11.259 -8.041 327 H ALA 575 H ALA 575 -5.231 -7.550 -4.056 328 HA ALA 575 HA ALA 575 -7.613 -6.023 -3.253 329 HB1 ALA 575 HB1 ALA 575 -6.823 -6.235 -1.160 330 HB2 ALA 575 HB2 ALA 575 -5.373 -7.081 -1.753 331 HB3 ALA 575 HB3 ALA 575 -5.387 -5.304 -1.650 332 H LYS 576 H LYS 576 -7.412 -3.675 -3.306 333 HA LYS 576 HA LYS 576 -5.091 -2.586 -4.618 334 HB2 LYS 576 HB2 LYS 576 -5.979 -2.033 -6.646 335 HB3 LYS 576 HB3 LYS 576 -6.808 -3.553 -6.375 336 HG2 LYS 576 HG2 LYS 576 -8.795 -2.365 -5.510 337 HG3 LYS 576 HG3 LYS 576 -7.965 -0.827 -5.626 338 HD2 LYS 576 HD2 LYS 576 -7.839 -2.228 -8.188 339 HD3 LYS 576 HD3 LYS 576 -9.502 -2.112 -7.647 340 HE2 LYS 576 HE2 LYS 576 -7.650 0.305 -7.605 341 HE3 LYS 576 HE3 LYS 576 -8.548 -0.133 -9.045 342 HZ2 LYS 576 HZ2 LYS 576 -9.946 1.340 -7.883 343 HZ3 LYS 576 HZ3 LYS 576 -10.579 -0.111 -7.502 344 H ILE 577 H ILE 577 -4.738 -0.498 -3.955 345 HA ILE 577 HA ILE 577 -6.998 0.877 -2.706 346 HB ILE 577 HB ILE 577 -6.022 1.146 -0.701 347 HG12 ILE 577 HG11 ILE 577 -3.496 1.058 -0.358 348 HG13 ILE 577 HG12 ILE 577 -3.344 1.036 -2.104 349 HG21 ILE 577 HG21 ILE 577 -4.705 -1.384 -1.715 350 HG22 ILE 577 HG22 ILE 577 -4.754 -0.891 -0.005 351 HG23 ILE 577 HG23 ILE 577 -6.268 -1.228 -0.878 352 HD11 ILE 577 HD11 ILE 577 -5.211 3.124 -1.187 353 HD12 ILE 577 HD12 ILE 577 -3.575 3.321 -0.513 354 HD13 ILE 577 HD13 ILE 577 -3.809 3.256 -2.276 355 H THR 578 H THR 578 -6.786 3.217 -2.694 356 HA THR 578 HA THR 578 -4.686 4.182 -4.518 357 HB THR 578 HB THR 578 -7.622 5.051 -4.485 358 HG1 THR 578 HG1 THR 578 -7.815 3.494 -6.122 359 HG21 THR 578 HG21 THR 578 -5.669 5.304 -6.790 360 HG22 THR 578 HG22 THR 578 -7.120 6.275 -6.441 361 HG23 THR 578 HG23 THR 578 -5.633 6.525 -5.495 362 H VAL 579 H VAL 579 -3.643 6.032 -3.947 363 HA VAL 579 HA VAL 579 -4.741 7.469 -1.641 364 HB VAL 579 HB VAL 579 -1.967 6.347 -2.005 365 HG11 VAL 579 HG11 VAL 579 -1.109 8.175 -1.049 366 HG12 VAL 579 HG12 VAL 579 -2.727 8.868 -0.784 367 HG13 VAL 579 HG13 VAL 579 -2.025 7.760 0.420 368 HG21 VAL 579 HG21 VAL 579 -2.440 4.959 -0.285 369 HG22 VAL 579 HG22 VAL 579 -3.374 6.193 0.594 370 HG23 VAL 579 HG23 VAL 579 -4.131 5.285 -0.737 371 H ASP 580 H ASP 580 -4.821 9.644 -1.958 372 HA ASP 580 HA ASP 580 -3.789 10.596 -4.447 373 HB2 ASP 580 HB2 ASP 580 -5.901 11.296 -2.641 374 HB3 ASP 580 HB3 ASP 580 -4.835 12.686 -2.712 375 HD2 ASP 580 HD ASP 580 -6.854 10.666 -4.490 376 H ILE 581 H ILE 581 -2.259 12.426 -4.598 377 HA ILE 581 HA ILE 581 -1.066 13.436 -2.199 378 HB ILE 581 HB ILE 581 1.191 12.650 -2.675 379 HG12 ILE 581 HG11 ILE 581 -0.055 10.813 -4.740 380 HG13 ILE 581 HG12 ILE 581 0.834 12.273 -5.127 381 HG21 ILE 581 HG21 ILE 581 -0.716 10.317 -2.381 382 HG22 ILE 581 HG22 ILE 581 0.955 10.441 -1.780 383 HG23 ILE 581 HG23 ILE 581 -0.321 11.465 -1.079 384 HD11 ILE 581 HD11 ILE 581 2.433 10.782 -3.262 385 HD12 ILE 581 HD12 ILE 581 1.876 9.657 -4.523 386 HD13 ILE 581 HD13 ILE 581 2.776 11.125 -4.974 387 H GLY 582 H GLY 582 -2.539 14.824 -3.994 388 HA2 GLY 582 HA2 GLY 582 -1.347 15.776 -6.294 389 HA3 GLY 582 HA3 GLY 582 -2.467 16.665 -5.281 390 H SER 583 H SER 583 -0.472 16.312 -2.915 391 HA SER 583 HA SER 583 1.386 18.363 -3.840 392 HB2 SER 583 HB2 SER 583 -0.602 18.632 -1.888 393 HB3 SER 583 HB3 SER 583 0.843 18.340 -0.940 394 HG SER 583 HG SER 583 0.107 20.650 -1.988 395 H ALA 584 H ALA 584 1.885 15.528 -3.994 396 HA ALA 584 HA ALA 584 4.277 15.418 -2.434 397 HB1 ALA 584 HB1 ALA 584 3.427 14.315 -0.666 398 HB2 ALA 584 HB2 ALA 584 1.837 14.161 -1.451 399 HB3 ALA 584 HB3 ALA 584 3.105 12.952 -1.764 400 H SER 585 H SER 585 5.782 13.997 -3.374 401 HA SER 585 HA SER 585 4.773 12.715 -5.791 402 HB2 SER 585 HB2 SER 585 6.663 14.668 -5.677 403 HB3 SER 585 HB3 SER 585 7.701 13.271 -5.479 404 HG SER 585 HG SER 585 6.554 14.223 -7.758 405 H GLN 586 H GLN 586 5.589 12.061 -2.657 406 HA GLN 586 HA GLN 586 6.325 9.370 -3.362 407 HB2 GLN 586 HB2 GLN 586 8.038 11.152 -1.584 408 HB3 GLN 586 HB3 GLN 586 8.151 9.403 -1.556 409 HG2 GLN 586 HG2 GLN 586 8.450 9.604 -4.164 410 HG3 GLN 586 HG3 GLN 586 8.798 11.291 -3.845 411 HE21 GLN 586 HE12 GLN 586 10.056 11.091 -1.374 412 HE22 GLN 586 HE22 GLN 586 11.590 10.308 -1.551 413 H LEU 587 H LEU 587 5.512 7.839 -1.886 414 HA LEU 587 HA LEU 587 4.483 8.834 0.641 415 HB2 LEU 587 HB2 LEU 587 2.576 9.209 -0.657 416 HB3 LEU 587 HB3 LEU 587 2.795 7.742 -1.589 417 HG LEU 587 HG LEU 587 2.435 7.171 1.251 418 HD11 LEU 587 HD11 LEU 587 1.036 8.966 1.573 419 HD12 LEU 587 HD12 LEU 587 0.472 8.976 -0.116 420 HD13 LEU 587 HD13 LEU 587 -0.116 7.731 1.012 421 HD21 LEU 587 HD21 LEU 587 1.077 6.324 -1.314 422 HD22 LEU 587 HD22 LEU 587 2.251 5.415 -0.333 423 HD23 LEU 587 HD23 LEU 587 0.611 5.714 0.292 424 H GLU 588 H GLU 588 4.843 7.382 2.259 425 HA GLU 588 HA GLU 588 6.030 4.893 1.434 426 HB2 GLU 588 HB2 GLU 588 6.397 4.730 4.021 427 HB3 GLU 588 HB3 GLU 588 7.327 5.902 3.108 428 HG2 GLU 588 HG2 GLU 588 4.672 6.854 4.118 429 HG3 GLU 588 HG3 GLU 588 5.879 6.527 5.346 430 HE2 GLU 588 HE GLU 588 8.187 8.605 4.419 431 H ALA 589 H ALA 589 5.268 2.803 2.098 432 HA ALA 589 HA ALA 589 2.613 2.789 3.334 433 HB1 ALA 589 HB1 ALA 589 2.636 0.715 1.421 434 HB2 ALA 589 HB2 ALA 589 1.688 2.221 1.365 435 HB3 ALA 589 HB3 ALA 589 3.284 2.143 0.579 436 H ALA 590 H ALA 590 2.145 0.842 4.521 437 HA ALA 590 HA ALA 590 4.395 -1.008 4.779 438 HB1 ALA 590 HB1 ALA 590 2.946 0.210 7.158 439 HB2 ALA 590 HB2 ALA 590 4.386 -0.836 7.176 440 HB3 ALA 590 HB3 ALA 590 4.499 0.822 6.539 441 H PHE 591 H PHE 591 3.733 -3.092 5.772 442 HA PHE 591 HA PHE 591 0.847 -3.525 5.449 443 HB2 PHE 591 HB2 PHE 591 2.949 -5.679 5.037 444 HB3 PHE 591 HB3 PHE 591 1.387 -5.528 4.258 445 HD1 PHE 591 HD2 PHE 591 1.341 -2.993 2.989 446 HD2 PHE 591 HD1 PHE 591 4.650 -5.601 3.495 447 HE1 PHE 591 HE2 PHE 591 2.445 -1.984 0.973 448 HE2 PHE 591 HE1 PHE 591 5.754 -4.592 1.479 449 HZ PHE 591 HZ PHE 591 4.638 -2.795 0.242 450 H ASN 592 H ASN 592 -0.183 -4.417 7.186 451 HA ASN 592 HA ASN 592 1.390 -6.026 8.986 452 HB2 ASN 592 HB2 ASN 592 0.659 -4.775 10.984 453 HB3 ASN 592 HB3 ASN 592 1.504 -3.683 9.904 454 HD21 ASN 592 HD21 ASN 592 0.293 -2.274 8.543 455 HD22 ASN 592 HD22 ASN 592 -1.289 -1.730 8.991 456 H ASP 593 H ASP 593 0.076 -7.688 9.893 457 HA ASP 593 HA ASP 593 -2.422 -8.078 8.718 458 HB2 ASP 593 HB2 ASP 593 -1.394 -10.081 9.322 459 HB3 ASP 593 HB3 ASP 593 -0.742 -9.424 10.810 460 HD2 ASP 593 HD ASP 593 -2.805 -11.864 10.188 461 H GLY 594 H GLY 594 -1.257 -6.510 11.666 462 HA2 GLY 594 HA2 GLY 594 -2.535 -4.993 12.887 463 HA3 GLY 594 HA3 GLY 594 -4.007 -5.793 12.377 464 H ASN 595 H ASN 595 -1.098 -7.513 13.586 465 HA ASN 595 HA ASN 595 -2.351 -7.838 16.154 466 HB2 ASN 595 HB2 ASN 595 -2.256 -10.310 16.066 467 HB3 ASN 595 HB3 ASN 595 -3.270 -9.717 14.765 468 HD21 ASN 595 HD21 ASN 595 -2.138 -12.225 14.735 469 HD22 ASN 595 HD22 ASN 595 -0.955 -12.345 13.475 470 H ASN 596 H ASN 596 0.004 -6.414 15.344 471 HA ASN 596 HA ASN 596 2.048 -6.138 16.049 472 HB2 ASN 596 HB2 ASN 596 1.252 -7.740 18.009 473 HB3 ASN 596 HB3 ASN 596 2.212 -8.956 17.191 474 HD21 ASN 596 HD21 ASN 596 3.527 -9.026 19.058 475 HD22 ASN 596 HD22 ASN 596 4.767 -7.852 19.346 476 H ASN 597 H ASN 597 1.316 -7.318 13.458 477 HA ASN 597 HA ASN 597 3.766 -8.817 12.968 478 HB2 ASN 597 HB2 ASN 597 0.947 -9.312 11.912 479 HB3 ASN 597 HB3 ASN 597 2.344 -9.892 11.028 480 HD21 ASN 597 HD21 ASN 597 1.988 -12.029 11.312 481 HD22 ASN 597 HD22 ASN 597 2.098 -12.858 12.829 482 H TRP 598 H TRP 598 4.387 -6.398 12.556 483 HA TRP 598 HA TRP 598 3.256 -5.310 10.110 484 HB2 TRP 598 HB2 TRP 598 5.278 -4.193 12.062 485 HB3 TRP 598 HB3 TRP 598 4.665 -3.353 10.651 486 HD1 TRP 598 HD TRP 598 2.791 -5.213 13.555 487 HE1 TRP 598 HE1 TRP 598 0.865 -3.690 14.521 488 HE3 TRP 598 HE3 TRP 598 3.684 -1.241 10.507 489 HZ2 TRP 598 HZ2 TRP 598 -0.049 -1.056 13.917 490 HZ3 TRP 598 HZ3 TRP 598 2.228 0.767 10.760 491 HH2 TRP 598 HH TRP 598 0.414 0.900 12.393 492 H ASP 599 H ASP 599 4.601 -4.846 8.241 493 HA ASP 599 HA ASP 599 7.091 -6.361 8.262 494 HB2 ASP 599 HB2 ASP 599 4.940 -7.223 6.908 495 HB3 ASP 599 HB3 ASP 599 5.461 -6.027 5.738 496 HD2 ASP 599 HD ASP 599 8.202 -6.423 5.865 497 H SER 600 H SER 600 7.162 -3.680 8.912 498 HA SER 600 HA SER 600 7.418 -2.161 6.485 499 HB2 SER 600 HB2 SER 600 6.535 -1.462 8.950 500 HB3 SER 600 HB3 SER 600 8.222 -1.032 9.149 501 HG SER 600 HG SER 600 7.972 0.200 7.067 502 H ASN 601 H ASN 601 9.262 -4.498 7.396 503 HA ASN 601 HA ASN 601 11.357 -4.922 6.840 504 HB2 ASN 601 HB2 ASN 601 11.254 -2.420 5.759 505 HB3 ASN 601 HB3 ASN 601 12.353 -2.085 7.082 506 HD21 ASN 601 HD21 ASN 601 13.136 -1.842 4.476 507 HD22 ASN 601 HD22 ASN 601 14.307 -3.050 4.065 508 H ASN 602 H ASN 602 11.115 -1.986 8.996 509 HA ASN 602 HA ASN 602 11.542 -3.224 11.340 510 HB2 ASN 602 HB2 ASN 602 13.959 -3.339 9.845 511 HB3 ASN 602 HB3 ASN 602 14.215 -2.041 10.995 512 HD21 ASN 602 HD21 ASN 602 14.446 -5.286 10.486 513 HD22 ASN 602 HD22 ASN 602 14.493 -5.879 12.113 514 H THR 603 H THR 603 13.351 -0.531 9.656 515 HA THR 603 HA THR 603 11.669 1.465 10.850 516 HB THR 603 HB THR 603 14.610 1.307 11.688 517 HG1 THR 603 HG1 THR 603 12.085 0.805 13.100 518 HG21 THR 603 HG21 THR 603 13.767 3.594 11.858 519 HG22 THR 603 HG22 THR 603 12.222 3.025 12.532 520 HG23 THR 603 HG23 THR 603 13.714 2.892 13.493 521 H LYS 604 H LYS 604 11.723 1.053 8.260 522 HA LYS 604 HA LYS 604 12.684 3.440 7.225 523 HB2 LYS 604 HB2 LYS 604 14.529 2.700 5.804 524 HB3 LYS 604 HB3 LYS 604 14.918 2.509 7.501 525 HG2 LYS 604 HG2 LYS 604 15.414 0.339 7.068 526 HG3 LYS 604 HG3 LYS 604 13.703 0.059 6.809 527 HD2 LYS 604 HD2 LYS 604 13.941 -0.078 4.536 528 HD3 LYS 604 HD3 LYS 604 15.021 1.300 4.468 529 HE2 LYS 604 HE2 LYS 604 16.933 0.001 4.691 530 HE3 LYS 604 HE3 LYS 604 16.150 -1.174 5.728 531 HZ2 LYS 604 HZ2 LYS 604 15.878 -0.967 2.782 532 HZ3 LYS 604 HZ3 LYS 604 16.508 -2.211 3.624 533 H ASN 605 H ASN 605 10.322 3.048 6.815 534 HA ASN 605 HA ASN 605 9.344 1.034 5.310 535 HB2 ASN 605 HB2 ASN 605 8.500 3.944 4.913 536 HB3 ASN 605 HB3 ASN 605 7.487 2.520 4.788 537 HD21 ASN 605 HD21 ASN 605 6.270 2.047 6.446 538 HD22 ASN 605 HD22 ASN 605 6.506 2.524 8.094 539 H TYR 606 H TYR 606 8.259 1.871 2.904 540 HA TYR 606 HA TYR 606 10.650 2.429 1.292 541 HB2 TYR 606 HB2 TYR 606 7.917 1.100 0.774 542 HB3 TYR 606 HB3 TYR 606 9.127 1.311 -0.476 543 HD1 TYR 606 HD2 TYR 606 11.178 -0.044 -0.488 544 HD2 TYR 606 HD1 TYR 606 8.184 -0.588 2.519 545 HE1 TYR 606 HE2 TYR 606 12.220 -2.271 0.157 546 HE2 TYR 606 HE1 TYR 606 9.236 -2.814 3.154 547 HH TYR 606 HH TYR 606 10.728 -4.304 2.655 548 H LEU 607 H LEU 607 10.214 3.619 -0.811 549 HA LEU 607 HA LEU 607 8.188 5.691 -0.325 550 HB2 LEU 607 HB2 LEU 607 10.177 6.630 -2.104 551 HB3 LEU 607 HB3 LEU 607 9.761 7.213 -0.505 552 HG LEU 607 HG LEU 607 11.725 4.969 -1.040 553 HD11 LEU 607 HD11 LEU 607 12.462 7.776 -0.218 554 HD12 LEU 607 HD12 LEU 607 13.506 6.477 -0.844 555 HD13 LEU 607 HD13 LEU 607 12.351 7.290 -1.927 556 HD21 LEU 607 HD21 LEU 607 10.376 5.590 1.294 557 HD22 LEU 607 HD22 LEU 607 11.891 4.665 1.162 558 HD23 LEU 607 HD23 LEU 607 11.942 6.414 1.488 559 H PHE 608 H PHE 608 6.543 5.746 -1.756 560 HA PHE 608 HA PHE 608 7.077 4.604 -4.406 561 HB2 PHE 608 HB2 PHE 608 4.470 4.525 -2.780 562 HB3 PHE 608 HB3 PHE 608 4.784 3.655 -4.269 563 HD1 PHE 608 HD2 PHE 608 7.595 2.697 -3.536 564 HD2 PHE 608 HD1 PHE 608 3.929 2.683 -1.397 565 HE1 PHE 608 HE2 PHE 608 8.375 0.713 -2.211 566 HE2 PHE 608 HE1 PHE 608 4.710 0.699 -0.072 567 HZ PHE 608 HZ PHE 608 6.924 -0.262 -0.495 568 H SER 609 H SER 609 6.027 5.620 -6.186 569 HA SER 609 HA SER 609 4.913 8.217 -5.469 570 HB2 SER 609 HB2 SER 609 7.041 8.302 -6.758 571 HB3 SER 609 HB3 SER 609 6.314 7.348 -8.036 572 HG SER 609 HG SER 609 5.352 9.938 -7.157 573 H THR 610 H THR 610 3.302 9.069 -7.231 574 HA THR 610 HA THR 610 1.106 7.417 -7.343 575 HB THR 610 HB THR 610 0.325 9.116 -9.056 576 HG1 THR 610 HG1 THR 610 2.097 10.767 -9.459 577 HG21 THR 610 HG21 THR 610 1.716 9.921 -6.500 578 HG22 THR 610 HG22 THR 610 1.267 11.215 -7.636 579 HG23 THR 610 HG23 THR 610 0.014 10.140 -6.971 580 H GLY 611 H GLY 611 -0.046 6.630 -9.370 581 HA2 GLY 611 HA2 GLY 611 0.310 5.838 -11.638 582 HA3 GLY 611 HA3 GLY 611 1.919 5.333 -11.162 583 H THR 612 H THR 612 1.422 3.134 -11.841 584 HA THR 612 HA THR 612 -0.421 1.758 -9.999 585 HB THR 612 HB THR 612 0.479 0.946 -12.812 586 HG1 THR 612 HG1 THR 612 -1.879 2.264 -11.662 587 HG21 THR 612 HG21 THR 612 -1.700 -0.011 -10.890 588 HG22 THR 612 HG22 THR 612 -1.729 -0.366 -12.634 589 HG23 THR 612 HG23 THR 612 -0.403 -0.986 -11.621 590 H SER 613 H SER 613 0.380 0.320 -8.594 591 HA SER 613 HA SER 613 2.934 -0.868 -9.246 592 HB2 SER 613 HB2 SER 613 3.088 1.279 -7.700 593 HB3 SER 613 HB3 SER 613 2.509 0.199 -6.446 594 HG SER 613 HG SER 613 4.918 -0.060 -8.025 595 H THR 614 H THR 614 3.387 -2.820 -7.844 596 HA THR 614 HA THR 614 0.977 -3.839 -6.515 597 HB THR 614 HB THR 614 2.683 -5.443 -8.483 598 HG1 THR 614 HG1 THR 614 1.569 -3.897 -9.727 599 HG21 THR 614 HG21 THR 614 0.205 -5.916 -6.844 600 HG22 THR 614 HG22 THR 614 0.178 -6.513 -8.521 601 HG23 THR 614 HG23 THR 614 1.433 -7.082 -7.394 602 H TYR 615 H TYR 615 1.427 -4.342 -4.474 603 HA TYR 615 HA TYR 615 4.222 -4.895 -3.818 604 HB2 TYR 615 HB2 TYR 615 3.428 -3.325 -2.257 605 HB3 TYR 615 HB3 TYR 615 1.754 -3.716 -2.600 606 HD1 TYR 615 HD1 TYR 615 4.541 -5.859 -1.288 607 HD2 TYR 615 HD2 TYR 615 0.707 -4.109 -0.557 608 HE1 TYR 615 HE1 TYR 615 4.378 -7.119 0.914 609 HE2 TYR 615 HE2 TYR 615 0.556 -5.374 1.643 610 HH TYR 615 HH TYR 615 3.267 -6.967 2.993 611 H THR 616 H THR 616 4.820 -7.003 -3.772 612 HA THR 616 HA THR 616 2.782 -8.946 -2.908 613 HB THR 616 HB THR 616 5.218 -9.218 -4.747 614 HG1 THR 616 HG1 THR 616 3.560 -8.439 -6.018 615 HG21 THR 616 HG21 THR 616 2.992 -11.252 -4.307 616 HG22 THR 616 HG22 THR 616 4.561 -11.491 -5.113 617 HG23 THR 616 HG23 THR 616 4.487 -11.314 -3.343 618 HA PRO 617 HA PRO 617 5.436 -9.204 0.557 619 HB2 PRO 617 HB2 PRO 617 3.645 -10.431 2.217 620 HB3 PRO 617 HB3 PRO 617 3.761 -8.690 2.051 621 HG2 PRO 617 HG2 PRO 617 1.712 -10.524 0.965 622 HG3 PRO 617 HG3 PRO 617 1.628 -8.786 1.177 623 HD2 PRO 617 HD2 PRO 617 2.054 -10.196 -1.284 624 HD3 PRO 617 HD3 PRO 617 2.085 -8.459 -1.052 625 H GLY 618 H GLY 618 6.287 -10.954 2.029 626 HA2 GLY 618 HA2 GLY 618 6.405 -13.409 0.388 627 HA3 GLY 618 HA3 GLY 618 7.686 -12.806 1.420 628 H SER 619 H SER 619 7.725 -14.888 2.534 629 HA SER 619 HA SER 619 5.526 -15.070 4.437 630 HB2 SER 619 HB2 SER 619 6.759 -17.203 2.715 631 HB3 SER 619 HB3 SER 619 6.298 -17.657 4.344 632 HG SER 619 HG SER 619 4.190 -17.447 3.866 633 H ASN 620 H ASN 620 6.153 -15.911 6.579 634 HA ASN 620 HA ASN 620 7.445 -16.071 8.311 635 HB2 ASN 620 HB2 ASN 620 9.300 -17.048 6.142 636 HB3 ASN 620 HB3 ASN 620 10.028 -16.679 7.692 637 HD21 ASN 620 HD21 ASN 620 9.565 -17.883 9.489 638 HD22 ASN 620 HD22 ASN 620 8.725 -19.398 9.450 639 H GLY 621 H GLY 621 7.022 -13.509 7.830 640 HA2 GLY 621 HA2 GLY 621 7.814 -11.386 7.699 641 HA3 GLY 621 HA3 GLY 621 8.939 -11.983 8.903 642 H ALA 622 H ALA 622 8.541 -12.447 5.311 643 HA ALA 622 HA ALA 622 11.358 -11.640 5.057 644 HB1 ALA 622 HB1 ALA 622 11.036 -14.078 4.732 645 HB2 ALA 622 HB2 ALA 622 9.837 -13.742 3.460 646 HB3 ALA 622 HB3 ALA 622 11.538 -13.273 3.227 647 H ALA 623 H ALA 623 11.250 -9.564 4.306 648 HA ALA 623 HA ALA 623 9.221 -8.320 3.060 649 HB1 ALA 623 HB1 ALA 623 10.912 -6.855 3.507 650 HB2 ALA 623 HB2 ALA 623 12.183 -8.041 3.121 651 HB3 ALA 623 HB3 ALA 623 11.351 -7.170 1.810 652 H GLY 624 H GLY 624 8.593 -7.879 0.862 653 HA2 GLY 624 HA2 GLY 624 9.326 -10.075 -0.972 654 HA3 GLY 624 HA3 GLY 624 7.802 -9.210 -0.959 655 H THR 625 H THR 625 7.710 -8.176 -2.929 656 HA THR 625 HA THR 625 9.648 -6.080 -3.386 657 HB THR 625 HB THR 625 10.055 -6.986 -5.756 658 HG1 THR 625 HG1 THR 625 8.387 -8.547 -5.883 659 HG21 THR 625 HG21 THR 625 11.737 -7.377 -3.875 660 HG22 THR 625 HG22 THR 625 10.906 -8.913 -3.533 661 HG23 THR 625 HG23 THR 625 11.715 -8.668 -5.100 662 H ILE 626 H ILE 626 8.970 -4.602 -5.135 663 HA ILE 626 HA ILE 626 6.050 -4.739 -5.444 664 HB ILE 626 HB ILE 626 7.363 -2.119 -5.683 665 HG12 ILE 626 HG11 ILE 626 7.214 -3.465 -2.969 666 HG13 ILE 626 HG12 ILE 626 8.694 -3.160 -3.857 667 HG21 ILE 626 HG21 ILE 626 5.337 -1.869 -3.887 668 HG22 ILE 626 HG22 ILE 626 5.144 -1.769 -5.653 669 HG23 ILE 626 HG23 ILE 626 4.804 -3.297 -4.806 670 HD11 ILE 626 HD11 ILE 626 8.758 -1.030 -3.097 671 HD12 ILE 626 HD12 ILE 626 7.140 -0.712 -3.768 672 HD13 ILE 626 HD13 ILE 626 7.308 -1.370 -2.122 673 H ARG 627 H ARG 627 5.218 -4.682 -7.491 674 HA ARG 627 HA ARG 627 7.199 -4.272 -9.586 675 HB2 ARG 627 HB2 ARG 627 4.902 -6.216 -9.295 676 HB3 ARG 627 HB3 ARG 627 5.312 -5.675 -10.910 677 HG2 ARG 627 HG2 ARG 627 7.673 -6.452 -9.283 678 HG3 ARG 627 HG3 ARG 627 6.549 -7.767 -9.559 679 HD2 ARG 627 HD1 ARG 627 7.902 -7.931 -11.468 680 HD3 ARG 627 HD2 ARG 627 6.591 -6.940 -12.077 681 HE ARG 627 HE ARG 627 8.704 -5.316 -10.907 682 HH11 ARG 627 HH22 ARG 627 7.775 -7.073 -13.841 683 HH12 ARG 627 HH21 ARG 627 8.770 -6.110 -14.882 684 HH22 ARG 627 HH1 ARG 627 10.079 -4.336 -13.943 685 H THR 628 H THR 628 6.838 -2.484 -10.870 686 HA THR 628 HA THR 628 4.403 -0.996 -10.528 687 HB THR 628 HB THR 628 6.147 -0.056 -12.660 688 HG1 THR 628 HG1 THR 628 8.111 -0.484 -11.675 689 HG21 THR 628 HG21 THR 628 6.546 1.096 -9.962 690 HG22 THR 628 HG22 THR 628 5.996 1.894 -11.455 691 HG23 THR 628 HG23 THR 628 4.830 1.022 -10.431 692 H GLY 629 H GLY 629 2.829 -0.495 -12.086 693 HA2 GLY 629 HA2 GLY 629 2.038 -0.686 -14.336 694 HA3 GLY 629 HA3 GLY 629 2.864 -2.225 -14.479 695 H ALA 630 H ALA 630 -0.096 -1.320 -14.689 696 HA ALA 630 HA ALA 630 -1.517 -2.365 -12.536 697 HB1 ALA 630 HB1 ALA 630 -3.064 -2.764 -14.845 698 HB2 ALA 630 HB2 ALA 630 -3.049 -1.316 -13.810 699 HB3 ALA 630 HB3 ALA 630 -2.001 -1.394 -15.246 700 HA PRO 631 HA PRO 631 -0.619 -6.591 -13.204 701 HB2 PRO 631 HB2 PRO 631 -1.870 -7.566 -10.979 702 HB3 PRO 631 HB3 PRO 631 -0.227 -6.958 -10.966 703 HG2 PRO 631 HG2 PRO 631 -2.684 -5.678 -9.937 704 HG3 PRO 631 HG3 PRO 631 -1.013 -5.303 -9.566 705 HD2 PRO 631 HD2 PRO 631 -2.757 -3.830 -11.303 706 HD3 PRO 631 HD3 PRO 631 -1.055 -3.524 -11.021 707 H SER 632 H SER 632 -1.611 -8.579 -13.838 708 HA SER 632 HA SER 632 -4.472 -8.414 -14.022 709 HB2 SER 632 HB2 SER 632 -3.649 -7.282 -16.097 710 HB3 SER 632 HB3 SER 632 -2.739 -8.720 -16.514 711 HG SER 632 HG SER 632 -4.777 -9.908 -16.583 712 H GLY 633 H GLY 633 -4.053 -10.193 -12.427 713 HA2 GLY 633 HA2 GLY 633 -3.654 -12.737 -13.842 714 HA3 GLY 633 HA3 GLY 633 -2.671 -12.388 -12.434 Start of MODEL 6 1 H1 GLY 530 H GLY 530 -5.086 20.652 2.027 2 HA2 GLY 530 HA2 GLY 530 -7.362 20.080 2.276 3 HA3 GLY 530 HA3 GLY 530 -7.283 21.152 0.892 4 H GLY 531 H GLY 531 -8.064 20.444 -1.067 5 HA2 GLY 531 HA2 GLY 531 -9.219 17.806 -1.182 6 HA3 GLY 531 HA3 GLY 531 -9.308 19.073 -2.389 7 H THR 532 H THR 532 -8.319 15.999 -2.070 8 HA THR 532 HA THR 532 -5.656 15.930 -2.876 9 HB THR 532 HB THR 532 -6.203 13.607 -3.460 10 HG1 THR 532 HG1 THR 532 -8.102 13.938 -4.708 11 HG21 THR 532 HG21 THR 532 -6.736 14.598 -0.961 12 HG22 THR 532 HG22 THR 532 -8.363 14.044 -1.423 13 HG23 THR 532 HG23 THR 532 -7.005 12.894 -1.399 14 H THR 533 H THR 533 -5.323 14.611 -5.210 15 HA THR 533 HA THR 533 -6.732 15.864 -7.352 16 HB THR 533 HB THR 533 -3.938 16.826 -6.561 17 HG1 THR 533 HG1 THR 533 -6.573 17.967 -7.177 18 HG21 THR 533 HG21 THR 533 -4.286 18.292 -8.677 19 HG22 THR 533 HG22 THR 533 -3.793 16.605 -8.961 20 HG23 THR 533 HG23 THR 533 -5.494 17.083 -9.176 21 H ASN 534 H ASN 534 -3.789 14.128 -6.217 22 HA ASN 534 HA ASN 534 -3.877 12.657 -8.719 23 HB2 ASN 534 HB2 ASN 534 -1.751 13.511 -6.868 24 HB3 ASN 534 HB3 ASN 534 -1.648 11.790 -7.182 25 HD21 ASN 534 HD21 ASN 534 -2.476 11.476 -9.702 26 HD22 ASN 534 HD22 ASN 534 -1.462 12.306 -10.834 27 H LYS 535 H LYS 535 -3.204 10.183 -8.353 28 HA LYS 535 HA LYS 535 -4.126 9.147 -5.809 29 HB2 LYS 535 HB2 LYS 535 -5.557 8.633 -8.424 30 HB3 LYS 535 HB3 LYS 535 -5.678 7.547 -7.054 31 HG2 LYS 535 HG2 LYS 535 -6.166 9.932 -5.796 32 HG3 LYS 535 HG3 LYS 535 -6.780 10.310 -7.393 33 HD2 LYS 535 HD2 LYS 535 -7.630 7.635 -6.475 34 HD3 LYS 535 HD3 LYS 535 -8.149 8.906 -5.385 35 HE2 LYS 535 HE2 LYS 535 -9.051 10.165 -7.427 36 HE3 LYS 535 HE3 LYS 535 -8.699 8.740 -8.384 37 HZ2 LYS 535 HZ2 LYS 535 -10.189 8.126 -6.002 38 HZ3 LYS 535 HZ3 LYS 535 -10.996 9.144 -6.984 39 H VAL 536 H VAL 536 -3.235 7.113 -5.322 40 HA VAL 536 HA VAL 536 -1.321 6.159 -7.340 41 HB VAL 536 HB VAL 536 -1.000 5.739 -4.388 42 HG11 VAL 536 HG11 VAL 536 0.401 4.806 -6.528 43 HG12 VAL 536 HG12 VAL 536 1.309 6.290 -6.157 44 HG13 VAL 536 HG13 VAL 536 1.089 5.045 -4.904 45 HG21 VAL 536 HG21 VAL 536 0.638 7.905 -4.990 46 HG22 VAL 536 HG22 VAL 536 -0.911 8.313 -5.768 47 HG23 VAL 536 HG23 VAL 536 -0.859 7.944 -4.027 48 H THR 537 H THR 537 -1.494 4.051 -7.982 49 HA THR 537 HA THR 537 -3.579 2.479 -6.640 50 HB THR 537 HB THR 537 -2.309 2.294 -9.423 51 HG1 THR 537 HG1 THR 537 -4.219 3.417 -9.958 52 HG21 THR 537 HG21 THR 537 -3.951 0.640 -9.942 53 HG22 THR 537 HG22 THR 537 -3.353 0.130 -8.345 54 HG23 THR 537 HG23 THR 537 -4.899 1.001 -8.480 55 H VAL 538 H VAL 538 -3.049 0.857 -5.327 56 HA VAL 538 HA VAL 538 -0.416 -0.372 -5.760 57 HB VAL 538 HB VAL 538 -1.534 -0.262 -3.016 58 HG11 VAL 538 HG11 VAL 538 1.123 0.485 -2.954 59 HG12 VAL 538 HG12 VAL 538 0.504 -1.174 -2.774 60 HG13 VAL 538 HG13 VAL 538 1.052 -0.597 -4.366 61 HG21 VAL 538 HG21 VAL 538 -1.991 2.015 -3.689 62 HG22 VAL 538 HG22 VAL 538 -0.558 2.003 -2.632 63 HG23 VAL 538 HG23 VAL 538 -0.364 2.178 -4.393 64 H TYR 539 H TYR 539 -0.525 -2.526 -6.139 65 HA TYR 539 HA TYR 539 -3.037 -3.859 -5.382 66 HB2 TYR 539 HB2 TYR 539 -1.292 -3.672 -7.775 67 HB3 TYR 539 HB3 TYR 539 -1.499 -5.345 -7.298 68 HD1 TYR 539 HD1 TYR 539 -3.694 -2.305 -7.611 69 HD2 TYR 539 HD2 TYR 539 -3.181 -6.477 -8.408 70 HE1 TYR 539 HE1 TYR 539 -5.950 -2.366 -8.783 71 HE2 TYR 539 HE2 TYR 539 -5.438 -6.524 -9.577 72 HH TYR 539 HH TYR 539 -7.165 -5.395 -10.197 73 H TYR 540 H TYR 540 -2.915 -5.429 -3.857 74 HA TYR 540 HA TYR 540 -0.264 -6.630 -3.412 75 HB2 TYR 540 HB2 TYR 540 -0.780 -5.265 -1.489 76 HB3 TYR 540 HB3 TYR 540 -2.502 -5.545 -1.647 77 HD1 TYR 540 HD1 TYR 540 0.665 -7.391 -0.857 78 HD2 TYR 540 HD2 TYR 540 -3.548 -7.047 -0.201 79 HE1 TYR 540 HE1 TYR 540 0.788 -9.197 0.928 80 HE2 TYR 540 HE2 TYR 540 -3.411 -8.854 1.582 81 HH TYR 540 HH TYR 540 -2.157 -10.361 2.520 82 H LYS 541 H LYS 541 -0.161 -8.865 -3.169 83 HA LYS 541 HA LYS 541 -2.608 -10.257 -3.903 84 HB2 LYS 541 HB2 LYS 541 -0.327 -10.534 -5.073 85 HB3 LYS 541 HB3 LYS 541 0.153 -11.456 -3.663 86 HG2 LYS 541 HG2 LYS 541 -1.600 -13.091 -4.013 87 HG3 LYS 541 HG3 LYS 541 -2.403 -12.082 -5.199 88 HD2 LYS 541 HD2 LYS 541 -1.109 -12.892 -6.882 89 HD3 LYS 541 HD3 LYS 541 0.365 -12.535 -6.004 90 HE2 LYS 541 HE2 LYS 541 -1.315 -14.942 -5.228 91 HE3 LYS 541 HE3 LYS 541 -0.218 -15.044 -6.591 92 HZ2 LYS 541 HZ2 LYS 541 1.608 -14.423 -5.125 93 HZ3 LYS 541 HZ3 LYS 541 0.607 -14.223 -3.856 94 H LYS 542 H LYS 542 -3.916 -10.942 -2.301 95 HA LYS 542 HA LYS 542 -2.791 -11.320 0.335 96 HB2 LYS 542 HB2 LYS 542 -4.767 -10.236 0.616 97 HB3 LYS 542 HB3 LYS 542 -5.483 -10.904 -0.836 98 HG2 LYS 542 HG2 LYS 542 -5.793 -13.096 0.297 99 HG3 LYS 542 HG3 LYS 542 -5.016 -12.478 1.741 100 HD2 LYS 542 HD2 LYS 542 -7.561 -12.455 1.811 101 HD3 LYS 542 HD3 LYS 542 -6.805 -10.914 2.164 102 HE2 LYS 542 HE2 LYS 542 -7.420 -9.973 0.088 103 HE3 LYS 542 HE3 LYS 542 -7.548 -11.532 -0.702 104 HZ2 LYS 542 HZ2 LYS 542 -9.596 -11.957 0.412 105 HZ3 LYS 542 HZ3 LYS 542 -9.414 -10.718 1.454 106 H GLY 543 H GLY 543 -2.888 -14.774 0.759 107 HA2 GLY 543 HA2 GLY 543 -1.552 -12.847 1.836 108 HA3 GLY 543 HA3 GLY 543 -3.090 -12.011 1.752 109 H PHE 544 H PHE 544 -4.101 -12.007 3.708 110 HA PHE 544 HA PHE 544 -3.915 -14.479 5.283 111 HB2 PHE 544 HB2 PHE 544 -4.421 -11.572 6.155 112 HB3 PHE 544 HB3 PHE 544 -4.149 -12.925 7.235 113 HD1 PHE 544 HD1 PHE 544 -2.454 -11.160 4.413 114 HD2 PHE 544 HD2 PHE 544 -2.031 -13.219 8.099 115 HE1 PHE 544 HE1 PHE 544 0.009 -10.677 4.400 116 HE2 PHE 544 HE2 PHE 544 0.432 -12.736 8.086 117 HZ PHE 544 HZ PHE 544 1.423 -11.471 6.236 118 H ASN 545 H ASN 545 -5.956 -12.431 6.890 119 HA ASN 545 HA ASN 545 -8.248 -13.685 5.616 120 HB2 ASN 545 HB2 ASN 545 -8.247 -12.317 8.342 121 HB3 ASN 545 HB3 ASN 545 -9.371 -13.523 7.747 122 HD21 ASN 545 HD21 ASN 545 -7.826 -15.449 6.698 123 HD22 ASN 545 HD22 ASN 545 -6.812 -16.190 7.891 124 H SER 546 H SER 546 -7.101 -10.629 7.234 125 HA SER 546 HA SER 546 -8.193 -9.020 5.234 126 HB2 SER 546 HB2 SER 546 -9.769 -9.245 7.827 127 HB3 SER 546 HB3 SER 546 -9.858 -7.816 6.816 128 HG SER 546 HG SER 546 -11.530 -9.504 6.414 129 HA PRO 547 HA PRO 547 -5.039 -7.335 8.099 130 HB2 PRO 547 HB2 PRO 547 -2.921 -7.242 6.375 131 HB3 PRO 547 HB3 PRO 547 -3.191 -8.566 7.491 132 HG2 PRO 547 HG2 PRO 547 -3.630 -8.487 4.569 133 HG3 PRO 547 HG3 PRO 547 -3.483 -9.882 5.619 134 HD2 PRO 547 HD2 PRO 547 -5.904 -8.815 4.511 135 HD3 PRO 547 HD3 PRO 547 -5.768 -10.137 5.653 136 H TYR 548 H TYR 548 -4.418 -5.199 8.408 137 HA TYR 548 HA TYR 548 -5.604 -3.479 6.371 138 HB2 TYR 548 HB2 TYR 548 -4.989 -3.527 9.305 139 HB3 TYR 548 HB3 TYR 548 -4.632 -1.980 8.564 140 HD1 TYR 548 HD2 TYR 548 -6.453 -0.653 7.490 141 HD2 TYR 548 HD1 TYR 548 -7.260 -4.260 9.644 142 HE1 TYR 548 HE2 TYR 548 -8.909 -0.017 7.649 143 HE2 TYR 548 HE1 TYR 548 -9.713 -3.612 9.796 144 HH TYR 548 HH TYR 548 -10.799 -0.482 9.054 145 H ILE 549 H ILE 549 -4.445 -1.426 5.799 146 HA ILE 549 HA ILE 549 -1.538 -1.837 5.835 147 HB ILE 549 HB ILE 549 -1.959 -2.356 3.663 148 HG12 ILE 549 HG11 ILE 549 -1.983 0.618 3.219 149 HG13 ILE 549 HG12 ILE 549 -0.610 -0.132 4.008 150 HG21 ILE 549 HG21 ILE 549 -3.723 -1.096 2.283 151 HG22 ILE 549 HG22 ILE 549 -4.288 -2.258 3.508 152 HG23 ILE 549 HG23 ILE 549 -4.336 -0.512 3.849 153 HD11 ILE 549 HD11 ILE 549 -1.366 -0.175 1.182 154 HD12 ILE 549 HD12 ILE 549 0.176 -0.638 1.942 155 HD13 ILE 549 HD13 ILE 549 -1.145 -1.824 1.814 156 H HIS 550 H HIS 550 -0.262 0.015 6.157 157 HA HIS 550 HA HIS 550 -1.777 2.471 6.626 158 HB2 HIS 550 HB2 HIS 550 -1.330 1.311 8.775 159 HB3 HIS 550 HB3 HIS 550 0.389 1.365 8.436 160 HD1 HIS 550 HD1 HIS 550 -1.506 4.418 7.455 161 HD2 HIS 550 HE2 HIS 550 0.618 3.019 10.790 162 HE1 HIS 550 HE1 HIS 550 -1.085 6.451 8.938 163 H TYR 551 H TYR 551 -1.034 4.039 5.296 164 HA TYR 551 HA TYR 551 1.814 3.909 4.562 165 HB2 TYR 551 HB2 TYR 551 0.419 5.389 2.617 166 HB3 TYR 551 HB3 TYR 551 0.846 3.698 2.448 167 HD1 TYR 551 HD1 TYR 551 -1.849 5.826 3.969 168 HD2 TYR 551 HD2 TYR 551 -0.846 2.175 1.978 169 HE1 TYR 551 HE1 TYR 551 -4.312 5.211 3.840 170 HE2 TYR 551 HE2 TYR 551 -3.313 1.572 1.856 171 HH TYR 551 HH TYR 551 -5.379 2.414 2.016 172 H ARG 552 H ARG 552 2.793 6.048 4.011 173 HA ARG 552 HA ARG 552 1.386 8.214 5.335 174 HB2 ARG 552 HB2 ARG 552 2.926 8.036 7.027 175 HB3 ARG 552 HB3 ARG 552 3.968 6.988 6.085 176 HG2 ARG 552 HG2 ARG 552 5.088 8.819 5.046 177 HG3 ARG 552 HG3 ARG 552 3.804 9.947 5.431 178 HD2 ARG 552 HD2 ARG 552 5.308 10.550 7.093 179 HD3 ARG 552 HD3 ARG 552 4.451 9.291 7.960 180 HE ARG 552 HE ARG 552 6.403 8.016 7.939 181 HH11 ARG 552 HH22 ARG 552 6.590 10.369 5.297 182 HH12 ARG 552 HH21 ARG 552 8.207 9.932 4.857 183 HH22 ARG 552 HH1 ARG 552 9.332 8.207 6.083 184 HA PRO 553 HA PRO 553 2.643 10.239 1.665 185 HB2 PRO 553 HB2 PRO 553 1.833 12.780 2.263 186 HB3 PRO 553 HB3 PRO 553 0.748 11.547 1.652 187 HG2 PRO 553 HG2 PRO 553 0.997 12.599 4.403 188 HG3 PRO 553 HG3 PRO 553 -0.328 11.704 3.686 189 HD2 PRO 553 HD2 PRO 553 1.654 10.684 5.491 190 HD3 PRO 553 HD3 PRO 553 0.400 9.764 4.684 191 H ALA 554 H ALA 554 4.221 11.602 0.704 192 HA ALA 554 HA ALA 554 6.607 11.598 2.016 193 HB1 ALA 554 HB1 ALA 554 6.525 11.954 -0.342 194 HB2 ALA 554 HB2 ALA 554 5.487 13.390 -0.164 195 HB3 ALA 554 HB3 ALA 554 7.190 13.453 0.350 196 H GLY 555 H GLY 555 3.844 13.722 2.470 197 HA2 GLY 555 HA2 GLY 555 4.989 16.025 3.459 198 HA3 GLY 555 HA3 GLY 555 3.454 15.352 3.968 199 H GLY 556 H GLY 556 5.055 12.770 4.785 200 HA2 GLY 556 HA2 GLY 556 6.405 12.088 6.521 201 HA3 GLY 556 HA3 GLY 556 6.571 13.743 7.072 202 H SER 557 H SER 557 3.335 12.598 6.258 203 HA SER 557 HA SER 557 2.740 12.650 9.102 204 HB2 SER 557 HB2 SER 557 0.289 12.652 7.858 205 HB3 SER 557 HB3 SER 557 1.162 14.097 8.327 206 HG SER 557 HG SER 557 0.405 13.982 6.031 207 H TRP 558 H TRP 558 0.745 11.129 9.673 208 HA TRP 558 HA TRP 558 0.954 8.626 8.167 209 HB2 TRP 558 HB2 TRP 558 1.443 9.010 11.113 210 HB3 TRP 558 HB3 TRP 558 0.886 7.479 10.467 211 HD1 TRP 558 HD TRP 558 4.029 9.612 10.726 212 HE1 TRP 558 HE1 TRP 558 6.153 8.354 9.792 213 HE3 TRP 558 HE3 TRP 558 1.472 5.744 8.639 214 HZ2 TRP 558 HZ2 TRP 558 6.517 5.938 8.318 215 HZ3 TRP 558 HZ3 TRP 558 2.787 3.978 7.471 216 HH2 TRP 558 HH TRP 558 5.224 4.031 7.292 217 H THR 559 H THR 559 -1.094 8.120 7.524 218 HA THR 559 HA THR 559 -3.347 9.499 8.442 219 HB THR 559 HB THR 559 -3.107 6.798 7.014 220 HG1 THR 559 HG1 THR 559 -2.006 8.411 5.822 221 HG21 THR 559 HG21 THR 559 -5.309 8.907 7.220 222 HG22 THR 559 HG22 THR 559 -5.232 7.741 5.878 223 HG23 THR 559 HG23 THR 559 -5.443 7.163 7.548 224 H ALA 560 H ALA 560 -5.372 8.301 9.307 225 HA ALA 560 HA ALA 560 -4.842 7.606 11.936 226 HB1 ALA 560 HB1 ALA 560 -7.129 7.784 10.111 227 HB2 ALA 560 HB2 ALA 560 -7.321 6.484 11.311 228 HB3 ALA 560 HB3 ALA 560 -7.028 8.155 11.849 229 H ALA 561 H ALA 561 -3.630 5.886 12.574 230 HA ALA 561 HA ALA 561 -3.540 3.512 10.974 231 HB1 ALA 561 HB1 ALA 561 -1.502 3.664 11.944 232 HB2 ALA 561 HB2 ALA 561 -2.103 4.723 13.243 233 HB3 ALA 561 HB3 ALA 561 -2.283 2.958 13.379 234 HA PRO 562 HA PRO 562 -3.462 1.680 10.889 235 HB2 PRO 562 HB2 PRO 562 -5.000 -0.244 9.706 236 HB3 PRO 562 HB3 PRO 562 -3.880 -0.581 11.011 237 HG2 PRO 562 HG2 PRO 562 -6.830 -0.414 11.098 238 HG3 PRO 562 HG3 PRO 562 -5.738 -1.150 12.254 239 HD2 PRO 562 HD2 PRO 562 -7.074 1.373 12.522 240 HD3 PRO 562 HD3 PRO 562 -5.894 0.691 13.622 241 H GLY 563 H GLY 563 -3.140 2.283 8.759 242 HA2 GLY 563 HA2 GLY 563 -4.411 4.418 7.782 243 HA3 GLY 563 HA3 GLY 563 -3.746 3.164 6.754 244 H VAL 564 H VAL 564 -5.114 1.744 5.632 245 HA VAL 564 HA VAL 564 -7.962 1.907 6.267 246 HB VAL 564 HB VAL 564 -7.031 2.049 3.420 247 HG11 VAL 564 HG11 VAL 564 -9.571 2.392 4.934 248 HG12 VAL 564 HG12 VAL 564 -9.319 3.463 3.536 249 HG13 VAL 564 HG13 VAL 564 -9.277 1.697 3.322 250 HG21 VAL 564 HG21 VAL 564 -7.553 4.484 5.156 251 HG22 VAL 564 HG22 VAL 564 -5.938 3.923 4.661 252 HG23 VAL 564 HG23 VAL 564 -7.108 4.462 3.433 253 H LYS 565 H LYS 565 -9.201 0.086 5.269 254 HA LYS 565 HA LYS 565 -7.576 -2.298 5.398 255 HB2 LYS 565 HB2 LYS 565 -10.000 -1.735 6.407 256 HB3 LYS 565 HB3 LYS 565 -10.509 -2.408 4.871 257 HG2 LYS 565 HG2 LYS 565 -8.388 -4.060 5.990 258 HG3 LYS 565 HG3 LYS 565 -9.639 -3.827 7.196 259 HD2 LYS 565 HD2 LYS 565 -10.741 -4.377 4.506 260 HD3 LYS 565 HD3 LYS 565 -9.715 -5.672 5.092 261 HE2 LYS 565 HE2 LYS 565 -11.671 -6.353 6.111 262 HE3 LYS 565 HE3 LYS 565 -11.136 -5.247 7.361 263 HZ2 LYS 565 HZ2 LYS 565 -13.172 -4.335 6.980 264 HZ3 LYS 565 HZ3 LYS 565 -12.449 -3.572 5.737 265 H MET 566 H MET 566 -6.551 -3.030 3.620 266 HA MET 566 HA MET 566 -6.655 -2.140 1.163 267 HB2 MET 566 HB2 MET 566 -6.393 -4.988 2.218 268 HB3 MET 566 HB3 MET 566 -6.249 -4.690 0.497 269 HG2 MET 566 HG2 MET 566 -4.602 -2.711 1.598 270 HG3 MET 566 HG3 MET 566 -4.341 -4.068 2.675 271 HE1 MET 566 HE1 MET 566 -1.716 -3.231 0.020 272 HE2 MET 566 HE2 MET 566 -2.944 -3.057 -1.256 273 HE3 MET 566 HE3 MET 566 -3.165 -2.239 0.309 274 H GLN 567 H GLN 567 -7.956 -2.146 -0.665 275 HA GLN 567 HA GLN 567 -10.543 -3.408 -0.287 276 HB2 GLN 567 HB2 GLN 567 -9.577 -1.121 -2.037 277 HB3 GLN 567 HB3 GLN 567 -11.128 -1.886 -2.316 278 HG2 GLN 567 HG2 GLN 567 -11.318 -1.477 0.378 279 HG3 GLN 567 HG3 GLN 567 -10.247 -0.153 -0.034 280 HE21 GLN 567 HE12 GLN 567 -11.854 1.332 0.501 281 HE22 GLN 567 HE22 GLN 567 -13.193 1.680 -0.541 282 H ASP 568 H ASP 568 -10.859 -5.359 -1.259 283 HA ASP 568 HA ASP 568 -9.177 -6.717 -2.743 284 HB2 ASP 568 HB2 ASP 568 -11.921 -6.889 -2.130 285 HB3 ASP 568 HB3 ASP 568 -11.888 -6.978 -3.879 286 HD2 ASP 568 HD ASP 568 -9.535 -9.709 -2.252 287 H ALA 569 H ALA 569 -8.835 -7.094 -5.086 288 HA ALA 569 HA ALA 569 -9.097 -4.664 -6.611 289 HB1 ALA 569 HB1 ALA 569 -8.030 -7.254 -7.709 290 HB2 ALA 569 HB2 ALA 569 -7.463 -5.588 -7.977 291 HB3 ALA 569 HB3 ALA 569 -7.111 -6.412 -6.439 292 H GLU 570 H GLU 570 -9.219 -6.375 -9.162 293 HA GLU 570 HA GLU 570 -12.078 -6.938 -9.018 294 HB2 GLU 570 HB2 GLU 570 -12.348 -6.010 -11.272 295 HB3 GLU 570 HB3 GLU 570 -11.648 -4.801 -10.214 296 HG2 GLU 570 HG2 GLU 570 -9.445 -6.254 -11.309 297 HG3 GLU 570 HG3 GLU 570 -10.540 -5.963 -12.645 298 HE2 GLU 570 HE GLU 570 -7.969 -3.715 -11.512 299 H ILE 571 H ILE 571 -9.123 -8.327 -9.202 300 HA ILE 571 HA ILE 571 -9.577 -10.040 -11.473 301 HB ILE 571 HB ILE 571 -7.428 -9.839 -9.374 302 HG12 ILE 571 HG11 ILE 571 -7.212 -9.466 -12.366 303 HG13 ILE 571 HG12 ILE 571 -7.644 -8.152 -11.290 304 HG21 ILE 571 HG21 ILE 571 -6.622 -11.547 -11.505 305 HG22 ILE 571 HG22 ILE 571 -6.764 -11.915 -9.769 306 HG23 ILE 571 HG23 ILE 571 -8.156 -12.168 -10.849 307 HD11 ILE 571 HD11 ILE 571 -5.060 -9.751 -11.350 308 HD12 ILE 571 HD12 ILE 571 -5.278 -7.991 -11.506 309 HD13 ILE 571 HD13 ILE 571 -5.521 -8.782 -9.930 310 H SER 572 H SER 572 -8.432 -11.314 -8.355 311 HA SER 572 HA SER 572 -10.796 -12.316 -7.413 312 HB2 SER 572 HB2 SER 572 -11.170 -13.725 -9.263 313 HB3 SER 572 HB3 SER 572 -9.465 -14.060 -9.489 314 HG SER 572 HG SER 572 -10.000 -15.894 -8.480 315 H GLY 573 H GLY 573 -9.804 -11.883 -5.405 316 HA2 GLY 573 HA2 GLY 573 -8.797 -12.860 -3.545 317 HA3 GLY 573 HA3 GLY 573 -7.776 -13.833 -4.585 318 H TYR 574 H TYR 574 -7.997 -10.605 -5.757 319 HA TYR 574 HA TYR 574 -5.352 -10.043 -4.621 320 HB2 TYR 574 HB2 TYR 574 -6.955 -9.456 -7.133 321 HB3 TYR 574 HB3 TYR 574 -5.818 -8.218 -6.638 322 HD1 TYR 574 HD1 TYR 574 -5.582 -11.965 -6.574 323 HD2 TYR 574 HD2 TYR 574 -3.998 -8.288 -8.083 324 HE1 TYR 574 HE1 TYR 574 -3.696 -13.236 -7.711 325 HE2 TYR 574 HE2 TYR 574 -2.118 -9.571 -9.216 326 HH TYR 574 HH TYR 574 -2.171 -13.009 -9.454 327 H ALA 575 H ALA 575 -4.855 -7.766 -4.047 328 HA ALA 575 HA ALA 575 -7.270 -6.407 -3.061 329 HB1 ALA 575 HB1 ALA 575 -5.944 -7.349 -1.236 330 HB2 ALA 575 HB2 ALA 575 -4.473 -6.572 -1.869 331 HB3 ALA 575 HB3 ALA 575 -5.801 -5.575 -1.227 332 H LYS 576 H LYS 576 -7.230 -4.056 -3.110 333 HA LYS 576 HA LYS 576 -5.062 -2.811 -4.543 334 HB2 LYS 576 HB2 LYS 576 -6.106 -2.301 -6.506 335 HB3 LYS 576 HB3 LYS 576 -6.831 -3.866 -6.199 336 HG2 LYS 576 HG2 LYS 576 -8.807 -2.767 -5.155 337 HG3 LYS 576 HG3 LYS 576 -8.077 -1.193 -5.400 338 HD2 LYS 576 HD2 LYS 576 -8.106 -2.709 -7.905 339 HD3 LYS 576 HD3 LYS 576 -9.718 -2.621 -7.224 340 HE2 LYS 576 HE2 LYS 576 -9.721 -0.608 -8.372 341 HE3 LYS 576 HE3 LYS 576 -9.048 -0.040 -6.857 342 HZ2 LYS 576 HZ2 LYS 576 -7.829 0.085 -9.334 343 HZ3 LYS 576 HZ3 LYS 576 -7.135 0.447 -7.906 344 H ILE 577 H ILE 577 -4.732 -0.795 -3.731 345 HA ILE 577 HA ILE 577 -7.014 0.476 -2.402 346 HB ILE 577 HB ILE 577 -5.965 0.753 -0.430 347 HG12 ILE 577 HG11 ILE 577 -3.426 0.710 -0.185 348 HG13 ILE 577 HG12 ILE 577 -3.342 0.724 -1.936 349 HG21 ILE 577 HG21 ILE 577 -5.014 -1.266 0.315 350 HG22 ILE 577 HG22 ILE 577 -6.091 -1.720 -1.027 351 HG23 ILE 577 HG23 ILE 577 -4.332 -1.637 -1.287 352 HD11 ILE 577 HD11 ILE 577 -3.564 2.972 -0.287 353 HD12 ILE 577 HD12 ILE 577 -3.850 2.938 -2.044 354 HD13 ILE 577 HD13 ILE 577 -5.215 2.755 -0.917 355 H THR 578 H THR 578 -6.894 2.821 -2.334 356 HA THR 578 HA THR 578 -5.020 3.873 -4.352 357 HB THR 578 HB THR 578 -7.871 4.779 -3.686 358 HG1 THR 578 HG1 THR 578 -8.382 3.375 -5.366 359 HG21 THR 578 HG21 THR 578 -5.722 5.688 -5.597 360 HG22 THR 578 HG22 THR 578 -7.388 5.611 -6.220 361 HG23 THR 578 HG23 THR 578 -7.009 6.637 -4.816 362 H VAL 579 H VAL 579 -3.924 5.777 -3.946 363 HA VAL 579 HA VAL 579 -4.383 6.932 -1.291 364 HB VAL 579 HB VAL 579 -1.746 6.129 -2.532 365 HG11 VAL 579 HG11 VAL 579 -2.020 8.411 -1.163 366 HG12 VAL 579 HG12 VAL 579 -1.883 7.292 0.214 367 HG13 VAL 579 HG13 VAL 579 -0.586 7.369 -1.003 368 HG21 VAL 579 HG21 VAL 579 -2.385 4.194 -1.514 369 HG22 VAL 579 HG22 VAL 579 -1.722 5.022 -0.084 370 HG23 VAL 579 HG23 VAL 579 -3.477 5.020 -0.376 371 H ASP 580 H ASP 580 -4.871 9.051 -1.486 372 HA ASP 580 HA ASP 580 -4.417 10.308 -3.996 373 HB2 ASP 580 HB2 ASP 580 -5.234 12.158 -1.914 374 HB3 ASP 580 HB3 ASP 580 -6.142 11.613 -3.311 375 HD2 ASP 580 HD ASP 580 -7.623 9.169 -2.290 376 H ILE 581 H ILE 581 -2.640 11.630 -4.468 377 HA ILE 581 HA ILE 581 -1.208 12.825 -2.221 378 HB ILE 581 HB ILE 581 0.936 12.159 -3.159 379 HG12 ILE 581 HG11 ILE 581 -0.577 10.340 -5.049 380 HG13 ILE 581 HG12 ILE 581 0.061 11.901 -5.524 381 HG21 ILE 581 HG21 ILE 581 0.910 9.840 -2.447 382 HG22 ILE 581 HG22 ILE 581 -0.124 10.821 -1.381 383 HG23 ILE 581 HG23 ILE 581 -0.860 9.778 -2.620 384 HD11 ILE 581 HD11 ILE 581 1.998 10.147 -4.087 385 HD12 ILE 581 HD12 ILE 581 1.479 9.566 -5.688 386 HD13 ILE 581 HD13 ILE 581 2.237 11.168 -5.525 387 H GLY 582 H GLY 582 -3.058 14.222 -3.637 388 HA2 GLY 582 HA2 GLY 582 -2.332 15.347 -6.057 389 HA3 GLY 582 HA3 GLY 582 -3.307 16.116 -4.820 390 H SER 583 H SER 583 -0.880 15.729 -2.872 391 HA SER 583 HA SER 583 0.785 17.822 -4.019 392 HB2 SER 583 HB2 SER 583 -0.844 17.898 -1.538 393 HB3 SER 583 HB3 SER 583 0.819 18.404 -1.311 394 HG SER 583 HG SER 583 -0.921 19.451 -3.377 395 H ALA 584 H ALA 584 1.330 15.025 -4.062 396 HA ALA 584 HA ALA 584 3.755 15.006 -2.502 397 HB1 ALA 584 HB1 ALA 584 2.646 12.456 -1.996 398 HB2 ALA 584 HB2 ALA 584 2.941 13.758 -0.818 399 HB3 ALA 584 HB3 ALA 584 1.357 13.624 -1.618 400 H SER 585 H SER 585 5.339 13.649 -3.435 401 HA SER 585 HA SER 585 4.468 12.503 -5.971 402 HB2 SER 585 HB2 SER 585 6.768 12.868 -6.772 403 HB3 SER 585 HB3 SER 585 6.074 14.372 -6.200 404 HG SER 585 HG SER 585 8.370 13.682 -5.492 405 H GLN 586 H GLN 586 5.244 11.706 -2.817 406 HA GLN 586 HA GLN 586 5.857 9.022 -3.616 407 HB2 GLN 586 HB2 GLN 586 7.784 10.737 -2.016 408 HB3 GLN 586 HB3 GLN 586 7.766 8.995 -1.827 409 HG2 GLN 586 HG2 GLN 586 8.074 8.769 -4.334 410 HG3 GLN 586 HG3 GLN 586 8.214 10.512 -4.441 411 HE21 GLN 586 HE12 GLN 586 10.073 8.186 -4.913 412 HE22 GLN 586 HE22 GLN 586 11.525 8.563 -4.046 413 H LEU 587 H LEU 587 5.056 7.498 -2.129 414 HA LEU 587 HA LEU 587 4.271 8.449 0.494 415 HB2 LEU 587 HB2 LEU 587 2.377 9.006 -0.975 416 HB3 LEU 587 HB3 LEU 587 2.265 7.328 -1.467 417 HG LEU 587 HG LEU 587 2.149 7.763 1.454 418 HD11 LEU 587 HD11 LEU 587 0.825 9.602 1.208 419 HD12 LEU 587 HD12 LEU 587 0.250 9.119 -0.406 420 HD13 LEU 587 HD13 LEU 587 -0.412 8.332 1.047 421 HD21 LEU 587 HD21 LEU 587 0.002 6.277 0.861 422 HD22 LEU 587 HD22 LEU 587 0.964 5.978 -0.607 423 HD23 LEU 587 HD23 LEU 587 1.643 5.602 0.995 424 H GLU 588 H GLU 588 4.750 6.916 1.984 425 HA GLU 588 HA GLU 588 5.526 4.345 0.938 426 HB2 GLU 588 HB2 GLU 588 6.323 4.033 3.380 427 HB3 GLU 588 HB3 GLU 588 7.160 5.226 2.407 428 HG2 GLU 588 HG2 GLU 588 4.775 6.259 3.875 429 HG3 GLU 588 HG3 GLU 588 6.092 5.723 4.899 430 HE2 GLU 588 HE GLU 588 8.461 7.679 3.587 431 H ALA 589 H ALA 589 4.628 2.334 1.654 432 HA ALA 589 HA ALA 589 2.213 2.573 3.297 433 HB1 ALA 589 HB1 ALA 589 1.699 2.534 0.806 434 HB2 ALA 589 HB2 ALA 589 2.399 0.898 0.767 435 HB3 ALA 589 HB3 ALA 589 0.957 1.225 1.757 436 H ALA 590 H ALA 590 2.009 0.961 4.824 437 HA ALA 590 HA ALA 590 3.997 -1.199 4.650 438 HB1 ALA 590 HB1 ALA 590 2.935 0.254 7.107 439 HB2 ALA 590 HB2 ALA 590 4.080 -1.110 7.121 440 HB3 ALA 590 HB3 ALA 590 4.556 0.446 6.398 441 H PHE 591 H PHE 591 3.295 -3.199 5.918 442 HA PHE 591 HA PHE 591 0.379 -3.482 5.713 443 HB2 PHE 591 HB2 PHE 591 2.760 -5.240 4.933 444 HB3 PHE 591 HB3 PHE 591 1.208 -5.986 5.258 445 HD1 PHE 591 HD2 PHE 591 2.837 -3.420 3.120 446 HD2 PHE 591 HD1 PHE 591 -0.419 -6.101 3.584 447 HE1 PHE 591 HE2 PHE 591 2.121 -2.958 0.759 448 HE2 PHE 591 HE1 PHE 591 -1.136 -5.639 1.223 449 HZ PHE 591 HZ PHE 591 0.143 -4.073 -0.161 450 H ASN 592 H ASN 592 -0.639 -4.155 7.550 451 HA ASN 592 HA ASN 592 0.954 -5.643 9.457 452 HB2 ASN 592 HB2 ASN 592 0.144 -4.251 11.336 453 HB3 ASN 592 HB3 ASN 592 0.991 -3.239 10.183 454 HD21 ASN 592 HD21 ASN 592 -0.146 -1.855 8.820 455 HD22 ASN 592 HD22 ASN 592 -1.772 -1.351 9.137 456 H ASP 593 H ASP 593 -0.314 -7.263 10.499 457 HA ASP 593 HA ASP 593 -2.631 -8.061 9.339 458 HB2 ASP 593 HB2 ASP 593 -2.857 -9.603 11.196 459 HB3 ASP 593 HB3 ASP 593 -1.145 -9.403 10.880 460 HD2 ASP 593 HD ASP 593 -0.085 -7.847 12.362 461 H GLY 594 H GLY 594 -2.059 -6.025 12.278 462 HA2 GLY 594 HA2 GLY 594 -4.300 -4.437 12.030 463 HA3 GLY 594 HA3 GLY 594 -4.802 -5.799 13.011 464 H ASN 595 H ASN 595 -1.514 -4.310 12.861 465 HA ASN 595 HA ASN 595 -0.443 -3.041 14.300 466 HB2 ASN 595 HB2 ASN 595 -2.902 -2.228 14.996 467 HB3 ASN 595 HB3 ASN 595 -2.609 -3.207 16.420 468 HD21 ASN 595 HD21 ASN 595 -2.999 -0.510 16.598 469 HD22 ASN 595 HD22 ASN 595 -1.548 0.297 17.090 470 H ASN 596 H ASN 596 0.923 -4.987 14.512 471 HA ASN 596 HA ASN 596 1.547 -5.776 16.954 472 HB2 ASN 596 HB2 ASN 596 -0.958 -7.075 16.192 473 HB3 ASN 596 HB3 ASN 596 0.288 -8.292 16.386 474 HD21 ASN 596 HD21 ASN 596 -0.812 -9.075 18.206 475 HD22 ASN 596 HD22 ASN 596 -0.711 -8.303 19.753 476 H ASN 597 H ASN 597 0.942 -6.623 13.563 477 HA ASN 597 HA ASN 597 3.531 -7.930 13.520 478 HB2 ASN 597 HB2 ASN 597 1.231 -9.426 13.354 479 HB3 ASN 597 HB3 ASN 597 1.433 -9.016 11.662 480 HD21 ASN 597 HD21 ASN 597 2.265 -11.112 14.107 481 HD22 ASN 597 HD22 ASN 597 3.636 -11.900 13.402 482 H TRP 598 H TRP 598 4.399 -6.002 12.504 483 HA TRP 598 HA TRP 598 3.085 -5.122 10.049 484 HB2 TRP 598 HB2 TRP 598 5.348 -3.889 11.632 485 HB3 TRP 598 HB3 TRP 598 4.612 -3.206 10.196 486 HD1 TRP 598 HD TRP 598 3.277 -4.372 13.695 487 HE1 TRP 598 HE1 TRP 598 1.449 -2.689 14.584 488 HE3 TRP 598 HE3 TRP 598 3.348 -1.324 9.625 489 HZ2 TRP 598 HZ2 TRP 598 0.264 -0.326 13.510 490 HZ3 TRP 598 HZ3 TRP 598 1.824 0.649 9.625 491 HH2 TRP 598 HH TRP 598 0.319 1.169 11.479 492 H ASP 599 H ASP 599 4.155 -5.233 8.022 493 HA ASP 599 HA ASP 599 6.575 -6.860 8.093 494 HB2 ASP 599 HB2 ASP 599 4.235 -7.654 7.010 495 HB3 ASP 599 HB3 ASP 599 4.813 -6.716 5.648 496 HD2 ASP 599 HD ASP 599 5.109 -9.847 5.108 497 H SER 600 H SER 600 6.783 -4.064 8.340 498 HA SER 600 HA SER 600 7.076 -2.989 5.691 499 HB2 SER 600 HB2 SER 600 7.618 -0.872 6.877 500 HB3 SER 600 HB3 SER 600 6.100 -1.557 7.424 501 HG SER 600 HG SER 600 7.907 -2.641 9.035 502 H ASN 601 H ASN 601 8.779 -5.236 6.289 503 HA ASN 601 HA ASN 601 10.841 -5.875 6.092 504 HB2 ASN 601 HB2 ASN 601 10.868 -3.987 4.317 505 HB3 ASN 601 HB3 ASN 601 11.646 -2.979 5.521 506 HD21 ASN 601 HD21 ASN 601 13.370 -2.877 3.962 507 HD22 ASN 601 HD22 ASN 601 14.579 -4.117 3.902 508 H ASN 602 H ASN 602 9.729 -4.638 8.657 509 HA ASN 602 HA ASN 602 10.525 -4.593 10.711 510 HB2 ASN 602 HB2 ASN 602 12.802 -5.515 9.478 511 HB3 ASN 602 HB3 ASN 602 13.378 -3.950 10.017 512 HD21 ASN 602 HD21 ASN 602 13.937 -6.765 10.848 513 HD22 ASN 602 HD22 ASN 602 13.724 -6.811 12.566 514 H THR 603 H THR 603 12.365 -2.446 8.414 515 HA THR 603 HA THR 603 11.168 -0.097 9.500 516 HB THR 603 HB THR 603 13.997 -0.909 10.274 517 HG1 THR 603 HG1 THR 603 11.716 0.469 11.508 518 HG21 THR 603 HG21 THR 603 12.811 1.917 10.220 519 HG22 THR 603 HG22 THR 603 14.322 1.454 11.040 520 HG23 THR 603 HG23 THR 603 14.209 1.366 9.266 521 H LYS 604 H LYS 604 11.668 1.812 8.262 522 HA LYS 604 HA LYS 604 12.230 2.921 6.429 523 HB2 LYS 604 HB2 LYS 604 14.352 0.917 6.584 524 HB3 LYS 604 HB3 LYS 604 14.006 1.383 4.931 525 HG2 LYS 604 HG2 LYS 604 14.064 3.684 6.799 526 HG3 LYS 604 HG3 LYS 604 15.587 2.822 6.723 527 HD2 LYS 604 HD2 LYS 604 15.323 2.941 4.129 528 HD3 LYS 604 HD3 LYS 604 14.067 4.126 4.431 529 HE2 LYS 604 HE2 LYS 604 15.924 5.256 5.984 530 HE3 LYS 604 HE3 LYS 604 17.033 4.322 5.000 531 HZ2 LYS 604 HZ2 LYS 604 16.208 5.403 3.035 532 HZ3 LYS 604 HZ3 LYS 604 14.983 6.123 3.831 533 H ASN 605 H ASN 605 9.888 2.315 6.072 534 HA ASN 605 HA ASN 605 9.121 0.164 4.597 535 HB2 ASN 605 HB2 ASN 605 7.898 2.938 4.234 536 HB3 ASN 605 HB3 ASN 605 7.074 1.392 4.167 537 HD21 ASN 605 HD21 ASN 605 8.659 3.741 6.228 538 HD22 ASN 605 HD22 ASN 605 7.971 3.245 7.738 539 H TYR 606 H TYR 606 7.751 1.291 2.283 540 HA TYR 606 HA TYR 606 10.070 1.872 0.572 541 HB2 TYR 606 HB2 TYR 606 7.295 0.599 0.157 542 HB3 TYR 606 HB3 TYR 606 8.387 0.926 -1.175 543 HD1 TYR 606 HD1 TYR 606 10.948 -0.004 -0.522 544 HD2 TYR 606 HD2 TYR 606 7.202 -1.633 0.750 545 HE1 TYR 606 HE1 TYR 606 12.044 -2.271 -0.173 546 HE2 TYR 606 HE2 TYR 606 8.310 -3.894 1.095 547 HH TYR 606 HH TYR 606 10.352 -4.867 1.403 548 H LEU 607 H LEU 607 9.562 3.224 -1.404 549 HA LEU 607 HA LEU 607 7.545 5.246 -0.713 550 HB2 LEU 607 HB2 LEU 607 9.199 6.726 -2.113 551 HB3 LEU 607 HB3 LEU 607 9.404 6.478 -0.390 552 HG LEU 607 HG LEU 607 11.526 6.341 -1.608 553 HD11 LEU 607 HD11 LEU 607 12.284 4.910 -0.085 554 HD12 LEU 607 HD12 LEU 607 10.587 4.586 0.343 555 HD13 LEU 607 HD13 LEU 607 11.422 3.544 -0.834 556 HD21 LEU 607 HD21 LEU 607 12.012 4.860 -3.311 557 HD22 LEU 607 HD22 LEU 607 10.687 3.754 -2.878 558 HD23 LEU 607 HD23 LEU 607 10.328 5.303 -3.679 559 H PHE 608 H PHE 608 5.909 5.388 -2.146 560 HA PHE 608 HA PHE 608 6.501 4.561 -4.898 561 HB2 PHE 608 HB2 PHE 608 3.864 4.206 -3.367 562 HB3 PHE 608 HB3 PHE 608 4.292 3.463 -4.896 563 HD1 PHE 608 HD2 PHE 608 6.835 2.241 -4.507 564 HD2 PHE 608 HD1 PHE 608 3.644 2.603 -1.733 565 HE1 PHE 608 HE2 PHE 608 7.664 0.210 -3.288 566 HE2 PHE 608 HE1 PHE 608 4.473 0.572 -0.514 567 HZ PHE 608 HZ PHE 608 6.474 -0.601 -1.306 568 H SER 609 H SER 609 5.498 5.769 -6.556 569 HA SER 609 HA SER 609 4.196 8.181 -5.563 570 HB2 SER 609 HB2 SER 609 6.421 8.435 -6.768 571 HB3 SER 609 HB3 SER 609 5.654 7.808 -8.214 572 HG SER 609 HG SER 609 5.735 10.328 -7.517 573 H THR 610 H THR 610 2.675 9.185 -7.375 574 HA THR 610 HA THR 610 0.502 7.612 -7.733 575 HB THR 610 HB THR 610 -0.082 9.290 -9.532 576 HG1 THR 610 HG1 THR 610 1.686 10.176 -10.527 577 HG21 THR 610 HG21 THR 610 1.532 10.758 -7.410 578 HG22 THR 610 HG22 THR 610 -0.006 11.243 -8.164 579 HG23 THR 610 HG23 THR 610 0.024 9.920 -6.973 580 H GLY 611 H GLY 611 -0.508 6.778 -9.800 581 HA2 GLY 611 HA2 GLY 611 -0.087 5.868 -11.982 582 HA3 GLY 611 HA3 GLY 611 1.537 5.452 -11.472 583 H THR 612 H THR 612 1.381 3.205 -11.853 584 HA THR 612 HA THR 612 -0.496 1.811 -10.058 585 HB THR 612 HB THR 612 0.473 0.887 -12.810 586 HG1 THR 612 HG1 THR 612 -1.928 2.237 -11.795 587 HG21 THR 612 HG21 THR 612 -1.704 -0.004 -10.859 588 HG22 THR 612 HG22 THR 612 -1.745 -0.432 -12.586 589 HG23 THR 612 HG23 THR 612 -0.402 -0.995 -11.561 590 H SER 613 H SER 613 0.313 0.278 -8.716 591 HA SER 613 HA SER 613 3.014 -0.609 -9.243 592 HB2 SER 613 HB2 SER 613 2.180 0.443 -6.507 593 HB3 SER 613 HB3 SER 613 3.772 -0.120 -6.974 594 HG SER 613 HG SER 613 4.221 1.794 -7.831 595 H THR 614 H THR 614 3.574 -2.583 -7.917 596 HA THR 614 HA THR 614 1.200 -3.915 -6.819 597 HB THR 614 HB THR 614 3.201 -5.286 -8.671 598 HG1 THR 614 HG1 THR 614 0.670 -3.869 -9.100 599 HG21 THR 614 HG21 THR 614 0.391 -5.868 -7.632 600 HG22 THR 614 HG22 THR 614 1.019 -6.645 -9.106 601 HG23 THR 614 HG23 THR 614 1.829 -6.913 -7.544 602 H TYR 615 H TYR 615 1.576 -4.363 -4.749 603 HA TYR 615 HA TYR 615 4.356 -4.726 -3.930 604 HB2 TYR 615 HB2 TYR 615 2.806 -3.092 -2.773 605 HB3 TYR 615 HB3 TYR 615 1.649 -4.378 -2.496 606 HD1 TYR 615 HD2 TYR 615 5.057 -3.186 -1.593 607 HD2 TYR 615 HD1 TYR 615 1.816 -5.795 -0.593 608 HE1 TYR 615 HE2 TYR 615 6.148 -3.696 0.646 609 HE2 TYR 615 HE1 TYR 615 2.919 -6.295 1.642 610 HH TYR 615 HH TYR 615 4.682 -6.036 2.875 611 H THR 616 H THR 616 5.132 -6.774 -3.885 612 HA THR 616 HA THR 616 3.249 -8.885 -3.058 613 HB THR 616 HB THR 616 5.568 -9.053 -5.053 614 HG1 THR 616 HG1 THR 616 3.929 -8.629 -6.512 615 HG21 THR 616 HG21 THR 616 3.255 -10.998 -4.766 616 HG22 THR 616 HG22 THR 616 4.858 -11.270 -5.492 617 HG23 THR 616 HG23 THR 616 4.685 -11.182 -3.723 618 HA PRO 617 HA PRO 617 6.302 -8.980 0.110 619 HB2 PRO 617 HB2 PRO 617 4.679 -10.011 2.052 620 HB3 PRO 617 HB3 PRO 617 4.865 -8.291 1.772 621 HG2 PRO 617 HG2 PRO 617 2.598 -10.051 1.063 622 HG3 PRO 617 HG3 PRO 617 2.635 -8.303 1.182 623 HD2 PRO 617 HD2 PRO 617 2.662 -9.859 -1.227 624 HD3 PRO 617 HD3 PRO 617 2.815 -8.118 -1.102 625 H GLY 618 H GLY 618 7.195 -10.718 1.604 626 HA2 GLY 618 HA2 GLY 618 7.193 -13.175 -0.004 627 HA3 GLY 618 HA3 GLY 618 8.403 -12.675 1.161 628 H SER 619 H SER 619 8.206 -14.828 2.150 629 HA SER 619 HA SER 619 5.879 -14.908 3.899 630 HB2 SER 619 HB2 SER 619 6.047 -16.646 1.880 631 HB3 SER 619 HB3 SER 619 7.160 -17.472 2.952 632 HG SER 619 HG SER 619 5.042 -16.814 4.467 633 H ASN 620 H ASN 620 6.299 -15.746 6.046 634 HA ASN 620 HA ASN 620 7.486 -16.376 7.773 635 HB2 ASN 620 HB2 ASN 620 8.888 -17.733 5.971 636 HB3 ASN 620 HB3 ASN 620 10.080 -16.466 6.182 637 HD21 ASN 620 HD21 ASN 620 11.388 -16.468 7.888 638 HD22 ASN 620 HD22 ASN 620 11.338 -17.588 9.209 639 H GLY 621 H GLY 621 6.990 -13.674 7.213 640 HA2 GLY 621 HA2 GLY 621 7.649 -11.567 7.638 641 HA3 GLY 621 HA3 GLY 621 8.719 -12.275 8.831 642 H ALA 622 H ALA 622 8.669 -12.435 5.197 643 HA ALA 622 HA ALA 622 11.379 -11.294 5.261 644 HB1 ALA 622 HB1 ALA 622 11.803 -12.771 3.251 645 HB2 ALA 622 HB2 ALA 622 11.572 -13.651 4.781 646 HB3 ALA 622 HB3 ALA 622 10.251 -13.572 3.590 647 H ALA 623 H ALA 623 11.083 -9.209 4.590 648 HA ALA 623 HA ALA 623 9.045 -8.137 3.222 649 HB1 ALA 623 HB1 ALA 623 11.792 -7.477 3.824 650 HB2 ALA 623 HB2 ALA 623 11.392 -6.912 2.184 651 HB3 ALA 623 HB3 ALA 623 10.408 -6.387 3.571 652 H GLY 624 H GLY 624 8.494 -7.714 1.016 653 HA2 GLY 624 HA2 GLY 624 9.598 -9.727 -0.835 654 HA3 GLY 624 HA3 GLY 624 8.006 -8.998 -0.920 655 H THR 625 H THR 625 7.966 -7.878 -2.840 656 HA THR 625 HA THR 625 9.752 -5.616 -3.070 657 HB THR 625 HB THR 625 10.363 -6.401 -5.460 658 HG1 THR 625 HG1 THR 625 9.434 -8.851 -4.132 659 HG21 THR 625 HG21 THR 625 12.183 -7.862 -4.741 660 HG22 THR 625 HG22 THR 625 11.966 -6.634 -3.471 661 HG23 THR 625 HG23 THR 625 11.321 -8.276 -3.240 662 H ILE 626 H ILE 626 9.100 -4.159 -4.878 663 HA ILE 626 HA ILE 626 6.230 -4.511 -5.405 664 HB ILE 626 HB ILE 626 7.297 -1.775 -5.406 665 HG12 ILE 626 HG11 ILE 626 6.986 -1.853 -2.776 666 HG13 ILE 626 HG12 ILE 626 7.502 -3.516 -2.975 667 HG21 ILE 626 HG21 ILE 626 4.869 -2.636 -5.627 668 HG22 ILE 626 HG22 ILE 626 4.941 -2.830 -3.859 669 HG23 ILE 626 HG23 ILE 626 5.191 -1.226 -4.589 670 HD11 ILE 626 HD11 ILE 626 9.144 -1.191 -2.917 671 HD12 ILE 626 HD12 ILE 626 9.653 -2.866 -3.237 672 HD13 ILE 626 HD13 ILE 626 9.201 -1.800 -4.589 673 H ARG 627 H ARG 627 5.530 -4.283 -7.509 674 HA ARG 627 HA ARG 627 7.637 -3.593 -9.398 675 HB2 ARG 627 HB2 ARG 627 6.673 -6.075 -9.247 676 HB3 ARG 627 HB3 ARG 627 5.320 -5.408 -10.139 677 HG2 ARG 627 HG2 ARG 627 7.922 -4.583 -11.269 678 HG3 ARG 627 HG3 ARG 627 7.733 -6.325 -11.239 679 HD2 ARG 627 HD1 ARG 627 5.293 -5.737 -12.208 680 HD3 ARG 627 HD2 ARG 627 6.093 -4.263 -12.716 681 HE ARG 627 HE ARG 627 6.628 -6.988 -13.716 682 HH11 ARG 627 HH22 ARG 627 7.738 -3.626 -13.583 683 HH12 ARG 627 HH21 ARG 627 8.751 -3.775 -14.980 684 HH22 ARG 627 HH1 ARG 627 8.868 -5.876 -16.126 685 H THR 628 H THR 628 7.161 -1.811 -10.657 686 HA THR 628 HA THR 628 4.568 -0.605 -10.423 687 HB THR 628 HB THR 628 6.320 0.574 -12.431 688 HG1 THR 628 HG1 THR 628 8.115 0.778 -10.766 689 HG21 THR 628 HG21 THR 628 5.295 2.272 -11.239 690 HG22 THR 628 HG22 THR 628 5.119 1.264 -9.782 691 HG23 THR 628 HG23 THR 628 6.672 2.062 -10.131 692 H GLY 629 H GLY 629 3.041 -0.201 -12.061 693 HA2 GLY 629 HA2 GLY 629 2.398 -0.403 -14.357 694 HA3 GLY 629 HA3 GLY 629 3.375 -1.852 -14.488 695 H ALA 630 H ALA 630 0.356 -1.222 -14.844 696 HA ALA 630 HA ALA 630 -1.072 -2.463 -12.801 697 HB1 ALA 630 HB1 ALA 630 -2.592 -2.914 -15.012 698 HB2 ALA 630 HB2 ALA 630 -2.489 -1.337 -14.193 699 HB3 ALA 630 HB3 ALA 630 -1.496 -1.658 -15.635 700 HA PRO 631 HA PRO 631 0.281 -6.558 -13.541 701 HB2 PRO 631 HB2 PRO 631 -0.926 -7.710 -11.377 702 HB3 PRO 631 HB3 PRO 631 0.648 -6.945 -11.301 703 HG2 PRO 631 HG2 PRO 631 -1.950 -5.939 -10.313 704 HG3 PRO 631 HG3 PRO 631 -0.334 -5.413 -9.884 705 HD2 PRO 631 HD2 PRO 631 -2.168 -4.071 -11.635 706 HD3 PRO 631 HD3 PRO 631 -0.512 -3.608 -11.297 707 H SER 632 H SER 632 -0.713 -8.837 -13.683 708 HA SER 632 HA SER 632 -3.477 -8.889 -14.100 709 HB2 SER 632 HB2 SER 632 -1.876 -8.007 -16.353 710 HB3 SER 632 HB3 SER 632 -2.584 -9.563 -16.733 711 HG SER 632 HG SER 632 -3.803 -7.073 -16.484 712 H GLY 633 H GLY 633 -2.922 -10.678 -12.602 713 HA2 GLY 633 HA2 GLY 633 -2.683 -12.877 -12.187 714 HA3 GLY 633 HA3 GLY 633 -2.732 -13.171 -13.914 Start of MODEL 7 1 H1 GLY 530 H GLY 530 -7.318 22.348 -4.371 2 HA2 GLY 530 HA2 GLY 530 -5.281 23.035 -3.354 3 HA3 GLY 530 HA3 GLY 530 -5.502 21.337 -2.981 4 H GLY 531 H GLY 531 -4.448 23.053 -6.010 5 HA2 GLY 531 HA2 GLY 531 -2.616 22.817 -7.288 6 HA3 GLY 531 HA3 GLY 531 -1.731 22.459 -5.818 7 H THR 532 H THR 532 -3.257 21.144 -8.694 8 HA THR 532 HA THR 532 -3.261 19.120 -9.616 9 HB THR 532 HB THR 532 -0.858 18.800 -7.743 10 HG1 THR 532 HG1 THR 532 -1.365 19.488 -10.553 11 HG21 THR 532 HG21 THR 532 -1.494 16.561 -8.549 12 HG22 THR 532 HG22 THR 532 -1.754 17.194 -10.193 13 HG23 THR 532 HG23 THR 532 -0.110 17.135 -9.511 14 H THR 533 H THR 533 -3.405 16.638 -9.143 15 HA THR 533 HA THR 533 -4.190 15.829 -6.565 16 HB THR 533 HB THR 533 -6.224 17.150 -8.283 17 HG1 THR 533 HG1 THR 533 -5.879 16.144 -5.549 18 HG21 THR 533 HG21 THR 533 -7.949 15.477 -7.143 19 HG22 THR 533 HG22 THR 533 -7.239 15.053 -8.720 20 HG23 THR 533 HG23 THR 533 -6.593 14.327 -7.228 21 H ASN 534 H ASN 534 -2.699 14.187 -7.151 22 HA ASN 534 HA ASN 534 -3.572 12.523 -9.352 23 HB2 ASN 534 HB2 ASN 534 -1.015 13.257 -8.257 24 HB3 ASN 534 HB3 ASN 534 -1.195 11.536 -7.980 25 HD21 ASN 534 HD21 ASN 534 0.516 13.115 -9.814 26 HD22 ASN 534 HD22 ASN 534 0.252 12.482 -11.404 27 H LYS 535 H LYS 535 -2.811 9.986 -8.647 28 HA LYS 535 HA LYS 535 -3.724 9.451 -5.944 29 HB2 LYS 535 HB2 LYS 535 -5.102 8.223 -8.351 30 HB3 LYS 535 HB3 LYS 535 -5.429 7.866 -6.667 31 HG2 LYS 535 HG2 LYS 535 -5.933 10.389 -6.373 32 HG3 LYS 535 HG3 LYS 535 -5.896 10.504 -8.122 33 HD2 LYS 535 HD2 LYS 535 -7.559 8.248 -7.209 34 HD3 LYS 535 HD3 LYS 535 -8.110 9.772 -6.543 35 HE2 LYS 535 HE2 LYS 535 -7.456 9.537 -9.502 36 HE3 LYS 535 HE3 LYS 535 -9.013 9.011 -8.895 37 HZ2 LYS 535 HZ2 LYS 535 -9.368 11.246 -9.389 38 HZ3 LYS 535 HZ3 LYS 535 -9.044 11.349 -7.797 39 H VAL 536 H VAL 536 -3.126 7.296 -5.209 40 HA VAL 536 HA VAL 536 -1.077 6.095 -6.941 41 HB VAL 536 HB VAL 536 0.127 5.512 -4.894 42 HG11 VAL 536 HG11 VAL 536 -0.463 8.390 -5.534 43 HG12 VAL 536 HG12 VAL 536 0.623 7.987 -4.182 44 HG13 VAL 536 HG13 VAL 536 1.011 7.438 -5.830 45 HG21 VAL 536 HG21 VAL 536 -2.294 6.663 -3.615 46 HG22 VAL 536 HG22 VAL 536 -1.208 5.364 -3.065 47 HG23 VAL 536 HG23 VAL 536 -0.735 7.068 -2.857 48 H THR 537 H THR 537 -1.737 4.153 -7.689 49 HA THR 537 HA THR 537 -3.679 2.671 -6.062 50 HB THR 537 HB THR 537 -2.879 2.485 -9.015 51 HG1 THR 537 HG1 THR 537 -5.146 3.514 -7.458 52 HG21 THR 537 HG21 THR 537 -4.736 0.907 -7.247 53 HG22 THR 537 HG22 THR 537 -5.365 1.396 -8.838 54 HG23 THR 537 HG23 THR 537 -3.892 0.402 -8.730 55 H VAL 538 H VAL 538 -3.043 0.997 -4.869 56 HA VAL 538 HA VAL 538 -0.637 -0.422 -5.774 57 HB VAL 538 HB VAL 538 -1.325 0.068 -2.882 58 HG11 VAL 538 HG11 VAL 538 0.289 -1.474 -2.656 59 HG12 VAL 538 HG12 VAL 538 0.782 -1.335 -4.360 60 HG13 VAL 538 HG13 VAL 538 1.417 -0.191 -3.153 61 HG21 VAL 538 HG21 VAL 538 0.684 1.760 -3.132 62 HG22 VAL 538 HG22 VAL 538 0.114 1.855 -4.816 63 HG23 VAL 538 HG23 VAL 538 -0.985 2.270 -3.479 64 H TYR 539 H TYR 539 -0.789 -2.648 -5.769 65 HA TYR 539 HA TYR 539 -3.379 -3.704 -4.865 66 HB2 TYR 539 HB2 TYR 539 -1.399 -4.158 -7.115 67 HB3 TYR 539 HB3 TYR 539 -2.206 -5.594 -6.517 68 HD1 TYR 539 HD2 TYR 539 -3.272 -2.073 -7.312 69 HD2 TYR 539 HD1 TYR 539 -3.984 -6.259 -7.836 70 HE1 TYR 539 HE2 TYR 539 -5.289 -1.555 -8.770 71 HE2 TYR 539 HE1 TYR 539 -5.999 -5.727 -9.292 72 HH TYR 539 HH TYR 539 -6.957 -4.090 -10.505 73 H TYR 540 H TYR 540 -3.454 -5.336 -3.359 74 HA TYR 540 HA TYR 540 -0.843 -6.383 -2.488 75 HB2 TYR 540 HB2 TYR 540 -1.767 -4.995 -0.731 76 HB3 TYR 540 HB3 TYR 540 -3.414 -5.440 -1.133 77 HD1 TYR 540 HD1 TYR 540 -0.473 -7.659 -0.462 78 HD2 TYR 540 HD2 TYR 540 -4.307 -6.293 0.856 79 HE1 TYR 540 HE1 TYR 540 -0.461 -9.396 1.395 80 HE2 TYR 540 HE2 TYR 540 -4.283 -8.035 2.709 81 HH TYR 540 HH TYR 540 -1.783 -9.398 3.865 82 H LYS 541 H LYS 541 -0.637 -8.599 -2.175 83 HA LYS 541 HA LYS 541 -2.853 -10.166 -3.228 84 HB2 LYS 541 HB2 LYS 541 -0.550 -10.390 -4.172 85 HB3 LYS 541 HB3 LYS 541 0.001 -10.995 -2.623 86 HG2 LYS 541 HG2 LYS 541 -2.315 -12.522 -3.203 87 HG3 LYS 541 HG3 LYS 541 -1.478 -12.391 -4.737 88 HD2 LYS 541 HD2 LYS 541 0.644 -12.936 -3.080 89 HD3 LYS 541 HD3 LYS 541 -0.634 -13.777 -2.225 90 HE2 LYS 541 HE2 LYS 541 -0.837 -15.388 -3.848 91 HE3 LYS 541 HE3 LYS 541 -0.702 -14.229 -5.156 92 HZ2 LYS 541 HZ2 LYS 541 1.221 -15.789 -4.973 93 HZ3 LYS 541 HZ3 LYS 541 1.679 -14.227 -4.909 94 H LYS 542 H LYS 542 -4.325 -10.947 -1.826 95 HA LYS 542 HA LYS 542 -3.500 -11.296 0.945 96 HB2 LYS 542 HB2 LYS 542 -5.452 -10.142 1.054 97 HB3 LYS 542 HB3 LYS 542 -6.044 -10.754 -0.477 98 HG2 LYS 542 HG2 LYS 542 -6.903 -12.724 0.475 99 HG3 LYS 542 HG3 LYS 542 -5.776 -12.699 1.816 100 HD2 LYS 542 HD2 LYS 542 -8.203 -12.104 2.393 101 HD3 LYS 542 HD3 LYS 542 -6.989 -10.974 2.959 102 HE2 LYS 542 HE2 LYS 542 -7.517 -9.362 1.287 103 HE3 LYS 542 HE3 LYS 542 -8.299 -10.544 0.256 104 HZ2 LYS 542 HZ2 LYS 542 -9.945 -9.192 1.408 105 HZ3 LYS 542 HZ3 LYS 542 -10.077 -10.727 1.935 106 H GLY 543 H GLY 543 -3.737 -14.748 1.280 107 HA2 GLY 543 HA2 GLY 543 -2.421 -12.854 2.469 108 HA3 GLY 543 HA3 GLY 543 -3.951 -12.011 2.324 109 H PHE 544 H PHE 544 -4.901 -12.000 4.323 110 HA PHE 544 HA PHE 544 -4.966 -14.573 5.738 111 HB2 PHE 544 HB2 PHE 544 -5.222 -11.728 6.867 112 HB3 PHE 544 HB3 PHE 544 -4.950 -13.192 7.791 113 HD1 PHE 544 HD2 PHE 544 -3.347 -11.153 5.109 114 HD2 PHE 544 HD1 PHE 544 -2.793 -13.714 8.447 115 HE1 PHE 544 HE2 PHE 544 -0.870 -10.763 4.997 116 HE2 PHE 544 HE1 PHE 544 -0.316 -13.324 8.335 117 HZ PHE 544 HZ PHE 544 0.616 -11.853 6.611 118 H ASN 545 H ASN 545 -6.797 -12.833 7.666 119 HA ASN 545 HA ASN 545 -9.193 -13.474 6.158 120 HB2 ASN 545 HB2 ASN 545 -10.267 -13.199 8.520 121 HB3 ASN 545 HB3 ASN 545 -9.237 -14.595 8.272 122 HD21 ASN 545 HD21 ASN 545 -6.963 -14.406 8.881 123 HD22 ASN 545 HD22 ASN 545 -6.522 -13.463 10.265 124 H SER 546 H SER 546 -7.692 -10.997 8.360 125 HA SER 546 HA SER 546 -9.210 -8.983 6.933 126 HB2 SER 546 HB2 SER 546 -9.022 -9.139 9.975 127 HB3 SER 546 HB3 SER 546 -9.746 -7.821 9.076 128 HG SER 546 HG SER 546 -11.469 -9.122 9.599 129 HA PRO 547 HA PRO 547 -4.804 -7.977 7.575 130 HB2 PRO 547 HB2 PRO 547 -4.083 -7.700 4.953 131 HB3 PRO 547 HB3 PRO 547 -3.864 -9.186 5.856 132 HG2 PRO 547 HG2 PRO 547 -5.887 -8.550 3.797 133 HG3 PRO 547 HG3 PRO 547 -5.382 -10.119 4.391 134 HD2 PRO 547 HD2 PRO 547 -7.796 -8.724 5.064 135 HD3 PRO 547 HD3 PRO 547 -7.235 -10.238 5.746 136 H TYR 548 H TYR 548 -3.895 -5.974 7.832 137 HA TYR 548 HA TYR 548 -5.456 -3.851 6.522 138 HB2 TYR 548 HB2 TYR 548 -4.747 -4.521 9.346 139 HB3 TYR 548 HB3 TYR 548 -4.292 -2.881 8.928 140 HD1 TYR 548 HD1 TYR 548 -6.030 -1.231 8.246 141 HD2 TYR 548 HD2 TYR 548 -7.061 -5.154 9.606 142 HE1 TYR 548 HE1 TYR 548 -8.426 -0.473 8.637 143 HE2 TYR 548 HE2 TYR 548 -9.453 -4.383 9.993 144 HH TYR 548 HH TYR 548 -10.311 -1.120 10.026 145 H ILE 549 H ILE 549 -4.287 -1.917 5.965 146 HA ILE 549 HA ILE 549 -1.373 -2.250 6.068 147 HB ILE 549 HB ILE 549 -3.017 -1.287 3.724 148 HG12 ILE 549 HG11 ILE 549 -1.684 -3.894 4.372 149 HG13 ILE 549 HG12 ILE 549 -3.255 -3.590 3.658 150 HG21 ILE 549 HG21 ILE 549 -1.136 -0.595 2.675 151 HG22 ILE 549 HG22 ILE 549 -0.584 -0.338 4.348 152 HG23 ILE 549 HG23 ILE 549 -0.105 -1.810 3.470 153 HD11 ILE 549 HD11 ILE 549 -0.526 -3.464 2.352 154 HD12 ILE 549 HD12 ILE 549 -1.993 -4.314 1.807 155 HD13 ILE 549 HD13 ILE 549 -1.885 -2.543 1.664 156 H HIS 550 H HIS 550 -0.162 -0.335 6.382 157 HA HIS 550 HA HIS 550 -1.811 2.012 6.969 158 HB2 HIS 550 HB2 HIS 550 -1.015 0.760 9.014 159 HB3 HIS 550 HB3 HIS 550 0.628 1.151 8.543 160 HD1 HIS 550 HD1 HIS 550 -1.671 3.916 7.773 161 HD2 HIS 550 HE2 HIS 550 0.554 2.632 11.089 162 HE1 HIS 550 HE1 HIS 550 -1.555 5.904 9.369 163 H TYR 551 H TYR 551 -1.331 3.618 5.565 164 HA TYR 551 HA TYR 551 1.475 3.831 4.708 165 HB2 TYR 551 HB2 TYR 551 -0.253 4.969 2.751 166 HB3 TYR 551 HB3 TYR 551 0.571 3.430 2.602 167 HD1 TYR 551 HD2 TYR 551 -2.574 4.962 3.924 168 HD2 TYR 551 HD1 TYR 551 -0.661 1.437 2.435 169 HE1 TYR 551 HE2 TYR 551 -4.814 3.760 3.872 170 HE2 TYR 551 HE1 TYR 551 -2.907 0.246 2.388 171 HH TYR 551 HH TYR 551 -5.020 0.379 2.786 172 H ARG 552 H ARG 552 2.133 6.046 4.062 173 HA ARG 552 HA ARG 552 0.394 8.064 5.207 174 HB2 ARG 552 HB2 ARG 552 1.902 7.963 6.992 175 HB3 ARG 552 HB3 ARG 552 3.219 7.387 5.990 176 HG2 ARG 552 HG2 ARG 552 2.248 10.147 5.364 177 HG3 ARG 552 HG3 ARG 552 3.020 9.960 6.926 178 HD2 ARG 552 HD2 ARG 552 4.305 8.888 4.379 179 HD3 ARG 552 HD3 ARG 552 4.544 10.545 4.897 180 HE ARG 552 HE ARG 552 5.078 8.483 6.949 181 HH11 ARG 552 HH22 ARG 552 6.437 10.620 4.471 182 HH12 ARG 552 HH21 ARG 552 8.046 10.541 5.108 183 HH22 ARG 552 HH1 ARG 552 8.471 9.216 7.060 184 HA PRO 553 HA PRO 553 1.550 9.993 1.450 185 HB2 PRO 553 HB2 PRO 553 0.305 12.400 1.800 186 HB3 PRO 553 HB3 PRO 553 -0.524 10.966 1.226 187 HG2 PRO 553 HG2 PRO 553 -0.637 12.229 3.897 188 HG3 PRO 553 HG3 PRO 553 -1.749 11.081 3.177 189 HD2 PRO 553 HD2 PRO 553 0.241 10.526 5.166 190 HD3 PRO 553 HD3 PRO 553 -0.791 9.360 4.363 191 H ALA 554 H ALA 554 2.899 11.606 0.473 192 HA ALA 554 HA ALA 554 5.223 12.018 1.735 193 HB1 ALA 554 HB1 ALA 554 5.668 13.090 -0.192 194 HB2 ALA 554 HB2 ALA 554 3.947 12.912 -0.612 195 HB3 ALA 554 HB3 ALA 554 4.517 14.390 0.201 196 H GLY 555 H GLY 555 2.162 13.725 2.296 197 HA2 GLY 555 HA2 GLY 555 3.002 16.032 3.540 198 HA3 GLY 555 HA3 GLY 555 1.541 15.145 3.926 199 H GLY 556 H GLY 556 3.307 12.677 4.608 200 HA2 GLY 556 HA2 GLY 556 4.625 11.933 6.330 201 HA3 GLY 556 HA3 GLY 556 4.750 13.561 6.966 202 H SER 557 H SER 557 1.592 12.177 6.069 203 HA SER 557 HA SER 557 0.905 12.286 8.885 204 HB2 SER 557 HB2 SER 557 -1.312 11.800 7.018 205 HB3 SER 557 HB3 SER 557 -1.133 13.052 8.232 206 HG SER 557 HG SER 557 -0.023 13.052 5.557 207 H TRP 558 H TRP 558 0.018 10.470 9.979 208 HA TRP 558 HA TRP 558 0.020 7.980 8.414 209 HB2 TRP 558 HB2 TRP 558 1.128 8.542 11.156 210 HB3 TRP 558 HB3 TRP 558 0.671 6.925 10.660 211 HD1 TRP 558 HD TRP 558 3.458 9.464 10.232 212 HE1 TRP 558 HE1 TRP 558 5.459 8.513 8.799 213 HE3 TRP 558 HE3 TRP 558 1.031 5.282 8.659 214 HZ2 TRP 558 HZ2 TRP 558 5.795 6.170 7.204 215 HZ3 TRP 558 HZ3 TRP 558 2.268 3.715 7.166 216 HH2 TRP 558 HH TRP 558 4.569 4.104 6.439 217 H THR 559 H THR 559 -2.208 7.838 8.055 218 HA THR 559 HA THR 559 -4.225 8.709 9.668 219 HB THR 559 HB THR 559 -3.899 6.429 7.686 220 HG1 THR 559 HG1 THR 559 -5.089 8.007 6.487 221 HG21 THR 559 HG21 THR 559 -6.509 7.307 9.030 222 HG22 THR 559 HG22 THR 559 -6.353 6.137 7.697 223 HG23 THR 559 HG23 THR 559 -5.715 5.739 9.311 224 H ALA 560 H ALA 560 -5.876 7.263 10.867 225 HA ALA 560 HA ALA 560 -4.688 6.422 13.213 226 HB1 ALA 560 HB1 ALA 560 -7.381 6.136 11.912 227 HB2 ALA 560 HB2 ALA 560 -7.037 5.180 13.373 228 HB3 ALA 560 HB3 ALA 560 -6.930 6.956 13.426 229 H ALA 561 H ALA 561 -3.228 4.795 13.424 230 HA ALA 561 HA ALA 561 -3.102 2.652 11.589 231 HB1 ALA 561 HB1 ALA 561 -1.037 2.826 12.484 232 HB2 ALA 561 HB2 ALA 561 -1.647 3.676 13.924 233 HB3 ALA 561 HB3 ALA 561 -1.679 1.898 13.861 234 HA PRO 562 HA PRO 562 -2.862 0.874 11.216 235 HB2 PRO 562 HB2 PRO 562 -4.282 -0.996 9.818 236 HB3 PRO 562 HB3 PRO 562 -3.061 -1.411 11.005 237 HG2 PRO 562 HG2 PRO 562 -6.004 -1.556 11.244 238 HG3 PRO 562 HG3 PRO 562 -4.783 -2.344 12.223 239 HD2 PRO 562 HD2 PRO 562 -6.329 -0.037 12.937 240 HD3 PRO 562 HD3 PRO 562 -5.029 -0.755 13.866 241 H GLY 563 H GLY 563 -2.712 1.862 9.226 242 HA2 GLY 563 HA2 GLY 563 -4.204 3.970 8.630 243 HA3 GLY 563 HA3 GLY 563 -3.532 2.932 7.388 244 H VAL 564 H VAL 564 -4.876 1.550 6.177 245 HA VAL 564 HA VAL 564 -7.679 1.433 6.992 246 HB VAL 564 HB VAL 564 -6.949 1.985 4.136 247 HG11 VAL 564 HG11 VAL 564 -9.422 2.418 5.840 248 HG12 VAL 564 HG12 VAL 564 -9.249 3.002 4.168 249 HG13 VAL 564 HG13 VAL 564 -9.206 1.256 4.510 250 HG21 VAL 564 HG21 VAL 564 -5.892 3.764 5.539 251 HG22 VAL 564 HG22 VAL 564 -7.169 4.367 4.456 252 HG23 VAL 564 HG23 VAL 564 -7.503 4.150 6.191 253 H LYS 565 H LYS 565 -8.864 -0.341 5.866 254 HA LYS 565 HA LYS 565 -7.053 -2.580 5.516 255 HB2 LYS 565 HB2 LYS 565 -8.822 -3.004 7.029 256 HB3 LYS 565 HB3 LYS 565 -10.027 -2.311 5.963 257 HG2 LYS 565 HG2 LYS 565 -10.331 -4.293 4.900 258 HG3 LYS 565 HG3 LYS 565 -8.617 -4.440 4.564 259 HD2 LYS 565 HD2 LYS 565 -8.792 -6.262 5.961 260 HD3 LYS 565 HD3 LYS 565 -8.560 -5.053 7.208 261 HE2 LYS 565 HE2 LYS 565 -10.484 -6.147 7.988 262 HE3 LYS 565 HE3 LYS 565 -11.190 -4.800 7.116 263 HZ2 LYS 565 HZ2 LYS 565 -11.914 -6.180 5.445 264 HZ3 LYS 565 HZ3 LYS 565 -10.685 -7.240 5.581 265 H MET 566 H MET 566 -6.219 -2.915 3.527 266 HA MET 566 HA MET 566 -6.818 -1.760 1.252 267 HB2 MET 566 HB2 MET 566 -5.943 -4.581 1.935 268 HB3 MET 566 HB3 MET 566 -6.264 -4.221 0.250 269 HG2 MET 566 HG2 MET 566 -4.646 -2.109 1.516 270 HG3 MET 566 HG3 MET 566 -3.876 -3.678 1.650 271 HE1 MET 566 HE1 MET 566 -2.613 -1.360 -1.420 272 HE2 MET 566 HE2 MET 566 -2.871 -1.243 0.337 273 HE3 MET 566 HE3 MET 566 -1.820 -2.518 -0.325 274 H GLN 567 H GLN 567 -8.245 -1.953 -0.531 275 HA GLN 567 HA GLN 567 -10.625 -3.505 0.103 276 HB2 GLN 567 HB2 GLN 567 -10.141 -0.870 -1.209 277 HB3 GLN 567 HB3 GLN 567 -11.397 -1.847 -1.944 278 HG2 GLN 567 HG2 GLN 567 -11.624 -1.909 0.976 279 HG3 GLN 567 HG3 GLN 567 -11.618 -0.255 0.395 280 HE21 GLN 567 HE12 GLN 567 -13.756 0.066 0.909 281 HE22 GLN 567 HE22 GLN 567 -15.072 -0.614 0.011 282 H ASP 568 H ASP 568 -11.355 -5.111 -1.291 283 HA ASP 568 HA ASP 568 -9.681 -6.426 -2.875 284 HB2 ASP 568 HB2 ASP 568 -12.475 -6.439 -2.352 285 HB3 ASP 568 HB3 ASP 568 -12.344 -6.430 -4.099 286 HD2 ASP 568 HD ASP 568 -11.513 -9.509 -4.518 287 H ALA 569 H ALA 569 -9.333 -6.541 -5.247 288 HA ALA 569 HA ALA 569 -9.637 -3.926 -6.498 289 HB1 ALA 569 HB1 ALA 569 -8.140 -6.218 -7.735 290 HB2 ALA 569 HB2 ALA 569 -7.768 -4.477 -7.745 291 HB3 ALA 569 HB3 ALA 569 -7.460 -5.446 -6.283 292 H GLU 570 H GLU 570 -9.268 -5.502 -9.164 293 HA GLU 570 HA GLU 570 -12.047 -6.363 -9.366 294 HB2 GLU 570 HB2 GLU 570 -12.145 -5.338 -11.623 295 HB3 GLU 570 HB3 GLU 570 -11.831 -4.137 -10.386 296 HG2 GLU 570 HG2 GLU 570 -9.255 -4.928 -11.067 297 HG3 GLU 570 HG3 GLU 570 -10.085 -5.066 -12.604 298 HE2 GLU 570 HE GLU 570 -8.698 -2.779 -13.069 299 H ILE 571 H ILE 571 -9.090 -7.547 -9.163 300 HA ILE 571 HA ILE 571 -8.955 -9.025 -11.634 301 HB ILE 571 HB ILE 571 -7.289 -9.008 -9.120 302 HG12 ILE 571 HG11 ILE 571 -7.226 -7.011 -10.666 303 HG13 ILE 571 HG12 ILE 571 -5.688 -7.794 -10.359 304 HG21 ILE 571 HG21 ILE 571 -7.152 -10.774 -11.549 305 HG22 ILE 571 HG22 ILE 571 -5.675 -10.332 -10.661 306 HG23 ILE 571 HG23 ILE 571 -6.989 -11.195 -9.827 307 HD11 ILE 571 HD11 ILE 571 -6.678 -7.213 -12.869 308 HD12 ILE 571 HD12 ILE 571 -5.441 -8.449 -12.535 309 HD13 ILE 571 HD13 ILE 571 -7.152 -8.919 -12.684 310 H SER 572 H SER 572 -8.601 -10.350 -8.301 311 HA SER 572 HA SER 572 -10.924 -11.610 -7.985 312 HB2 SER 572 HB2 SER 572 -9.468 -12.830 -10.213 313 HB3 SER 572 HB3 SER 572 -9.737 -13.997 -8.934 314 HG SER 572 HG SER 572 -11.580 -14.108 -10.180 315 H GLY 573 H GLY 573 -10.316 -11.400 -5.801 316 HA2 GLY 573 HA2 GLY 573 -9.576 -12.437 -3.883 317 HA3 GLY 573 HA3 GLY 573 -8.473 -13.427 -4.817 318 H TYR 574 H TYR 574 -8.297 -10.173 -5.877 319 HA TYR 574 HA TYR 574 -5.874 -9.796 -4.261 320 HB2 TYR 574 HB2 TYR 574 -6.591 -9.658 -7.058 321 HB3 TYR 574 HB3 TYR 574 -6.339 -7.998 -6.555 322 HD1 TYR 574 HD2 TYR 574 -4.103 -7.437 -5.371 323 HD2 TYR 574 HD1 TYR 574 -4.759 -11.034 -7.593 324 HE1 TYR 574 HE2 TYR 574 -1.592 -7.752 -5.617 325 HE2 TYR 574 HE1 TYR 574 -2.246 -11.337 -7.832 326 HH TYR 574 HH TYR 574 -0.207 -9.535 -7.806 327 H ALA 575 H ALA 575 -5.330 -7.502 -3.688 328 HA ALA 575 HA ALA 575 -7.804 -6.008 -3.142 329 HB1 ALA 575 HB1 ALA 575 -5.914 -7.091 -1.357 330 HB2 ALA 575 HB2 ALA 575 -5.551 -5.349 -1.419 331 HB3 ALA 575 HB3 ALA 575 -7.185 -5.903 -0.982 332 H LYS 576 H LYS 576 -7.600 -3.639 -3.172 333 HA LYS 576 HA LYS 576 -5.201 -2.549 -4.323 334 HB2 LYS 576 HB2 LYS 576 -5.908 -2.070 -6.432 335 HB3 LYS 576 HB3 LYS 576 -6.783 -3.568 -6.192 336 HG2 LYS 576 HG2 LYS 576 -8.808 -2.307 -5.500 337 HG3 LYS 576 HG3 LYS 576 -7.939 -0.793 -5.647 338 HD2 LYS 576 HD2 LYS 576 -7.535 -2.092 -8.133 339 HD3 LYS 576 HD3 LYS 576 -9.213 -2.406 -7.738 340 HE2 LYS 576 HE2 LYS 576 -8.464 0.385 -7.159 341 HE3 LYS 576 HE3 LYS 576 -8.174 -0.029 -8.837 342 HZ2 LYS 576 HZ2 LYS 576 -10.389 0.457 -8.966 343 HZ3 LYS 576 HZ3 LYS 576 -10.586 -1.096 -8.517 344 H ILE 577 H ILE 577 -4.974 -0.377 -3.808 345 HA ILE 577 HA ILE 577 -7.332 0.930 -2.674 346 HB ILE 577 HB ILE 577 -6.225 1.596 -0.723 347 HG12 ILE 577 HG11 ILE 577 -3.651 0.285 -0.970 348 HG13 ILE 577 HG12 ILE 577 -3.876 1.442 -2.266 349 HG21 ILE 577 HG21 ILE 577 -5.310 -0.690 0.164 350 HG22 ILE 577 HG22 ILE 577 -7.029 -0.511 -0.261 351 HG23 ILE 577 HG23 ILE 577 -5.911 -1.310 -1.392 352 HD11 ILE 577 HD11 ILE 577 -4.721 3.065 -0.382 353 HD12 ILE 577 HD12 ILE 577 -3.917 1.928 0.725 354 HD13 ILE 577 HD13 ILE 577 -2.973 2.764 -0.531 355 H THR 578 H THR 578 -7.235 3.275 -2.754 356 HA THR 578 HA THR 578 -5.108 4.286 -4.515 357 HB THR 578 HB THR 578 -8.036 5.108 -4.737 358 HG1 THR 578 HG1 THR 578 -6.446 2.954 -5.934 359 HG21 THR 578 HG21 THR 578 -5.526 5.709 -6.142 360 HG22 THR 578 HG22 THR 578 -6.718 4.978 -7.244 361 HG23 THR 578 HG23 THR 578 -7.128 6.459 -6.346 362 H VAL 579 H VAL 579 -4.113 6.084 -3.820 363 HA VAL 579 HA VAL 579 -5.511 7.626 -1.750 364 HB VAL 579 HB VAL 579 -2.540 7.214 -1.716 365 HG11 VAL 579 HG11 VAL 579 -4.555 8.492 -0.045 366 HG12 VAL 579 HG12 VAL 579 -3.573 7.329 0.877 367 HG13 VAL 579 HG13 VAL 579 -2.782 8.649 -0.018 368 HG21 VAL 579 HG21 VAL 579 -2.977 4.980 -1.539 369 HG22 VAL 579 HG22 VAL 579 -3.266 5.441 0.156 370 HG23 VAL 579 HG23 VAL 579 -4.640 5.234 -0.957 371 H ASP 580 H ASP 580 -5.572 9.803 -2.119 372 HA ASP 580 HA ASP 580 -4.543 10.687 -4.603 373 HB2 ASP 580 HB2 ASP 580 -6.676 11.554 -3.801 374 HB3 ASP 580 HB3 ASP 580 -5.960 12.080 -2.291 375 HD2 ASP 580 HD ASP 580 -6.505 14.565 -2.884 376 H ILE 581 H ILE 581 -2.942 12.449 -4.866 377 HA ILE 581 HA ILE 581 -1.523 13.324 -2.513 378 HB ILE 581 HB ILE 581 0.646 12.541 -3.270 379 HG12 ILE 581 HG11 ILE 581 -0.832 10.946 -5.383 380 HG13 ILE 581 HG12 ILE 581 0.070 12.415 -5.700 381 HG21 ILE 581 HG21 ILE 581 -0.745 11.221 -1.664 382 HG22 ILE 581 HG22 ILE 581 -1.272 10.210 -3.031 383 HG23 ILE 581 HG23 ILE 581 0.447 10.260 -2.572 384 HD11 ILE 581 HD11 ILE 581 1.674 10.541 -4.122 385 HD12 ILE 581 HD12 ILE 581 1.102 9.794 -5.633 386 HD13 ILE 581 HD13 ILE 581 2.046 11.303 -5.687 387 H GLY 582 H GLY 582 -3.167 14.847 -4.060 388 HA2 GLY 582 HA2 GLY 582 -2.239 15.968 -6.384 389 HA3 GLY 582 HA3 GLY 582 -3.175 16.807 -5.163 390 H SER 583 H SER 583 -1.052 16.392 -3.042 391 HA SER 583 HA SER 583 0.928 18.229 -4.143 392 HB2 SER 583 HB2 SER 583 -0.833 18.494 -1.771 393 HB3 SER 583 HB3 SER 583 0.853 18.830 -1.433 394 HG SER 583 HG SER 583 -0.152 20.768 -2.102 395 H ALA 584 H ALA 584 1.145 15.353 -4.073 396 HA ALA 584 HA ALA 584 3.498 15.144 -2.413 397 HB1 ALA 584 HB1 ALA 584 2.268 12.749 -1.802 398 HB2 ALA 584 HB2 ALA 584 2.354 14.161 -0.722 399 HB3 ALA 584 HB3 ALA 584 0.910 13.897 -1.729 400 H SER 585 H SER 585 5.012 13.738 -3.318 401 HA SER 585 HA SER 585 4.080 12.428 -5.753 402 HB2 SER 585 HB2 SER 585 6.739 13.759 -5.106 403 HB3 SER 585 HB3 SER 585 6.553 12.670 -6.466 404 HG SER 585 HG SER 585 4.914 14.078 -7.334 405 H GLN 586 H GLN 586 4.695 11.766 -2.637 406 HA GLN 586 HA GLN 586 5.639 9.134 -3.289 407 HB2 GLN 586 HB2 GLN 586 7.085 10.813 -1.192 408 HB3 GLN 586 HB3 GLN 586 7.434 9.144 -1.596 409 HG2 GLN 586 HG2 GLN 586 8.015 9.827 -3.932 410 HG3 GLN 586 HG3 GLN 586 7.658 11.496 -3.534 411 HE21 GLN 586 HE12 GLN 586 10.090 9.494 -4.058 412 HE22 GLN 586 HE22 GLN 586 11.324 10.109 -3.010 413 H LEU 587 H LEU 587 4.816 7.556 -1.866 414 HA LEU 587 HA LEU 587 3.522 8.515 0.559 415 HB2 LEU 587 HB2 LEU 587 1.891 8.558 -1.371 416 HB3 LEU 587 HB3 LEU 587 2.051 6.814 -1.452 417 HG LEU 587 HG LEU 587 1.352 7.969 1.204 418 HD11 LEU 587 HD11 LEU 587 -0.059 8.851 -1.045 419 HD12 LEU 587 HD12 LEU 587 -1.063 7.560 -0.341 420 HD13 LEU 587 HD13 LEU 587 -0.566 8.946 0.659 421 HD21 LEU 587 HD21 LEU 587 1.110 5.786 1.551 422 HD22 LEU 587 HD22 LEU 587 -0.358 5.869 0.547 423 HD23 LEU 587 HD23 LEU 587 1.200 5.425 -0.190 424 H GLU 588 H GLU 588 3.946 7.177 2.247 425 HA GLU 588 HA GLU 588 5.367 4.760 1.598 426 HB2 GLU 588 HB2 GLU 588 6.078 6.501 3.378 427 HB3 GLU 588 HB3 GLU 588 4.790 5.855 4.376 428 HG2 GLU 588 HG2 GLU 588 6.051 4.061 4.960 429 HG3 GLU 588 HG3 GLU 588 6.339 3.651 3.281 430 HE2 GLU 588 HE GLU 588 8.226 4.169 2.464 431 H ALA 589 H ALA 589 4.753 2.644 2.366 432 HA ALA 589 HA ALA 589 2.059 2.452 3.479 433 HB1 ALA 589 HB1 ALA 589 3.059 1.119 0.934 434 HB2 ALA 589 HB2 ALA 589 1.591 0.616 1.806 435 HB3 ALA 589 HB3 ALA 589 1.692 2.247 1.101 436 H ALA 590 H ALA 590 1.725 0.548 4.740 437 HA ALA 590 HA ALA 590 4.061 -1.186 5.029 438 HB1 ALA 590 HB1 ALA 590 2.883 0.669 7.056 439 HB2 ALA 590 HB2 ALA 590 3.340 -0.957 7.616 440 HB3 ALA 590 HB3 ALA 590 4.559 0.100 6.864 441 H PHE 591 H PHE 591 3.523 -3.289 5.973 442 HA PHE 591 HA PHE 591 0.656 -3.861 5.695 443 HB2 PHE 591 HB2 PHE 591 2.936 -5.874 5.458 444 HB3 PHE 591 HB3 PHE 591 1.350 -5.959 4.719 445 HD1 PHE 591 HD1 PHE 591 1.151 -3.329 3.404 446 HD2 PHE 591 HD2 PHE 591 4.437 -5.998 3.692 447 HE1 PHE 591 HE1 PHE 591 2.095 -2.397 1.273 448 HE2 PHE 591 HE2 PHE 591 5.381 -5.066 1.561 449 HZ PHE 591 HZ PHE 591 4.198 -3.277 0.377 450 H ASN 592 H ASN 592 -0.385 -4.676 7.460 451 HA ASN 592 HA ASN 592 1.187 -6.115 9.394 452 HB2 ASN 592 HB2 ASN 592 0.396 -4.764 11.295 453 HB3 ASN 592 HB3 ASN 592 1.212 -3.710 10.158 454 HD21 ASN 592 HD21 ASN 592 -0.179 -2.676 8.484 455 HD22 ASN 592 HD22 ASN 592 -1.735 -2.082 8.958 456 H ASP 593 H ASP 593 -0.105 -7.751 10.380 457 HA ASP 593 HA ASP 593 -2.440 -8.464 9.165 458 HB2 ASP 593 HB2 ASP 593 -2.762 -9.950 11.208 459 HB3 ASP 593 HB3 ASP 593 -1.200 -10.096 10.427 460 HD2 ASP 593 HD ASP 593 -0.620 -9.910 13.991 461 H GLY 594 H GLY 594 -1.889 -6.933 12.429 462 HA2 GLY 594 HA2 GLY 594 -4.053 -5.166 12.274 463 HA3 GLY 594 HA3 GLY 594 -4.605 -6.614 13.094 464 H ASN 595 H ASN 595 -1.266 -5.246 13.148 465 HA ASN 595 HA ASN 595 -0.191 -4.151 14.729 466 HB2 ASN 595 HB2 ASN 595 -2.602 -3.338 15.500 467 HB3 ASN 595 HB3 ASN 595 -2.419 -4.536 16.766 468 HD21 ASN 595 HD21 ASN 595 -2.414 -1.491 16.574 469 HD22 ASN 595 HD22 ASN 595 -1.043 -0.984 17.503 470 H ASN 596 H ASN 596 1.180 -6.083 14.759 471 HA ASN 596 HA ASN 596 1.770 -7.182 17.067 472 HB2 ASN 596 HB2 ASN 596 -0.712 -8.446 16.035 473 HB3 ASN 596 HB3 ASN 596 0.545 -9.616 16.387 474 HD21 ASN 596 HD21 ASN 596 -0.837 -10.381 18.055 475 HD22 ASN 596 HD22 ASN 596 -0.903 -9.605 19.602 476 H ASN 597 H ASN 597 1.176 -7.578 13.604 477 HA ASN 597 HA ASN 597 3.722 -8.949 13.406 478 HB2 ASN 597 HB2 ASN 597 1.087 -10.033 12.669 479 HB3 ASN 597 HB3 ASN 597 2.137 -9.955 11.268 480 HD21 ASN 597 HD21 ASN 597 2.066 -12.255 11.287 481 HD22 ASN 597 HD22 ASN 597 3.102 -13.179 12.323 482 H TRP 598 H TRP 598 4.566 -6.855 12.684 483 HA TRP 598 HA TRP 598 3.319 -5.726 10.299 484 HB2 TRP 598 HB2 TRP 598 5.516 -4.635 12.066 485 HB3 TRP 598 HB3 TRP 598 4.769 -3.805 10.715 486 HD1 TRP 598 HD TRP 598 3.631 -5.274 14.156 487 HE1 TRP 598 HE1 TRP 598 1.679 -3.822 15.179 488 HE3 TRP 598 HE3 TRP 598 3.199 -2.115 10.196 489 HZ2 TRP 598 HZ2 TRP 598 0.208 -1.565 14.238 490 HZ3 TRP 598 HZ3 TRP 598 1.481 -0.314 10.328 491 HH2 TRP 598 HH TRP 598 0.015 -0.012 12.261 492 H ASP 599 H ASP 599 4.158 -6.178 8.303 493 HA ASP 599 HA ASP 599 6.639 -7.647 8.262 494 HB2 ASP 599 HB2 ASP 599 4.220 -7.469 6.611 495 HB3 ASP 599 HB3 ASP 599 5.656 -7.311 5.619 496 HD2 ASP 599 HD ASP 599 4.265 -10.337 5.632 497 H SER 600 H SER 600 5.325 -4.463 7.757 498 HA SER 600 HA SER 600 6.609 -3.405 5.688 499 HB2 SER 600 HB2 SER 600 5.186 -1.995 6.968 500 HB3 SER 600 HB3 SER 600 6.063 -2.297 8.455 501 HG SER 600 HG SER 600 7.582 -0.823 7.928 502 H ASN 601 H ASN 601 8.008 -3.199 9.048 503 HA ASN 601 HA ASN 601 10.339 -4.364 8.736 504 HB2 ASN 601 HB2 ASN 601 10.306 -1.867 7.115 505 HB3 ASN 601 HB3 ASN 601 11.666 -1.956 8.216 506 HD21 ASN 601 HD21 ASN 601 12.252 -4.581 8.352 507 HD22 ASN 601 HD22 ASN 601 12.758 -5.207 6.818 508 H ASN 602 H ASN 602 8.513 -1.493 9.708 509 HA ASN 602 HA ASN 602 8.241 -0.681 11.740 510 HB2 ASN 602 HB2 ASN 602 9.634 -2.913 12.474 511 HB3 ASN 602 HB3 ASN 602 10.839 -1.706 12.876 512 HD21 ASN 602 HD21 ASN 602 10.804 -1.229 14.926 513 HD22 ASN 602 HD22 ASN 602 9.414 -1.012 15.937 514 H THR 603 H THR 603 10.861 -0.427 9.605 515 HA THR 603 HA THR 603 11.318 2.278 10.098 516 HB THR 603 HB THR 603 12.481 0.941 12.125 517 HG1 THR 603 HG1 THR 603 13.776 2.955 10.424 518 HG21 THR 603 HG21 THR 603 14.635 0.148 11.714 519 HG22 THR 603 HG22 THR 603 13.909 -0.259 10.140 520 HG23 THR 603 HG23 THR 603 14.871 1.228 10.319 521 H LYS 604 H LYS 604 10.704 0.450 7.938 522 HA LYS 604 HA LYS 604 12.496 1.480 6.043 523 HB2 LYS 604 HB2 LYS 604 13.802 -0.466 7.255 524 HB3 LYS 604 HB3 LYS 604 12.821 -1.497 6.233 525 HG2 LYS 604 HG2 LYS 604 14.799 -1.070 4.960 526 HG3 LYS 604 HG3 LYS 604 13.571 -0.046 4.243 527 HD2 LYS 604 HD2 LYS 604 14.530 1.918 5.041 528 HD3 LYS 604 HD3 LYS 604 15.153 1.158 6.492 529 HE2 LYS 604 HE2 LYS 604 17.143 0.594 5.499 530 HE3 LYS 604 HE3 LYS 604 16.373 0.094 4.007 531 HZ2 LYS 604 HZ2 LYS 604 16.246 2.368 3.298 532 HZ3 LYS 604 HZ3 LYS 604 16.700 2.949 4.750 533 H ASN 605 H ASN 605 9.766 1.666 6.357 534 HA ASN 605 HA ASN 605 8.282 -0.328 5.211 535 HB2 ASN 605 HB2 ASN 605 7.728 2.646 4.795 536 HB3 ASN 605 HB3 ASN 605 6.552 1.355 4.941 537 HD21 ASN 605 HD21 ASN 605 5.441 1.972 6.676 538 HD22 ASN 605 HD22 ASN 605 6.082 2.188 8.271 539 H TYR 606 H TYR 606 6.932 1.239 3.038 540 HA TYR 606 HA TYR 606 9.065 1.293 1.017 541 HB2 TYR 606 HB2 TYR 606 6.183 0.273 0.696 542 HB3 TYR 606 HB3 TYR 606 7.497 0.051 -0.442 543 HD1 TYR 606 HD2 TYR 606 9.498 -1.408 0.316 544 HD2 TYR 606 HD1 TYR 606 5.717 -1.368 2.317 545 HE1 TYR 606 HE2 TYR 606 10.027 -3.658 1.377 546 HE2 TYR 606 HE1 TYR 606 6.258 -3.617 3.371 547 HH TYR 606 HH TYR 606 9.387 -5.187 2.760 548 H LEU 607 H LEU 607 9.053 3.082 -0.276 549 HA LEU 607 HA LEU 607 6.653 4.768 -0.102 550 HB2 LEU 607 HB2 LEU 607 8.431 5.844 1.027 551 HB3 LEU 607 HB3 LEU 607 9.578 5.468 -0.244 552 HG LEU 607 HG LEU 607 7.206 7.196 -0.879 553 HD11 LEU 607 HD11 LEU 607 7.773 8.641 0.732 554 HD12 LEU 607 HD12 LEU 607 9.349 7.862 1.015 555 HD13 LEU 607 HD13 LEU 607 9.161 9.034 -0.312 556 HD21 LEU 607 HD21 LEU 607 9.434 8.208 -2.139 557 HD22 LEU 607 HD22 LEU 607 9.753 6.457 -2.122 558 HD23 LEU 607 HD23 LEU 607 8.252 7.081 -2.848 559 H PHE 608 H PHE 608 5.640 5.349 -1.984 560 HA PHE 608 HA PHE 608 7.082 4.934 -4.474 561 HB2 PHE 608 HB2 PHE 608 4.541 3.565 -3.465 562 HB3 PHE 608 HB3 PHE 608 4.750 3.812 -5.187 563 HD1 PHE 608 HD1 PHE 608 6.500 2.344 -2.243 564 HD2 PHE 608 HD2 PHE 608 5.881 2.218 -6.439 565 HE1 PHE 608 HE1 PHE 608 7.858 0.238 -2.380 566 HE2 PHE 608 HE2 PHE 608 7.239 0.112 -6.576 567 HZ PHE 608 HZ PHE 608 8.212 -0.853 -4.545 568 H SER 609 H SER 609 5.926 5.925 -6.357 569 HA SER 609 HA SER 609 4.292 8.136 -5.390 570 HB2 SER 609 HB2 SER 609 6.513 8.720 -6.427 571 HB3 SER 609 HB3 SER 609 5.983 7.982 -7.925 572 HG SER 609 HG SER 609 4.911 10.323 -6.618 573 H THR 610 H THR 610 2.876 9.045 -7.408 574 HA THR 610 HA THR 610 0.809 7.411 -7.864 575 HB THR 610 HB THR 610 0.459 8.853 -9.952 576 HG1 THR 610 HG1 THR 610 2.935 10.066 -9.015 577 HG21 THR 610 HG21 THR 610 -0.148 9.797 -7.706 578 HG22 THR 610 HG22 THR 610 1.535 10.337 -7.496 579 HG23 THR 610 HG23 THR 610 0.526 11.049 -8.777 580 H GLY 611 H GLY 611 0.010 6.146 -9.691 581 HA2 GLY 611 HA2 GLY 611 0.702 5.081 -11.803 582 HA3 GLY 611 HA3 GLY 611 2.224 4.701 -11.023 583 H THR 612 H THR 612 1.642 2.417 -11.611 584 HA THR 612 HA THR 612 -0.303 1.297 -9.702 585 HB THR 612 HB THR 612 0.684 -0.094 -12.216 586 HG1 THR 612 HG1 THR 612 -0.035 2.063 -12.822 587 HG21 THR 612 HG21 THR 612 -1.923 -0.016 -10.615 588 HG22 THR 612 HG22 THR 612 -1.781 -0.795 -12.209 589 HG23 THR 612 HG23 THR 612 -0.839 -1.411 -10.831 590 H SER 613 H SER 613 0.419 0.059 -8.087 591 HA SER 613 HA SER 613 3.029 -1.162 -8.475 592 HB2 SER 613 HB2 SER 613 2.577 1.031 -6.788 593 HB3 SER 613 HB3 SER 613 2.517 -0.335 -5.692 594 HG SER 613 HG SER 613 4.604 -0.965 -7.038 595 H THR 614 H THR 614 3.385 -3.073 -7.015 596 HA THR 614 HA THR 614 0.900 -4.130 -5.871 597 HB THR 614 HB THR 614 2.760 -5.801 -7.618 598 HG1 THR 614 HG1 THR 614 1.827 -3.922 -8.781 599 HG21 THR 614 HG21 THR 614 0.750 -7.190 -7.892 600 HG22 THR 614 HG22 THR 614 1.026 -6.951 -6.150 601 HG23 THR 614 HG23 THR 614 -0.231 -6.010 -6.990 602 H TYR 615 H TYR 615 1.210 -4.598 -3.796 603 HA TYR 615 HA TYR 615 3.955 -5.050 -2.916 604 HB2 TYR 615 HB2 TYR 615 2.993 -3.601 -1.352 605 HB3 TYR 615 HB3 TYR 615 1.377 -3.947 -1.935 606 HD1 TYR 615 HD1 TYR 615 3.952 -6.158 -0.329 607 HD2 TYR 615 HD2 TYR 615 0.040 -4.440 -0.097 608 HE1 TYR 615 HE1 TYR 615 3.477 -7.505 1.775 609 HE2 TYR 615 HE2 TYR 615 -0.421 -5.793 2.006 610 HH TYR 615 HH TYR 615 0.327 -7.777 3.067 611 H THR 616 H THR 616 4.700 -7.085 -2.611 612 HA THR 616 HA THR 616 2.702 -9.148 -1.950 613 HB THR 616 HB THR 616 5.230 -9.423 -3.660 614 HG1 THR 616 HG1 THR 616 3.463 -9.599 -5.322 615 HG21 THR 616 HG21 THR 616 4.469 -11.622 -4.162 616 HG22 THR 616 HG22 THR 616 4.160 -11.496 -2.414 617 HG23 THR 616 HG23 THR 616 2.825 -11.283 -3.572 618 HA PRO 617 HA PRO 617 5.263 -9.373 1.569 619 HB2 PRO 617 HB2 PRO 617 3.563 -10.873 3.095 620 HB3 PRO 617 HB3 PRO 617 3.490 -9.124 3.017 621 HG2 PRO 617 HG2 PRO 617 1.697 -11.112 1.763 622 HG3 PRO 617 HG3 PRO 617 1.413 -9.408 2.055 623 HD2 PRO 617 HD2 PRO 617 2.078 -10.632 -0.452 624 HD3 PRO 617 HD3 PRO 617 1.908 -8.917 -0.136 625 H GLY 618 H GLY 618 6.957 -10.482 0.535 626 HA2 GLY 618 HA2 GLY 618 6.619 -13.359 0.284 627 HA3 GLY 618 HA3 GLY 618 7.997 -12.392 -0.205 628 H SER 619 H SER 619 9.468 -13.894 0.827 629 HA SER 619 HA SER 619 10.299 -13.134 3.295 630 HB2 SER 619 HB2 SER 619 8.229 -15.302 3.383 631 HB3 SER 619 HB3 SER 619 9.632 -15.520 4.409 632 HG SER 619 HG SER 619 7.624 -14.242 5.211 633 H ASN 620 H ASN 620 9.865 -15.727 0.883 634 HA ASN 620 HA ASN 620 12.326 -16.974 1.651 635 HB2 ASN 620 HB2 ASN 620 10.034 -17.568 -0.152 636 HB3 ASN 620 HB3 ASN 620 11.577 -18.058 -0.821 637 HD21 ASN 620 HD21 ASN 620 13.085 -19.010 1.003 638 HD22 ASN 620 HD22 ASN 620 12.383 -20.289 1.936 639 H GLY 621 H GLY 621 13.637 -14.934 1.225 640 HA2 GLY 621 HA2 GLY 621 15.376 -14.318 -0.227 641 HA3 GLY 621 HA3 GLY 621 14.409 -14.797 -1.608 642 H ALA 622 H ALA 622 11.905 -13.508 -0.755 643 HA ALA 622 HA ALA 622 12.736 -10.698 -1.016 644 HB1 ALA 622 HB1 ALA 622 11.709 -10.887 -3.029 645 HB2 ALA 622 HB2 ALA 622 10.891 -12.401 -2.576 646 HB3 ALA 622 HB3 ALA 622 10.200 -10.836 -2.086 647 H ALA 623 H ALA 623 12.502 -9.855 1.016 648 HA ALA 623 HA ALA 623 10.213 -10.725 2.595 649 HB1 ALA 623 HB1 ALA 623 11.396 -9.418 4.392 650 HB2 ALA 623 HB2 ALA 623 12.365 -10.745 3.708 651 HB3 ALA 623 HB3 ALA 623 12.686 -9.064 3.217 652 H GLY 624 H GLY 624 8.361 -9.697 1.928 653 HA2 GLY 624 HA2 GLY 624 6.958 -8.030 1.356 654 HA3 GLY 624 HA3 GLY 624 7.789 -7.118 2.600 655 H THR 625 H THR 625 7.335 -7.599 -0.845 656 HA THR 625 HA THR 625 8.963 -5.212 -1.329 657 HB THR 625 HB THR 625 9.852 -6.397 -3.402 658 HG1 THR 625 HG1 THR 625 8.116 -8.029 -3.380 659 HG21 THR 625 HG21 THR 625 11.639 -6.832 -2.041 660 HG22 THR 625 HG22 THR 625 10.579 -6.967 -0.618 661 HG23 THR 625 HG23 THR 625 10.868 -8.388 -1.650 662 H ILE 626 H ILE 626 8.304 -3.941 -3.129 663 HA ILE 626 HA ILE 626 5.628 -4.678 -4.093 664 HB ILE 626 HB ILE 626 6.400 -1.820 -3.867 665 HG12 ILE 626 HG11 ILE 626 5.650 -3.519 -1.470 666 HG13 ILE 626 HG12 ILE 626 7.166 -2.675 -1.719 667 HG21 ILE 626 HG21 ILE 626 3.778 -3.060 -3.091 668 HG22 ILE 626 HG22 ILE 626 4.123 -1.446 -3.758 669 HG23 ILE 626 HG23 ILE 626 4.215 -2.881 -4.807 670 HD11 ILE 626 HD11 ILE 626 4.439 -1.309 -1.570 671 HD12 ILE 626 HD12 ILE 626 5.601 -1.413 -0.226 672 HD13 ILE 626 HD13 ILE 626 6.018 -0.497 -1.694 673 H ARG 627 H ARG 627 5.395 -4.786 -6.274 674 HA ARG 627 HA ARG 627 7.669 -3.801 -7.795 675 HB2 ARG 627 HB2 ARG 627 6.007 -6.247 -7.931 676 HB3 ARG 627 HB3 ARG 627 6.174 -5.472 -9.494 677 HG2 ARG 627 HG2 ARG 627 8.053 -6.911 -9.402 678 HG3 ARG 627 HG3 ARG 627 8.723 -5.349 -8.974 679 HD2 ARG 627 HD1 ARG 627 7.689 -6.813 -6.620 680 HD3 ARG 627 HD2 ARG 627 8.944 -7.701 -7.462 681 HE ARG 627 HE ARG 627 9.355 -5.395 -5.832 682 HH11 ARG 627 HH22 ARG 627 10.416 -6.687 -8.956 683 HH12 ARG 627 HH21 ARG 627 11.939 -5.863 -8.920 684 HH22 ARG 627 HH1 ARG 627 12.475 -4.469 -7.045 685 H THR 628 H THR 628 7.324 -2.236 -9.388 686 HA THR 628 HA THR 628 4.726 -1.019 -9.477 687 HB THR 628 HB THR 628 6.640 -0.047 -11.450 688 HG1 THR 628 HG1 THR 628 8.357 0.264 -9.811 689 HG21 THR 628 HG21 THR 628 5.289 0.909 -8.941 690 HG22 THR 628 HG22 THR 628 6.817 1.715 -9.372 691 HG23 THR 628 HG23 THR 628 5.452 1.724 -10.515 692 H GLY 629 H GLY 629 3.333 -0.785 -11.261 693 HA2 GLY 629 HA2 GLY 629 2.921 -1.223 -13.595 694 HA3 GLY 629 HA3 GLY 629 3.826 -2.716 -13.445 695 H ALA 630 H ALA 630 0.890 -2.009 -14.171 696 HA ALA 630 HA ALA 630 -0.782 -2.918 -12.138 697 HB1 ALA 630 HB1 ALA 630 -1.358 -3.395 -15.059 698 HB2 ALA 630 HB2 ALA 630 -2.447 -2.831 -13.769 699 HB3 ALA 630 HB3 ALA 630 -1.224 -1.729 -14.447 700 HA PRO 631 HA PRO 631 0.333 -7.137 -12.216 701 HB2 PRO 631 HB2 PRO 631 -1.294 -7.974 -10.186 702 HB3 PRO 631 HB3 PRO 631 0.291 -7.277 -9.918 703 HG2 PRO 631 HG2 PRO 631 -2.367 -6.048 -9.514 704 HG3 PRO 631 HG3 PRO 631 -0.816 -5.548 -8.867 705 HD2 PRO 631 HD2 PRO 631 -2.238 -4.339 -11.045 706 HD3 PRO 631 HD3 PRO 631 -0.637 -3.913 -10.474 707 H SER 632 H SER 632 -0.589 -9.320 -12.556 708 HA SER 632 HA SER 632 -3.267 -9.108 -13.628 709 HB2 SER 632 HB2 SER 632 -1.736 -8.731 -15.549 710 HB3 SER 632 HB3 SER 632 -0.899 -10.229 -15.191 711 HG SER 632 HG SER 632 -3.584 -9.861 -16.163 712 H GLY 633 H GLY 633 -3.765 -10.341 -11.654 713 HA2 GLY 633 HA2 GLY 633 -4.051 -12.213 -10.439 714 HA3 GLY 633 HA3 GLY 633 -4.047 -13.047 -11.981 Start of MODEL 8 1 H1 GLY 530 H GLY 530 -5.329 25.468 -4.775 2 HA2 GLY 530 HA2 GLY 530 -7.642 23.703 -4.602 3 HA3 GLY 530 HA3 GLY 530 -7.222 24.277 -6.203 4 H GLY 531 H GLY 531 -7.052 21.639 -6.053 5 HA2 GLY 531 HA2 GLY 531 -4.461 20.969 -6.704 6 HA3 GLY 531 HA3 GLY 531 -4.609 20.621 -4.993 7 H THR 532 H THR 532 -5.504 19.664 -8.249 8 HA THR 532 HA THR 532 -7.662 18.087 -8.014 9 HB THR 532 HB THR 532 -6.462 16.634 -9.744 10 HG1 THR 532 HG1 THR 532 -4.247 16.942 -9.846 11 HG21 THR 532 HG21 THR 532 -5.503 19.201 -10.711 12 HG22 THR 532 HG22 THR 532 -6.920 18.277 -11.262 13 HG23 THR 532 HG23 THR 532 -7.080 19.434 -9.919 14 H THR 533 H THR 533 -4.350 17.220 -6.872 15 HA THR 533 HA THR 533 -3.784 15.863 -5.173 16 HB THR 533 HB THR 533 -6.488 16.377 -4.623 17 HG1 THR 533 HG1 THR 533 -5.729 15.364 -2.567 18 HG21 THR 533 HG21 THR 533 -7.209 14.180 -5.523 19 HG22 THR 533 HG22 THR 533 -5.918 13.365 -4.608 20 HG23 THR 533 HG23 THR 533 -7.266 14.143 -3.745 21 H ASN 534 H ASN 534 -2.483 14.366 -6.030 22 HA ASN 534 HA ASN 534 -3.363 12.672 -8.069 23 HB2 ASN 534 HB2 ASN 534 -0.972 11.972 -6.347 24 HB3 ASN 534 HB3 ASN 534 -1.135 11.869 -8.089 25 HD21 ASN 534 HD21 ASN 534 0.236 13.175 -9.018 26 HD22 ASN 534 HD22 ASN 534 0.583 14.817 -8.589 27 H LYS 535 H LYS 535 -2.814 10.105 -7.714 28 HA LYS 535 HA LYS 535 -3.681 9.244 -5.074 29 HB2 LYS 535 HB2 LYS 535 -5.158 8.567 -7.634 30 HB3 LYS 535 HB3 LYS 535 -5.380 7.723 -6.114 31 HG2 LYS 535 HG2 LYS 535 -7.023 9.298 -5.791 32 HG3 LYS 535 HG3 LYS 535 -5.686 10.277 -5.222 33 HD2 LYS 535 HD2 LYS 535 -6.728 11.700 -6.789 34 HD3 LYS 535 HD3 LYS 535 -5.413 11.011 -7.720 35 HE2 LYS 535 HE2 LYS 535 -6.838 9.601 -8.961 36 HE3 LYS 535 HE3 LYS 535 -8.074 9.576 -7.719 37 HZ2 LYS 535 HZ2 LYS 535 -7.459 11.819 -9.557 38 HZ3 LYS 535 HZ3 LYS 535 -8.857 10.993 -9.444 39 H VAL 536 H VAL 536 -2.863 7.215 -4.487 40 HA VAL 536 HA VAL 536 -1.046 6.055 -6.485 41 HB VAL 536 HB VAL 536 0.271 5.294 -4.522 42 HG11 VAL 536 HG11 VAL 536 0.723 7.935 -3.862 43 HG12 VAL 536 HG12 VAL 536 1.424 7.077 -5.255 44 HG13 VAL 536 HG13 VAL 536 -0.046 8.059 -5.462 45 HG21 VAL 536 HG21 VAL 536 -2.017 6.222 -3.082 46 HG22 VAL 536 HG22 VAL 536 -0.558 5.417 -2.457 47 HG23 VAL 536 HG23 VAL 536 -0.611 7.192 -2.580 48 H THR 537 H THR 537 -1.802 4.170 -7.284 49 HA THR 537 HA THR 537 -3.611 2.611 -5.577 50 HB THR 537 HB THR 537 -3.096 2.703 -8.594 51 HG1 THR 537 HG1 THR 537 -4.724 4.173 -8.321 52 HG21 THR 537 HG21 THR 537 -3.869 0.407 -7.442 53 HG22 THR 537 HG22 THR 537 -5.418 1.268 -7.286 54 HG23 THR 537 HG23 THR 537 -4.703 1.008 -8.895 55 H VAL 538 H VAL 538 -2.957 0.800 -4.607 56 HA VAL 538 HA VAL 538 -0.584 -0.508 -5.742 57 HB VAL 538 HB VAL 538 -1.239 -0.211 -2.806 58 HG11 VAL 538 HG11 VAL 538 0.888 -1.183 -2.375 59 HG12 VAL 538 HG12 VAL 538 0.105 -2.221 -3.590 60 HG13 VAL 538 HG13 VAL 538 1.370 -1.070 -4.085 61 HG21 VAL 538 HG21 VAL 538 0.772 1.323 -4.487 62 HG22 VAL 538 HG22 VAL 538 -0.699 1.982 -3.731 63 HG23 VAL 538 HG23 VAL 538 0.638 1.393 -2.714 64 H TYR 539 H TYR 539 -0.641 -2.769 -5.819 65 HA TYR 539 HA TYR 539 -3.249 -3.916 -5.086 66 HB2 TYR 539 HB2 TYR 539 -1.255 -4.115 -7.345 67 HB3 TYR 539 HB3 TYR 539 -1.960 -5.644 -6.860 68 HD1 TYR 539 HD2 TYR 539 -2.862 -2.199 -7.982 69 HD2 TYR 539 HD1 TYR 539 -4.100 -6.278 -7.622 70 HE1 TYR 539 HE2 TYR 539 -4.919 -1.706 -9.393 71 HE2 TYR 539 HE1 TYR 539 -6.153 -5.772 -9.034 72 HH TYR 539 HH TYR 539 -7.279 -4.272 -10.095 73 H TYR 540 H TYR 540 -3.330 -5.663 -3.716 74 HA TYR 540 HA TYR 540 -0.723 -6.744 -2.879 75 HB2 TYR 540 HB2 TYR 540 -1.886 -5.375 -1.144 76 HB3 TYR 540 HB3 TYR 540 -3.401 -6.196 -1.461 77 HD1 TYR 540 HD2 TYR 540 -3.696 -8.586 -0.753 78 HD2 TYR 540 HD1 TYR 540 -0.253 -6.300 0.351 79 HE1 TYR 540 HE2 TYR 540 -3.165 -10.261 1.085 80 HE2 TYR 540 HE1 TYR 540 0.267 -7.982 2.185 81 HH TYR 540 HH TYR 540 -0.165 -10.093 2.862 82 H LYS 541 H LYS 541 -0.484 -8.973 -2.760 83 HA LYS 541 HA LYS 541 -2.626 -10.480 -4.014 84 HB2 LYS 541 HB2 LYS 541 -0.207 -10.577 -4.770 85 HB3 LYS 541 HB3 LYS 541 0.157 -11.417 -3.276 86 HG2 LYS 541 HG2 LYS 541 -1.122 -13.316 -3.865 87 HG3 LYS 541 HG3 LYS 541 -2.120 -12.423 -4.995 88 HD2 LYS 541 HD2 LYS 541 0.024 -12.098 -6.413 89 HD3 LYS 541 HD3 LYS 541 0.779 -13.286 -5.369 90 HE2 LYS 541 HE2 LYS 541 -1.349 -14.761 -5.940 91 HE3 LYS 541 HE3 LYS 541 -1.534 -13.664 -7.294 92 HZ2 LYS 541 HZ2 LYS 541 0.808 -15.389 -6.726 93 HZ3 LYS 541 HZ3 LYS 541 -0.164 -15.448 -8.030 94 H LYS 542 H LYS 542 -4.002 -11.796 -2.926 95 HA LYS 542 HA LYS 542 -3.757 -11.875 -0.065 96 HB2 LYS 542 HB2 LYS 542 -5.936 -11.487 -0.910 97 HB3 LYS 542 HB3 LYS 542 -5.832 -12.817 -2.047 98 HG2 LYS 542 HG2 LYS 542 -6.856 -14.098 -0.475 99 HG3 LYS 542 HG3 LYS 542 -5.347 -14.064 0.415 100 HD2 LYS 542 HD2 LYS 542 -7.296 -13.337 1.811 101 HD3 LYS 542 HD3 LYS 542 -6.062 -12.099 1.690 102 HE2 LYS 542 HE2 LYS 542 -7.538 -10.646 0.762 103 HE3 LYS 542 HE3 LYS 542 -7.902 -11.776 -0.527 104 HZ2 LYS 542 HZ2 LYS 542 -9.694 -11.065 1.305 105 HZ3 LYS 542 HZ3 LYS 542 -9.753 -12.513 0.563 106 H GLY 543 H GLY 543 -2.611 -15.062 0.654 107 HA2 GLY 543 HA2 GLY 543 -2.479 -12.551 1.586 108 HA3 GLY 543 HA3 GLY 543 -4.207 -12.752 1.380 109 H PHE 544 H PHE 544 -4.514 -12.609 3.705 110 HA PHE 544 HA PHE 544 -3.721 -15.090 5.060 111 HB2 PHE 544 HB2 PHE 544 -3.439 -12.187 5.688 112 HB3 PHE 544 HB3 PHE 544 -4.210 -13.070 6.990 113 HD1 PHE 544 HD1 PHE 544 -2.999 -14.993 8.050 114 HD2 PHE 544 HD2 PHE 544 -1.110 -12.390 5.282 115 HE1 PHE 544 HE1 PHE 544 -0.751 -15.769 8.854 116 HE2 PHE 544 HE2 PHE 544 1.138 -13.165 6.086 117 HZ PHE 544 HZ PHE 544 1.290 -14.846 7.862 118 H ASN 545 H ASN 545 -5.847 -12.286 5.927 119 HA ASN 545 HA ASN 545 -8.161 -13.919 5.563 120 HB2 ASN 545 HB2 ASN 545 -7.245 -13.002 8.334 121 HB3 ASN 545 HB3 ASN 545 -8.906 -13.447 8.001 122 HD21 ASN 545 HD21 ASN 545 -5.631 -14.528 8.354 123 HD22 ASN 545 HD22 ASN 545 -5.922 -16.235 8.387 124 H SER 546 H SER 546 -6.695 -10.969 7.101 125 HA SER 546 HA SER 546 -8.130 -9.234 5.480 126 HB2 SER 546 HB2 SER 546 -9.563 -8.169 7.290 127 HB3 SER 546 HB3 SER 546 -10.112 -9.739 6.738 128 HG SER 546 HG SER 546 -9.974 -10.408 8.756 129 HA PRO 547 HA PRO 547 -4.533 -7.740 7.902 130 HB2 PRO 547 HB2 PRO 547 -2.714 -7.540 5.872 131 HB3 PRO 547 HB3 PRO 547 -2.816 -8.931 6.934 132 HG2 PRO 547 HG2 PRO 547 -3.712 -8.671 4.129 133 HG3 PRO 547 HG3 PRO 547 -3.414 -10.128 5.055 134 HD2 PRO 547 HD2 PRO 547 -5.970 -8.995 4.413 135 HD3 PRO 547 HD3 PRO 547 -5.667 -10.386 5.435 136 H TYR 548 H TYR 548 -3.793 -5.627 8.203 137 HA TYR 548 HA TYR 548 -5.203 -3.792 6.400 138 HB2 TYR 548 HB2 TYR 548 -4.343 -3.954 9.302 139 HB3 TYR 548 HB3 TYR 548 -4.310 -2.352 8.592 140 HD1 TYR 548 HD2 TYR 548 -6.566 -5.284 9.133 141 HD2 TYR 548 HD1 TYR 548 -6.275 -1.068 8.463 142 HE1 TYR 548 HE2 TYR 548 -9.061 -5.037 9.558 143 HE2 TYR 548 HE1 TYR 548 -8.771 -0.835 8.891 144 HH TYR 548 HH TYR 548 -10.856 -3.149 8.685 145 H ILE 549 H ILE 549 -4.098 -1.688 5.926 146 HA ILE 549 HA ILE 549 -1.182 -1.979 5.937 147 HB ILE 549 HB ILE 549 -1.421 -2.499 3.768 148 HG12 ILE 549 HG11 ILE 549 -1.989 0.395 3.215 149 HG13 ILE 549 HG12 ILE 549 -0.528 -0.036 4.082 150 HG21 ILE 549 HG21 ILE 549 -3.422 -1.418 2.404 151 HG22 ILE 549 HG22 ILE 549 -3.643 -2.868 3.411 152 HG23 ILE 549 HG23 ILE 549 -4.129 -1.272 4.030 153 HD11 ILE 549 HD11 ILE 549 -0.785 -0.024 1.328 154 HD12 ILE 549 HD12 ILE 549 0.461 -0.924 2.225 155 HD13 ILE 549 HD13 ILE 549 -1.033 -1.744 1.712 156 H HIS 550 H HIS 550 -0.016 -0.042 6.213 157 HA HIS 550 HA HIS 550 -1.696 2.309 6.678 158 HB2 HIS 550 HB2 HIS 550 -0.878 1.030 8.773 159 HB3 HIS 550 HB3 HIS 550 0.708 1.662 8.379 160 HD1 HIS 550 HD1 HIS 550 -1.607 4.218 7.375 161 HD2 HIS 550 HE2 HIS 550 -0.031 2.942 11.047 162 HE1 HIS 550 HE1 HIS 550 -1.949 6.148 9.009 163 H TYR 551 H TYR 551 -1.134 3.921 5.311 164 HA TYR 551 HA TYR 551 1.701 4.084 4.546 165 HB2 TYR 551 HB2 TYR 551 0.300 5.119 2.406 166 HB3 TYR 551 HB3 TYR 551 0.748 3.427 2.495 167 HD1 TYR 551 HD2 TYR 551 -2.002 5.613 3.843 168 HD2 TYR 551 HD1 TYR 551 -0.926 1.926 1.957 169 HE1 TYR 551 HE2 TYR 551 -4.454 4.949 3.723 170 HE2 TYR 551 HE1 TYR 551 -3.381 1.276 1.844 171 HH TYR 551 HH TYR 551 -5.443 1.998 2.055 172 H ARG 552 H ARG 552 2.367 6.288 3.821 173 HA ARG 552 HA ARG 552 0.578 8.360 4.728 174 HB2 ARG 552 HB2 ARG 552 1.760 8.755 6.633 175 HB3 ARG 552 HB3 ARG 552 2.878 7.466 6.235 176 HG2 ARG 552 HG2 ARG 552 4.236 9.006 4.862 177 HG3 ARG 552 HG3 ARG 552 3.076 10.297 5.106 178 HD2 ARG 552 HD2 ARG 552 4.251 10.906 6.954 179 HD3 ARG 552 HD3 ARG 552 3.699 9.432 7.725 180 HE ARG 552 HE ARG 552 5.825 8.518 6.257 181 HH11 ARG 552 HH22 ARG 552 5.500 11.263 8.474 182 HH12 ARG 552 HH21 ARG 552 7.162 11.224 8.962 183 HH22 ARG 552 HH1 ARG 552 8.623 9.572 8.025 184 HA PRO 553 HA PRO 553 2.380 10.380 1.308 185 HB2 PRO 553 HB2 PRO 553 1.828 13.002 1.845 186 HB3 PRO 553 HB3 PRO 553 0.648 11.892 1.178 187 HG2 PRO 553 HG2 PRO 553 0.855 12.941 3.934 188 HG3 PRO 553 HG3 PRO 553 -0.518 12.192 3.145 189 HD2 PRO 553 HD2 PRO 553 1.229 10.977 5.068 190 HD3 PRO 553 HD3 PRO 553 -0.072 10.195 4.193 191 H ALA 554 H ALA 554 4.121 11.640 0.437 192 HA ALA 554 HA ALA 554 6.474 11.306 1.577 193 HB1 ALA 554 HB1 ALA 554 5.346 13.534 -0.100 194 HB2 ALA 554 HB2 ALA 554 7.015 13.671 0.502 195 HB3 ALA 554 HB3 ALA 554 6.549 12.292 -0.522 196 H GLY 555 H GLY 555 4.916 14.567 1.942 197 HA2 GLY 555 HA2 GLY 555 5.908 14.587 4.730 198 HA3 GLY 555 HA3 GLY 555 6.065 15.961 3.653 199 H GLY 556 H GLY 556 3.756 13.890 5.440 200 HA2 GLY 556 HA2 GLY 556 1.884 16.144 5.506 201 HA3 GLY 556 HA3 GLY 556 1.310 14.615 4.871 202 H SER 557 H SER 557 1.097 12.762 6.263 203 HA SER 557 HA SER 557 1.941 12.893 8.938 204 HB2 SER 557 HB2 SER 557 0.098 14.426 9.269 205 HB3 SER 557 HB3 SER 557 -0.996 13.421 8.340 206 HG SER 557 HG SER 557 -1.517 12.520 10.205 207 H TRP 558 H TRP 558 0.465 11.003 10.194 208 HA TRP 558 HA TRP 558 0.499 8.767 8.288 209 HB2 TRP 558 HB2 TRP 558 1.248 9.026 11.173 210 HB3 TRP 558 HB3 TRP 558 0.645 7.489 10.585 211 HD1 TRP 558 HD TRP 558 3.771 9.621 10.569 212 HE1 TRP 558 HE1 TRP 558 5.773 8.453 9.306 213 HE3 TRP 558 HE3 TRP 558 0.991 5.889 8.520 214 HZ2 TRP 558 HZ2 TRP 558 5.964 6.151 7.630 215 HZ3 TRP 558 HZ3 TRP 558 2.163 4.223 7.084 216 HH2 TRP 558 HH TRP 558 4.562 4.311 6.627 217 H THR 559 H THR 559 -1.510 8.074 7.699 218 HA THR 559 HA THR 559 -3.872 9.059 8.656 219 HB THR 559 HB THR 559 -3.501 6.209 7.631 220 HG1 THR 559 HG1 THR 559 -3.290 8.856 6.386 221 HG21 THR 559 HG21 THR 559 -5.561 8.437 7.261 222 HG22 THR 559 HG22 THR 559 -5.456 7.047 6.154 223 HG23 THR 559 HG23 THR 559 -5.841 6.789 7.873 224 H ALA 560 H ALA 560 -5.683 7.554 9.658 225 HA ALA 560 HA ALA 560 -4.839 7.146 12.341 226 HB1 ALA 560 HB1 ALA 560 -7.423 6.020 11.836 227 HB2 ALA 560 HB2 ALA 560 -7.025 7.566 12.625 228 HB3 ALA 560 HB3 ALA 560 -7.273 7.503 10.863 229 H ALA 561 H ALA 561 -3.567 5.430 12.872 230 HA ALA 561 HA ALA 561 -3.564 3.044 11.350 231 HB1 ALA 561 HB1 ALA 561 -1.968 2.288 13.027 232 HB2 ALA 561 HB2 ALA 561 -1.623 3.986 12.620 233 HB3 ALA 561 HB3 ALA 561 -2.465 3.588 14.137 234 HA PRO 562 HA PRO 562 -3.450 1.193 11.303 235 HB2 PRO 562 HB2 PRO 562 -4.936 -0.758 10.096 236 HB3 PRO 562 HB3 PRO 562 -3.859 -1.069 11.442 237 HG2 PRO 562 HG2 PRO 562 -6.811 -0.921 11.427 238 HG3 PRO 562 HG3 PRO 562 -5.754 -1.635 12.629 239 HD2 PRO 562 HD2 PRO 562 -7.114 0.884 12.818 240 HD3 PRO 562 HD3 PRO 562 -5.967 0.223 13.967 241 H GLY 563 H GLY 563 -3.081 1.700 9.140 242 HA2 GLY 563 HA2 GLY 563 -4.314 3.838 8.097 243 HA3 GLY 563 HA3 GLY 563 -3.625 2.562 7.114 244 H VAL 564 H VAL 564 -4.963 1.235 5.891 245 HA VAL 564 HA VAL 564 -7.820 1.316 6.502 246 HB VAL 564 HB VAL 564 -6.890 1.570 3.667 247 HG11 VAL 564 HG11 VAL 564 -9.407 1.669 5.154 248 HG12 VAL 564 HG12 VAL 564 -9.199 3.063 4.067 249 HG13 VAL 564 HG13 VAL 564 -9.111 1.407 3.419 250 HG21 VAL 564 HG21 VAL 564 -5.755 3.393 4.900 251 HG22 VAL 564 HG22 VAL 564 -6.996 4.001 3.779 252 HG23 VAL 564 HG23 VAL 564 -7.331 3.932 5.526 253 H LYS 565 H LYS 565 -9.013 -0.488 5.432 254 HA LYS 565 HA LYS 565 -7.301 -2.830 5.401 255 HB2 LYS 565 HB2 LYS 565 -9.410 -2.673 6.778 256 HB3 LYS 565 HB3 LYS 565 -10.325 -2.673 5.284 257 HG2 LYS 565 HG2 LYS 565 -8.263 -4.842 5.751 258 HG3 LYS 565 HG3 LYS 565 -9.818 -4.957 6.551 259 HD2 LYS 565 HD2 LYS 565 -10.354 -4.249 3.824 260 HD3 LYS 565 HD3 LYS 565 -9.156 -5.527 3.781 261 HE2 LYS 565 HE2 LYS 565 -11.305 -6.034 5.756 262 HE3 LYS 565 HE3 LYS 565 -11.907 -5.888 4.117 263 HZ2 LYS 565 HZ2 LYS 565 -9.539 -7.567 4.575 264 HZ3 LYS 565 HZ3 LYS 565 -10.997 -8.169 4.977 265 H MET 566 H MET 566 -6.340 -3.345 3.508 266 HA MET 566 HA MET 566 -6.716 -2.369 1.114 267 HB2 MET 566 HB2 MET 566 -6.089 -5.188 2.056 268 HB3 MET 566 HB3 MET 566 -6.215 -4.903 0.332 269 HG2 MET 566 HG2 MET 566 -4.595 -2.819 1.620 270 HG3 MET 566 HG3 MET 566 -3.956 -4.413 1.970 271 HE1 MET 566 HE1 MET 566 -3.075 -1.880 0.488 272 HE2 MET 566 HE2 MET 566 -1.767 -2.915 -0.134 273 HE3 MET 566 HE3 MET 566 -2.812 -2.023 -1.267 274 H GLN 567 H GLN 567 -8.194 -2.349 -0.561 275 HA GLN 567 HA GLN 567 -10.590 -3.924 -0.086 276 HB2 GLN 567 HB2 GLN 567 -11.077 -1.574 -0.237 277 HB3 GLN 567 HB3 GLN 567 -10.068 -1.374 -1.656 278 HG2 GLN 567 HG2 GLN 567 -11.656 -2.272 -3.097 279 HG3 GLN 567 HG3 GLN 567 -12.294 -3.371 -1.890 280 HE21 GLN 567 HE12 GLN 567 -14.354 -2.639 -2.711 281 HE22 GLN 567 HE22 GLN 567 -15.083 -1.197 -2.087 282 H ASP 568 H ASP 568 -11.154 -5.584 -1.454 283 HA ASP 568 HA ASP 568 -9.453 -6.776 -3.086 284 HB2 ASP 568 HB2 ASP 568 -12.238 -6.927 -2.549 285 HB3 ASP 568 HB3 ASP 568 -12.123 -6.865 -4.296 286 HD2 ASP 568 HD ASP 568 -9.878 -8.695 -2.134 287 H ALA 569 H ALA 569 -9.083 -6.810 -5.450 288 HA ALA 569 HA ALA 569 -9.411 -4.183 -6.628 289 HB1 ALA 569 HB1 ALA 569 -7.630 -4.772 -7.979 290 HB2 ALA 569 HB2 ALA 569 -7.304 -5.815 -6.574 291 HB3 ALA 569 HB3 ALA 569 -8.089 -6.491 -8.021 292 H GLU 570 H GLU 570 -9.249 -5.662 -9.365 293 HA GLU 570 HA GLU 570 -12.075 -6.379 -9.459 294 HB2 GLU 570 HB2 GLU 570 -12.269 -5.252 -11.628 295 HB3 GLU 570 HB3 GLU 570 -11.709 -4.116 -10.417 296 HG2 GLU 570 HG2 GLU 570 -9.347 -4.471 -11.183 297 HG3 GLU 570 HG3 GLU 570 -9.916 -5.594 -12.403 298 HE2 GLU 570 HE GLU 570 -9.656 -2.182 -11.751 299 H ILE 571 H ILE 571 -9.146 -7.693 -9.462 300 HA ILE 571 HA ILE 571 -9.267 -9.134 -11.961 301 HB ILE 571 HB ILE 571 -7.384 -9.260 -9.604 302 HG12 ILE 571 HG11 ILE 571 -7.448 -7.164 -11.056 303 HG13 ILE 571 HG12 ILE 571 -5.895 -7.948 -10.845 304 HG21 ILE 571 HG21 ILE 571 -5.933 -10.614 -11.069 305 HG22 ILE 571 HG22 ILE 571 -7.463 -11.434 -10.674 306 HG23 ILE 571 HG23 ILE 571 -7.242 -10.687 -12.274 307 HD11 ILE 571 HD11 ILE 571 -7.712 -8.522 -13.225 308 HD12 ILE 571 HD12 ILE 571 -6.455 -7.262 -13.241 309 HD13 ILE 571 HD13 ILE 571 -6.000 -8.970 -13.033 310 H SER 572 H SER 572 -8.432 -10.734 -8.898 311 HA SER 572 HA SER 572 -10.835 -11.868 -8.305 312 HB2 SER 572 HB2 SER 572 -9.941 -12.896 -10.764 313 HB3 SER 572 HB3 SER 572 -9.482 -14.132 -9.609 314 HG SER 572 HG SER 572 -12.133 -12.990 -9.881 315 H GLY 573 H GLY 573 -10.006 -11.692 -6.186 316 HA2 GLY 573 HA2 GLY 573 -9.135 -12.866 -4.382 317 HA3 GLY 573 HA3 GLY 573 -8.061 -13.749 -5.449 318 H TYR 574 H TYR 574 -8.077 -10.453 -6.350 319 HA TYR 574 HA TYR 574 -5.556 -10.058 -4.903 320 HB2 TYR 574 HB2 TYR 574 -6.562 -9.723 -7.604 321 HB3 TYR 574 HB3 TYR 574 -6.279 -8.109 -6.984 322 HD1 TYR 574 HD1 TYR 574 -3.920 -7.742 -5.824 323 HD2 TYR 574 HD2 TYR 574 -4.800 -10.877 -8.599 324 HE1 TYR 574 HE1 TYR 574 -1.444 -7.983 -6.348 325 HE2 TYR 574 HE2 TYR 574 -2.321 -11.108 -9.113 326 HH TYR 574 HH TYR 574 0.028 -9.966 -7.206 327 H ALA 575 H ALA 575 -5.060 -7.797 -4.190 328 HA ALA 575 HA ALA 575 -7.534 -6.467 -3.317 329 HB1 ALA 575 HB1 ALA 575 -5.437 -5.681 -1.625 330 HB2 ALA 575 HB2 ALA 575 -6.736 -6.836 -1.244 331 HB3 ALA 575 HB3 ALA 575 -5.180 -7.424 -1.879 332 H LYS 576 H LYS 576 -7.416 -4.093 -3.156 333 HA LYS 576 HA LYS 576 -5.179 -2.828 -4.461 334 HB2 LYS 576 HB2 LYS 576 -6.215 -2.073 -6.376 335 HB3 LYS 576 HB3 LYS 576 -6.855 -3.699 -6.253 336 HG2 LYS 576 HG2 LYS 576 -8.925 -2.855 -5.204 337 HG3 LYS 576 HG3 LYS 576 -8.279 -1.226 -5.163 338 HD2 LYS 576 HD2 LYS 576 -8.175 -2.425 -7.866 339 HD3 LYS 576 HD3 LYS 576 -9.806 -2.331 -7.232 340 HE2 LYS 576 HE2 LYS 576 -8.485 0.154 -6.599 341 HE3 LYS 576 HE3 LYS 576 -8.169 -0.196 -8.287 342 HZ2 LYS 576 HZ2 LYS 576 -10.905 -0.695 -7.555 343 HZ3 LYS 576 HZ3 LYS 576 -10.484 0.861 -7.325 344 H ILE 577 H ILE 577 -4.932 -0.697 -3.789 345 HA ILE 577 HA ILE 577 -7.156 0.498 -2.342 346 HB ILE 577 HB ILE 577 -6.178 0.621 -0.322 347 HG12 ILE 577 HG11 ILE 577 -3.654 0.519 0.014 348 HG13 ILE 577 HG12 ILE 577 -3.500 0.623 -1.729 349 HG21 ILE 577 HG21 ILE 577 -4.773 -1.804 -1.474 350 HG22 ILE 577 HG22 ILE 577 -4.992 -1.456 0.257 351 HG23 ILE 577 HG23 ILE 577 -6.410 -1.753 -0.777 352 HD11 ILE 577 HD11 ILE 577 -3.731 2.788 0.015 353 HD12 ILE 577 HD12 ILE 577 -3.980 2.847 -1.746 354 HD13 ILE 577 HD13 ILE 577 -5.372 2.635 -0.658 355 H THR 578 H THR 578 -6.973 2.829 -2.162 356 HA THR 578 HA THR 578 -4.855 3.960 -3.862 357 HB THR 578 HB THR 578 -7.813 4.753 -3.885 358 HG1 THR 578 HG1 THR 578 -7.792 3.444 -5.824 359 HG21 THR 578 HG21 THR 578 -5.337 5.514 -5.479 360 HG22 THR 578 HG22 THR 578 -6.941 5.558 -6.248 361 HG23 THR 578 HG23 THR 578 -6.607 6.577 -4.827 362 H VAL 579 H VAL 579 -3.882 5.790 -3.128 363 HA VAL 579 HA VAL 579 -5.105 7.046 -0.780 364 HB VAL 579 HB VAL 579 -2.265 6.073 -1.104 365 HG11 VAL 579 HG11 VAL 579 -3.415 8.174 0.708 366 HG12 VAL 579 HG12 VAL 579 -2.113 7.119 1.307 367 HG13 VAL 579 HG13 VAL 579 -1.848 8.129 -0.135 368 HG21 VAL 579 HG21 VAL 579 -4.419 4.750 -0.097 369 HG22 VAL 579 HG22 VAL 579 -2.740 4.479 0.427 370 HG23 VAL 579 HG23 VAL 579 -3.806 5.549 1.370 371 H ASP 580 H ASP 580 -5.432 9.168 -1.177 372 HA ASP 580 HA ASP 580 -4.188 10.313 -3.462 373 HB2 ASP 580 HB2 ASP 580 -5.519 12.285 -1.823 374 HB3 ASP 580 HB3 ASP 580 -6.016 11.651 -3.379 375 HD2 ASP 580 HD ASP 580 -7.806 9.121 -2.300 376 H ILE 581 H ILE 581 -2.300 11.561 -3.408 377 HA ILE 581 HA ILE 581 -1.257 12.231 -0.760 378 HB ILE 581 HB ILE 581 0.894 12.408 -1.856 379 HG12 ILE 581 HG11 ILE 581 -0.689 11.945 -4.387 380 HG13 ILE 581 HG12 ILE 581 0.389 13.273 -4.004 381 HG21 ILE 581 HG21 ILE 581 -0.558 9.848 -2.580 382 HG22 ILE 581 HG22 ILE 581 1.204 10.055 -2.447 383 HG23 ILE 581 HG23 ILE 581 0.176 10.233 -1.005 384 HD11 ILE 581 HD11 ILE 581 2.303 11.609 -3.885 385 HD12 ILE 581 HD12 ILE 581 1.175 10.362 -4.466 386 HD13 ILE 581 HD13 ILE 581 1.565 11.759 -5.498 387 H GLY 582 H GLY 582 -1.574 13.650 -4.093 388 HA2 GLY 582 HA2 GLY 582 -1.874 15.771 -4.767 389 HA3 GLY 582 HA3 GLY 582 -2.723 16.042 -3.258 390 H SER 583 H SER 583 0.266 16.494 -5.041 391 HA SER 583 HA SER 583 1.765 18.091 -4.701 392 HB2 SER 583 HB2 SER 583 0.050 18.998 -2.879 393 HB3 SER 583 HB3 SER 583 1.201 18.326 -1.742 394 HG SER 583 HG SER 583 2.874 19.638 -2.742 395 H ALA 584 H ALA 584 1.797 15.090 -4.158 396 HA ALA 584 HA ALA 584 4.373 15.075 -2.768 397 HB1 ALA 584 HB1 ALA 584 3.611 13.779 -1.096 398 HB2 ALA 584 HB2 ALA 584 1.959 14.084 -1.684 399 HB3 ALA 584 HB3 ALA 584 2.854 12.653 -2.249 400 H SER 585 H SER 585 5.874 13.583 -3.621 401 HA SER 585 HA SER 585 4.929 12.307 -6.067 402 HB2 SER 585 HB2 SER 585 7.205 12.572 -6.958 403 HB3 SER 585 HB3 SER 585 6.565 14.127 -6.465 404 HG SER 585 HG SER 585 7.780 13.944 -4.469 405 H GLN 586 H GLN 586 5.616 11.673 -2.905 406 HA GLN 586 HA GLN 586 6.292 8.960 -3.535 407 HB2 GLN 586 HB2 GLN 586 8.124 10.777 -1.937 408 HB3 GLN 586 HB3 GLN 586 8.112 9.047 -1.656 409 HG2 GLN 586 HG2 GLN 586 8.589 8.657 -4.090 410 HG3 GLN 586 HG3 GLN 586 8.624 10.389 -4.354 411 HE21 GLN 586 HE12 GLN 586 10.570 7.933 -4.251 412 HE22 GLN 586 HE22 GLN 586 11.982 8.562 -3.469 413 H LEU 587 H LEU 587 5.432 7.504 -2.013 414 HA LEU 587 HA LEU 587 4.477 8.606 0.499 415 HB2 LEU 587 HB2 LEU 587 2.517 9.005 -0.593 416 HB3 LEU 587 HB3 LEU 587 2.750 7.707 -1.748 417 HG LEU 587 HG LEU 587 2.275 6.966 1.111 418 HD11 LEU 587 HD11 LEU 587 0.228 8.206 -0.714 419 HD12 LEU 587 HD12 LEU 587 -0.238 7.002 0.512 420 HD13 LEU 587 HD13 LEU 587 0.548 8.520 1.008 421 HD21 LEU 587 HD21 LEU 587 1.045 5.697 -1.319 422 HD22 LEU 587 HD22 LEU 587 2.750 5.394 -0.905 423 HD23 LEU 587 HD23 LEU 587 1.464 4.976 0.253 424 H GLU 588 H GLU 588 4.680 7.154 2.164 425 HA GLU 588 HA GLU 588 5.812 4.612 1.397 426 HB2 GLU 588 HB2 GLU 588 6.218 4.477 3.954 427 HB3 GLU 588 HB3 GLU 588 7.129 5.670 3.050 428 HG2 GLU 588 HG2 GLU 588 4.482 6.618 4.052 429 HG3 GLU 588 HG3 GLU 588 5.643 6.228 5.305 430 HE2 GLU 588 HE GLU 588 6.582 8.394 2.236 431 H ALA 589 H ALA 589 4.932 2.577 2.005 432 HA ALA 589 HA ALA 589 2.350 2.651 3.370 433 HB1 ALA 589 HB1 ALA 589 2.668 0.930 0.921 434 HB2 ALA 589 HB2 ALA 589 1.190 1.600 1.654 435 HB3 ALA 589 HB3 ALA 589 2.278 2.655 0.720 436 H ALA 590 H ALA 590 2.077 0.944 4.783 437 HA ALA 590 HA ALA 590 4.150 -1.139 4.660 438 HB1 ALA 590 HB1 ALA 590 3.067 0.497 6.953 439 HB2 ALA 590 HB2 ALA 590 3.684 -1.146 7.247 440 HB3 ALA 590 HB3 ALA 590 4.753 0.095 6.550 441 H PHE 591 H PHE 591 3.456 -3.253 5.578 442 HA PHE 591 HA PHE 591 0.542 -3.566 5.400 443 HB2 PHE 591 HB2 PHE 591 2.856 -5.333 4.403 444 HB3 PHE 591 HB3 PHE 591 1.180 -5.843 4.375 445 HD1 PHE 591 HD1 PHE 591 3.441 -3.182 3.089 446 HD2 PHE 591 HD2 PHE 591 -0.150 -5.371 2.520 447 HE1 PHE 591 HE1 PHE 591 3.160 -2.133 0.826 448 HE2 PHE 591 HE2 PHE 591 -0.431 -4.322 0.258 449 HZ PHE 591 HZ PHE 591 1.227 -2.715 -0.562 450 H ASN 592 H ASN 592 -0.388 -4.561 7.136 451 HA ASN 592 HA ASN 592 1.212 -6.412 8.643 452 HB2 ASN 592 HB2 ASN 592 0.719 -5.289 10.815 453 HB3 ASN 592 HB3 ASN 592 1.657 -4.237 9.774 454 HD21 ASN 592 HD21 ASN 592 0.714 -2.461 8.787 455 HD22 ASN 592 HD22 ASN 592 -0.794 -1.781 9.301 456 H ASP 593 H ASP 593 -0.167 -7.932 9.794 457 HA ASP 593 HA ASP 593 -2.766 -8.112 8.754 458 HB2 ASP 593 HB2 ASP 593 -1.801 -10.196 9.239 459 HB3 ASP 593 HB3 ASP 593 -1.084 -9.634 10.736 460 HD2 ASP 593 HD ASP 593 -3.728 -10.410 12.698 461 H GLY 594 H GLY 594 -1.309 -6.451 11.429 462 HA2 GLY 594 HA2 GLY 594 -2.431 -4.903 12.748 463 HA3 GLY 594 HA3 GLY 594 -3.945 -5.746 12.486 464 H ASN 595 H ASN 595 -0.993 -7.561 13.285 465 HA ASN 595 HA ASN 595 -1.658 -7.593 16.069 466 HB2 ASN 595 HB2 ASN 595 -2.526 -9.714 14.248 467 HB3 ASN 595 HB3 ASN 595 -1.372 -10.363 15.396 468 HD21 ASN 595 HD21 ASN 595 -1.809 -10.372 17.583 469 HD22 ASN 595 HD22 ASN 595 -3.392 -10.122 18.241 470 H ASN 596 H ASN 596 0.572 -6.601 15.936 471 HA ASN 596 HA ASN 596 2.754 -6.617 15.807 472 HB2 ASN 596 HB2 ASN 596 2.349 -9.421 16.976 473 HB3 ASN 596 HB3 ASN 596 3.858 -8.533 17.045 474 HD21 ASN 596 HD21 ASN 596 2.719 -9.389 19.330 475 HD22 ASN 596 HD22 ASN 596 2.084 -8.076 20.264 476 H ASN 597 H ASN 597 1.316 -7.713 13.399 477 HA ASN 597 HA ASN 597 3.442 -9.463 12.437 478 HB2 ASN 597 HB2 ASN 597 0.470 -9.633 12.215 479 HB3 ASN 597 HB3 ASN 597 1.309 -9.891 10.698 480 HD21 ASN 597 HD21 ASN 597 -0.153 -11.599 12.783 481 HD22 ASN 597 HD22 ASN 597 0.875 -12.972 13.030 482 H TRP 598 H TRP 598 4.504 -7.321 11.855 483 HA TRP 598 HA TRP 598 3.166 -5.958 9.631 484 HB2 TRP 598 HB2 TRP 598 5.383 -5.093 11.491 485 HB3 TRP 598 HB3 TRP 598 4.904 -4.193 10.065 486 HD1 TRP 598 HD TRP 598 3.030 -5.582 13.219 487 HE1 TRP 598 HE1 TRP 598 1.244 -3.834 14.065 488 HE3 TRP 598 HE3 TRP 598 3.877 -2.155 9.559 489 HZ2 TRP 598 HZ2 TRP 598 0.403 -1.272 13.130 490 HZ3 TRP 598 HZ3 TRP 598 2.531 -0.057 9.599 491 HH2 TRP 598 HH TRP 598 0.843 0.411 11.304 492 H ASP 599 H ASP 599 4.465 -5.505 7.689 493 HA ASP 599 HA ASP 599 6.606 -7.466 7.410 494 HB2 ASP 599 HB2 ASP 599 4.323 -6.660 5.663 495 HB3 ASP 599 HB3 ASP 599 5.851 -6.852 4.825 496 HD2 ASP 599 HD ASP 599 3.229 -9.017 5.479 497 H SER 600 H SER 600 6.056 -4.267 7.952 498 HA SER 600 HA SER 600 7.140 -2.823 5.952 499 HB2 SER 600 HB2 SER 600 7.559 -2.434 8.949 500 HB3 SER 600 HB3 SER 600 7.839 -1.201 7.737 501 HG SER 600 HG SER 600 5.289 -2.476 7.743 502 H ASN 601 H ASN 601 9.048 -3.790 8.902 503 HA ASN 601 HA ASN 601 11.008 -5.187 7.880 504 HB2 ASN 601 HB2 ASN 601 11.225 -2.411 6.849 505 HB3 ASN 601 HB3 ASN 601 12.693 -2.952 7.639 506 HD21 ASN 601 HD21 ASN 601 13.105 -2.492 5.172 507 HD22 ASN 601 HD22 ASN 601 13.146 -3.896 4.159 508 H ASN 602 H ASN 602 10.939 -1.843 9.351 509 HA ASN 602 HA ASN 602 11.129 -2.686 11.944 510 HB2 ASN 602 HB2 ASN 602 13.507 -3.353 10.903 511 HB3 ASN 602 HB3 ASN 602 13.854 -1.647 11.103 512 HD21 ASN 602 HD21 ASN 602 14.872 -1.190 12.884 513 HD22 ASN 602 HD22 ASN 602 14.695 -1.952 14.430 514 H THR 603 H THR 603 12.984 -0.298 9.890 515 HA THR 603 HA THR 603 11.239 1.848 10.656 516 HB THR 603 HB THR 603 14.142 1.826 11.640 517 HG1 THR 603 HG1 THR 603 13.130 1.321 13.620 518 HG21 THR 603 HG21 THR 603 11.872 3.830 11.675 519 HG22 THR 603 HG22 THR 603 12.940 3.730 13.096 520 HG23 THR 603 HG23 THR 603 13.619 4.119 11.497 521 H LYS 604 H LYS 604 11.425 0.955 8.179 522 HA LYS 604 HA LYS 604 12.411 3.155 6.782 523 HB2 LYS 604 HB2 LYS 604 14.599 1.998 7.421 524 HB3 LYS 604 HB3 LYS 604 14.131 0.708 6.332 525 HG2 LYS 604 HG2 LYS 604 13.750 3.293 5.028 526 HG3 LYS 604 HG3 LYS 604 15.383 3.177 5.654 527 HD2 LYS 604 HD2 LYS 604 14.324 0.754 4.230 528 HD3 LYS 604 HD3 LYS 604 14.646 2.162 3.238 529 HE2 LYS 604 HE2 LYS 604 16.916 2.057 4.855 530 HE3 LYS 604 HE3 LYS 604 16.552 0.359 4.623 531 HZ2 LYS 604 HZ2 LYS 604 17.632 2.174 2.741 532 HZ3 LYS 604 HZ3 LYS 604 17.448 0.563 2.589 533 H ASN 605 H ASN 605 10.036 2.659 6.429 534 HA ASN 605 HA ASN 605 9.191 0.395 5.160 535 HB2 ASN 605 HB2 ASN 605 8.102 3.183 4.549 536 HB3 ASN 605 HB3 ASN 605 7.210 1.674 4.562 537 HD21 ASN 605 HD21 ASN 605 7.831 4.427 6.224 538 HD22 ASN 605 HD22 ASN 605 7.433 3.950 7.841 539 H TYR 606 H TYR 606 7.889 1.490 2.739 540 HA TYR 606 HA TYR 606 10.262 1.766 1.021 541 HB2 TYR 606 HB2 TYR 606 7.419 0.644 0.614 542 HB3 TYR 606 HB3 TYR 606 8.607 0.735 -0.670 543 HD1 TYR 606 HD1 TYR 606 10.846 -0.545 -0.302 544 HD2 TYR 606 HD2 TYR 606 7.296 -1.266 1.974 545 HE1 TYR 606 HE1 TYR 606 11.724 -2.839 0.355 546 HE2 TYR 606 HE2 TYR 606 8.186 -3.557 2.624 547 HH TYR 606 HH TYR 606 10.653 -5.045 1.043 548 H LEU 607 H LEU 607 9.866 2.988 -1.054 549 HA LEU 607 HA LEU 607 7.997 5.194 -0.529 550 HB2 LEU 607 HB2 LEU 607 10.824 5.143 -1.149 551 HB3 LEU 607 HB3 LEU 607 9.936 6.050 -2.356 552 HG LEU 607 HG LEU 607 9.016 7.523 -0.655 553 HD11 LEU 607 HD11 LEU 607 10.691 6.354 1.520 554 HD12 LEU 607 HD12 LEU 607 9.153 7.247 1.603 555 HD13 LEU 607 HD13 LEU 607 9.165 5.538 1.102 556 HD21 LEU 607 HD21 LEU 607 11.672 7.429 -1.475 557 HD22 LEU 607 HD22 LEU 607 10.825 8.814 -0.745 558 HD23 LEU 607 HD23 LEU 607 11.764 7.704 0.281 559 H PHE 608 H PHE 608 6.320 5.364 -1.914 560 HA PHE 608 HA PHE 608 6.696 4.189 -4.576 561 HB2 PHE 608 HB2 PHE 608 4.150 4.239 -2.854 562 HB3 PHE 608 HB3 PHE 608 4.354 3.373 -4.363 563 HD1 PHE 608 HD1 PHE 608 6.895 1.998 -4.027 564 HD2 PHE 608 HD2 PHE 608 3.800 2.662 -1.201 565 HE1 PHE 608 HE1 PHE 608 7.616 -0.045 -2.759 566 HE2 PHE 608 HE2 PHE 608 4.520 0.619 0.067 567 HZ PHE 608 HZ PHE 608 6.419 -0.710 -0.727 568 H SER 609 H SER 609 5.549 5.229 -6.310 569 HA SER 609 HA SER 609 4.686 7.911 -5.560 570 HB2 SER 609 HB2 SER 609 6.740 7.474 -7.142 571 HB3 SER 609 HB3 SER 609 5.533 7.100 -8.356 572 HG SER 609 HG SER 609 6.426 9.503 -7.759 573 H THR 610 H THR 610 3.024 8.852 -7.251 574 HA THR 610 HA THR 610 0.711 7.331 -7.151 575 HB THR 610 HB THR 610 -0.119 9.107 -8.747 576 HG1 THR 610 HG1 THR 610 1.627 9.570 -10.079 577 HG21 THR 610 HG21 THR 610 -0.145 10.093 -6.613 578 HG22 THR 610 HG22 THR 610 1.593 9.806 -6.353 579 HG23 THR 610 HG23 THR 610 1.059 11.129 -7.418 580 H GLY 611 H GLY 611 -0.646 6.855 -9.252 581 HA2 GLY 611 HA2 GLY 611 -0.612 5.982 -11.442 582 HA3 GLY 611 HA3 GLY 611 1.062 5.509 -11.236 583 H THR 612 H THR 612 0.881 3.291 -11.647 584 HA THR 612 HA THR 612 -0.884 1.817 -9.803 585 HB THR 612 HB THR 612 0.099 1.034 -12.597 586 HG1 THR 612 HG1 THR 612 -2.516 1.884 -11.584 587 HG21 THR 612 HG21 THR 612 -1.964 -0.116 -10.653 588 HG22 THR 612 HG22 THR 612 -1.956 -0.502 -12.390 589 HG23 THR 612 HG23 THR 612 -0.571 -0.960 -11.370 590 H SER 613 H SER 613 -0.016 0.365 -8.429 591 HA SER 613 HA SER 613 2.675 -0.525 -8.997 592 HB2 SER 613 HB2 SER 613 2.452 1.589 -7.351 593 HB3 SER 613 HB3 SER 613 2.092 0.343 -6.173 594 HG SER 613 HG SER 613 4.396 0.887 -6.332 595 H THR 614 H THR 614 3.275 -2.458 -7.632 596 HA THR 614 HA THR 614 0.943 -3.754 -6.411 597 HB THR 614 HB THR 614 2.858 -5.158 -8.334 598 HG1 THR 614 HG1 THR 614 0.295 -3.767 -8.625 599 HG21 THR 614 HG21 THR 614 1.432 -6.591 -6.810 600 HG22 THR 614 HG22 THR 614 -0.011 -5.762 -7.443 601 HG23 THR 614 HG23 THR 614 0.987 -6.763 -8.525 602 H TYR 615 H TYR 615 1.342 -4.732 -4.504 603 HA TYR 615 HA TYR 615 4.181 -4.928 -3.752 604 HB2 TYR 615 HB2 TYR 615 3.069 -3.269 -2.377 605 HB3 TYR 615 HB3 TYR 615 1.559 -4.158 -2.385 606 HD1 TYR 615 HD1 TYR 615 1.284 -6.174 -0.930 607 HD2 TYR 615 HD2 TYR 615 4.759 -3.687 -0.715 608 HE1 TYR 615 HE1 TYR 615 1.868 -7.172 1.334 609 HE2 TYR 615 HE2 TYR 615 5.331 -4.694 1.548 610 HH TYR 615 HH TYR 615 3.116 -6.921 3.141 611 H THR 616 H THR 616 4.918 -6.974 -3.517 612 HA THR 616 HA THR 616 2.922 -9.038 -2.849 613 HB THR 616 HB THR 616 5.490 -9.127 -4.517 614 HG1 THR 616 HG1 THR 616 2.607 -9.512 -4.922 615 HG21 THR 616 HG21 THR 616 4.767 -11.474 -5.032 616 HG22 THR 616 HG22 THR 616 5.191 -11.291 -3.313 617 HG23 THR 616 HG23 THR 616 3.482 -11.332 -3.809 618 HA PRO 617 HA PRO 617 5.265 -9.213 0.824 619 HB2 PRO 617 HB2 PRO 617 3.478 -10.703 2.259 620 HB3 PRO 617 HB3 PRO 617 3.408 -8.955 2.161 621 HG2 PRO 617 HG2 PRO 617 1.696 -10.957 0.819 622 HG3 PRO 617 HG3 PRO 617 1.393 -9.250 1.078 623 HD2 PRO 617 HD2 PRO 617 2.209 -10.496 -1.374 624 HD3 PRO 617 HD3 PRO 617 2.018 -8.778 -1.084 625 H GLY 618 H GLY 618 6.575 -10.688 1.985 626 HA2 GLY 618 HA2 GLY 618 7.142 -13.017 0.357 627 HA3 GLY 618 HA3 GLY 618 8.044 -12.424 1.737 628 H SER 619 H SER 619 8.132 -14.676 2.509 629 HA SER 619 HA SER 619 5.575 -15.714 3.376 630 HB2 SER 619 HB2 SER 619 7.279 -17.155 2.148 631 HB3 SER 619 HB3 SER 619 8.325 -17.021 3.548 632 HG SER 619 HG SER 619 7.234 -18.858 4.018 633 H ASN 620 H ASN 620 6.443 -13.347 4.702 634 HA ASN 620 HA ASN 620 6.607 -12.535 6.707 635 HB2 ASN 620 HB2 ASN 620 5.707 -15.272 7.220 636 HB3 ASN 620 HB3 ASN 620 6.774 -14.755 8.511 637 HD21 ASN 620 HD21 ASN 620 5.878 -13.742 10.126 638 HD22 ASN 620 HD22 ASN 620 4.410 -12.823 10.111 639 H GLY 621 H GLY 621 8.503 -11.755 7.687 640 HA2 GLY 621 HA2 GLY 621 10.541 -11.883 8.739 641 HA3 GLY 621 HA3 GLY 621 10.659 -13.588 8.350 642 H ALA 622 H ALA 622 9.788 -12.795 5.430 643 HA ALA 622 HA ALA 622 12.417 -11.754 4.622 644 HB1 ALA 622 HB1 ALA 622 11.788 -13.290 2.521 645 HB2 ALA 622 HB2 ALA 622 12.634 -13.947 3.943 646 HB3 ALA 622 HB3 ALA 622 10.878 -14.180 3.765 647 H ALA 623 H ALA 623 11.986 -9.670 4.026 648 HA ALA 623 HA ALA 623 9.554 -8.691 3.209 649 HB1 ALA 623 HB1 ALA 623 12.429 -7.854 2.840 650 HB2 ALA 623 HB2 ALA 623 11.129 -6.929 2.052 651 HB3 ALA 623 HB3 ALA 623 11.150 -7.102 3.824 652 H GLY 624 H GLY 624 8.926 -7.860 1.001 653 HA2 GLY 624 HA2 GLY 624 9.662 -9.868 -1.041 654 HA3 GLY 624 HA3 GLY 624 8.098 -9.090 -0.898 655 H THR 625 H THR 625 7.930 -7.951 -2.818 656 HA THR 625 HA THR 625 9.681 -5.668 -3.098 657 HB THR 625 HB THR 625 10.107 -6.380 -5.561 658 HG1 THR 625 HG1 THR 625 8.646 -8.151 -5.672 659 HG21 THR 625 HG21 THR 625 12.026 -7.775 -5.019 660 HG22 THR 625 HG22 THR 625 11.860 -6.606 -3.687 661 HG23 THR 625 HG23 THR 625 11.293 -8.280 -3.478 662 H ILE 626 H ILE 626 8.920 -4.256 -4.982 663 HA ILE 626 HA ILE 626 6.007 -4.560 -5.214 664 HB ILE 626 HB ILE 626 7.196 -1.851 -5.301 665 HG12 ILE 626 HG11 ILE 626 6.802 -2.003 -2.638 666 HG13 ILE 626 HG12 ILE 626 7.391 -3.629 -2.922 667 HG21 ILE 626 HG21 ILE 626 4.821 -2.137 -5.622 668 HG22 ILE 626 HG22 ILE 626 4.685 -3.046 -4.097 669 HG23 ILE 626 HG23 ILE 626 5.113 -1.319 -4.068 670 HD11 ILE 626 HD11 ILE 626 9.480 -2.888 -3.727 671 HD12 ILE 626 HD12 ILE 626 8.853 -1.277 -4.150 672 HD13 ILE 626 HD13 ILE 626 9.121 -1.707 -2.444 673 H ARG 627 H ARG 627 5.257 -4.715 -7.262 674 HA ARG 627 HA ARG 627 7.167 -4.016 -9.337 675 HB2 ARG 627 HB2 ARG 627 5.078 -6.147 -9.038 676 HB3 ARG 627 HB3 ARG 627 5.236 -5.471 -10.647 677 HG2 ARG 627 HG2 ARG 627 7.756 -6.255 -9.180 678 HG3 ARG 627 HG3 ARG 627 6.755 -7.532 -9.841 679 HD2 ARG 627 HD1 ARG 627 7.238 -6.970 -12.032 680 HD3 ARG 627 HD2 ARG 627 7.259 -5.249 -11.702 681 HE ARG 627 HE ARG 627 9.568 -5.397 -11.452 682 HH11 ARG 627 HH22 ARG 627 8.186 -8.582 -10.748 683 HH12 ARG 627 HH21 ARG 627 9.727 -9.337 -10.513 684 HH22 ARG 627 HH1 ARG 627 11.722 -8.030 -10.749 685 H THR 628 H THR 628 6.706 -2.232 -10.597 686 HA THR 628 HA THR 628 4.221 -0.856 -10.194 687 HB THR 628 HB THR 628 5.942 0.113 -12.367 688 HG1 THR 628 HG1 THR 628 7.020 -0.454 -9.695 689 HG21 THR 628 HG21 THR 628 5.313 1.064 -9.526 690 HG22 THR 628 HG22 THR 628 6.324 1.981 -10.668 691 HG23 THR 628 HG23 THR 628 4.608 1.683 -11.038 692 H GLY 629 H GLY 629 2.659 -0.299 -11.798 693 HA2 GLY 629 HA2 GLY 629 1.771 -0.532 -13.973 694 HA3 GLY 629 HA3 GLY 629 2.691 -2.006 -14.196 695 H ALA 630 H ALA 630 -0.320 -1.314 -14.312 696 HA ALA 630 HA ALA 630 -1.620 -2.505 -12.159 697 HB1 ALA 630 HB1 ALA 630 -3.500 -2.113 -13.405 698 HB2 ALA 630 HB2 ALA 630 -2.370 -1.131 -14.368 699 HB3 ALA 630 HB3 ALA 630 -2.784 -2.781 -14.892 700 HA PRO 631 HA PRO 631 -0.411 -6.636 -12.951 701 HB2 PRO 631 HB2 PRO 631 -1.472 -7.739 -10.686 702 HB3 PRO 631 HB3 PRO 631 0.120 -7.008 -10.742 703 HG2 PRO 631 HG2 PRO 631 -2.371 -5.935 -9.568 704 HG3 PRO 631 HG3 PRO 631 -0.716 -5.440 -9.272 705 HD2 PRO 631 HD2 PRO 631 -2.652 -4.076 -10.892 706 HD3 PRO 631 HD3 PRO 631 -0.965 -3.646 -10.688 707 H SER 632 H SER 632 -1.274 -8.662 -13.614 708 HA SER 632 HA SER 632 -4.166 -8.614 -13.736 709 HB2 SER 632 HB2 SER 632 -2.341 -8.297 -16.026 710 HB3 SER 632 HB3 SER 632 -3.422 -9.660 -16.233 711 HG SER 632 HG SER 632 -5.153 -8.346 -16.342 712 H GLY 633 H GLY 633 -3.537 -10.217 -11.937 713 HA2 GLY 633 HA2 GLY 633 -2.540 -12.773 -12.995 714 HA3 GLY 633 HA3 GLY 633 -2.630 -12.294 -11.312 Start of MODEL 9 1 H1 GLY 530 H GLY 530 -10.529 15.418 -1.144 2 HA2 GLY 530 HA2 GLY 530 -10.025 17.661 -0.617 3 HA3 GLY 530 HA3 GLY 530 -8.518 17.156 0.121 4 H GLY 531 H GLY 531 -6.694 16.532 -1.229 5 HA2 GLY 531 HA2 GLY 531 -6.176 18.117 -3.386 6 HA3 GLY 531 HA3 GLY 531 -5.396 16.579 -3.071 7 H THR 532 H THR 532 -7.078 14.591 -3.574 8 HA THR 532 HA THR 532 -7.943 13.387 -5.236 9 HB THR 532 HB THR 532 -9.468 15.921 -5.999 10 HG1 THR 532 HG1 THR 532 -10.731 15.387 -4.098 11 HG21 THR 532 HG21 THR 532 -9.816 12.977 -6.329 12 HG22 THR 532 HG22 THR 532 -11.243 13.816 -5.676 13 HG23 THR 532 HG23 THR 532 -10.560 14.311 -7.243 14 H THR 533 H THR 533 -5.507 15.248 -5.722 15 HA THR 533 HA THR 533 -5.692 15.699 -8.569 16 HB THR 533 HB THR 533 -3.616 16.125 -6.378 17 HG1 THR 533 HG1 THR 533 -4.206 18.295 -6.957 18 HG21 THR 533 HG21 THR 533 -2.123 17.116 -8.012 19 HG22 THR 533 HG22 THR 533 -2.504 15.489 -8.625 20 HG23 THR 533 HG23 THR 533 -3.317 16.912 -9.317 21 H ASN 534 H ASN 534 -2.962 14.108 -6.863 22 HA ASN 534 HA ASN 534 -3.024 12.152 -8.995 23 HB2 ASN 534 HB2 ASN 534 -0.940 13.451 -7.373 24 HB3 ASN 534 HB3 ASN 534 -0.747 11.710 -7.348 25 HD21 ASN 534 HD21 ASN 534 1.147 13.255 -8.493 26 HD22 ASN 534 HD22 ASN 534 1.170 13.069 -10.215 27 H LYS 535 H LYS 535 -2.434 9.808 -8.288 28 HA LYS 535 HA LYS 535 -3.072 9.192 -5.535 29 HB2 LYS 535 HB2 LYS 535 -4.798 8.219 -7.831 30 HB3 LYS 535 HB3 LYS 535 -4.841 7.563 -6.207 31 HG2 LYS 535 HG2 LYS 535 -6.550 9.154 -6.079 32 HG3 LYS 535 HG3 LYS 535 -5.194 10.083 -5.472 33 HD2 LYS 535 HD2 LYS 535 -5.669 11.609 -7.089 34 HD3 LYS 535 HD3 LYS 535 -5.002 10.464 -8.236 35 HE2 LYS 535 HE2 LYS 535 -7.264 9.439 -8.538 36 HE3 LYS 535 HE3 LYS 535 -7.935 10.568 -7.378 37 HZ2 LYS 535 HZ2 LYS 535 -8.056 11.165 -9.868 38 HZ3 LYS 535 HZ3 LYS 535 -7.608 12.350 -8.844 39 H VAL 536 H VAL 536 -2.348 7.071 -4.915 40 HA VAL 536 HA VAL 536 -0.576 5.880 -6.936 41 HB VAL 536 HB VAL 536 0.729 5.112 -4.906 42 HG11 VAL 536 HG11 VAL 536 1.885 6.726 -6.040 43 HG12 VAL 536 HG12 VAL 536 0.549 7.900 -5.961 44 HG13 VAL 536 HG13 VAL 536 1.574 7.620 -4.532 45 HG21 VAL 536 HG21 VAL 536 -1.341 5.858 -3.408 46 HG22 VAL 536 HG22 VAL 536 0.330 5.912 -2.795 47 HG23 VAL 536 HG23 VAL 536 -0.452 7.400 -3.382 48 H THR 537 H THR 537 -1.410 4.008 -7.691 49 HA THR 537 HA THR 537 -3.129 2.467 -5.879 50 HB THR 537 HB THR 537 -2.762 2.480 -8.921 51 HG1 THR 537 HG1 THR 537 -3.894 4.290 -7.757 52 HG21 THR 537 HG21 THR 537 -5.243 1.327 -8.107 53 HG22 THR 537 HG22 THR 537 -3.897 0.497 -8.924 54 HG23 THR 537 HG23 THR 537 -3.988 0.509 -7.147 55 H VAL 538 H VAL 538 -2.436 0.657 -4.934 56 HA VAL 538 HA VAL 538 -0.148 -0.686 -6.193 57 HB VAL 538 HB VAL 538 -0.531 -0.498 -3.215 58 HG11 VAL 538 HG11 VAL 538 2.167 -0.631 -3.781 59 HG12 VAL 538 HG12 VAL 538 1.125 -2.010 -3.356 60 HG13 VAL 538 HG13 VAL 538 1.449 -1.632 -5.065 61 HG21 VAL 538 HG21 VAL 538 -0.403 1.803 -3.906 62 HG22 VAL 538 HG22 VAL 538 1.180 1.336 -3.239 63 HG23 VAL 538 HG23 VAL 538 0.956 1.453 -5.001 64 H TYR 539 H TYR 539 -0.353 -2.889 -6.412 65 HA TYR 539 HA TYR 539 -2.837 -4.021 -5.322 66 HB2 TYR 539 HB2 TYR 539 -1.135 -4.255 -7.820 67 HB3 TYR 539 HB3 TYR 539 -1.892 -5.739 -7.278 68 HD1 TYR 539 HD1 TYR 539 -3.189 -2.221 -7.245 69 HD2 TYR 539 HD2 TYR 539 -3.613 -6.189 -8.788 70 HE1 TYR 539 HE1 TYR 539 -5.350 -1.548 -8.404 71 HE2 TYR 539 HE2 TYR 539 -5.772 -5.502 -9.941 72 HH TYR 539 HH TYR 539 -7.462 -3.878 -9.773 73 H TYR 540 H TYR 540 -2.583 -5.359 -3.610 74 HA TYR 540 HA TYR 540 0.002 -6.738 -3.372 75 HB2 TYR 540 HB2 TYR 540 -0.645 -5.162 -1.535 76 HB3 TYR 540 HB3 TYR 540 -2.236 -5.889 -1.434 77 HD1 TYR 540 HD2 TYR 540 -2.444 -8.279 -0.587 78 HD2 TYR 540 HD1 TYR 540 1.187 -6.036 -0.298 79 HE1 TYR 540 HE2 TYR 540 -1.594 -9.872 1.202 80 HE2 TYR 540 HE1 TYR 540 2.025 -7.637 1.490 81 HH TYR 540 HH TYR 540 1.423 -9.231 2.901 82 H LYS 541 H LYS 541 0.083 -8.970 -3.150 83 HA LYS 541 HA LYS 541 -2.389 -10.336 -3.808 84 HB2 LYS 541 HB2 LYS 541 -0.571 -10.965 -5.176 85 HB3 LYS 541 HB3 LYS 541 0.528 -11.106 -3.820 86 HG2 LYS 541 HG2 LYS 541 -0.762 -13.050 -2.950 87 HG3 LYS 541 HG3 LYS 541 -1.909 -12.894 -4.266 88 HD2 LYS 541 HD2 LYS 541 0.401 -13.022 -5.714 89 HD3 LYS 541 HD3 LYS 541 0.903 -13.938 -4.307 90 HE2 LYS 541 HE2 LYS 541 -0.236 -15.745 -5.066 91 HE3 LYS 541 HE3 LYS 541 -1.737 -14.844 -4.983 92 HZ2 LYS 541 HZ2 LYS 541 -1.747 -14.694 -7.212 93 HZ3 LYS 541 HZ3 LYS 541 -0.255 -14.043 -7.268 94 H LYS 542 H LYS 542 -3.662 -11.298 -2.320 95 HA LYS 542 HA LYS 542 -2.666 -11.418 0.398 96 HB2 LYS 542 HB2 LYS 542 -4.848 -10.420 0.007 97 HB3 LYS 542 HB3 LYS 542 -5.416 -11.869 -0.797 98 HG2 LYS 542 HG2 LYS 542 -4.706 -13.068 1.470 99 HG3 LYS 542 HG3 LYS 542 -4.805 -11.451 2.140 100 HD2 LYS 542 HD2 LYS 542 -7.000 -13.187 1.026 101 HD3 LYS 542 HD3 LYS 542 -6.998 -12.195 2.471 102 HE2 LYS 542 HE2 LYS 542 -6.776 -10.193 0.691 103 HE3 LYS 542 HE3 LYS 542 -7.482 -11.374 -0.395 104 HZ2 LYS 542 HZ2 LYS 542 -9.451 -11.345 0.756 105 HZ3 LYS 542 HZ3 LYS 542 -8.771 -11.074 2.210 106 H GLY 543 H GLY 543 -2.296 -14.825 0.931 107 HA2 GLY 543 HA2 GLY 543 -1.216 -12.575 1.784 108 HA3 GLY 543 HA3 GLY 543 -2.908 -12.132 1.884 109 H PHE 544 H PHE 544 -3.743 -12.378 3.904 110 HA PHE 544 HA PHE 544 -2.936 -14.778 5.379 111 HB2 PHE 544 HB2 PHE 544 -2.758 -11.845 6.001 112 HB3 PHE 544 HB3 PHE 544 -3.462 -12.798 7.292 113 HD1 PHE 544 HD2 PHE 544 -0.474 -12.642 5.079 114 HD2 PHE 544 HD1 PHE 544 -2.082 -13.930 8.789 115 HE1 PHE 544 HE2 PHE 544 1.822 -13.303 5.846 116 HE2 PHE 544 HE1 PHE 544 0.215 -14.591 9.556 117 HZ PHE 544 HZ PHE 544 2.140 -14.269 8.075 118 H ASN 545 H ASN 545 -5.007 -12.056 6.459 119 HA ASN 545 HA ASN 545 -7.353 -13.614 5.863 120 HB2 ASN 545 HB2 ASN 545 -7.174 -12.525 8.673 121 HB3 ASN 545 HB3 ASN 545 -8.080 -13.904 8.082 122 HD21 ASN 545 HD21 ASN 545 -6.878 -15.814 7.415 123 HD22 ASN 545 HD22 ASN 545 -5.421 -16.250 8.244 124 H SER 546 H SER 546 -6.044 -11.018 5.030 125 HA SER 546 HA SER 546 -6.912 -9.106 4.345 126 HB2 SER 546 HB2 SER 546 -9.083 -8.957 6.419 127 HB3 SER 546 HB3 SER 546 -9.107 -8.432 4.747 128 HG SER 546 HG SER 546 -8.954 -10.864 4.261 129 HA PRO 547 HA PRO 547 -4.832 -7.555 8.096 130 HB2 PRO 547 HB2 PRO 547 -2.414 -6.950 6.973 131 HB3 PRO 547 HB3 PRO 547 -2.739 -8.465 7.791 132 HG2 PRO 547 HG2 PRO 547 -2.516 -7.935 4.891 133 HG3 PRO 547 HG3 PRO 547 -2.413 -9.465 5.738 134 HD2 PRO 547 HD2 PRO 547 -4.649 -8.483 4.233 135 HD3 PRO 547 HD3 PRO 547 -4.587 -9.959 5.176 136 H TYR 548 H TYR 548 -3.697 -5.366 8.514 137 HA TYR 548 HA TYR 548 -5.138 -3.480 6.783 138 HB2 TYR 548 HB2 TYR 548 -4.449 -3.818 9.690 139 HB3 TYR 548 HB3 TYR 548 -4.227 -2.181 9.107 140 HD1 TYR 548 HD2 TYR 548 -6.152 -0.848 8.326 141 HD2 TYR 548 HD1 TYR 548 -6.668 -4.794 9.897 142 HE1 TYR 548 HE2 TYR 548 -8.642 -0.418 8.608 143 HE2 TYR 548 HE1 TYR 548 -9.156 -4.351 10.173 144 HH TYR 548 HH TYR 548 -10.822 -3.000 9.543 145 H ILE 549 H ILE 549 -4.072 -1.677 5.901 146 HA ILE 549 HA ILE 549 -1.149 -1.761 6.195 147 HB ILE 549 HB ILE 549 -2.784 -1.008 3.769 148 HG12 ILE 549 HG11 ILE 549 -1.364 -3.526 4.583 149 HG13 ILE 549 HG12 ILE 549 -2.947 -3.324 3.858 150 HG21 ILE 549 HG21 ILE 549 -0.419 0.078 4.360 151 HG22 ILE 549 HG22 ILE 549 0.158 -1.443 3.638 152 HG23 ILE 549 HG23 ILE 549 -0.891 -0.354 2.699 153 HD11 ILE 549 HD11 ILE 549 -1.754 -2.447 1.758 154 HD12 ILE 549 HD12 ILE 549 -0.238 -3.001 2.506 155 HD13 ILE 549 HD13 ILE 549 -1.520 -4.174 2.120 156 H HIS 550 H HIS 550 -0.045 0.225 6.425 157 HA HIS 550 HA HIS 550 -1.797 2.545 6.743 158 HB2 HIS 550 HB2 HIS 550 -1.150 1.396 8.936 159 HB3 HIS 550 HB3 HIS 550 0.490 1.926 8.620 160 HD1 HIS 550 HD1 HIS 550 -1.807 4.474 7.402 161 HD2 HIS 550 HE2 HIS 550 -0.156 3.442 11.117 162 HE1 HIS 550 HE1 HIS 550 -2.097 6.516 8.904 163 H TYR 551 H TYR 551 -1.180 4.108 5.345 164 HA TYR 551 HA TYR 551 1.695 4.297 4.752 165 HB2 TYR 551 HB2 TYR 551 0.391 5.264 2.513 166 HB3 TYR 551 HB3 TYR 551 0.879 3.588 2.664 167 HD1 TYR 551 HD2 TYR 551 -1.997 5.891 3.280 168 HD2 TYR 551 HD1 TYR 551 -0.724 1.863 2.603 169 HE1 TYR 551 HE2 TYR 551 -4.420 5.157 3.046 170 HE2 TYR 551 HE1 TYR 551 -3.151 1.142 2.370 171 HH TYR 551 HH TYR 551 -5.403 2.624 1.608 172 H ARG 552 H ARG 552 2.368 6.493 3.986 173 HA ARG 552 HA ARG 552 0.515 8.556 4.794 174 HB2 ARG 552 HB2 ARG 552 1.677 9.041 6.690 175 HB3 ARG 552 HB3 ARG 552 2.809 7.748 6.348 176 HG2 ARG 552 HG2 ARG 552 4.139 9.269 4.894 177 HG3 ARG 552 HG3 ARG 552 2.990 10.563 5.173 178 HD2 ARG 552 HD2 ARG 552 4.213 11.162 6.992 179 HD3 ARG 552 HD3 ARG 552 3.679 9.686 7.771 180 HE ARG 552 HE ARG 552 5.822 8.942 6.092 181 HH11 ARG 552 HH22 ARG 552 5.343 11.055 8.896 182 HH12 ARG 552 HH21 ARG 552 6.968 10.873 9.467 183 HH22 ARG 552 HH1 ARG 552 8.493 9.484 8.246 184 HA PRO 553 HA PRO 553 2.301 10.527 1.338 185 HB2 PRO 553 HB2 PRO 553 1.713 13.153 1.811 186 HB3 PRO 553 HB3 PRO 553 0.550 12.012 1.168 187 HG2 PRO 553 HG2 PRO 553 0.736 13.128 3.899 188 HG3 PRO 553 HG3 PRO 553 -0.626 12.342 3.125 189 HD2 PRO 553 HD2 PRO 553 1.133 11.196 5.079 190 HD3 PRO 553 HD3 PRO 553 -0.156 10.376 4.220 191 H ALA 554 H ALA 554 4.071 11.670 0.441 192 HA ALA 554 HA ALA 554 6.404 11.431 1.597 193 HB1 ALA 554 HB1 ALA 554 5.421 13.872 0.066 194 HB2 ALA 554 HB2 ALA 554 7.135 13.484 0.351 195 HB3 ALA 554 HB3 ALA 554 6.124 12.387 -0.620 196 H GLY 555 H GLY 555 4.814 14.685 1.877 197 HA2 GLY 555 HA2 GLY 555 5.803 14.787 4.664 198 HA3 GLY 555 HA3 GLY 555 5.947 16.134 3.553 199 H GLY 556 H GLY 556 3.669 14.097 5.410 200 HA2 GLY 556 HA2 GLY 556 1.773 16.329 5.421 201 HA3 GLY 556 HA3 GLY 556 1.211 14.785 4.810 202 H SER 557 H SER 557 0.987 12.963 6.233 203 HA SER 557 HA SER 557 1.847 13.110 8.895 204 HB2 SER 557 HB2 SER 557 0.024 14.709 9.176 205 HB3 SER 557 HB3 SER 557 -1.103 13.650 8.352 206 HG SER 557 HG SER 557 -1.551 13.104 10.404 207 H TRP 558 H TRP 558 0.375 11.263 10.194 208 HA TRP 558 HA TRP 558 0.350 9.004 8.322 209 HB2 TRP 558 HB2 TRP 558 1.081 9.312 11.199 210 HB3 TRP 558 HB3 TRP 558 0.402 7.785 10.674 211 HD1 TRP 558 HD TRP 558 3.628 9.766 10.557 212 HE1 TRP 558 HE1 TRP 558 5.569 8.443 9.353 213 HE3 TRP 558 HE3 TRP 558 0.670 6.069 8.703 214 HZ2 TRP 558 HZ2 TRP 558 5.647 6.053 7.797 215 HZ3 TRP 558 HZ3 TRP 558 1.758 4.279 7.352 216 HH2 TRP 558 HH TRP 558 4.157 4.232 6.889 217 H THR 559 H THR 559 -1.688 8.491 7.644 218 HA THR 559 HA THR 559 -4.025 9.504 8.619 219 HB THR 559 HB THR 559 -3.535 6.753 7.360 220 HG1 THR 559 HG1 THR 559 -2.658 8.296 5.962 221 HG21 THR 559 HG21 THR 559 -5.934 8.625 7.551 222 HG22 THR 559 HG22 THR 559 -5.758 7.492 6.190 223 HG23 THR 559 HG23 THR 559 -5.879 6.871 7.854 224 H ALA 560 H ALA 560 -5.901 8.063 9.552 225 HA ALA 560 HA ALA 560 -5.181 7.565 12.224 226 HB1 ALA 560 HB1 ALA 560 -7.601 7.492 10.510 227 HB2 ALA 560 HB2 ALA 560 -7.641 6.398 11.914 228 HB3 ALA 560 HB3 ALA 560 -7.380 8.143 12.151 229 H ALA 561 H ALA 561 -3.864 5.902 12.809 230 HA ALA 561 HA ALA 561 -3.704 3.525 11.264 231 HB1 ALA 561 HB1 ALA 561 -2.578 4.487 13.907 232 HB2 ALA 561 HB2 ALA 561 -2.309 2.823 13.334 233 HB3 ALA 561 HB3 ALA 561 -1.729 4.201 12.369 234 HA PRO 562 HA PRO 562 -3.520 1.685 11.206 235 HB2 PRO 562 HB2 PRO 562 -4.909 -0.317 9.968 236 HB3 PRO 562 HB3 PRO 562 -3.838 -0.592 11.328 237 HG2 PRO 562 HG2 PRO 562 -6.793 -0.563 11.272 238 HG3 PRO 562 HG3 PRO 562 -5.725 -1.240 12.485 239 HD2 PRO 562 HD2 PRO 562 -7.188 1.220 12.668 240 HD3 PRO 562 HD3 PRO 562 -6.031 0.600 13.829 241 H GLY 563 H GLY 563 -3.139 2.233 9.058 242 HA2 GLY 563 HA2 GLY 563 -4.465 4.320 8.013 243 HA3 GLY 563 HA3 GLY 563 -3.679 3.097 7.034 244 H VAL 564 H VAL 564 -4.906 1.597 5.854 245 HA VAL 564 HA VAL 564 -7.790 1.618 6.334 246 HB VAL 564 HB VAL 564 -6.777 1.702 3.526 247 HG11 VAL 564 HG11 VAL 564 -9.089 3.255 3.840 248 HG12 VAL 564 HG12 VAL 564 -8.985 1.597 3.201 249 HG13 VAL 564 HG13 VAL 564 -9.317 1.866 4.929 250 HG21 VAL 564 HG21 VAL 564 -7.213 4.187 5.218 251 HG22 VAL 564 HG22 VAL 564 -5.641 3.595 4.631 252 HG23 VAL 564 HG23 VAL 564 -6.875 4.143 3.471 253 H LYS 565 H LYS 565 -8.880 -0.289 5.353 254 HA LYS 565 HA LYS 565 -7.124 -2.576 5.570 255 HB2 LYS 565 HB2 LYS 565 -9.380 -2.347 6.725 256 HB3 LYS 565 HB3 LYS 565 -10.121 -2.548 5.150 257 HG2 LYS 565 HG2 LYS 565 -8.023 -4.566 5.817 258 HG3 LYS 565 HG3 LYS 565 -9.454 -4.630 6.826 259 HD2 LYS 565 HD2 LYS 565 -10.087 -4.309 3.951 260 HD3 LYS 565 HD3 LYS 565 -9.194 -5.778 4.291 261 HE2 LYS 565 HE2 LYS 565 -11.125 -6.728 5.008 262 HE3 LYS 565 HE3 LYS 565 -11.129 -5.614 6.361 263 HZ2 LYS 565 HZ2 LYS 565 -12.361 -5.091 3.708 264 HZ3 LYS 565 HZ3 LYS 565 -13.169 -5.384 5.091 265 H MET 566 H MET 566 -6.154 -3.503 3.855 266 HA MET 566 HA MET 566 -6.013 -2.695 1.415 267 HB2 MET 566 HB2 MET 566 -6.331 -5.557 2.429 268 HB3 MET 566 HB3 MET 566 -5.970 -5.257 0.741 269 HG2 MET 566 HG2 MET 566 -4.168 -3.616 2.247 270 HG3 MET 566 HG3 MET 566 -4.168 -5.187 3.024 271 HE1 MET 566 HE1 MET 566 -2.378 -3.986 -0.924 272 HE2 MET 566 HE2 MET 566 -4.137 -3.730 -0.826 273 HE3 MET 566 HE3 MET 566 -3.062 -2.994 0.387 274 H GLN 567 H GLN 567 -7.375 -2.089 -0.208 275 HA GLN 567 HA GLN 567 -10.082 -3.030 -0.085 276 HB2 GLN 567 HB2 GLN 567 -8.760 -0.660 -0.985 277 HB3 GLN 567 HB3 GLN 567 -9.535 -1.359 -2.392 278 HG2 GLN 567 HG2 GLN 567 -11.225 -1.389 0.057 279 HG3 GLN 567 HG3 GLN 567 -10.807 0.219 -0.501 280 HE21 GLN 567 HE12 GLN 567 -13.312 -0.136 -0.634 281 HE22 GLN 567 HE22 GLN 567 -13.924 -0.521 -2.208 282 H ASP 568 H ASP 568 -10.490 -5.023 -0.960 283 HA ASP 568 HA ASP 568 -8.993 -6.490 -2.540 284 HB2 ASP 568 HB2 ASP 568 -10.872 -7.803 -2.879 285 HB3 ASP 568 HB3 ASP 568 -11.493 -6.759 -1.615 286 HD2 ASP 568 HD ASP 568 -13.535 -7.579 -4.274 287 H ALA 569 H ALA 569 -8.639 -6.772 -4.847 288 HA ALA 569 HA ALA 569 -9.147 -4.361 -6.386 289 HB1 ALA 569 HB1 ALA 569 -7.340 -5.018 -7.681 290 HB2 ALA 569 HB2 ALA 569 -6.913 -5.774 -6.127 291 HB3 ALA 569 HB3 ALA 569 -7.646 -6.752 -7.421 292 H GLU 570 H GLU 570 -8.969 -5.953 -8.946 293 HA GLU 570 HA GLU 570 -11.683 -7.022 -8.859 294 HB2 GLU 570 HB2 GLU 570 -12.094 -6.116 -11.062 295 HB3 GLU 570 HB3 GLU 570 -11.467 -4.817 -10.066 296 HG2 GLU 570 HG2 GLU 570 -9.811 -4.491 -11.577 297 HG3 GLU 570 HG3 GLU 570 -9.177 -6.080 -11.198 298 HE2 GLU 570 HE GLU 570 -9.973 -7.853 -12.803 299 H ILE 571 H ILE 571 -8.533 -7.917 -8.964 300 HA ILE 571 HA ILE 571 -8.601 -9.662 -11.238 301 HB ILE 571 HB ILE 571 -6.673 -8.915 -9.108 302 HG12 ILE 571 HG11 ILE 571 -6.354 -9.344 -12.092 303 HG13 ILE 571 HG12 ILE 571 -6.790 -7.817 -11.352 304 HG21 ILE 571 HG21 ILE 571 -6.432 -11.495 -10.680 305 HG22 ILE 571 HG22 ILE 571 -5.171 -10.766 -9.656 306 HG23 ILE 571 HG23 ILE 571 -6.684 -11.352 -8.924 307 HD11 ILE 571 HD11 ILE 571 -4.524 -8.730 -9.900 308 HD12 ILE 571 HD12 ILE 571 -4.161 -9.031 -11.616 309 HD13 ILE 571 HD13 ILE 571 -4.585 -7.391 -11.071 310 H SER 572 H SER 572 -9.611 -9.728 -7.883 311 HA SER 572 HA SER 572 -10.954 -11.239 -6.968 312 HB2 SER 572 HB2 SER 572 -11.185 -12.235 -9.401 313 HB3 SER 572 HB3 SER 572 -10.053 -13.448 -8.836 314 HG SER 572 HG SER 572 -12.032 -14.317 -8.343 315 H GLY 573 H GLY 573 -9.983 -11.554 -4.992 316 HA2 GLY 573 HA2 GLY 573 -8.868 -12.886 -3.473 317 HA3 GLY 573 HA3 GLY 573 -7.986 -13.667 -4.771 318 H TYR 574 H TYR 574 -7.883 -10.415 -5.538 319 HA TYR 574 HA TYR 574 -5.300 -10.124 -4.166 320 HB2 TYR 574 HB2 TYR 574 -6.470 -9.635 -6.867 321 HB3 TYR 574 HB3 TYR 574 -5.628 -8.222 -6.261 322 HD1 TYR 574 HD2 TYR 574 -5.187 -11.861 -6.957 323 HD2 TYR 574 HD1 TYR 574 -3.272 -8.083 -6.362 324 HE1 TYR 574 HE2 TYR 574 -2.967 -12.864 -7.685 325 HE2 TYR 574 HE1 TYR 574 -1.058 -9.098 -7.092 326 HH TYR 574 HH TYR 574 -0.063 -11.435 -7.086 327 H ALA 575 H ALA 575 -4.668 -7.850 -3.598 328 HA ALA 575 HA ALA 575 -7.056 -6.344 -2.773 329 HB1 ALA 575 HB1 ALA 575 -5.184 -5.475 -1.056 330 HB2 ALA 575 HB2 ALA 575 -6.148 -6.938 -0.743 331 HB3 ALA 575 HB3 ALA 575 -4.500 -7.082 -1.398 332 H LYS 576 H LYS 576 -6.806 -3.967 -2.746 333 HA LYS 576 HA LYS 576 -4.546 -2.887 -4.159 334 HB2 LYS 576 HB2 LYS 576 -5.602 -2.158 -6.100 335 HB3 LYS 576 HB3 LYS 576 -6.187 -3.800 -5.916 336 HG2 LYS 576 HG2 LYS 576 -8.306 -3.037 -4.997 337 HG3 LYS 576 HG3 LYS 576 -7.717 -1.395 -4.833 338 HD2 LYS 576 HD2 LYS 576 -7.427 -2.350 -7.596 339 HD3 LYS 576 HD3 LYS 576 -9.087 -2.489 -7.053 340 HE2 LYS 576 HE2 LYS 576 -8.366 0.027 -6.087 341 HE3 LYS 576 HE3 LYS 576 -7.481 -0.054 -7.597 342 HZ2 LYS 576 HZ2 LYS 576 -10.316 0.156 -7.199 343 HZ3 LYS 576 HZ3 LYS 576 -9.444 0.503 -8.529 344 H ILE 577 H ILE 577 -4.132 -0.830 -3.455 345 HA ILE 577 HA ILE 577 -6.324 0.532 -2.065 346 HB ILE 577 HB ILE 577 -5.265 0.642 -0.123 347 HG12 ILE 577 HG11 ILE 577 -3.665 2.282 -0.877 348 HG13 ILE 577 HG12 ILE 577 -2.862 1.122 0.163 349 HG21 ILE 577 HG21 ILE 577 -3.307 -1.409 -1.153 350 HG22 ILE 577 HG22 ILE 577 -4.019 -1.255 0.471 351 HG23 ILE 577 HG23 ILE 577 -5.029 -1.782 -0.896 352 HD11 ILE 577 HD11 ILE 577 -2.757 0.166 -2.578 353 HD12 ILE 577 HD12 ILE 577 -2.153 1.839 -2.499 354 HD13 ILE 577 HD13 ILE 577 -1.413 0.575 -1.486 355 H THR 578 H THR 578 -6.274 2.831 -2.192 356 HA THR 578 HA THR 578 -4.246 3.886 -4.046 357 HB THR 578 HB THR 578 -7.183 4.709 -4.057 358 HG1 THR 578 HG1 THR 578 -5.694 2.662 -5.548 359 HG21 THR 578 HG21 THR 578 -4.759 5.065 -5.819 360 HG22 THR 578 HG22 THR 578 -6.332 4.842 -6.621 361 HG23 THR 578 HG23 THR 578 -6.091 6.200 -5.495 362 H VAL 579 H VAL 579 -3.273 5.752 -3.460 363 HA VAL 579 HA VAL 579 -4.499 7.202 -1.224 364 HB VAL 579 HB VAL 579 -1.568 6.522 -1.532 365 HG11 VAL 579 HG11 VAL 579 -1.107 7.968 0.125 366 HG12 VAL 579 HG12 VAL 579 -2.698 8.681 -0.233 367 HG13 VAL 579 HG13 VAL 579 -2.534 7.480 1.071 368 HG21 VAL 579 HG21 VAL 579 -2.782 5.507 0.880 369 HG22 VAL 579 HG22 VAL 579 -3.671 4.911 -0.543 370 HG23 VAL 579 HG23 VAL 579 -1.918 4.630 -0.406 371 H ASP 580 H ASP 580 -4.631 9.384 -1.540 372 HA ASP 580 HA ASP 580 -3.813 10.336 -4.081 373 HB2 ASP 580 HB2 ASP 580 -5.898 11.155 -3.168 374 HB3 ASP 580 HB3 ASP 580 -5.141 11.603 -1.652 375 HD2 ASP 580 HD ASP 580 -4.437 14.169 -1.823 376 H ILE 581 H ILE 581 -2.298 12.172 -4.409 377 HA ILE 581 HA ILE 581 -0.744 13.046 -2.149 378 HB ILE 581 HB ILE 581 1.394 12.332 -3.061 379 HG12 ILE 581 HG11 ILE 581 -0.153 10.649 -5.049 380 HG13 ILE 581 HG12 ILE 581 0.589 12.185 -5.450 381 HG21 ILE 581 HG21 ILE 581 1.267 9.987 -2.436 382 HG22 ILE 581 HG22 ILE 581 0.263 10.977 -1.348 383 HG23 ILE 581 HG23 ILE 581 -0.502 10.008 -2.630 384 HD11 ILE 581 HD11 ILE 581 2.689 10.921 -4.190 385 HD12 ILE 581 HD12 ILE 581 1.857 9.545 -4.953 386 HD13 ILE 581 HD13 ILE 581 2.420 10.908 -5.949 387 H GLY 582 H GLY 582 -2.525 14.535 -3.574 388 HA2 GLY 582 HA2 GLY 582 -1.729 15.705 -5.941 389 HA3 GLY 582 HA3 GLY 582 -2.677 16.481 -4.688 390 H SER 583 H SER 583 -0.371 16.036 -2.682 391 HA SER 583 HA SER 583 1.424 18.048 -3.786 392 HB2 SER 583 HB2 SER 583 -0.193 18.102 -1.279 393 HB3 SER 583 HB3 SER 583 1.473 18.617 -1.099 394 HG SER 583 HG SER 583 -0.208 20.297 -1.710 395 H ALA 584 H ALA 584 1.977 15.320 -3.979 396 HA ALA 584 HA ALA 584 4.347 15.150 -2.385 397 HB1 ALA 584 HB1 ALA 584 3.091 12.640 -1.915 398 HB2 ALA 584 HB2 ALA 584 3.542 13.878 -0.719 399 HB3 ALA 584 HB3 ALA 584 1.920 13.897 -1.451 400 H SER 585 H SER 585 5.884 13.804 -3.378 401 HA SER 585 HA SER 585 4.955 12.716 -5.914 402 HB2 SER 585 HB2 SER 585 7.156 14.406 -5.238 403 HB3 SER 585 HB3 SER 585 7.850 12.863 -5.692 404 HG SER 585 HG SER 585 5.811 14.092 -7.314 405 H GLN 586 H GLN 586 5.715 11.826 -2.767 406 HA GLN 586 HA GLN 586 6.278 9.136 -3.660 407 HB2 GLN 586 HB2 GLN 586 8.097 10.830 -1.974 408 HB3 GLN 586 HB3 GLN 586 7.928 9.146 -1.518 409 HG2 GLN 586 HG2 GLN 586 8.541 8.443 -3.831 410 HG3 GLN 586 HG3 GLN 586 8.672 10.121 -4.318 411 HE21 GLN 586 HE12 GLN 586 10.505 7.643 -3.824 412 HE22 GLN 586 HE22 GLN 586 11.898 8.307 -3.038 413 H LEU 587 H LEU 587 5.317 7.545 -2.345 414 HA LEU 587 HA LEU 587 4.019 8.542 0.088 415 HB2 LEU 587 HB2 LEU 587 2.225 8.536 -1.354 416 HB3 LEU 587 HB3 LEU 587 2.811 7.162 -2.269 417 HG LEU 587 HG LEU 587 0.807 6.609 -0.988 418 HD11 LEU 587 HD11 LEU 587 1.491 4.507 -0.612 419 HD12 LEU 587 HD12 LEU 587 3.058 5.085 -1.225 420 HD13 LEU 587 HD13 LEU 587 2.762 5.011 0.528 421 HD21 LEU 587 HD21 LEU 587 1.818 8.231 0.975 422 HD22 LEU 587 HD22 LEU 587 0.451 7.107 1.165 423 HD23 LEU 587 HD23 LEU 587 2.088 6.609 1.655 424 H GLU 588 H GLU 588 3.922 7.062 1.819 425 HA GLU 588 HA GLU 588 5.483 4.647 1.322 426 HB2 GLU 588 HB2 GLU 588 5.983 4.888 3.884 427 HB3 GLU 588 HB3 GLU 588 6.857 5.897 2.748 428 HG2 GLU 588 HG2 GLU 588 4.247 6.967 3.795 429 HG3 GLU 588 HG3 GLU 588 5.590 6.910 4.919 430 HE2 GLU 588 HE GLU 588 4.966 9.530 2.273 431 H ALA 589 H ALA 589 4.763 2.676 2.285 432 HA ALA 589 HA ALA 589 2.249 2.819 3.764 433 HB1 ALA 589 HB1 ALA 589 2.651 0.939 1.412 434 HB2 ALA 589 HB2 ALA 589 1.154 1.259 2.320 435 HB3 ALA 589 HB3 ALA 589 1.838 2.515 1.260 436 H ALA 590 H ALA 590 1.881 0.948 5.115 437 HA ALA 590 HA ALA 590 4.183 -0.860 5.290 438 HB1 ALA 590 HB1 ALA 590 4.711 0.528 7.070 439 HB2 ALA 590 HB2 ALA 590 3.011 0.953 7.384 440 HB3 ALA 590 HB3 ALA 590 3.638 -0.638 7.880 441 H PHE 591 H PHE 591 3.621 -2.886 6.543 442 HA PHE 591 HA PHE 591 0.782 -3.502 6.115 443 HB2 PHE 591 HB2 PHE 591 3.385 -5.129 5.952 444 HB3 PHE 591 HB3 PHE 591 1.810 -5.898 5.923 445 HD1 PHE 591 HD1 PHE 591 0.259 -5.448 4.016 446 HD2 PHE 591 HD2 PHE 591 4.279 -4.088 4.010 447 HE1 PHE 591 HE1 PHE 591 0.146 -5.122 1.529 448 HE2 PHE 591 HE2 PHE 591 4.165 -3.762 1.524 449 HZ PHE 591 HZ PHE 591 2.100 -4.283 0.314 450 H ASN 592 H ASN 592 -0.362 -4.579 7.748 451 HA ASN 592 HA ASN 592 1.071 -5.590 9.990 452 HB2 ASN 592 HB2 ASN 592 -0.076 -4.128 11.663 453 HB3 ASN 592 HB3 ASN 592 0.949 -3.184 10.600 454 HD21 ASN 592 HD21 ASN 592 0.098 -1.724 9.211 455 HD22 ASN 592 HD22 ASN 592 -1.575 -1.277 9.149 456 H ASP 593 H ASP 593 -0.216 -7.224 10.972 457 HA ASP 593 HA ASP 593 -2.670 -7.790 9.652 458 HB2 ASP 593 HB2 ASP 593 -1.443 -9.732 10.154 459 HB3 ASP 593 HB3 ASP 593 -0.921 -9.126 11.713 460 HD2 ASP 593 HD ASP 593 -2.199 -11.034 13.167 461 H GLY 594 H GLY 594 -1.631 -5.956 12.382 462 HA2 GLY 594 HA2 GLY 594 -3.029 -4.627 13.666 463 HA3 GLY 594 HA3 GLY 594 -4.384 -5.683 13.323 464 H ASN 595 H ASN 595 -1.410 -7.326 14.135 465 HA ASN 595 HA ASN 595 -2.286 -7.520 16.901 466 HB2 ASN 595 HB2 ASN 595 -1.722 -9.757 14.921 467 HB3 ASN 595 HB3 ASN 595 -1.415 -10.028 16.625 468 HD21 ASN 595 HD21 ASN 595 -3.008 -10.721 17.833 469 HD22 ASN 595 HD22 ASN 595 -4.702 -10.643 17.478 470 H ASN 596 H ASN 596 -0.368 -5.799 16.692 471 HA ASN 596 HA ASN 596 1.734 -5.242 16.857 472 HB2 ASN 596 HB2 ASN 596 1.136 -6.951 18.927 473 HB3 ASN 596 HB3 ASN 596 2.506 -7.798 18.236 474 HD21 ASN 596 HD21 ASN 596 1.441 -4.536 19.168 475 HD22 ASN 596 HD22 ASN 596 2.953 -3.982 19.807 476 H ASN 597 H ASN 597 1.008 -6.941 14.485 477 HA ASN 597 HA ASN 597 3.603 -8.204 14.069 478 HB2 ASN 597 HB2 ASN 597 0.801 -8.985 13.252 479 HB3 ASN 597 HB3 ASN 597 2.094 -9.366 12.132 480 HD21 ASN 597 HD21 ASN 597 3.308 -11.093 12.454 481 HD22 ASN 597 HD22 ASN 597 3.319 -12.097 13.866 482 H TRP 598 H TRP 598 4.488 -6.157 13.238 483 HA TRP 598 HA TRP 598 3.157 -5.106 10.851 484 HB2 TRP 598 HB2 TRP 598 5.252 -3.946 12.690 485 HB3 TRP 598 HB3 TRP 598 4.776 -3.205 11.174 486 HD1 TRP 598 HD TRP 598 3.086 -4.231 14.542 487 HE1 TRP 598 HE1 TRP 598 1.089 -2.601 15.109 488 HE3 TRP 598 HE3 TRP 598 3.352 -1.556 10.226 489 HZ2 TRP 598 HZ2 TRP 598 -0.128 -0.425 13.720 490 HZ3 TRP 598 HZ3 TRP 598 1.723 0.304 9.911 491 HH2 TRP 598 HH TRP 598 0.026 0.885 11.571 492 H ASP 599 H ASP 599 4.160 -5.236 8.833 493 HA ASP 599 HA ASP 599 6.737 -6.603 8.858 494 HB2 ASP 599 HB2 ASP 599 4.544 -6.754 6.736 495 HB3 ASP 599 HB3 ASP 599 6.069 -7.615 6.684 496 HD2 ASP 599 HD ASP 599 5.889 -8.499 9.515 497 H SER 600 H SER 600 7.031 -3.954 9.028 498 HA SER 600 HA SER 600 7.072 -2.937 6.300 499 HB2 SER 600 HB2 SER 600 7.199 -0.688 7.322 500 HB3 SER 600 HB3 SER 600 5.790 -1.560 7.889 501 HG SER 600 HG SER 600 7.772 -0.471 9.364 502 H ASN 601 H ASN 601 9.026 -4.829 7.748 503 HA ASN 601 HA ASN 601 11.179 -5.167 7.446 504 HB2 ASN 601 HB2 ASN 601 10.979 -3.073 5.757 505 HB3 ASN 601 HB3 ASN 601 11.861 -2.246 7.025 506 HD21 ASN 601 HD21 ASN 601 13.500 -2.049 5.371 507 HD22 ASN 601 HD22 ASN 601 14.645 -3.323 5.119 508 H ASN 602 H ASN 602 10.599 -1.827 8.804 509 HA ASN 602 HA ASN 602 11.312 -2.674 11.390 510 HB2 ASN 602 HB2 ASN 602 13.502 -1.945 9.768 511 HB3 ASN 602 HB3 ASN 602 13.168 -0.481 10.671 512 HD21 ASN 602 HD21 ASN 602 14.455 -3.629 10.716 513 HD22 ASN 602 HD22 ASN 602 14.900 -3.735 12.386 514 H THR 603 H THR 603 11.823 0.382 9.458 515 HA THR 603 HA THR 603 9.386 1.572 10.173 516 HB THR 603 HB THR 603 10.281 1.599 12.461 517 HG1 THR 603 HG1 THR 603 9.343 3.603 12.132 518 HG21 THR 603 HG21 THR 603 12.399 3.295 12.591 519 HG22 THR 603 HG22 THR 603 12.615 1.531 12.506 520 HG23 THR 603 HG23 THR 603 12.770 2.519 11.033 521 H LYS 604 H LYS 604 11.156 1.098 7.880 522 HA LYS 604 HA LYS 604 11.677 3.910 7.206 523 HB2 LYS 604 HB2 LYS 604 13.518 1.822 7.286 524 HB3 LYS 604 HB3 LYS 604 13.111 1.945 5.587 525 HG2 LYS 604 HG2 LYS 604 13.786 4.407 7.249 526 HG3 LYS 604 HG3 LYS 604 15.034 3.454 6.470 527 HD2 LYS 604 HD2 LYS 604 13.376 3.759 4.341 528 HD3 LYS 604 HD3 LYS 604 12.921 5.198 5.231 529 HE2 LYS 604 HE2 LYS 604 15.780 4.448 4.450 530 HE3 LYS 604 HE3 LYS 604 14.791 5.637 3.628 531 HZ2 LYS 604 HZ2 LYS 604 16.371 6.062 5.873 532 HZ3 LYS 604 HZ3 LYS 604 15.371 7.140 5.174 533 H ASN 605 H ASN 605 9.698 1.188 6.750 534 HA ASN 605 HA ASN 605 8.390 0.487 5.133 535 HB2 ASN 605 HB2 ASN 605 6.770 2.171 4.389 536 HB3 ASN 605 HB3 ASN 605 7.237 2.560 6.032 537 HD21 ASN 605 HD21 ASN 605 8.371 4.379 6.489 538 HD22 ASN 605 HD22 ASN 605 8.731 5.629 5.345 539 H TYR 606 H TYR 606 7.550 2.029 2.686 540 HA TYR 606 HA TYR 606 10.083 2.053 1.194 541 HB2 TYR 606 HB2 TYR 606 7.319 0.849 0.555 542 HB3 TYR 606 HB3 TYR 606 8.583 0.998 -0.649 543 HD1 TYR 606 HD2 TYR 606 10.628 -0.396 -0.507 544 HD2 TYR 606 HD1 TYR 606 7.401 -0.871 2.261 545 HE1 TYR 606 HE2 TYR 606 11.556 -2.656 0.198 546 HE2 TYR 606 HE1 TYR 606 8.339 -3.129 2.956 547 HH TYR 606 HH TYR 606 10.132 -4.898 1.371 548 H LEU 607 H LEU 607 9.907 3.251 -0.916 549 HA LEU 607 HA LEU 607 7.948 5.423 -0.640 550 HB2 LEU 607 HB2 LEU 607 10.612 5.665 -2.011 551 HB3 LEU 607 HB3 LEU 607 9.533 6.939 -1.478 552 HG LEU 607 HG LEU 607 10.524 5.184 0.684 553 HD11 LEU 607 HD11 LEU 607 12.755 5.738 0.677 554 HD12 LEU 607 HD12 LEU 607 12.448 5.531 -1.064 555 HD13 LEU 607 HD13 LEU 607 12.516 7.165 -0.360 556 HD21 LEU 607 HD21 LEU 607 10.856 8.142 0.681 557 HD22 LEU 607 HD22 LEU 607 9.196 7.500 0.653 558 HD23 LEU 607 HD23 LEU 607 10.305 7.044 1.969 559 H PHE 608 H PHE 608 6.420 5.494 -2.193 560 HA PHE 608 HA PHE 608 7.146 4.377 -4.805 561 HB2 PHE 608 HB2 PHE 608 4.429 4.204 -3.381 562 HB3 PHE 608 HB3 PHE 608 4.884 3.362 -4.849 563 HD1 PHE 608 HD1 PHE 608 7.505 2.243 -4.153 564 HD2 PHE 608 HD2 PHE 608 3.978 2.557 -1.816 565 HE1 PHE 608 HE1 PHE 608 8.232 0.263 -2.792 566 HE2 PHE 608 HE2 PHE 608 4.704 0.577 -0.454 567 HZ PHE 608 HZ PHE 608 6.822 -0.546 -0.959 568 H SER 609 H SER 609 6.055 5.338 -6.636 569 HA SER 609 HA SER 609 4.961 7.952 -5.949 570 HB2 SER 609 HB2 SER 609 7.132 7.836 -7.293 571 HB3 SER 609 HB3 SER 609 6.214 7.109 -8.597 572 HG SER 609 HG SER 609 6.508 9.503 -8.698 573 H THR 610 H THR 610 3.364 8.796 -7.738 574 HA THR 610 HA THR 610 1.129 7.224 -7.801 575 HB THR 610 HB THR 610 0.341 8.868 -9.466 576 HG1 THR 610 HG1 THR 610 3.241 9.300 -9.618 577 HG21 THR 610 HG21 THR 610 1.124 9.670 -7.042 578 HG22 THR 610 HG22 THR 610 2.443 10.445 -7.952 579 HG23 THR 610 HG23 THR 610 0.751 10.879 -8.294 580 H GLY 611 H GLY 611 -0.036 6.459 -9.888 581 HA2 GLY 611 HA2 GLY 611 0.216 5.429 -12.012 582 HA3 GLY 611 HA3 GLY 611 1.870 5.013 -11.611 583 H THR 612 H THR 612 1.342 2.765 -12.185 584 HA THR 612 HA THR 612 -0.382 1.434 -10.212 585 HB THR 612 HB THR 612 0.692 0.134 -12.726 586 HG1 THR 612 HG1 THR 612 -0.931 1.333 -13.884 587 HG21 THR 612 HG21 THR 612 -0.825 -1.210 -11.333 588 HG22 THR 612 HG22 THR 612 -1.978 0.142 -11.226 589 HG23 THR 612 HG23 THR 612 -1.718 -0.685 -12.781 590 H SER 613 H SER 613 0.396 0.019 -8.743 591 HA SER 613 HA SER 613 3.173 -0.771 -9.103 592 HB2 SER 613 HB2 SER 613 2.298 1.098 -7.193 593 HB3 SER 613 HB3 SER 613 2.428 -0.393 -6.282 594 HG SER 613 HG SER 613 4.636 -0.609 -7.262 595 H THR 614 H THR 614 3.739 -2.764 -7.800 596 HA THR 614 HA THR 614 1.369 -4.314 -7.029 597 HB THR 614 HB THR 614 3.636 -5.533 -8.647 598 HG1 THR 614 HG1 THR 614 2.443 -4.836 -10.509 599 HG21 THR 614 HG21 THR 614 1.831 -7.043 -9.401 600 HG22 THR 614 HG22 THR 614 1.859 -7.017 -7.621 601 HG23 THR 614 HG23 THR 614 0.626 -6.086 -8.506 602 H TYR 615 H TYR 615 1.559 -4.831 -4.949 603 HA TYR 615 HA TYR 615 4.252 -5.024 -3.842 604 HB2 TYR 615 HB2 TYR 615 1.612 -4.098 -3.076 605 HB3 TYR 615 HB3 TYR 615 1.969 -5.464 -2.039 606 HD1 TYR 615 HD1 TYR 615 4.999 -5.046 -1.857 607 HD2 TYR 615 HD2 TYR 615 1.703 -2.345 -1.473 608 HE1 TYR 615 HE1 TYR 615 6.398 -3.540 -0.362 609 HE2 TYR 615 HE2 TYR 615 3.113 -0.848 0.022 610 HH TYR 615 HH TYR 615 4.968 -0.704 1.184 611 H THR 616 H THR 616 5.207 -6.994 -3.785 612 HA THR 616 HA THR 616 3.444 -9.339 -3.607 613 HB THR 616 HB THR 616 6.245 -8.835 -4.711 614 HG1 THR 616 HG1 THR 616 4.415 -8.474 -6.110 615 HG21 THR 616 HG21 THR 616 5.695 -11.409 -5.417 616 HG22 THR 616 HG22 THR 616 6.674 -11.008 -3.986 617 HG23 THR 616 HG23 THR 616 4.945 -11.391 -3.803 618 HA PRO 617 HA PRO 617 4.876 -9.600 0.497 619 HB2 PRO 617 HB2 PRO 617 3.109 -11.512 1.326 620 HB3 PRO 617 HB3 PRO 617 2.744 -9.798 1.344 621 HG2 PRO 617 HG2 PRO 617 1.787 -11.877 -0.527 622 HG3 PRO 617 HG3 PRO 617 1.125 -10.283 -0.226 623 HD2 PRO 617 HD2 PRO 617 2.702 -11.087 -2.482 624 HD3 PRO 617 HD3 PRO 617 2.138 -9.468 -2.122 625 H GLY 618 H GLY 618 6.652 -10.551 -1.195 626 HA2 GLY 618 HA2 GLY 618 8.007 -12.316 -1.686 627 HA3 GLY 618 HA3 GLY 618 8.099 -12.386 0.062 628 H SER 619 H SER 619 8.410 -14.702 0.012 629 HA SER 619 HA SER 619 6.470 -16.323 -1.250 630 HB2 SER 619 HB2 SER 619 9.060 -16.670 -0.219 631 HB3 SER 619 HB3 SER 619 8.061 -17.632 0.852 632 HG SER 619 HG SER 619 8.850 -18.183 -1.707 633 H ASN 620 H ASN 620 7.359 -15.639 2.214 634 HA ASN 620 HA ASN 620 4.634 -15.638 2.938 635 HB2 ASN 620 HB2 ASN 620 6.364 -18.054 3.542 636 HB3 ASN 620 HB3 ASN 620 5.199 -17.548 4.748 637 HD21 ASN 620 HD21 ASN 620 2.999 -17.597 4.311 638 HD22 ASN 620 HD22 ASN 620 2.315 -18.519 3.013 639 H GLY 621 H GLY 621 4.526 -14.208 4.695 640 HA2 GLY 621 HA2 GLY 621 5.311 -12.715 6.205 641 HA3 GLY 621 HA3 GLY 621 5.934 -14.154 6.987 642 H ALA 622 H ALA 622 7.088 -13.164 3.765 643 HA ALA 622 HA ALA 622 9.587 -12.264 5.025 644 HB1 ALA 622 HB1 ALA 622 9.543 -14.615 3.925 645 HB2 ALA 622 HB2 ALA 622 9.448 -13.734 2.382 646 HB3 ALA 622 HB3 ALA 622 10.846 -13.497 3.457 647 H ALA 623 H ALA 623 9.538 -10.071 4.767 648 HA ALA 623 HA ALA 623 8.115 -8.578 3.075 649 HB1 ALA 623 HB1 ALA 623 9.316 -7.025 4.164 650 HB2 ALA 623 HB2 ALA 623 10.463 -8.278 4.697 651 HB3 ALA 623 HB3 ALA 623 10.733 -7.419 3.161 652 H GLY 624 H GLY 624 7.820 -8.508 0.909 653 HA2 GLY 624 HA2 GLY 624 9.861 -9.728 -0.804 654 HA3 GLY 624 HA3 GLY 624 8.198 -9.367 -1.223 655 H THR 625 H THR 625 8.164 -7.869 -2.844 656 HA THR 625 HA THR 625 9.460 -5.328 -2.364 657 HB THR 625 HB THR 625 10.494 -5.563 -4.773 658 HG1 THR 625 HG1 THR 625 10.523 -7.704 -5.476 659 HG21 THR 625 HG21 THR 625 11.640 -7.378 -2.590 660 HG22 THR 625 HG22 THR 625 12.537 -6.614 -3.924 661 HG23 THR 625 HG23 THR 625 11.866 -5.613 -2.614 662 H ILE 626 H ILE 626 8.916 -3.773 -4.254 663 HA ILE 626 HA ILE 626 6.189 -4.430 -5.131 664 HB ILE 626 HB ILE 626 6.980 -1.599 -4.766 665 HG12 ILE 626 HG11 ILE 626 6.211 -1.881 -2.293 666 HG13 ILE 626 HG12 ILE 626 6.716 -3.548 -2.485 667 HG21 ILE 626 HG21 ILE 626 4.528 -3.279 -4.717 668 HG22 ILE 626 HG22 ILE 626 4.551 -1.845 -3.663 669 HG23 ILE 626 HG23 ILE 626 4.810 -1.666 -5.415 670 HD11 ILE 626 HD11 ILE 626 8.933 -3.007 -2.467 671 HD12 ILE 626 HD12 ILE 626 8.690 -1.605 -3.537 672 HD13 ILE 626 HD13 ILE 626 8.389 -1.453 -1.790 673 H ARG 627 H ARG 627 5.876 -4.465 -7.296 674 HA ARG 627 HA ARG 627 8.011 -3.280 -8.875 675 HB2 ARG 627 HB2 ARG 627 6.739 -5.867 -8.958 676 HB3 ARG 627 HB3 ARG 627 6.315 -5.036 -10.441 677 HG2 ARG 627 HG2 ARG 627 9.192 -4.978 -9.501 678 HG3 ARG 627 HG3 ARG 627 8.580 -6.429 -10.270 679 HD2 ARG 627 HD1 ARG 627 8.558 -5.460 -12.343 680 HD3 ARG 627 HD2 ARG 627 7.814 -3.989 -11.747 681 HE ARG 627 HE ARG 627 10.449 -3.923 -10.778 682 HH11 ARG 627 HH22 ARG 627 8.905 -4.048 -13.965 683 HH12 ARG 627 HH21 ARG 627 10.198 -3.214 -14.761 684 HH22 ARG 627 HH1 ARG 627 12.098 -2.503 -13.486 685 H THR 628 H THR 628 7.487 -1.603 -10.279 686 HA THR 628 HA THR 628 4.801 -0.599 -10.210 687 HB THR 628 HB THR 628 6.547 0.690 -12.146 688 HG1 THR 628 HG1 THR 628 7.579 0.180 -9.449 689 HG21 THR 628 HG21 THR 628 5.086 2.115 -10.898 690 HG22 THR 628 HG22 THR 628 5.496 1.323 -9.357 691 HG23 THR 628 HG23 THR 628 6.677 2.394 -10.149 692 H GLY 629 H GLY 629 3.327 -0.361 -11.919 693 HA2 GLY 629 HA2 GLY 629 2.962 -0.646 -14.318 694 HA3 GLY 629 HA3 GLY 629 3.875 -2.139 -14.221 695 H ALA 630 H ALA 630 0.951 -1.459 -14.955 696 HA ALA 630 HA ALA 630 -0.742 -2.415 -12.963 697 HB1 ALA 630 HB1 ALA 630 -0.826 -1.983 -15.919 698 HB2 ALA 630 HB2 ALA 630 -2.072 -3.046 -15.222 699 HB3 ALA 630 HB3 ALA 630 -1.906 -1.371 -14.642 700 HA PRO 631 HA PRO 631 0.235 -6.645 -13.034 701 HB2 PRO 631 HB2 PRO 631 -1.782 -7.570 -11.438 702 HB3 PRO 631 HB3 PRO 631 -0.303 -6.873 -10.806 703 HG2 PRO 631 HG2 PRO 631 -3.003 -5.677 -10.947 704 HG3 PRO 631 HG3 PRO 631 -1.638 -5.193 -9.961 705 HD2 PRO 631 HD2 PRO 631 -2.569 -3.910 -12.351 706 HD3 PRO 631 HD3 PRO 631 -1.137 -3.497 -11.430 707 H SER 632 H SER 632 -0.961 -8.898 -13.277 708 HA SER 632 HA SER 632 -2.018 -8.726 -15.861 709 HB2 SER 632 HB2 SER 632 -1.393 -10.849 -13.881 710 HB3 SER 632 HB3 SER 632 -2.706 -11.257 -14.968 711 HG SER 632 HG SER 632 0.004 -11.134 -15.474 712 H GLY 633 H GLY 633 -3.713 -7.011 -14.994 713 HA2 GLY 633 HA2 GLY 633 -6.231 -7.734 -15.401 714 HA3 GLY 633 HA3 GLY 633 -6.040 -8.231 -13.732 Start of MODEL 10 1 H1 GLY 530 H GLY 530 -10.574 20.993 -9.230 2 HA2 GLY 530 HA2 GLY 530 -10.051 19.912 -7.099 3 HA3 GLY 530 HA3 GLY 530 -11.732 19.427 -7.001 4 H GLY 531 H GLY 531 -9.111 19.332 -9.532 5 HA2 GLY 531 HA2 GLY 531 -9.386 16.429 -9.669 6 HA3 GLY 531 HA3 GLY 531 -9.813 17.332 -11.109 7 H THR 532 H THR 532 -7.222 17.905 -8.628 8 HA THR 532 HA THR 532 -5.261 17.633 -10.812 9 HB THR 532 HB THR 532 -5.442 19.678 -8.539 10 HG1 THR 532 HG1 THR 532 -6.286 20.792 -10.254 11 HG21 THR 532 HG21 THR 532 -3.434 20.179 -10.607 12 HG22 THR 532 HG22 THR 532 -3.228 20.164 -8.839 13 HG23 THR 532 HG23 THR 532 -3.080 18.651 -9.764 14 H THR 533 H THR 533 -5.959 17.311 -7.297 15 HA THR 533 HA THR 533 -3.621 16.346 -6.361 16 HB THR 533 HB THR 533 -5.049 15.113 -4.735 17 HG1 THR 533 HG1 THR 533 -6.995 15.724 -6.847 18 HG21 THR 533 HG21 THR 533 -6.129 16.973 -3.872 19 HG22 THR 533 HG22 THR 533 -5.221 17.829 -5.141 20 HG23 THR 533 HG23 THR 533 -6.912 17.353 -5.424 21 H ASN 534 H ASN 534 -2.655 14.257 -6.044 22 HA ASN 534 HA ASN 534 -3.210 12.561 -8.342 23 HB2 ASN 534 HB2 ASN 534 -0.754 13.490 -7.016 24 HB3 ASN 534 HB3 ASN 534 -0.776 11.741 -7.114 25 HD21 ASN 534 HD21 ASN 534 0.990 13.475 -8.480 26 HD22 ASN 534 HD22 ASN 534 0.755 13.294 -10.186 27 H LYS 535 H LYS 535 -2.563 10.105 -7.799 28 HA LYS 535 HA LYS 535 -3.068 9.418 -5.030 29 HB2 LYS 535 HB2 LYS 535 -4.864 8.348 -7.224 30 HB3 LYS 535 HB3 LYS 535 -4.949 7.977 -5.514 31 HG2 LYS 535 HG2 LYS 535 -5.319 10.480 -5.089 32 HG3 LYS 535 HG3 LYS 535 -5.462 10.686 -6.823 33 HD2 LYS 535 HD2 LYS 535 -7.168 8.507 -6.234 34 HD3 LYS 535 HD3 LYS 535 -7.426 9.630 -4.913 35 HE2 LYS 535 HE2 LYS 535 -8.990 10.230 -6.660 36 HE3 LYS 535 HE3 LYS 535 -7.761 11.479 -6.627 37 HZ2 LYS 535 HZ2 LYS 535 -8.291 10.600 -8.898 38 HZ3 LYS 535 HZ3 LYS 535 -6.706 10.503 -8.533 39 H VAL 536 H VAL 536 -2.385 7.247 -4.515 40 HA VAL 536 HA VAL 536 -0.698 6.106 -6.635 41 HB VAL 536 HB VAL 536 -0.113 5.506 -3.800 42 HG11 VAL 536 HG11 VAL 536 1.227 5.560 -6.381 43 HG12 VAL 536 HG12 VAL 536 2.173 6.415 -5.139 44 HG13 VAL 536 HG13 VAL 536 1.683 4.724 -4.877 45 HG21 VAL 536 HG21 VAL 536 1.071 7.631 -3.424 46 HG22 VAL 536 HG22 VAL 536 0.425 8.263 -4.957 47 HG23 VAL 536 HG23 VAL 536 -0.681 7.881 -3.615 48 H THR 537 H THR 537 -1.341 4.150 -7.366 49 HA THR 537 HA THR 537 -3.183 2.633 -5.646 50 HB THR 537 HB THR 537 -2.770 2.817 -8.671 51 HG1 THR 537 HG1 THR 537 -5.058 3.501 -8.348 52 HG21 THR 537 HG21 THR 537 -4.423 0.886 -6.980 53 HG22 THR 537 HG22 THR 537 -4.901 1.323 -8.638 54 HG23 THR 537 HG23 THR 537 -3.350 0.499 -8.347 55 H VAL 538 H VAL 538 -2.483 0.845 -4.673 56 HA VAL 538 HA VAL 538 -0.170 -0.490 -5.898 57 HB VAL 538 HB VAL 538 -0.691 -0.437 -2.940 58 HG11 VAL 538 HG11 VAL 538 1.288 -1.493 -2.758 59 HG12 VAL 538 HG12 VAL 538 1.088 -1.849 -4.491 60 HG13 VAL 538 HG13 VAL 538 2.064 -0.452 -3.976 61 HG21 VAL 538 HG21 VAL 538 0.164 1.812 -4.606 62 HG22 VAL 538 HG22 VAL 538 -0.324 1.774 -2.895 63 HG23 VAL 538 HG23 VAL 538 1.354 1.394 -3.350 64 H TYR 539 H TYR 539 -0.430 -2.644 -6.309 65 HA TYR 539 HA TYR 539 -2.934 -3.829 -5.333 66 HB2 TYR 539 HB2 TYR 539 -1.229 -3.833 -7.804 67 HB3 TYR 539 HB3 TYR 539 -1.777 -5.433 -7.346 68 HD1 TYR 539 HD2 TYR 539 -3.087 -1.974 -7.947 69 HD2 TYR 539 HD1 TYR 539 -3.880 -6.177 -8.044 70 HE1 TYR 539 HE2 TYR 539 -5.329 -1.532 -9.060 71 HE2 TYR 539 HE1 TYR 539 -6.119 -5.721 -9.158 72 HH TYR 539 HH TYR 539 -7.236 -2.401 -9.668 73 H TYR 540 H TYR 540 -2.780 -5.312 -3.733 74 HA TYR 540 HA TYR 540 -0.188 -6.661 -3.419 75 HB2 TYR 540 HB2 TYR 540 -0.952 -5.254 -1.511 76 HB3 TYR 540 HB3 TYR 540 -2.559 -5.947 -1.593 77 HD1 TYR 540 HD1 TYR 540 -2.993 -8.230 -0.748 78 HD2 TYR 540 HD2 TYR 540 0.870 -6.423 -0.408 79 HE1 TYR 540 HE1 TYR 540 -2.320 -9.976 0.974 80 HE2 TYR 540 HE2 TYR 540 1.530 -8.175 1.313 81 HH TYR 540 HH TYR 540 0.935 -9.934 2.405 82 H LYS 541 H LYS 541 -0.074 -8.903 -3.344 83 HA LYS 541 HA LYS 541 -2.493 -10.257 -4.221 84 HB2 LYS 541 HB2 LYS 541 -0.344 -10.518 -5.461 85 HB3 LYS 541 HB3 LYS 541 0.359 -11.273 -4.045 86 HG2 LYS 541 HG2 LYS 541 -1.905 -12.779 -4.256 87 HG3 LYS 541 HG3 LYS 541 -1.708 -12.339 -5.941 88 HD2 LYS 541 HD2 LYS 541 0.890 -13.073 -4.933 89 HD3 LYS 541 HD3 LYS 541 -0.241 -14.308 -4.416 90 HE2 LYS 541 HE2 LYS 541 -1.096 -14.389 -6.841 91 HE3 LYS 541 HE3 LYS 541 0.249 -13.353 -7.273 92 HZ2 LYS 541 HZ2 LYS 541 1.220 -15.399 -7.543 93 HZ3 LYS 541 HZ3 LYS 541 1.572 -15.224 -5.963 94 H LYS 542 H LYS 542 -3.806 -11.248 -2.795 95 HA LYS 542 HA LYS 542 -2.878 -11.598 -0.092 96 HB2 LYS 542 HB2 LYS 542 -5.126 -10.681 -0.653 97 HB3 LYS 542 HB3 LYS 542 -5.569 -12.231 -1.339 98 HG2 LYS 542 HG2 LYS 542 -4.872 -13.243 0.967 99 HG3 LYS 542 HG3 LYS 542 -4.904 -11.595 1.561 100 HD2 LYS 542 HD2 LYS 542 -7.191 -13.300 0.569 101 HD3 LYS 542 HD3 LYS 542 -7.095 -12.323 2.020 102 HE2 LYS 542 HE2 LYS 542 -7.020 -10.259 0.453 103 HE3 LYS 542 HE3 LYS 542 -7.463 -11.349 -0.845 104 HZ2 LYS 542 HZ2 LYS 542 -9.430 -11.992 0.540 105 HZ3 LYS 542 HZ3 LYS 542 -9.048 -10.825 1.609 106 H GLY 543 H GLY 543 -2.338 -15.008 0.206 107 HA2 GLY 543 HA2 GLY 543 -1.382 -12.787 1.244 108 HA3 GLY 543 HA3 GLY 543 -3.092 -12.410 1.317 109 H PHE 544 H PHE 544 -3.942 -12.789 3.310 110 HA PHE 544 HA PHE 544 -3.240 -15.317 4.590 111 HB2 PHE 544 HB2 PHE 544 -2.747 -12.483 5.445 112 HB3 PHE 544 HB3 PHE 544 -3.515 -13.462 6.679 113 HD1 PHE 544 HD1 PHE 544 -0.542 -13.272 4.478 114 HD2 PHE 544 HD2 PHE 544 -2.267 -15.010 7.943 115 HE1 PHE 544 HE1 PHE 544 1.692 -14.226 5.111 116 HE2 PHE 544 HE2 PHE 544 -0.034 -15.964 8.576 117 HZ PHE 544 HZ PHE 544 1.919 -15.562 7.152 118 H ASN 545 H ASN 545 -5.001 -12.517 5.978 119 HA ASN 545 HA ASN 545 -7.496 -13.854 5.397 120 HB2 ASN 545 HB2 ASN 545 -6.497 -13.128 8.198 121 HB3 ASN 545 HB3 ASN 545 -8.185 -13.448 7.854 122 HD21 ASN 545 HD21 ASN 545 -5.036 -14.751 8.304 123 HD22 ASN 545 HD22 ASN 545 -5.423 -16.437 8.214 124 H SER 546 H SER 546 -5.995 -11.345 4.571 125 HA SER 546 HA SER 546 -6.742 -9.364 3.931 126 HB2 SER 546 HB2 SER 546 -8.854 -9.255 6.103 127 HB3 SER 546 HB3 SER 546 -8.838 -8.428 4.558 128 HG SER 546 HG SER 546 -10.022 -10.751 5.124 129 HA PRO 547 HA PRO 547 -4.423 -8.030 7.622 130 HB2 PRO 547 HB2 PRO 547 -2.019 -7.558 6.411 131 HB3 PRO 547 HB3 PRO 547 -2.410 -9.068 7.209 132 HG2 PRO 547 HG2 PRO 547 -2.270 -8.484 4.315 133 HG3 PRO 547 HG3 PRO 547 -2.236 -10.038 5.124 134 HD2 PRO 547 HD2 PRO 547 -4.460 -8.875 3.736 135 HD3 PRO 547 HD3 PRO 547 -4.459 -10.375 4.644 136 H TYR 548 H TYR 548 -4.178 -5.977 8.423 137 HA TYR 548 HA TYR 548 -5.210 -3.971 6.664 138 HB2 TYR 548 HB2 TYR 548 -4.309 -4.376 9.530 139 HB3 TYR 548 HB3 TYR 548 -4.293 -2.719 8.960 140 HD1 TYR 548 HD1 TYR 548 -6.383 -1.556 8.398 141 HD2 TYR 548 HD2 TYR 548 -6.410 -5.582 9.846 142 HE1 TYR 548 HE1 TYR 548 -8.873 -1.375 8.878 143 HE2 TYR 548 HE2 TYR 548 -8.900 -5.387 10.322 144 HH TYR 548 HH TYR 548 -10.609 -4.046 10.432 145 H ILE 549 H ILE 549 -4.157 -2.090 5.891 146 HA ILE 549 HA ILE 549 -1.226 -2.261 6.010 147 HB ILE 549 HB ILE 549 -1.543 -2.696 3.823 148 HG12 ILE 549 HG11 ILE 549 -1.889 0.315 3.750 149 HG13 ILE 549 HG12 ILE 549 -0.366 -0.502 4.038 150 HG21 ILE 549 HG21 ILE 549 -3.969 -2.829 3.925 151 HG22 ILE 549 HG22 ILE 549 -4.090 -1.054 3.856 152 HG23 ILE 549 HG23 ILE 549 -3.450 -1.958 2.462 153 HD11 ILE 549 HD11 ILE 549 -0.065 -0.783 1.814 154 HD12 ILE 549 HD12 ILE 549 -1.598 -1.679 1.700 155 HD13 ILE 549 HD13 ILE 549 -1.587 0.092 1.521 156 H HIS 550 H HIS 550 -0.066 -0.354 6.407 157 HA HIS 550 HA HIS 550 -1.719 2.001 6.924 158 HB2 HIS 550 HB2 HIS 550 -1.146 0.691 9.025 159 HB3 HIS 550 HB3 HIS 550 0.532 1.102 8.735 160 HD1 HIS 550 HD1 HIS 550 -1.608 2.087 11.086 161 HD2 HIS 550 HE2 HIS 550 0.091 4.315 7.964 162 HE1 HIS 550 HE1 HIS 550 -1.703 4.530 11.817 163 H TYR 551 H TYR 551 -1.035 3.660 5.676 164 HA TYR 551 HA TYR 551 1.841 3.766 5.070 165 HB2 TYR 551 HB2 TYR 551 0.584 4.963 2.922 166 HB3 TYR 551 HB3 TYR 551 0.979 3.255 2.940 167 HD1 TYR 551 HD2 TYR 551 -1.773 5.586 3.975 168 HD2 TYR 551 HD1 TYR 551 -0.709 1.702 2.532 169 HE1 TYR 551 HE2 TYR 551 -4.233 5.007 3.699 170 HE2 TYR 551 HE1 TYR 551 -3.173 1.136 2.260 171 HH TYR 551 HH TYR 551 -5.232 2.127 2.046 172 H ARG 552 H ARG 552 2.607 5.986 4.479 173 HA ARG 552 HA ARG 552 0.854 8.042 5.515 174 HB2 ARG 552 HB2 ARG 552 2.114 8.150 7.421 175 HB3 ARG 552 HB3 ARG 552 3.338 7.084 6.760 176 HG2 ARG 552 HG2 ARG 552 4.494 8.902 5.679 177 HG3 ARG 552 HG3 ARG 552 3.141 9.995 5.892 178 HD2 ARG 552 HD2 ARG 552 4.551 10.690 7.633 179 HD3 ARG 552 HD3 ARG 552 3.518 9.554 8.478 180 HE ARG 552 HE ARG 552 5.597 7.966 7.539 181 HH11 ARG 552 HH22 ARG 552 5.435 10.899 9.521 182 HH12 ARG 552 HH21 ARG 552 6.882 10.533 10.400 183 HH22 ARG 552 HH1 ARG 552 8.082 8.520 9.901 184 HA PRO 553 HA PRO 553 2.497 10.091 2.023 185 HB2 PRO 553 HB2 PRO 553 1.588 12.627 2.481 186 HB3 PRO 553 HB3 PRO 553 0.593 11.364 1.784 187 HG2 PRO 553 HG2 PRO 553 0.532 12.470 4.525 188 HG3 PRO 553 HG3 PRO 553 -0.695 11.538 3.689 189 HD2 PRO 553 HD2 PRO 553 1.101 10.586 5.713 190 HD3 PRO 553 HD3 PRO 553 -0.046 9.630 4.796 191 H ALA 554 H ALA 554 4.292 11.155 1.246 192 HA ALA 554 HA ALA 554 6.243 11.630 3.261 193 HB1 ALA 554 HB1 ALA 554 7.645 12.251 1.279 194 HB2 ALA 554 HB2 ALA 554 6.850 10.667 1.109 195 HB3 ALA 554 HB3 ALA 554 6.201 12.085 0.251 196 H GLY 555 H GLY 555 4.451 13.242 4.243 197 HA2 GLY 555 HA2 GLY 555 5.407 15.673 4.594 198 HA3 GLY 555 HA3 GLY 555 4.646 15.894 3.031 199 H GLY 556 H GLY 556 3.531 13.718 5.686 200 HA2 GLY 556 HA2 GLY 556 1.326 15.556 6.282 201 HA3 GLY 556 HA3 GLY 556 0.931 13.969 5.653 202 H SER 557 H SER 557 1.238 12.084 6.938 203 HA SER 557 HA SER 557 2.704 12.006 9.250 204 HB2 SER 557 HB2 SER 557 1.136 13.669 10.166 205 HB3 SER 557 HB3 SER 557 -0.234 12.667 9.732 206 HG SER 557 HG SER 557 1.479 12.491 11.932 207 H TRP 558 H TRP 558 1.272 10.197 10.847 208 HA TRP 558 HA TRP 558 0.968 7.993 8.970 209 HB2 TRP 558 HB2 TRP 558 1.439 8.187 11.935 210 HB3 TRP 558 HB3 TRP 558 0.911 6.690 11.193 211 HD1 TRP 558 HD TRP 558 4.032 8.659 11.844 212 HE1 TRP 558 HE1 TRP 558 6.172 7.582 10.738 213 HE3 TRP 558 HE3 TRP 558 1.503 5.370 8.905 214 HZ2 TRP 558 HZ2 TRP 558 6.559 5.521 8.802 215 HZ3 TRP 558 HZ3 TRP 558 2.837 3.861 7.436 216 HH2 TRP 558 HH TRP 558 5.280 3.900 7.354 217 H THR 559 H THR 559 -1.050 7.387 8.315 218 HA THR 559 HA THR 559 -3.364 8.658 9.155 219 HB THR 559 HB THR 559 -2.836 5.963 7.802 220 HG1 THR 559 HG1 THR 559 -2.169 8.070 6.815 221 HG21 THR 559 HG21 THR 559 -5.406 7.614 8.043 222 HG22 THR 559 HG22 THR 559 -5.170 6.286 6.881 223 HG23 THR 559 HG23 THR 559 -5.167 5.950 8.629 224 H ALA 560 H ALA 560 -5.348 7.467 10.085 225 HA ALA 560 HA ALA 560 -4.723 6.843 12.750 226 HB1 ALA 560 HB1 ALA 560 -7.312 5.931 12.280 227 HB2 ALA 560 HB2 ALA 560 -6.856 7.585 12.755 228 HB3 ALA 560 HB3 ALA 560 -7.083 7.184 11.036 229 H ALA 561 H ALA 561 -3.604 5.036 13.320 230 HA ALA 561 HA ALA 561 -3.673 2.682 11.744 231 HB1 ALA 561 HB1 ALA 561 -2.565 1.888 14.082 232 HB2 ALA 561 HB2 ALA 561 -1.678 2.829 12.859 233 HB3 ALA 561 HB3 ALA 561 -2.399 3.651 14.263 234 HA PRO 562 HA PRO 562 -3.697 0.837 11.645 235 HB2 PRO 562 HB2 PRO 562 -5.263 -0.969 10.320 236 HB3 PRO 562 HB3 PRO 562 -4.273 -1.391 11.703 237 HG2 PRO 562 HG2 PRO 562 -7.203 -1.028 11.563 238 HG3 PRO 562 HG3 PRO 562 -6.256 -1.847 12.789 239 HD2 PRO 562 HD2 PRO 562 -7.439 0.759 12.990 240 HD3 PRO 562 HD3 PRO 562 -6.395 -0.012 14.168 241 H GLY 563 H GLY 563 -3.188 1.391 9.527 242 HA2 GLY 563 HA2 GLY 563 -4.266 3.633 8.501 243 HA3 GLY 563 HA3 GLY 563 -3.549 2.370 7.520 244 H VAL 564 H VAL 564 -4.843 1.088 6.191 245 HA VAL 564 HA VAL 564 -7.732 1.290 6.581 246 HB VAL 564 HB VAL 564 -6.585 1.516 3.827 247 HG11 VAL 564 HG11 VAL 564 -8.717 1.858 3.240 248 HG12 VAL 564 HG12 VAL 564 -9.159 1.386 4.898 249 HG13 VAL 564 HG13 VAL 564 -8.937 3.104 4.492 250 HG21 VAL 564 HG21 VAL 564 -5.426 3.271 5.081 251 HG22 VAL 564 HG22 VAL 564 -6.632 3.973 3.976 252 HG23 VAL 564 HG23 VAL 564 -6.981 3.860 5.718 253 H LYS 565 H LYS 565 -8.920 -0.460 5.440 254 HA LYS 565 HA LYS 565 -7.328 -2.876 5.527 255 HB2 LYS 565 HB2 LYS 565 -9.372 -4.033 5.698 256 HB3 LYS 565 HB3 LYS 565 -9.570 -2.593 6.676 257 HG2 LYS 565 HG2 LYS 565 -11.522 -2.380 5.480 258 HG3 LYS 565 HG3 LYS 565 -10.475 -1.611 4.304 259 HD2 LYS 565 HD2 LYS 565 -10.625 -3.362 2.824 260 HD3 LYS 565 HD3 LYS 565 -10.535 -4.574 4.087 261 HE2 LYS 565 HE2 LYS 565 -13.041 -3.103 4.329 262 HE3 LYS 565 HE3 LYS 565 -12.864 -3.690 2.687 263 HZ2 LYS 565 HZ2 LYS 565 -12.143 -5.652 4.675 264 HZ3 LYS 565 HZ3 LYS 565 -13.705 -5.201 4.772 265 H MET 566 H MET 566 -6.410 -3.763 3.762 266 HA MET 566 HA MET 566 -6.255 -2.734 1.362 267 HB2 MET 566 HB2 MET 566 -6.520 -5.671 2.177 268 HB3 MET 566 HB3 MET 566 -6.103 -5.225 0.535 269 HG2 MET 566 HG2 MET 566 -4.381 -3.664 2.166 270 HG3 MET 566 HG3 MET 566 -4.411 -5.240 2.930 271 HE1 MET 566 HE1 MET 566 -2.890 -3.073 0.446 272 HE2 MET 566 HE2 MET 566 -2.471 -4.053 -0.980 273 HE3 MET 566 HE3 MET 566 -4.158 -3.558 -0.705 274 H GLN 567 H GLN 567 -7.560 -2.219 -0.350 275 HA GLN 567 HA GLN 567 -10.276 -3.174 -0.214 276 HB2 GLN 567 HB2 GLN 567 -8.875 -0.829 -1.352 277 HB3 GLN 567 HB3 GLN 567 -10.119 -1.469 -2.408 278 HG2 GLN 567 HG2 GLN 567 -11.841 -0.941 -0.947 279 HG3 GLN 567 HG3 GLN 567 -10.869 -1.229 0.482 280 HE21 GLN 567 HE12 GLN 567 -12.550 1.052 -0.851 281 HE22 GLN 567 HE22 GLN 567 -11.618 2.480 -0.550 282 H ASP 568 H ASP 568 -10.750 -5.073 -1.231 283 HA ASP 568 HA ASP 568 -9.145 -6.427 -2.891 284 HB2 ASP 568 HB2 ASP 568 -12.017 -6.608 -3.641 285 HB3 ASP 568 HB3 ASP 568 -10.925 -7.872 -3.112 286 HD2 ASP 568 HD ASP 568 -12.135 -8.510 -0.610 287 H ALA 569 H ALA 569 -8.657 -6.373 -5.132 288 HA ALA 569 HA ALA 569 -9.381 -4.012 -6.551 289 HB1 ALA 569 HB1 ALA 569 -8.081 -6.427 -7.802 290 HB2 ALA 569 HB2 ALA 569 -7.757 -4.699 -8.077 291 HB3 ALA 569 HB3 ALA 569 -7.195 -5.483 -6.581 292 H GLU 570 H GLU 570 -9.443 -5.661 -9.167 293 HA GLU 570 HA GLU 570 -12.220 -6.516 -8.905 294 HB2 GLU 570 HB2 GLU 570 -12.705 -5.556 -11.101 295 HB3 GLU 570 HB3 GLU 570 -12.048 -4.311 -10.057 296 HG2 GLU 570 HG2 GLU 570 -10.065 -4.148 -11.251 297 HG3 GLU 570 HG3 GLU 570 -10.046 -5.849 -11.670 298 HE2 GLU 570 HE GLU 570 -10.685 -6.296 -13.653 299 H ILE 571 H ILE 571 -9.292 -7.750 -9.067 300 HA ILE 571 HA ILE 571 -9.505 -9.325 -11.467 301 HB ILE 571 HB ILE 571 -7.545 -9.371 -9.170 302 HG12 ILE 571 HG11 ILE 571 -7.496 -8.046 -11.889 303 HG13 ILE 571 HG12 ILE 571 -7.374 -7.285 -10.315 304 HG21 ILE 571 HG21 ILE 571 -6.201 -10.864 -10.394 305 HG22 ILE 571 HG22 ILE 571 -7.845 -11.543 -10.468 306 HG23 ILE 571 HG23 ILE 571 -7.178 -10.672 -11.870 307 HD11 ILE 571 HD11 ILE 571 -5.159 -7.535 -11.511 308 HD12 ILE 571 HD12 ILE 571 -5.195 -8.300 -9.904 309 HD13 ILE 571 HD13 ILE 571 -5.340 -9.300 -11.370 310 H SER 572 H SER 572 -8.698 -10.615 -8.216 311 HA SER 572 HA SER 572 -11.004 -11.774 -7.522 312 HB2 SER 572 HB2 SER 572 -10.082 -12.995 -9.956 313 HB3 SER 572 HB3 SER 572 -9.890 -14.177 -8.676 314 HG SER 572 HG SER 572 -11.983 -14.479 -9.307 315 H GLY 573 H GLY 573 -10.000 -11.451 -5.481 316 HA2 GLY 573 HA2 GLY 573 -9.055 -12.549 -3.663 317 HA3 GLY 573 HA3 GLY 573 -8.084 -13.536 -4.738 318 H TYR 574 H TYR 574 -8.085 -10.275 -5.805 319 HA TYR 574 HA TYR 574 -5.433 -9.907 -4.608 320 HB2 TYR 574 HB2 TYR 574 -6.914 -9.274 -7.153 321 HB3 TYR 574 HB3 TYR 574 -5.887 -7.971 -6.590 322 HD1 TYR 574 HD1 TYR 574 -5.811 -11.623 -7.399 323 HD2 TYR 574 HD2 TYR 574 -3.593 -7.977 -7.088 324 HE1 TYR 574 HE1 TYR 574 -3.789 -12.754 -8.447 325 HE2 TYR 574 HE2 TYR 574 -1.579 -9.121 -8.136 326 HH TYR 574 HH TYR 574 -1.832 -12.317 -9.504 327 H ALA 575 H ALA 575 -4.809 -7.697 -3.934 328 HA ALA 575 HA ALA 575 -7.154 -6.223 -2.944 329 HB1 ALA 575 HB1 ALA 575 -6.170 -6.944 -0.986 330 HB2 ALA 575 HB2 ALA 575 -4.543 -7.023 -1.703 331 HB3 ALA 575 HB3 ALA 575 -5.239 -5.450 -1.245 332 H LYS 576 H LYS 576 -6.926 -3.862 -2.858 333 HA LYS 576 HA LYS 576 -4.690 -2.707 -4.245 334 HB2 LYS 576 HB2 LYS 576 -5.738 -1.957 -6.168 335 HB3 LYS 576 HB3 LYS 576 -6.361 -3.587 -6.014 336 HG2 LYS 576 HG2 LYS 576 -8.442 -2.756 -4.995 337 HG3 LYS 576 HG3 LYS 576 -7.812 -1.122 -4.946 338 HD2 LYS 576 HD2 LYS 576 -7.920 -2.559 -7.606 339 HD3 LYS 576 HD3 LYS 576 -9.405 -1.911 -6.937 340 HE2 LYS 576 HE2 LYS 576 -6.991 -0.105 -6.967 341 HE3 LYS 576 HE3 LYS 576 -7.776 -0.430 -8.500 342 HZ2 LYS 576 HZ2 LYS 576 -9.920 0.175 -7.187 343 HZ3 LYS 576 HZ3 LYS 576 -8.915 0.902 -6.133 344 H ILE 577 H ILE 577 -4.260 -0.738 -3.366 345 HA ILE 577 HA ILE 577 -6.477 0.565 -1.951 346 HB ILE 577 HB ILE 577 -5.401 0.611 -0.017 347 HG12 ILE 577 HG11 ILE 577 -3.838 2.311 -0.739 348 HG13 ILE 577 HG12 ILE 577 -3.017 1.140 0.274 349 HG21 ILE 577 HG21 ILE 577 -3.856 -1.228 0.411 350 HG22 ILE 577 HG22 ILE 577 -5.200 -1.753 -0.632 351 HG23 ILE 577 HG23 ILE 577 -3.597 -1.436 -1.338 352 HD11 ILE 577 HD11 ILE 577 -1.560 0.644 -1.386 353 HD12 ILE 577 HD12 ILE 577 -2.897 0.270 -2.501 354 HD13 ILE 577 HD13 ILE 577 -2.301 1.941 -2.355 355 H THR 578 H THR 578 -6.494 2.856 -2.023 356 HA THR 578 HA THR 578 -4.482 4.028 -3.822 357 HB THR 578 HB THR 578 -7.428 4.803 -3.836 358 HG1 THR 578 HG1 THR 578 -7.705 3.070 -5.295 359 HG21 THR 578 HG21 THR 578 -4.992 5.286 -5.508 360 HG22 THR 578 HG22 THR 578 -6.469 4.883 -6.416 361 HG23 THR 578 HG23 THR 578 -6.452 6.287 -5.323 362 H VAL 579 H VAL 579 -3.520 5.845 -3.115 363 HA VAL 579 HA VAL 579 -4.838 7.241 -0.898 364 HB VAL 579 HB VAL 579 -2.866 5.584 -0.368 365 HG11 VAL 579 HG11 VAL 579 -1.417 6.761 -2.137 366 HG12 VAL 579 HG12 VAL 579 -1.249 8.072 -0.945 367 HG13 VAL 579 HG13 VAL 579 -0.678 6.433 -0.551 368 HG21 VAL 579 HG21 VAL 579 -2.179 7.086 1.509 369 HG22 VAL 579 HG22 VAL 579 -3.101 8.400 0.740 370 HG23 VAL 579 HG23 VAL 579 -3.942 6.940 1.314 371 H ASP 580 H ASP 580 -4.901 9.443 -1.133 372 HA ASP 580 HA ASP 580 -3.736 10.435 -3.572 373 HB2 ASP 580 HB2 ASP 580 -6.079 10.997 -3.106 374 HB3 ASP 580 HB3 ASP 580 -5.658 11.636 -1.529 375 HD2 ASP 580 HD ASP 580 -6.765 13.569 -3.909 376 H ILE 581 H ILE 581 -2.317 12.354 -3.564 377 HA ILE 581 HA ILE 581 -1.239 13.027 -0.920 378 HB ILE 581 HB ILE 581 1.001 13.184 -2.068 379 HG12 ILE 581 HG11 ILE 581 -0.564 11.799 -4.239 380 HG13 ILE 581 HG12 ILE 581 0.513 13.176 -4.365 381 HG21 ILE 581 HG21 ILE 581 0.051 10.337 -2.059 382 HG22 ILE 581 HG22 ILE 581 1.562 11.039 -1.433 383 HG23 ILE 581 HG23 ILE 581 0.034 11.288 -0.554 384 HD11 ILE 581 HD11 ILE 581 2.277 11.365 -3.371 385 HD12 ILE 581 HD12 ILE 581 1.164 10.258 -4.211 386 HD13 ILE 581 HD13 ILE 581 1.977 11.559 -5.115 387 H GLY 582 H GLY 582 -1.972 13.914 -4.305 388 HA2 GLY 582 HA2 GLY 582 -1.989 15.932 -5.343 389 HA3 GLY 582 HA3 GLY 582 -2.914 16.391 -3.926 390 H SER 583 H SER 583 0.602 15.574 -4.368 391 HA SER 583 HA SER 583 1.743 17.918 -4.501 392 HB2 SER 583 HB2 SER 583 0.461 17.699 -1.834 393 HB3 SER 583 HB3 SER 583 2.150 18.161 -1.768 394 HG SER 583 HG SER 583 1.491 19.789 -3.530 395 H ALA 584 H ALA 584 1.653 15.210 -2.079 396 HA ALA 584 HA ALA 584 4.447 15.001 -1.855 397 HB1 ALA 584 HB1 ALA 584 2.873 12.544 -1.419 398 HB2 ALA 584 HB2 ALA 584 3.901 13.458 -0.290 399 HB3 ALA 584 HB3 ALA 584 2.222 13.972 -0.579 400 H SER 585 H SER 585 5.925 13.523 -2.820 401 HA SER 585 HA SER 585 4.909 12.446 -5.332 402 HB2 SER 585 HB2 SER 585 7.682 13.454 -4.573 403 HB3 SER 585 HB3 SER 585 7.361 12.579 -6.057 404 HG SER 585 HG SER 585 5.548 14.377 -6.234 405 H GLN 586 H GLN 586 5.602 11.543 -2.238 406 HA GLN 586 HA GLN 586 6.184 8.868 -3.087 407 HB2 GLN 586 HB2 GLN 586 8.189 10.598 -1.748 408 HB3 GLN 586 HB3 GLN 586 7.957 9.049 -0.964 409 HG2 GLN 586 HG2 GLN 586 8.311 7.894 -3.167 410 HG3 GLN 586 HG3 GLN 586 8.576 9.449 -3.929 411 HE21 GLN 586 HE12 GLN 586 10.210 6.928 -3.210 412 HE22 GLN 586 HE22 GLN 586 11.699 7.545 -2.576 413 H LEU 587 H LEU 587 5.275 7.329 -1.685 414 HA LEU 587 HA LEU 587 4.305 8.318 0.884 415 HB2 LEU 587 HB2 LEU 587 2.528 8.578 -0.862 416 HB3 LEU 587 HB3 LEU 587 2.555 6.839 -1.082 417 HG LEU 587 HG LEU 587 2.185 7.700 1.717 418 HD11 LEU 587 HD11 LEU 587 0.700 9.317 1.281 419 HD12 LEU 587 HD12 LEU 587 0.515 8.829 -0.421 420 HD13 LEU 587 HD13 LEU 587 -0.399 7.984 0.852 421 HD21 LEU 587 HD21 LEU 587 0.189 6.020 1.285 422 HD22 LEU 587 HD22 LEU 587 1.162 5.598 -0.144 423 HD23 LEU 587 HD23 LEU 587 1.863 5.449 1.485 424 H GLU 588 H GLU 588 4.566 6.852 2.523 425 HA GLU 588 HA GLU 588 5.734 4.333 1.699 426 HB2 GLU 588 HB2 GLU 588 6.378 4.197 4.165 427 HB3 GLU 588 HB3 GLU 588 7.110 5.511 3.265 428 HG2 GLU 588 HG2 GLU 588 4.523 6.329 4.380 429 HG3 GLU 588 HG3 GLU 588 5.579 5.721 5.640 430 HE2 GLU 588 HE GLU 588 6.472 9.114 3.731 431 H ALA 589 H ALA 589 4.912 2.296 2.390 432 HA ALA 589 HA ALA 589 2.416 2.365 3.904 433 HB1 ALA 589 HB1 ALA 589 2.071 2.391 1.329 434 HB2 ALA 589 HB2 ALA 589 2.664 0.713 1.380 435 HB3 ALA 589 HB3 ALA 589 1.198 1.167 2.280 436 H ALA 590 H ALA 590 2.148 0.574 5.252 437 HA ALA 590 HA ALA 590 4.276 -1.446 5.064 438 HB1 ALA 590 HB1 ALA 590 4.935 -0.258 6.952 439 HB2 ALA 590 HB2 ALA 590 3.266 0.180 7.389 440 HB3 ALA 590 HB3 ALA 590 3.856 -1.475 7.676 441 H PHE 591 H PHE 591 3.639 -3.561 6.106 442 HA PHE 591 HA PHE 591 0.745 -3.957 5.796 443 HB2 PHE 591 HB2 PHE 591 3.244 -5.566 5.067 444 HB3 PHE 591 HB3 PHE 591 1.714 -6.396 5.275 445 HD1 PHE 591 HD2 PHE 591 -0.145 -4.398 4.076 446 HD2 PHE 591 HD1 PHE 591 3.656 -5.769 2.779 447 HE1 PHE 591 HE2 PHE 591 -0.761 -3.860 1.703 448 HE2 PHE 591 HE1 PHE 591 3.040 -5.231 0.406 449 HZ PHE 591 HZ PHE 591 0.840 -4.282 -0.104 450 H ASN 592 H ASN 592 -0.335 -4.810 7.525 451 HA ASN 592 HA ASN 592 1.201 -6.342 9.425 452 HB2 ASN 592 HB2 ASN 592 0.225 -5.041 11.349 453 HB3 ASN 592 HB3 ASN 592 1.290 -4.060 10.362 454 HD21 ASN 592 HD21 ASN 592 -2.031 -4.821 11.162 455 HD22 ASN 592 HD22 ASN 592 -2.768 -3.377 10.555 456 H ASP 593 H ASP 593 -0.108 -8.006 10.334 457 HA ASP 593 HA ASP 593 -2.542 -8.504 9.080 458 HB2 ASP 593 HB2 ASP 593 -1.437 -10.433 9.831 459 HB3 ASP 593 HB3 ASP 593 -0.971 -9.702 11.354 460 HD2 ASP 593 HD ASP 593 -2.655 -9.433 12.851 461 H GLY 594 H GLY 594 -1.589 -6.585 11.831 462 HA2 GLY 594 HA2 GLY 594 -3.136 -5.042 12.760 463 HA3 GLY 594 HA3 GLY 594 -4.417 -6.224 12.584 464 H ASN 595 H ASN 595 -1.305 -7.451 13.648 465 HA ASN 595 HA ASN 595 -2.324 -7.456 16.380 466 HB2 ASN 595 HB2 ASN 595 -1.988 -9.705 14.732 467 HB3 ASN 595 HB3 ASN 595 -0.503 -9.692 15.663 468 HD21 ASN 595 HD21 ASN 595 -2.280 -11.726 15.925 469 HD22 ASN 595 HD22 ASN 595 -3.046 -11.698 17.478 470 H ASN 596 H ASN 596 -0.451 -5.593 14.955 471 HA ASN 596 HA ASN 596 1.364 -4.503 15.480 472 HB2 ASN 596 HB2 ASN 596 1.000 -6.075 17.823 473 HB3 ASN 596 HB3 ASN 596 2.679 -6.321 17.386 474 HD21 ASN 596 HD21 ASN 596 1.548 -4.914 19.648 475 HD22 ASN 596 HD22 ASN 596 2.128 -3.282 19.602 476 H ASN 597 H ASN 597 1.085 -7.116 13.757 477 HA ASN 597 HA ASN 597 3.875 -7.896 13.705 478 HB2 ASN 597 HB2 ASN 597 1.304 -9.084 12.592 479 HB3 ASN 597 HB3 ASN 597 2.847 -9.586 11.929 480 HD21 ASN 597 HD21 ASN 597 1.204 -11.379 13.142 481 HD22 ASN 597 HD22 ASN 597 1.872 -11.930 14.641 482 H TRP 598 H TRP 598 4.508 -5.778 12.686 483 HA TRP 598 HA TRP 598 3.419 -5.272 10.043 484 HB2 TRP 598 HB2 TRP 598 5.455 -3.742 11.674 485 HB3 TRP 598 HB3 TRP 598 4.772 -3.232 10.142 486 HD1 TRP 598 HD TRP 598 3.007 -4.482 13.415 487 HE1 TRP 598 HE1 TRP 598 1.100 -2.802 14.125 488 HE3 TRP 598 HE3 TRP 598 3.798 -1.169 9.640 489 HZ2 TRP 598 HZ2 TRP 598 0.158 -0.331 13.052 490 HZ3 TRP 598 HZ3 TRP 598 2.341 0.852 9.543 491 HH2 TRP 598 HH TRP 598 0.571 1.296 11.170 492 H ASP 599 H ASP 599 4.413 -5.982 8.194 493 HA ASP 599 HA ASP 599 6.926 -7.349 8.555 494 HB2 ASP 599 HB2 ASP 599 4.942 -7.180 6.244 495 HB3 ASP 599 HB3 ASP 599 6.471 -8.026 6.110 496 HD2 ASP 599 HD ASP 599 5.323 -9.060 9.241 497 H SER 600 H SER 600 6.616 -4.322 8.568 498 HA SER 600 HA SER 600 7.308 -3.234 6.142 499 HB2 SER 600 HB2 SER 600 8.065 -1.281 7.453 500 HB3 SER 600 HB3 SER 600 6.550 -1.904 8.075 501 HG SER 600 HG SER 600 7.539 -2.672 9.890 502 H ASN 601 H ASN 601 9.707 -2.869 8.764 503 HA ASN 601 HA ASN 601 11.571 -4.676 7.925 504 HB2 ASN 601 HB2 ASN 601 11.338 -2.724 5.951 505 HB3 ASN 601 HB3 ASN 601 12.637 -2.072 6.929 506 HD21 ASN 601 HD21 ASN 601 13.591 -2.543 4.691 507 HD22 ASN 601 HD22 ASN 601 14.417 -4.053 4.501 508 H ASN 602 H ASN 602 10.530 -3.480 10.334 509 HA ASN 602 HA ASN 602 11.347 -2.945 12.294 510 HB2 ASN 602 HB2 ASN 602 13.679 -3.649 11.189 511 HB3 ASN 602 HB3 ASN 602 13.977 -1.922 11.171 512 HD21 ASN 602 HD21 ASN 602 15.690 -2.268 12.625 513 HD22 ASN 602 HD22 ASN 602 15.427 -2.491 14.322 514 H THR 603 H THR 603 12.709 -0.769 9.702 515 HA THR 603 HA THR 603 11.013 1.373 10.256 516 HB THR 603 HB THR 603 13.260 2.694 11.213 517 HG1 THR 603 HG1 THR 603 13.997 1.111 12.884 518 HG21 THR 603 HG21 THR 603 10.698 1.932 12.234 519 HG22 THR 603 HG22 THR 603 11.891 1.433 13.458 520 HG23 THR 603 HG23 THR 603 11.816 3.131 12.928 521 H LYS 604 H LYS 604 11.808 -0.003 7.969 522 HA LYS 604 HA LYS 604 12.996 2.209 6.527 523 HB2 LYS 604 HB2 LYS 604 14.634 0.105 7.326 524 HB3 LYS 604 HB3 LYS 604 14.205 -0.316 5.680 525 HG2 LYS 604 HG2 LYS 604 15.048 2.525 6.316 526 HG3 LYS 604 HG3 LYS 604 16.272 1.282 6.149 527 HD2 LYS 604 HD2 LYS 604 14.676 0.798 3.926 528 HD3 LYS 604 HD3 LYS 604 14.564 2.541 4.069 529 HE2 LYS 604 HE2 LYS 604 16.549 2.583 2.941 530 HE3 LYS 604 HE3 LYS 604 17.274 2.150 4.477 531 HZ2 LYS 604 HZ2 LYS 604 17.117 -0.186 3.856 532 HZ3 LYS 604 HZ3 LYS 604 16.353 0.169 2.462 533 H ASN 605 H ASN 605 10.399 1.845 6.420 534 HA ASN 605 HA ASN 605 9.400 -0.187 4.900 535 HB2 ASN 605 HB2 ASN 605 8.407 2.695 4.713 536 HB3 ASN 605 HB3 ASN 605 7.452 1.231 4.584 537 HD21 ASN 605 HD21 ASN 605 9.131 3.423 6.696 538 HD22 ASN 605 HD22 ASN 605 8.494 2.863 8.206 539 H TYR 606 H TYR 606 8.045 1.233 2.705 540 HA TYR 606 HA TYR 606 10.327 1.941 0.990 541 HB2 TYR 606 HB2 TYR 606 7.794 0.275 0.426 542 HB3 TYR 606 HB3 TYR 606 8.992 0.674 -0.789 543 HD1 TYR 606 HD1 TYR 606 11.190 -0.426 -0.804 544 HD2 TYR 606 HD2 TYR 606 8.229 -1.434 2.115 545 HE1 TYR 606 HE1 TYR 606 12.479 -2.537 -0.215 546 HE2 TYR 606 HE2 TYR 606 9.528 -3.542 2.695 547 HH TYR 606 HH TYR 606 11.428 -5.005 1.007 548 H LEU 607 H LEU 607 10.030 3.694 -0.372 549 HA LEU 607 HA LEU 607 7.494 5.100 0.000 550 HB2 LEU 607 HB2 LEU 607 10.144 6.115 -1.036 551 HB3 LEU 607 HB3 LEU 607 8.711 7.076 -0.728 552 HG LEU 607 HG LEU 607 9.042 5.977 1.723 553 HD11 LEU 607 HD11 LEU 607 11.542 5.501 0.330 554 HD12 LEU 607 HD12 LEU 607 11.775 6.542 1.756 555 HD13 LEU 607 HD13 LEU 607 11.001 4.949 1.934 556 HD21 LEU 607 HD21 LEU 607 10.730 8.244 1.722 557 HD22 LEU 607 HD22 LEU 607 9.503 8.515 0.461 558 HD23 LEU 607 HD23 LEU 607 9.000 8.156 2.130 559 H PHE 608 H PHE 608 6.029 5.239 -1.621 560 HA PHE 608 HA PHE 608 6.994 4.520 -4.300 561 HB2 PHE 608 HB2 PHE 608 4.115 4.154 -3.465 562 HB3 PHE 608 HB3 PHE 608 5.086 3.130 -4.504 563 HD1 PHE 608 HD1 PHE 608 6.890 1.683 -3.380 564 HD2 PHE 608 HD2 PHE 608 3.741 3.555 -1.237 565 HE1 PHE 608 HE1 PHE 608 7.224 0.073 -1.482 566 HE2 PHE 608 HE2 PHE 608 4.075 1.946 0.660 567 HZ PHE 608 HZ PHE 608 5.812 0.224 0.515 568 H SER 609 H SER 609 6.090 5.667 -6.084 569 HA SER 609 HA SER 609 4.861 8.161 -5.246 570 HB2 SER 609 HB2 SER 609 7.005 8.235 -6.561 571 HB3 SER 609 HB3 SER 609 6.191 7.444 -7.897 572 HG SER 609 HG SER 609 6.276 9.800 -8.097 573 H THR 610 H THR 610 3.246 9.105 -6.956 574 HA THR 610 HA THR 610 1.069 7.397 -7.168 575 HB THR 610 HB THR 610 0.181 9.258 -8.617 576 HG1 THR 610 HG1 THR 610 1.770 10.353 -9.696 577 HG21 THR 610 HG21 THR 610 1.147 11.226 -7.042 578 HG22 THR 610 HG22 THR 610 -0.032 10.047 -6.419 579 HG23 THR 610 HG23 THR 610 1.702 9.840 -6.073 580 H GLY 611 H GLY 611 -0.081 6.725 -9.195 581 HA2 GLY 611 HA2 GLY 611 0.276 6.261 -11.579 582 HA3 GLY 611 HA3 GLY 611 1.892 5.726 -11.163 583 H THR 612 H THR 612 1.900 3.535 -11.551 584 HA THR 612 HA THR 612 -0.175 1.976 -10.158 585 HB THR 612 HB THR 612 1.106 1.118 -12.779 586 HG1 THR 612 HG1 THR 612 -0.791 2.264 -13.719 587 HG21 THR 612 HG21 THR 612 -1.672 0.720 -11.548 588 HG22 THR 612 HG22 THR 612 -1.103 0.018 -13.081 589 HG23 THR 612 HG23 THR 612 -0.374 -0.498 -11.541 590 H SER 613 H SER 613 0.576 0.620 -8.661 591 HA SER 613 HA SER 613 3.247 -0.426 -9.077 592 HB2 SER 613 HB2 SER 613 2.324 0.691 -6.396 593 HB3 SER 613 HB3 SER 613 3.909 0.046 -6.772 594 HG SER 613 HG SER 613 4.494 1.949 -7.551 595 H THR 614 H THR 614 3.658 -2.409 -7.709 596 HA THR 614 HA THR 614 1.182 -3.629 -6.712 597 HB THR 614 HB THR 614 3.201 -4.996 -8.565 598 HG1 THR 614 HG1 THR 614 0.547 -3.787 -8.899 599 HG21 THR 614 HG21 THR 614 1.965 -6.677 -7.342 600 HG22 THR 614 HG22 THR 614 0.461 -5.728 -7.429 601 HG23 THR 614 HG23 THR 614 1.113 -6.498 -8.895 602 H TYR 615 H TYR 615 1.391 -4.432 -4.720 603 HA TYR 615 HA TYR 615 4.109 -4.637 -3.672 604 HB2 TYR 615 HB2 TYR 615 1.582 -3.640 -2.809 605 HB3 TYR 615 HB3 TYR 615 1.740 -5.151 -1.935 606 HD1 TYR 615 HD1 TYR 615 4.905 -4.891 -1.839 607 HD2 TYR 615 HD2 TYR 615 1.662 -2.318 -0.758 608 HE1 TYR 615 HE1 TYR 615 6.382 -3.738 -0.121 609 HE2 TYR 615 HE2 TYR 615 3.150 -1.175 0.957 610 HH TYR 615 HH TYR 615 5.226 -1.912 2.313 611 H THR 616 H THR 616 5.088 -6.586 -3.496 612 HA THR 616 HA THR 616 3.330 -8.946 -3.326 613 HB THR 616 HB THR 616 6.004 -8.499 -4.747 614 HG1 THR 616 HG1 THR 616 3.997 -7.854 -5.827 615 HG21 THR 616 HG21 THR 616 5.209 -10.904 -3.555 616 HG22 THR 616 HG22 THR 616 4.525 -11.030 -5.193 617 HG23 THR 616 HG23 THR 616 6.272 -10.771 -4.977 618 HA PRO 617 HA PRO 617 5.318 -9.359 0.515 619 HB2 PRO 617 HB2 PRO 617 3.765 -11.396 1.468 620 HB3 PRO 617 HB3 PRO 617 3.326 -9.706 1.617 621 HG2 PRO 617 HG2 PRO 617 2.232 -11.751 -0.217 622 HG3 PRO 617 HG3 PRO 617 1.541 -10.208 0.245 623 HD2 PRO 617 HD2 PRO 617 2.847 -10.830 -2.232 624 HD3 PRO 617 HD3 PRO 617 2.259 -9.260 -1.723 625 H GLY 618 H GLY 618 5.615 -11.775 1.879 626 HA2 GLY 618 HA2 GLY 618 7.106 -13.406 -0.068 627 HA3 GLY 618 HA3 GLY 618 7.922 -12.774 1.348 628 H SER 619 H SER 619 8.145 -15.322 1.490 629 HA SER 619 HA SER 619 5.881 -16.752 2.280 630 HB2 SER 619 HB2 SER 619 8.350 -17.469 1.484 631 HB3 SER 619 HB3 SER 619 8.626 -17.564 3.212 632 HG SER 619 HG SER 619 6.829 -19.045 3.382 633 H ASN 620 H ASN 620 4.710 -16.137 4.080 634 HA ASN 620 HA ASN 620 4.216 -15.731 6.151 635 HB2 ASN 620 HB2 ASN 620 6.847 -17.131 6.436 636 HB3 ASN 620 HB3 ASN 620 6.378 -16.175 7.829 637 HD21 ASN 620 HD21 ASN 620 5.552 -18.839 5.729 638 HD22 ASN 620 HD22 ASN 620 4.380 -19.606 6.748 639 H GLY 621 H GLY 621 4.406 -13.404 5.184 640 HA2 GLY 621 HA2 GLY 621 5.245 -11.291 5.165 641 HA3 GLY 621 HA3 GLY 621 5.225 -11.537 6.900 642 H ALA 622 H ALA 622 7.314 -12.842 4.219 643 HA ALA 622 HA ALA 622 9.624 -11.900 5.778 644 HB1 ALA 622 HB1 ALA 622 9.252 -14.315 3.966 645 HB2 ALA 622 HB2 ALA 622 10.831 -13.776 4.584 646 HB3 ALA 622 HB3 ALA 622 9.568 -14.311 5.718 647 H ALA 623 H ALA 623 10.177 -9.946 4.894 648 HA ALA 623 HA ALA 623 11.104 -8.590 3.390 649 HB1 ALA 623 HB1 ALA 623 10.806 -10.658 1.204 650 HB2 ALA 623 HB2 ALA 623 12.056 -9.407 1.402 651 HB3 ALA 623 HB3 ALA 623 12.051 -10.836 2.463 652 H GLY 624 H GLY 624 10.476 -7.533 1.105 653 HA2 GLY 624 HA2 GLY 624 7.795 -7.912 0.221 654 HA3 GLY 624 HA3 GLY 624 7.907 -6.552 1.320 655 H THR 625 H THR 625 7.869 -7.285 -1.886 656 HA THR 625 HA THR 625 9.583 -4.982 -2.538 657 HB THR 625 HB THR 625 10.233 -6.229 -4.604 658 HG1 THR 625 HG1 THR 625 8.804 -7.861 -5.039 659 HG21 THR 625 HG21 THR 625 11.102 -6.886 -1.990 660 HG22 THR 625 HG22 THR 625 10.724 -8.454 -2.744 661 HG23 THR 625 HG23 THR 625 11.899 -7.358 -3.510 662 H ILE 626 H ILE 626 8.895 -3.663 -4.295 663 HA ILE 626 HA ILE 626 6.074 -4.106 -4.985 664 HB ILE 626 HB ILE 626 7.077 -1.333 -4.912 665 HG12 ILE 626 HG11 ILE 626 6.362 -1.522 -2.313 666 HG13 ILE 626 HG12 ILE 626 7.125 -3.088 -2.513 667 HG21 ILE 626 HG21 ILE 626 4.540 -2.832 -4.424 668 HG22 ILE 626 HG22 ILE 626 4.755 -1.247 -3.643 669 HG23 ILE 626 HG23 ILE 626 4.850 -1.385 -5.415 670 HD11 ILE 626 HD11 ILE 626 8.433 -0.471 -3.379 671 HD12 ILE 626 HD12 ILE 626 8.706 -1.239 -1.796 672 HD13 ILE 626 HD13 ILE 626 9.197 -2.076 -3.288 673 H ARG 627 H ARG 627 5.603 -4.123 -7.137 674 HA ARG 627 HA ARG 627 7.810 -3.347 -8.869 675 HB2 ARG 627 HB2 ARG 627 6.751 -5.829 -8.724 676 HB3 ARG 627 HB3 ARG 627 5.584 -5.146 -9.838 677 HG2 ARG 627 HG2 ARG 627 8.352 -4.438 -10.571 678 HG3 ARG 627 HG3 ARG 627 8.116 -6.174 -10.504 679 HD2 ARG 627 HD1 ARG 627 5.827 -5.421 -11.839 680 HD3 ARG 627 HD2 ARG 627 6.928 -4.169 -12.378 681 HE ARG 627 HE ARG 627 8.350 -6.595 -12.610 682 HH11 ARG 627 HH22 ARG 627 5.417 -5.173 -14.000 683 HH12 ARG 627 HH21 ARG 627 5.546 -6.052 -15.487 684 HH22 ARG 627 HH1 ARG 627 7.379 -7.564 -15.801 685 H THR 628 H THR 628 7.430 -1.653 -10.284 686 HA THR 628 HA THR 628 4.864 -0.377 -10.221 687 HB THR 628 HB THR 628 6.718 0.627 -12.236 688 HG1 THR 628 HG1 THR 628 8.581 0.637 -10.890 689 HG21 THR 628 HG21 THR 628 5.190 2.070 -10.871 690 HG22 THR 628 HG22 THR 628 6.062 1.583 -9.398 691 HG23 THR 628 HG23 THR 628 6.890 2.545 -10.646 692 H GLY 629 H GLY 629 3.390 -0.052 -11.916 693 HA2 GLY 629 HA2 GLY 629 2.888 -0.379 -14.261 694 HA3 GLY 629 HA3 GLY 629 3.733 -1.913 -14.191 695 H ALA 630 H ALA 630 0.831 -1.144 -14.840 696 HA ALA 630 HA ALA 630 -0.843 -1.971 -12.778 697 HB1 ALA 630 HB1 ALA 630 -2.156 -1.070 -14.382 698 HB2 ALA 630 HB2 ALA 630 -0.977 -1.429 -15.666 699 HB3 ALA 630 HB3 ALA 630 -2.124 -2.682 -15.136 700 HA PRO 631 HA PRO 631 -0.007 -6.235 -12.741 701 HB2 PRO 631 HB2 PRO 631 -1.967 -7.022 -11.006 702 HB3 PRO 631 HB3 PRO 631 -0.429 -6.366 -10.481 703 HG2 PRO 631 HG2 PRO 631 -3.084 -5.066 -10.518 704 HG3 PRO 631 HG3 PRO 631 -1.648 -4.604 -9.626 705 HD2 PRO 631 HD2 PRO 631 -2.662 -3.367 -12.006 706 HD3 PRO 631 HD3 PRO 631 -1.165 -2.981 -11.180 707 H SER 632 H SER 632 -1.325 -8.443 -12.817 708 HA SER 632 HA SER 632 -2.503 -8.323 -15.353 709 HB2 SER 632 HB2 SER 632 -1.867 -10.393 -13.323 710 HB3 SER 632 HB3 SER 632 -3.256 -10.782 -14.318 711 HG SER 632 HG SER 632 -0.946 -9.784 -15.653 712 H GLY 633 H GLY 633 -4.066 -6.493 -14.451 713 HA2 GLY 633 HA2 GLY 633 -6.578 -7.829 -13.645 714 HA3 GLY 633 HA3 GLY 633 -6.050 -6.321 -12.924 Start of MODEL 11 1 H1 GLY 530 H GLY 530 -5.302 21.252 -6.106 2 HA2 GLY 530 HA2 GLY 530 -5.290 21.423 -3.691 3 HA3 GLY 530 HA3 GLY 530 -6.938 21.413 -4.286 4 H GLY 531 H GLY 531 -8.249 20.175 -3.024 5 HA2 GLY 531 HA2 GLY 531 -7.573 18.436 -1.078 6 HA3 GLY 531 HA3 GLY 531 -9.048 18.315 -2.016 7 H THR 532 H THR 532 -9.178 16.850 -3.831 8 HA THR 532 HA THR 532 -7.166 14.726 -3.661 9 HB THR 532 HB THR 532 -9.000 13.397 -4.778 10 HG1 THR 532 HG1 THR 532 -10.002 15.192 -5.888 11 HG21 THR 532 HG21 THR 532 -9.201 14.666 -2.137 12 HG22 THR 532 HG22 THR 532 -10.814 14.402 -2.843 13 HG23 THR 532 HG23 THR 532 -9.700 13.030 -2.630 14 H THR 533 H THR 533 -5.864 14.124 -5.325 15 HA THR 533 HA THR 533 -6.400 15.101 -7.984 16 HB THR 533 HB THR 533 -4.023 16.104 -6.331 17 HG1 THR 533 HG1 THR 533 -5.160 18.113 -6.792 18 HG21 THR 533 HG21 THR 533 -4.648 17.131 -9.084 19 HG22 THR 533 HG22 THR 533 -3.073 16.967 -8.272 20 HG23 THR 533 HG23 THR 533 -3.851 15.542 -9.001 21 H ASN 534 H ASN 534 -3.086 14.518 -7.026 22 HA ASN 534 HA ASN 534 -2.937 12.339 -8.744 23 HB2 ASN 534 HB2 ASN 534 -0.935 12.724 -6.500 24 HB3 ASN 534 HB3 ASN 534 -0.634 12.298 -8.173 25 HD21 ASN 534 HD21 ASN 534 0.610 14.352 -6.603 26 HD22 ASN 534 HD22 ASN 534 0.322 15.876 -7.375 27 H LYS 535 H LYS 535 -2.729 10.047 -8.239 28 HA LYS 535 HA LYS 535 -3.096 9.289 -5.453 29 HB2 LYS 535 HB2 LYS 535 -4.883 8.034 -7.522 30 HB3 LYS 535 HB3 LYS 535 -5.045 8.047 -5.777 31 HG2 LYS 535 HG2 LYS 535 -5.268 10.655 -6.033 32 HG3 LYS 535 HG3 LYS 535 -5.564 10.319 -7.728 33 HD2 LYS 535 HD2 LYS 535 -7.142 8.563 -5.956 34 HD3 LYS 535 HD3 LYS 535 -7.473 10.259 -5.667 35 HE2 LYS 535 HE2 LYS 535 -8.607 10.470 -7.632 36 HE3 LYS 535 HE3 LYS 535 -7.317 9.712 -8.544 37 HZ2 LYS 535 HZ2 LYS 535 -9.664 8.459 -7.332 38 HZ3 LYS 535 HZ3 LYS 535 -8.938 8.120 -8.750 39 H VAL 536 H VAL 536 -2.359 7.135 -4.993 40 HA VAL 536 HA VAL 536 -0.741 6.031 -7.185 41 HB VAL 536 HB VAL 536 -0.115 5.566 -4.299 42 HG11 VAL 536 HG11 VAL 536 1.279 5.428 -6.933 43 HG12 VAL 536 HG12 VAL 536 2.252 5.890 -5.516 44 HG13 VAL 536 HG13 VAL 536 1.372 4.343 -5.525 45 HG21 VAL 536 HG21 VAL 536 1.507 7.684 -4.861 46 HG22 VAL 536 HG22 VAL 536 0.007 8.178 -5.681 47 HG23 VAL 536 HG23 VAL 536 -0.013 7.795 -3.943 48 H THR 537 H THR 537 -1.193 3.971 -7.814 49 HA THR 537 HA THR 537 -3.149 2.519 -6.173 50 HB THR 537 HB THR 537 -2.390 2.472 -9.136 51 HG1 THR 537 HG1 THR 537 -4.070 3.904 -8.983 52 HG21 THR 537 HG21 THR 537 -3.237 0.347 -9.223 53 HG22 THR 537 HG22 THR 537 -3.642 0.385 -7.490 54 HG23 THR 537 HG23 THR 537 -4.790 1.031 -8.687 55 H VAL 538 H VAL 538 -2.620 0.719 -5.096 56 HA VAL 538 HA VAL 538 -0.111 -0.585 -5.887 57 HB VAL 538 HB VAL 538 -0.991 -0.461 -3.029 58 HG11 VAL 538 HG11 VAL 538 1.857 -0.234 -3.794 59 HG12 VAL 538 HG12 VAL 538 1.071 -1.265 -2.575 60 HG13 VAL 538 HG13 VAL 538 1.059 -1.747 -4.288 61 HG21 VAL 538 HG21 VAL 538 -0.930 1.799 -3.123 62 HG22 VAL 538 HG22 VAL 538 0.832 1.552 -3.101 63 HG23 VAL 538 HG23 VAL 538 -0.010 1.820 -4.646 64 H TYR 539 H TYR 539 -0.279 -2.760 -6.216 65 HA TYR 539 HA TYR 539 -2.838 -3.975 -5.427 66 HB2 TYR 539 HB2 TYR 539 -1.069 -3.895 -7.818 67 HB3 TYR 539 HB3 TYR 539 -1.411 -5.547 -7.345 68 HD1 TYR 539 HD2 TYR 539 -3.229 -2.308 -7.905 69 HD2 TYR 539 HD1 TYR 539 -3.298 -6.573 -8.230 70 HE1 TYR 539 HE2 TYR 539 -5.475 -2.188 -9.089 71 HE2 TYR 539 HE1 TYR 539 -5.545 -6.439 -9.413 72 HH TYR 539 HH TYR 539 -6.801 -3.468 -10.562 73 H TYR 540 H TYR 540 -2.705 -5.343 -3.725 74 HA TYR 540 HA TYR 540 -0.136 -6.719 -3.326 75 HB2 TYR 540 HB2 TYR 540 -0.872 -5.147 -1.519 76 HB3 TYR 540 HB3 TYR 540 -2.473 -5.860 -1.513 77 HD1 TYR 540 HD2 TYR 540 -2.865 -8.071 -0.488 78 HD2 TYR 540 HD1 TYR 540 0.994 -6.226 -0.393 79 HE1 TYR 540 HE2 TYR 540 -2.131 -9.684 1.335 80 HE2 TYR 540 HE1 TYR 540 1.715 -7.845 1.431 81 HH TYR 540 HH TYR 540 0.760 -10.421 2.030 82 H LYS 541 H LYS 541 -0.088 -8.952 -3.119 83 HA LYS 541 HA LYS 541 -2.512 -10.294 -3.956 84 HB2 LYS 541 HB2 LYS 541 -0.254 -10.726 -4.986 85 HB3 LYS 541 HB3 LYS 541 0.249 -11.446 -3.470 86 HG2 LYS 541 HG2 LYS 541 -0.936 -13.365 -3.847 87 HG3 LYS 541 HG3 LYS 541 -2.352 -12.494 -4.402 88 HD2 LYS 541 HD2 LYS 541 -1.746 -13.479 -6.408 89 HD3 LYS 541 HD3 LYS 541 -0.797 -12.012 -6.541 90 HE2 LYS 541 HE2 LYS 541 0.743 -13.926 -5.019 91 HE3 LYS 541 HE3 LYS 541 0.139 -14.739 -6.449 92 HZ2 LYS 541 HZ2 LYS 541 1.884 -12.371 -6.319 93 HZ3 LYS 541 HZ3 LYS 541 2.073 -13.721 -7.208 94 H LYS 542 H LYS 542 -3.969 -11.036 -2.519 95 HA LYS 542 HA LYS 542 -3.154 -11.277 0.247 96 HB2 LYS 542 HB2 LYS 542 -5.171 -10.252 0.289 97 HB3 LYS 542 HB3 LYS 542 -5.685 -10.931 -1.242 98 HG2 LYS 542 HG2 LYS 542 -6.504 -12.896 -0.266 99 HG3 LYS 542 HG3 LYS 542 -5.384 -12.826 1.080 100 HD2 LYS 542 HD2 LYS 542 -7.685 -12.322 1.839 101 HD3 LYS 542 HD3 LYS 542 -6.643 -10.932 2.071 102 HE2 LYS 542 HE2 LYS 542 -7.788 -9.656 0.546 103 HE3 LYS 542 HE3 LYS 542 -7.941 -10.977 -0.595 104 HZ2 LYS 542 HZ2 LYS 542 -9.525 -11.311 1.804 105 HZ3 LYS 542 HZ3 LYS 542 -9.978 -10.038 0.896 106 H GLY 543 H GLY 543 -3.216 -14.713 0.787 107 HA2 GLY 543 HA2 GLY 543 -2.047 -12.656 1.878 108 HA3 GLY 543 HA3 GLY 543 -3.637 -11.948 1.674 109 H PHE 544 H PHE 544 -4.632 -11.916 3.649 110 HA PHE 544 HA PHE 544 -4.542 -14.421 5.180 111 HB2 PHE 544 HB2 PHE 544 -4.909 -11.550 6.206 112 HB3 PHE 544 HB3 PHE 544 -4.578 -12.967 7.183 113 HD1 PHE 544 HD1 PHE 544 -3.066 -10.941 4.441 114 HD2 PHE 544 HD2 PHE 544 -2.397 -13.406 7.830 115 HE1 PHE 544 HE1 PHE 544 -0.606 -10.460 4.305 116 HE2 PHE 544 HE2 PHE 544 0.063 -12.925 7.694 117 HZ PHE 544 HZ PHE 544 0.929 -11.458 5.934 118 H ASN 545 H ASN 545 -6.433 -12.529 6.991 119 HA ASN 545 HA ASN 545 -8.810 -13.329 5.511 120 HB2 ASN 545 HB2 ASN 545 -8.738 -12.670 8.484 121 HB3 ASN 545 HB3 ASN 545 -9.922 -13.634 7.624 122 HD21 ASN 545 HD21 ASN 545 -8.483 -15.340 6.140 123 HD22 ASN 545 HD22 ASN 545 -7.519 -16.398 7.115 124 H SER 546 H SER 546 -7.566 -10.896 7.931 125 HA SER 546 HA SER 546 -9.025 -8.870 6.445 126 HB2 SER 546 HB2 SER 546 -9.510 -7.799 8.763 127 HB3 SER 546 HB3 SER 546 -10.504 -9.151 8.260 128 HG SER 546 HG SER 546 -8.348 -9.122 10.170 129 HA PRO 547 HA PRO 547 -4.686 -7.782 7.445 130 HB2 PRO 547 HB2 PRO 547 -3.708 -7.591 4.900 131 HB3 PRO 547 HB3 PRO 547 -3.546 -9.033 5.884 132 HG2 PRO 547 HG2 PRO 547 -5.364 -8.538 3.605 133 HG3 PRO 547 HG3 PRO 547 -4.884 -10.067 4.315 134 HD2 PRO 547 HD2 PRO 547 -7.388 -8.715 4.680 135 HD3 PRO 547 HD3 PRO 547 -6.863 -10.183 5.480 136 H TYR 548 H TYR 548 -3.867 -5.745 7.717 137 HA TYR 548 HA TYR 548 -5.378 -3.722 6.204 138 HB2 TYR 548 HB2 TYR 548 -4.579 -4.152 9.098 139 HB3 TYR 548 HB3 TYR 548 -4.503 -2.497 8.526 140 HD1 TYR 548 HD1 TYR 548 -6.806 -5.409 8.887 141 HD2 TYR 548 HD2 TYR 548 -6.459 -1.176 8.366 142 HE1 TYR 548 HE1 TYR 548 -9.303 -5.147 9.288 143 HE2 TYR 548 HE2 TYR 548 -8.957 -0.929 8.769 144 HH TYR 548 HH TYR 548 -10.737 -2.804 10.238 145 H ILE 549 H ILE 549 -4.222 -1.695 5.771 146 HA ILE 549 HA ILE 549 -1.311 -1.999 5.935 147 HB ILE 549 HB ILE 549 -0.970 -1.515 3.724 148 HG12 ILE 549 HG11 ILE 549 -2.462 0.505 3.741 149 HG13 ILE 549 HG12 ILE 549 -2.434 -0.389 2.234 150 HG21 ILE 549 HG21 ILE 549 -1.780 -3.722 3.744 151 HG22 ILE 549 HG22 ILE 549 -3.469 -3.195 3.934 152 HG23 ILE 549 HG23 ILE 549 -2.622 -2.927 2.392 153 HD11 ILE 549 HD11 ILE 549 -4.701 0.226 3.894 154 HD12 ILE 549 HD12 ILE 549 -4.677 -0.649 2.344 155 HD13 ILE 549 HD13 ILE 549 -4.499 -1.543 3.873 156 H HIS 550 H HIS 550 -0.166 -0.104 6.388 157 HA HIS 550 HA HIS 550 -1.872 2.236 6.841 158 HB2 HIS 550 HB2 HIS 550 -1.073 0.976 8.910 159 HB3 HIS 550 HB3 HIS 550 0.548 1.497 8.497 160 HD1 HIS 550 HD1 HIS 550 -1.703 4.176 7.569 161 HD2 HIS 550 HE2 HIS 550 0.043 2.851 11.146 162 HE1 HIS 550 HE1 HIS 550 -1.858 6.127 9.206 163 H TYR 551 H TYR 551 -1.378 3.844 5.445 164 HA TYR 551 HA TYR 551 1.455 4.151 4.725 165 HB2 TYR 551 HB2 TYR 551 0.089 5.047 2.521 166 HB3 TYR 551 HB3 TYR 551 0.571 3.370 2.678 167 HD1 TYR 551 HD2 TYR 551 -2.250 5.416 4.094 168 HD2 TYR 551 HD1 TYR 551 -1.070 1.932 1.910 169 HE1 TYR 551 HE2 TYR 551 -4.682 4.693 3.918 170 HE2 TYR 551 HE1 TYR 551 -3.505 1.221 1.742 171 HH TYR 551 HH TYR 551 -5.987 3.188 2.152 172 H ARG 552 H ARG 552 1.995 6.382 3.958 173 HA ARG 552 HA ARG 552 0.061 8.369 4.690 174 HB2 ARG 552 HB2 ARG 552 1.171 9.272 6.510 175 HB3 ARG 552 HB3 ARG 552 1.752 7.628 6.682 176 HG2 ARG 552 HG2 ARG 552 3.826 8.157 5.503 177 HG3 ARG 552 HG3 ARG 552 3.229 9.741 5.049 178 HD2 ARG 552 HD2 ARG 552 3.649 10.651 7.131 179 HD3 ARG 552 HD3 ARG 552 3.185 9.192 7.984 180 HE ARG 552 HE ARG 552 5.475 8.308 6.940 181 HH11 ARG 552 HH22 ARG 552 4.828 11.530 8.265 182 HH12 ARG 552 HH21 ARG 552 6.469 11.796 8.749 183 HH22 ARG 552 HH1 ARG 552 8.106 10.095 8.336 184 HA PRO 553 HA PRO 553 2.233 10.643 1.659 185 HB2 PRO 553 HB2 PRO 553 2.229 13.233 2.532 186 HB3 PRO 553 HB3 PRO 553 0.833 12.465 1.801 187 HG2 PRO 553 HG2 PRO 553 1.323 13.097 4.647 188 HG3 PRO 553 HG3 PRO 553 -0.194 12.734 3.849 189 HD2 PRO 553 HD2 PRO 553 1.331 10.970 5.519 190 HD3 PRO 553 HD3 PRO 553 -0.124 10.572 4.627 191 H ALA 554 H ALA 554 4.166 11.635 0.851 192 HA ALA 554 HA ALA 554 6.440 10.723 1.740 193 HB1 ALA 554 HB1 ALA 554 5.636 13.286 0.470 194 HB2 ALA 554 HB2 ALA 554 7.273 13.258 1.168 195 HB3 ALA 554 HB3 ALA 554 6.811 12.062 -0.066 196 H GLY 555 H GLY 555 6.020 14.159 2.694 197 HA2 GLY 555 HA2 GLY 555 6.758 13.384 5.454 198 HA3 GLY 555 HA3 GLY 555 7.461 14.754 4.618 199 H GLY 556 H GLY 556 4.616 13.490 6.290 200 HA2 GLY 556 HA2 GLY 556 3.630 16.207 6.634 201 HA3 GLY 556 HA3 GLY 556 2.565 15.106 5.784 202 H SER 557 H SER 557 1.746 13.178 6.878 203 HA SER 557 HA SER 557 2.357 12.969 9.674 204 HB2 SER 557 HB2 SER 557 0.585 14.560 9.878 205 HB3 SER 557 HB3 SER 557 -0.366 13.796 8.620 206 HG SER 557 HG SER 557 -1.353 12.815 10.250 207 H TRP 558 H TRP 558 0.463 11.148 10.505 208 HA TRP 558 HA TRP 558 0.627 9.040 8.459 209 HB2 TRP 558 HB2 TRP 558 1.202 8.990 11.400 210 HB3 TRP 558 HB3 TRP 558 0.599 7.548 10.609 211 HD1 TRP 558 HD TRP 558 3.756 9.678 10.883 212 HE1 TRP 558 HE1 TRP 558 5.817 8.531 9.699 213 HE3 TRP 558 HE3 TRP 558 1.078 5.990 8.628 214 HZ2 TRP 558 HZ2 TRP 558 6.090 6.260 7.992 215 HZ3 TRP 558 HZ3 TRP 558 2.318 4.349 7.220 216 HH2 TRP 558 HH TRP 558 4.737 4.442 6.885 217 H THR 559 H THR 559 -1.271 7.817 8.135 218 HA THR 559 HA THR 559 -3.696 9.085 8.861 219 HB THR 559 HB THR 559 -3.304 6.257 7.772 220 HG1 THR 559 HG1 THR 559 -2.101 7.470 6.327 221 HG21 THR 559 HG21 THR 559 -5.595 6.518 7.619 222 HG22 THR 559 HG22 THR 559 -5.498 8.279 7.863 223 HG23 THR 559 HG23 THR 559 -5.199 7.586 6.251 224 H ALA 560 H ALA 560 -5.575 7.663 9.794 225 HA ALA 560 HA ALA 560 -4.830 7.151 12.484 226 HB1 ALA 560 HB1 ALA 560 -7.174 6.838 12.825 227 HB2 ALA 560 HB2 ALA 560 -7.025 8.109 11.588 228 HB3 ALA 560 HB3 ALA 560 -7.445 6.447 11.110 229 H ALA 561 H ALA 561 -3.623 5.383 13.000 230 HA ALA 561 HA ALA 561 -3.716 3.018 11.428 231 HB1 ALA 561 HB1 ALA 561 -2.494 3.630 14.150 232 HB2 ALA 561 HB2 ALA 561 -2.174 2.168 13.186 233 HB3 ALA 561 HB3 ALA 561 -1.681 3.765 12.572 234 HA PRO 562 HA PRO 562 -3.663 1.160 11.371 235 HB2 PRO 562 HB2 PRO 562 -5.241 -0.732 10.188 236 HB3 PRO 562 HB3 PRO 562 -4.146 -1.087 11.509 237 HG2 PRO 562 HG2 PRO 562 -7.091 -0.837 11.560 238 HG3 PRO 562 HG3 PRO 562 -6.034 -1.593 12.735 239 HD2 PRO 562 HD2 PRO 562 -7.302 0.970 12.965 240 HD3 PRO 562 HD3 PRO 562 -6.153 0.264 14.085 241 H GLY 563 H GLY 563 -3.335 1.638 9.188 242 HA2 GLY 563 HA2 GLY 563 -4.576 3.832 8.203 243 HA3 GLY 563 HA3 GLY 563 -3.851 2.587 7.205 244 H VAL 564 H VAL 564 -5.149 1.280 5.926 245 HA VAL 564 HA VAL 564 -8.014 1.289 6.510 246 HB VAL 564 HB VAL 564 -7.135 1.559 3.677 247 HG11 VAL 564 HG11 VAL 564 -9.577 1.501 5.084 248 HG12 VAL 564 HG12 VAL 564 -9.385 3.174 4.510 249 HG13 VAL 564 HG13 VAL 564 -9.327 1.823 3.352 250 HG21 VAL 564 HG21 VAL 564 -5.841 3.320 4.773 251 HG22 VAL 564 HG22 VAL 564 -7.172 4.021 3.821 252 HG23 VAL 564 HG23 VAL 564 -7.306 3.910 5.593 253 H LYS 565 H LYS 565 -9.162 -0.522 5.412 254 HA LYS 565 HA LYS 565 -7.440 -2.841 5.411 255 HB2 LYS 565 HB2 LYS 565 -9.401 -3.136 6.666 256 HB3 LYS 565 HB3 LYS 565 -10.418 -2.384 5.453 257 HG2 LYS 565 HG2 LYS 565 -10.752 -4.369 4.406 258 HG3 LYS 565 HG3 LYS 565 -9.027 -4.641 4.258 259 HD2 LYS 565 HD2 LYS 565 -9.020 -6.129 5.979 260 HD3 LYS 565 HD3 LYS 565 -9.884 -5.025 7.030 261 HE2 LYS 565 HE2 LYS 565 -11.449 -6.755 6.842 262 HE3 LYS 565 HE3 LYS 565 -11.992 -5.689 5.561 263 HZ2 LYS 565 HZ2 LYS 565 -11.818 -7.865 4.638 264 HZ3 LYS 565 HZ3 LYS 565 -10.540 -7.056 4.032 265 H MET 566 H MET 566 -6.472 -3.587 3.610 266 HA MET 566 HA MET 566 -6.514 -2.534 1.209 267 HB2 MET 566 HB2 MET 566 -6.419 -5.489 2.003 268 HB3 MET 566 HB3 MET 566 -6.080 -4.975 0.362 269 HG2 MET 566 HG2 MET 566 -4.435 -3.252 1.680 270 HG3 MET 566 HG3 MET 566 -4.463 -4.547 2.861 271 HE1 MET 566 HE1 MET 566 -1.622 -4.032 -0.064 272 HE2 MET 566 HE2 MET 566 -3.031 -3.973 -1.151 273 HE3 MET 566 HE3 MET 566 -2.999 -2.972 0.320 274 H GLN 567 H GLN 567 -7.751 -2.474 -0.680 275 HA GLN 567 HA GLN 567 -10.406 -3.608 -0.375 276 HB2 GLN 567 HB2 GLN 567 -9.282 -1.186 -1.680 277 HB3 GLN 567 HB3 GLN 567 -10.528 -1.992 -2.612 278 HG2 GLN 567 HG2 GLN 567 -11.376 -1.914 0.155 279 HG3 GLN 567 HG3 GLN 567 -10.848 -0.306 -0.301 280 HE21 GLN 567 HE12 GLN 567 -12.992 -2.973 -1.078 281 HE22 GLN 567 HE22 GLN 567 -14.163 -2.084 -1.994 282 H ASP 568 H ASP 568 -10.819 -5.511 -1.403 283 HA ASP 568 HA ASP 568 -9.112 -6.860 -2.941 284 HB2 ASP 568 HB2 ASP 568 -11.849 -7.213 -3.947 285 HB3 ASP 568 HB3 ASP 568 -10.832 -8.351 -3.088 286 HD2 ASP 568 HD ASP 568 -12.718 -8.664 -0.828 287 H ALA 569 H ALA 569 -8.506 -6.878 -5.158 288 HA ALA 569 HA ALA 569 -9.095 -4.555 -6.673 289 HB1 ALA 569 HB1 ALA 569 -7.855 -7.093 -7.755 290 HB2 ALA 569 HB2 ALA 569 -7.495 -5.401 -8.174 291 HB3 ALA 569 HB3 ALA 569 -6.970 -6.061 -6.607 292 H GLU 570 H GLU 570 -9.139 -6.321 -9.236 293 HA GLU 570 HA GLU 570 -11.965 -7.015 -9.056 294 HB2 GLU 570 HB2 GLU 570 -12.324 -6.095 -11.300 295 HB3 GLU 570 HB3 GLU 570 -11.672 -4.853 -10.250 296 HG2 GLU 570 HG2 GLU 570 -9.640 -4.770 -11.362 297 HG3 GLU 570 HG3 GLU 570 -9.646 -6.483 -11.733 298 HE2 GLU 570 HE GLU 570 -9.784 -3.701 -13.383 299 H ILE 571 H ILE 571 -9.004 -8.301 -9.200 300 HA ILE 571 HA ILE 571 -9.293 -9.968 -11.525 301 HB ILE 571 HB ILE 571 -7.281 -9.733 -9.304 302 HG12 ILE 571 HG11 ILE 571 -7.015 -9.370 -12.301 303 HG13 ILE 571 HG12 ILE 571 -7.313 -8.064 -11.171 304 HG21 ILE 571 HG21 ILE 571 -7.620 -11.947 -11.301 305 HG22 ILE 571 HG22 ILE 571 -5.990 -11.446 -10.791 306 HG23 ILE 571 HG23 ILE 571 -7.163 -12.020 -9.582 307 HD11 ILE 571 HD11 ILE 571 -5.194 -9.031 -9.905 308 HD12 ILE 571 HD12 ILE 571 -4.843 -9.778 -11.482 309 HD13 ILE 571 HD13 ILE 571 -4.975 -8.008 -11.346 310 H SER 572 H SER 572 -8.633 -10.966 -8.110 311 HA SER 572 HA SER 572 -10.890 -12.112 -7.401 312 HB2 SER 572 HB2 SER 572 -9.800 -13.600 -9.695 313 HB3 SER 572 HB3 SER 572 -10.033 -14.632 -8.299 314 HG SER 572 HG SER 572 -12.056 -14.694 -9.050 315 H GLY 573 H GLY 573 -9.910 -11.740 -5.368 316 HA2 GLY 573 HA2 GLY 573 -8.981 -12.784 -3.506 317 HA3 GLY 573 HA3 GLY 573 -7.993 -13.795 -4.542 318 H TYR 574 H TYR 574 -8.014 -10.561 -5.698 319 HA TYR 574 HA TYR 574 -5.373 -10.140 -4.494 320 HB2 TYR 574 HB2 TYR 574 -6.884 -9.457 -7.039 321 HB3 TYR 574 HB3 TYR 574 -5.691 -8.287 -6.512 322 HD1 TYR 574 HD1 TYR 574 -6.200 -11.720 -7.757 323 HD2 TYR 574 HD2 TYR 574 -3.312 -8.774 -6.623 324 HE1 TYR 574 HE1 TYR 574 -4.360 -13.090 -8.854 325 HE2 TYR 574 HE2 TYR 574 -1.482 -10.154 -7.724 326 HH TYR 574 HH TYR 574 -0.982 -11.991 -8.740 327 H ALA 575 H ALA 575 -4.772 -7.870 -3.937 328 HA ALA 575 HA ALA 575 -7.136 -6.406 -2.976 329 HB1 ALA 575 HB1 ALA 575 -4.544 -7.176 -1.700 330 HB2 ALA 575 HB2 ALA 575 -5.183 -5.558 -1.324 331 HB3 ALA 575 HB3 ALA 575 -6.165 -7.003 -0.984 332 H LYS 576 H LYS 576 -7.027 -4.074 -3.074 333 HA LYS 576 HA LYS 576 -4.773 -2.914 -4.449 334 HB2 LYS 576 HB2 LYS 576 -5.770 -2.340 -6.433 335 HB3 LYS 576 HB3 LYS 576 -6.479 -3.920 -6.166 336 HG2 LYS 576 HG2 LYS 576 -8.517 -2.903 -5.223 337 HG3 LYS 576 HG3 LYS 576 -7.803 -1.305 -5.308 338 HD2 LYS 576 HD2 LYS 576 -7.748 -2.747 -7.899 339 HD3 LYS 576 HD3 LYS 576 -9.370 -2.485 -7.290 340 HE2 LYS 576 HE2 LYS 576 -8.152 -0.016 -6.815 341 HE3 LYS 576 HE3 LYS 576 -7.407 -0.517 -8.320 342 HZ2 LYS 576 HZ2 LYS 576 -9.367 0.515 -9.006 343 HZ3 LYS 576 HZ3 LYS 576 -9.832 -1.045 -9.015 344 H ILE 577 H ILE 577 -4.396 -0.908 -3.636 345 HA ILE 577 HA ILE 577 -6.670 0.456 -2.389 346 HB ILE 577 HB ILE 577 -5.664 0.730 -0.389 347 HG12 ILE 577 HG11 ILE 577 -3.129 0.527 -0.079 348 HG13 ILE 577 HG12 ILE 577 -3.011 0.543 -1.827 349 HG21 ILE 577 HG21 ILE 577 -4.496 -1.351 0.308 350 HG22 ILE 577 HG22 ILE 577 -5.998 -1.643 -0.602 351 HG23 ILE 577 HG23 ILE 577 -4.421 -1.840 -1.402 352 HD11 ILE 577 HD11 ILE 577 -4.790 2.672 -0.863 353 HD12 ILE 577 HD12 ILE 577 -3.161 2.792 -0.155 354 HD13 ILE 577 HD13 ILE 577 -3.364 2.784 -1.923 355 H THR 578 H THR 578 -6.465 2.796 -2.332 356 HA THR 578 HA THR 578 -4.369 3.809 -4.131 357 HB THR 578 HB THR 578 -7.320 4.626 -4.118 358 HG1 THR 578 HG1 THR 578 -7.256 3.308 -6.107 359 HG21 THR 578 HG21 THR 578 -6.007 6.404 -5.101 360 HG22 THR 578 HG22 THR 578 -4.915 5.245 -5.897 361 HG23 THR 578 HG23 THR 578 -6.590 5.430 -6.472 362 H VAL 579 H VAL 579 -3.440 5.760 -3.602 363 HA VAL 579 HA VAL 579 -4.523 7.063 -1.211 364 HB VAL 579 HB VAL 579 -1.572 6.675 -1.653 365 HG11 VAL 579 HG11 VAL 579 -2.172 8.419 -0.089 366 HG12 VAL 579 HG12 VAL 579 -3.275 7.322 0.777 367 HG13 VAL 579 HG13 VAL 579 -1.519 7.032 0.816 368 HG21 VAL 579 HG21 VAL 579 -3.555 4.741 -0.488 369 HG22 VAL 579 HG22 VAL 579 -2.127 4.435 -1.506 370 HG23 VAL 579 HG23 VAL 579 -1.922 4.853 0.213 371 H ASP 580 H ASP 580 -4.818 9.215 -1.513 372 HA ASP 580 HA ASP 580 -3.991 10.302 -4.003 373 HB2 ASP 580 HB2 ASP 580 -6.158 10.944 -3.123 374 HB3 ASP 580 HB3 ASP 580 -5.469 11.410 -1.581 375 HD2 ASP 580 HD ASP 580 -5.473 13.412 -1.369 376 H ILE 581 H ILE 581 -2.557 12.202 -4.229 377 HA ILE 581 HA ILE 581 -1.193 13.184 -1.908 378 HB ILE 581 HB ILE 581 1.042 12.530 -2.638 379 HG12 ILE 581 HG11 ILE 581 -0.327 10.706 -4.634 380 HG13 ILE 581 HG12 ILE 581 0.462 12.214 -5.052 381 HG21 ILE 581 HG21 ILE 581 0.988 10.264 -1.828 382 HG22 ILE 581 HG22 ILE 581 -0.212 11.228 -0.934 383 HG23 ILE 581 HG23 ILE 581 -0.742 10.119 -2.221 384 HD11 ILE 581 HD11 ILE 581 2.293 10.860 -5.347 385 HD12 ILE 581 HD12 ILE 581 2.454 11.042 -3.584 386 HD13 ILE 581 HD13 ILE 581 1.660 9.600 -4.261 387 H GLY 582 H GLY 582 -2.884 14.583 -3.474 388 HA2 GLY 582 HA2 GLY 582 -2.002 15.673 -5.843 389 HA3 GLY 582 HA3 GLY 582 -3.007 16.488 -4.661 390 H SER 583 H SER 583 -0.646 16.010 -2.624 391 HA SER 583 HA SER 583 1.098 18.076 -3.702 392 HB2 SER 583 HB2 SER 583 -0.535 18.114 -1.201 393 HB3 SER 583 HB3 SER 583 1.116 18.676 -1.028 394 HG SER 583 HG SER 583 -0.909 19.692 -2.827 395 H ALA 584 H ALA 584 1.730 15.384 -3.898 396 HA ALA 584 HA ALA 584 4.078 15.252 -2.285 397 HB1 ALA 584 HB1 ALA 584 1.671 13.992 -1.319 398 HB2 ALA 584 HB2 ALA 584 2.846 12.734 -1.773 399 HB3 ALA 584 HB3 ALA 584 3.298 13.993 -0.598 400 H SER 585 H SER 585 5.621 13.855 -3.224 401 HA SER 585 HA SER 585 4.701 12.710 -5.741 402 HB2 SER 585 HB2 SER 585 7.135 14.217 -4.939 403 HB3 SER 585 HB3 SER 585 7.456 12.818 -5.944 404 HG SER 585 HG SER 585 5.290 14.328 -6.861 405 H GLN 586 H GLN 586 5.420 11.892 -2.594 406 HA GLN 586 HA GLN 586 6.026 9.201 -3.398 407 HB2 GLN 586 HB2 GLN 586 7.949 10.973 -1.945 408 HB3 GLN 586 HB3 GLN 586 7.782 9.346 -1.316 409 HG2 GLN 586 HG2 GLN 586 8.456 8.346 -3.388 410 HG3 GLN 586 HG3 GLN 586 8.190 9.825 -4.290 411 HE21 GLN 586 HE12 GLN 586 10.492 7.867 -3.171 412 HE22 GLN 586 HE22 GLN 586 11.815 8.957 -2.923 413 H LEU 587 H LEU 587 5.141 7.665 -1.972 414 HA LEU 587 HA LEU 587 4.107 8.682 0.560 415 HB2 LEU 587 HB2 LEU 587 2.217 8.974 -0.773 416 HB3 LEU 587 HB3 LEU 587 2.502 7.504 -1.684 417 HG LEU 587 HG LEU 587 2.154 6.706 1.012 418 HD11 LEU 587 HD11 LEU 587 0.173 7.678 1.777 419 HD12 LEU 587 HD12 LEU 587 1.134 9.058 1.194 420 HD13 LEU 587 HD13 LEU 587 -0.192 8.413 0.197 421 HD21 LEU 587 HD21 LEU 587 1.397 5.145 -0.437 422 HD22 LEU 587 HD22 LEU 587 -0.156 5.969 -0.155 423 HD23 LEU 587 HD23 LEU 587 0.804 6.350 -1.605 424 H GLU 588 H GLU 588 4.209 7.192 2.231 425 HA GLU 588 HA GLU 588 5.514 4.710 1.479 426 HB2 GLU 588 HB2 GLU 588 6.062 4.616 3.974 427 HB3 GLU 588 HB3 GLU 588 6.811 5.922 3.078 428 HG2 GLU 588 HG2 GLU 588 4.135 6.594 4.195 429 HG3 GLU 588 HG3 GLU 588 5.348 6.238 5.409 430 HE2 GLU 588 HE GLU 588 5.607 9.487 3.116 431 H ALA 589 H ALA 589 4.710 2.663 2.161 432 HA ALA 589 HA ALA 589 2.172 2.687 3.600 433 HB1 ALA 589 HB1 ALA 589 1.918 2.708 1.000 434 HB2 ALA 589 HB2 ALA 589 2.487 1.024 1.096 435 HB3 ALA 589 HB3 ALA 589 0.999 1.511 1.943 436 H ALA 590 H ALA 590 1.983 0.973 5.021 437 HA ALA 590 HA ALA 590 4.111 -1.050 4.839 438 HB1 ALA 590 HB1 ALA 590 3.085 -0.695 7.522 439 HB2 ALA 590 HB2 ALA 590 4.750 -0.505 6.922 440 HB3 ALA 590 HB3 ALA 590 3.622 0.871 6.869 441 H PHE 591 H PHE 591 3.508 -3.191 5.739 442 HA PHE 591 HA PHE 591 0.607 -3.604 5.537 443 HB2 PHE 591 HB2 PHE 591 2.975 -5.443 4.842 444 HB3 PHE 591 HB3 PHE 591 1.288 -5.853 4.602 445 HD1 PHE 591 HD2 PHE 591 3.825 -3.321 3.584 446 HD2 PHE 591 HD1 PHE 591 0.289 -5.427 2.550 447 HE1 PHE 591 HE2 PHE 591 3.914 -2.338 1.276 448 HE2 PHE 591 HE1 PHE 591 0.378 -4.443 0.242 449 HZ PHE 591 HZ PHE 591 2.189 -2.911 -0.367 450 H ASN 592 H ASN 592 -0.374 -4.505 7.294 451 HA ASN 592 HA ASN 592 1.292 -6.094 9.050 452 HB2 ASN 592 HB2 ASN 592 0.054 -4.918 11.022 453 HB3 ASN 592 HB3 ASN 592 1.346 -4.024 10.248 454 HD21 ASN 592 HD21 ASN 592 -2.020 -4.249 10.889 455 HD22 ASN 592 HD22 ASN 592 -2.540 -2.771 10.151 456 H ASP 593 H ASP 593 -0.164 -7.393 10.620 457 HA ASP 593 HA ASP 593 -2.447 -8.276 9.154 458 HB2 ASP 593 HB2 ASP 593 -2.589 -9.997 10.979 459 HB3 ASP 593 HB3 ASP 593 -1.019 -9.948 10.202 460 HD2 ASP 593 HD ASP 593 -1.145 -9.813 14.005 461 H GLY 594 H GLY 594 -1.613 -6.378 12.056 462 HA2 GLY 594 HA2 GLY 594 -4.173 -5.212 12.262 463 HA3 GLY 594 HA3 GLY 594 -4.022 -6.481 13.460 464 H ASN 595 H ASN 595 -1.363 -6.389 14.250 465 HA ASN 595 HA ASN 595 -0.183 -3.987 14.559 466 HB2 ASN 595 HB2 ASN 595 -2.065 -3.034 15.734 467 HB3 ASN 595 HB3 ASN 595 -2.323 -4.491 16.672 468 HD21 ASN 595 HD21 ASN 595 0.025 -1.914 16.035 469 HD22 ASN 595 HD22 ASN 595 0.708 -1.829 17.625 470 H ASN 596 H ASN 596 1.274 -6.001 14.294 471 HA ASN 596 HA ASN 596 2.631 -6.510 16.603 472 HB2 ASN 596 HB2 ASN 596 0.360 -7.935 16.873 473 HB3 ASN 596 HB3 ASN 596 1.201 -9.069 15.834 474 HD21 ASN 596 HD21 ASN 596 0.604 -8.215 18.945 475 HD22 ASN 596 HD22 ASN 596 1.949 -8.938 19.762 476 H ASN 597 H ASN 597 1.425 -7.694 13.435 477 HA ASN 597 HA ASN 597 4.099 -8.717 12.893 478 HB2 ASN 597 HB2 ASN 597 1.452 -9.356 11.487 479 HB3 ASN 597 HB3 ASN 597 3.001 -10.070 11.086 480 HD21 ASN 597 HD21 ASN 597 0.389 -11.122 12.147 481 HD22 ASN 597 HD22 ASN 597 0.795 -12.084 13.529 482 H TRP 598 H TRP 598 4.939 -6.603 12.236 483 HA TRP 598 HA TRP 598 3.553 -5.339 9.991 484 HB2 TRP 598 HB2 TRP 598 5.695 -4.347 11.876 485 HB3 TRP 598 HB3 TRP 598 5.154 -3.462 10.463 486 HD1 TRP 598 HD TRP 598 3.708 -4.753 13.839 487 HE1 TRP 598 HE1 TRP 598 1.676 -3.259 14.617 488 HE3 TRP 598 HE3 TRP 598 3.530 -1.886 9.643 489 HZ2 TRP 598 HZ2 TRP 598 0.255 -1.094 13.417 490 HZ3 TRP 598 HZ3 TRP 598 1.790 -0.105 9.526 491 HH2 TRP 598 HH TRP 598 0.189 0.313 11.325 492 H ASP 599 H ASP 599 4.431 -5.414 7.937 493 HA ASP 599 HA ASP 599 7.046 -6.694 7.770 494 HB2 ASP 599 HB2 ASP 599 4.505 -6.981 6.204 495 HB3 ASP 599 HB3 ASP 599 5.986 -7.029 5.268 496 HD2 ASP 599 HD ASP 599 7.601 -8.519 6.331 497 H SER 600 H SER 600 7.581 -4.194 8.111 498 HA SER 600 HA SER 600 7.300 -2.798 5.575 499 HB2 SER 600 HB2 SER 600 8.322 -1.522 8.123 500 HB3 SER 600 HB3 SER 600 7.526 -0.759 6.761 501 HG SER 600 HG SER 600 5.665 -2.362 7.522 502 H ASN 601 H ASN 601 9.740 -2.802 8.280 503 HA ASN 601 HA ASN 601 11.756 -4.015 6.933 504 HB2 ASN 601 HB2 ASN 601 11.749 -2.217 5.266 505 HB3 ASN 601 HB3 ASN 601 11.724 -0.985 6.513 506 HD21 ASN 601 HD21 ASN 601 13.611 -1.989 4.265 507 HD22 ASN 601 HD22 ASN 601 15.184 -1.968 4.989 508 H ASN 602 H ASN 602 11.019 -0.993 8.819 509 HA ASN 602 HA ASN 602 11.830 -1.947 11.221 510 HB2 ASN 602 HB2 ASN 602 14.124 -1.652 9.681 511 HB3 ASN 602 HB3 ASN 602 14.050 -0.089 10.471 512 HD21 ASN 602 HD21 ASN 602 16.080 -0.935 11.387 513 HD22 ASN 602 HD22 ASN 602 16.024 -1.856 12.853 514 H THR 603 H THR 603 12.869 1.054 9.418 515 HA THR 603 HA THR 603 10.688 2.581 10.493 516 HB THR 603 HB THR 603 12.164 2.553 12.465 517 HG1 THR 603 HG1 THR 603 11.870 4.754 12.520 518 HG21 THR 603 HG21 THR 603 14.403 2.197 11.929 519 HG22 THR 603 HG22 THR 603 14.266 3.051 10.373 520 HG23 THR 603 HG23 THR 603 14.420 3.977 11.886 521 H LYS 604 H LYS 604 12.052 1.700 7.904 522 HA LYS 604 HA LYS 604 12.431 4.423 6.867 523 HB2 LYS 604 HB2 LYS 604 13.999 1.920 6.434 524 HB3 LYS 604 HB3 LYS 604 13.764 2.972 5.052 525 HG2 LYS 604 HG2 LYS 604 15.409 4.320 5.831 526 HG3 LYS 604 HG3 LYS 604 14.413 4.702 7.220 527 HD2 LYS 604 HD2 LYS 604 15.913 3.632 8.539 528 HD3 LYS 604 HD3 LYS 604 15.466 2.123 7.767 529 HE2 LYS 604 HE2 LYS 604 17.326 3.799 6.158 530 HE3 LYS 604 HE3 LYS 604 17.995 3.256 7.683 531 HZ2 LYS 604 HZ2 LYS 604 17.280 1.679 5.361 532 HZ3 LYS 604 HZ3 LYS 604 18.408 1.380 6.496 533 H ASN 605 H ASN 605 10.504 1.610 6.978 534 HA ASN 605 HA ASN 605 9.017 0.717 5.624 535 HB2 ASN 605 HB2 ASN 605 8.170 3.513 4.813 536 HB3 ASN 605 HB3 ASN 605 7.163 2.163 5.299 537 HD21 ASN 605 HD21 ASN 605 6.969 4.778 6.299 538 HD22 ASN 605 HD22 ASN 605 7.332 4.778 7.993 539 H TYR 606 H TYR 606 7.714 2.114 3.268 540 HA TYR 606 HA TYR 606 9.967 2.015 1.376 541 HB2 TYR 606 HB2 TYR 606 7.082 0.944 1.317 542 HB3 TYR 606 HB3 TYR 606 8.042 1.067 -0.144 543 HD1 TYR 606 HD2 TYR 606 10.074 -0.357 -0.432 544 HD2 TYR 606 HD1 TYR 606 7.442 -0.828 2.908 545 HE1 TYR 606 HE2 TYR 606 11.064 -2.652 0.034 546 HE2 TYR 606 HE1 TYR 606 8.441 -3.121 3.363 547 HH TYR 606 HH TYR 606 10.140 -4.809 1.192 548 H LEU 607 H LEU 607 9.499 3.166 -0.721 549 HA LEU 607 HA LEU 607 7.640 5.394 -0.266 550 HB2 LEU 607 HB2 LEU 607 9.789 6.205 -1.947 551 HB3 LEU 607 HB3 LEU 607 9.266 6.867 -0.411 552 HG LEU 607 HG LEU 607 11.606 6.317 -0.298 553 HD11 LEU 607 HD11 LEU 607 11.390 5.706 1.825 554 HD12 LEU 607 HD12 LEU 607 9.668 5.388 1.505 555 HD13 LEU 607 HD13 LEU 607 10.858 4.072 1.360 556 HD21 LEU 607 HD21 LEU 607 11.473 3.421 -0.443 557 HD22 LEU 607 HD22 LEU 607 10.959 4.179 -1.970 558 HD23 LEU 607 HD23 LEU 607 12.554 4.562 -1.279 559 H PHE 608 H PHE 608 6.096 5.571 -1.801 560 HA PHE 608 HA PHE 608 6.711 4.401 -4.420 561 HB2 PHE 608 HB2 PHE 608 3.974 4.413 -3.046 562 HB3 PHE 608 HB3 PHE 608 4.474 3.418 -4.399 563 HD1 PHE 608 HD1 PHE 608 6.622 1.879 -3.794 564 HD2 PHE 608 HD2 PHE 608 3.772 3.354 -1.017 565 HE1 PHE 608 HE1 PHE 608 7.202 0.020 -2.210 566 HE2 PHE 608 HE2 PHE 608 4.353 1.495 0.566 567 HZ PHE 608 HZ PHE 608 6.061 -0.150 -0.049 568 H SER 609 H SER 609 5.789 5.468 -6.237 569 HA SER 609 HA SER 609 4.720 8.091 -5.549 570 HB2 SER 609 HB2 SER 609 6.855 8.252 -6.714 571 HB3 SER 609 HB3 SER 609 6.317 7.152 -7.967 572 HG SER 609 HG SER 609 5.415 9.846 -7.455 573 H THR 610 H THR 610 3.109 8.998 -7.185 574 HA THR 610 HA THR 610 0.928 7.385 -7.484 575 HB THR 610 HB THR 610 0.191 9.168 -9.100 576 HG1 THR 610 HG1 THR 610 1.830 10.408 -10.018 577 HG21 THR 610 HG21 THR 610 1.690 11.003 -7.428 578 HG22 THR 610 HG22 THR 610 -0.040 10.593 -7.331 579 HG23 THR 610 HG23 THR 610 1.155 9.632 -6.426 580 H GLY 611 H GLY 611 -0.172 6.731 -9.601 581 HA2 GLY 611 HA2 GLY 611 0.233 6.016 -11.876 582 HA3 GLY 611 HA3 GLY 611 1.829 5.485 -11.387 583 H THR 612 H THR 612 1.768 3.272 -11.684 584 HA THR 612 HA THR 612 -0.259 1.841 -10.108 585 HB THR 612 HB THR 612 0.699 1.090 -12.918 586 HG1 THR 612 HG1 THR 612 -0.981 2.407 -13.531 587 HG21 THR 612 HG21 THR 612 -1.458 -0.273 -12.825 588 HG22 THR 612 HG22 THR 612 -0.191 -0.855 -11.719 589 HG23 THR 612 HG23 THR 612 -1.549 0.106 -11.088 590 H SER 613 H SER 613 0.525 0.330 -8.760 591 HA SER 613 HA SER 613 3.141 -0.739 -9.375 592 HB2 SER 613 HB2 SER 613 3.133 1.331 -7.702 593 HB3 SER 613 HB3 SER 613 2.591 0.140 -6.537 594 HG SER 613 HG SER 613 5.017 0.537 -6.835 595 H THR 614 H THR 614 3.605 -2.754 -8.087 596 HA THR 614 HA THR 614 1.197 -3.916 -6.878 597 HB THR 614 HB THR 614 2.985 -5.362 -8.895 598 HG1 THR 614 HG1 THR 614 1.824 -4.088 -10.287 599 HG21 THR 614 HG21 THR 614 1.512 -7.121 -8.680 600 HG22 THR 614 HG22 THR 614 1.094 -6.374 -7.119 601 HG23 THR 614 HG23 THR 614 0.106 -6.036 -8.561 602 H TYR 615 H TYR 615 1.608 -4.574 -4.872 603 HA TYR 615 HA TYR 615 4.403 -5.019 -4.157 604 HB2 TYR 615 HB2 TYR 615 2.507 -3.519 -2.992 605 HB3 TYR 615 HB3 TYR 615 1.901 -5.048 -2.387 606 HD1 TYR 615 HD2 TYR 615 3.334 -6.436 -0.853 607 HD2 TYR 615 HD1 TYR 615 4.431 -2.469 -2.024 608 HE1 TYR 615 HE2 TYR 615 4.974 -6.310 1.085 609 HE2 TYR 615 HE1 TYR 615 6.067 -2.357 -0.081 610 HH TYR 615 HH TYR 615 7.334 -4.661 1.341 611 H THR 616 H THR 616 5.208 -7.050 -4.049 612 HA THR 616 HA THR 616 3.265 -9.233 -3.675 613 HB THR 616 HB THR 616 6.010 -9.188 -5.039 614 HG1 THR 616 HG1 THR 616 4.691 -9.037 -6.894 615 HG21 THR 616 HG21 THR 616 4.783 -11.357 -6.047 616 HG22 THR 616 HG22 THR 616 5.732 -11.472 -4.545 617 HG23 THR 616 HG23 THR 616 3.958 -11.338 -4.469 618 HA PRO 617 HA PRO 617 5.285 -9.630 0.164 619 HB2 PRO 617 HB2 PRO 617 3.477 -11.339 1.293 620 HB3 PRO 617 HB3 PRO 617 3.305 -9.596 1.339 621 HG2 PRO 617 HG2 PRO 617 1.848 -11.559 -0.323 622 HG3 PRO 617 HG3 PRO 617 1.416 -9.902 0.051 623 HD2 PRO 617 HD2 PRO 617 2.523 -10.874 -2.411 624 HD3 PRO 617 HD3 PRO 617 2.199 -9.203 -1.994 625 H GLY 618 H GLY 618 5.761 -11.667 1.696 626 HA2 GLY 618 HA2 GLY 618 7.069 -13.535 -0.164 627 HA3 GLY 618 HA3 GLY 618 7.536 -13.206 1.492 628 H SER 619 H SER 619 7.490 -15.505 1.974 629 HA SER 619 HA SER 619 4.779 -16.574 2.028 630 HB2 SER 619 HB2 SER 619 7.455 -17.776 1.501 631 HB3 SER 619 HB3 SER 619 6.401 -18.744 2.512 632 HG SER 619 HG SER 619 4.807 -17.941 0.566 633 H ASN 620 H ASN 620 7.929 -16.483 3.840 634 HA ASN 620 HA ASN 620 6.434 -17.091 6.247 635 HB2 ASN 620 HB2 ASN 620 9.251 -17.447 5.325 636 HB3 ASN 620 HB3 ASN 620 9.111 -16.934 6.994 637 HD21 ASN 620 HD21 ASN 620 7.998 -19.309 4.629 638 HD22 ASN 620 HD22 ASN 620 7.703 -20.614 5.730 639 H GLY 621 H GLY 621 5.550 -14.736 5.956 640 HA2 GLY 621 HA2 GLY 621 5.659 -12.488 6.288 641 HA3 GLY 621 HA3 GLY 621 6.343 -13.003 7.817 642 H ALA 622 H ALA 622 7.592 -12.955 4.396 643 HA ALA 622 HA ALA 622 9.851 -11.367 5.409 644 HB1 ALA 622 HB1 ALA 622 11.356 -12.746 4.354 645 HB2 ALA 622 HB2 ALA 622 10.082 -13.947 4.673 646 HB3 ALA 622 HB3 ALA 622 10.211 -13.192 3.067 647 H ALA 623 H ALA 623 9.416 -9.322 4.696 648 HA ALA 623 HA ALA 623 7.802 -8.505 2.731 649 HB1 ALA 623 HB1 ALA 623 8.979 -6.452 2.791 650 HB2 ALA 623 HB2 ALA 623 9.288 -7.184 4.383 651 HB3 ALA 623 HB3 ALA 623 10.535 -7.253 3.115 652 H GLY 624 H GLY 624 7.882 -8.120 0.474 653 HA2 GLY 624 HA2 GLY 624 9.971 -9.682 -0.913 654 HA3 GLY 624 HA3 GLY 624 8.333 -9.429 -1.482 655 H THR 625 H THR 625 8.130 -7.951 -3.099 656 HA THR 625 HA THR 625 9.583 -5.456 -2.920 657 HB THR 625 HB THR 625 10.420 -5.904 -5.362 658 HG1 THR 625 HG1 THR 625 9.001 -7.943 -5.286 659 HG21 THR 625 HG21 THR 625 12.438 -7.088 -4.609 660 HG22 THR 625 HG22 THR 625 11.962 -5.939 -3.335 661 HG23 THR 625 HG23 THR 625 11.594 -7.671 -3.154 662 H ILE 626 H ILE 626 8.943 -3.989 -4.826 663 HA ILE 626 HA ILE 626 6.149 -4.595 -5.505 664 HB ILE 626 HB ILE 626 7.005 -1.772 -5.251 665 HG12 ILE 626 HG11 ILE 626 6.282 -2.127 -2.699 666 HG13 ILE 626 HG12 ILE 626 7.021 -3.693 -2.966 667 HG21 ILE 626 HG21 ILE 626 4.776 -1.389 -4.748 668 HG22 ILE 626 HG22 ILE 626 4.688 -2.754 -5.886 669 HG23 ILE 626 HG23 ILE 626 4.517 -3.041 -4.138 670 HD11 ILE 626 HD11 ILE 626 8.539 -1.308 -3.974 671 HD12 ILE 626 HD12 ILE 626 8.455 -1.534 -2.211 672 HD13 ILE 626 HD13 ILE 626 9.144 -2.812 -3.240 673 H ARG 627 H ARG 627 5.668 -4.590 -7.646 674 HA ARG 627 HA ARG 627 7.778 -3.580 -9.372 675 HB2 ARG 627 HB2 ARG 627 7.015 -6.074 -9.445 676 HB3 ARG 627 HB3 ARG 627 5.542 -5.487 -10.191 677 HG2 ARG 627 HG2 ARG 627 6.615 -5.528 -12.188 678 HG3 ARG 627 HG3 ARG 627 7.601 -4.192 -11.627 679 HD2 ARG 627 HD1 ARG 627 9.235 -5.810 -10.636 680 HD3 ARG 627 HD2 ARG 627 8.247 -7.149 -11.186 681 HE ARG 627 HE ARG 627 9.041 -6.823 -13.371 682 HH11 ARG 627 HH22 ARG 627 9.834 -3.978 -11.413 683 HH12 ARG 627 HH21 ARG 627 10.839 -3.266 -12.631 684 HH22 ARG 627 HH1 ARG 627 11.139 -4.404 -14.719 685 H THR 628 H THR 628 7.317 -1.851 -10.730 686 HA THR 628 HA THR 628 4.729 -0.627 -10.503 687 HB THR 628 HB THR 628 6.498 0.529 -12.512 688 HG1 THR 628 HG1 THR 628 8.373 -0.127 -11.536 689 HG21 THR 628 HG21 THR 628 5.184 1.268 -9.966 690 HG22 THR 628 HG22 THR 628 6.813 1.967 -10.123 691 HG23 THR 628 HG23 THR 628 5.581 2.294 -11.365 692 H GLY 629 H GLY 629 3.211 -0.222 -12.150 693 HA2 GLY 629 HA2 GLY 629 2.634 -0.439 -14.484 694 HA3 GLY 629 HA3 GLY 629 3.522 -1.949 -14.530 695 H ALA 630 H ALA 630 0.567 -1.182 -15.011 696 HA ALA 630 HA ALA 630 -0.992 -2.221 -12.949 697 HB1 ALA 630 HB1 ALA 630 -2.630 -2.582 -14.929 698 HB2 ALA 630 HB2 ALA 630 -2.071 -0.924 -14.601 699 HB3 ALA 630 HB3 ALA 630 -1.351 -1.858 -15.935 700 HA PRO 631 HA PRO 631 0.029 -6.437 -13.375 701 HB2 PRO 631 HB2 PRO 631 -1.583 -7.410 -11.394 702 HB3 PRO 631 HB3 PRO 631 0.013 -6.751 -11.094 703 HG2 PRO 631 HG2 PRO 631 -2.626 -5.530 -10.564 704 HG3 PRO 631 HG3 PRO 631 -1.063 -5.096 -9.901 705 HD2 PRO 631 HD2 PRO 631 -2.497 -3.710 -11.962 706 HD3 PRO 631 HD3 PRO 631 -0.885 -3.346 -11.381 707 H SER 632 H SER 632 -0.779 -8.471 -14.124 708 HA SER 632 HA SER 632 -3.545 -8.280 -14.951 709 HB2 SER 632 HB2 SER 632 -1.159 -8.395 -16.756 710 HB3 SER 632 HB3 SER 632 -2.499 -9.438 -17.188 711 HG SER 632 HG SER 632 -3.893 -7.625 -17.297 712 H GLY 633 H GLY 633 -3.668 -9.841 -13.100 713 HA2 GLY 633 HA2 GLY 633 -4.173 -12.021 -12.611 714 HA3 GLY 633 HA3 GLY 633 -3.347 -12.559 -14.059 Start of MODEL 12 1 H1 GLY 530 H GLY 530 -10.961 22.723 -3.856 2 HA2 GLY 530 HA2 GLY 530 -11.315 21.046 -5.869 3 HA3 GLY 530 HA3 GLY 530 -10.831 22.474 -6.761 4 H GLY 531 H GLY 531 -8.712 22.297 -7.347 5 HA2 GLY 531 HA2 GLY 531 -6.456 22.463 -6.835 6 HA3 GLY 531 HA3 GLY 531 -6.748 21.803 -5.238 7 H THR 532 H THR 532 -6.525 20.996 -8.733 8 HA THR 532 HA THR 532 -6.957 18.361 -8.837 9 HB THR 532 HB THR 532 -4.406 19.518 -10.017 10 HG1 THR 532 HG1 THR 532 -5.694 21.115 -10.840 11 HG21 THR 532 HG21 THR 532 -6.568 18.355 -11.703 12 HG22 THR 532 HG22 THR 532 -4.816 18.043 -11.742 13 HG23 THR 532 HG23 THR 532 -5.844 17.202 -10.556 14 H THR 533 H THR 533 -6.166 16.447 -8.119 15 HA THR 533 HA THR 533 -3.625 16.534 -6.655 16 HB THR 533 HB THR 533 -4.914 14.972 -4.971 17 HG1 THR 533 HG1 THR 533 -7.034 16.598 -6.174 18 HG21 THR 533 HG21 THR 533 -4.804 16.846 -3.671 19 HG22 THR 533 HG22 THR 533 -4.703 17.868 -5.125 20 HG23 THR 533 HG23 THR 533 -6.292 17.435 -4.450 21 H ASN 534 H ASN 534 -2.697 14.338 -6.291 22 HA ASN 534 HA ASN 534 -3.332 12.745 -8.637 23 HB2 ASN 534 HB2 ASN 534 -0.866 13.625 -7.444 24 HB3 ASN 534 HB3 ASN 534 -0.921 11.886 -7.237 25 HD21 ASN 534 HD21 ASN 534 0.574 13.848 -9.021 26 HD22 ASN 534 HD22 ASN 534 0.445 13.196 -10.621 27 H LYS 535 H LYS 535 -2.708 10.239 -8.160 28 HA LYS 535 HA LYS 535 -3.345 9.476 -5.437 29 HB2 LYS 535 HB2 LYS 535 -5.088 8.674 -7.786 30 HB3 LYS 535 HB3 LYS 535 -5.169 7.963 -6.187 31 HG2 LYS 535 HG2 LYS 535 -5.475 10.424 -5.331 32 HG3 LYS 535 HG3 LYS 535 -5.821 10.818 -7.003 33 HD2 LYS 535 HD2 LYS 535 -7.306 8.430 -6.190 34 HD3 LYS 535 HD3 LYS 535 -7.623 9.750 -5.083 35 HE2 LYS 535 HE2 LYS 535 -7.716 10.203 -8.088 36 HE3 LYS 535 HE3 LYS 535 -9.100 9.534 -7.246 37 HZ2 LYS 535 HZ2 LYS 535 -7.901 12.204 -6.915 38 HZ3 LYS 535 HZ3 LYS 535 -9.468 11.816 -7.127 39 H VAL 536 H VAL 536 -2.743 7.260 -4.971 40 HA VAL 536 HA VAL 536 -1.025 6.124 -7.069 41 HB VAL 536 HB VAL 536 -0.411 5.576 -4.226 42 HG11 VAL 536 HG11 VAL 536 1.601 6.521 -6.220 43 HG12 VAL 536 HG12 VAL 536 1.709 5.226 -5.004 44 HG13 VAL 536 HG13 VAL 536 0.817 4.951 -6.519 45 HG21 VAL 536 HG21 VAL 536 -0.218 8.328 -5.437 46 HG22 VAL 536 HG22 VAL 536 -0.746 7.842 -3.808 47 HG23 VAL 536 HG23 VAL 536 0.979 7.780 -4.239 48 H THR 537 H THR 537 -1.925 4.291 -7.845 49 HA THR 537 HA THR 537 -3.570 2.714 -5.984 50 HB THR 537 HB THR 537 -3.519 2.970 -9.036 51 HG1 THR 537 HG1 THR 537 -4.590 4.688 -7.877 52 HG21 THR 537 HG21 THR 537 -4.629 0.971 -9.092 53 HG22 THR 537 HG22 THR 537 -4.580 0.847 -7.317 54 HG23 THR 537 HG23 THR 537 -5.906 1.730 -8.111 55 H VAL 538 H VAL 538 -2.775 0.883 -5.182 56 HA VAL 538 HA VAL 538 -0.733 -0.479 -6.793 57 HB VAL 538 HB VAL 538 0.385 0.692 -5.016 58 HG11 VAL 538 HG11 VAL 538 -1.303 1.146 -3.425 59 HG12 VAL 538 HG12 VAL 538 -1.704 -0.577 -3.232 60 HG13 VAL 538 HG13 VAL 538 -0.164 0.055 -2.600 61 HG21 VAL 538 HG21 VAL 538 0.341 -2.045 -3.841 62 HG22 VAL 538 HG22 VAL 538 0.733 -1.915 -5.572 63 HG23 VAL 538 HG23 VAL 538 1.713 -1.043 -4.370 64 H TYR 539 H TYR 539 -0.887 -2.738 -6.864 65 HA TYR 539 HA TYR 539 -3.359 -3.786 -5.673 66 HB2 TYR 539 HB2 TYR 539 -1.671 -4.202 -8.167 67 HB3 TYR 539 HB3 TYR 539 -2.527 -5.605 -7.559 68 HD1 TYR 539 HD2 TYR 539 -3.738 -2.080 -7.478 69 HD2 TYR 539 HD1 TYR 539 -4.119 -5.943 -9.277 70 HE1 TYR 539 HE2 TYR 539 -5.846 -1.320 -8.678 71 HE2 TYR 539 HE1 TYR 539 -6.227 -5.170 -10.471 72 HH TYR 539 HH TYR 539 -7.113 -1.883 -10.617 73 H TYR 540 H TYR 540 -3.259 -5.389 -4.162 74 HA TYR 540 HA TYR 540 -0.603 -6.574 -3.715 75 HB2 TYR 540 HB2 TYR 540 -1.255 -5.327 -1.763 76 HB3 TYR 540 HB3 TYR 540 -2.960 -5.629 -2.033 77 HD1 TYR 540 HD2 TYR 540 0.113 -7.709 -1.409 78 HD2 TYR 540 HD1 TYR 540 -3.982 -6.947 -0.433 79 HE1 TYR 540 HE2 TYR 540 0.166 -9.583 0.309 80 HE2 TYR 540 HE1 TYR 540 -3.915 -8.822 1.282 81 HH TYR 540 HH TYR 540 -1.024 -10.187 2.347 82 H LYS 541 H LYS 541 -0.404 -8.809 -3.527 83 HA LYS 541 HA LYS 541 -2.720 -10.291 -4.465 84 HB2 LYS 541 HB2 LYS 541 -0.478 -10.517 -5.553 85 HB3 LYS 541 HB3 LYS 541 0.143 -11.208 -4.067 86 HG2 LYS 541 HG2 LYS 541 -1.396 -13.094 -4.203 87 HG3 LYS 541 HG3 LYS 541 -2.285 -12.351 -5.517 88 HD2 LYS 541 HD2 LYS 541 -0.184 -12.454 -6.933 89 HD3 LYS 541 HD3 LYS 541 0.612 -13.313 -5.629 90 HE2 LYS 541 HE2 LYS 541 -1.543 -14.908 -5.814 91 HE3 LYS 541 HE3 LYS 541 -1.619 -14.249 -7.436 92 HZ2 LYS 541 HZ2 LYS 541 0.619 -15.768 -6.233 93 HZ3 LYS 541 HZ3 LYS 541 -0.228 -16.139 -7.574 94 H LYS 542 H LYS 542 -4.125 -11.081 -3.000 95 HA LYS 542 HA LYS 542 -3.275 -11.396 -0.271 96 HB2 LYS 542 HB2 LYS 542 -5.390 -10.537 -0.289 97 HB3 LYS 542 HB3 LYS 542 -5.848 -11.361 -1.765 98 HG2 LYS 542 HG2 LYS 542 -6.520 -13.278 -0.659 99 HG3 LYS 542 HG3 LYS 542 -5.263 -13.152 0.555 100 HD2 LYS 542 HD2 LYS 542 -7.452 -12.767 1.602 101 HD3 LYS 542 HD3 LYS 542 -6.510 -11.290 1.662 102 HE2 LYS 542 HE2 LYS 542 -8.030 -10.163 0.397 103 HE3 LYS 542 HE3 LYS 542 -8.043 -11.415 -0.829 104 HZ2 LYS 542 HZ2 LYS 542 -9.815 -11.102 1.466 105 HZ3 LYS 542 HZ3 LYS 542 -10.155 -11.667 -0.023 106 H GLY 543 H GLY 543 -2.935 -14.824 0.161 107 HA2 GLY 543 HA2 GLY 543 -1.957 -12.645 1.240 108 HA3 GLY 543 HA3 GLY 543 -3.639 -12.159 1.150 109 H PHE 544 H PHE 544 -4.335 -12.230 3.270 110 HA PHE 544 HA PHE 544 -3.940 -14.797 4.642 111 HB2 PHE 544 HB2 PHE 544 -4.254 -11.934 5.731 112 HB3 PHE 544 HB3 PHE 544 -4.020 -13.355 6.729 113 HD1 PHE 544 HD2 PHE 544 -2.405 -10.986 4.462 114 HD2 PHE 544 HD1 PHE 544 -1.841 -14.424 6.886 115 HE1 PHE 544 HE2 PHE 544 0.081 -10.675 4.325 116 HE2 PHE 544 HE1 PHE 544 0.646 -14.112 6.748 117 HZ PHE 544 HZ PHE 544 1.577 -12.241 5.470 118 H ASN 545 H ASN 545 -5.787 -12.717 6.526 119 HA ASN 545 HA ASN 545 -8.239 -13.738 5.323 120 HB2 ASN 545 HB2 ASN 545 -7.429 -13.514 8.260 121 HB3 ASN 545 HB3 ASN 545 -9.107 -13.681 7.785 122 HD21 ASN 545 HD21 ASN 545 -5.901 -15.139 7.531 123 HD22 ASN 545 HD22 ASN 545 -6.407 -16.786 7.348 124 H SER 546 H SER 546 -6.954 -11.391 7.810 125 HA SER 546 HA SER 546 -8.533 -9.335 6.505 126 HB2 SER 546 HB2 SER 546 -8.534 -9.991 9.478 127 HB3 SER 546 HB3 SER 546 -9.068 -8.440 8.861 128 HG SER 546 HG SER 546 -10.965 -9.438 8.695 129 HA PRO 547 HA PRO 547 -4.219 -8.162 7.553 130 HB2 PRO 547 HB2 PRO 547 -3.233 -7.847 5.024 131 HB3 PRO 547 HB3 PRO 547 -3.027 -9.316 5.956 132 HG2 PRO 547 HG2 PRO 547 -4.847 -8.803 3.684 133 HG3 PRO 547 HG3 PRO 547 -4.319 -10.339 4.343 134 HD2 PRO 547 HD2 PRO 547 -6.870 -9.088 4.738 135 HD3 PRO 547 HD3 PRO 547 -6.299 -10.565 5.488 136 H TYR 548 H TYR 548 -3.321 -6.103 7.729 137 HA TYR 548 HA TYR 548 -4.997 -4.085 6.393 138 HB2 TYR 548 HB2 TYR 548 -4.118 -4.628 9.214 139 HB3 TYR 548 HB3 TYR 548 -3.870 -2.965 8.722 140 HD1 TYR 548 HD2 TYR 548 -5.805 -1.535 8.098 141 HD2 TYR 548 HD1 TYR 548 -6.338 -5.512 9.583 142 HE1 TYR 548 HE2 TYR 548 -8.250 -1.034 8.583 143 HE2 TYR 548 HE1 TYR 548 -8.782 -4.998 10.062 144 HH TYR 548 HH TYR 548 -10.034 -2.525 10.569 145 H ILE 549 H ILE 549 -3.925 -2.050 5.872 146 HA ILE 549 HA ILE 549 -1.001 -2.311 5.802 147 HB ILE 549 HB ILE 549 -1.474 -2.740 3.614 148 HG12 ILE 549 HG11 ILE 549 -1.625 0.227 3.256 149 HG13 ILE 549 HG12 ILE 549 -0.237 -0.436 4.095 150 HG21 ILE 549 HG21 ILE 549 -3.800 -2.715 3.497 151 HG22 ILE 549 HG22 ILE 549 -3.908 -1.004 3.977 152 HG23 ILE 549 HG23 ILE 549 -3.312 -1.438 2.357 153 HD11 ILE 549 HD11 ILE 549 -0.777 -0.419 1.261 154 HD12 ILE 549 HD12 ILE 549 0.674 -1.008 2.107 155 HD13 ILE 549 HD13 ILE 549 -0.693 -2.110 1.813 156 H HIS 550 H HIS 550 0.184 -0.397 6.161 157 HA HIS 550 HA HIS 550 -1.458 1.922 6.856 158 HB2 HIS 550 HB2 HIS 550 -0.622 0.497 8.839 159 HB3 HIS 550 HB3 HIS 550 0.973 1.111 8.450 160 HD1 HIS 550 HD1 HIS 550 -1.378 3.754 7.705 161 HD2 HIS 550 HE2 HIS 550 0.420 2.263 11.188 162 HE1 HIS 550 HE1 HIS 550 -1.603 5.587 9.466 163 H TYR 551 H TYR 551 -0.913 3.611 5.580 164 HA TYR 551 HA TYR 551 1.908 3.813 4.778 165 HB2 TYR 551 HB2 TYR 551 0.460 4.991 2.737 166 HB3 TYR 551 HB3 TYR 551 0.934 3.304 2.699 167 HD1 TYR 551 HD1 TYR 551 -1.826 5.369 4.208 168 HD2 TYR 551 HD2 TYR 551 -0.725 1.798 2.125 169 HE1 TYR 551 HE1 TYR 551 -4.270 4.679 4.085 170 HE2 TYR 551 HE2 TYR 551 -3.173 1.120 2.009 171 HH TYR 551 HH TYR 551 -5.595 3.063 2.297 172 H ARG 552 H ARG 552 2.555 6.064 4.155 173 HA ARG 552 HA ARG 552 0.795 8.073 5.242 174 HB2 ARG 552 HB2 ARG 552 2.029 8.354 7.134 175 HB3 ARG 552 HB3 ARG 552 3.130 7.087 6.630 176 HG2 ARG 552 HG2 ARG 552 4.476 8.691 5.337 177 HG3 ARG 552 HG3 ARG 552 3.317 9.970 5.641 178 HD2 ARG 552 HD2 ARG 552 4.498 10.505 7.507 179 HD3 ARG 552 HD3 ARG 552 3.964 8.995 8.218 180 HE ARG 552 HE ARG 552 6.164 8.266 8.030 181 HH11 ARG 552 HH22 ARG 552 5.536 10.519 5.368 182 HH12 ARG 552 HH21 ARG 552 7.135 10.385 4.714 183 HH22 ARG 552 HH1 ARG 552 8.726 8.950 5.787 184 HA PRO 553 HA PRO 553 2.509 10.312 1.914 185 HB2 PRO 553 HB2 PRO 553 2.002 12.896 2.643 186 HB3 PRO 553 HB3 PRO 553 0.789 11.843 1.943 187 HG2 PRO 553 HG2 PRO 553 1.097 12.703 4.754 188 HG3 PRO 553 HG3 PRO 553 -0.309 12.019 3.964 189 HD2 PRO 553 HD2 PRO 553 1.488 10.664 5.741 190 HD3 PRO 553 HD3 PRO 553 0.151 9.953 4.860 191 H ALA 554 H ALA 554 4.260 11.536 1.062 192 HA ALA 554 HA ALA 554 6.628 11.129 2.154 193 HB1 ALA 554 HB1 ALA 554 7.366 12.533 0.531 194 HB2 ALA 554 HB2 ALA 554 5.648 12.642 0.078 195 HB3 ALA 554 HB3 ALA 554 6.376 13.890 1.119 196 H GLY 555 H GLY 555 5.046 14.366 2.645 197 HA2 GLY 555 HA2 GLY 555 6.162 14.348 5.386 198 HA3 GLY 555 HA3 GLY 555 6.234 15.750 4.337 199 H GLY 556 H GLY 556 4.084 13.599 6.212 200 HA2 GLY 556 HA2 GLY 556 2.167 15.793 6.441 201 HA3 GLY 556 HA3 GLY 556 1.587 14.295 5.741 202 H SER 557 H SER 557 1.400 12.383 7.033 203 HA SER 557 HA SER 557 2.394 12.293 9.643 204 HB2 SER 557 HB2 SER 557 0.650 13.917 10.163 205 HB3 SER 557 HB3 SER 557 -0.560 12.968 9.323 206 HG SER 557 HG SER 557 0.662 12.514 11.863 207 H TRP 558 H TRP 558 0.942 10.390 10.876 208 HA TRP 558 HA TRP 558 0.763 8.285 8.844 209 HB2 TRP 558 HB2 TRP 558 1.560 8.356 11.721 210 HB3 TRP 558 HB3 TRP 558 0.825 6.893 11.095 211 HD1 TRP 558 HD TRP 558 4.110 8.772 11.078 212 HE1 TRP 558 HE1 TRP 558 5.987 7.494 9.733 213 HE3 TRP 558 HE3 TRP 558 1.001 5.342 8.974 214 HZ2 TRP 558 HZ2 TRP 558 5.961 5.242 7.980 215 HZ3 TRP 558 HZ3 TRP 558 2.008 3.638 7.458 216 HH2 TRP 558 HH TRP 558 4.397 3.553 6.950 217 H THR 559 H THR 559 -1.234 7.459 8.356 218 HA THR 559 HA THR 559 -3.557 8.611 9.419 219 HB THR 559 HB THR 559 -3.190 5.961 7.925 220 HG1 THR 559 HG1 THR 559 -3.011 7.349 6.130 221 HG21 THR 559 HG21 THR 559 -5.516 6.130 8.406 222 HG22 THR 559 HG22 THR 559 -5.489 7.908 8.346 223 HG23 THR 559 HG23 THR 559 -5.381 6.965 6.840 224 H ALA 560 H ALA 560 -5.424 7.052 10.244 225 HA ALA 560 HA ALA 560 -4.629 6.331 12.850 226 HB1 ALA 560 HB1 ALA 560 -6.873 6.272 13.219 227 HB2 ALA 560 HB2 ALA 560 -6.969 7.015 11.604 228 HB3 ALA 560 HB3 ALA 560 -7.183 5.258 11.790 229 H ALA 561 H ALA 561 -3.307 4.617 13.247 230 HA ALA 561 HA ALA 561 -3.216 2.386 11.487 231 HB1 ALA 561 HB1 ALA 561 -1.212 2.250 12.489 232 HB2 ALA 561 HB2 ALA 561 -1.690 3.517 13.645 233 HB3 ALA 561 HB3 ALA 561 -2.013 1.806 14.016 234 HA PRO 562 HA PRO 562 -3.051 0.559 11.258 235 HB2 PRO 562 HB2 PRO 562 -4.505 -1.320 9.909 236 HB3 PRO 562 HB3 PRO 562 -3.381 -1.718 11.192 237 HG2 PRO 562 HG2 PRO 562 -6.336 -1.674 11.265 238 HG3 PRO 562 HG3 PRO 562 -5.222 -2.459 12.367 239 HD2 PRO 562 HD2 PRO 562 -6.658 -0.020 12.828 240 HD3 PRO 562 HD3 PRO 562 -5.458 -0.745 13.880 241 H GLY 563 H GLY 563 -2.747 1.323 9.172 242 HA2 GLY 563 HA2 GLY 563 -4.066 3.491 8.357 243 HA3 GLY 563 HA3 GLY 563 -3.389 2.327 7.236 244 H VAL 564 H VAL 564 -4.743 0.986 6.010 245 HA VAL 564 HA VAL 564 -7.585 1.030 6.687 246 HB VAL 564 HB VAL 564 -6.757 1.405 3.840 247 HG11 VAL 564 HG11 VAL 564 -8.971 2.825 4.056 248 HG12 VAL 564 HG12 VAL 564 -9.034 1.050 3.949 249 HG13 VAL 564 HG13 VAL 564 -9.197 1.852 5.529 250 HG21 VAL 564 HG21 VAL 564 -6.849 3.847 4.076 251 HG22 VAL 564 HG22 VAL 564 -7.019 3.677 5.840 252 HG23 VAL 564 HG23 VAL 564 -5.519 3.156 5.036 253 H LYS 565 H LYS 565 -8.793 -0.740 5.601 254 HA LYS 565 HA LYS 565 -7.080 -3.066 5.419 255 HB2 LYS 565 HB2 LYS 565 -8.876 -3.547 6.775 256 HB3 LYS 565 HB3 LYS 565 -9.991 -2.552 5.862 257 HG2 LYS 565 HG2 LYS 565 -10.525 -4.908 5.465 258 HG3 LYS 565 HG3 LYS 565 -9.919 -4.205 3.979 259 HD2 LYS 565 HD2 LYS 565 -7.733 -5.219 4.281 260 HD3 LYS 565 HD3 LYS 565 -8.104 -5.688 5.928 261 HE2 LYS 565 HE2 LYS 565 -9.169 -6.870 3.346 262 HE3 LYS 565 HE3 LYS 565 -8.399 -7.695 4.687 263 HZ2 LYS 565 HZ2 LYS 565 -10.717 -8.115 4.870 264 HZ3 LYS 565 HZ3 LYS 565 -10.419 -7.015 6.033 265 H MET 566 H MET 566 -6.109 -3.436 3.493 266 HA MET 566 HA MET 566 -6.488 -2.380 1.155 267 HB2 MET 566 HB2 MET 566 -6.052 -5.337 1.816 268 HB3 MET 566 HB3 MET 566 -5.906 -4.738 0.176 269 HG2 MET 566 HG2 MET 566 -4.355 -2.908 1.594 270 HG3 MET 566 HG3 MET 566 -4.062 -4.392 2.479 271 HE1 MET 566 HE1 MET 566 -2.995 -2.190 0.344 272 HE2 MET 566 HE2 MET 566 -1.480 -3.032 -0.062 273 HE3 MET 566 HE3 MET 566 -2.736 -2.810 -1.304 274 H GLN 567 H GLN 567 -7.986 -2.221 -0.488 275 HA GLN 567 HA GLN 567 -10.428 -3.725 -0.068 276 HB2 GLN 567 HB2 GLN 567 -10.744 -1.325 -0.220 277 HB3 GLN 567 HB3 GLN 567 -9.794 -1.227 -1.689 278 HG2 GLN 567 HG2 GLN 567 -11.502 -2.062 -3.027 279 HG3 GLN 567 HG3 GLN 567 -12.147 -3.087 -1.760 280 HE21 GLN 567 HE12 GLN 567 -14.024 -2.521 -0.995 281 HE22 GLN 567 HE22 GLN 567 -14.692 -0.926 -0.906 282 H ASP 568 H ASP 568 -11.090 -5.335 -1.460 283 HA ASP 568 HA ASP 568 -9.404 -6.584 -3.101 284 HB2 ASP 568 HB2 ASP 568 -12.232 -6.614 -2.568 285 HB3 ASP 568 HB3 ASP 568 -12.039 -6.715 -4.307 286 HD2 ASP 568 HD ASP 568 -11.129 -9.486 -4.770 287 H ALA 569 H ALA 569 -9.006 -6.579 -5.438 288 HA ALA 569 HA ALA 569 -9.390 -3.966 -6.627 289 HB1 ALA 569 HB1 ALA 569 -7.605 -4.533 -7.990 290 HB2 ALA 569 HB2 ALA 569 -7.249 -5.543 -6.568 291 HB3 ALA 569 HB3 ALA 569 -8.022 -6.263 -8.001 292 H GLU 570 H GLU 570 -9.241 -5.294 -9.381 293 HA GLU 570 HA GLU 570 -12.028 -6.154 -9.462 294 HB2 GLU 570 HB2 GLU 570 -11.816 -3.869 -10.362 295 HB3 GLU 570 HB3 GLU 570 -10.543 -4.382 -11.452 296 HG2 GLU 570 HG2 GLU 570 -12.045 -5.139 -12.979 297 HG3 GLU 570 HG3 GLU 570 -12.873 -6.108 -11.777 298 HE2 GLU 570 HE GLU 570 -13.826 -3.118 -13.584 299 H ILE 571 H ILE 571 -9.657 -7.839 -9.170 300 HA ILE 571 HA ILE 571 -9.556 -9.070 -11.833 301 HB ILE 571 HB ILE 571 -7.617 -9.374 -9.540 302 HG12 ILE 571 HG11 ILE 571 -6.799 -7.930 -11.994 303 HG13 ILE 571 HG12 ILE 571 -7.943 -7.081 -10.972 304 HG21 ILE 571 HG21 ILE 571 -8.027 -10.870 -11.943 305 HG22 ILE 571 HG22 ILE 571 -6.476 -10.004 -12.059 306 HG23 ILE 571 HG23 ILE 571 -6.791 -11.084 -10.680 307 HD11 ILE 571 HD11 ILE 571 -6.416 -6.770 -9.294 308 HD12 ILE 571 HD12 ILE 571 -5.735 -8.404 -9.482 309 HD13 ILE 571 HD13 ILE 571 -5.221 -7.095 -10.572 310 H SER 572 H SER 572 -8.971 -10.320 -8.487 311 HA SER 572 HA SER 572 -11.224 -11.565 -7.947 312 HB2 SER 572 HB2 SER 572 -10.007 -12.857 -10.299 313 HB3 SER 572 HB3 SER 572 -10.281 -13.992 -8.992 314 HG SER 572 HG SER 572 -12.241 -14.019 -9.950 315 H GLY 573 H GLY 573 -10.443 -11.473 -5.830 316 HA2 GLY 573 HA2 GLY 573 -9.504 -12.522 -4.018 317 HA3 GLY 573 HA3 GLY 573 -8.518 -13.513 -5.075 318 H TYR 574 H TYR 574 -8.395 -10.253 -6.112 319 HA TYR 574 HA TYR 574 -5.793 -9.951 -4.794 320 HB2 TYR 574 HB2 TYR 574 -7.004 -9.527 -7.442 321 HB3 TYR 574 HB3 TYR 574 -6.381 -7.998 -6.856 322 HD1 TYR 574 HD2 TYR 574 -5.424 -11.514 -7.612 323 HD2 TYR 574 HD1 TYR 574 -4.051 -7.529 -6.883 324 HE1 TYR 574 HE2 TYR 574 -3.083 -12.179 -8.346 325 HE2 TYR 574 HE1 TYR 574 -1.714 -8.207 -7.619 326 HH TYR 574 HH TYR 574 -0.392 -9.925 -8.047 327 H ALA 575 H ALA 575 -5.145 -7.710 -4.159 328 HA ALA 575 HA ALA 575 -7.499 -6.213 -3.228 329 HB1 ALA 575 HB1 ALA 575 -5.611 -7.477 -1.681 330 HB2 ALA 575 HB2 ALA 575 -4.926 -5.839 -1.812 331 HB3 ALA 575 HB3 ALA 575 -6.567 -6.068 -1.162 332 H LYS 576 H LYS 576 -7.265 -3.857 -3.172 333 HA LYS 576 HA LYS 576 -4.983 -2.716 -4.482 334 HB2 LYS 576 HB2 LYS 576 -5.878 -2.101 -6.496 335 HB3 LYS 576 HB3 LYS 576 -6.654 -3.657 -6.282 336 HG2 LYS 576 HG2 LYS 576 -8.688 -2.572 -5.394 337 HG3 LYS 576 HG3 LYS 576 -7.912 -1.001 -5.448 338 HD2 LYS 576 HD2 LYS 576 -7.810 -2.426 -8.043 339 HD3 LYS 576 HD3 LYS 576 -9.447 -2.133 -7.491 340 HE2 LYS 576 HE2 LYS 576 -7.910 0.265 -7.007 341 HE3 LYS 576 HE3 LYS 576 -7.593 -0.252 -8.651 342 HZ2 LYS 576 HZ2 LYS 576 -10.386 -0.340 -7.831 343 HZ3 LYS 576 HZ3 LYS 576 -9.752 1.152 -7.977 344 H ILE 577 H ILE 577 -4.649 -0.660 -3.731 345 HA ILE 577 HA ILE 577 -6.938 0.675 -2.494 346 HB ILE 577 HB ILE 577 -6.118 0.649 -0.446 347 HG12 ILE 577 HG11 ILE 577 -4.516 2.393 -0.948 348 HG13 ILE 577 HG12 ILE 577 -3.803 1.226 0.148 349 HG21 ILE 577 HG21 ILE 577 -4.727 -1.192 0.178 350 HG22 ILE 577 HG22 ILE 577 -5.742 -1.711 -1.188 351 HG23 ILE 577 HG23 ILE 577 -4.031 -1.298 -1.457 352 HD11 ILE 577 HD11 ILE 577 -2.807 2.067 -2.391 353 HD12 ILE 577 HD12 ILE 577 -2.125 0.824 -1.315 354 HD13 ILE 577 HD13 ILE 577 -3.298 0.365 -2.573 355 H THR 578 H THR 578 -6.819 2.982 -2.527 356 HA THR 578 HA THR 578 -4.635 4.015 -4.213 357 HB THR 578 HB THR 578 -7.606 4.767 -4.260 358 HG1 THR 578 HG1 THR 578 -7.290 2.743 -5.284 359 HG21 THR 578 HG21 THR 578 -6.996 5.953 -6.350 360 HG22 THR 578 HG22 THR 578 -6.051 6.614 -4.994 361 HG23 THR 578 HG23 THR 578 -5.292 5.482 -6.138 362 H VAL 579 H VAL 579 -3.652 5.893 -3.596 363 HA VAL 579 HA VAL 579 -4.806 7.219 -1.248 364 HB VAL 579 HB VAL 579 -2.819 5.538 -0.901 365 HG11 VAL 579 HG11 VAL 579 -0.617 6.727 -0.989 366 HG12 VAL 579 HG12 VAL 579 -1.318 6.381 -2.588 367 HG13 VAL 579 HG13 VAL 579 -1.407 8.026 -1.914 368 HG21 VAL 579 HG21 VAL 579 -2.168 6.745 1.051 369 HG22 VAL 579 HG22 VAL 579 -2.622 8.305 0.323 370 HG23 VAL 579 HG23 VAL 579 -3.882 7.126 0.760 371 H ASP 580 H ASP 580 -4.878 9.426 -1.409 372 HA ASP 580 HA ASP 580 -4.072 10.509 -3.913 373 HB2 ASP 580 HB2 ASP 580 -6.169 11.260 -2.933 374 HB3 ASP 580 HB3 ASP 580 -5.386 11.673 -1.421 375 HD2 ASP 580 HD ASP 580 -6.406 12.804 -4.286 376 H ILE 581 H ILE 581 -2.560 12.371 -4.118 377 HA ILE 581 HA ILE 581 -1.026 13.124 -1.809 378 HB ILE 581 HB ILE 581 1.126 12.437 -2.735 379 HG12 ILE 581 HG11 ILE 581 -0.497 10.927 -4.804 380 HG13 ILE 581 HG12 ILE 581 0.480 12.349 -5.112 381 HG21 ILE 581 HG21 ILE 581 1.006 10.106 -2.120 382 HG22 ILE 581 HG22 ILE 581 -0.061 11.055 -1.057 383 HG23 ILE 581 HG23 ILE 581 -0.755 10.088 -2.381 384 HD11 ILE 581 HD11 ILE 581 1.318 9.583 -4.954 385 HD12 ILE 581 HD12 ILE 581 2.280 11.012 -5.406 386 HD13 ILE 581 HD13 ILE 581 2.162 10.521 -3.699 387 H GLY 582 H GLY 582 -2.623 14.843 -2.934 388 HA2 GLY 582 HA2 GLY 582 -2.378 16.121 -5.213 389 HA3 GLY 582 HA3 GLY 582 -2.413 16.996 -3.694 390 H SER 583 H SER 583 -0.291 17.468 -2.596 391 HA SER 583 HA SER 583 1.574 18.274 -4.599 392 HB2 SER 583 HB2 SER 583 2.121 18.576 -1.652 393 HB3 SER 583 HB3 SER 583 2.478 19.684 -2.961 394 HG SER 583 HG SER 583 -0.213 19.389 -2.883 395 H ALA 584 H ALA 584 1.245 15.789 -2.069 396 HA ALA 584 HA ALA 584 3.925 15.062 -1.837 397 HB1 ALA 584 HB1 ALA 584 2.663 14.091 -0.192 398 HB2 ALA 584 HB2 ALA 584 1.247 13.884 -1.251 399 HB3 ALA 584 HB3 ALA 584 2.610 12.743 -1.353 400 H SER 585 H SER 585 5.298 13.834 -3.079 401 HA SER 585 HA SER 585 4.121 12.832 -5.550 402 HB2 SER 585 HB2 SER 585 6.442 14.469 -5.020 403 HB3 SER 585 HB3 SER 585 6.986 12.960 -5.727 404 HG SER 585 HG SER 585 4.962 14.721 -6.824 405 H GLN 586 H GLN 586 5.324 11.921 -2.517 406 HA GLN 586 HA GLN 586 5.735 9.235 -3.505 407 HB2 GLN 586 HB2 GLN 586 7.754 10.866 -1.952 408 HB3 GLN 586 HB3 GLN 586 7.690 9.131 -1.718 409 HG2 GLN 586 HG2 GLN 586 8.819 8.793 -3.653 410 HG3 GLN 586 HG3 GLN 586 7.576 9.634 -4.557 411 HE21 GLN 586 HE12 GLN 586 10.724 9.734 -3.244 412 HE22 GLN 586 HE22 GLN 586 11.185 11.330 -3.733 413 H LEU 587 H LEU 587 4.941 7.641 -2.097 414 HA LEU 587 HA LEU 587 4.150 8.531 0.568 415 HB2 LEU 587 HB2 LEU 587 2.287 8.724 -1.219 416 HB3 LEU 587 HB3 LEU 587 2.240 6.974 -1.149 417 HG LEU 587 HG LEU 587 2.009 8.575 1.386 418 HD11 LEU 587 HD11 LEU 587 0.157 9.586 0.687 419 HD12 LEU 587 HD12 LEU 587 0.145 8.665 -0.837 420 HD13 LEU 587 HD13 LEU 587 -0.608 7.980 0.623 421 HD21 LEU 587 HD21 LEU 587 2.109 5.875 0.874 422 HD22 LEU 587 HD22 LEU 587 1.447 6.635 2.341 423 HD23 LEU 587 HD23 LEU 587 0.360 6.182 1.006 424 H GLU 588 H GLU 588 4.579 7.026 2.128 425 HA GLU 588 HA GLU 588 5.678 4.538 1.134 426 HB2 GLU 588 HB2 GLU 588 6.684 4.331 3.391 427 HB3 GLU 588 HB3 GLU 588 7.108 5.855 2.638 428 HG2 GLU 588 HG2 GLU 588 5.850 7.111 4.125 429 HG3 GLU 588 HG3 GLU 588 4.609 5.883 4.287 430 HE2 GLU 588 HE GLU 588 7.471 7.063 5.518 431 H ALA 589 H ALA 589 4.933 2.477 1.847 432 HA ALA 589 HA ALA 589 2.531 2.519 3.521 433 HB1 ALA 589 HB1 ALA 589 2.598 0.650 1.187 434 HB2 ALA 589 HB2 ALA 589 1.217 1.468 1.957 435 HB3 ALA 589 HB3 ALA 589 2.276 2.366 0.844 436 H ALA 590 H ALA 590 2.261 0.640 4.813 437 HA ALA 590 HA ALA 590 4.511 -1.245 4.671 438 HB1 ALA 590 HB1 ALA 590 4.528 0.566 6.553 439 HB2 ALA 590 HB2 ALA 590 3.219 -0.403 7.271 440 HB3 ALA 590 HB3 ALA 590 4.818 -1.133 6.996 441 H PHE 591 H PHE 591 3.975 -3.385 5.725 442 HA PHE 591 HA PHE 591 1.106 -3.929 5.408 443 HB2 PHE 591 HB2 PHE 591 3.606 -5.074 4.289 444 HB3 PHE 591 HB3 PHE 591 2.650 -6.310 5.083 445 HD1 PHE 591 HD2 PHE 591 2.412 -3.624 2.523 446 HD2 PHE 591 HD1 PHE 591 0.847 -7.292 3.974 447 HE1 PHE 591 HE2 PHE 591 0.958 -3.810 0.485 448 HE2 PHE 591 HE1 PHE 591 -0.607 -7.477 1.937 449 HZ PHE 591 HZ PHE 591 -0.534 -5.734 0.216 450 H ASN 592 H ASN 592 0.078 -4.838 7.139 451 HA ASN 592 HA ASN 592 1.714 -6.275 9.038 452 HB2 ASN 592 HB2 ASN 592 0.573 -5.061 10.949 453 HB3 ASN 592 HB3 ASN 592 1.629 -4.026 10.010 454 HD21 ASN 592 HD21 ASN 592 -1.551 -4.664 11.072 455 HD22 ASN 592 HD22 ASN 592 -2.377 -3.353 10.297 456 H ASP 593 H ASP 593 0.535 -8.042 9.931 457 HA ASP 593 HA ASP 593 -1.919 -8.629 8.683 458 HB2 ASP 593 HB2 ASP 593 -0.817 -10.050 11.133 459 HB3 ASP 593 HB3 ASP 593 -1.780 -10.731 9.837 460 HD2 ASP 593 HD ASP 593 1.273 -9.776 7.917 461 H GLY 594 H GLY 594 -0.979 -6.766 11.415 462 HA2 GLY 594 HA2 GLY 594 -2.269 -5.603 12.878 463 HA3 GLY 594 HA3 GLY 594 -3.701 -6.408 12.268 464 H ASN 595 H ASN 595 -1.203 -8.667 13.010 465 HA ASN 595 HA ASN 595 -2.443 -9.118 15.611 466 HB2 ASN 595 HB2 ASN 595 -1.418 -11.120 13.536 467 HB3 ASN 595 HB3 ASN 595 -1.792 -11.584 15.184 468 HD21 ASN 595 HD21 ASN 595 -2.951 -11.903 12.301 469 HD22 ASN 595 HD22 ASN 595 -4.660 -11.724 12.518 470 H ASN 596 H ASN 596 -0.386 -7.425 15.786 471 HA ASN 596 HA ASN 596 1.581 -7.057 16.619 472 HB2 ASN 596 HB2 ASN 596 1.283 -9.984 17.402 473 HB3 ASN 596 HB3 ASN 596 2.769 -9.130 17.767 474 HD21 ASN 596 HD21 ASN 596 1.000 -10.218 19.661 475 HD22 ASN 596 HD22 ASN 596 0.342 -8.945 20.633 476 H ASN 597 H ASN 597 1.235 -7.987 13.780 477 HA ASN 597 HA ASN 597 3.962 -8.926 13.380 478 HB2 ASN 597 HB2 ASN 597 1.438 -10.152 12.506 479 HB3 ASN 597 HB3 ASN 597 2.428 -9.744 11.119 480 HD21 ASN 597 HD21 ASN 597 2.616 -11.218 14.347 481 HD22 ASN 597 HD22 ASN 597 3.768 -12.453 13.962 482 H TRP 598 H TRP 598 4.771 -6.837 12.801 483 HA TRP 598 HA TRP 598 3.451 -5.598 10.482 484 HB2 TRP 598 HB2 TRP 598 4.852 -4.250 12.797 485 HB3 TRP 598 HB3 TRP 598 4.321 -3.438 11.338 486 HD1 TRP 598 HD TRP 598 2.552 -5.703 14.010 487 HE1 TRP 598 HE1 TRP 598 0.166 -4.737 14.592 488 HE3 TRP 598 HE3 TRP 598 2.775 -1.779 10.783 489 HZ2 TRP 598 HZ2 TRP 598 -1.326 -2.491 13.659 490 HZ3 TRP 598 HZ3 TRP 598 0.811 -0.248 10.680 491 HH2 TRP 598 HH TRP 598 -1.190 -0.554 12.050 492 H ASP 599 H ASP 599 4.807 -5.107 8.738 493 HA ASP 599 HA ASP 599 7.624 -5.709 9.183 494 HB2 ASP 599 HB2 ASP 599 5.836 -6.453 6.827 495 HB3 ASP 599 HB3 ASP 599 7.585 -6.506 6.728 496 HD2 ASP 599 HD ASP 599 5.131 -8.980 8.251 497 H SER 600 H SER 600 7.355 -3.181 9.512 498 HA SER 600 HA SER 600 7.329 -1.905 6.890 499 HB2 SER 600 HB2 SER 600 5.640 -1.250 8.798 500 HB3 SER 600 HB3 SER 600 7.008 -0.425 9.517 501 HG SER 600 HG SER 600 7.080 1.031 7.863 502 H ASN 601 H ASN 601 9.098 -2.512 9.904 503 HA ASN 601 HA ASN 601 11.140 -0.624 9.145 504 HB2 ASN 601 HB2 ASN 601 10.470 -0.781 11.542 505 HB3 ASN 601 HB3 ASN 601 10.867 -2.487 11.563 506 HD21 ASN 601 HD21 ASN 601 12.436 0.454 10.294 507 HD22 ASN 601 HD22 ASN 601 13.972 0.232 11.064 508 H ASN 602 H ASN 602 11.217 -2.328 7.130 509 HA ASN 602 HA ASN 602 12.972 -4.519 7.883 510 HB2 ASN 602 HB2 ASN 602 10.749 -4.345 6.106 511 HB3 ASN 602 HB3 ASN 602 12.151 -4.472 5.062 512 HD21 ASN 602 HD21 ASN 602 13.460 -6.280 5.114 513 HD22 ASN 602 HD22 ASN 602 12.987 -7.778 5.845 514 H THR 603 H THR 603 12.698 -1.425 6.235 515 HA THR 603 HA THR 603 15.424 -1.070 5.915 516 HB THR 603 HB THR 603 15.419 -2.818 4.221 517 HG1 THR 603 HG1 THR 603 16.286 -1.430 2.660 518 HG21 THR 603 HG21 THR 603 13.951 -2.363 2.113 519 HG22 THR 603 HG22 THR 603 13.126 -3.060 3.528 520 HG23 THR 603 HG23 THR 603 12.973 -1.322 3.175 521 H LYS 604 H LYS 604 13.239 0.369 6.946 522 HA LYS 604 HA LYS 604 12.551 2.472 6.985 523 HB2 LYS 604 HB2 LYS 604 14.853 2.990 6.123 524 HB3 LYS 604 HB3 LYS 604 14.207 2.967 4.495 525 HG2 LYS 604 HG2 LYS 604 13.814 5.193 4.846 526 HG3 LYS 604 HG3 LYS 604 12.396 4.641 5.714 527 HD2 LYS 604 HD2 LYS 604 13.274 5.833 7.461 528 HD3 LYS 604 HD3 LYS 604 14.282 4.419 7.697 529 HE2 LYS 604 HE2 LYS 604 16.163 5.412 6.675 530 HE3 LYS 604 HE3 LYS 604 15.196 6.529 5.733 531 HZ2 LYS 604 HZ2 LYS 604 15.582 8.013 7.358 532 HZ3 LYS 604 HZ3 LYS 604 14.657 7.140 8.375 533 H ASN 605 H ASN 605 10.887 0.496 6.010 534 HA ASN 605 HA ASN 605 9.184 0.060 4.716 535 HB2 ASN 605 HB2 ASN 605 8.581 2.982 4.288 536 HB3 ASN 605 HB3 ASN 605 7.509 1.701 4.820 537 HD21 ASN 605 HD21 ASN 605 9.981 3.982 5.738 538 HD22 ASN 605 HD22 ASN 605 9.759 3.917 7.455 539 H TYR 606 H TYR 606 7.874 1.382 2.567 540 HA TYR 606 HA TYR 606 10.030 1.873 0.632 541 HB2 TYR 606 HB2 TYR 606 7.414 0.429 0.001 542 HB3 TYR 606 HB3 TYR 606 8.940 0.301 -0.851 543 HD1 TYR 606 HD1 TYR 606 10.939 -0.635 0.771 544 HD2 TYR 606 HD2 TYR 606 6.758 -1.434 1.204 545 HE1 TYR 606 HE1 TYR 606 11.471 -2.763 2.058 546 HE2 TYR 606 HE2 TYR 606 7.305 -3.559 2.489 547 HH TYR 606 HH TYR 606 10.664 -4.602 2.901 548 H LEU 607 H LEU 607 9.673 3.556 -0.787 549 HA LEU 607 HA LEU 607 7.168 5.003 -0.370 550 HB2 LEU 607 HB2 LEU 607 9.877 5.830 -1.404 551 HB3 LEU 607 HB3 LEU 607 8.460 6.855 -1.513 552 HG LEU 607 HG LEU 607 9.244 5.750 1.164 553 HD11 LEU 607 HD11 LEU 607 10.422 8.345 0.789 554 HD12 LEU 607 HD12 LEU 607 11.182 6.819 1.300 555 HD13 LEU 607 HD13 LEU 607 11.057 7.214 -0.431 556 HD21 LEU 607 HD21 LEU 607 8.063 8.420 0.354 557 HD22 LEU 607 HD22 LEU 607 7.117 6.992 0.839 558 HD23 LEU 607 HD23 LEU 607 8.224 7.763 2.001 559 H PHE 608 H PHE 608 5.774 5.517 -2.071 560 HA PHE 608 HA PHE 608 6.516 4.384 -4.669 561 HB2 PHE 608 HB2 PHE 608 3.734 4.332 -3.374 562 HB3 PHE 608 HB3 PHE 608 4.242 3.440 -4.794 563 HD1 PHE 608 HD2 PHE 608 6.264 1.767 -4.360 564 HD2 PHE 608 HD1 PHE 608 3.626 3.205 -1.363 565 HE1 PHE 608 HE2 PHE 608 6.825 -0.209 -2.917 566 HE2 PHE 608 HE1 PHE 608 4.186 1.229 0.079 567 HZ PHE 608 HZ PHE 608 5.779 -0.455 -0.715 568 H SER 609 H SER 609 5.655 5.477 -6.508 569 HA SER 609 HA SER 609 4.545 8.081 -5.812 570 HB2 SER 609 HB2 SER 609 6.857 7.869 -6.994 571 HB3 SER 609 HB3 SER 609 5.950 7.407 -8.421 572 HG SER 609 HG SER 609 5.678 9.883 -6.940 573 H THR 610 H THR 610 2.920 8.990 -7.361 574 HA THR 610 HA THR 610 0.782 7.440 -7.822 575 HB THR 610 HB THR 610 0.247 9.179 -9.630 576 HG1 THR 610 HG1 THR 610 2.799 10.272 -8.770 577 HG21 THR 610 HG21 THR 610 1.377 9.977 -6.920 578 HG22 THR 610 HG22 THR 610 0.841 11.225 -8.071 579 HG23 THR 610 HG23 THR 610 -0.316 10.013 -7.469 580 H GLY 611 H GLY 611 -0.209 6.399 -9.666 581 HA2 GLY 611 HA2 GLY 611 0.209 5.665 -11.983 582 HA3 GLY 611 HA3 GLY 611 1.821 5.216 -11.466 583 H THR 612 H THR 612 1.579 2.981 -11.958 584 HA THR 612 HA THR 612 -0.403 1.580 -10.287 585 HB THR 612 HB THR 612 0.919 0.413 -12.757 586 HG1 THR 612 HG1 THR 612 0.041 2.627 -13.177 587 HG21 THR 612 HG21 THR 612 -1.887 0.249 -11.533 588 HG22 THR 612 HG22 THR 612 -1.370 -0.585 -13.018 589 HG23 THR 612 HG23 THR 612 -0.646 -1.024 -11.453 590 H SER 613 H SER 613 0.309 0.359 -8.657 591 HA SER 613 HA SER 613 3.076 -0.533 -8.854 592 HB2 SER 613 HB2 SER 613 2.403 1.459 -7.176 593 HB3 SER 613 HB3 SER 613 1.909 0.122 -6.156 594 HG SER 613 HG SER 613 4.070 0.534 -5.666 595 H THR 614 H THR 614 3.524 -2.497 -7.448 596 HA THR 614 HA THR 614 1.082 -4.005 -6.831 597 HB THR 614 HB THR 614 3.494 -5.117 -8.353 598 HG1 THR 614 HG1 THR 614 2.401 -3.663 -9.743 599 HG21 THR 614 HG21 THR 614 0.840 -6.172 -7.403 600 HG22 THR 614 HG22 THR 614 1.338 -6.627 -9.050 601 HG23 THR 614 HG23 THR 614 2.372 -7.041 -7.662 602 H TYR 615 H TYR 615 1.081 -4.734 -4.805 603 HA TYR 615 HA TYR 615 3.669 -4.807 -3.433 604 HB2 TYR 615 HB2 TYR 615 0.963 -3.902 -2.910 605 HB3 TYR 615 HB3 TYR 615 1.236 -5.265 -1.842 606 HD1 TYR 615 HD2 TYR 615 3.491 -5.196 -0.461 607 HD2 TYR 615 HD1 TYR 615 1.636 -1.773 -2.234 608 HE1 TYR 615 HE2 TYR 615 4.740 -3.676 1.150 609 HE2 TYR 615 HE1 TYR 615 2.891 -0.265 -0.618 610 HH TYR 615 HH TYR 615 4.207 -1.259 2.121 611 H THR 616 H THR 616 4.620 -6.741 -3.056 612 HA THR 616 HA THR 616 2.855 -9.066 -2.720 613 HB THR 616 HB THR 616 5.363 -8.852 -4.468 614 HG1 THR 616 HG1 THR 616 3.692 -8.305 -5.821 615 HG21 THR 616 HG21 THR 616 5.450 -11.134 -4.467 616 HG22 THR 616 HG22 THR 616 4.243 -11.146 -3.159 617 HG23 THR 616 HG23 THR 616 3.715 -11.218 -4.857 618 HA PRO 617 HA PRO 617 5.577 -8.891 0.777 619 HB2 PRO 617 HB2 PRO 617 3.750 -9.732 2.627 620 HB3 PRO 617 HB3 PRO 617 4.028 -8.043 2.254 621 HG2 PRO 617 HG2 PRO 617 1.764 -9.769 1.458 622 HG3 PRO 617 HG3 PRO 617 1.860 -8.019 1.467 623 HD2 PRO 617 HD2 PRO 617 2.037 -9.735 -0.825 624 HD3 PRO 617 HD3 PRO 617 2.248 -7.995 -0.799 625 H GLY 618 H GLY 618 6.169 -10.576 2.522 626 HA2 GLY 618 HA2 GLY 618 6.472 -13.058 1.033 627 HA3 GLY 618 HA3 GLY 618 7.274 -12.594 2.521 628 H SER 619 H SER 619 6.753 -14.697 3.445 629 HA SER 619 HA SER 619 3.931 -15.171 3.848 630 HB2 SER 619 HB2 SER 619 6.046 -16.872 3.311 631 HB3 SER 619 HB3 SER 619 5.897 -17.052 5.047 632 HG SER 619 HG SER 619 3.448 -17.274 4.462 633 H ASN 620 H ASN 620 4.661 -12.883 5.176 634 HA ASN 620 HA ASN 620 4.584 -11.918 7.116 635 HB2 ASN 620 HB2 ASN 620 3.464 -14.598 7.707 636 HB3 ASN 620 HB3 ASN 620 4.190 -13.857 9.120 637 HD21 ASN 620 HD21 ASN 620 1.532 -14.336 9.066 638 HD22 ASN 620 HD22 ASN 620 0.621 -12.866 8.968 639 H GLY 621 H GLY 621 6.255 -11.252 8.541 640 HA2 GLY 621 HA2 GLY 621 8.033 -11.522 9.979 641 HA3 GLY 621 HA3 GLY 621 8.156 -13.216 9.545 642 H ALA 622 H ALA 622 7.960 -12.461 6.559 643 HA ALA 622 HA ALA 622 10.680 -11.373 6.302 644 HB1 ALA 622 HB1 ALA 622 10.833 -13.727 5.886 645 HB2 ALA 622 HB2 ALA 622 9.352 -13.718 4.899 646 HB3 ALA 622 HB3 ALA 622 10.830 -12.935 4.292 647 H ALA 623 H ALA 623 10.345 -9.309 5.583 648 HA ALA 623 HA ALA 623 8.153 -8.335 4.311 649 HB1 ALA 623 HB1 ALA 623 9.899 -6.911 5.196 650 HB2 ALA 623 HB2 ALA 623 11.085 -7.566 4.042 651 HB3 ALA 623 HB3 ALA 623 9.734 -6.566 3.458 652 H GLY 624 H GLY 624 8.049 -7.499 1.951 653 HA2 GLY 624 HA2 GLY 624 8.982 -9.660 0.155 654 HA3 GLY 624 HA3 GLY 624 7.410 -8.895 0.035 655 H THR 625 H THR 625 7.503 -7.826 -1.927 656 HA THR 625 HA THR 625 9.279 -5.549 -2.057 657 HB THR 625 HB THR 625 10.016 -6.369 -4.422 658 HG1 THR 625 HG1 THR 625 8.833 -8.237 -4.768 659 HG21 THR 625 HG21 THR 625 11.918 -7.533 -3.576 660 HG22 THR 625 HG22 THR 625 11.437 -6.506 -2.204 661 HG23 THR 625 HG23 THR 625 10.996 -8.230 -2.222 662 H ILE 626 H ILE 626 8.746 -4.133 -3.952 663 HA ILE 626 HA ILE 626 5.923 -4.520 -4.669 664 HB ILE 626 HB ILE 626 7.000 -1.773 -4.534 665 HG12 ILE 626 HG11 ILE 626 6.245 -1.981 -1.956 666 HG13 ILE 626 HG12 ILE 626 6.929 -3.580 -2.168 667 HG21 ILE 626 HG21 ILE 626 4.409 -2.975 -3.527 668 HG22 ILE 626 HG22 ILE 626 4.778 -1.254 -3.796 669 HG23 ILE 626 HG23 ILE 626 4.665 -2.367 -5.181 670 HD11 ILE 626 HD11 ILE 626 8.461 -1.501 -1.472 671 HD12 ILE 626 HD12 ILE 626 9.082 -2.776 -2.547 672 HD13 ILE 626 HD13 ILE 626 8.500 -1.240 -3.232 673 H ARG 627 H ARG 627 5.512 -4.630 -6.816 674 HA ARG 627 HA ARG 627 7.705 -3.799 -8.537 675 HB2 ARG 627 HB2 ARG 627 6.448 -6.270 -8.387 676 HB3 ARG 627 HB3 ARG 627 5.557 -5.517 -9.695 677 HG2 ARG 627 HG2 ARG 627 7.272 -6.167 -11.044 678 HG3 ARG 627 HG3 ARG 627 8.183 -4.850 -10.333 679 HD2 ARG 627 HD1 ARG 627 8.980 -6.426 -8.521 680 HD3 ARG 627 HD2 ARG 627 8.133 -7.735 -9.322 681 HE ARG 627 HE ARG 627 9.797 -6.484 -11.264 682 HH11 ARG 627 HH22 ARG 627 10.141 -8.396 -8.301 683 HH12 ARG 627 HH21 ARG 627 11.667 -9.071 -8.766 684 HH22 ARG 627 HH1 ARG 627 12.629 -8.457 -10.873 685 H THR 628 H THR 628 7.331 -2.033 -9.852 686 HA THR 628 HA THR 628 4.724 -0.833 -9.847 687 HB THR 628 HB THR 628 6.750 0.249 -11.702 688 HG1 THR 628 HG1 THR 628 7.302 -0.120 -8.844 689 HG21 THR 628 HG21 THR 628 5.419 1.179 -9.110 690 HG22 THR 628 HG22 THR 628 6.642 2.151 -9.964 691 HG23 THR 628 HG23 THR 628 5.098 1.764 -10.761 692 H GLY 629 H GLY 629 3.393 -0.373 -11.666 693 HA2 GLY 629 HA2 GLY 629 2.968 -0.624 -14.004 694 HA3 GLY 629 HA3 GLY 629 3.905 -2.106 -14.002 695 H ALA 630 H ALA 630 0.964 -1.404 -14.681 696 HA ALA 630 HA ALA 630 -0.707 -2.534 -12.762 697 HB1 ALA 630 HB1 ALA 630 -2.239 -1.870 -14.267 698 HB2 ALA 630 HB2 ALA 630 -0.899 -1.380 -15.331 699 HB3 ALA 630 HB3 ALA 630 -1.609 -3.005 -15.485 700 HA PRO 631 HA PRO 631 0.629 -6.681 -13.244 701 HB2 PRO 631 HB2 PRO 631 -0.726 -7.714 -11.107 702 HB3 PRO 631 HB3 PRO 631 0.861 -6.983 -10.973 703 HG2 PRO 631 HG2 PRO 631 -1.762 -5.877 -10.175 704 HG3 PRO 631 HG3 PRO 631 -0.160 -5.371 -9.677 705 HD2 PRO 631 HD2 PRO 631 -1.858 -4.061 -11.581 706 HD3 PRO 631 HD3 PRO 631 -0.213 -3.622 -11.168 707 H SER 632 H SER 632 -0.272 -8.866 -13.632 708 HA SER 632 HA SER 632 -3.027 -8.575 -14.521 709 HB2 SER 632 HB2 SER 632 -0.654 -9.080 -16.159 710 HB3 SER 632 HB3 SER 632 -1.801 -10.396 -16.307 711 HG SER 632 HG SER 632 -2.553 -7.614 -16.573 712 H GLY 633 H GLY 633 -3.296 -9.646 -12.321 713 HA2 GLY 633 HA2 GLY 633 -3.442 -11.449 -10.956 714 HA3 GLY 633 HA3 GLY 633 -4.061 -12.217 -12.404 Start of MODEL 13 1 H1 GLY 530 H GLY 530 -5.742 21.278 -4.738 2 HA2 GLY 530 HA2 GLY 530 -6.906 19.382 -3.740 3 HA3 GLY 530 HA3 GLY 530 -7.948 20.788 -3.834 4 H GLY 531 H GLY 531 -9.193 18.357 -3.650 5 HA2 GLY 531 HA2 GLY 531 -10.794 17.115 -4.622 6 HA3 GLY 531 HA3 GLY 531 -10.856 18.304 -5.908 7 H THR 532 H THR 532 -10.300 15.070 -5.264 8 HA THR 532 HA THR 532 -9.552 13.381 -6.505 9 HB THR 532 HB THR 532 -9.027 15.427 -8.717 10 HG1 THR 532 HG1 THR 532 -11.337 15.029 -9.120 11 HG21 THR 532 HG21 THR 532 -10.223 12.640 -8.957 12 HG22 THR 532 HG22 THR 532 -9.441 13.623 -10.218 13 HG23 THR 532 HG23 THR 532 -8.457 12.858 -8.947 14 H THR 533 H THR 533 -7.428 16.189 -7.402 15 HA THR 533 HA THR 533 -5.190 16.280 -7.529 16 HB THR 533 HB THR 533 -4.202 15.476 -5.180 17 HG1 THR 533 HG1 THR 533 -6.106 15.278 -3.713 18 HG21 THR 533 HG21 THR 533 -4.656 17.865 -5.577 19 HG22 THR 533 HG22 THR 533 -6.409 17.583 -5.451 20 HG23 THR 533 HG23 THR 533 -5.374 17.406 -4.014 21 H ASN 534 H ASN 534 -3.040 14.815 -6.717 22 HA ASN 534 HA ASN 534 -3.089 12.783 -8.639 23 HB2 ASN 534 HB2 ASN 534 -0.984 12.926 -6.456 24 HB3 ASN 534 HB3 ASN 534 -0.770 12.536 -8.152 25 HD21 ASN 534 HD21 ASN 534 0.538 14.005 -8.949 26 HD22 ASN 534 HD22 ASN 534 0.367 15.725 -8.833 27 H LYS 535 H LYS 535 -2.845 10.435 -8.258 28 HA LYS 535 HA LYS 535 -3.266 9.542 -5.521 29 HB2 LYS 535 HB2 LYS 535 -5.123 8.806 -7.805 30 HB3 LYS 535 HB3 LYS 535 -5.131 8.071 -6.215 31 HG2 LYS 535 HG2 LYS 535 -5.683 10.222 -5.158 32 HG3 LYS 535 HG3 LYS 535 -5.499 11.066 -6.682 33 HD2 LYS 535 HD2 LYS 535 -7.687 10.683 -7.129 34 HD3 LYS 535 HD3 LYS 535 -7.350 8.965 -7.202 35 HE2 LYS 535 HE2 LYS 535 -7.424 9.422 -4.454 36 HE3 LYS 535 HE3 LYS 535 -8.635 10.544 -5.041 37 HZ2 LYS 535 HZ2 LYS 535 -9.879 8.800 -5.962 38 HZ3 LYS 535 HZ3 LYS 535 -8.637 7.748 -5.991 39 H VAL 536 H VAL 536 -2.523 7.388 -5.146 40 HA VAL 536 HA VAL 536 -0.929 6.348 -7.386 41 HB VAL 536 HB VAL 536 -0.310 5.794 -4.509 42 HG11 VAL 536 HG11 VAL 536 1.108 5.705 -7.144 43 HG12 VAL 536 HG12 VAL 536 2.065 6.032 -5.679 44 HG13 VAL 536 HG13 VAL 536 1.109 4.535 -5.802 45 HG21 VAL 536 HG21 VAL 536 1.371 7.880 -5.072 46 HG22 VAL 536 HG22 VAL 536 -0.140 8.424 -5.839 47 HG23 VAL 536 HG23 VAL 536 -0.121 8.005 -4.109 48 H THR 537 H THR 537 -1.225 4.224 -7.984 49 HA THR 537 HA THR 537 -3.342 2.807 -6.526 50 HB THR 537 HB THR 537 -2.222 2.584 -9.368 51 HG1 THR 537 HG1 THR 537 -3.635 4.409 -8.890 52 HG21 THR 537 HG21 THR 537 -4.636 1.312 -9.412 53 HG22 THR 537 HG22 THR 537 -3.104 0.436 -9.185 54 HG23 THR 537 HG23 THR 537 -4.103 0.862 -7.775 55 H VAL 538 H VAL 538 -2.962 1.012 -5.372 56 HA VAL 538 HA VAL 538 -0.359 -0.279 -5.797 57 HB VAL 538 HB VAL 538 -1.621 -0.138 -3.088 58 HG11 VAL 538 HG11 VAL 538 0.546 -0.567 -2.291 59 HG12 VAL 538 HG12 VAL 538 0.415 -1.571 -3.756 60 HG13 VAL 538 HG13 VAL 538 1.311 -0.034 -3.807 61 HG21 VAL 538 HG21 VAL 538 0.087 2.057 -4.310 62 HG22 VAL 538 HG22 VAL 538 -1.618 2.191 -3.814 63 HG23 VAL 538 HG23 VAL 538 -0.353 1.926 -2.590 64 H TYR 539 H TYR 539 -0.467 -2.455 -6.133 65 HA TYR 539 HA TYR 539 -3.067 -3.715 -5.567 66 HB2 TYR 539 HB2 TYR 539 -1.303 -3.444 -7.914 67 HB3 TYR 539 HB3 TYR 539 -1.460 -5.141 -7.505 68 HD1 TYR 539 HD2 TYR 539 -3.527 -2.087 -8.149 69 HD2 TYR 539 HD1 TYR 539 -3.316 -6.359 -8.254 70 HE1 TYR 539 HE2 TYR 539 -5.769 -2.176 -9.346 71 HE2 TYR 539 HE1 TYR 539 -5.558 -6.433 -9.450 72 HH TYR 539 HH TYR 539 -7.138 -5.286 -10.379 73 H TYR 540 H TYR 540 -2.989 -5.210 -3.972 74 HA TYR 540 HA TYR 540 -0.416 -6.584 -3.572 75 HB2 TYR 540 HB2 TYR 540 -0.935 -5.177 -1.653 76 HB3 TYR 540 HB3 TYR 540 -2.652 -5.505 -1.781 77 HD1 TYR 540 HD2 TYR 540 0.123 -8.004 -1.775 78 HD2 TYR 540 HD1 TYR 540 -3.167 -6.312 0.374 79 HE1 TYR 540 HE2 TYR 540 0.334 -9.820 -0.008 80 HE2 TYR 540 HE1 TYR 540 -2.945 -8.134 2.134 81 HH TYR 540 HH TYR 540 -1.721 -10.815 1.804 82 H LYS 541 H LYS 541 -0.414 -8.822 -3.421 83 HA LYS 541 HA LYS 541 -2.934 -10.081 -4.153 84 HB2 LYS 541 HB2 LYS 541 -0.577 -10.385 -5.300 85 HB3 LYS 541 HB3 LYS 541 -0.308 -11.526 -3.998 86 HG2 LYS 541 HG2 LYS 541 -2.364 -12.767 -4.616 87 HG3 LYS 541 HG3 LYS 541 -2.728 -11.590 -5.862 88 HD2 LYS 541 HD2 LYS 541 -1.576 -12.968 -7.267 89 HD3 LYS 541 HD3 LYS 541 -0.133 -12.301 -6.529 90 HE2 LYS 541 HE2 LYS 541 -0.292 -14.143 -4.757 91 HE3 LYS 541 HE3 LYS 541 -1.588 -14.854 -5.698 92 HZ2 LYS 541 HZ2 LYS 541 0.256 -14.576 -7.594 93 HZ3 LYS 541 HZ3 LYS 541 1.256 -14.745 -6.320 94 H LYS 542 H LYS 542 -4.228 -10.825 -2.568 95 HA LYS 542 HA LYS 542 -3.094 -11.277 0.046 96 HB2 LYS 542 HB2 LYS 542 -5.081 -10.247 0.383 97 HB3 LYS 542 HB3 LYS 542 -5.779 -10.837 -1.112 98 HG2 LYS 542 HG2 LYS 542 -6.265 -13.003 -0.148 99 HG3 LYS 542 HG3 LYS 542 -5.265 -12.685 1.255 100 HD2 LYS 542 HD2 LYS 542 -7.707 -12.439 1.754 101 HD3 LYS 542 HD3 LYS 542 -6.815 -10.961 2.054 102 HE2 LYS 542 HE2 LYS 542 -7.867 -9.817 0.355 103 HE3 LYS 542 HE3 LYS 542 -7.857 -11.198 -0.724 104 HZ2 LYS 542 HZ2 LYS 542 -9.665 -11.104 1.620 105 HZ3 LYS 542 HZ3 LYS 542 -10.107 -10.477 0.184 106 H GLY 543 H GLY 543 -3.126 -14.739 0.383 107 HA2 GLY 543 HA2 GLY 543 -1.812 -12.769 1.456 108 HA3 GLY 543 HA3 GLY 543 -3.399 -12.026 1.470 109 H PHE 544 H PHE 544 -4.184 -12.098 3.535 110 HA PHE 544 HA PHE 544 -3.840 -14.634 4.973 111 HB2 PHE 544 HB2 PHE 544 -4.370 -11.759 5.941 112 HB3 PHE 544 HB3 PHE 544 -4.098 -13.132 6.996 113 HD1 PHE 544 HD1 PHE 544 -2.421 -11.326 4.190 114 HD2 PHE 544 HD2 PHE 544 -1.970 -13.466 7.826 115 HE1 PHE 544 HE1 PHE 544 0.045 -10.862 4.157 116 HE2 PHE 544 HE2 PHE 544 0.496 -13.002 7.793 117 HZ PHE 544 HZ PHE 544 1.475 -11.706 5.959 118 H ASN 545 H ASN 545 -5.897 -12.566 6.655 119 HA ASN 545 HA ASN 545 -8.206 -13.874 5.445 120 HB2 ASN 545 HB2 ASN 545 -9.226 -13.458 7.822 121 HB3 ASN 545 HB3 ASN 545 -8.054 -14.750 7.658 122 HD21 ASN 545 HD21 ASN 545 -5.756 -14.162 8.034 123 HD22 ASN 545 HD22 ASN 545 -5.381 -13.067 9.322 124 H SER 546 H SER 546 -7.072 -11.007 7.389 125 HA SER 546 HA SER 546 -8.442 -9.245 5.652 126 HB2 SER 546 HB2 SER 546 -9.896 -8.223 7.431 127 HB3 SER 546 HB3 SER 546 -10.384 -9.843 6.975 128 HG SER 546 HG SER 546 -8.642 -10.192 8.966 129 HA PRO 547 HA PRO 547 -4.825 -7.731 8.030 130 HB2 PRO 547 HB2 PRO 547 -3.042 -7.489 5.973 131 HB3 PRO 547 HB3 PRO 547 -3.110 -8.891 7.021 132 HG2 PRO 547 HG2 PRO 547 -4.056 -8.613 4.234 133 HG3 PRO 547 HG3 PRO 547 -3.725 -10.076 5.140 134 HD2 PRO 547 HD2 PRO 547 -6.304 -8.968 4.552 135 HD3 PRO 547 HD3 PRO 547 -5.968 -10.365 5.555 136 H TYR 548 H TYR 548 -3.813 -5.618 8.115 137 HA TYR 548 HA TYR 548 -5.421 -3.772 6.485 138 HB2 TYR 548 HB2 TYR 548 -4.403 -3.976 9.313 139 HB3 TYR 548 HB3 TYR 548 -4.242 -2.377 8.615 140 HD1 TYR 548 HD1 TYR 548 -6.345 -1.247 7.672 141 HD2 TYR 548 HD2 TYR 548 -6.480 -4.728 10.156 142 HE1 TYR 548 HE1 TYR 548 -8.782 -0.770 8.221 143 HE2 TYR 548 HE2 TYR 548 -8.915 -4.239 10.697 144 HH TYR 548 HH TYR 548 -10.325 -1.316 10.171 145 H ILE 549 H ILE 549 -4.320 -1.662 5.951 146 HA ILE 549 HA ILE 549 -1.439 -2.094 5.570 147 HB ILE 549 HB ILE 549 -1.517 -1.391 3.391 148 HG12 ILE 549 HG11 ILE 549 -3.917 0.136 4.239 149 HG13 ILE 549 HG12 ILE 549 -2.567 0.620 3.232 150 HG21 ILE 549 HG21 ILE 549 -4.253 -2.620 3.394 151 HG22 ILE 549 HG22 ILE 549 -2.878 -2.893 2.297 152 HG23 ILE 549 HG23 ILE 549 -2.851 -3.570 3.943 153 HD11 ILE 549 HD11 ILE 549 -5.007 -1.009 2.449 154 HD12 ILE 549 HD12 ILE 549 -4.391 0.493 1.718 155 HD13 ILE 549 HD13 ILE 549 -3.525 -1.041 1.463 156 H HIS 550 H HIS 550 -0.094 -0.349 6.013 157 HA HIS 550 HA HIS 550 -1.477 2.084 6.871 158 HB2 HIS 550 HB2 HIS 550 -0.706 0.589 8.773 159 HB3 HIS 550 HB3 HIS 550 0.940 0.906 8.260 160 HD1 HIS 550 HD1 HIS 550 -0.729 1.850 10.972 161 HD2 HIS 550 HE2 HIS 550 0.620 4.195 7.767 162 HE1 HIS 550 HE1 HIS 550 -0.533 4.232 11.863 163 H TYR 551 H TYR 551 -0.911 3.713 5.527 164 HA TYR 551 HA TYR 551 1.809 3.622 4.406 165 HB2 TYR 551 HB2 TYR 551 -0.799 4.973 3.467 166 HB3 TYR 551 HB3 TYR 551 0.698 4.954 2.557 167 HD1 TYR 551 HD1 TYR 551 0.892 1.839 3.795 168 HD2 TYR 551 HD2 TYR 551 -1.670 4.074 1.198 169 HE1 TYR 551 HE1 TYR 551 0.166 -0.311 2.649 170 HE2 TYR 551 HE2 TYR 551 -2.387 1.916 0.060 171 HH TYR 551 HH TYR 551 -1.153 -0.463 -0.226 172 H ARG 552 H ARG 552 2.717 5.849 3.869 173 HA ARG 552 HA ARG 552 1.645 7.928 5.530 174 HB2 ARG 552 HB2 ARG 552 3.105 7.273 7.216 175 HB3 ARG 552 HB3 ARG 552 4.188 6.454 6.109 176 HG2 ARG 552 HG2 ARG 552 5.381 8.402 5.598 177 HG3 ARG 552 HG3 ARG 552 4.012 9.453 5.900 178 HD2 ARG 552 HD2 ARG 552 4.976 9.908 7.915 179 HD3 ARG 552 HD3 ARG 552 4.450 8.313 8.413 180 HE ARG 552 HE ARG 552 6.801 7.720 7.158 181 HH11 ARG 552 HH22 ARG 552 6.012 10.186 9.577 182 HH12 ARG 552 HH21 ARG 552 7.603 10.202 10.261 183 HH22 ARG 552 HH1 ARG 552 9.285 8.756 9.354 184 HA PRO 553 HA PRO 553 3.202 10.128 2.087 185 HB2 PRO 553 HB2 PRO 553 2.745 12.686 2.934 186 HB3 PRO 553 HB3 PRO 553 1.504 11.677 2.219 187 HG2 PRO 553 HG2 PRO 553 1.886 12.415 5.056 188 HG3 PRO 553 HG3 PRO 553 0.453 11.783 4.269 189 HD2 PRO 553 HD2 PRO 553 2.271 10.332 5.948 190 HD3 PRO 553 HD3 PRO 553 0.906 9.675 5.069 191 H ALA 554 H ALA 554 4.886 11.562 1.286 192 HA ALA 554 HA ALA 554 7.309 11.035 2.163 193 HB1 ALA 554 HB1 ALA 554 7.690 13.653 1.550 194 HB2 ALA 554 HB2 ALA 554 7.393 12.393 0.328 195 HB3 ALA 554 HB3 ALA 554 6.053 13.419 0.893 196 H GLY 555 H GLY 555 5.745 14.128 3.264 197 HA2 GLY 555 HA2 GLY 555 6.888 13.628 5.939 198 HA3 GLY 555 HA3 GLY 555 7.154 15.152 5.116 199 H GLY 556 H GLY 556 4.661 12.982 6.515 200 HA2 GLY 556 HA2 GLY 556 2.997 15.351 7.020 201 HA3 GLY 556 HA3 GLY 556 2.294 13.979 6.187 202 H SER 557 H SER 557 1.987 11.951 7.299 203 HA SER 557 HA SER 557 2.845 11.721 9.987 204 HB2 SER 557 HB2 SER 557 0.989 13.144 10.518 205 HB3 SER 557 HB3 SER 557 -0.066 12.336 9.375 206 HG SER 557 HG SER 557 -0.535 10.821 10.828 207 H TRP 558 H TRP 558 1.312 9.676 10.946 208 HA TRP 558 HA TRP 558 1.490 7.688 8.791 209 HB2 TRP 558 HB2 TRP 558 1.978 7.558 11.751 210 HB3 TRP 558 HB3 TRP 558 1.553 6.112 10.856 211 HD1 TRP 558 HD TRP 558 4.525 8.230 11.689 212 HE1 TRP 558 HE1 TRP 558 6.716 7.464 10.434 213 HE3 TRP 558 HE3 TRP 558 2.191 5.126 8.407 214 HZ2 TRP 558 HZ2 TRP 558 7.216 5.687 8.259 215 HZ3 TRP 558 HZ3 TRP 558 3.604 3.913 6.750 216 HH2 TRP 558 HH TRP 558 6.034 4.154 6.643 217 H THR 559 H THR 559 -0.504 7.260 7.941 218 HA THR 559 HA THR 559 -2.912 8.042 8.716 219 HB THR 559 HB THR 559 -3.741 5.902 7.603 220 HG1 THR 559 HG1 THR 559 -0.862 5.422 7.445 221 HG21 THR 559 HG21 THR 559 -1.659 6.217 5.717 222 HG22 THR 559 HG22 THR 559 -3.221 7.070 5.703 223 HG23 THR 559 HG23 THR 559 -1.806 7.817 6.483 224 H ALA 560 H ALA 560 -4.615 7.491 10.079 225 HA ALA 560 HA ALA 560 -3.916 6.680 12.626 226 HB1 ALA 560 HB1 ALA 560 -5.932 7.649 12.858 227 HB2 ALA 560 HB2 ALA 560 -6.298 7.429 11.130 228 HB3 ALA 560 HB3 ALA 560 -6.658 6.127 12.289 229 H ALA 561 H ALA 561 -3.004 4.735 13.113 230 HA ALA 561 HA ALA 561 -3.453 2.416 11.593 231 HB1 ALA 561 HB1 ALA 561 -1.409 2.711 12.839 232 HB2 ALA 561 HB2 ALA 561 -2.303 2.909 14.365 233 HB3 ALA 561 HB3 ALA 561 -2.274 1.327 13.550 234 HA PRO 562 HA PRO 562 -3.777 0.629 11.428 235 HB2 PRO 562 HB2 PRO 562 -5.613 -0.877 10.076 236 HB3 PRO 562 HB3 PRO 562 -4.682 -1.488 11.428 237 HG2 PRO 562 HG2 PRO 562 -7.525 -0.682 11.349 238 HG3 PRO 562 HG3 PRO 562 -6.698 -1.673 12.534 239 HD2 PRO 562 HD2 PRO 562 -7.470 1.073 12.832 240 HD3 PRO 562 HD3 PRO 562 -6.542 0.116 13.969 241 H GLY 563 H GLY 563 -3.143 1.306 9.417 242 HA2 GLY 563 HA2 GLY 563 -3.982 3.677 8.467 243 HA3 GLY 563 HA3 GLY 563 -3.348 2.402 7.446 244 H VAL 564 H VAL 564 -4.727 1.217 6.080 245 HA VAL 564 HA VAL 564 -7.587 1.778 6.342 246 HB VAL 564 HB VAL 564 -6.323 1.764 3.634 247 HG11 VAL 564 HG11 VAL 564 -8.236 2.999 2.991 248 HG12 VAL 564 HG12 VAL 564 -8.834 1.748 4.107 249 HG13 VAL 564 HG13 VAL 564 -8.630 3.423 4.675 250 HG21 VAL 564 HG21 VAL 564 -4.916 3.396 4.532 251 HG22 VAL 564 HG22 VAL 564 -6.273 4.350 3.886 252 HG23 VAL 564 HG23 VAL 564 -6.170 4.017 5.632 253 H LYS 565 H LYS 565 -8.942 0.154 5.223 254 HA LYS 565 HA LYS 565 -7.613 -2.431 5.331 255 HB2 LYS 565 HB2 LYS 565 -9.802 -1.790 6.561 256 HB3 LYS 565 HB3 LYS 565 -10.574 -1.957 4.997 257 HG2 LYS 565 HG2 LYS 565 -8.741 -4.197 5.711 258 HG3 LYS 565 HG3 LYS 565 -10.134 -4.039 6.762 259 HD2 LYS 565 HD2 LYS 565 -11.503 -3.828 4.509 260 HD3 LYS 565 HD3 LYS 565 -10.079 -4.532 3.769 261 HE2 LYS 565 HE2 LYS 565 -10.750 -6.034 6.171 262 HE3 LYS 565 HE3 LYS 565 -12.176 -5.892 5.162 263 HZ2 LYS 565 HZ2 LYS 565 -10.704 -6.653 3.269 264 HZ3 LYS 565 HZ3 LYS 565 -9.549 -7.007 4.360 265 H MET 566 H MET 566 -6.665 -3.105 3.481 266 HA MET 566 HA MET 566 -6.845 -2.109 1.057 267 HB2 MET 566 HB2 MET 566 -6.502 -4.929 2.101 268 HB3 MET 566 HB3 MET 566 -6.644 -4.737 0.365 269 HG2 MET 566 HG2 MET 566 -4.798 -2.750 1.503 270 HG3 MET 566 HG3 MET 566 -4.305 -4.380 1.915 271 HE1 MET 566 HE1 MET 566 -3.310 -1.853 -0.339 272 HE2 MET 566 HE2 MET 566 -2.263 -3.083 0.409 273 HE3 MET 566 HE3 MET 566 -2.358 -2.953 -1.364 274 H GLN 567 H GLN 567 -7.947 -2.761 -0.999 275 HA GLN 567 HA GLN 567 -10.640 -3.736 -0.446 276 HB2 GLN 567 HB2 GLN 567 -9.820 -1.172 -1.506 277 HB3 GLN 567 HB3 GLN 567 -10.691 -2.037 -2.756 278 HG2 GLN 567 HG2 GLN 567 -11.924 -2.214 -0.047 279 HG3 GLN 567 HG3 GLN 567 -11.885 -0.597 -0.721 280 HE21 GLN 567 HE12 GLN 567 -14.217 -0.861 -0.679 281 HE22 GLN 567 HE22 GLN 567 -15.029 -1.610 -2.013 282 H ASP 568 H ASP 568 -11.186 -5.535 -1.609 283 HA ASP 568 HA ASP 568 -9.427 -6.854 -3.166 284 HB2 ASP 568 HB2 ASP 568 -12.262 -7.148 -4.023 285 HB3 ASP 568 HB3 ASP 568 -11.138 -8.370 -3.463 286 HD2 ASP 568 HD ASP 568 -13.586 -6.097 -1.770 287 H ALA 569 H ALA 569 -8.807 -6.744 -5.363 288 HA ALA 569 HA ALA 569 -9.498 -4.437 -6.829 289 HB1 ALA 569 HB1 ALA 569 -7.400 -6.125 -6.815 290 HB2 ALA 569 HB2 ALA 569 -8.304 -6.823 -8.181 291 HB3 ALA 569 HB3 ALA 569 -7.804 -5.115 -8.224 292 H GLU 570 H GLU 570 -9.589 -6.069 -9.446 293 HA GLU 570 HA GLU 570 -12.414 -6.770 -9.226 294 HB2 GLU 570 HB2 GLU 570 -12.777 -5.870 -11.457 295 HB3 GLU 570 HB3 GLU 570 -12.006 -4.637 -10.479 296 HG2 GLU 570 HG2 GLU 570 -10.481 -4.470 -12.162 297 HG3 GLU 570 HG3 GLU 570 -9.809 -5.967 -11.545 298 HE2 GLU 570 HE GLU 570 -9.271 -6.525 -13.689 299 H ILE 571 H ILE 571 -9.518 -8.167 -9.301 300 HA ILE 571 HA ILE 571 -9.900 -9.904 -11.580 301 HB ILE 571 HB ILE 571 -7.788 -9.745 -9.431 302 HG12 ILE 571 HG11 ILE 571 -7.390 -9.188 -12.359 303 HG13 ILE 571 HG12 ILE 571 -8.072 -7.952 -11.321 304 HG21 ILE 571 HG21 ILE 571 -6.727 -11.579 -10.236 305 HG22 ILE 571 HG22 ILE 571 -8.394 -12.056 -10.641 306 HG23 ILE 571 HG23 ILE 571 -7.340 -11.353 -11.891 307 HD11 ILE 571 HD11 ILE 571 -5.339 -9.254 -11.164 308 HD12 ILE 571 HD12 ILE 571 -5.754 -7.523 -11.197 309 HD13 ILE 571 HD13 ILE 571 -6.051 -8.481 -9.727 310 H SER 572 H SER 572 -8.732 -11.192 -8.498 311 HA SER 572 HA SER 572 -11.095 -12.161 -7.505 312 HB2 SER 572 HB2 SER 572 -10.829 -13.423 -9.842 313 HB3 SER 572 HB3 SER 572 -9.720 -14.436 -8.939 314 HG SER 572 HG SER 572 -11.361 -15.357 -7.903 315 H GLY 573 H GLY 573 -10.044 -11.724 -5.523 316 HA2 GLY 573 HA2 GLY 573 -9.017 -12.716 -3.680 317 HA3 GLY 573 HA3 GLY 573 -8.032 -13.706 -4.739 318 H TYR 574 H TYR 574 -8.228 -10.480 -5.918 319 HA TYR 574 HA TYR 574 -5.550 -9.957 -4.847 320 HB2 TYR 574 HB2 TYR 574 -7.226 -9.288 -7.298 321 HB3 TYR 574 HB3 TYR 574 -5.998 -8.126 -6.837 322 HD1 TYR 574 HD1 TYR 574 -3.600 -8.715 -6.948 323 HD2 TYR 574 HD2 TYR 574 -6.629 -11.452 -8.228 324 HE1 TYR 574 HE1 TYR 574 -1.849 -10.091 -8.173 325 HE2 TYR 574 HE2 TYR 574 -4.867 -12.820 -9.449 326 HH TYR 574 HH TYR 574 -2.009 -11.728 -10.297 327 H ALA 575 H ALA 575 -5.004 -7.678 -4.298 328 HA ALA 575 HA ALA 575 -7.371 -6.279 -3.252 329 HB1 ALA 575 HB1 ALA 575 -6.105 -5.676 -1.322 330 HB2 ALA 575 HB2 ALA 575 -5.811 -7.414 -1.569 331 HB3 ALA 575 HB3 ALA 575 -4.580 -6.225 -2.058 332 H LYS 576 H LYS 576 -7.278 -3.934 -3.293 333 HA LYS 576 HA LYS 576 -5.078 -2.709 -4.677 334 HB2 LYS 576 HB2 LYS 576 -6.066 -2.168 -6.672 335 HB3 LYS 576 HB3 LYS 576 -6.747 -3.761 -6.411 336 HG2 LYS 576 HG2 LYS 576 -8.808 -2.768 -5.465 337 HG3 LYS 576 HG3 LYS 576 -8.123 -1.160 -5.591 338 HD2 LYS 576 HD2 LYS 576 -7.937 -2.504 -8.171 339 HD3 LYS 576 HD3 LYS 576 -9.586 -2.587 -7.584 340 HE2 LYS 576 HE2 LYS 576 -8.237 0.069 -7.271 341 HE3 LYS 576 HE3 LYS 576 -8.558 -0.426 -8.921 342 HZ2 LYS 576 HZ2 LYS 576 -10.397 0.613 -7.127 343 HZ3 LYS 576 HZ3 LYS 576 -10.723 0.024 -8.610 344 H ILE 577 H ILE 577 -4.879 -0.554 -4.107 345 HA ILE 577 HA ILE 577 -7.169 0.745 -2.894 346 HB ILE 577 HB ILE 577 -6.416 0.909 -0.790 347 HG12 ILE 577 HG11 ILE 577 -3.941 0.809 -0.183 348 HG13 ILE 577 HG12 ILE 577 -3.602 0.852 -1.902 349 HG21 ILE 577 HG21 ILE 577 -5.446 -1.145 0.020 350 HG22 ILE 577 HG22 ILE 577 -6.574 -1.512 -1.307 351 HG23 ILE 577 HG23 ILE 577 -4.819 -1.535 -1.599 352 HD11 ILE 577 HD11 ILE 577 -4.069 3.075 -2.050 353 HD12 ILE 577 HD12 ILE 577 -5.564 2.905 -1.099 354 HD13 ILE 577 HD13 ILE 577 -3.997 3.077 -0.271 355 H THR 578 H THR 578 -6.907 3.079 -2.775 356 HA THR 578 HA THR 578 -4.657 4.030 -4.425 357 HB THR 578 HB THR 578 -7.611 4.841 -4.444 358 HG1 THR 578 HG1 THR 578 -5.716 3.774 -6.415 359 HG21 THR 578 HG21 THR 578 -7.015 6.373 -6.256 360 HG22 THR 578 HG22 THR 578 -5.995 6.785 -4.856 361 HG23 THR 578 HG23 THR 578 -5.316 5.842 -6.205 362 H VAL 579 H VAL 579 -3.654 5.949 -3.841 363 HA VAL 579 HA VAL 579 -4.634 7.145 -1.350 364 HB VAL 579 HB VAL 579 -1.859 6.171 -2.014 365 HG11 VAL 579 HG11 VAL 579 -1.038 7.325 -0.020 366 HG12 VAL 579 HG12 VAL 579 -1.693 8.491 -1.194 367 HG13 VAL 579 HG13 VAL 579 -2.643 8.047 0.244 368 HG21 VAL 579 HG21 VAL 579 -2.747 5.659 0.673 369 HG22 VAL 579 HG22 VAL 579 -4.003 5.130 -0.473 370 HG23 VAL 579 HG23 VAL 579 -2.344 4.502 -0.619 371 H ASP 580 H ASP 580 -4.942 9.300 -1.567 372 HA ASP 580 HA ASP 580 -4.071 10.513 -3.990 373 HB2 ASP 580 HB2 ASP 580 -6.264 11.107 -3.159 374 HB3 ASP 580 HB3 ASP 580 -5.639 11.470 -1.563 375 HD2 ASP 580 HD ASP 580 -5.587 13.597 -1.246 376 H ILE 581 H ILE 581 -2.662 12.449 -4.069 377 HA ILE 581 HA ILE 581 -1.348 13.273 -1.651 378 HB ILE 581 HB ILE 581 0.908 12.737 -2.438 379 HG12 ILE 581 HG11 ILE 581 -0.508 11.159 -4.607 380 HG13 ILE 581 HG12 ILE 581 0.472 12.593 -4.840 381 HG21 ILE 581 HG21 ILE 581 -0.322 11.289 -0.830 382 HG22 ILE 581 HG22 ILE 581 -0.815 10.258 -2.194 383 HG23 ILE 581 HG23 ILE 581 0.909 10.426 -1.783 384 HD11 ILE 581 HD11 ILE 581 1.313 9.795 -4.395 385 HD12 ILE 581 HD12 ILE 581 2.204 11.144 -5.141 386 HD13 ILE 581 HD13 ILE 581 2.182 10.964 -3.370 387 H GLY 582 H GLY 582 -2.986 14.874 -2.925 388 HA2 GLY 582 HA2 GLY 582 -2.200 16.157 -5.247 389 HA3 GLY 582 HA3 GLY 582 -3.140 16.867 -3.950 390 H SER 583 H SER 583 -0.652 16.113 -2.115 391 HA SER 583 HA SER 583 1.101 18.219 -3.070 392 HB2 SER 583 HB2 SER 583 -0.517 18.207 -0.566 393 HB3 SER 583 HB3 SER 583 1.163 18.660 -0.355 394 HG SER 583 HG SER 583 0.475 20.034 -2.478 395 H ALA 584 H ALA 584 1.717 15.592 -3.467 396 HA ALA 584 HA ALA 584 4.035 15.268 -1.853 397 HB1 ALA 584 HB1 ALA 584 2.693 12.757 -1.538 398 HB2 ALA 584 HB2 ALA 584 3.250 13.879 -0.274 399 HB3 ALA 584 HB3 ALA 584 1.608 14.037 -0.943 400 H SER 585 H SER 585 5.553 13.951 -2.913 401 HA SER 585 HA SER 585 4.581 12.920 -5.462 402 HB2 SER 585 HB2 SER 585 6.923 14.551 -4.718 403 HB3 SER 585 HB3 SER 585 7.363 13.153 -5.678 404 HG SER 585 HG SER 585 5.359 15.128 -6.378 405 H GLN 586 H GLN 586 5.499 12.016 -2.378 406 HA GLN 586 HA GLN 586 6.158 9.380 -3.324 407 HB2 GLN 586 HB2 GLN 586 8.063 11.166 -1.863 408 HB3 GLN 586 HB3 GLN 586 7.984 9.508 -1.303 409 HG2 GLN 586 HG2 GLN 586 8.726 8.625 -3.362 410 HG3 GLN 586 HG3 GLN 586 8.189 10.020 -4.276 411 HE21 GLN 586 HE12 GLN 586 10.824 8.448 -3.428 412 HE22 GLN 586 HE22 GLN 586 11.995 9.714 -3.268 413 H LEU 587 H LEU 587 5.376 7.752 -1.945 414 HA LEU 587 HA LEU 587 4.531 8.521 0.718 415 HB2 LEU 587 HB2 LEU 587 2.680 9.022 -0.987 416 HB3 LEU 587 HB3 LEU 587 2.526 7.284 -1.154 417 HG LEU 587 HG LEU 587 2.454 8.326 1.626 418 HD11 LEU 587 HD11 LEU 587 0.252 8.906 -0.368 419 HD12 LEU 587 HD12 LEU 587 0.039 8.940 1.399 420 HD13 LEU 587 HD13 LEU 587 1.170 10.071 0.617 421 HD21 LEU 587 HD21 LEU 587 1.223 6.121 0.027 422 HD22 LEU 587 HD22 LEU 587 2.056 6.073 1.599 423 HD23 LEU 587 HD23 LEU 587 0.388 6.686 1.493 424 H GLU 588 H GLU 588 5.043 6.918 2.119 425 HA GLU 588 HA GLU 588 5.909 4.439 0.936 426 HB2 GLU 588 HB2 GLU 588 6.691 3.994 3.348 427 HB3 GLU 588 HB3 GLU 588 7.478 5.307 2.495 428 HG2 GLU 588 HG2 GLU 588 5.022 6.114 3.973 429 HG3 GLU 588 HG3 GLU 588 6.313 5.521 4.999 430 HE2 GLU 588 HE GLU 588 7.862 7.805 5.371 431 H ALA 589 H ALA 589 5.052 2.365 1.489 432 HA ALA 589 HA ALA 589 2.545 2.462 3.019 433 HB1 ALA 589 HB1 ALA 589 1.595 2.164 0.962 434 HB2 ALA 589 HB2 ALA 589 3.096 1.537 0.241 435 HB3 ALA 589 HB3 ALA 589 2.072 0.471 1.233 436 H ALA 590 H ALA 590 2.312 0.855 4.547 437 HA ALA 590 HA ALA 590 4.413 -1.203 4.548 438 HB1 ALA 590 HB1 ALA 590 3.619 -0.897 7.187 439 HB2 ALA 590 HB2 ALA 590 5.081 -0.192 6.458 440 HB3 ALA 590 HB3 ALA 590 3.590 0.773 6.571 441 H PHE 591 H PHE 591 3.742 -3.237 5.709 442 HA PHE 591 HA PHE 591 0.862 -3.659 5.320 443 HB2 PHE 591 HB2 PHE 591 3.408 -5.211 4.749 444 HB3 PHE 591 HB3 PHE 591 2.001 -6.152 5.203 445 HD1 PHE 591 HD1 PHE 591 2.838 -3.339 2.884 446 HD2 PHE 591 HD2 PHE 591 0.701 -6.955 3.486 447 HE1 PHE 591 HE1 PHE 591 2.011 -3.244 0.516 448 HE2 PHE 591 HE2 PHE 591 -0.126 -6.860 1.118 449 HZ PHE 591 HZ PHE 591 0.539 -5.006 -0.339 450 H ASN 592 H ASN 592 -0.316 -4.353 7.057 451 HA ASN 592 HA ASN 592 1.169 -5.572 9.229 452 HB2 ASN 592 HB2 ASN 592 -0.479 -4.184 10.773 453 HB3 ASN 592 HB3 ASN 592 0.972 -3.410 10.165 454 HD21 ASN 592 HD21 ASN 592 -2.156 -2.917 10.704 455 HD22 ASN 592 HD22 ASN 592 -2.574 -1.781 9.465 456 H ASP 593 H ASP 593 -0.044 -7.263 10.226 457 HA ASP 593 HA ASP 593 -2.240 -8.216 8.815 458 HB2 ASP 593 HB2 ASP 593 -2.280 -9.988 10.442 459 HB3 ASP 593 HB3 ASP 593 -0.596 -9.553 10.230 460 HD2 ASP 593 HD ASP 593 -0.038 -9.223 13.400 461 H GLY 594 H GLY 594 -1.798 -6.155 11.695 462 HA2 GLY 594 HA2 GLY 594 -4.435 -5.165 11.635 463 HA3 GLY 594 HA3 GLY 594 -4.315 -6.389 12.884 464 H ASN 595 H ASN 595 -1.555 -5.998 13.658 465 HA ASN 595 HA ASN 595 -0.621 -3.573 14.064 466 HB2 ASN 595 HB2 ASN 595 -3.149 -3.849 15.556 467 HB3 ASN 595 HB3 ASN 595 -1.817 -3.492 16.638 468 HD21 ASN 595 HD21 ASN 595 -4.194 -2.127 14.953 469 HD22 ASN 595 HD22 ASN 595 -3.538 -0.566 14.585 470 H ASN 596 H ASN 596 1.094 -5.282 14.127 471 HA ASN 596 HA ASN 596 2.193 -5.672 16.542 472 HB2 ASN 596 HB2 ASN 596 -0.038 -7.453 16.267 473 HB3 ASN 596 HB3 ASN 596 1.393 -8.446 16.075 474 HD21 ASN 596 HD21 ASN 596 2.563 -9.001 17.784 475 HD22 ASN 596 HD22 ASN 596 2.334 -8.441 19.407 476 H ASN 597 H ASN 597 1.338 -7.234 13.405 477 HA ASN 597 HA ASN 597 4.139 -7.994 13.136 478 HB2 ASN 597 HB2 ASN 597 2.026 -9.680 12.945 479 HB3 ASN 597 HB3 ASN 597 1.995 -9.079 11.299 480 HD21 ASN 597 HD21 ASN 597 2.417 -11.569 11.295 481 HD22 ASN 597 HD22 ASN 597 4.070 -12.046 11.097 482 H TRP 598 H TRP 598 5.140 -6.347 11.944 483 HA TRP 598 HA TRP 598 3.614 -5.230 9.693 484 HB2 TRP 598 HB2 TRP 598 5.840 -4.017 11.340 485 HB3 TRP 598 HB3 TRP 598 5.164 -3.295 9.893 486 HD1 TRP 598 HD TRP 598 3.479 -4.716 13.141 487 HE1 TRP 598 HE1 TRP 598 1.676 -3.019 14.053 488 HE3 TRP 598 HE3 TRP 598 4.194 -1.206 9.532 489 HZ2 TRP 598 HZ2 TRP 598 0.772 -0.456 13.182 490 HZ3 TRP 598 HZ3 TRP 598 2.810 0.865 9.636 491 HH2 TRP 598 HH TRP 598 1.147 1.269 11.381 492 H ASP 599 H ASP 599 4.333 -5.804 7.682 493 HA ASP 599 HA ASP 599 6.920 -7.114 7.589 494 HB2 ASP 599 HB2 ASP 599 4.723 -7.018 5.470 495 HB3 ASP 599 HB3 ASP 599 6.143 -8.045 5.437 496 HD2 ASP 599 HD ASP 599 4.126 -10.227 5.858 497 H SER 600 H SER 600 7.378 -4.475 7.835 498 HA SER 600 HA SER 600 7.304 -3.262 5.218 499 HB2 SER 600 HB2 SER 600 8.252 -2.126 7.886 500 HB3 SER 600 HB3 SER 600 8.050 -1.213 6.405 501 HG SER 600 HG SER 600 5.710 -2.398 6.715 502 H ASN 601 H ASN 601 9.807 -3.236 7.856 503 HA ASN 601 HA ASN 601 11.694 -4.734 6.660 504 HB2 ASN 601 HB2 ASN 601 11.337 -2.416 5.083 505 HB3 ASN 601 HB3 ASN 601 12.752 -2.041 6.046 506 HD21 ASN 601 HD21 ASN 601 14.086 -2.117 4.254 507 HD22 ASN 601 HD22 ASN 601 14.581 -3.595 3.499 508 H ASN 602 H ASN 602 10.726 -3.974 9.259 509 HA ASN 602 HA ASN 602 11.596 -3.712 11.250 510 HB2 ASN 602 HB2 ASN 602 13.943 -3.975 9.781 511 HB3 ASN 602 HB3 ASN 602 14.161 -2.384 10.483 512 HD21 ASN 602 HD21 ASN 602 13.595 -2.216 12.851 513 HD22 ASN 602 HD22 ASN 602 14.137 -3.484 13.898 514 H THR 603 H THR 603 12.797 -1.133 8.967 515 HA THR 603 HA THR 603 11.087 0.859 9.817 516 HB THR 603 HB THR 603 13.503 0.437 11.551 517 HG1 THR 603 HG1 THR 603 10.918 1.824 11.695 518 HG21 THR 603 HG21 THR 603 14.228 2.573 10.723 519 HG22 THR 603 HG22 THR 603 12.555 3.148 10.522 520 HG23 THR 603 HG23 THR 603 13.245 2.969 12.153 521 H LYS 604 H LYS 604 10.976 1.517 7.726 522 HA LYS 604 HA LYS 604 12.574 3.379 6.715 523 HB2 LYS 604 HB2 LYS 604 14.593 2.286 6.643 524 HB3 LYS 604 HB3 LYS 604 13.874 0.716 6.346 525 HG2 LYS 604 HG2 LYS 604 14.945 1.390 4.288 526 HG3 LYS 604 HG3 LYS 604 13.218 1.525 4.024 527 HD2 LYS 604 HD2 LYS 604 13.315 3.793 3.752 528 HD3 LYS 604 HD3 LYS 604 14.377 4.007 5.129 529 HE2 LYS 604 HE2 LYS 604 16.294 3.124 3.679 530 HE3 LYS 604 HE3 LYS 604 15.197 3.160 2.312 531 HZ2 LYS 604 HZ2 LYS 604 15.529 5.361 2.134 532 HZ3 LYS 604 HZ3 LYS 604 15.102 5.643 3.680 533 H ASN 605 H ASN 605 10.649 0.467 6.233 534 HA ASN 605 HA ASN 605 9.292 -0.163 4.629 535 HB2 ASN 605 HB2 ASN 605 8.371 2.691 4.249 536 HB3 ASN 605 HB3 ASN 605 7.406 1.245 4.473 537 HD21 ASN 605 HD21 ASN 605 6.300 1.340 6.262 538 HD22 ASN 605 HD22 ASN 605 6.837 1.910 7.807 539 H TYR 606 H TYR 606 8.121 1.520 2.446 540 HA TYR 606 HA TYR 606 10.520 2.010 0.817 541 HB2 TYR 606 HB2 TYR 606 7.863 0.561 0.253 542 HB3 TYR 606 HB3 TYR 606 8.934 1.054 -1.043 543 HD1 TYR 606 HD2 TYR 606 8.542 -1.230 1.835 544 HD2 TYR 606 HD1 TYR 606 10.977 -0.154 -1.514 545 HE1 TYR 606 HE2 TYR 606 9.839 -3.404 2.071 546 HE2 TYR 606 HE1 TYR 606 12.266 -2.332 -1.267 547 HH TYR 606 HH TYR 606 11.183 -4.834 0.867 548 H LEU 607 H LEU 607 10.014 3.380 -1.161 549 HA LEU 607 HA LEU 607 7.885 5.290 -0.483 550 HB2 LEU 607 HB2 LEU 607 10.730 5.672 -1.272 551 HB3 LEU 607 HB3 LEU 607 9.554 6.811 -1.897 552 HG LEU 607 HG LEU 607 10.049 6.204 1.032 553 HD11 LEU 607 HD11 LEU 607 10.822 8.639 1.007 554 HD12 LEU 607 HD12 LEU 607 11.906 7.428 0.281 555 HD13 LEU 607 HD13 LEU 607 10.911 8.472 -0.763 556 HD21 LEU 607 HD21 LEU 607 7.925 6.903 1.252 557 HD22 LEU 607 HD22 LEU 607 8.627 8.519 1.000 558 HD23 LEU 607 HD23 LEU 607 7.886 7.648 -0.364 559 H PHE 608 H PHE 608 6.338 5.612 -2.007 560 HA PHE 608 HA PHE 608 6.984 4.765 -4.735 561 HB2 PHE 608 HB2 PHE 608 4.319 4.325 -3.279 562 HB3 PHE 608 HB3 PHE 608 4.807 3.613 -4.805 563 HD1 PHE 608 HD1 PHE 608 6.769 1.957 -4.761 564 HD2 PHE 608 HD2 PHE 608 4.689 3.185 -1.272 565 HE1 PHE 608 HE1 PHE 608 7.610 -0.072 -3.545 566 HE2 PHE 608 HE2 PHE 608 5.531 1.157 -0.056 567 HZ PHE 608 HZ PHE 608 6.982 -0.447 -1.207 568 H SER 609 H SER 609 5.923 5.940 -6.402 569 HA SER 609 HA SER 609 4.608 8.339 -5.395 570 HB2 SER 609 HB2 SER 609 6.792 8.669 -6.605 571 HB3 SER 609 HB3 SER 609 6.084 7.947 -8.036 572 HG SER 609 HG SER 609 4.793 10.180 -6.768 573 H THR 610 H THR 610 2.977 9.305 -7.061 574 HA THR 610 HA THR 610 0.861 7.676 -7.435 575 HB THR 610 HB THR 610 0.143 9.397 -9.114 576 HG1 THR 610 HG1 THR 610 1.808 10.764 -9.926 577 HG21 THR 610 HG21 THR 610 1.567 11.343 -7.549 578 HG22 THR 610 HG22 THR 610 -0.128 10.832 -7.359 579 HG23 THR 610 HG23 THR 610 1.160 9.995 -6.461 580 H GLY 611 H GLY 611 -0.177 6.836 -9.466 581 HA2 GLY 611 HA2 GLY 611 0.292 6.075 -11.737 582 HA3 GLY 611 HA3 GLY 611 1.878 5.576 -11.184 583 H THR 612 H THR 612 1.841 3.353 -11.384 584 HA THR 612 HA THR 612 -0.231 1.975 -9.816 585 HB THR 612 HB THR 612 0.851 0.882 -12.439 586 HG1 THR 612 HG1 THR 612 -0.042 3.033 -12.821 587 HG21 THR 612 HG21 THR 612 -0.550 -0.683 -11.205 588 HG22 THR 612 HG22 THR 612 -1.729 0.594 -10.820 589 HG23 THR 612 HG23 THR 612 -1.567 0.007 -12.493 590 H SER 613 H SER 613 0.461 0.364 -8.491 591 HA SER 613 HA SER 613 3.174 -0.557 -8.887 592 HB2 SER 613 HB2 SER 613 3.748 -0.201 -6.509 593 HB3 SER 613 HB3 SER 613 3.387 1.319 -7.303 594 HG SER 613 HG SER 613 2.370 1.024 -5.156 595 H THR 614 H THR 614 3.621 -2.581 -7.588 596 HA THR 614 HA THR 614 1.168 -3.900 -6.666 597 HB THR 614 HB THR 614 3.211 -5.293 -8.446 598 HG1 THR 614 HG1 THR 614 0.849 -3.651 -8.995 599 HG21 THR 614 HG21 THR 614 0.782 -6.308 -9.091 600 HG22 THR 614 HG22 THR 614 1.733 -6.960 -7.735 601 HG23 THR 614 HG23 THR 614 0.420 -5.799 -7.424 602 H TYR 615 H TYR 615 1.440 -4.434 -4.600 603 HA TYR 615 HA TYR 615 4.171 -4.894 -3.673 604 HB2 TYR 615 HB2 TYR 615 1.757 -3.621 -2.750 605 HB3 TYR 615 HB3 TYR 615 1.931 -5.045 -1.745 606 HD1 TYR 615 HD1 TYR 615 4.681 -5.347 -1.129 607 HD2 TYR 615 HD2 TYR 615 2.501 -1.708 -1.685 608 HE1 TYR 615 HE1 TYR 615 6.362 -4.109 0.323 609 HE2 TYR 615 HE2 TYR 615 4.189 -0.483 -0.231 610 HH TYR 615 HH TYR 615 6.249 -0.622 0.638 611 H THR 616 H THR 616 4.917 -6.947 -3.555 612 HA THR 616 HA THR 616 2.929 -9.054 -3.008 613 HB THR 616 HB THR 616 5.467 -9.187 -4.721 614 HG1 THR 616 HG1 THR 616 2.579 -8.974 -5.164 615 HG21 THR 616 HG21 THR 616 4.209 -11.288 -5.567 616 HG22 THR 616 HG22 THR 616 4.954 -11.426 -3.956 617 HG23 THR 616 HG23 THR 616 3.203 -11.144 -4.105 618 HA PRO 617 HA PRO 617 5.718 -9.141 0.450 619 HB2 PRO 617 HB2 PRO 617 3.833 -9.680 2.354 620 HB3 PRO 617 HB3 PRO 617 4.334 -8.054 1.935 621 HG2 PRO 617 HG2 PRO 617 1.836 -9.465 1.223 622 HG3 PRO 617 HG3 PRO 617 2.173 -7.746 1.188 623 HD2 PRO 617 HD2 PRO 617 2.061 -9.519 -1.063 624 HD3 PRO 617 HD3 PRO 617 2.511 -7.826 -1.084 625 H GLY 618 H GLY 618 6.454 -10.828 1.936 626 HA2 GLY 618 HA2 GLY 618 6.273 -13.352 0.594 627 HA3 GLY 618 HA3 GLY 618 7.151 -12.978 2.064 628 H SER 619 H SER 619 6.398 -14.998 3.013 629 HA SER 619 HA SER 619 3.704 -14.683 4.048 630 HB2 SER 619 HB2 SER 619 4.857 -17.274 2.923 631 HB3 SER 619 HB3 SER 619 3.337 -17.154 3.786 632 HG SER 619 HG SER 619 2.422 -16.631 1.933 633 H ASN 620 H ASN 620 5.988 -13.875 5.410 634 HA ASN 620 HA ASN 620 5.788 -15.272 7.752 635 HB2 ASN 620 HB2 ASN 620 7.196 -16.921 6.194 636 HB3 ASN 620 HB3 ASN 620 8.520 -15.827 6.541 637 HD21 ASN 620 HD21 ASN 620 6.801 -18.500 7.551 638 HD22 ASN 620 HD22 ASN 620 7.355 -18.635 9.186 639 H GLY 621 H GLY 621 5.625 -12.692 7.601 640 HA2 GLY 621 HA2 GLY 621 6.547 -10.627 7.837 641 HA3 GLY 621 HA3 GLY 621 7.423 -11.439 9.119 642 H ALA 622 H ALA 622 7.642 -11.672 5.496 643 HA ALA 622 HA ALA 622 10.457 -10.867 5.764 644 HB1 ALA 622 HB1 ALA 622 9.503 -13.379 5.036 645 HB2 ALA 622 HB2 ALA 622 9.820 -12.590 3.472 646 HB3 ALA 622 HB3 ALA 622 11.122 -12.731 4.678 647 H ALA 623 H ALA 623 10.464 -8.774 5.050 648 HA ALA 623 HA ALA 623 8.659 -7.556 3.442 649 HB1 ALA 623 HB1 ALA 623 10.510 -6.470 4.698 650 HB2 ALA 623 HB2 ALA 623 11.668 -7.086 3.494 651 HB3 ALA 623 HB3 ALA 623 10.423 -5.909 3.011 652 H GLY 624 H GLY 624 7.925 -7.958 1.422 653 HA2 GLY 624 HA2 GLY 624 9.442 -9.692 -0.332 654 HA3 GLY 624 HA3 GLY 624 7.827 -9.059 -0.580 655 H THR 625 H THR 625 7.786 -7.880 -2.445 656 HA THR 625 HA THR 625 9.586 -5.629 -2.665 657 HB THR 625 HB THR 625 10.215 -6.434 -5.047 658 HG1 THR 625 HG1 THR 625 8.676 -8.158 -5.195 659 HG21 THR 625 HG21 THR 625 11.178 -8.383 -2.910 660 HG22 THR 625 HG22 THR 625 12.080 -7.744 -4.306 661 HG23 THR 625 HG23 THR 625 11.725 -6.689 -2.917 662 H ILE 626 H ILE 626 8.938 -4.127 -4.393 663 HA ILE 626 HA ILE 626 6.095 -4.508 -5.034 664 HB ILE 626 HB ILE 626 7.204 -1.770 -4.826 665 HG12 ILE 626 HG11 ILE 626 6.483 -2.070 -2.252 666 HG13 ILE 626 HG12 ILE 626 7.127 -3.674 -2.536 667 HG21 ILE 626 HG21 ILE 626 4.860 -1.746 -3.516 668 HG22 ILE 626 HG22 ILE 626 4.995 -1.607 -5.285 669 HG23 ILE 626 HG23 ILE 626 4.605 -3.177 -4.543 670 HD11 ILE 626 HD11 ILE 626 9.246 -2.888 -2.432 671 HD12 ILE 626 HD12 ILE 626 8.910 -1.727 -3.739 672 HD13 ILE 626 HD13 ILE 626 8.591 -1.278 -2.046 673 H ARG 627 H ARG 627 5.602 -4.555 -7.165 674 HA ARG 627 HA ARG 627 7.727 -3.684 -8.946 675 HB2 ARG 627 HB2 ARG 627 6.525 -6.139 -8.852 676 HB3 ARG 627 HB3 ARG 627 5.444 -5.345 -9.979 677 HG2 ARG 627 HG2 ARG 627 6.970 -5.910 -11.577 678 HG3 ARG 627 HG3 ARG 627 7.913 -4.565 -10.964 679 HD2 ARG 627 HD1 ARG 627 9.551 -6.094 -10.537 680 HD3 ARG 627 HD2 ARG 627 8.572 -6.601 -9.174 681 HE ARG 627 HE ARG 627 8.015 -8.557 -10.333 682 HH11 ARG 627 HH22 ARG 627 9.272 -6.186 -12.647 683 HH12 ARG 627 HH21 ARG 627 9.296 -7.305 -13.969 684 HH22 ARG 627 HH1 ARG 627 8.570 -9.561 -13.611 685 H THR 628 H THR 628 7.343 -1.866 -10.185 686 HA THR 628 HA THR 628 4.775 -0.597 -10.014 687 HB THR 628 HB THR 628 6.654 0.563 -11.929 688 HG1 THR 628 HG1 THR 628 8.438 0.617 -10.381 689 HG21 THR 628 HG21 THR 628 6.737 2.390 -10.270 690 HG22 THR 628 HG22 THR 628 5.050 1.851 -10.445 691 HG23 THR 628 HG23 THR 628 6.007 1.336 -9.035 692 H GLY 629 H GLY 629 3.329 -0.100 -11.706 693 HA2 GLY 629 HA2 GLY 629 2.796 -0.236 -14.043 694 HA3 GLY 629 HA3 GLY 629 3.695 -1.737 -14.138 695 H ALA 630 H ALA 630 0.749 -0.968 -14.659 696 HA ALA 630 HA ALA 630 -0.859 -2.106 -12.692 697 HB1 ALA 630 HB1 ALA 630 -2.054 -0.861 -14.221 698 HB2 ALA 630 HB2 ALA 630 -1.085 -1.426 -15.603 699 HB3 ALA 630 HB3 ALA 630 -2.330 -2.484 -14.897 700 HA PRO 631 HA PRO 631 0.275 -6.283 -13.278 701 HB2 PRO 631 HB2 PRO 631 -1.238 -7.344 -11.265 702 HB3 PRO 631 HB3 PRO 631 0.359 -6.670 -11.009 703 HG2 PRO 631 HG2 PRO 631 -2.272 -5.507 -10.331 704 HG3 PRO 631 HG3 PRO 631 -0.689 -5.071 -9.720 705 HD2 PRO 631 HD2 PRO 631 -2.228 -3.642 -11.674 706 HD3 PRO 631 HD3 PRO 631 -0.598 -3.271 -11.148 707 H SER 632 H SER 632 -0.581 -8.354 -13.960 708 HA SER 632 HA SER 632 -3.372 -8.240 -14.620 709 HB2 SER 632 HB2 SER 632 -1.721 -7.269 -16.535 710 HB3 SER 632 HB3 SER 632 -1.582 -8.974 -16.917 711 HG SER 632 HG SER 632 -3.676 -9.069 -17.536 712 H GLY 633 H GLY 633 -3.123 -9.957 -12.893 713 HA2 GLY 633 HA2 GLY 633 -2.784 -12.078 -12.183 714 HA3 GLY 633 HA3 GLY 633 -3.417 -12.492 -13.764 Start of MODEL 14 1 H1 GLY 530 H GLY 530 -10.167 12.799 -7.779 2 HA2 GLY 530 HA2 GLY 530 -11.959 14.022 -7.159 3 HA3 GLY 530 HA3 GLY 530 -12.302 12.658 -6.113 4 H GLY 531 H GLY 531 -10.479 12.702 -4.102 5 HA2 GLY 531 HA2 GLY 531 -11.350 14.774 -2.437 6 HA3 GLY 531 HA3 GLY 531 -10.009 13.686 -2.139 7 H THR 532 H THR 532 -7.950 14.190 -3.595 8 HA THR 532 HA THR 532 -7.554 17.104 -3.448 9 HB THR 532 HB THR 532 -5.180 16.505 -3.031 10 HG1 THR 532 HG1 THR 532 -4.749 14.157 -2.973 11 HG21 THR 532 HG21 THR 532 -7.375 15.399 -1.344 12 HG22 THR 532 HG22 THR 532 -5.804 14.592 -1.121 13 HG23 THR 532 HG23 THR 532 -5.949 16.347 -0.860 14 H THR 533 H THR 533 -5.546 14.668 -5.132 15 HA THR 533 HA THR 533 -6.571 15.241 -7.706 16 HB THR 533 HB THR 533 -4.249 16.877 -6.630 17 HG1 THR 533 HG1 THR 533 -5.771 18.380 -7.223 18 HG21 THR 533 HG21 THR 533 -4.828 16.607 -9.601 19 HG22 THR 533 HG22 THR 533 -3.389 17.289 -8.805 20 HG23 THR 533 HG23 THR 533 -3.641 15.527 -8.830 21 H ASN 534 H ASN 534 -3.159 14.850 -6.582 22 HA ASN 534 HA ASN 534 -2.769 12.729 -8.334 23 HB2 ASN 534 HB2 ASN 534 -1.108 13.080 -5.815 24 HB3 ASN 534 HB3 ASN 534 -0.568 12.634 -7.422 25 HD21 ASN 534 HD21 ASN 534 0.698 14.582 -5.999 26 HD22 ASN 534 HD22 ASN 534 0.453 16.139 -6.716 27 H LYS 535 H LYS 535 -2.603 10.420 -7.871 28 HA LYS 535 HA LYS 535 -3.357 9.574 -5.192 29 HB2 LYS 535 HB2 LYS 535 -4.916 8.853 -7.690 30 HB3 LYS 535 HB3 LYS 535 -5.063 8.007 -6.162 31 HG2 LYS 535 HG2 LYS 535 -5.841 10.023 -5.028 32 HG3 LYS 535 HG3 LYS 535 -5.462 11.021 -6.418 33 HD2 LYS 535 HD2 LYS 535 -7.483 8.738 -6.525 34 HD3 LYS 535 HD3 LYS 535 -7.934 10.386 -6.138 35 HE2 LYS 535 HE2 LYS 535 -7.989 10.913 -8.343 36 HE3 LYS 535 HE3 LYS 535 -6.298 10.485 -8.507 37 HZ2 LYS 535 HZ2 LYS 535 -8.408 8.408 -8.525 38 HZ3 LYS 535 HZ3 LYS 535 -7.946 9.158 -9.894 39 H VAL 536 H VAL 536 -2.598 7.472 -4.659 40 HA VAL 536 HA VAL 536 -0.745 6.392 -6.670 41 HB VAL 536 HB VAL 536 0.463 5.509 -4.617 42 HG11 VAL 536 HG11 VAL 536 1.240 8.054 -4.107 43 HG12 VAL 536 HG12 VAL 536 1.732 7.138 -5.552 44 HG13 VAL 536 HG13 VAL 536 0.379 8.291 -5.647 45 HG21 VAL 536 HG21 VAL 536 -1.560 6.051 -3.112 46 HG22 VAL 536 HG22 VAL 536 0.066 6.417 -2.489 47 HG23 VAL 536 HG23 VAL 536 -0.955 7.724 -3.133 48 H THR 537 H THR 537 -1.298 4.432 -7.462 49 HA THR 537 HA THR 537 -3.241 2.870 -5.907 50 HB THR 537 HB THR 537 -2.467 2.836 -8.873 51 HG1 THR 537 HG1 THR 537 -4.367 4.102 -9.001 52 HG21 THR 537 HG21 THR 537 -3.397 0.649 -8.249 53 HG22 THR 537 HG22 THR 537 -4.671 1.428 -7.279 54 HG23 THR 537 HG23 THR 537 -4.680 1.586 -9.052 55 H VAL 538 H VAL 538 -2.642 1.076 -4.874 56 HA VAL 538 HA VAL 538 -0.167 -0.204 -5.805 57 HB VAL 538 HB VAL 538 -1.057 0.042 -2.930 58 HG11 VAL 538 HG11 VAL 538 1.208 -1.253 -4.351 59 HG12 VAL 538 HG12 VAL 538 1.610 -0.386 -2.849 60 HG13 VAL 538 HG13 VAL 538 0.403 -1.694 -2.826 61 HG21 VAL 538 HG21 VAL 538 -0.530 2.272 -3.964 62 HG22 VAL 538 HG22 VAL 538 0.535 1.811 -2.615 63 HG23 VAL 538 HG23 VAL 538 1.111 1.668 -4.293 64 H TYR 539 H TYR 539 -0.220 -2.443 -5.968 65 HA TYR 539 HA TYR 539 -2.812 -3.660 -5.285 66 HB2 TYR 539 HB2 TYR 539 -0.973 -3.598 -7.650 67 HB3 TYR 539 HB3 TYR 539 -1.457 -5.225 -7.216 68 HD1 TYR 539 HD1 TYR 539 -2.837 -1.858 -8.056 69 HD2 TYR 539 HD2 TYR 539 -3.555 -6.072 -7.877 70 HE1 TYR 539 HE1 TYR 539 -5.034 -1.543 -9.295 71 HE2 TYR 539 HE2 TYR 539 -5.750 -5.743 -9.117 72 HH TYR 539 HH TYR 539 -6.899 -2.492 -9.917 73 H TYR 540 H TYR 540 -2.733 -5.184 -3.717 74 HA TYR 540 HA TYR 540 -0.144 -6.525 -3.308 75 HB2 TYR 540 HB2 TYR 540 -0.625 -5.150 -1.377 76 HB3 TYR 540 HB3 TYR 540 -2.354 -5.391 -1.534 77 HD1 TYR 540 HD2 TYR 540 0.488 -7.834 -1.292 78 HD2 TYR 540 HD1 TYR 540 -3.143 -6.361 0.425 79 HE1 TYR 540 HE2 TYR 540 0.577 -9.657 0.478 80 HE2 TYR 540 HE1 TYR 540 -3.042 -8.189 2.189 81 HH TYR 540 HH TYR 540 -1.982 -9.910 2.935 82 H LYS 541 H LYS 541 -0.127 -8.764 -3.087 83 HA LYS 541 HA LYS 541 -2.580 -10.064 -3.919 84 HB2 LYS 541 HB2 LYS 541 -0.252 -10.473 -4.920 85 HB3 LYS 541 HB3 LYS 541 0.112 -11.356 -3.451 86 HG2 LYS 541 HG2 LYS 541 -2.312 -12.473 -4.071 87 HG3 LYS 541 HG3 LYS 541 -1.754 -12.067 -5.681 88 HD2 LYS 541 HD2 LYS 541 -0.380 -13.867 -5.670 89 HD3 LYS 541 HD3 LYS 541 0.487 -13.207 -4.297 90 HE2 LYS 541 HE2 LYS 541 -0.763 -14.436 -2.729 91 HE3 LYS 541 HE3 LYS 541 -2.162 -14.560 -3.777 92 HZ2 LYS 541 HZ2 LYS 541 -1.316 -16.406 -4.769 93 HZ3 LYS 541 HZ3 LYS 541 0.217 -15.858 -4.807 94 H LYS 542 H LYS 542 -4.035 -10.710 -2.433 95 HA LYS 542 HA LYS 542 -3.159 -11.042 0.301 96 HB2 LYS 542 HB2 LYS 542 -5.134 -9.932 0.388 97 HB3 LYS 542 HB3 LYS 542 -5.721 -10.604 -1.120 98 HG2 LYS 542 HG2 LYS 542 -6.595 -12.514 -0.104 99 HG3 LYS 542 HG3 LYS 542 -5.402 -12.514 1.180 100 HD2 LYS 542 HD2 LYS 542 -7.778 -11.888 1.893 101 HD3 LYS 542 HD3 LYS 542 -6.527 -10.764 2.384 102 HE2 LYS 542 HE2 LYS 542 -7.287 -9.087 0.989 103 HE3 LYS 542 HE3 LYS 542 -7.721 -10.200 -0.292 104 HZ2 LYS 542 HZ2 LYS 542 -9.809 -10.443 0.552 105 HZ3 LYS 542 HZ3 LYS 542 -9.342 -10.406 2.112 106 H GLY 543 H GLY 543 -3.325 -14.481 0.791 107 HA2 GLY 543 HA2 GLY 543 -2.051 -12.461 1.856 108 HA3 GLY 543 HA3 GLY 543 -3.639 -11.727 1.742 109 H PHE 544 H PHE 544 -4.535 -11.719 3.764 110 HA PHE 544 HA PHE 544 -4.373 -14.242 5.260 111 HB2 PHE 544 HB2 PHE 544 -4.730 -11.361 6.275 112 HB3 PHE 544 HB3 PHE 544 -4.429 -12.770 7.273 113 HD1 PHE 544 HD1 PHE 544 -2.868 -10.856 4.475 114 HD2 PHE 544 HD2 PHE 544 -2.263 -13.203 7.958 115 HE1 PHE 544 HE1 PHE 544 -0.399 -10.425 4.336 116 HE2 PHE 544 HE2 PHE 544 0.206 -12.772 7.820 117 HZ PHE 544 HZ PHE 544 1.109 -11.389 6.011 118 H ASN 545 H ASN 545 -6.249 -12.264 7.076 119 HA ASN 545 HA ASN 545 -8.654 -13.173 5.702 120 HB2 ASN 545 HB2 ASN 545 -8.597 -12.435 8.645 121 HB3 ASN 545 HB3 ASN 545 -9.670 -13.548 7.821 122 HD21 ASN 545 HD21 ASN 545 -8.165 -15.232 6.476 123 HD22 ASN 545 HD22 ASN 545 -7.072 -16.123 7.482 124 H SER 546 H SER 546 -7.460 -10.700 8.113 125 HA SER 546 HA SER 546 -8.899 -8.697 6.584 126 HB2 SER 546 HB2 SER 546 -9.291 -9.421 9.471 127 HB3 SER 546 HB3 SER 546 -9.309 -7.714 9.075 128 HG SER 546 HG SER 546 -10.839 -9.403 7.385 129 HA PRO 547 HA PRO 547 -4.628 -7.553 7.807 130 HB2 PRO 547 HB2 PRO 547 -3.506 -7.387 5.320 131 HB3 PRO 547 HB3 PRO 547 -3.384 -8.812 6.333 132 HG2 PRO 547 HG2 PRO 547 -5.071 -8.374 3.946 133 HG3 PRO 547 HG3 PRO 547 -4.615 -9.886 4.706 134 HD2 PRO 547 HD2 PRO 547 -7.152 -8.562 4.904 135 HD3 PRO 547 HD3 PRO 547 -6.657 -10.012 5.755 136 H TYR 548 H TYR 548 -3.753 -5.505 7.998 137 HA TYR 548 HA TYR 548 -5.300 -3.521 6.467 138 HB2 TYR 548 HB2 TYR 548 -4.535 -3.947 9.341 139 HB3 TYR 548 HB3 TYR 548 -4.233 -2.314 8.781 140 HD1 TYR 548 HD2 TYR 548 -6.084 -0.833 8.152 141 HD2 TYR 548 HD1 TYR 548 -6.816 -4.815 9.536 142 HE1 TYR 548 HE2 TYR 548 -8.534 -0.262 8.521 143 HE2 TYR 548 HE1 TYR 548 -9.263 -4.230 9.901 144 HH TYR 548 HH TYR 548 -10.554 -2.104 10.369 145 H ILE 549 H ILE 549 -4.181 -1.681 5.671 146 HA ILE 549 HA ILE 549 -1.257 -1.966 5.777 147 HB ILE 549 HB ILE 549 -1.583 -2.407 3.598 148 HG12 ILE 549 HG11 ILE 549 -1.980 0.564 3.266 149 HG13 ILE 549 HG12 ILE 549 -0.487 -0.077 3.925 150 HG21 ILE 549 HG21 ILE 549 -3.522 -1.334 2.269 151 HG22 ILE 549 HG22 ILE 549 -3.893 -2.621 3.441 152 HG23 ILE 549 HG23 ILE 549 -4.185 -0.918 3.868 153 HD11 ILE 549 HD11 ILE 549 -1.156 -1.655 1.611 154 HD12 ILE 549 HD12 ILE 549 -1.294 0.064 1.170 155 HD13 ILE 549 HD13 ILE 549 0.232 -0.564 1.837 156 H HIS 550 H HIS 550 -0.016 -0.082 6.091 157 HA HIS 550 HA HIS 550 -1.593 2.315 6.663 158 HB2 HIS 550 HB2 HIS 550 -0.934 1.045 8.741 159 HB3 HIS 550 HB3 HIS 550 0.743 1.352 8.332 160 HD1 HIS 550 HD1 HIS 550 -1.753 4.085 7.685 161 HD2 HIS 550 HE2 HIS 550 1.009 2.987 10.645 162 HE1 HIS 550 HE1 HIS 550 -1.502 6.111 9.215 163 H TYR 551 H TYR 551 -0.967 3.953 5.357 164 HA TYR 551 HA TYR 551 1.872 4.042 4.602 165 HB2 TYR 551 HB2 TYR 551 0.582 5.113 2.441 166 HB3 TYR 551 HB3 TYR 551 0.887 3.391 2.551 167 HD1 TYR 551 HD2 TYR 551 -1.703 5.896 3.612 168 HD2 TYR 551 HD1 TYR 551 -0.892 1.940 2.201 169 HE1 TYR 551 HE2 TYR 551 -4.198 5.436 3.445 170 HE2 TYR 551 HE1 TYR 551 -3.390 1.493 2.039 171 HH TYR 551 HH TYR 551 -5.418 2.683 1.819 172 H ARG 552 H ARG 552 2.584 6.245 3.891 173 HA ARG 552 HA ARG 552 0.848 8.320 4.921 174 HB2 ARG 552 HB2 ARG 552 2.200 8.691 6.714 175 HB3 ARG 552 HB3 ARG 552 3.265 7.396 6.205 176 HG2 ARG 552 HG2 ARG 552 4.522 8.934 4.744 177 HG3 ARG 552 HG3 ARG 552 3.393 10.232 5.077 178 HD2 ARG 552 HD2 ARG 552 4.058 10.296 7.439 179 HD3 ARG 552 HD3 ARG 552 5.039 8.855 7.252 180 HE ARG 552 HE ARG 552 6.036 10.656 5.348 181 HH11 ARG 552 HH22 ARG 552 5.642 10.648 8.869 182 HH12 ARG 552 HH21 ARG 552 6.994 11.694 9.148 183 HH22 ARG 552 HH1 ARG 552 8.260 12.498 7.278 184 HA PRO 553 HA PRO 553 2.348 10.419 1.405 185 HB2 PRO 553 HB2 PRO 553 1.941 13.038 2.070 186 HB3 PRO 553 HB3 PRO 553 0.661 11.983 1.505 187 HG2 PRO 553 HG2 PRO 553 1.197 12.940 4.250 188 HG3 PRO 553 HG3 PRO 553 -0.277 12.255 3.594 189 HD2 PRO 553 HD2 PRO 553 1.628 10.932 5.282 190 HD3 PRO 553 HD3 PRO 553 0.216 10.215 4.532 191 H ALA 554 H ALA 554 4.051 11.574 0.377 192 HA ALA 554 HA ALA 554 6.486 11.165 1.180 193 HB1 ALA 554 HB1 ALA 554 5.290 13.654 -0.055 194 HB2 ALA 554 HB2 ALA 554 7.045 13.519 0.211 195 HB3 ALA 554 HB3 ALA 554 6.211 12.346 -0.836 196 H GLY 555 H GLY 555 5.140 14.429 2.022 197 HA2 GLY 555 HA2 GLY 555 6.393 14.132 4.684 198 HA3 GLY 555 HA3 GLY 555 6.606 15.573 3.710 199 H GLY 556 H GLY 556 4.216 13.563 5.475 200 HA2 GLY 556 HA2 GLY 556 2.583 15.979 5.852 201 HA3 GLY 556 HA3 GLY 556 1.830 14.529 5.218 202 H SER 557 H SER 557 1.573 12.649 6.558 203 HA SER 557 HA SER 557 2.659 12.626 9.160 204 HB2 SER 557 HB2 SER 557 0.929 14.236 9.680 205 HB3 SER 557 HB3 SER 557 -0.284 13.318 8.809 206 HG SER 557 HG SER 557 -0.711 12.429 10.708 207 H TRP 558 H TRP 558 1.218 10.760 10.467 208 HA TRP 558 HA TRP 558 0.992 8.595 8.498 209 HB2 TRP 558 HB2 TRP 558 1.938 8.724 11.332 210 HB3 TRP 558 HB3 TRP 558 1.219 7.238 10.744 211 HD1 TRP 558 HD TRP 558 4.447 9.201 10.590 212 HE1 TRP 558 HE1 TRP 558 6.298 7.976 9.161 213 HE3 TRP 558 HE3 TRP 558 1.342 5.700 8.602 214 HZ2 TRP 558 HZ2 TRP 558 6.256 5.732 7.399 215 HZ3 TRP 558 HZ3 TRP 558 2.326 4.028 7.036 216 HH2 TRP 558 HH TRP 558 4.694 4.007 6.428 217 H THR 559 H THR 559 -1.100 8.116 7.986 218 HA THR 559 HA THR 559 -3.326 9.152 9.176 219 HB THR 559 HB THR 559 -3.115 6.387 7.883 220 HG1 THR 559 HG1 THR 559 -3.294 9.103 6.779 221 HG21 THR 559 HG21 THR 559 -5.251 8.533 8.149 222 HG22 THR 559 HG22 THR 559 -5.228 7.483 6.712 223 HG23 THR 559 HG23 THR 559 -5.415 6.770 8.333 224 H ALA 560 H ALA 560 -5.154 7.698 10.206 225 HA ALA 560 HA ALA 560 -4.156 7.038 12.784 226 HB1 ALA 560 HB1 ALA 560 -6.343 8.111 12.405 227 HB2 ALA 560 HB2 ALA 560 -6.901 6.675 11.513 228 HB3 ALA 560 HB3 ALA 560 -6.536 6.557 13.252 229 H ALA 561 H ALA 561 -2.974 5.210 13.103 230 HA ALA 561 HA ALA 561 -3.201 2.957 11.420 231 HB1 ALA 561 HB1 ALA 561 -1.914 3.386 14.146 232 HB2 ALA 561 HB2 ALA 561 -1.692 1.932 13.142 233 HB3 ALA 561 HB3 ALA 561 -1.124 3.514 12.556 234 HA PRO 562 HA PRO 562 -3.206 1.109 11.226 235 HB2 PRO 562 HB2 PRO 562 -4.854 -0.644 9.930 236 HB3 PRO 562 HB3 PRO 562 -3.756 -1.127 11.206 237 HG2 PRO 562 HG2 PRO 562 -6.691 -0.795 11.315 238 HG3 PRO 562 HG3 PRO 562 -5.643 -1.666 12.417 239 HD2 PRO 562 HD2 PRO 562 -6.830 0.909 12.851 240 HD3 PRO 562 HD3 PRO 562 -5.691 0.089 13.901 241 H GLY 563 H GLY 563 -2.888 1.736 9.080 242 HA2 GLY 563 HA2 GLY 563 -4.051 4.033 8.269 243 HA3 GLY 563 HA3 GLY 563 -3.411 2.828 7.170 244 H VAL 564 H VAL 564 -4.805 1.562 5.915 245 HA VAL 564 HA VAL 564 -7.657 1.770 6.529 246 HB VAL 564 HB VAL 564 -6.711 2.030 3.702 247 HG11 VAL 564 HG11 VAL 564 -9.209 2.465 5.259 248 HG12 VAL 564 HG12 VAL 564 -8.891 3.600 3.925 249 HG13 VAL 564 HG13 VAL 564 -8.976 1.852 3.604 250 HG21 VAL 564 HG21 VAL 564 -5.445 3.765 4.825 251 HG22 VAL 564 HG22 VAL 564 -6.789 4.508 3.924 252 HG23 VAL 564 HG23 VAL 564 -6.899 4.317 5.691 253 H LYS 565 H LYS 565 -8.941 0.050 5.440 254 HA LYS 565 HA LYS 565 -7.379 -2.384 5.394 255 HB2 LYS 565 HB2 LYS 565 -9.393 -2.376 6.719 256 HB3 LYS 565 HB3 LYS 565 -10.357 -1.828 5.362 257 HG2 LYS 565 HG2 LYS 565 -10.753 -4.017 4.901 258 HG3 LYS 565 HG3 LYS 565 -9.094 -4.112 4.344 259 HD2 LYS 565 HD2 LYS 565 -8.314 -4.842 6.537 260 HD3 LYS 565 HD3 LYS 565 -9.872 -4.507 7.267 261 HE2 LYS 565 HE2 LYS 565 -9.850 -6.876 6.923 262 HE3 LYS 565 HE3 LYS 565 -10.874 -6.245 5.648 263 HZ2 LYS 565 HZ2 LYS 565 -9.210 -7.839 4.810 264 HZ3 LYS 565 HZ3 LYS 565 -8.999 -6.380 4.120 265 H MET 566 H MET 566 -6.473 -3.118 3.556 266 HA MET 566 HA MET 566 -6.518 -2.074 1.169 267 HB2 MET 566 HB2 MET 566 -6.361 -4.905 2.173 268 HB3 MET 566 HB3 MET 566 -6.576 -4.739 0.442 269 HG2 MET 566 HG2 MET 566 -4.522 -2.909 1.579 270 HG3 MET 566 HG3 MET 566 -4.135 -4.609 1.757 271 HE1 MET 566 HE1 MET 566 -2.207 -3.194 -1.452 272 HE2 MET 566 HE2 MET 566 -2.805 -2.135 -0.153 273 HE3 MET 566 HE3 MET 566 -2.037 -3.689 0.249 274 H GLN 567 H GLN 567 -7.654 -2.313 -0.877 275 HA GLN 567 HA GLN 567 -10.412 -3.181 -0.476 276 HB2 GLN 567 HB2 GLN 567 -9.256 -0.770 -1.868 277 HB3 GLN 567 HB3 GLN 567 -10.741 -1.457 -2.495 278 HG2 GLN 567 HG2 GLN 567 -10.561 -1.012 0.480 279 HG3 GLN 567 HG3 GLN 567 -10.739 0.402 -0.539 280 HE21 GLN 567 HE12 GLN 567 -12.511 -1.121 1.390 281 HE22 GLN 567 HE22 GLN 567 -14.010 -1.355 0.553 282 H ASP 568 H ASP 568 -10.731 -5.099 -1.519 283 HA ASP 568 HA ASP 568 -9.162 -6.388 -3.156 284 HB2 ASP 568 HB2 ASP 568 -10.980 -7.733 -3.642 285 HB3 ASP 568 HB3 ASP 568 -11.693 -6.784 -2.353 286 HD2 ASP 568 HD ASP 568 -13.972 -5.315 -3.886 287 H ALA 569 H ALA 569 -8.736 -6.513 -5.471 288 HA ALA 569 HA ALA 569 -9.160 -4.003 -6.842 289 HB1 ALA 569 HB1 ALA 569 -7.397 -4.671 -8.200 290 HB2 ALA 569 HB2 ALA 569 -7.007 -5.536 -6.694 291 HB3 ALA 569 HB3 ALA 569 -7.788 -6.400 -8.040 292 H GLU 570 H GLU 570 -9.052 -5.435 -9.512 293 HA GLU 570 HA GLU 570 -11.829 -6.332 -9.509 294 HB2 GLU 570 HB2 GLU 570 -12.105 -5.296 -11.717 295 HB3 GLU 570 HB3 GLU 570 -11.572 -4.095 -10.558 296 HG2 GLU 570 HG2 GLU 570 -9.213 -4.378 -11.353 297 HG3 GLU 570 HG3 GLU 570 -9.750 -5.574 -12.515 298 HE2 GLU 570 HE GLU 570 -12.083 -3.670 -13.771 299 H ILE 571 H ILE 571 -8.880 -7.562 -9.494 300 HA ILE 571 HA ILE 571 -8.931 -9.062 -11.953 301 HB ILE 571 HB ILE 571 -7.118 -9.182 -9.540 302 HG12 ILE 571 HG11 ILE 571 -7.051 -7.028 -10.737 303 HG13 ILE 571 HG12 ILE 571 -5.544 -7.914 -10.861 304 HG21 ILE 571 HG21 ILE 571 -7.333 -11.294 -10.970 305 HG22 ILE 571 HG22 ILE 571 -6.546 -10.354 -12.260 306 HG23 ILE 571 HG23 ILE 571 -5.701 -10.630 -10.718 307 HD11 ILE 571 HD11 ILE 571 -7.136 -6.921 -12.995 308 HD12 ILE 571 HD12 ILE 571 -5.684 -7.942 -13.120 309 HD13 ILE 571 HD13 ILE 571 -7.297 -8.693 -13.048 310 H SER 572 H SER 572 -8.288 -10.477 -8.723 311 HA SER 572 HA SER 572 -10.657 -11.667 -8.239 312 HB2 SER 572 HB2 SER 572 -9.625 -12.767 -10.622 313 HB3 SER 572 HB3 SER 572 -9.244 -13.964 -9.400 314 HG SER 572 HG SER 572 -11.279 -14.578 -9.730 315 H GLY 573 H GLY 573 -9.926 -11.423 -6.093 316 HA2 GLY 573 HA2 GLY 573 -9.105 -12.460 -4.205 317 HA3 GLY 573 HA3 GLY 573 -8.050 -13.459 -5.184 318 H TYR 574 H TYR 574 -7.955 -10.183 -6.231 319 HA TYR 574 HA TYR 574 -5.401 -9.841 -4.833 320 HB2 TYR 574 HB2 TYR 574 -6.732 -9.011 -7.440 321 HB3 TYR 574 HB3 TYR 574 -5.527 -7.918 -6.789 322 HD1 TYR 574 HD2 TYR 574 -5.750 -11.661 -7.084 323 HD2 TYR 574 HD1 TYR 574 -3.516 -8.109 -7.917 324 HE1 TYR 574 HE2 TYR 574 -3.906 -13.059 -8.136 325 HE2 TYR 574 HE1 TYR 574 -1.679 -9.519 -8.966 326 HH TYR 574 HH TYR 574 -1.557 -12.894 -8.584 327 H ALA 575 H ALA 575 -4.819 -7.631 -4.104 328 HA ALA 575 HA ALA 575 -7.228 -6.162 -3.270 329 HB1 ALA 575 HB1 ALA 575 -6.125 -5.658 -1.215 330 HB2 ALA 575 HB2 ALA 575 -5.861 -7.397 -1.490 331 HB3 ALA 575 HB3 ALA 575 -4.556 -6.234 -1.828 332 H LYS 576 H LYS 576 -7.056 -3.819 -3.219 333 HA LYS 576 HA LYS 576 -4.705 -2.638 -4.384 334 HB2 LYS 576 HB2 LYS 576 -5.587 -1.893 -6.395 335 HB3 LYS 576 HB3 LYS 576 -6.186 -3.536 -6.300 336 HG2 LYS 576 HG2 LYS 576 -8.362 -2.719 -5.417 337 HG3 LYS 576 HG3 LYS 576 -7.767 -1.071 -5.426 338 HD2 LYS 576 HD2 LYS 576 -7.608 -2.624 -8.005 339 HD3 LYS 576 HD3 LYS 576 -9.191 -2.086 -7.479 340 HE2 LYS 576 HE2 LYS 576 -8.380 0.258 -7.338 341 HE3 LYS 576 HE3 LYS 576 -6.762 -0.254 -7.776 342 HZ2 LYS 576 HZ2 LYS 576 -8.494 0.560 -9.589 343 HZ3 LYS 576 HZ3 LYS 576 -7.384 -0.576 -9.949 344 H ILE 577 H ILE 577 -4.394 -0.627 -3.532 345 HA ILE 577 HA ILE 577 -6.741 0.644 -2.315 346 HB ILE 577 HB ILE 577 -5.789 0.867 -0.295 347 HG12 ILE 577 HG11 ILE 577 -3.273 0.911 0.070 348 HG13 ILE 577 HG12 ILE 577 -3.095 0.941 -1.673 349 HG21 ILE 577 HG21 ILE 577 -4.489 -1.128 0.355 350 HG22 ILE 577 HG22 ILE 577 -5.903 -1.525 -0.650 351 HG23 ILE 577 HG23 ILE 577 -4.274 -1.529 -1.366 352 HD11 ILE 577 HD11 ILE 577 -3.672 3.138 -1.800 353 HD12 ILE 577 HD12 ILE 577 -5.079 2.909 -0.734 354 HD13 ILE 577 HD13 ILE 577 -3.464 3.171 -0.033 355 H THR 578 H THR 578 -6.669 2.975 -2.259 356 HA THR 578 HA THR 578 -4.564 4.123 -3.964 357 HB THR 578 HB THR 578 -7.487 4.969 -4.094 358 HG1 THR 578 HG1 THR 578 -5.975 2.945 -5.593 359 HG21 THR 578 HG21 THR 578 -4.972 5.480 -5.601 360 HG22 THR 578 HG22 THR 578 -6.348 5.022 -6.632 361 HG23 THR 578 HG23 THR 578 -6.473 6.435 -5.556 362 H VAL 579 H VAL 579 -3.707 6.046 -3.315 363 HA VAL 579 HA VAL 579 -5.018 7.319 -1.022 364 HB VAL 579 HB VAL 579 -2.086 6.637 -1.320 365 HG11 VAL 579 HG11 VAL 579 -3.549 8.411 0.638 366 HG12 VAL 579 HG12 VAL 579 -2.016 7.616 1.066 367 HG13 VAL 579 HG13 VAL 579 -2.077 8.752 -0.302 368 HG21 VAL 579 HG21 VAL 579 -2.426 4.873 0.020 369 HG22 VAL 579 HG22 VAL 579 -3.464 5.805 1.126 370 HG23 VAL 579 HG23 VAL 579 -4.158 5.074 -0.342 371 H ASP 580 H ASP 580 -5.302 9.482 -1.294 372 HA ASP 580 HA ASP 580 -4.395 10.599 -3.737 373 HB2 ASP 580 HB2 ASP 580 -6.379 11.168 -1.709 374 HB3 ASP 580 HB3 ASP 580 -5.411 12.611 -1.935 375 HD2 ASP 580 HD ASP 580 -6.460 12.706 -5.420 376 H ILE 581 H ILE 581 -2.960 12.504 -3.905 377 HA ILE 581 HA ILE 581 -1.672 13.488 -1.549 378 HB ILE 581 HB ILE 581 0.598 12.826 -2.231 379 HG12 ILE 581 HG11 ILE 581 -0.862 11.107 -4.253 380 HG13 ILE 581 HG12 ILE 581 0.285 12.391 -4.581 381 HG21 ILE 581 HG21 ILE 581 0.550 10.688 -1.219 382 HG22 ILE 581 HG22 ILE 581 -0.796 11.608 -0.505 383 HG23 ILE 581 HG23 ILE 581 -1.120 10.385 -1.757 384 HD11 ILE 581 HD11 ILE 581 0.987 9.890 -2.981 385 HD12 ILE 581 HD12 ILE 581 1.262 10.057 -4.732 386 HD13 ILE 581 HD13 ILE 581 2.113 11.126 -3.592 387 H GLY 582 H GLY 582 -3.103 15.135 -2.830 388 HA2 GLY 582 HA2 GLY 582 -2.147 16.130 -5.303 389 HA3 GLY 582 HA3 GLY 582 -3.241 16.926 -4.189 390 H SER 583 H SER 583 0.230 15.842 -3.980 391 HA SER 583 HA SER 583 1.559 18.056 -4.286 392 HB2 SER 583 HB2 SER 583 -0.073 18.348 -1.821 393 HB3 SER 583 HB3 SER 583 1.622 18.736 -1.604 394 HG SER 583 HG SER 583 0.729 19.846 -3.952 395 H ALA 584 H ALA 584 1.969 15.282 -4.301 396 HA ALA 584 HA ALA 584 4.312 15.109 -2.631 397 HB1 ALA 584 HB1 ALA 584 1.974 14.138 -1.554 398 HB2 ALA 584 HB2 ALA 584 2.617 12.698 -2.378 399 HB3 ALA 584 HB3 ALA 584 3.602 13.538 -1.156 400 H SER 585 H SER 585 5.866 13.699 -3.521 401 HA SER 585 HA SER 585 5.033 12.576 -6.081 402 HB2 SER 585 HB2 SER 585 7.489 12.796 -6.699 403 HB3 SER 585 HB3 SER 585 6.641 14.314 -6.481 404 HG SER 585 HG SER 585 8.751 14.249 -5.417 405 H GLN 586 H GLN 586 5.550 11.717 -2.949 406 HA GLN 586 HA GLN 586 6.256 9.055 -3.724 407 HB2 GLN 586 HB2 GLN 586 8.069 10.789 -2.038 408 HB3 GLN 586 HB3 GLN 586 7.988 9.069 -1.712 409 HG2 GLN 586 HG2 GLN 586 8.447 8.675 -4.206 410 HG3 GLN 586 HG3 GLN 586 8.748 10.395 -4.354 411 HE21 GLN 586 HE12 GLN 586 10.274 7.621 -4.228 412 HE22 GLN 586 HE22 GLN 586 11.722 8.007 -3.360 413 H LEU 587 H LEU 587 5.338 7.510 -2.329 414 HA LEU 587 HA LEU 587 4.195 8.535 0.159 415 HB2 LEU 587 HB2 LEU 587 2.576 8.510 -1.866 416 HB3 LEU 587 HB3 LEU 587 2.584 6.770 -1.658 417 HG LEU 587 HG LEU 587 1.895 8.661 0.597 418 HD11 LEU 587 HD11 LEU 587 0.414 8.356 -1.768 419 HD12 LEU 587 HD12 LEU 587 -0.412 7.355 -0.549 420 HD13 LEU 587 HD13 LEU 587 -0.120 9.082 -0.233 421 HD21 LEU 587 HD21 LEU 587 0.650 6.020 0.543 422 HD22 LEU 587 HD22 LEU 587 2.428 5.948 0.590 423 HD23 LEU 587 HD23 LEU 587 1.540 6.847 1.843 424 H GLU 588 H GLU 588 4.414 7.138 1.868 425 HA GLU 588 HA GLU 588 5.749 4.649 1.205 426 HB2 GLU 588 HB2 GLU 588 6.980 6.035 2.764 427 HB3 GLU 588 HB3 GLU 588 5.567 6.275 3.772 428 HG2 GLU 588 HG2 GLU 588 5.546 3.701 4.098 429 HG3 GLU 588 HG3 GLU 588 7.140 3.697 3.371 430 HE2 GLU 588 HE GLU 588 8.418 5.769 4.567 431 H ALA 589 H ALA 589 5.019 2.612 2.044 432 HA ALA 589 HA ALA 589 2.463 2.641 3.443 433 HB1 ALA 589 HB1 ALA 589 1.494 1.049 1.840 434 HB2 ALA 589 HB2 ALA 589 1.932 2.568 1.022 435 HB3 ALA 589 HB3 ALA 589 2.968 1.131 0.846 436 H ALA 590 H ALA 590 2.147 0.794 4.759 437 HA ALA 590 HA ALA 590 4.356 -1.135 4.730 438 HB1 ALA 590 HB1 ALA 590 3.825 0.870 6.712 439 HB2 ALA 590 HB2 ALA 590 3.452 -0.722 7.416 440 HB3 ALA 590 HB3 ALA 590 5.064 -0.407 6.731 441 H PHE 591 H PHE 591 3.746 -3.182 5.953 442 HA PHE 591 HA PHE 591 0.866 -3.647 5.612 443 HB2 PHE 591 HB2 PHE 591 3.420 -5.233 5.088 444 HB3 PHE 591 HB3 PHE 591 1.945 -6.118 5.422 445 HD1 PHE 591 HD2 PHE 591 -0.093 -4.573 4.017 446 HD2 PHE 591 HD1 PHE 591 3.872 -5.515 2.837 447 HE1 PHE 591 HE2 PHE 591 -0.762 -4.369 1.607 448 HE2 PHE 591 HE1 PHE 591 3.203 -5.310 0.427 449 HZ PHE 591 HZ PHE 591 0.894 -4.740 -0.160 450 H ASN 592 H ASN 592 -0.264 -4.292 7.393 451 HA ASN 592 HA ASN 592 1.227 -5.595 9.498 452 HB2 ASN 592 HB2 ASN 592 0.206 -4.133 11.235 453 HB3 ASN 592 HB3 ASN 592 1.169 -3.178 10.125 454 HD21 ASN 592 HD21 ASN 592 0.150 -1.947 8.497 455 HD22 ASN 592 HD22 ASN 592 -1.488 -1.407 8.649 456 H ASP 593 H ASP 593 -0.069 -7.205 10.515 457 HA ASP 593 HA ASP 593 -2.347 -8.027 9.226 458 HB2 ASP 593 HB2 ASP 593 -2.685 -9.442 11.341 459 HB3 ASP 593 HB3 ASP 593 -1.142 -9.625 10.530 460 HD2 ASP 593 HD ASP 593 -1.062 -10.411 12.971 461 H GLY 594 H GLY 594 -1.905 -6.414 12.467 462 HA2 GLY 594 HA2 GLY 594 -4.105 -4.702 12.227 463 HA3 GLY 594 HA3 GLY 594 -4.642 -6.145 13.064 464 H ASN 595 H ASN 595 -1.355 -4.644 13.151 465 HA ASN 595 HA ASN 595 -0.334 -3.514 14.735 466 HB2 ASN 595 HB2 ASN 595 -2.756 -2.706 15.424 467 HB3 ASN 595 HB3 ASN 595 -2.630 -3.898 16.702 468 HD21 ASN 595 HD21 ASN 595 -1.985 -0.762 15.767 469 HD22 ASN 595 HD22 ASN 595 -0.876 -0.283 17.008 470 H ASN 596 H ASN 596 0.979 -5.540 14.735 471 HA ASN 596 HA ASN 596 1.581 -6.533 17.119 472 HB2 ASN 596 HB2 ASN 596 -0.940 -7.697 16.264 473 HB3 ASN 596 HB3 ASN 596 0.273 -8.963 16.267 474 HD21 ASN 596 HD21 ASN 596 0.460 -10.020 18.076 475 HD22 ASN 596 HD22 ASN 596 0.181 -9.429 19.680 476 H ASN 597 H ASN 597 0.992 -7.089 13.662 477 HA ASN 597 HA ASN 597 3.581 -8.387 13.522 478 HB2 ASN 597 HB2 ASN 597 1.273 -9.866 13.235 479 HB3 ASN 597 HB3 ASN 597 1.502 -9.343 11.578 480 HD21 ASN 597 HD21 ASN 597 1.873 -11.910 13.254 481 HD22 ASN 597 HD22 ASN 597 3.400 -12.545 12.740 482 H TRP 598 H TRP 598 4.738 -6.879 12.300 483 HA TRP 598 HA TRP 598 3.328 -5.669 10.018 484 HB2 TRP 598 HB2 TRP 598 5.575 -4.499 11.670 485 HB3 TRP 598 HB3 TRP 598 4.829 -3.753 10.271 486 HD1 TRP 598 HD TRP 598 3.451 -5.143 13.672 487 HE1 TRP 598 HE1 TRP 598 1.637 -3.503 14.663 488 HE3 TRP 598 HE3 TRP 598 3.637 -1.792 9.853 489 HZ2 TRP 598 HZ2 TRP 598 0.509 -1.042 13.758 490 HZ3 TRP 598 HZ3 TRP 598 2.147 0.203 9.985 491 HH2 TRP 598 HH TRP 598 0.621 0.604 11.852 492 H ASP 599 H ASP 599 4.286 -5.936 8.002 493 HA ASP 599 HA ASP 599 6.734 -7.510 8.045 494 HB2 ASP 599 HB2 ASP 599 4.330 -8.042 6.803 495 HB3 ASP 599 HB3 ASP 599 5.180 -7.222 5.508 496 HD2 ASP 599 HD ASP 599 7.515 -9.783 5.111 497 H SER 600 H SER 600 6.237 -4.441 8.179 498 HA SER 600 HA SER 600 7.011 -3.459 5.649 499 HB2 SER 600 HB2 SER 600 6.901 -1.315 6.642 500 HB3 SER 600 HB3 SER 600 5.704 -2.243 7.525 501 HG SER 600 HG SER 600 6.798 -1.891 9.324 502 H ASN 601 H ASN 601 8.866 -5.309 5.843 503 HA ASN 601 HA ASN 601 10.967 -5.833 6.073 504 HB2 ASN 601 HB2 ASN 601 11.028 -3.818 4.455 505 HB3 ASN 601 HB3 ASN 601 11.533 -2.836 5.816 506 HD21 ASN 601 HD21 ASN 601 13.229 -2.764 3.898 507 HD22 ASN 601 HD22 ASN 601 14.628 -3.757 4.133 508 H ASN 602 H ASN 602 9.482 -5.035 8.576 509 HA ASN 602 HA ASN 602 10.035 -5.091 10.704 510 HB2 ASN 602 HB2 ASN 602 12.485 -5.701 9.749 511 HB3 ASN 602 HB3 ASN 602 12.858 -4.075 10.285 512 HD21 ASN 602 HD21 ASN 602 14.309 -5.109 11.761 513 HD22 ASN 602 HD22 ASN 602 13.746 -5.733 13.275 514 H THR 603 H THR 603 11.840 -2.518 8.859 515 HA THR 603 HA THR 603 10.226 -0.421 9.766 516 HB THR 603 HB THR 603 11.497 -1.140 11.929 517 HG1 THR 603 HG1 THR 603 11.510 1.117 12.399 518 HG21 THR 603 HG21 THR 603 13.763 -1.065 10.412 519 HG22 THR 603 HG22 THR 603 13.704 0.639 10.923 520 HG23 THR 603 HG23 THR 603 13.766 -0.656 12.144 521 H LYS 604 H LYS 604 10.920 -1.131 7.264 522 HA LYS 604 HA LYS 604 12.469 1.168 6.475 523 HB2 LYS 604 HB2 LYS 604 13.762 -1.334 6.700 524 HB3 LYS 604 HB3 LYS 604 13.491 -1.090 4.987 525 HG2 LYS 604 HG2 LYS 604 14.489 1.277 6.549 526 HG3 LYS 604 HG3 LYS 604 15.621 -0.036 6.299 527 HD2 LYS 604 HD2 LYS 604 14.444 0.275 3.771 528 HD3 LYS 604 HD3 LYS 604 14.566 1.922 4.357 529 HE2 LYS 604 HE2 LYS 604 16.900 1.883 4.430 530 HE3 LYS 604 HE3 LYS 604 16.974 0.162 4.749 531 HZ2 LYS 604 HZ2 LYS 604 17.586 0.228 2.541 532 HZ3 LYS 604 HZ3 LYS 604 15.981 0.049 2.327 533 H ASN 605 H ASN 605 9.886 1.210 6.169 534 HA ASN 605 HA ASN 605 8.675 -0.248 4.246 535 HB2 ASN 605 HB2 ASN 605 8.322 2.763 4.697 536 HB3 ASN 605 HB3 ASN 605 7.132 1.692 3.983 537 HD21 ASN 605 HD21 ASN 605 5.555 1.927 5.460 538 HD22 ASN 605 HD22 ASN 605 5.646 1.410 7.110 539 H TYR 606 H TYR 606 7.797 1.250 2.096 540 HA TYR 606 HA TYR 606 10.237 2.216 0.774 541 HB2 TYR 606 HB2 TYR 606 8.029 0.253 -0.072 542 HB3 TYR 606 HB3 TYR 606 9.018 1.052 -1.278 543 HD1 TYR 606 HD1 TYR 606 11.561 0.697 -1.188 544 HD2 TYR 606 HD2 TYR 606 8.789 -1.703 1.016 545 HE1 TYR 606 HE1 TYR 606 13.322 -1.119 -0.937 546 HE2 TYR 606 HE2 TYR 606 10.559 -3.511 1.260 547 HH TYR 606 HH TYR 606 12.863 -4.014 -0.439 548 H LEU 607 H LEU 607 9.926 3.869 -0.801 549 HA LEU 607 HA LEU 607 7.320 5.179 -0.534 550 HB2 LEU 607 HB2 LEU 607 9.987 6.317 -1.385 551 HB3 LEU 607 HB3 LEU 607 8.493 7.213 -1.198 552 HG LEU 607 HG LEU 607 8.775 6.025 1.279 553 HD11 LEU 607 HD11 LEU 607 11.525 6.758 0.244 554 HD12 LEU 607 HD12 LEU 607 11.116 6.561 1.965 555 HD13 LEU 607 HD13 LEU 607 10.975 5.178 0.853 556 HD21 LEU 607 HD21 LEU 607 8.051 8.237 1.159 557 HD22 LEU 607 HD22 LEU 607 9.648 8.360 1.933 558 HD23 LEU 607 HD23 LEU 607 9.463 8.754 0.208 559 H PHE 608 H PHE 608 5.979 5.391 -2.268 560 HA PHE 608 HA PHE 608 7.135 4.743 -4.884 561 HB2 PHE 608 HB2 PHE 608 4.273 4.084 -4.473 562 HB3 PHE 608 HB3 PHE 608 5.542 3.059 -5.111 563 HD1 PHE 608 HD1 PHE 608 3.852 4.169 -2.042 564 HD2 PHE 608 HD2 PHE 608 6.712 1.508 -3.699 565 HE1 PHE 608 HE1 PHE 608 3.851 2.842 0.089 566 HE2 PHE 608 HE2 PHE 608 6.712 0.181 -1.568 567 HZ PHE 608 HZ PHE 608 5.281 0.864 0.300 568 H SER 609 H SER 609 6.515 6.072 -6.576 569 HA SER 609 HA SER 609 5.092 8.419 -5.803 570 HB2 SER 609 HB2 SER 609 5.535 8.491 -8.593 571 HB3 SER 609 HB3 SER 609 6.495 9.271 -7.352 572 HG SER 609 HG SER 609 7.202 7.220 -8.979 573 H THR 610 H THR 610 3.355 9.303 -7.440 574 HA THR 610 HA THR 610 1.146 7.654 -7.380 575 HB THR 610 HB THR 610 0.240 9.389 -9.011 576 HG1 THR 610 HG1 THR 610 1.817 10.491 -10.115 577 HG21 THR 610 HG21 THR 610 0.128 10.186 -6.752 578 HG22 THR 610 HG22 THR 610 1.901 10.266 -6.609 579 HG23 THR 610 HG23 THR 610 1.034 11.456 -7.609 580 H GLY 611 H GLY 611 -0.175 6.901 -9.309 581 HA2 GLY 611 HA2 GLY 611 -0.058 6.136 -11.595 582 HA3 GLY 611 HA3 GLY 611 1.615 5.688 -11.327 583 H THR 612 H THR 612 1.483 3.464 -11.713 584 HA THR 612 HA THR 612 -0.340 1.986 -9.929 585 HB THR 612 HB THR 612 0.826 1.082 -12.608 586 HG1 THR 612 HG1 THR 612 -0.536 2.946 -12.916 587 HG21 THR 612 HG21 THR 612 -1.483 0.175 -10.820 588 HG22 THR 612 HG22 THR 612 -1.356 -0.293 -12.533 589 HG23 THR 612 HG23 THR 612 -0.100 -0.797 -11.377 590 H SER 613 H SER 613 0.477 0.567 -8.491 591 HA SER 613 HA SER 613 3.217 -0.264 -8.893 592 HB2 SER 613 HB2 SER 613 2.246 0.897 -6.246 593 HB3 SER 613 HB3 SER 613 3.860 0.308 -6.593 594 HG SER 613 HG SER 613 4.355 2.217 -7.409 595 H THR 614 H THR 614 3.781 -2.179 -7.493 596 HA THR 614 HA THR 614 1.412 -3.528 -6.405 597 HB THR 614 HB THR 614 3.480 -4.840 -8.240 598 HG1 THR 614 HG1 THR 614 2.194 -3.260 -9.394 599 HG21 THR 614 HG21 THR 614 1.514 -6.465 -8.526 600 HG22 THR 614 HG22 THR 614 2.274 -6.500 -6.916 601 HG23 THR 614 HG23 THR 614 0.733 -5.641 -7.155 602 H TYR 615 H TYR 615 1.726 -4.624 -4.525 603 HA TYR 615 HA TYR 615 4.515 -4.714 -3.585 604 HB2 TYR 615 HB2 TYR 615 2.431 -3.156 -2.647 605 HB3 TYR 615 HB3 TYR 615 2.102 -4.624 -1.749 606 HD1 TYR 615 HD1 TYR 615 5.282 -5.237 -1.717 607 HD2 TYR 615 HD2 TYR 615 2.784 -1.992 -0.478 608 HE1 TYR 615 HE1 TYR 615 7.011 -4.559 0.020 609 HE2 TYR 615 HE2 TYR 615 4.521 -1.326 1.254 610 HH TYR 615 HH TYR 615 6.358 -1.908 2.274 611 H THR 616 H THR 616 5.214 -6.790 -3.502 612 HA THR 616 HA THR 616 3.243 -8.817 -2.668 613 HB THR 616 HB THR 616 5.577 -8.975 -4.645 614 HG1 THR 616 HG1 THR 616 2.662 -9.320 -4.754 615 HG21 THR 616 HG21 THR 616 4.766 -11.278 -5.083 616 HG22 THR 616 HG22 THR 616 5.268 -11.137 -3.381 617 HG23 THR 616 HG23 THR 616 3.539 -11.105 -3.805 618 HA PRO 617 HA PRO 617 6.058 -9.063 0.662 619 HB2 PRO 617 HB2 PRO 617 4.405 -10.425 2.359 620 HB3 PRO 617 HB3 PRO 617 4.427 -8.677 2.240 621 HG2 PRO 617 HG2 PRO 617 2.426 -10.581 1.187 622 HG3 PRO 617 HG3 PRO 617 2.266 -8.856 1.454 623 HD2 PRO 617 HD2 PRO 617 2.652 -10.174 -1.064 624 HD3 PRO 617 HD3 PRO 617 2.609 -8.445 -0.781 625 H GLY 618 H GLY 618 7.076 -10.799 2.030 626 HA2 GLY 618 HA2 GLY 618 7.642 -12.994 0.229 627 HA3 GLY 618 HA3 GLY 618 8.419 -12.628 1.757 628 H SER 619 H SER 619 8.249 -14.934 2.301 629 HA SER 619 HA SER 619 5.695 -16.113 2.465 630 HB2 SER 619 HB2 SER 619 6.856 -18.033 2.910 631 HB3 SER 619 HB3 SER 619 8.234 -17.089 2.379 632 HG SER 619 HG SER 619 9.054 -17.258 4.341 633 H ASN 620 H ASN 620 8.124 -15.096 4.988 634 HA ASN 620 HA ASN 620 6.066 -13.987 6.568 635 HB2 ASN 620 HB2 ASN 620 7.287 -16.671 7.322 636 HB3 ASN 620 HB3 ASN 620 6.777 -15.567 8.584 637 HD21 ASN 620 HD21 ASN 620 5.807 -18.226 7.496 638 HD22 ASN 620 HD22 ASN 620 4.101 -18.034 7.266 639 H GLY 621 H GLY 621 7.061 -12.362 7.820 640 HA2 GLY 621 HA2 GLY 621 8.701 -11.034 8.596 641 HA3 GLY 621 HA3 GLY 621 9.437 -12.509 9.191 642 H ALA 622 H ALA 622 8.909 -12.273 5.720 643 HA ALA 622 HA ALA 622 11.753 -11.608 5.379 644 HB1 ALA 622 HB1 ALA 622 10.058 -13.813 4.203 645 HB2 ALA 622 HB2 ALA 622 11.450 -13.172 3.297 646 HB3 ALA 622 HB3 ALA 622 11.692 -13.899 4.904 647 H ALA 623 H ALA 623 11.712 -9.522 4.647 648 HA ALA 623 HA ALA 623 9.707 -8.173 3.481 649 HB1 ALA 623 HB1 ALA 623 11.296 -6.577 3.106 650 HB2 ALA 623 HB2 ALA 623 12.319 -7.682 4.056 651 HB3 ALA 623 HB3 ALA 623 12.391 -7.709 2.277 652 H GLY 624 H GLY 624 8.990 -7.709 1.324 653 HA2 GLY 624 HA2 GLY 624 9.526 -9.930 -0.542 654 HA3 GLY 624 HA3 GLY 624 8.067 -8.961 -0.476 655 H THR 625 H THR 625 7.993 -7.960 -2.470 656 HA THR 625 HA THR 625 10.038 -5.981 -2.990 657 HB THR 625 HB THR 625 10.257 -6.949 -5.392 658 HG1 THR 625 HG1 THR 625 9.156 -9.150 -3.789 659 HG21 THR 625 HG21 THR 625 11.243 -8.795 -3.159 660 HG22 THR 625 HG22 THR 625 11.959 -8.593 -4.776 661 HG23 THR 625 HG23 THR 625 12.050 -7.268 -3.590 662 H ILE 626 H ILE 626 9.413 -4.561 -4.868 663 HA ILE 626 HA ILE 626 6.481 -4.498 -5.060 664 HB ILE 626 HB ILE 626 7.855 -1.941 -5.379 665 HG12 ILE 626 HG11 ILE 626 7.932 -3.255 -2.648 666 HG13 ILE 626 HG12 ILE 626 9.329 -2.994 -3.673 667 HG21 ILE 626 HG21 ILE 626 5.516 -1.896 -5.268 668 HG22 ILE 626 HG22 ILE 626 5.466 -3.003 -3.874 669 HG23 ILE 626 HG23 ILE 626 6.050 -1.334 -3.665 670 HD11 ILE 626 HD11 ILE 626 7.840 -0.511 -3.469 671 HD12 ILE 626 HD12 ILE 626 8.153 -1.156 -1.839 672 HD13 ILE 626 HD13 ILE 626 9.509 -0.857 -2.953 673 H ARG 627 H ARG 627 5.593 -4.264 -7.094 674 HA ARG 627 HA ARG 627 7.551 -3.957 -9.227 675 HB2 ARG 627 HB2 ARG 627 6.299 -6.299 -8.785 676 HB3 ARG 627 HB3 ARG 627 4.999 -5.522 -9.667 677 HG2 ARG 627 HG2 ARG 627 6.057 -6.119 -11.584 678 HG3 ARG 627 HG3 ARG 627 7.283 -4.927 -11.202 679 HD2 ARG 627 HD1 ARG 627 7.967 -7.144 -9.591 680 HD3 ARG 627 HD2 ARG 627 7.452 -7.864 -11.104 681 HE ARG 627 HE ARG 627 9.159 -5.653 -11.711 682 HH11 ARG 627 HH22 ARG 627 9.355 -8.887 -10.276 683 HH12 ARG 627 HH21 ARG 627 11.009 -9.125 -10.734 684 HH22 ARG 627 HH1 ARG 627 12.156 -7.395 -11.932 685 H THR 628 H THR 628 7.138 -2.185 -10.518 686 HA THR 628 HA THR 628 4.699 -0.719 -10.124 687 HB THR 628 HB THR 628 6.432 0.161 -12.322 688 HG1 THR 628 HG1 THR 628 8.330 -0.421 -11.348 689 HG21 THR 628 HG21 THR 628 5.670 2.062 -11.275 690 HG22 THR 628 HG22 THR 628 5.305 1.179 -9.773 691 HG23 THR 628 HG23 THR 628 6.959 1.754 -10.087 692 H GLY 629 H GLY 629 3.142 -0.154 -11.726 693 HA2 GLY 629 HA2 GLY 629 2.190 -0.398 -13.855 694 HA3 GLY 629 HA3 GLY 629 3.130 -1.853 -14.123 695 H ALA 630 H ALA 630 0.121 -1.261 -14.217 696 HA ALA 630 HA ALA 630 -1.147 -2.461 -12.052 697 HB1 ALA 630 HB1 ALA 630 -3.042 -2.184 -13.322 698 HB2 ALA 630 HB2 ALA 630 -1.949 -1.130 -14.250 699 HB3 ALA 630 HB3 ALA 630 -2.268 -2.791 -14.806 700 HA PRO 631 HA PRO 631 0.204 -6.561 -12.784 701 HB2 PRO 631 HB2 PRO 631 -0.780 -7.654 -10.481 702 HB3 PRO 631 HB3 PRO 631 0.786 -6.873 -10.578 703 HG2 PRO 631 HG2 PRO 631 -1.719 -5.859 -9.381 704 HG3 PRO 631 HG3 PRO 631 -0.077 -5.305 -9.124 705 HD2 PRO 631 HD2 PRO 631 -2.083 -4.037 -10.734 706 HD3 PRO 631 HD3 PRO 631 -0.409 -3.548 -10.569 707 H SER 632 H SER 632 -0.755 -8.843 -12.809 708 HA SER 632 HA SER 632 -2.214 -10.120 -13.795 709 HB2 SER 632 HB2 SER 632 -4.001 -8.443 -12.014 710 HB3 SER 632 HB3 SER 632 -4.702 -9.680 -13.038 711 HG SER 632 HG SER 632 -3.623 -11.287 -11.932 712 H GLY 633 H GLY 633 -1.519 -7.392 -15.048 713 HA2 GLY 633 HA2 GLY 633 -3.405 -7.584 -17.235 714 HA3 GLY 633 HA3 GLY 633 -3.491 -6.087 -16.328 Start of MODEL 15 1 H1 GLY 530 H GLY 530 -1.168 21.704 -8.005 2 HA2 GLY 530 HA2 GLY 530 -0.966 24.400 -6.812 3 HA3 GLY 530 HA3 GLY 530 -1.422 24.172 -8.489 4 H GLY 531 H GLY 531 -3.427 22.968 -9.001 5 HA2 GLY 531 HA2 GLY 531 -5.303 22.856 -6.719 6 HA3 GLY 531 HA3 GLY 531 -5.723 23.638 -8.230 7 H THR 532 H THR 532 -4.285 20.492 -7.089 8 HA THR 532 HA THR 532 -6.353 18.991 -8.337 9 HB THR 532 HB THR 532 -3.646 19.304 -9.704 10 HG1 THR 532 HG1 THR 532 -5.172 20.425 -10.869 11 HG21 THR 532 HG21 THR 532 -4.399 17.397 -11.181 12 HG22 THR 532 HG22 THR 532 -4.006 16.860 -9.530 13 HG23 THR 532 HG23 THR 532 -5.705 17.057 -10.021 14 H THR 533 H THR 533 -6.123 16.667 -7.953 15 HA THR 533 HA THR 533 -4.103 16.090 -5.894 16 HB THR 533 HB THR 533 -6.349 16.622 -4.873 17 HG1 THR 533 HG1 THR 533 -5.563 15.020 -3.566 18 HG21 THR 533 HG21 THR 533 -7.214 14.686 -6.959 19 HG22 THR 533 HG22 THR 533 -7.801 14.287 -5.326 20 HG23 THR 533 HG23 THR 533 -8.183 15.869 -6.048 21 H ASN 534 H ASN 534 -3.265 13.995 -5.855 22 HA ASN 534 HA ASN 534 -3.932 12.518 -8.274 23 HB2 ASN 534 HB2 ASN 534 -1.423 13.314 -7.096 24 HB3 ASN 534 HB3 ASN 534 -1.508 11.568 -6.972 25 HD21 ASN 534 HD21 ASN 534 -0.104 13.694 -8.724 26 HD22 ASN 534 HD22 ASN 534 -0.249 13.085 -10.339 27 H LYS 535 H LYS 535 -3.161 9.984 -7.803 28 HA LYS 535 HA LYS 535 -3.921 9.194 -5.117 29 HB2 LYS 535 HB2 LYS 535 -5.449 8.254 -7.563 30 HB3 LYS 535 HB3 LYS 535 -5.629 7.617 -5.941 31 HG2 LYS 535 HG2 LYS 535 -6.172 10.019 -5.183 32 HG3 LYS 535 HG3 LYS 535 -6.245 10.453 -6.879 33 HD2 LYS 535 HD2 LYS 535 -7.811 8.026 -6.337 34 HD3 LYS 535 HD3 LYS 535 -8.336 9.357 -5.326 35 HE2 LYS 535 HE2 LYS 535 -9.168 10.559 -7.104 36 HE3 LYS 535 HE3 LYS 535 -7.839 10.120 -8.159 37 HZ2 LYS 535 HZ2 LYS 535 -9.077 7.764 -7.925 38 HZ3 LYS 535 HZ3 LYS 535 -10.367 8.743 -7.760 39 H VAL 536 H VAL 536 -3.090 7.139 -4.527 40 HA VAL 536 HA VAL 536 -1.236 6.041 -6.527 41 HB VAL 536 HB VAL 536 -0.112 5.212 -4.301 42 HG11 VAL 536 HG11 VAL 536 1.212 6.504 -5.701 43 HG12 VAL 536 HG12 VAL 536 0.093 7.888 -5.661 44 HG13 VAL 536 HG13 VAL 536 1.112 7.527 -4.247 45 HG21 VAL 536 HG21 VAL 536 -2.116 6.369 -3.036 46 HG22 VAL 536 HG22 VAL 536 -0.466 6.425 -2.369 47 HG23 VAL 536 HG23 VAL 536 -1.123 7.832 -3.239 48 H THR 537 H THR 537 -1.981 4.155 -7.338 49 HA THR 537 HA THR 537 -3.693 2.522 -5.600 50 HB THR 537 HB THR 537 -3.291 2.726 -8.625 51 HG1 THR 537 HG1 THR 537 -5.459 3.092 -6.677 52 HG21 THR 537 HG21 THR 537 -4.008 0.376 -7.277 53 HG22 THR 537 HG22 THR 537 -5.578 1.154 -7.588 54 HG23 THR 537 HG23 THR 537 -4.483 0.787 -8.942 55 H VAL 538 H VAL 538 -2.939 0.735 -4.660 56 HA VAL 538 HA VAL 538 -0.589 -0.509 -5.907 57 HB VAL 538 HB VAL 538 -1.001 -0.501 -2.941 58 HG11 VAL 538 HG11 VAL 538 0.686 -1.991 -3.927 59 HG12 VAL 538 HG12 VAL 538 1.477 -0.594 -4.695 60 HG13 VAL 538 HG13 VAL 538 1.442 -0.732 -2.921 61 HG21 VAL 538 HG21 VAL 538 0.296 1.533 -2.687 62 HG22 VAL 538 HG22 VAL 538 0.441 1.703 -4.453 63 HG23 VAL 538 HG23 VAL 538 -1.149 1.872 -3.670 64 H TYR 539 H TYR 539 -0.828 -2.655 -6.336 65 HA TYR 539 HA TYR 539 -3.261 -3.910 -5.289 66 HB2 TYR 539 HB2 TYR 539 -1.483 -4.006 -7.734 67 HB3 TYR 539 HB3 TYR 539 -2.158 -5.549 -7.250 68 HD1 TYR 539 HD2 TYR 539 -3.472 -2.031 -7.490 69 HD2 TYR 539 HD1 TYR 539 -4.011 -6.155 -8.492 70 HE1 TYR 539 HE2 TYR 539 -5.641 -1.464 -8.689 71 HE2 TYR 539 HE1 TYR 539 -6.179 -5.574 -9.687 72 HH TYR 539 HH TYR 539 -7.885 -3.073 -9.206 73 H TYR 540 H TYR 540 -3.165 -5.618 -3.895 74 HA TYR 540 HA TYR 540 -0.494 -6.771 -3.445 75 HB2 TYR 540 HB2 TYR 540 -1.186 -5.525 -1.479 76 HB3 TYR 540 HB3 TYR 540 -2.871 -5.950 -1.706 77 HD1 TYR 540 HD2 TYR 540 0.127 -8.191 -1.605 78 HD2 TYR 540 HD1 TYR 540 -3.506 -6.976 0.301 79 HE1 TYR 540 HE2 TYR 540 0.371 -10.079 0.080 80 HE2 TYR 540 HE1 TYR 540 -3.249 -8.868 1.980 81 HH TYR 540 HH TYR 540 -2.147 -10.670 2.502 82 H LYS 541 H LYS 541 -0.302 -9.010 -3.345 83 HA LYS 541 HA LYS 541 -2.636 -10.451 -4.303 84 HB2 LYS 541 HB2 LYS 541 -0.315 -10.590 -5.361 85 HB3 LYS 541 HB3 LYS 541 0.176 -11.506 -3.951 86 HG2 LYS 541 HG2 LYS 541 -1.299 -13.304 -4.436 87 HG3 LYS 541 HG3 LYS 541 -2.322 -12.319 -5.463 88 HD2 LYS 541 HD2 LYS 541 -1.154 -13.037 -7.266 89 HD3 LYS 541 HD3 LYS 541 0.263 -12.209 -6.651 90 HE2 LYS 541 HE2 LYS 541 1.262 -14.162 -6.028 91 HE3 LYS 541 HE3 LYS 541 -0.185 -14.739 -5.225 92 HZ2 LYS 541 HZ2 LYS 541 0.609 -15.118 -8.025 93 HZ3 LYS 541 HZ3 LYS 541 -0.020 -16.204 -6.988 94 H LYS 542 H LYS 542 -3.929 -11.624 -2.992 95 HA LYS 542 HA LYS 542 -3.216 -11.805 -0.214 96 HB2 LYS 542 HB2 LYS 542 -5.444 -11.293 -0.428 97 HB3 LYS 542 HB3 LYS 542 -5.657 -12.260 -1.873 98 HG2 LYS 542 HG2 LYS 542 -6.154 -14.158 -0.687 99 HG3 LYS 542 HG3 LYS 542 -4.893 -13.869 0.496 100 HD2 LYS 542 HD2 LYS 542 -7.306 -13.752 1.373 101 HD3 LYS 542 HD3 LYS 542 -6.272 -12.400 1.790 102 HE2 LYS 542 HE2 LYS 542 -7.320 -10.942 0.244 103 HE3 LYS 542 HE3 LYS 542 -7.929 -12.256 -0.742 104 HZ2 LYS 542 HZ2 LYS 542 -9.481 -11.003 0.966 105 HZ3 LYS 542 HZ3 LYS 542 -9.690 -12.593 0.681 106 H GLY 543 H GLY 543 -2.284 -15.109 0.263 107 HA2 GLY 543 HA2 GLY 543 -1.776 -12.702 1.273 108 HA3 GLY 543 HA3 GLY 543 -3.528 -12.665 1.239 109 H PHE 544 H PHE 544 -4.311 -13.063 3.263 110 HA PHE 544 HA PHE 544 -3.434 -15.508 4.557 111 HB2 PHE 544 HB2 PHE 544 -2.993 -12.653 5.422 112 HB3 PHE 544 HB3 PHE 544 -3.596 -13.715 6.679 113 HD1 PHE 544 HD1 PHE 544 -0.875 -13.427 4.158 114 HD2 PHE 544 HD2 PHE 544 -2.119 -15.073 7.866 115 HE1 PHE 544 HE1 PHE 544 1.456 -14.264 4.568 116 HE2 PHE 544 HE2 PHE 544 0.211 -15.910 8.276 117 HZ PHE 544 HZ PHE 544 1.971 -15.496 6.623 118 H ASN 545 H ASN 545 -5.148 -12.747 6.064 119 HA ASN 545 HA ASN 545 -7.652 -14.129 5.612 120 HB2 ASN 545 HB2 ASN 545 -6.532 -13.305 8.339 121 HB3 ASN 545 HB3 ASN 545 -8.224 -13.683 8.088 122 HD21 ASN 545 HD21 ASN 545 -4.936 -14.918 7.901 123 HD22 ASN 545 HD22 ASN 545 -5.304 -16.603 8.052 124 H SER 546 H SER 546 -6.185 -11.586 4.713 125 HA SER 546 HA SER 546 -6.999 -9.636 4.053 126 HB2 SER 546 HB2 SER 546 -9.332 -10.550 4.867 127 HB3 SER 546 HB3 SER 546 -9.062 -9.535 6.270 128 HG SER 546 HG SER 546 -9.770 -8.821 3.673 129 HA PRO 547 HA PRO 547 -4.606 -8.175 7.634 130 HB2 PRO 547 HB2 PRO 547 -2.295 -7.566 6.310 131 HB3 PRO 547 HB3 PRO 547 -2.564 -9.101 7.111 132 HG2 PRO 547 HG2 PRO 547 -2.602 -8.488 4.219 133 HG3 PRO 547 HG3 PRO 547 -2.445 -10.044 5.010 134 HD2 PRO 547 HD2 PRO 547 -4.795 -8.991 3.747 135 HD3 PRO 547 HD3 PRO 547 -4.668 -10.495 4.637 136 H TYR 548 H TYR 548 -3.883 -6.049 8.292 137 HA TYR 548 HA TYR 548 -5.261 -4.092 6.626 138 HB2 TYR 548 HB2 TYR 548 -4.419 -4.551 9.478 139 HB3 TYR 548 HB3 TYR 548 -4.264 -2.884 8.961 140 HD1 TYR 548 HD1 TYR 548 -6.240 -1.543 8.413 141 HD2 TYR 548 HD2 TYR 548 -6.618 -5.613 9.677 142 HE1 TYR 548 HE1 TYR 548 -8.721 -1.188 8.839 143 HE2 TYR 548 HE2 TYR 548 -9.098 -5.244 10.098 144 HH TYR 548 HH TYR 548 -10.464 -2.174 10.241 145 H ILE 549 H ILE 549 -4.266 -2.205 5.818 146 HA ILE 549 HA ILE 549 -1.331 -2.277 5.936 147 HB ILE 549 HB ILE 549 -1.609 -2.722 3.754 148 HG12 ILE 549 HG11 ILE 549 -2.185 0.248 3.591 149 HG13 ILE 549 HG12 ILE 549 -0.612 -0.413 3.992 150 HG21 ILE 549 HG21 ILE 549 -3.573 -2.069 2.391 151 HG22 ILE 549 HG22 ILE 549 -4.002 -3.036 3.823 152 HG23 ILE 549 HG23 ILE 549 -4.271 -1.276 3.823 153 HD11 ILE 549 HD11 ILE 549 -2.134 -0.586 1.386 154 HD12 ILE 549 HD12 ILE 549 -0.433 -0.144 1.669 155 HD13 ILE 549 HD13 ILE 549 -0.941 -1.845 1.788 156 H HIS 550 H HIS 550 -0.230 -0.318 6.285 157 HA HIS 550 HA HIS 550 -1.971 1.968 6.833 158 HB2 HIS 550 HB2 HIS 550 -1.255 0.702 8.917 159 HB3 HIS 550 HB3 HIS 550 0.390 1.189 8.558 160 HD1 HIS 550 HD1 HIS 550 -1.875 3.885 7.611 161 HD2 HIS 550 HE2 HIS 550 -0.063 2.579 11.161 162 HE1 HIS 550 HE1 HIS 550 -2.010 5.841 9.243 163 H TYR 551 H TYR 551 -1.424 3.626 5.518 164 HA TYR 551 HA TYR 551 1.425 3.904 4.847 165 HB2 TYR 551 HB2 TYR 551 0.129 4.896 2.654 166 HB3 TYR 551 HB3 TYR 551 0.531 3.194 2.773 167 HD1 TYR 551 HD1 TYR 551 -2.226 5.565 3.704 168 HD2 TYR 551 HD2 TYR 551 -1.152 1.621 2.441 169 HE1 TYR 551 HE1 TYR 551 -4.685 4.961 3.473 170 HE2 TYR 551 HE2 TYR 551 -3.614 1.030 2.214 171 HH TYR 551 HH TYR 551 -5.699 2.110 1.887 172 H ARG 552 H ARG 552 2.006 6.153 4.142 173 HA ARG 552 HA ARG 552 0.113 8.121 5.080 174 HB2 ARG 552 HB2 ARG 552 1.333 8.728 6.906 175 HB3 ARG 552 HB3 ARG 552 2.318 7.301 6.651 176 HG2 ARG 552 HG2 ARG 552 3.783 8.630 5.082 177 HG3 ARG 552 HG3 ARG 552 2.825 10.056 5.429 178 HD2 ARG 552 HD2 ARG 552 4.186 10.450 7.206 179 HD3 ARG 552 HD3 ARG 552 3.493 9.040 7.982 180 HE ARG 552 HE ARG 552 5.392 7.926 6.323 181 HH11 ARG 552 HH22 ARG 552 5.532 10.519 8.734 182 HH12 ARG 552 HH21 ARG 552 7.192 10.226 9.135 183 HH22 ARG 552 HH1 ARG 552 8.376 8.468 8.016 184 HA PRO 553 HA PRO 553 1.765 10.298 1.681 185 HB2 PRO 553 HB2 PRO 553 1.148 12.888 2.297 186 HB3 PRO 553 HB3 PRO 553 -0.015 11.757 1.634 187 HG2 PRO 553 HG2 PRO 553 0.234 12.746 4.409 188 HG3 PRO 553 HG3 PRO 553 -1.137 11.973 3.638 189 HD2 PRO 553 HD2 PRO 553 0.699 10.768 5.483 190 HD3 PRO 553 HD3 PRO 553 -0.601 9.966 4.624 191 H ALA 554 H ALA 554 3.682 10.947 0.863 192 HA ALA 554 HA ALA 554 5.969 10.901 1.672 193 HB1 ALA 554 HB1 ALA 554 4.783 13.581 0.873 194 HB2 ALA 554 HB2 ALA 554 6.536 13.310 1.028 195 HB3 ALA 554 HB3 ALA 554 5.594 12.383 -0.164 196 H GLY 555 H GLY 555 5.861 10.317 3.965 197 HA2 GLY 555 HA2 GLY 555 5.845 10.759 6.206 198 HA3 GLY 555 HA3 GLY 555 7.154 11.816 5.715 199 H GLY 556 H GLY 556 3.532 11.739 5.962 200 HA2 GLY 556 HA2 GLY 556 3.653 14.576 6.798 201 HA3 GLY 556 HA3 GLY 556 2.414 13.947 5.730 202 H SER 557 H SER 557 0.698 12.654 6.553 203 HA SER 557 HA SER 557 0.648 12.588 9.468 204 HB2 SER 557 HB2 SER 557 -1.991 12.291 8.353 205 HB3 SER 557 HB3 SER 557 -1.376 13.579 9.369 206 HG SER 557 HG SER 557 -0.381 14.413 7.249 207 H TRP 558 H TRP 558 0.056 10.631 10.502 208 HA TRP 558 HA TRP 558 0.043 8.314 8.725 209 HB2 TRP 558 HB2 TRP 558 0.816 8.802 11.568 210 HB3 TRP 558 HB3 TRP 558 0.269 7.201 11.113 211 HD1 TRP 558 HD TRP 558 3.345 9.323 11.058 212 HE1 TRP 558 HE1 TRP 558 5.354 8.194 9.772 213 HE3 TRP 558 HE3 TRP 558 0.580 5.642 8.901 214 HZ2 TRP 558 HZ2 TRP 558 5.556 5.938 8.036 215 HZ3 TRP 558 HZ3 TRP 558 1.760 4.017 7.424 216 HH2 TRP 558 HH TRP 558 4.161 4.122 6.979 217 H THR 559 H THR 559 -2.044 7.924 8.030 218 HA THR 559 HA THR 559 -4.376 8.681 9.181 219 HB THR 559 HB THR 559 -3.839 6.022 7.758 220 HG1 THR 559 HG1 THR 559 -4.176 8.824 6.963 221 HG21 THR 559 HG21 THR 559 -6.248 7.840 8.129 222 HG22 THR 559 HG22 THR 559 -6.082 6.879 6.640 223 HG23 THR 559 HG23 THR 559 -6.171 6.064 8.220 224 H ALA 560 H ALA 560 -6.116 7.233 10.196 225 HA ALA 560 HA ALA 560 -5.223 6.543 12.753 226 HB1 ALA 560 HB1 ALA 560 -7.457 7.207 12.612 227 HB2 ALA 560 HB2 ALA 560 -7.769 6.215 11.168 228 HB3 ALA 560 HB3 ALA 560 -7.611 5.441 12.763 229 H ALA 561 H ALA 561 -3.821 4.893 13.147 230 HA ALA 561 HA ALA 561 -3.658 2.635 11.444 231 HB1 ALA 561 HB1 ALA 561 -2.419 3.564 14.023 232 HB2 ALA 561 HB2 ALA 561 -2.241 1.857 13.550 233 HB3 ALA 561 HB3 ALA 561 -1.645 3.144 12.476 234 HA PRO 562 HA PRO 562 -3.436 0.819 11.227 235 HB2 PRO 562 HB2 PRO 562 -4.821 -1.119 9.887 236 HB3 PRO 562 HB3 PRO 562 -3.688 -1.469 11.176 237 HG2 PRO 562 HG2 PRO 562 -6.643 -1.525 11.240 238 HG3 PRO 562 HG3 PRO 562 -5.507 -2.264 12.351 239 HD2 PRO 562 HD2 PRO 562 -7.026 0.128 12.790 240 HD3 PRO 562 HD3 PRO 562 -5.806 -0.548 13.850 241 H GLY 563 H GLY 563 -3.142 1.619 9.163 242 HA2 GLY 563 HA2 GLY 563 -4.568 3.716 8.332 243 HA3 GLY 563 HA3 GLY 563 -3.796 2.601 7.221 244 H VAL 564 H VAL 564 -5.036 1.144 5.991 245 HA VAL 564 HA VAL 564 -7.899 1.068 6.577 246 HB VAL 564 HB VAL 564 -6.986 1.391 3.749 247 HG11 VAL 564 HG11 VAL 564 -9.252 2.644 3.734 248 HG12 VAL 564 HG12 VAL 564 -9.263 0.872 3.897 249 HG13 VAL 564 HG13 VAL 564 -9.506 1.899 5.330 250 HG21 VAL 564 HG21 VAL 564 -5.866 3.248 4.797 251 HG22 VAL 564 HG22 VAL 564 -7.314 3.867 3.965 252 HG23 VAL 564 HG23 VAL 564 -7.322 3.663 5.733 253 H LYS 565 H LYS 565 -8.988 -0.787 5.502 254 HA LYS 565 HA LYS 565 -7.171 -3.039 5.467 255 HB2 LYS 565 HB2 LYS 565 -9.180 -3.208 6.812 256 HB3 LYS 565 HB3 LYS 565 -10.195 -2.834 5.433 257 HG2 LYS 565 HG2 LYS 565 -8.300 -5.135 5.092 258 HG3 LYS 565 HG3 LYS 565 -9.619 -5.383 6.219 259 HD2 LYS 565 HD2 LYS 565 -10.392 -4.118 3.624 260 HD3 LYS 565 HD3 LYS 565 -9.819 -5.770 3.503 261 HE2 LYS 565 HE2 LYS 565 -11.476 -6.149 5.582 262 HE3 LYS 565 HE3 LYS 565 -12.245 -4.705 4.954 263 HZ2 LYS 565 HZ2 LYS 565 -12.909 -5.802 3.070 264 HZ3 LYS 565 HZ3 LYS 565 -11.608 -6.779 3.000 265 H MET 566 H MET 566 -6.296 -3.843 3.640 266 HA MET 566 HA MET 566 -6.337 -2.828 1.253 267 HB2 MET 566 HB2 MET 566 -6.254 -5.682 2.234 268 HB3 MET 566 HB3 MET 566 -6.370 -5.462 0.499 269 HG2 MET 566 HG2 MET 566 -4.301 -3.905 2.086 270 HG3 MET 566 HG3 MET 566 -3.985 -5.567 1.631 271 HE1 MET 566 HE1 MET 566 -1.736 -4.209 -0.083 272 HE2 MET 566 HE2 MET 566 -2.313 -2.622 -0.646 273 HE3 MET 566 HE3 MET 566 -2.469 -3.069 1.070 274 H GLN 567 H GLN 567 -7.818 -2.225 -0.264 275 HA GLN 567 HA GLN 567 -10.458 -3.335 -0.035 276 HB2 GLN 567 HB2 GLN 567 -9.324 -0.832 -0.872 277 HB3 GLN 567 HB3 GLN 567 -10.207 -1.485 -2.238 278 HG2 GLN 567 HG2 GLN 567 -12.256 -1.305 -1.186 279 HG3 GLN 567 HG3 GLN 567 -11.608 -1.720 0.389 280 HE21 GLN 567 HE12 GLN 567 -13.334 0.504 -0.729 281 HE22 GLN 567 HE22 GLN 567 -12.641 1.973 -0.126 282 H ASP 568 H ASP 568 -11.078 -5.104 -1.191 283 HA ASP 568 HA ASP 568 -9.579 -6.519 -2.841 284 HB2 ASP 568 HB2 ASP 568 -12.358 -6.360 -2.188 285 HB3 ASP 568 HB3 ASP 568 -12.284 -6.478 -3.934 286 HD2 ASP 568 HD ASP 568 -10.047 -8.871 -1.976 287 H ALA 569 H ALA 569 -9.255 -6.661 -5.184 288 HA ALA 569 HA ALA 569 -9.513 -4.092 -6.502 289 HB1 ALA 569 HB1 ALA 569 -7.775 -4.812 -7.834 290 HB2 ALA 569 HB2 ALA 569 -7.476 -5.829 -6.404 291 HB3 ALA 569 HB3 ALA 569 -8.319 -6.507 -7.817 292 H GLU 570 H GLU 570 -9.505 -5.584 -9.180 293 HA GLU 570 HA GLU 570 -12.324 -6.332 -9.148 294 HB2 GLU 570 HB2 GLU 570 -12.602 -5.211 -11.335 295 HB3 GLU 570 HB3 GLU 570 -12.094 -4.072 -10.104 296 HG2 GLU 570 HG2 GLU 570 -9.773 -4.151 -10.897 297 HG3 GLU 570 HG3 GLU 570 -10.148 -5.451 -12.010 298 HE2 GLU 570 HE GLU 570 -11.099 -3.307 -14.469 299 H ILE 571 H ILE 571 -9.359 -7.578 -9.325 300 HA ILE 571 HA ILE 571 -9.526 -8.975 -11.828 301 HB ILE 571 HB ILE 571 -7.655 -9.226 -9.471 302 HG12 ILE 571 HG11 ILE 571 -7.735 -7.055 -10.865 303 HG13 ILE 571 HG12 ILE 571 -6.183 -7.813 -10.573 304 HG21 ILE 571 HG21 ILE 571 -6.199 -10.468 -11.072 305 HG22 ILE 571 HG22 ILE 571 -7.687 -11.332 -10.615 306 HG23 ILE 571 HG23 ILE 571 -7.573 -10.533 -12.202 307 HD11 ILE 571 HD11 ILE 571 -6.451 -7.131 -12.957 308 HD12 ILE 571 HD12 ILE 571 -6.247 -8.892 -12.797 309 HD13 ILE 571 HD13 ILE 571 -7.862 -8.206 -13.094 310 H SER 572 H SER 572 -8.891 -10.509 -8.640 311 HA SER 572 HA SER 572 -11.259 -11.689 -8.185 312 HB2 SER 572 HB2 SER 572 -10.145 -12.769 -10.599 313 HB3 SER 572 HB3 SER 572 -10.026 -14.019 -9.377 314 HG SER 572 HG SER 572 -12.373 -12.691 -10.374 315 H GLY 573 H GLY 573 -10.475 -11.528 -6.045 316 HA2 GLY 573 HA2 GLY 573 -9.653 -12.664 -4.212 317 HA3 GLY 573 HA3 GLY 573 -8.633 -13.642 -5.247 318 H TYR 574 H TYR 574 -8.478 -10.340 -6.180 319 HA TYR 574 HA TYR 574 -5.908 -10.094 -4.789 320 HB2 TYR 574 HB2 TYR 574 -6.900 -9.740 -7.464 321 HB3 TYR 574 HB3 TYR 574 -6.650 -8.112 -6.864 322 HD1 TYR 574 HD2 TYR 574 -4.337 -7.488 -5.961 323 HD2 TYR 574 HD1 TYR 574 -5.076 -11.064 -8.191 324 HE1 TYR 574 HE2 TYR 574 -1.856 -7.686 -6.480 325 HE2 TYR 574 HE1 TYR 574 -2.592 -11.250 -8.702 326 HH TYR 574 HH TYR 574 -0.512 -10.529 -7.796 327 H ALA 575 H ALA 575 -5.279 -7.942 -3.969 328 HA ALA 575 HA ALA 575 -7.647 -6.403 -3.143 329 HB1 ALA 575 HB1 ALA 575 -5.784 -7.805 -1.561 330 HB2 ALA 575 HB2 ALA 575 -5.323 -6.092 -1.418 331 HB3 ALA 575 HB3 ALA 575 -6.976 -6.606 -1.006 332 H LYS 576 H LYS 576 -7.291 -4.064 -2.884 333 HA LYS 576 HA LYS 576 -4.857 -2.988 -3.973 334 HB2 LYS 576 HB2 LYS 576 -5.701 -2.007 -5.919 335 HB3 LYS 576 HB3 LYS 576 -6.325 -3.644 -5.963 336 HG2 LYS 576 HG2 LYS 576 -8.512 -2.913 -5.151 337 HG3 LYS 576 HG3 LYS 576 -7.910 -1.301 -4.818 338 HD2 LYS 576 HD2 LYS 576 -7.325 -1.926 -7.582 339 HD3 LYS 576 HD3 LYS 576 -9.007 -2.318 -7.279 340 HE2 LYS 576 HE2 LYS 576 -7.710 0.352 -6.550 341 HE3 LYS 576 HE3 LYS 576 -8.639 0.076 -8.010 342 HZ2 LYS 576 HZ2 LYS 576 -10.207 0.895 -6.505 343 HZ3 LYS 576 HZ3 LYS 576 -10.462 -0.707 -6.372 344 H ILE 577 H ILE 577 -4.590 -0.761 -3.442 345 HA ILE 577 HA ILE 577 -6.774 0.392 -1.875 346 HB ILE 577 HB ILE 577 -5.655 0.494 0.035 347 HG12 ILE 577 HG11 ILE 577 -4.146 2.220 -0.700 348 HG13 ILE 577 HG12 ILE 577 -3.256 1.050 0.254 349 HG21 ILE 577 HG21 ILE 577 -3.976 -1.579 -1.396 350 HG22 ILE 577 HG22 ILE 577 -3.919 -1.280 0.358 351 HG23 ILE 577 HG23 ILE 577 -5.427 -1.845 -0.400 352 HD11 ILE 577 HD11 ILE 577 -3.228 0.219 -2.529 353 HD12 ILE 577 HD12 ILE 577 -2.688 1.910 -2.400 354 HD13 ILE 577 HD13 ILE 577 -1.856 0.637 -1.475 355 H THR 578 H THR 578 -6.826 2.702 -1.885 356 HA THR 578 HA THR 578 -4.931 3.929 -3.773 357 HB THR 578 HB THR 578 -7.886 4.652 -3.626 358 HG1 THR 578 HG1 THR 578 -8.167 2.645 -4.514 359 HG21 THR 578 HG21 THR 578 -7.265 4.937 -6.190 360 HG22 THR 578 HG22 THR 578 -6.772 6.202 -5.039 361 HG23 THR 578 HG23 THR 578 -5.591 4.990 -5.588 362 H VAL 579 H VAL 579 -3.975 5.766 -3.105 363 HA VAL 579 HA VAL 579 -5.189 7.097 -0.791 364 HB VAL 579 HB VAL 579 -2.218 6.762 -1.104 365 HG11 VAL 579 HG11 VAL 579 -2.634 6.889 1.532 366 HG12 VAL 579 HG12 VAL 579 -2.506 8.347 0.519 367 HG13 VAL 579 HG13 VAL 579 -4.107 7.732 0.996 368 HG21 VAL 579 HG21 VAL 579 -4.088 4.876 0.370 369 HG22 VAL 579 HG22 VAL 579 -3.143 4.495 -1.089 370 HG23 VAL 579 HG23 VAL 579 -2.310 4.848 0.444 371 H ASP 580 H ASP 580 -5.420 9.272 -1.055 372 HA ASP 580 HA ASP 580 -4.626 10.344 -3.554 373 HB2 ASP 580 HB2 ASP 580 -5.515 12.520 -2.220 374 HB3 ASP 580 HB3 ASP 580 -6.605 11.346 -2.929 375 HD2 ASP 580 HD ASP 580 -5.666 11.550 0.880 376 H ILE 581 H ILE 581 -3.000 11.984 -3.901 377 HA ILE 581 HA ILE 581 -1.527 12.913 -1.575 378 HB ILE 581 HB ILE 581 0.621 12.285 -2.550 379 HG12 ILE 581 HG11 ILE 581 -0.990 10.698 -4.571 380 HG13 ILE 581 HG12 ILE 581 -0.116 12.178 -4.916 381 HG21 ILE 581 HG21 ILE 581 -0.963 9.743 -2.321 382 HG22 ILE 581 HG22 ILE 581 0.655 10.136 -1.693 383 HG23 ILE 581 HG23 ILE 581 -0.792 10.831 -0.922 384 HD11 ILE 581 HD11 ILE 581 1.612 10.277 -3.517 385 HD12 ILE 581 HD12 ILE 581 0.917 9.552 -4.987 386 HD13 ILE 581 HD13 ILE 581 1.850 11.064 -5.096 387 H GLY 582 H GLY 582 -3.266 14.519 -2.777 388 HA2 GLY 582 HA2 GLY 582 -2.367 15.789 -5.143 389 HA3 GLY 582 HA3 GLY 582 -3.545 16.392 -3.994 390 H SER 583 H SER 583 0.030 15.681 -3.979 391 HA SER 583 HA SER 583 1.020 18.116 -3.968 392 HB2 SER 583 HB2 SER 583 1.312 18.544 -1.381 393 HB3 SER 583 HB3 SER 583 -0.144 19.084 -2.194 394 HG SER 583 HG SER 583 0.133 17.243 -0.166 395 H ALA 584 H ALA 584 0.915 14.898 -2.553 396 HA ALA 584 HA ALA 584 3.780 14.971 -1.992 397 HB1 ALA 584 HB1 ALA 584 1.430 13.488 -1.012 398 HB2 ALA 584 HB2 ALA 584 2.837 12.448 -1.342 399 HB3 ALA 584 HB3 ALA 584 2.987 13.818 -0.214 400 H SER 585 H SER 585 5.274 13.699 -3.123 401 HA SER 585 HA SER 585 4.198 12.627 -5.600 402 HB2 SER 585 HB2 SER 585 6.365 14.333 -5.085 403 HB3 SER 585 HB3 SER 585 7.132 12.786 -5.386 404 HG SER 585 HG SER 585 5.056 13.525 -7.176 405 H GLN 586 H GLN 586 5.041 11.634 -2.520 406 HA GLN 586 HA GLN 586 5.413 8.951 -3.456 407 HB2 GLN 586 HB2 GLN 586 7.620 10.552 -2.335 408 HB3 GLN 586 HB3 GLN 586 7.355 9.067 -1.443 409 HG2 GLN 586 HG2 GLN 586 7.820 7.697 -3.301 410 HG3 GLN 586 HG3 GLN 586 7.385 8.936 -4.461 411 HE21 GLN 586 HE12 GLN 586 9.837 7.215 -3.832 412 HE22 GLN 586 HE22 GLN 586 11.176 8.314 -3.880 413 H LEU 587 H LEU 587 4.554 7.427 -2.002 414 HA LEU 587 HA LEU 587 3.776 8.462 0.623 415 HB2 LEU 587 HB2 LEU 587 1.797 8.754 -0.577 416 HB3 LEU 587 HB3 LEU 587 2.005 7.270 -1.486 417 HG LEU 587 HG LEU 587 1.754 6.879 1.429 418 HD11 LEU 587 HD11 LEU 587 0.235 8.822 1.040 419 HD12 LEU 587 HD12 LEU 587 -0.674 7.819 -0.116 420 HD13 LEU 587 HD13 LEU 587 -0.590 7.346 1.598 421 HD21 LEU 587 HD21 LEU 587 1.038 4.864 0.798 422 HD22 LEU 587 HD22 LEU 587 -0.145 5.543 -0.346 423 HD23 LEU 587 HD23 LEU 587 1.551 5.325 -0.843 424 H GLU 588 H GLU 588 4.124 7.039 2.289 425 HA GLU 588 HA GLU 588 5.345 4.545 1.488 426 HB2 GLU 588 HB2 GLU 588 5.929 4.475 4.009 427 HB3 GLU 588 HB3 GLU 588 6.714 5.700 3.032 428 HG2 GLU 588 HG2 GLU 588 4.090 6.494 4.236 429 HG3 GLU 588 HG3 GLU 588 5.397 6.236 5.375 430 HE2 GLU 588 HE GLU 588 7.408 7.481 4.807 431 H ALA 589 H ALA 589 4.606 2.484 2.205 432 HA ALA 589 HA ALA 589 2.104 2.478 3.714 433 HB1 ALA 589 HB1 ALA 589 1.905 2.383 1.065 434 HB2 ALA 589 HB2 ALA 589 2.367 0.682 1.317 435 HB3 ALA 589 HB3 ALA 589 0.904 1.332 2.096 436 H ALA 590 H ALA 590 1.918 0.728 5.119 437 HA ALA 590 HA ALA 590 4.148 -1.187 5.007 438 HB1 ALA 590 HB1 ALA 590 4.656 0.103 6.888 439 HB2 ALA 590 HB2 ALA 590 2.943 0.377 7.289 440 HB3 ALA 590 HB3 ALA 590 3.686 -1.212 7.595 441 H PHE 591 H PHE 591 3.605 -3.321 6.068 442 HA PHE 591 HA PHE 591 0.743 -3.886 5.727 443 HB2 PHE 591 HB2 PHE 591 2.982 -5.916 5.350 444 HB3 PHE 591 HB3 PHE 591 1.399 -5.904 4.597 445 HD1 PHE 591 HD2 PHE 591 0.972 -3.873 2.959 446 HD2 PHE 591 HD1 PHE 591 4.811 -5.283 4.088 447 HE1 PHE 591 HE2 PHE 591 1.960 -2.831 0.900 448 HE2 PHE 591 HE1 PHE 591 5.800 -4.242 2.030 449 HZ PHE 591 HZ PHE 591 4.362 -3.028 0.460 450 H ASN 592 H ASN 592 -0.268 -4.855 7.439 451 HA ASN 592 HA ASN 592 1.417 -6.251 9.334 452 HB2 ASN 592 HB2 ASN 592 0.183 -5.128 11.239 453 HB3 ASN 592 HB3 ASN 592 1.181 -4.016 10.323 454 HD21 ASN 592 HD21 ASN 592 0.275 -2.457 9.041 455 HD22 ASN 592 HD22 ASN 592 -1.404 -2.033 9.071 456 H ASP 593 H ASP 593 0.258 -7.994 10.386 457 HA ASP 593 HA ASP 593 -1.898 -8.998 8.987 458 HB2 ASP 593 HB2 ASP 593 -1.997 -10.703 10.749 459 HB3 ASP 593 HB3 ASP 593 -0.323 -10.358 10.360 460 HD2 ASP 593 HD ASP 593 0.650 -10.145 13.204 461 H GLY 594 H GLY 594 -1.587 -6.866 11.824 462 HA2 GLY 594 HA2 GLY 594 -4.117 -5.797 11.723 463 HA3 GLY 594 HA3 GLY 594 -4.254 -7.176 12.795 464 H ASN 595 H ASN 595 -1.524 -7.094 13.866 465 HA ASN 595 HA ASN 595 -0.559 -4.798 14.735 466 HB2 ASN 595 HB2 ASN 595 -3.218 -5.131 15.876 467 HB3 ASN 595 HB3 ASN 595 -2.041 -5.208 17.172 468 HD21 ASN 595 HD21 ASN 595 -3.803 -3.237 15.100 469 HD22 ASN 595 HD22 ASN 595 -3.037 -1.713 15.402 470 H ASN 596 H ASN 596 1.094 -6.575 14.623 471 HA ASN 596 HA ASN 596 1.909 -7.433 17.069 472 HB2 ASN 596 HB2 ASN 596 -0.250 -9.005 16.417 473 HB3 ASN 596 HB3 ASN 596 1.026 -9.935 15.656 474 HD21 ASN 596 HD21 ASN 596 1.419 -11.589 16.923 475 HD22 ASN 596 HD22 ASN 596 1.752 -11.546 18.623 476 H ASN 597 H ASN 597 1.567 -8.096 13.559 477 HA ASN 597 HA ASN 597 4.426 -8.663 13.507 478 HB2 ASN 597 HB2 ASN 597 2.723 -10.612 12.946 479 HB3 ASN 597 HB3 ASN 597 2.476 -9.755 11.437 480 HD21 ASN 597 HD21 ASN 597 3.820 -10.079 9.819 481 HD22 ASN 597 HD22 ASN 597 5.352 -10.884 9.889 482 H TRP 598 H TRP 598 4.882 -6.409 12.988 483 HA TRP 598 HA TRP 598 3.569 -5.341 10.609 484 HB2 TRP 598 HB2 TRP 598 5.349 -4.034 12.674 485 HB3 TRP 598 HB3 TRP 598 4.661 -3.223 11.282 486 HD1 TRP 598 HD TRP 598 3.425 -5.001 14.522 487 HE1 TRP 598 HE1 TRP 598 1.107 -4.008 15.302 488 HE3 TRP 598 HE3 TRP 598 2.791 -1.940 10.511 489 HZ2 TRP 598 HZ2 TRP 598 -0.690 -2.097 14.179 490 HZ3 TRP 598 HZ3 TRP 598 0.728 -0.544 10.430 491 HH2 TRP 598 HH TRP 598 -0.980 -0.588 12.179 492 H ASP 599 H ASP 599 4.594 -5.454 8.653 493 HA ASP 599 HA ASP 599 7.475 -5.892 8.754 494 HB2 ASP 599 HB2 ASP 599 5.294 -7.270 7.245 495 HB3 ASP 599 HB3 ASP 599 6.727 -6.909 6.305 496 HD2 ASP 599 HD ASP 599 8.464 -9.202 6.994 497 H SER 600 H SER 600 7.880 -3.586 8.448 498 HA SER 600 HA SER 600 7.323 -2.738 5.738 499 HB2 SER 600 HB2 SER 600 6.478 -0.588 6.378 500 HB3 SER 600 HB3 SER 600 5.574 -1.763 7.312 501 HG SER 600 HG SER 600 7.813 -0.170 8.227 502 H ASN 601 H ASN 601 9.674 -3.777 7.346 503 HA ASN 601 HA ASN 601 11.830 -3.415 7.241 504 HB2 ASN 601 HB2 ASN 601 10.924 -1.422 5.449 505 HB3 ASN 601 HB3 ASN 601 11.928 -0.536 6.579 506 HD21 ASN 601 HD21 ASN 601 14.092 -1.309 6.994 507 HD22 ASN 601 HD22 ASN 601 14.990 -2.111 5.749 508 H ASN 602 H ASN 602 12.686 -3.297 9.321 509 HA ASN 602 HA ASN 602 11.716 -2.082 11.424 510 HB2 ASN 602 HB2 ASN 602 14.602 -2.550 10.599 511 HB3 ASN 602 HB3 ASN 602 14.274 -1.768 12.133 512 HD21 ASN 602 HD21 ASN 602 14.499 -4.678 10.445 513 HD22 ASN 602 HD22 ASN 602 13.891 -5.770 11.644 514 H THR 603 H THR 603 13.740 -0.581 8.858 515 HA THR 603 HA THR 603 12.778 2.022 9.494 516 HB THR 603 HB THR 603 15.627 1.213 10.251 517 HG1 THR 603 HG1 THR 603 14.448 1.289 12.129 518 HG21 THR 603 HG21 THR 603 15.782 3.359 9.008 519 HG22 THR 603 HG22 THR 603 14.405 4.006 9.932 520 HG23 THR 603 HG23 THR 603 15.945 3.661 10.755 521 H LYS 604 H LYS 604 12.088 1.331 7.265 522 HA LYS 604 HA LYS 604 13.281 2.783 5.359 523 HB2 LYS 604 HB2 LYS 604 14.884 0.385 5.866 524 HB3 LYS 604 HB3 LYS 604 14.381 0.516 4.193 525 HG2 LYS 604 HG2 LYS 604 15.357 3.051 5.454 526 HG3 LYS 604 HG3 LYS 604 16.566 1.804 5.226 527 HD2 LYS 604 HD2 LYS 604 14.700 2.500 2.942 528 HD3 LYS 604 HD3 LYS 604 16.068 3.542 3.283 529 HE2 LYS 604 HE2 LYS 604 17.364 2.115 2.085 530 HE3 LYS 604 HE3 LYS 604 17.155 0.935 3.363 531 HZ2 LYS 604 HZ2 LYS 604 15.010 1.170 1.377 532 HZ3 LYS 604 HZ3 LYS 604 16.379 0.416 0.918 533 H ASN 605 H ASN 605 10.777 2.593 5.661 534 HA ASN 605 HA ASN 605 9.446 0.372 4.756 535 HB2 ASN 605 HB2 ASN 605 8.470 3.210 4.222 536 HB3 ASN 605 HB3 ASN 605 7.510 1.802 4.630 537 HD21 ASN 605 HD21 ASN 605 7.604 4.411 5.887 538 HD22 ASN 605 HD22 ASN 605 8.027 4.182 7.551 539 H TYR 606 H TYR 606 7.730 1.545 2.645 540 HA TYR 606 HA TYR 606 9.666 1.676 0.431 541 HB2 TYR 606 HB2 TYR 606 6.855 0.435 0.693 542 HB3 TYR 606 HB3 TYR 606 7.756 0.478 -0.810 543 HD1 TYR 606 HD1 TYR 606 10.051 -0.728 -0.859 544 HD2 TYR 606 HD2 TYR 606 7.113 -1.364 2.186 545 HE1 TYR 606 HE1 TYR 606 11.140 -2.946 -0.261 546 HE2 TYR 606 HE2 TYR 606 8.212 -3.580 2.773 547 HH TYR 606 HH TYR 606 10.784 -4.895 0.800 548 H LEU 607 H LEU 607 9.482 3.401 -0.932 549 HA LEU 607 HA LEU 607 7.195 5.162 -0.456 550 HB2 LEU 607 HB2 LEU 607 10.032 5.551 -1.263 551 HB3 LEU 607 HB3 LEU 607 8.846 6.664 -1.916 552 HG LEU 607 HG LEU 607 9.852 7.598 0.070 553 HD11 LEU 607 HD11 LEU 607 7.396 7.171 1.455 554 HD12 LEU 607 HD12 LEU 607 7.907 8.573 0.486 555 HD13 LEU 607 HD13 LEU 607 7.054 7.218 -0.291 556 HD21 LEU 607 HD21 LEU 607 8.733 5.363 1.754 557 HD22 LEU 607 HD22 LEU 607 10.366 5.278 1.051 558 HD23 LEU 607 HD23 LEU 607 9.949 6.593 2.176 559 H PHE 608 H PHE 608 5.596 5.323 -1.938 560 HA PHE 608 HA PHE 608 6.223 4.342 -4.634 561 HB2 PHE 608 HB2 PHE 608 3.549 4.267 -3.121 562 HB3 PHE 608 HB3 PHE 608 3.905 3.450 -4.631 563 HD1 PHE 608 HD2 PHE 608 6.431 2.118 -4.134 564 HD2 PHE 608 HD1 PHE 608 3.124 2.651 -1.528 565 HE1 PHE 608 HE2 PHE 608 7.101 0.060 -2.863 566 HE2 PHE 608 HE1 PHE 608 3.794 0.593 -0.258 567 HZ PHE 608 HZ PHE 608 5.774 -0.678 -0.940 568 H SER 609 H SER 609 5.186 5.428 -6.407 569 HA SER 609 HA SER 609 4.199 8.055 -5.619 570 HB2 SER 609 HB2 SER 609 6.315 8.078 -6.922 571 HB3 SER 609 HB3 SER 609 5.546 7.175 -8.212 572 HG SER 609 HG SER 609 5.290 9.229 -8.925 573 H THR 610 H THR 610 2.696 9.022 -7.487 574 HA THR 610 HA THR 610 0.393 7.469 -7.583 575 HB THR 610 HB THR 610 -0.321 9.265 -9.223 576 HG1 THR 610 HG1 THR 610 1.684 9.557 -10.327 577 HG21 THR 610 HG21 THR 610 0.275 11.268 -7.786 578 HG22 THR 610 HG22 THR 610 -0.393 9.915 -6.842 579 HG23 THR 610 HG23 THR 610 1.361 10.217 -6.846 580 H GLY 611 H GLY 611 -0.785 6.686 -9.535 581 HA2 GLY 611 HA2 GLY 611 -0.529 5.972 -11.844 582 HA3 GLY 611 HA3 GLY 611 1.109 5.478 -11.462 583 H THR 612 H THR 612 1.154 3.266 -11.607 584 HA THR 612 HA THR 612 -0.827 1.821 -9.982 585 HB THR 612 HB THR 612 0.225 0.951 -12.721 586 HG1 THR 612 HG1 THR 612 -1.485 2.162 -13.479 587 HG21 THR 612 HG21 THR 612 -2.122 0.069 -10.960 588 HG22 THR 612 HG22 THR 612 -1.866 -0.468 -12.638 589 HG23 THR 612 HG23 THR 612 -0.694 -0.910 -11.373 590 H SER 613 H SER 613 -0.012 0.391 -8.563 591 HA SER 613 HA SER 613 2.676 -0.555 -9.070 592 HB2 SER 613 HB2 SER 613 1.784 0.744 -6.458 593 HB3 SER 613 HB3 SER 613 3.301 -0.106 -6.675 594 HG SER 613 HG SER 613 2.983 1.772 -8.667 595 H THR 614 H THR 614 3.210 -2.502 -7.693 596 HA THR 614 HA THR 614 0.820 -3.779 -6.566 597 HB THR 614 HB THR 614 2.784 -5.281 -8.341 598 HG1 THR 614 HG1 THR 614 0.344 -3.766 -8.955 599 HG21 THR 614 HG21 THR 614 1.179 -6.695 -7.140 600 HG22 THR 614 HG22 THR 614 -0.161 -5.604 -7.569 601 HG23 THR 614 HG23 THR 614 0.638 -6.572 -8.831 602 H TYR 615 H TYR 615 1.211 -4.133 -4.479 603 HA TYR 615 HA TYR 615 3.986 -4.562 -3.676 604 HB2 TYR 615 HB2 TYR 615 3.112 -3.121 -2.064 605 HB3 TYR 615 HB3 TYR 615 1.483 -3.370 -2.660 606 HD1 TYR 615 HD1 TYR 615 3.976 -5.609 -0.952 607 HD2 TYR 615 HD2 TYR 615 0.046 -3.920 -0.931 608 HE1 TYR 615 HE1 TYR 615 3.408 -6.939 1.139 609 HE2 TYR 615 HE2 TYR 615 -0.509 -5.255 1.161 610 HH TYR 615 HH TYR 615 0.279 -7.366 2.208 611 H THR 616 H THR 616 4.694 -6.631 -3.555 612 HA THR 616 HA THR 616 2.740 -8.649 -2.660 613 HB THR 616 HB THR 616 5.091 -8.967 -4.599 614 HG1 THR 616 HG1 THR 616 3.352 -7.770 -5.554 615 HG21 THR 616 HG21 THR 616 2.943 -10.810 -3.500 616 HG22 THR 616 HG22 THR 616 3.521 -11.036 -5.168 617 HG23 THR 616 HG23 THR 616 4.661 -11.159 -3.806 618 HA PRO 617 HA PRO 617 5.622 -8.864 0.609 619 HB2 PRO 617 HB2 PRO 617 4.025 -10.255 2.336 620 HB3 PRO 617 HB3 PRO 617 4.012 -8.507 2.216 621 HG2 PRO 617 HG2 PRO 617 2.028 -10.448 1.200 622 HG3 PRO 617 HG3 PRO 617 1.841 -8.727 1.470 623 HD2 PRO 617 HD2 PRO 617 2.207 -10.039 -1.055 624 HD3 PRO 617 HD3 PRO 617 2.136 -8.311 -0.772 625 H GLY 618 H GLY 618 6.524 -10.673 2.087 626 HA2 GLY 618 HA2 GLY 618 6.892 -12.972 0.273 627 HA3 GLY 618 HA3 GLY 618 8.043 -12.400 1.465 628 H SER 619 H SER 619 8.131 -14.557 2.406 629 HA SER 619 HA SER 619 5.785 -15.057 4.061 630 HB2 SER 619 HB2 SER 619 6.196 -16.691 2.066 631 HB3 SER 619 HB3 SER 619 7.559 -17.281 2.997 632 HG SER 619 HG SER 619 5.835 -18.587 3.579 633 H ASN 620 H ASN 620 6.256 -15.948 6.197 634 HA ASN 620 HA ASN 620 7.387 -16.173 8.033 635 HB2 ASN 620 HB2 ASN 620 9.435 -16.968 5.987 636 HB3 ASN 620 HB3 ASN 620 10.075 -16.565 7.568 637 HD21 ASN 620 HD21 ASN 620 9.452 -19.086 5.851 638 HD22 ASN 620 HD22 ASN 620 8.773 -20.208 6.983 639 H GLY 621 H GLY 621 6.875 -13.650 7.861 640 HA2 GLY 621 HA2 GLY 621 7.532 -11.476 7.947 641 HA3 GLY 621 HA3 GLY 621 8.653 -12.121 9.130 642 H ALA 622 H ALA 622 8.430 -12.328 5.501 643 HA ALA 622 HA ALA 622 11.164 -11.247 5.427 644 HB1 ALA 622 HB1 ALA 622 9.936 -13.401 3.658 645 HB2 ALA 622 HB2 ALA 622 11.586 -12.747 3.523 646 HB3 ALA 622 HB3 ALA 622 11.113 -13.680 4.963 647 H ALA 623 H ALA 623 10.871 -9.152 4.783 648 HA ALA 623 HA ALA 623 8.806 -8.013 3.538 649 HB1 ALA 623 HB1 ALA 623 11.270 -7.208 4.282 650 HB2 ALA 623 HB2 ALA 623 11.502 -7.224 2.518 651 HB3 ALA 623 HB3 ALA 623 10.215 -6.227 3.237 652 H GLY 624 H GLY 624 8.337 -7.374 1.283 653 HA2 GLY 624 HA2 GLY 624 9.146 -9.507 -0.600 654 HA3 GLY 624 HA3 GLY 624 7.587 -8.708 -0.589 655 H THR 625 H THR 625 7.534 -7.656 -2.562 656 HA THR 625 HA THR 625 9.347 -5.422 -2.862 657 HB THR 625 HB THR 625 9.866 -6.257 -5.267 658 HG1 THR 625 HG1 THR 625 9.431 -8.514 -5.528 659 HG21 THR 625 HG21 THR 625 11.406 -6.526 -3.100 660 HG22 THR 625 HG22 THR 625 10.950 -8.240 -3.246 661 HG23 THR 625 HG23 THR 625 11.799 -7.429 -4.583 662 H ILE 626 H ILE 626 8.677 -3.989 -4.694 663 HA ILE 626 HA ILE 626 5.793 -4.310 -5.160 664 HB ILE 626 HB ILE 626 6.960 -1.592 -5.110 665 HG12 ILE 626 HG11 ILE 626 6.395 -1.773 -2.491 666 HG13 ILE 626 HG12 ILE 626 6.977 -3.406 -2.744 667 HG21 ILE 626 HG21 ILE 626 4.747 -1.339 -5.397 668 HG22 ILE 626 HG22 ILE 626 4.364 -2.934 -4.708 669 HG23 ILE 626 HG23 ILE 626 4.680 -1.552 -3.631 670 HD11 ILE 626 HD11 ILE 626 8.652 -1.327 -4.045 671 HD12 ILE 626 HD12 ILE 626 8.597 -1.224 -2.268 672 HD13 ILE 626 HD13 ILE 626 9.138 -2.726 -3.057 673 H ARG 627 H ARG 627 5.203 -4.431 -7.262 674 HA ARG 627 HA ARG 627 7.252 -3.648 -9.171 675 HB2 ARG 627 HB2 ARG 627 5.468 -5.967 -8.952 676 HB3 ARG 627 HB3 ARG 627 5.255 -5.179 -10.503 677 HG2 ARG 627 HG2 ARG 627 8.096 -5.490 -9.651 678 HG3 ARG 627 HG3 ARG 627 7.252 -6.999 -9.935 679 HD2 ARG 627 HD1 ARG 627 7.502 -6.707 -12.172 680 HD3 ARG 627 HD2 ARG 627 6.519 -5.259 -12.088 681 HE ARG 627 HE ARG 627 8.461 -3.955 -12.212 682 HH11 ARG 627 HH22 ARG 627 9.364 -7.272 -11.356 683 HH12 ARG 627 HH21 ARG 627 11.064 -6.982 -11.513 684 HH22 ARG 627 HH1 ARG 627 11.829 -4.799 -12.140 685 H THR 628 H THR 628 6.815 -1.885 -10.472 686 HA THR 628 HA THR 628 4.268 -0.588 -10.224 687 HB THR 628 HB THR 628 6.083 0.435 -12.292 688 HG1 THR 628 HG1 THR 628 7.965 0.202 -11.111 689 HG21 THR 628 HG21 THR 628 5.207 1.350 -9.508 690 HG22 THR 628 HG22 THR 628 6.330 2.290 -10.520 691 HG23 THR 628 HG23 THR 628 4.665 1.994 -11.077 692 H GLY 629 H GLY 629 2.752 -0.129 -11.876 693 HA2 GLY 629 HA2 GLY 629 2.023 -0.372 -14.122 694 HA3 GLY 629 HA3 GLY 629 2.987 -1.827 -14.275 695 H ALA 630 H ALA 630 -0.023 -1.213 -14.587 696 HA ALA 630 HA ALA 630 -1.424 -2.413 -12.500 697 HB1 ALA 630 HB1 ALA 630 -2.248 -2.561 -15.407 698 HB2 ALA 630 HB2 ALA 630 -3.263 -2.317 -13.965 699 HB3 ALA 630 HB3 ALA 630 -2.209 -1.005 -14.544 700 HA PRO 631 HA PRO 631 -0.117 -6.530 -13.162 701 HB2 PRO 631 HB2 PRO 631 -1.391 -7.649 -11.019 702 HB3 PRO 631 HB3 PRO 631 0.185 -6.893 -10.908 703 HG2 PRO 631 HG2 PRO 631 -2.433 -5.860 -10.006 704 HG3 PRO 631 HG3 PRO 631 -0.827 -5.338 -9.539 705 HD2 PRO 631 HD2 PRO 631 -2.603 -4.007 -11.356 706 HD3 PRO 631 HD3 PRO 631 -0.955 -3.549 -10.977 707 H SER 632 H SER 632 -0.880 -8.587 -13.878 708 HA SER 632 HA SER 632 -3.739 -8.534 -14.363 709 HB2 SER 632 HB2 SER 632 -3.381 -9.305 -16.707 710 HB3 SER 632 HB3 SER 632 -2.749 -7.693 -16.435 711 HG SER 632 HG SER 632 -0.610 -8.615 -16.212 712 H GLY 633 H GLY 633 -3.596 -10.087 -12.504 713 HA2 GLY 633 HA2 GLY 633 -3.838 -12.235 -11.831 714 HA3 GLY 633 HA3 GLY 633 -3.449 -12.787 -13.448 Start of MODEL 16 1 H1 GLY 530 H GLY 530 -10.092 16.538 0.269 2 HA2 GLY 530 HA2 GLY 530 -11.665 16.541 -1.851 3 HA3 GLY 530 HA3 GLY 530 -10.206 17.186 -2.577 4 H GLY 531 H GLY 531 -11.403 14.663 -3.302 5 HA2 GLY 531 HA2 GLY 531 -9.263 12.825 -2.414 6 HA3 GLY 531 HA3 GLY 531 -10.934 12.318 -2.552 7 H THR 532 H THR 532 -8.464 14.107 -4.543 8 HA THR 532 HA THR 532 -8.906 12.227 -6.706 9 HB THR 532 HB THR 532 -9.257 14.340 -8.239 10 HG1 THR 532 HG1 THR 532 -8.792 15.640 -6.149 11 HG21 THR 532 HG21 THR 532 -11.095 12.605 -7.061 12 HG22 THR 532 HG22 THR 532 -11.669 14.197 -6.508 13 HG23 THR 532 HG23 THR 532 -11.510 13.864 -8.249 14 H THR 533 H THR 533 -7.663 15.273 -7.687 15 HA THR 533 HA THR 533 -5.602 15.596 -8.595 16 HB THR 533 HB THR 533 -4.088 16.291 -6.767 17 HG1 THR 533 HG1 THR 533 -6.011 14.848 -5.095 18 HG21 THR 533 HG21 THR 533 -5.949 17.207 -5.073 19 HG22 THR 533 HG22 THR 533 -5.818 17.893 -6.710 20 HG23 THR 533 HG23 THR 533 -7.065 16.674 -6.353 21 H ASN 534 H ASN 534 -3.159 14.583 -6.903 22 HA ASN 534 HA ASN 534 -2.749 12.360 -8.618 23 HB2 ASN 534 HB2 ASN 534 -0.851 12.880 -6.349 24 HB3 ASN 534 HB3 ASN 534 -0.498 12.596 -8.042 25 HD21 ASN 534 HD21 ASN 534 0.513 14.634 -6.239 26 HD22 ASN 534 HD22 ASN 534 0.146 16.179 -6.932 27 H LYS 535 H LYS 535 -2.630 10.133 -7.970 28 HA LYS 535 HA LYS 535 -2.956 9.542 -5.142 29 HB2 LYS 535 HB2 LYS 535 -4.859 8.393 -7.199 30 HB3 LYS 535 HB3 LYS 535 -4.884 8.143 -5.465 31 HG2 LYS 535 HG2 LYS 535 -5.399 10.517 -5.072 32 HG3 LYS 535 HG3 LYS 535 -5.205 10.883 -6.775 33 HD2 LYS 535 HD2 LYS 535 -7.484 10.603 -6.829 34 HD3 LYS 535 HD3 LYS 535 -7.075 8.905 -6.967 35 HE2 LYS 535 HE2 LYS 535 -7.243 8.654 -4.486 36 HE3 LYS 535 HE3 LYS 535 -7.629 10.356 -4.334 37 HZ2 LYS 535 HZ2 LYS 535 -9.285 8.679 -6.101 38 HZ3 LYS 535 HZ3 LYS 535 -9.546 8.628 -4.495 39 H VAL 536 H VAL 536 -2.331 7.342 -4.603 40 HA VAL 536 HA VAL 536 -0.716 6.139 -6.745 41 HB VAL 536 HB VAL 536 -0.130 5.656 -3.864 42 HG11 VAL 536 HG11 VAL 536 1.246 4.452 -5.347 43 HG12 VAL 536 HG12 VAL 536 1.445 5.845 -6.438 44 HG13 VAL 536 HG13 VAL 536 2.240 5.841 -4.845 45 HG21 VAL 536 HG21 VAL 536 1.289 7.694 -3.767 46 HG22 VAL 536 HG22 VAL 536 0.575 8.234 -5.306 47 HG23 VAL 536 HG23 VAL 536 -0.450 8.061 -3.861 48 H THR 537 H THR 537 -1.285 4.117 -7.375 49 HA THR 537 HA THR 537 -3.205 2.704 -5.649 50 HB THR 537 HB THR 537 -2.689 2.536 -8.666 51 HG1 THR 537 HG1 THR 537 -4.889 3.586 -7.033 52 HG21 THR 537 HG21 THR 537 -3.910 0.595 -8.451 53 HG22 THR 537 HG22 THR 537 -4.348 0.963 -6.765 54 HG23 THR 537 HG23 THR 537 -5.281 1.676 -8.103 55 H VAL 538 H VAL 538 -2.619 0.878 -4.656 56 HA VAL 538 HA VAL 538 -0.274 -0.510 -5.749 57 HB VAL 538 HB VAL 538 -0.843 -0.387 -2.808 58 HG11 VAL 538 HG11 VAL 538 1.623 -0.714 -2.689 59 HG12 VAL 538 HG12 VAL 538 0.781 -2.024 -3.552 60 HG13 VAL 538 HG13 VAL 538 1.670 -0.783 -4.467 61 HG21 VAL 538 HG21 VAL 538 -0.784 1.936 -3.324 62 HG22 VAL 538 HG22 VAL 538 0.832 1.518 -2.704 63 HG23 VAL 538 HG23 VAL 538 0.575 1.726 -4.453 64 H TYR 539 H TYR 539 -0.528 -2.694 -6.030 65 HA TYR 539 HA TYR 539 -3.125 -3.770 -5.208 66 HB2 TYR 539 HB2 TYR 539 -1.061 -4.119 -7.390 67 HB3 TYR 539 HB3 TYR 539 -1.864 -5.595 -6.892 68 HD1 TYR 539 HD2 TYR 539 -2.445 -2.198 -8.282 69 HD2 TYR 539 HD1 TYR 539 -4.097 -6.080 -7.575 70 HE1 TYR 539 HE2 TYR 539 -4.419 -1.639 -9.784 71 HE2 TYR 539 HE1 TYR 539 -6.066 -5.509 -9.079 72 HH TYR 539 HH TYR 539 -7.223 -3.527 -9.850 73 H TYR 540 H TYR 540 -3.316 -5.584 -3.902 74 HA TYR 540 HA TYR 540 -0.781 -6.750 -2.972 75 HB2 TYR 540 HB2 TYR 540 -1.618 -5.345 -1.178 76 HB3 TYR 540 HB3 TYR 540 -3.288 -5.685 -1.583 77 HD1 TYR 540 HD1 TYR 540 -0.231 -7.575 -0.477 78 HD2 TYR 540 HD2 TYR 540 -4.463 -7.052 -0.128 79 HE1 TYR 540 HE1 TYR 540 -0.311 -9.362 1.330 80 HE2 TYR 540 HE2 TYR 540 -4.528 -8.841 1.677 81 HH TYR 540 HH TYR 540 -3.377 -10.519 2.587 82 H LYS 541 H LYS 541 -0.739 -8.985 -2.730 83 HA LYS 541 HA LYS 541 -3.017 -10.357 -3.890 84 HB2 LYS 541 HB2 LYS 541 -0.592 -10.706 -4.604 85 HB3 LYS 541 HB3 LYS 541 -0.352 -11.536 -3.080 86 HG2 LYS 541 HG2 LYS 541 -1.785 -13.313 -3.653 87 HG3 LYS 541 HG3 LYS 541 -2.706 -12.348 -4.789 88 HD2 LYS 541 HD2 LYS 541 -0.354 -12.237 -6.084 89 HD3 LYS 541 HD3 LYS 541 -0.034 -13.700 -5.174 90 HE2 LYS 541 HE2 LYS 541 -2.512 -14.339 -6.056 91 HE3 LYS 541 HE3 LYS 541 -2.083 -13.210 -7.326 92 HZ2 LYS 541 HZ2 LYS 541 -1.252 -15.242 -8.088 93 HZ3 LYS 541 HZ3 LYS 541 0.089 -14.586 -7.437 94 H LYS 542 H LYS 542 -4.639 -11.012 -2.591 95 HA LYS 542 HA LYS 542 -4.087 -11.365 0.228 96 HB2 LYS 542 HB2 LYS 542 -6.102 -10.416 0.309 97 HB3 LYS 542 HB3 LYS 542 -6.363 -10.647 -1.408 98 HG2 LYS 542 HG2 LYS 542 -8.087 -11.936 -0.416 99 HG3 LYS 542 HG3 LYS 542 -6.876 -13.133 -0.828 100 HD2 LYS 542 HD2 LYS 542 -6.275 -12.075 1.806 101 HD3 LYS 542 HD3 LYS 542 -7.963 -12.543 1.763 102 HE2 LYS 542 HE2 LYS 542 -6.424 -14.592 0.415 103 HE3 LYS 542 HE3 LYS 542 -5.653 -14.250 1.951 104 HZ2 LYS 542 HZ2 LYS 542 -7.898 -15.783 1.603 105 HZ3 LYS 542 HZ3 LYS 542 -7.353 -15.228 3.033 106 H GLY 543 H GLY 543 -3.976 -14.793 0.546 107 HA2 GLY 543 HA2 GLY 543 -2.650 -12.548 1.283 108 HA3 GLY 543 HA3 GLY 543 -4.308 -12.176 1.710 109 H PHE 544 H PHE 544 -4.654 -12.520 3.858 110 HA PHE 544 HA PHE 544 -3.629 -15.036 4.958 111 HB2 PHE 544 HB2 PHE 544 -3.133 -12.196 5.658 112 HB3 PHE 544 HB3 PHE 544 -3.794 -13.071 7.026 113 HD1 PHE 544 HD1 PHE 544 -2.626 -15.411 7.491 114 HD2 PHE 544 HD2 PHE 544 -0.844 -12.199 5.367 115 HE1 PHE 544 HE1 PHE 544 -0.349 -16.338 8.000 116 HE2 PHE 544 HE2 PHE 544 1.433 -13.126 5.875 117 HZ PHE 544 HZ PHE 544 1.653 -15.184 7.186 118 H ASN 545 H ASN 545 -5.933 -12.263 5.319 119 HA ASN 545 HA ASN 545 -8.122 -13.888 5.582 120 HB2 ASN 545 HB2 ASN 545 -8.615 -13.424 8.081 121 HB3 ASN 545 HB3 ASN 545 -7.407 -14.650 7.752 122 HD21 ASN 545 HD21 ASN 545 -5.293 -14.328 8.252 123 HD22 ASN 545 HD22 ASN 545 -4.696 -12.984 9.167 124 H SER 546 H SER 546 -6.454 -10.917 6.814 125 HA SER 546 HA SER 546 -8.046 -9.193 5.391 126 HB2 SER 546 HB2 SER 546 -9.126 -9.941 8.064 127 HB3 SER 546 HB3 SER 546 -9.042 -8.216 7.768 128 HG SER 546 HG SER 546 -10.584 -8.347 6.248 129 HA PRO 547 HA PRO 547 -4.272 -7.699 7.528 130 HB2 PRO 547 HB2 PRO 547 -2.608 -7.515 5.368 131 HB3 PRO 547 HB3 PRO 547 -2.634 -8.899 6.443 132 HG2 PRO 547 HG2 PRO 547 -3.735 -8.653 3.710 133 HG3 PRO 547 HG3 PRO 547 -3.372 -10.105 4.621 134 HD2 PRO 547 HD2 PRO 547 -5.966 -8.970 4.163 135 HD3 PRO 547 HD3 PRO 547 -5.591 -10.355 5.169 136 H TYR 548 H TYR 548 -3.551 -5.586 7.793 137 HA TYR 548 HA TYR 548 -5.054 -3.759 6.057 138 HB2 TYR 548 HB2 TYR 548 -4.131 -3.958 8.920 139 HB3 TYR 548 HB3 TYR 548 -3.993 -2.351 8.234 140 HD1 TYR 548 HD1 TYR 548 -6.387 -5.074 9.030 141 HD2 TYR 548 HD2 TYR 548 -5.922 -0.978 7.884 142 HE1 TYR 548 HE1 TYR 548 -8.852 -4.657 9.493 143 HE2 TYR 548 HE2 TYR 548 -8.389 -0.575 8.350 144 HH TYR 548 HH TYR 548 -10.388 -3.101 9.782 145 H ILE 549 H ILE 549 -3.974 -1.630 5.569 146 HA ILE 549 HA ILE 549 -1.066 -1.968 5.359 147 HB ILE 549 HB ILE 549 -1.571 -2.375 3.194 148 HG12 ILE 549 HG11 ILE 549 -1.864 0.600 2.893 149 HG13 ILE 549 HG12 ILE 549 -0.386 -0.058 3.568 150 HG21 ILE 549 HG21 ILE 549 -3.968 -2.387 3.385 151 HG22 ILE 549 HG22 ILE 549 -4.016 -0.610 3.476 152 HG23 ILE 549 HG23 ILE 549 -3.508 -1.410 1.970 153 HD11 ILE 549 HD11 ILE 549 -1.292 -0.042 0.793 154 HD12 ILE 549 HD12 ILE 549 0.316 -0.434 1.448 155 HD13 ILE 549 HD13 ILE 549 -0.930 -1.700 1.330 156 H HIS 550 H HIS 550 0.174 -0.098 5.700 157 HA HIS 550 HA HIS 550 -1.373 2.291 6.366 158 HB2 HIS 550 HB2 HIS 550 -0.794 1.056 8.435 159 HB3 HIS 550 HB3 HIS 550 0.904 1.152 8.012 160 HD1 HIS 550 HD1 HIS 550 -1.199 4.182 7.342 161 HD2 HIS 550 HE2 HIS 550 1.349 2.738 10.345 162 HE1 HIS 550 HE1 HIS 550 -0.697 6.164 8.869 163 H TYR 551 H TYR 551 -0.747 3.914 5.043 164 HA TYR 551 HA TYR 551 2.069 3.907 4.183 165 HB2 TYR 551 HB2 TYR 551 0.631 5.374 2.314 166 HB3 TYR 551 HB3 TYR 551 0.949 3.660 2.136 167 HD1 TYR 551 HD1 TYR 551 -1.568 6.088 3.435 168 HD2 TYR 551 HD2 TYR 551 -0.824 2.099 2.079 169 HE1 TYR 551 HE1 TYR 551 -4.067 5.619 3.422 170 HE2 TYR 551 HE2 TYR 551 -3.326 1.643 2.071 171 HH TYR 551 HH TYR 551 -5.517 3.636 1.862 172 H ARG 552 H ARG 552 2.947 6.099 3.656 173 HA ARG 552 HA ARG 552 1.510 8.198 5.037 174 HB2 ARG 552 HB2 ARG 552 2.989 7.910 6.786 175 HB3 ARG 552 HB3 ARG 552 4.135 7.021 5.803 176 HG2 ARG 552 HG2 ARG 552 5.101 9.032 4.905 177 HG3 ARG 552 HG3 ARG 552 3.756 10.018 5.444 178 HD2 ARG 552 HD2 ARG 552 5.215 10.519 7.167 179 HD3 ARG 552 HD3 ARG 552 4.528 9.064 7.862 180 HE ARG 552 HE ARG 552 6.568 7.992 6.433 181 HH11 ARG 552 HH22 ARG 552 6.528 10.828 8.556 182 HH12 ARG 552 HH21 ARG 552 8.191 10.667 9.010 183 HH22 ARG 552 HH1 ARG 552 9.486 8.866 8.102 184 HA PRO 553 HA PRO 553 2.878 10.271 1.429 185 HB2 PRO 553 HB2 PRO 553 1.915 12.767 1.982 186 HB3 PRO 553 HB3 PRO 553 0.929 11.489 1.301 187 HG2 PRO 553 HG2 PRO 553 0.955 12.535 4.065 188 HG3 PRO 553 HG3 PRO 553 -0.279 11.584 3.263 189 HD2 PRO 553 HD2 PRO 553 1.632 10.646 5.186 190 HD3 PRO 553 HD3 PRO 553 0.475 9.674 4.299 191 H ALA 554 H ALA 554 4.355 11.883 0.583 192 HA ALA 554 HA ALA 554 6.703 11.918 1.991 193 HB1 ALA 554 HB1 ALA 554 5.526 13.282 -0.350 194 HB2 ALA 554 HB2 ALA 554 6.830 14.198 0.442 195 HB3 ALA 554 HB3 ALA 554 7.133 12.545 -0.144 196 H GLY 555 H GLY 555 3.793 13.813 2.467 197 HA2 GLY 555 HA2 GLY 555 4.778 16.134 3.616 198 HA3 GLY 555 HA3 GLY 555 3.249 15.367 3.996 199 H GLY 556 H GLY 556 4.987 12.824 4.740 200 HA2 GLY 556 HA2 GLY 556 6.208 12.075 6.523 201 HA3 GLY 556 HA3 GLY 556 6.335 13.708 7.147 202 H SER 557 H SER 557 3.191 12.366 6.149 203 HA SER 557 HA SER 557 2.430 12.454 8.954 204 HB2 SER 557 HB2 SER 557 0.271 12.170 6.951 205 HB3 SER 557 HB3 SER 557 0.406 13.285 8.296 206 HG SER 557 HG SER 557 0.895 13.737 5.646 207 H TRP 558 H TRP 558 1.075 10.708 9.832 208 HA TRP 558 HA TRP 558 1.250 8.237 8.246 209 HB2 TRP 558 HB2 TRP 558 1.922 8.723 11.137 210 HB3 TRP 558 HB3 TRP 558 1.429 7.138 10.575 211 HD1 TRP 558 HD TRP 558 4.464 9.342 10.766 212 HE1 TRP 558 HE1 TRP 558 6.577 8.269 9.605 213 HE3 TRP 558 HE3 TRP 558 1.932 5.609 8.418 214 HZ2 TRP 558 HZ2 TRP 558 6.944 6.031 7.874 215 HZ3 TRP 558 HZ3 TRP 558 3.243 4.023 7.011 216 HH2 TRP 558 HH TRP 558 5.665 4.189 6.720 217 H THR 559 H THR 559 -0.878 8.155 7.517 218 HA THR 559 HA THR 559 -3.111 9.136 8.718 219 HB THR 559 HB THR 559 -2.862 6.513 7.155 220 HG1 THR 559 HG1 THR 559 -2.934 8.042 5.356 221 HG21 THR 559 HG21 THR 559 -5.020 7.780 6.135 222 HG22 THR 559 HG22 THR 559 -5.169 6.686 7.532 223 HG23 THR 559 HG23 THR 559 -5.094 8.447 7.784 224 H ALA 560 H ALA 560 -5.007 7.794 9.643 225 HA ALA 560 HA ALA 560 -4.265 6.975 12.185 226 HB1 ALA 560 HB1 ALA 560 -6.508 7.813 11.456 227 HB2 ALA 560 HB2 ALA 560 -6.782 6.261 10.628 228 HB3 ALA 560 HB3 ALA 560 -6.598 6.305 12.398 229 H ALA 561 H ALA 561 -2.952 5.273 12.640 230 HA ALA 561 HA ALA 561 -2.856 3.011 10.889 231 HB1 ALA 561 HB1 ALA 561 -1.621 2.949 13.609 232 HB2 ALA 561 HB2 ALA 561 -0.932 2.503 12.030 233 HB3 ALA 561 HB3 ALA 561 -1.053 4.216 12.496 234 HA PRO 562 HA PRO 562 -2.711 1.196 10.673 235 HB2 PRO 562 HB2 PRO 562 -4.228 -0.709 9.432 236 HB3 PRO 562 HB3 PRO 562 -3.034 -1.084 10.658 237 HG2 PRO 562 HG2 PRO 562 -5.980 -1.049 10.890 238 HG3 PRO 562 HG3 PRO 562 -4.805 -1.815 11.941 239 HD2 PRO 562 HD2 PRO 562 -6.225 0.626 12.445 240 HD3 PRO 562 HD3 PRO 562 -4.967 -0.079 13.440 241 H GLY 563 H GLY 563 -2.515 1.961 8.582 242 HA2 GLY 563 HA2 GLY 563 -3.890 4.101 7.805 243 HA3 GLY 563 HA3 GLY 563 -3.267 2.926 6.663 244 H VAL 564 H VAL 564 -4.676 1.551 5.537 245 HA VAL 564 HA VAL 564 -7.478 1.597 6.358 246 HB VAL 564 HB VAL 564 -6.682 2.015 3.488 247 HG11 VAL 564 HG11 VAL 564 -8.907 1.392 3.525 248 HG12 VAL 564 HG12 VAL 564 -9.211 2.160 5.102 249 HG13 VAL 564 HG13 VAL 564 -9.046 3.163 3.640 250 HG21 VAL 564 HG21 VAL 564 -6.974 4.407 3.732 251 HG22 VAL 564 HG22 VAL 564 -7.333 4.225 5.466 252 HG23 VAL 564 HG23 VAL 564 -5.704 3.856 4.851 253 H LYS 565 H LYS 565 -8.740 -0.175 5.288 254 HA LYS 565 HA LYS 565 -7.051 -2.517 5.131 255 HB2 LYS 565 HB2 LYS 565 -8.984 -3.760 5.539 256 HB3 LYS 565 HB3 LYS 565 -9.208 -2.309 6.495 257 HG2 LYS 565 HG2 LYS 565 -11.260 -2.279 5.451 258 HG3 LYS 565 HG3 LYS 565 -10.365 -1.458 4.188 259 HD2 LYS 565 HD2 LYS 565 -10.544 -3.222 2.741 260 HD3 LYS 565 HD3 LYS 565 -10.172 -4.402 3.983 261 HE2 LYS 565 HE2 LYS 565 -12.390 -4.774 4.491 262 HE3 LYS 565 HE3 LYS 565 -12.829 -3.088 4.298 263 HZ2 LYS 565 HZ2 LYS 565 -12.328 -3.674 1.775 264 HZ3 LYS 565 HZ3 LYS 565 -12.714 -5.180 2.259 265 H MET 566 H MET 566 -6.333 -3.390 3.265 266 HA MET 566 HA MET 566 -6.399 -2.311 0.892 267 HB2 MET 566 HB2 MET 566 -5.945 -4.941 1.969 268 HB3 MET 566 HB3 MET 566 -6.894 -5.172 0.513 269 HG2 MET 566 HG2 MET 566 -4.766 -5.135 -0.429 270 HG3 MET 566 HG3 MET 566 -5.143 -3.426 -0.523 271 HE1 MET 566 HE1 MET 566 -2.898 -3.171 -0.946 272 HE2 MET 566 HE2 MET 566 -2.605 -1.921 0.287 273 HE3 MET 566 HE3 MET 566 -1.518 -3.325 0.168 274 H GLN 567 H GLN 567 -7.809 -1.816 -0.754 275 HA GLN 567 HA GLN 567 -10.532 -2.720 -0.367 276 HB2 GLN 567 HB2 GLN 567 -9.225 -0.336 -1.565 277 HB3 GLN 567 HB3 GLN 567 -10.612 -0.918 -2.462 278 HG2 GLN 567 HG2 GLN 567 -10.953 -0.773 0.511 279 HG3 GLN 567 HG3 GLN 567 -10.800 0.766 -0.314 280 HE21 GLN 567 HE12 GLN 567 -12.610 -2.231 -0.096 281 HE22 GLN 567 HE22 GLN 567 -14.076 -1.685 -0.838 282 H ASP 568 H ASP 568 -11.147 -4.539 -1.448 283 HA ASP 568 HA ASP 568 -9.794 -5.962 -3.176 284 HB2 ASP 568 HB2 ASP 568 -12.517 -5.759 -2.399 285 HB3 ASP 568 HB3 ASP 568 -12.556 -5.779 -4.151 286 HD2 ASP 568 HD ASP 568 -13.214 -8.765 -3.722 287 H ALA 569 H ALA 569 -9.511 -6.088 -5.516 288 HA ALA 569 HA ALA 569 -9.811 -3.512 -6.829 289 HB1 ALA 569 HB1 ALA 569 -7.721 -5.185 -6.725 290 HB2 ALA 569 HB2 ALA 569 -8.542 -5.891 -8.138 291 HB3 ALA 569 HB3 ALA 569 -8.050 -4.180 -8.157 292 H GLU 570 H GLU 570 -9.726 -5.147 -9.475 293 HA GLU 570 HA GLU 570 -12.531 -5.933 -9.448 294 HB2 GLU 570 HB2 GLU 570 -12.889 -4.822 -11.599 295 HB3 GLU 570 HB3 GLU 570 -12.302 -3.654 -10.431 296 HG2 GLU 570 HG2 GLU 570 -9.910 -4.462 -11.439 297 HG3 GLU 570 HG3 GLU 570 -10.912 -4.805 -12.835 298 HE2 GLU 570 HE GLU 570 -9.022 -2.427 -11.934 299 H ILE 571 H ILE 571 -9.564 -7.125 -9.562 300 HA ILE 571 HA ILE 571 -9.626 -8.525 -12.066 301 HB ILE 571 HB ILE 571 -7.848 -8.813 -9.641 302 HG12 ILE 571 HG11 ILE 571 -7.682 -6.590 -10.605 303 HG13 ILE 571 HG12 ILE 571 -6.226 -7.507 -10.932 304 HG21 ILE 571 HG21 ILE 571 -6.585 -9.670 -12.039 305 HG22 ILE 571 HG22 ILE 571 -6.986 -10.619 -10.589 306 HG23 ILE 571 HG23 ILE 571 -8.156 -10.498 -11.924 307 HD11 ILE 571 HD11 ILE 571 -6.783 -6.431 -12.998 308 HD12 ILE 571 HD12 ILE 571 -7.280 -8.128 -13.204 309 HD13 ILE 571 HD13 ILE 571 -8.500 -6.880 -12.854 310 H SER 572 H SER 572 -9.124 -10.038 -8.839 311 HA SER 572 HA SER 572 -11.474 -11.241 -8.456 312 HB2 SER 572 HB2 SER 572 -10.300 -12.306 -10.862 313 HB3 SER 572 HB3 SER 572 -10.263 -13.569 -9.648 314 HG SER 572 HG SER 572 -12.590 -12.052 -10.473 315 H GLY 573 H GLY 573 -10.677 -11.064 -6.310 316 HA2 GLY 573 HA2 GLY 573 -9.894 -12.235 -4.476 317 HA3 GLY 573 HA3 GLY 573 -8.877 -13.218 -5.509 318 H TYR 574 H TYR 574 -8.633 -9.950 -6.476 319 HA TYR 574 HA TYR 574 -6.103 -9.719 -5.011 320 HB2 TYR 574 HB2 TYR 574 -7.137 -9.261 -7.719 321 HB3 TYR 574 HB3 TYR 574 -6.563 -7.732 -7.085 322 HD1 TYR 574 HD2 TYR 574 -4.150 -7.661 -6.142 323 HD2 TYR 574 HD1 TYR 574 -5.624 -10.824 -8.616 324 HE1 TYR 574 HE2 TYR 574 -1.767 -8.318 -6.734 325 HE2 TYR 574 HE1 TYR 574 -3.236 -11.472 -9.199 326 HH TYR 574 HH TYR 574 -0.605 -9.451 -8.521 327 H ALA 575 H ALA 575 -5.466 -7.592 -4.175 328 HA ALA 575 HA ALA 575 -7.827 -5.989 -3.461 329 HB1 ALA 575 HB1 ALA 575 -6.477 -5.414 -1.403 330 HB2 ALA 575 HB2 ALA 575 -6.965 -7.122 -1.510 331 HB3 ALA 575 HB3 ALA 575 -5.296 -6.647 -1.906 332 H LYS 576 H LYS 576 -7.412 -3.642 -3.195 333 HA LYS 576 HA LYS 576 -4.962 -2.634 -4.314 334 HB2 LYS 576 HB2 LYS 576 -5.826 -1.614 -6.247 335 HB3 LYS 576 HB3 LYS 576 -6.424 -3.260 -6.296 336 HG2 LYS 576 HG2 LYS 576 -8.621 -2.579 -5.501 337 HG3 LYS 576 HG3 LYS 576 -8.050 -0.969 -5.111 338 HD2 LYS 576 HD2 LYS 576 -7.574 -1.743 -7.939 339 HD3 LYS 576 HD3 LYS 576 -9.270 -1.703 -7.500 340 HE2 LYS 576 HE2 LYS 576 -8.670 0.629 -6.396 341 HE3 LYS 576 HE3 LYS 576 -7.247 0.556 -7.416 342 HZ2 LYS 576 HZ2 LYS 576 -8.991 1.656 -8.623 343 HZ3 LYS 576 HZ3 LYS 576 -8.796 0.203 -9.334 344 H ILE 577 H ILE 577 -4.542 -0.530 -3.618 345 HA ILE 577 HA ILE 577 -6.721 0.773 -2.158 346 HB ILE 577 HB ILE 577 -5.690 0.746 -0.200 347 HG12 ILE 577 HG11 ILE 577 -4.073 2.420 -0.824 348 HG13 ILE 577 HG12 ILE 577 -3.284 1.190 0.143 349 HG21 ILE 577 HG21 ILE 577 -3.666 -1.220 -1.230 350 HG22 ILE 577 HG22 ILE 577 -4.574 -1.216 0.301 351 HG23 ILE 577 HG23 ILE 577 -5.398 -1.630 -1.222 352 HD11 ILE 577 HD11 ILE 577 -3.148 0.403 -2.643 353 HD12 ILE 577 HD12 ILE 577 -2.564 2.076 -2.472 354 HD13 ILE 577 HD13 ILE 577 -1.814 0.770 -1.523 355 H THR 578 H THR 578 -6.614 3.081 -2.134 356 HA THR 578 HA THR 578 -4.599 4.178 -3.983 357 HB THR 578 HB THR 578 -7.560 4.933 -3.742 358 HG1 THR 578 HG1 THR 578 -7.676 3.653 -5.669 359 HG21 THR 578 HG21 THR 578 -7.151 6.144 -5.854 360 HG22 THR 578 HG22 THR 578 -6.032 6.758 -4.614 361 HG23 THR 578 HG23 THR 578 -5.450 5.621 -5.854 362 H VAL 579 H VAL 579 -3.535 5.998 -3.366 363 HA VAL 579 HA VAL 579 -4.510 7.285 -0.918 364 HB VAL 579 HB VAL 579 -1.596 6.774 -1.483 365 HG11 VAL 579 HG11 VAL 579 -2.911 8.389 0.366 366 HG12 VAL 579 HG12 VAL 579 -2.475 6.935 1.296 367 HG13 VAL 579 HG13 VAL 579 -1.214 7.855 0.439 368 HG21 VAL 579 HG21 VAL 579 -2.208 4.569 -1.287 369 HG22 VAL 579 HG22 VAL 579 -2.011 4.984 0.433 370 HG23 VAL 579 HG23 VAL 579 -3.636 4.935 -0.290 371 H ASP 580 H ASP 580 -4.917 9.394 -1.308 372 HA ASP 580 HA ASP 580 -3.862 10.532 -3.707 373 HB2 ASP 580 HB2 ASP 580 -6.181 11.003 -3.118 374 HB3 ASP 580 HB3 ASP 580 -5.722 11.555 -1.519 375 HD2 ASP 580 HD ASP 580 -4.024 14.320 -3.161 376 H ILE 581 H ILE 581 -2.538 12.523 -3.723 377 HA ILE 581 HA ILE 581 -1.309 13.148 -1.134 378 HB ILE 581 HB ILE 581 0.824 13.487 -2.483 379 HG12 ILE 581 HG11 ILE 581 -0.851 11.994 -4.490 380 HG13 ILE 581 HG12 ILE 581 0.150 13.413 -4.724 381 HG21 ILE 581 HG21 ILE 581 0.185 11.587 -0.852 382 HG22 ILE 581 HG22 ILE 581 0.009 10.594 -2.319 383 HG23 ILE 581 HG23 ILE 581 1.574 11.353 -1.941 384 HD11 ILE 581 HD11 ILE 581 0.966 10.522 -4.509 385 HD12 ILE 581 HD12 ILE 581 1.547 11.784 -5.623 386 HD13 ILE 581 HD13 ILE 581 2.107 11.762 -3.933 387 H GLY 582 H GLY 582 -2.382 14.126 -4.391 388 HA2 GLY 582 HA2 GLY 582 -3.248 16.151 -4.988 389 HA3 GLY 582 HA3 GLY 582 -2.786 16.825 -3.438 390 H SER 583 H SER 583 -0.080 16.500 -3.225 391 HA SER 583 HA SER 583 0.955 17.635 -5.700 392 HB2 SER 583 HB2 SER 583 0.874 18.820 -2.989 393 HB3 SER 583 HB3 SER 583 2.475 18.840 -3.702 394 HG SER 583 HG SER 583 0.359 19.629 -5.413 395 H ALA 584 H ALA 584 1.673 16.110 -2.494 396 HA ALA 584 HA ALA 584 4.267 15.538 -2.635 397 HB1 ALA 584 HB1 ALA 584 2.015 14.562 -1.264 398 HB2 ALA 584 HB2 ALA 584 2.791 13.117 -1.955 399 HB3 ALA 584 HB3 ALA 584 3.722 14.209 -0.902 400 H SER 585 H SER 585 5.687 14.148 -3.711 401 HA SER 585 HA SER 585 4.474 12.802 -5.996 402 HB2 SER 585 HB2 SER 585 6.655 13.101 -7.142 403 HB3 SER 585 HB3 SER 585 5.962 14.638 -6.665 404 HG SER 585 HG SER 585 7.541 14.965 -5.204 405 H GLN 586 H GLN 586 5.433 12.146 -2.962 406 HA GLN 586 HA GLN 586 6.314 9.511 -3.722 407 HB2 GLN 586 HB2 GLN 586 7.983 11.490 -2.188 408 HB3 GLN 586 HB3 GLN 586 8.044 9.813 -1.683 409 HG2 GLN 586 HG2 GLN 586 8.606 9.137 -4.035 410 HG3 GLN 586 HG3 GLN 586 8.574 10.821 -4.519 411 HE21 GLN 586 HE12 GLN 586 9.968 12.313 -3.213 412 HE22 GLN 586 HE22 GLN 586 11.554 11.771 -2.777 413 H LEU 587 H LEU 587 5.595 7.906 -2.278 414 HA LEU 587 HA LEU 587 4.579 8.737 0.297 415 HB2 LEU 587 HB2 LEU 587 2.767 9.095 -1.463 416 HB3 LEU 587 HB3 LEU 587 2.720 7.351 -1.626 417 HG LEU 587 HG LEU 587 2.493 8.329 1.154 418 HD11 LEU 587 HD11 LEU 587 0.228 9.121 0.985 419 HD12 LEU 587 HD12 LEU 587 1.259 10.088 -0.096 420 HD13 LEU 587 HD13 LEU 587 0.205 8.822 -0.769 421 HD21 LEU 587 HD21 LEU 587 0.411 6.693 0.810 422 HD22 LEU 587 HD22 LEU 587 1.404 6.158 -0.567 423 HD23 LEU 587 HD23 LEU 587 2.067 6.100 1.084 424 H GLU 588 H GLU 588 4.821 7.127 1.812 425 HA GLU 588 HA GLU 588 5.948 4.673 0.753 426 HB2 GLU 588 HB2 GLU 588 6.675 4.346 3.185 427 HB3 GLU 588 HB3 GLU 588 7.409 5.695 2.342 428 HG2 GLU 588 HG2 GLU 588 4.868 6.436 3.659 429 HG3 GLU 588 HG3 GLU 588 6.056 5.825 4.793 430 HE2 GLU 588 HE GLU 588 6.043 9.217 2.995 431 H ALA 589 H ALA 589 5.129 2.598 1.337 432 HA ALA 589 HA ALA 589 2.609 2.641 2.838 433 HB1 ALA 589 HB1 ALA 589 2.791 2.347 0.072 434 HB2 ALA 589 HB2 ALA 589 2.698 0.671 0.665 435 HB3 ALA 589 HB3 ALA 589 1.424 1.838 1.093 436 H ALA 590 H ALA 590 2.427 1.011 4.344 437 HA ALA 590 HA ALA 590 4.565 -1.009 4.282 438 HB1 ALA 590 HB1 ALA 590 5.158 -0.313 6.332 439 HB2 ALA 590 HB2 ALA 590 3.926 0.968 6.250 440 HB3 ALA 590 HB3 ALA 590 3.509 -0.625 6.925 441 H PHE 591 H PHE 591 3.948 -3.107 5.324 442 HA PHE 591 HA PHE 591 1.067 -3.574 4.989 443 HB2 PHE 591 HB2 PHE 591 3.199 -5.723 4.736 444 HB3 PHE 591 HB3 PHE 591 1.663 -5.617 3.898 445 HD1 PHE 591 HD2 PHE 591 1.923 -2.801 2.840 446 HD2 PHE 591 HD1 PHE 591 4.672 -6.032 2.933 447 HE1 PHE 591 HE2 PHE 591 3.088 -1.868 0.822 448 HE2 PHE 591 HE1 PHE 591 5.837 -5.100 0.915 449 HZ PHE 591 HZ PHE 591 5.031 -3.029 -0.116 450 H ASN 592 H ASN 592 -0.004 -4.390 6.736 451 HA ASN 592 HA ASN 592 1.531 -5.901 8.651 452 HB2 ASN 592 HB2 ASN 592 0.712 -4.575 10.568 453 HB3 ASN 592 HB3 ASN 592 1.582 -3.521 9.470 454 HD21 ASN 592 HD21 ASN 592 -1.266 -4.061 11.153 455 HD22 ASN 592 HD22 ASN 592 -2.287 -2.867 10.425 456 H ASP 593 H ASP 593 0.204 -7.521 9.631 457 HA ASP 593 HA ASP 593 -2.300 -7.928 8.403 458 HB2 ASP 593 HB2 ASP 593 -2.392 -9.955 9.815 459 HB3 ASP 593 HB3 ASP 593 -0.820 -9.800 9.055 460 HD2 ASP 593 HD ASP 593 -0.480 -11.051 12.171 461 H GLY 594 H GLY 594 -1.063 -6.557 11.442 462 HA2 GLY 594 HA2 GLY 594 -2.405 -5.007 12.645 463 HA3 GLY 594 HA3 GLY 594 -3.830 -5.953 12.266 464 H ASN 595 H ASN 595 -0.566 -6.972 13.490 465 HA ASN 595 HA ASN 595 -1.627 -7.477 16.068 466 HB2 ASN 595 HB2 ASN 595 -2.244 -9.507 14.434 467 HB3 ASN 595 HB3 ASN 595 -0.562 -9.947 14.659 468 HD21 ASN 595 HD21 ASN 595 -0.135 -11.258 16.251 469 HD22 ASN 595 HD22 ASN 595 -1.048 -11.484 17.705 470 H ASN 596 H ASN 596 0.891 -8.054 13.545 471 HA ASN 596 HA ASN 596 2.903 -6.849 14.903 472 HB2 ASN 596 HB2 ASN 596 2.463 -9.653 15.773 473 HB3 ASN 596 HB3 ASN 596 4.099 -9.374 15.209 474 HD21 ASN 596 HD21 ASN 596 2.846 -9.824 17.900 475 HD22 ASN 596 HD22 ASN 596 3.440 -8.555 18.918 476 H ASN 597 H ASN 597 1.727 -9.421 12.744 477 HA ASN 597 HA ASN 597 4.020 -9.946 11.337 478 HB2 ASN 597 HB2 ASN 597 1.298 -10.650 11.183 479 HB3 ASN 597 HB3 ASN 597 1.579 -9.832 9.658 480 HD21 ASN 597 HD21 ASN 597 2.749 -10.765 8.091 481 HD22 ASN 597 HD22 ASN 597 3.466 -12.339 8.174 482 H TRP 598 H TRP 598 5.185 -7.942 10.924 483 HA TRP 598 HA TRP 598 3.825 -6.117 9.061 484 HB2 TRP 598 HB2 TRP 598 5.818 -5.644 11.254 485 HB3 TRP 598 HB3 TRP 598 5.732 -4.548 9.889 486 HD1 TRP 598 HD TRP 598 2.920 -6.117 12.133 487 HE1 TRP 598 HE1 TRP 598 1.237 -4.248 12.930 488 HE3 TRP 598 HE3 TRP 598 5.301 -2.256 9.836 489 HZ2 TRP 598 HZ2 TRP 598 1.093 -1.428 12.519 490 HZ3 TRP 598 HZ3 TRP 598 4.324 0.023 10.084 491 HH2 TRP 598 HH TRP 598 2.293 0.469 11.370 492 H ASP 599 H ASP 599 5.023 -5.469 7.176 493 HA ASP 599 HA ASP 599 7.347 -7.166 6.704 494 HB2 ASP 599 HB2 ASP 599 5.112 -6.242 4.858 495 HB3 ASP 599 HB3 ASP 599 6.646 -6.784 4.208 496 HD2 ASP 599 HD ASP 599 6.108 -10.113 5.038 497 H SER 600 H SER 600 6.731 -4.213 7.704 498 HA SER 600 HA SER 600 7.611 -2.519 5.669 499 HB2 SER 600 HB2 SER 600 7.872 -0.851 7.498 500 HB3 SER 600 HB3 SER 600 6.333 -1.684 7.583 501 HG SER 600 HG SER 600 7.252 -1.603 9.679 502 H ASN 601 H ASN 601 9.374 -2.720 8.801 503 HA ASN 601 HA ASN 601 11.590 -4.049 8.021 504 HB2 ASN 601 HB2 ASN 601 11.476 -1.644 6.549 505 HB3 ASN 601 HB3 ASN 601 12.573 -1.261 7.861 506 HD21 ASN 601 HD21 ASN 601 14.573 -1.451 7.225 507 HD22 ASN 601 HD22 ASN 601 15.260 -2.725 6.274 508 H ASN 602 H ASN 602 10.924 -0.704 9.334 509 HA ASN 602 HA ASN 602 10.807 -1.278 11.934 510 HB2 ASN 602 HB2 ASN 602 13.513 -1.738 11.024 511 HB3 ASN 602 HB3 ASN 602 13.541 -0.306 12.034 512 HD21 ASN 602 HD21 ASN 602 14.276 -0.903 13.931 513 HD22 ASN 602 HD22 ASN 602 13.703 -2.215 14.906 514 H THR 603 H THR 603 12.433 0.762 9.449 515 HA THR 603 HA THR 603 10.955 3.049 10.049 516 HB THR 603 HB THR 603 12.637 2.719 12.109 517 HG1 THR 603 HG1 THR 603 11.989 4.837 12.294 518 HG21 THR 603 HG21 THR 603 14.332 4.558 10.427 519 HG22 THR 603 HG22 THR 603 14.799 3.557 11.823 520 HG23 THR 603 HG23 THR 603 14.585 2.808 10.222 521 H LYS 604 H LYS 604 11.730 1.441 7.792 522 HA LYS 604 HA LYS 604 12.722 3.585 6.161 523 HB2 LYS 604 HB2 LYS 604 14.483 1.385 7.001 524 HB3 LYS 604 HB3 LYS 604 14.385 1.573 5.262 525 HG2 LYS 604 HG2 LYS 604 14.666 4.108 6.838 526 HG3 LYS 604 HG3 LYS 604 16.059 3.045 6.844 527 HD2 LYS 604 HD2 LYS 604 15.726 2.943 4.239 528 HD3 LYS 604 HD3 LYS 604 14.708 4.353 4.457 529 HE2 LYS 604 HE2 LYS 604 16.841 5.294 4.039 530 HE3 LYS 604 HE3 LYS 604 16.711 5.375 5.785 531 HZ2 LYS 604 HZ2 LYS 604 18.340 3.827 6.028 532 HZ3 LYS 604 HZ3 LYS 604 17.850 2.904 4.779 533 H ASN 605 H ASN 605 10.225 2.899 6.012 534 HA ASN 605 HA ASN 605 9.550 0.574 4.734 535 HB2 ASN 605 HB2 ASN 605 8.184 3.253 4.203 536 HB3 ASN 605 HB3 ASN 605 7.440 1.666 4.235 537 HD21 ASN 605 HD21 ASN 605 8.679 4.322 6.080 538 HD22 ASN 605 HD22 ASN 605 8.103 3.847 7.642 539 H TYR 606 H TYR 606 8.062 1.669 2.387 540 HA TYR 606 HA TYR 606 10.347 1.987 0.573 541 HB2 TYR 606 HB2 TYR 606 7.398 1.259 0.068 542 HB3 TYR 606 HB3 TYR 606 8.717 1.038 -1.064 543 HD1 TYR 606 HD1 TYR 606 10.796 -0.338 0.310 544 HD2 TYR 606 HD2 TYR 606 6.570 -0.768 0.815 545 HE1 TYR 606 HE1 TYR 606 11.133 -2.705 1.174 546 HE2 TYR 606 HE2 TYR 606 6.921 -3.134 1.677 547 HH TYR 606 HH TYR 606 8.965 -4.932 1.215 548 H LEU 607 H LEU 607 9.956 3.367 -1.396 549 HA LEU 607 HA LEU 607 8.085 5.545 -0.812 550 HB2 LEU 607 HB2 LEU 607 11.029 5.695 -1.342 551 HB3 LEU 607 HB3 LEU 607 9.982 6.996 -1.876 552 HG LEU 607 HG LEU 607 9.712 6.120 0.962 553 HD11 LEU 607 HD11 LEU 607 12.262 6.460 0.048 554 HD12 LEU 607 HD12 LEU 607 11.845 8.110 0.571 555 HD13 LEU 607 HD13 LEU 607 11.724 6.754 1.719 556 HD21 LEU 607 HD21 LEU 607 9.139 8.370 1.357 557 HD22 LEU 607 HD22 LEU 607 9.863 8.914 -0.175 558 HD23 LEU 607 HD23 LEU 607 8.367 7.949 -0.191 559 H PHE 608 H PHE 608 6.677 5.809 -2.455 560 HA PHE 608 HA PHE 608 7.658 5.324 -5.155 561 HB2 PHE 608 HB2 PHE 608 5.171 4.144 -3.780 562 HB3 PHE 608 HB3 PHE 608 5.415 4.076 -5.514 563 HD1 PHE 608 HD2 PHE 608 8.174 3.326 -5.849 564 HD2 PHE 608 HD1 PHE 608 5.404 2.023 -2.911 565 HE1 PHE 608 HE2 PHE 608 9.461 1.188 -5.584 566 HE2 PHE 608 HE1 PHE 608 6.691 -0.116 -2.646 567 HZ PHE 608 HZ PHE 608 8.705 -0.507 -3.986 568 H SER 609 H SER 609 6.242 6.292 -6.834 569 HA SER 609 HA SER 609 4.759 8.518 -5.674 570 HB2 SER 609 HB2 SER 609 6.825 9.016 -7.089 571 HB3 SER 609 HB3 SER 609 5.970 8.349 -8.466 572 HG SER 609 HG SER 609 5.029 10.247 -8.704 573 H THR 610 H THR 610 2.890 9.319 -7.147 574 HA THR 610 HA THR 610 0.932 7.497 -7.391 575 HB THR 610 HB THR 610 -0.071 9.141 -9.017 576 HG1 THR 610 HG1 THR 610 1.733 9.729 -10.272 577 HG21 THR 610 HG21 THR 610 1.110 11.253 -7.548 578 HG22 THR 610 HG22 THR 610 -0.401 10.407 -7.137 579 HG23 THR 610 HG23 THR 610 1.142 9.864 -6.436 580 H GLY 611 H GLY 611 -0.144 6.441 -9.234 581 HA2 GLY 611 HA2 GLY 611 0.299 5.831 -11.627 582 HA3 GLY 611 HA3 GLY 611 1.888 5.338 -11.077 583 H THR 612 H THR 612 1.853 3.115 -11.306 584 HA THR 612 HA THR 612 -0.237 1.719 -9.774 585 HB THR 612 HB THR 612 0.957 0.918 -12.481 586 HG1 THR 612 HG1 THR 612 -1.658 1.902 -11.573 587 HG21 THR 612 HG21 THR 612 0.177 -1.120 -11.567 588 HG22 THR 612 HG22 THR 612 -1.060 -0.310 -10.575 589 HG23 THR 612 HG23 THR 612 -1.303 -0.490 -12.329 590 H SER 613 H SER 613 0.451 0.255 -8.316 591 HA SER 613 HA SER 613 3.148 -0.737 -8.638 592 HB2 SER 613 HB2 SER 613 3.407 -0.336 -6.059 593 HB3 SER 613 HB3 SER 613 3.701 0.994 -7.161 594 HG SER 613 HG SER 613 1.347 1.555 -6.795 595 H THR 614 H THR 614 3.553 -2.681 -7.210 596 HA THR 614 HA THR 614 1.076 -3.892 -6.209 597 HB THR 614 HB THR 614 3.097 -5.362 -7.970 598 HG1 THR 614 HG1 THR 614 2.032 -4.319 -9.603 599 HG21 THR 614 HG21 THR 614 0.200 -5.872 -7.115 600 HG22 THR 614 HG22 THR 614 1.039 -6.802 -8.380 601 HG23 THR 614 HG23 THR 614 1.619 -6.863 -6.698 602 H TYR 615 H TYR 615 1.352 -4.283 -4.111 603 HA TYR 615 HA TYR 615 4.079 -4.799 -3.186 604 HB2 TYR 615 HB2 TYR 615 3.264 -3.407 -1.514 605 HB3 TYR 615 HB3 TYR 615 1.712 -3.352 -2.326 606 HD1 TYR 615 HD1 TYR 615 3.655 -5.771 -0.200 607 HD2 TYR 615 HD2 TYR 615 -0.130 -3.978 -1.073 608 HE1 TYR 615 HE1 TYR 615 2.596 -7.055 1.722 609 HE2 TYR 615 HE2 TYR 615 -1.177 -5.267 0.853 610 HH TYR 615 HH TYR 615 0.814 -7.179 3.034 611 H THR 616 H THR 616 4.683 -6.895 -2.993 612 HA THR 616 HA THR 616 2.591 -8.807 -2.182 613 HB THR 616 HB THR 616 5.036 -9.236 -3.979 614 HG1 THR 616 HG1 THR 616 3.399 -8.060 -5.086 615 HG21 THR 616 HG21 THR 616 3.940 -11.229 -2.592 616 HG22 THR 616 HG22 THR 616 2.605 -11.039 -3.754 617 HG23 THR 616 HG23 THR 616 4.241 -11.437 -4.334 618 HA PRO 617 HA PRO 617 5.262 -9.071 1.264 619 HB2 PRO 617 HB2 PRO 617 3.483 -10.303 2.934 620 HB3 PRO 617 HB3 PRO 617 3.589 -8.562 2.763 621 HG2 PRO 617 HG2 PRO 617 1.546 -10.409 1.689 622 HG3 PRO 617 HG3 PRO 617 1.454 -8.671 1.897 623 HD2 PRO 617 HD2 PRO 617 1.878 -10.084 -0.563 624 HD3 PRO 617 HD3 PRO 617 1.902 -8.347 -0.334 625 H GLY 618 H GLY 618 5.592 -11.034 3.002 626 HA2 GLY 618 HA2 GLY 618 6.372 -13.225 1.209 627 HA3 GLY 618 HA3 GLY 618 7.015 -12.883 2.803 628 H SER 619 H SER 619 6.623 -15.128 3.415 629 HA SER 619 HA SER 619 3.806 -15.799 3.614 630 HB2 SER 619 HB2 SER 619 4.734 -18.109 4.208 631 HB3 SER 619 HB3 SER 619 5.040 -17.558 2.572 632 HG SER 619 HG SER 619 6.984 -18.396 3.403 633 H ASN 620 H ASN 620 6.660 -14.863 5.446 634 HA ASN 620 HA ASN 620 5.079 -15.187 7.867 635 HB2 ASN 620 HB2 ASN 620 7.194 -16.802 7.437 636 HB3 ASN 620 HB3 ASN 620 8.100 -15.401 7.975 637 HD21 ASN 620 HD21 ASN 620 8.719 -16.857 9.708 638 HD22 ASN 620 HD22 ASN 620 7.724 -17.000 11.118 639 H GLY 621 H GLY 621 7.651 -14.088 9.280 640 HA2 GLY 621 HA2 GLY 621 7.012 -11.295 8.943 641 HA3 GLY 621 HA3 GLY 621 8.136 -12.012 10.080 642 H ALA 622 H ALA 622 8.077 -12.490 6.502 643 HA ALA 622 HA ALA 622 10.737 -11.242 6.435 644 HB1 ALA 622 HB1 ALA 622 11.245 -12.759 4.609 645 HB2 ALA 622 HB2 ALA 622 10.615 -13.709 5.976 646 HB3 ALA 622 HB3 ALA 622 9.568 -13.354 4.581 647 H ALA 623 H ALA 623 10.413 -9.141 5.808 648 HA ALA 623 HA ALA 623 8.345 -8.054 4.497 649 HB1 ALA 623 HB1 ALA 623 10.059 -6.647 5.338 650 HB2 ALA 623 HB2 ALA 623 11.317 -7.464 4.379 651 HB3 ALA 623 HB3 ALA 623 10.118 -6.424 3.573 652 H GLY 624 H GLY 624 7.668 -7.701 2.342 653 HA2 GLY 624 HA2 GLY 624 8.657 -9.720 0.463 654 HA3 GLY 624 HA3 GLY 624 7.151 -8.830 0.371 655 H THR 625 H THR 625 7.299 -7.837 -1.634 656 HA THR 625 HA THR 625 9.221 -5.689 -1.840 657 HB THR 625 HB THR 625 9.915 -6.601 -4.166 658 HG1 THR 625 HG1 THR 625 9.440 -8.874 -4.391 659 HG21 THR 625 HG21 THR 625 10.671 -8.461 -1.862 660 HG22 THR 625 HG22 THR 625 11.646 -8.054 -3.294 661 HG23 THR 625 HG23 THR 625 11.364 -6.830 -2.033 662 H ILE 626 H ILE 626 8.749 -4.257 -3.713 663 HA ILE 626 HA ILE 626 5.916 -4.508 -4.452 664 HB ILE 626 HB ILE 626 7.078 -1.806 -4.330 665 HG12 ILE 626 HG11 ILE 626 6.485 -1.879 -1.755 666 HG13 ILE 626 HG12 ILE 626 6.929 -3.567 -1.907 667 HG21 ILE 626 HG21 ILE 626 4.495 -3.141 -4.154 668 HG22 ILE 626 HG22 ILE 626 4.711 -1.912 -2.885 669 HG23 ILE 626 HG23 ILE 626 4.895 -1.464 -4.598 670 HD11 ILE 626 HD11 ILE 626 8.640 -1.146 -2.035 671 HD12 ILE 626 HD12 ILE 626 9.059 -2.811 -1.566 672 HD13 ILE 626 HD13 ILE 626 8.994 -2.360 -3.287 673 H ARG 627 H ARG 627 5.511 -4.569 -6.604 674 HA ARG 627 HA ARG 627 7.736 -3.769 -8.303 675 HB2 ARG 627 HB2 ARG 627 6.863 -6.274 -8.196 676 HB3 ARG 627 HB3 ARG 627 5.546 -5.681 -9.189 677 HG2 ARG 627 HG2 ARG 627 6.920 -6.052 -10.967 678 HG3 ARG 627 HG3 ARG 627 7.757 -4.593 -10.477 679 HD2 ARG 627 HD1 ARG 627 9.464 -5.799 -9.331 680 HD3 ARG 627 HD2 ARG 627 8.490 -7.250 -9.204 681 HE ARG 627 HE ARG 627 8.940 -6.567 -11.982 682 HH11 ARG 627 HH22 ARG 627 10.526 -8.025 -9.169 683 HH12 ARG 627 HH21 ARG 627 11.611 -8.982 -10.121 684 HH22 ARG 627 HH1 ARG 627 11.502 -8.851 -12.512 685 H THR 628 H THR 628 7.330 -2.149 -9.810 686 HA THR 628 HA THR 628 4.749 -0.897 -9.755 687 HB THR 628 HB THR 628 6.560 0.093 -11.806 688 HG1 THR 628 HG1 THR 628 7.607 -0.295 -9.097 689 HG21 THR 628 HG21 THR 628 5.324 1.771 -10.679 690 HG22 THR 628 HG22 THR 628 5.551 1.001 -9.090 691 HG23 THR 628 HG23 THR 628 6.900 1.874 -9.858 692 H GLY 629 H GLY 629 3.274 -0.616 -11.465 693 HA2 GLY 629 HA2 GLY 629 2.738 -1.012 -13.780 694 HA3 GLY 629 HA3 GLY 629 3.632 -2.517 -13.701 695 H ALA 630 H ALA 630 0.665 -1.746 -14.250 696 HA ALA 630 HA ALA 630 -0.891 -2.710 -12.141 697 HB1 ALA 630 HB1 ALA 630 -2.042 -3.253 -14.749 698 HB2 ALA 630 HB2 ALA 630 -2.507 -2.026 -13.546 699 HB3 ALA 630 HB3 ALA 630 -1.243 -1.662 -14.745 700 HA PRO 631 HA PRO 631 0.185 -6.931 -12.524 701 HB2 PRO 631 HB2 PRO 631 -1.184 -7.834 -10.338 702 HB3 PRO 631 HB3 PRO 631 0.436 -7.171 -10.247 703 HG2 PRO 631 HG2 PRO 631 -2.124 -5.924 -9.453 704 HG3 PRO 631 HG3 PRO 631 -0.494 -5.474 -8.992 705 HD2 PRO 631 HD2 PRO 631 -2.160 -4.151 -10.916 706 HD3 PRO 631 HD3 PRO 631 -0.490 -3.773 -10.539 707 H SER 632 H SER 632 -1.138 -9.157 -12.238 708 HA SER 632 HA SER 632 -2.482 -10.375 -13.477 709 HB2 SER 632 HB2 SER 632 -4.619 -8.462 -12.444 710 HB3 SER 632 HB3 SER 632 -4.846 -10.143 -12.886 711 HG SER 632 HG SER 632 -4.109 -10.774 -10.969 712 H GLY 633 H GLY 633 -1.318 -8.035 -14.916 713 HA2 GLY 633 HA2 GLY 633 -3.139 -8.052 -17.183 714 HA3 GLY 633 HA3 GLY 633 -2.845 -6.486 -16.455 Start of MODEL 17 1 H1 GLY 530 H GLY 530 -0.798 22.118 -10.647 2 HA2 GLY 530 HA2 GLY 530 1.143 22.886 -8.593 3 HA3 GLY 530 HA3 GLY 530 -0.036 24.083 -9.092 4 H GLY 531 H GLY 531 -2.125 24.008 -8.276 5 HA2 GLY 531 HA2 GLY 531 -2.627 22.223 -6.102 6 HA3 GLY 531 HA3 GLY 531 -3.699 23.447 -6.754 7 H THR 532 H THR 532 -2.902 20.057 -6.660 8 HA THR 532 HA THR 532 -5.293 19.472 -8.194 9 HB THR 532 HB THR 532 -3.882 17.780 -9.568 10 HG1 THR 532 HG1 THR 532 -1.882 19.700 -8.600 11 HG21 THR 532 HG21 THR 532 -4.596 20.307 -10.250 12 HG22 THR 532 HG22 THR 532 -2.832 20.539 -10.178 13 HG23 THR 532 HG23 THR 532 -3.526 19.328 -11.282 14 H THR 533 H THR 533 -5.549 16.916 -8.220 15 HA THR 533 HA THR 533 -4.608 15.892 -5.633 16 HB THR 533 HB THR 533 -7.234 16.837 -6.198 17 HG1 THR 533 HG1 THR 533 -6.111 16.578 -4.122 18 HG21 THR 533 HG21 THR 533 -7.041 13.782 -6.071 19 HG22 THR 533 HG22 THR 533 -8.524 14.704 -5.725 20 HG23 THR 533 HG23 THR 533 -7.815 14.738 -7.357 21 H ASN 534 H ASN 534 -3.324 14.222 -6.109 22 HA ASN 534 HA ASN 534 -4.068 12.634 -8.416 23 HB2 ASN 534 HB2 ASN 534 -1.559 13.491 -7.241 24 HB3 ASN 534 HB3 ASN 534 -1.602 11.739 -7.189 25 HD21 ASN 534 HD21 ASN 534 0.060 13.491 -8.778 26 HD22 ASN 534 HD22 ASN 534 -0.210 13.113 -10.447 27 H LYS 535 H LYS 535 -3.278 10.126 -7.968 28 HA LYS 535 HA LYS 535 -3.909 9.326 -5.252 29 HB2 LYS 535 HB2 LYS 535 -5.568 8.466 -7.640 30 HB3 LYS 535 HB3 LYS 535 -5.615 7.690 -6.070 31 HG2 LYS 535 HG2 LYS 535 -7.337 9.206 -5.754 32 HG3 LYS 535 HG3 LYS 535 -6.005 10.210 -5.215 33 HD2 LYS 535 HD2 LYS 535 -6.898 11.687 -6.745 34 HD3 LYS 535 HD3 LYS 535 -5.881 10.793 -7.857 35 HE2 LYS 535 HE2 LYS 535 -7.681 9.622 -8.796 36 HE3 LYS 535 HE3 LYS 535 -8.646 9.711 -7.335 37 HZ2 LYS 535 HZ2 LYS 535 -8.030 12.204 -8.776 38 HZ3 LYS 535 HZ3 LYS 535 -9.219 11.246 -9.340 39 H VAL 536 H VAL 536 -3.164 7.169 -4.761 40 HA VAL 536 HA VAL 536 -1.337 6.140 -6.822 41 HB VAL 536 HB VAL 536 -0.746 5.539 -4.004 42 HG11 VAL 536 HG11 VAL 536 0.576 5.487 -6.468 43 HG12 VAL 536 HG12 VAL 536 1.340 6.823 -5.575 44 HG13 VAL 536 HG13 VAL 536 1.289 5.192 -4.864 45 HG21 VAL 536 HG21 VAL 536 -0.901 8.366 -4.998 46 HG22 VAL 536 HG22 VAL 536 -1.270 7.699 -3.390 47 HG23 VAL 536 HG23 VAL 536 0.422 7.903 -3.901 48 H THR 537 H THR 537 -1.897 4.166 -7.570 49 HA THR 537 HA THR 537 -3.707 2.571 -5.893 50 HB THR 537 HB THR 537 -3.133 2.658 -8.899 51 HG1 THR 537 HG1 THR 537 -4.527 4.326 -8.030 52 HG21 THR 537 HG21 THR 537 -4.610 0.679 -7.176 53 HG22 THR 537 HG22 THR 537 -5.435 1.230 -8.654 54 HG23 THR 537 HG23 THR 537 -3.844 0.440 -8.765 55 H VAL 538 H VAL 538 -2.965 0.846 -4.841 56 HA VAL 538 HA VAL 538 -0.574 -0.444 -5.956 57 HB VAL 538 HB VAL 538 -1.048 -0.315 -3.006 58 HG11 VAL 538 HG11 VAL 538 1.469 -0.392 -4.705 59 HG12 VAL 538 HG12 VAL 538 1.396 -0.483 -2.929 60 HG13 VAL 538 HG13 VAL 538 0.699 -1.790 -3.917 61 HG21 VAL 538 HG21 VAL 538 0.240 1.897 -4.642 62 HG22 VAL 538 HG22 VAL 538 -1.250 2.016 -3.676 63 HG23 VAL 538 HG23 VAL 538 0.314 1.751 -2.869 64 H TYR 539 H TYR 539 -0.735 -2.637 -6.195 65 HA TYR 539 HA TYR 539 -3.211 -3.839 -5.172 66 HB2 TYR 539 HB2 TYR 539 -1.401 -4.030 -7.581 67 HB3 TYR 539 HB3 TYR 539 -2.034 -5.566 -7.025 68 HD1 TYR 539 HD2 TYR 539 -3.308 -2.095 -7.709 69 HD2 TYR 539 HD1 TYR 539 -3.997 -6.307 -8.006 70 HE1 TYR 539 HE2 TYR 539 -5.479 -1.659 -8.957 71 HE2 TYR 539 HE1 TYR 539 -6.166 -5.857 -9.253 72 HH TYR 539 HH TYR 539 -7.816 -3.408 -9.168 73 H TYR 540 H TYR 540 -3.120 -5.423 -3.647 74 HA TYR 540 HA TYR 540 -0.465 -6.585 -3.132 75 HB2 TYR 540 HB2 TYR 540 -1.101 -5.181 -1.258 76 HB3 TYR 540 HB3 TYR 540 -2.799 -5.579 -1.434 77 HD1 TYR 540 HD1 TYR 540 0.160 -7.864 -1.182 78 HD2 TYR 540 HD2 TYR 540 -3.447 -6.452 0.637 79 HE1 TYR 540 HE1 TYR 540 0.380 -9.625 0.639 80 HE2 TYR 540 HE2 TYR 540 -3.214 -8.218 2.451 81 HH TYR 540 HH TYR 540 -0.359 -9.921 2.952 82 H LYS 541 H LYS 541 -0.318 -8.814 -2.868 83 HA LYS 541 HA LYS 541 -2.705 -10.269 -3.668 84 HB2 LYS 541 HB2 LYS 541 -0.311 -10.487 -4.692 85 HB3 LYS 541 HB3 LYS 541 0.026 -11.476 -3.286 86 HG2 LYS 541 HG2 LYS 541 -2.407 -12.517 -4.088 87 HG3 LYS 541 HG3 LYS 541 -1.721 -12.050 -5.631 88 HD2 LYS 541 HD2 LYS 541 0.405 -13.285 -4.184 89 HD3 LYS 541 HD3 LYS 541 -1.002 -14.293 -3.911 90 HE2 LYS 541 HE2 LYS 541 -1.325 -14.689 -6.251 91 HE3 LYS 541 HE3 LYS 541 -0.315 -13.333 -6.712 92 HZ2 LYS 541 HZ2 LYS 541 0.556 -15.880 -6.566 93 HZ3 LYS 541 HZ3 LYS 541 1.545 -14.588 -6.492 94 H LYS 542 H LYS 542 -4.062 -10.946 -2.102 95 HA LYS 542 HA LYS 542 -2.870 -11.574 0.501 96 HB2 LYS 542 HB2 LYS 542 -4.640 -10.607 1.474 97 HB3 LYS 542 HB3 LYS 542 -4.921 -9.864 -0.088 98 HG2 LYS 542 HG2 LYS 542 -7.002 -10.834 0.212 99 HG3 LYS 542 HG3 LYS 542 -6.200 -12.177 -0.578 100 HD2 LYS 542 HD2 LYS 542 -5.647 -12.271 2.279 101 HD3 LYS 542 HD3 LYS 542 -7.376 -12.134 2.028 102 HE2 LYS 542 HE2 LYS 542 -6.234 -14.034 0.122 103 HE3 LYS 542 HE3 LYS 542 -5.777 -14.473 1.755 104 HZ2 LYS 542 HZ2 LYS 542 -8.538 -13.713 1.580 105 HZ3 LYS 542 HZ3 LYS 542 -8.204 -14.979 0.611 106 H GLY 543 H GLY 543 -3.899 -14.894 0.718 107 HA2 GLY 543 HA2 GLY 543 -2.018 -13.558 1.823 108 HA3 GLY 543 HA3 GLY 543 -3.205 -12.269 1.866 109 H PHE 544 H PHE 544 -3.854 -12.067 3.977 110 HA PHE 544 HA PHE 544 -4.214 -14.484 5.539 111 HB2 PHE 544 HB2 PHE 544 -4.405 -11.463 6.093 112 HB3 PHE 544 HB3 PHE 544 -4.597 -12.678 7.341 113 HD1 PHE 544 HD2 PHE 544 -2.158 -11.524 4.772 114 HD2 PHE 544 HD1 PHE 544 -2.740 -13.398 8.534 115 HE1 PHE 544 HE2 PHE 544 0.322 -11.523 5.155 116 HE2 PHE 544 HE1 PHE 544 -0.259 -13.397 8.918 117 HZ PHE 544 HZ PHE 544 1.242 -12.460 7.224 118 H ASN 545 H ASN 545 -6.213 -13.683 7.331 119 HA ASN 545 HA ASN 545 -8.495 -13.943 5.586 120 HB2 ASN 545 HB2 ASN 545 -8.077 -14.300 8.593 121 HB3 ASN 545 HB3 ASN 545 -9.675 -14.348 7.875 122 HD21 ASN 545 HD21 ASN 545 -6.516 -15.851 8.012 123 HD22 ASN 545 HD22 ASN 545 -6.952 -17.399 7.372 124 H SER 546 H SER 546 -6.731 -11.423 6.685 125 HA SER 546 HA SER 546 -8.600 -9.513 6.315 126 HB2 SER 546 HB2 SER 546 -8.922 -8.698 8.742 127 HB3 SER 546 HB3 SER 546 -9.879 -10.074 8.231 128 HG SER 546 HG SER 546 -9.062 -10.956 10.020 129 HA PRO 547 HA PRO 547 -4.218 -8.376 6.987 130 HB2 PRO 547 HB2 PRO 547 -3.543 -7.816 4.399 131 HB3 PRO 547 HB3 PRO 547 -3.236 -9.366 5.155 132 HG2 PRO 547 HG2 PRO 547 -5.314 -8.647 3.179 133 HG3 PRO 547 HG3 PRO 547 -4.720 -10.236 3.619 134 HD2 PRO 547 HD2 PRO 547 -7.196 -9.042 4.437 135 HD3 PRO 547 HD3 PRO 547 -6.549 -10.581 4.969 136 H TYR 548 H TYR 548 -3.347 -6.349 7.335 137 HA TYR 548 HA TYR 548 -5.095 -4.210 6.321 138 HB2 TYR 548 HB2 TYR 548 -4.101 -5.055 9.022 139 HB3 TYR 548 HB3 TYR 548 -3.841 -3.351 8.704 140 HD1 TYR 548 HD2 TYR 548 -5.977 -2.067 7.738 141 HD2 TYR 548 HD1 TYR 548 -6.117 -5.709 9.978 142 HE1 TYR 548 HE2 TYR 548 -8.389 -1.586 8.383 143 HE2 TYR 548 HE1 TYR 548 -8.528 -5.217 10.615 144 HH TYR 548 HH TYR 548 -10.134 -2.265 9.448 145 H ILE 549 H ILE 549 -4.072 -2.205 5.794 146 HA ILE 549 HA ILE 549 -1.142 -2.356 5.719 147 HB ILE 549 HB ILE 549 -1.561 -2.772 3.525 148 HG12 ILE 549 HG11 ILE 549 -1.847 0.231 3.386 149 HG13 ILE 549 HG12 ILE 549 -0.362 -0.527 3.925 150 HG21 ILE 549 HG21 ILE 549 -3.468 -1.640 2.254 151 HG22 ILE 549 HG22 ILE 549 -3.903 -2.887 3.447 152 HG23 ILE 549 HG23 ILE 549 -4.093 -1.164 3.851 153 HD11 ILE 549 HD11 ILE 549 -0.414 -0.009 1.449 154 HD12 ILE 549 HD12 ILE 549 -0.113 -1.724 1.816 155 HD13 ILE 549 HD13 ILE 549 -1.727 -1.199 1.280 156 H HIS 550 H HIS 550 -0.036 -0.395 6.093 157 HA HIS 550 HA HIS 550 -1.773 1.850 6.795 158 HB2 HIS 550 HB2 HIS 550 -0.966 0.489 8.796 159 HB3 HIS 550 HB3 HIS 550 0.652 1.042 8.411 160 HD1 HIS 550 HD1 HIS 550 -1.526 3.786 7.596 161 HD2 HIS 550 HE2 HIS 550 0.049 2.218 11.154 162 HE1 HIS 550 HE1 HIS 550 -1.718 5.638 9.341 163 H TYR 551 H TYR 551 -1.284 3.551 5.512 164 HA TYR 551 HA TYR 551 1.541 3.876 4.762 165 HB2 TYR 551 HB2 TYR 551 0.141 4.975 2.677 166 HB3 TYR 551 HB3 TYR 551 0.579 3.278 2.687 167 HD1 TYR 551 HD2 TYR 551 -2.175 5.493 3.967 168 HD2 TYR 551 HD1 TYR 551 -1.092 1.737 2.229 169 HE1 TYR 551 HE2 TYR 551 -4.630 4.852 3.805 170 HE2 TYR 551 HE1 TYR 551 -3.551 1.109 2.073 171 HH TYR 551 HH TYR 551 -5.687 2.227 1.949 172 H ARG 552 H ARG 552 2.083 6.161 4.122 173 HA ARG 552 HA ARG 552 0.243 8.065 5.288 174 HB2 ARG 552 HB2 ARG 552 1.676 8.774 6.937 175 HB3 ARG 552 HB3 ARG 552 2.443 7.213 6.723 176 HG2 ARG 552 HG2 ARG 552 3.822 8.408 4.820 177 HG3 ARG 552 HG3 ARG 552 3.284 9.895 5.574 178 HD2 ARG 552 HD2 ARG 552 4.418 7.802 7.409 179 HD3 ARG 552 HD3 ARG 552 5.552 8.592 6.331 180 HE ARG 552 HE ARG 552 3.787 10.487 7.689 181 HH11 ARG 552 HH22 ARG 552 6.794 8.637 7.995 182 HH12 ARG 552 HH21 ARG 552 7.481 9.711 9.166 183 HH22 ARG 552 HH1 ARG 552 6.229 11.625 9.881 184 HA PRO 553 HA PRO 553 1.547 10.427 1.863 185 HB2 PRO 553 HB2 PRO 553 1.001 12.981 2.668 186 HB3 PRO 553 HB3 PRO 553 -0.226 11.881 2.073 187 HG2 PRO 553 HG2 PRO 553 0.310 12.730 4.853 188 HG3 PRO 553 HG3 PRO 553 -1.135 11.993 4.190 189 HD2 PRO 553 HD2 PRO 553 0.879 10.702 5.773 190 HD3 PRO 553 HD3 PRO 553 -0.505 9.940 5.013 191 H ALA 554 H ALA 554 3.391 11.063 0.898 192 HA ALA 554 HA ALA 554 5.735 11.012 1.426 193 HB1 ALA 554 HB1 ALA 554 4.533 12.903 -0.008 194 HB2 ALA 554 HB2 ALA 554 5.089 13.946 1.323 195 HB3 ALA 554 HB3 ALA 554 6.268 13.006 0.376 196 H GLY 555 H GLY 555 5.742 10.230 3.704 197 HA2 GLY 555 HA2 GLY 555 5.966 10.510 5.959 198 HA3 GLY 555 HA3 GLY 555 7.290 11.520 5.415 199 H GLY 556 H GLY 556 3.725 11.615 6.073 200 HA2 GLY 556 HA2 GLY 556 4.104 14.377 7.062 201 HA3 GLY 556 HA3 GLY 556 2.735 13.911 6.071 202 H SER 557 H SER 557 1.052 12.565 6.940 203 HA SER 557 HA SER 557 1.228 12.339 9.843 204 HB2 SER 557 HB2 SER 557 -1.500 12.194 8.928 205 HB3 SER 557 HB3 SER 557 -0.762 13.395 9.969 206 HG SER 557 HG SER 557 -1.700 14.266 7.959 207 H TRP 558 H TRP 558 0.679 10.339 10.804 208 HA TRP 558 HA TRP 558 0.528 8.121 8.934 209 HB2 TRP 558 HB2 TRP 558 1.307 8.481 11.785 210 HB3 TRP 558 HB3 TRP 558 0.655 6.924 11.313 211 HD1 TRP 558 HD TRP 558 3.867 8.823 11.292 212 HE1 TRP 558 HE1 TRP 558 5.790 7.589 9.972 213 HE3 TRP 558 HE3 TRP 558 0.847 5.404 9.046 214 HZ2 TRP 558 HZ2 TRP 558 5.831 5.370 8.177 215 HZ3 TRP 558 HZ3 TRP 558 1.909 3.738 7.525 216 HH2 TRP 558 HH TRP 558 4.311 3.686 7.077 217 H THR 559 H THR 559 -1.538 7.740 8.205 218 HA THR 559 HA THR 559 -3.880 8.544 9.315 219 HB THR 559 HB THR 559 -3.449 5.869 7.897 220 HG1 THR 559 HG1 THR 559 -3.012 7.156 6.097 221 HG21 THR 559 HG21 THR 559 -5.795 6.177 8.253 222 HG22 THR 559 HG22 THR 559 -5.676 7.942 8.055 223 HG23 THR 559 HG23 THR 559 -5.524 6.876 6.638 224 H ALA 560 H ALA 560 -5.678 7.082 10.240 225 HA ALA 560 HA ALA 560 -4.852 6.333 12.811 226 HB1 ALA 560 HB1 ALA 560 -7.292 5.242 12.649 227 HB2 ALA 560 HB2 ALA 560 -7.057 7.003 12.749 228 HB3 ALA 560 HB3 ALA 560 -7.361 6.233 11.173 229 H ALA 561 H ALA 561 -3.546 4.619 13.237 230 HA ALA 561 HA ALA 561 -3.451 2.382 11.471 231 HB1 ALA 561 HB1 ALA 561 -2.225 1.934 14.061 232 HB2 ALA 561 HB2 ALA 561 -1.452 2.144 12.471 233 HB3 ALA 561 HB3 ALA 561 -1.833 3.567 13.470 234 HA PRO 562 HA PRO 562 -3.273 0.554 11.257 235 HB2 PRO 562 HB2 PRO 562 -4.736 -1.351 9.953 236 HB3 PRO 562 HB3 PRO 562 -3.584 -1.728 11.219 237 HG2 PRO 562 HG2 PRO 562 -6.537 -1.707 11.347 238 HG3 PRO 562 HG3 PRO 562 -5.396 -2.473 12.435 239 HD2 PRO 562 HD2 PRO 562 -6.845 -0.041 12.900 240 HD3 PRO 562 HD3 PRO 562 -5.619 -0.745 13.936 241 H GLY 563 H GLY 563 -3.025 1.265 9.137 242 HA2 GLY 563 HA2 GLY 563 -4.427 3.422 8.348 243 HA3 GLY 563 HA3 GLY 563 -3.679 2.297 7.231 244 H VAL 564 H VAL 564 -4.952 0.949 5.948 245 HA VAL 564 HA VAL 564 -7.799 0.823 6.604 246 HB VAL 564 HB VAL 564 -6.928 1.289 3.778 247 HG11 VAL 564 HG11 VAL 564 -9.224 0.598 4.159 248 HG12 VAL 564 HG12 VAL 564 -9.455 1.904 5.346 249 HG13 VAL 564 HG13 VAL 564 -9.194 2.297 3.629 250 HG21 VAL 564 HG21 VAL 564 -7.479 3.516 5.768 251 HG22 VAL 564 HG22 VAL 564 -5.879 3.099 5.109 252 HG23 VAL 564 HG23 VAL 564 -7.159 3.697 4.026 253 H LYS 565 H LYS 565 -8.906 -0.982 5.443 254 HA LYS 565 HA LYS 565 -7.079 -3.224 5.282 255 HB2 LYS 565 HB2 LYS 565 -8.986 -3.578 6.658 256 HB3 LYS 565 HB3 LYS 565 -10.086 -2.962 5.441 257 HG2 LYS 565 HG2 LYS 565 -10.327 -5.058 4.618 258 HG3 LYS 565 HG3 LYS 565 -8.631 -5.067 4.176 259 HD2 LYS 565 HD2 LYS 565 -8.512 -6.831 5.638 260 HD3 LYS 565 HD3 LYS 565 -8.399 -5.574 6.854 261 HE2 LYS 565 HE2 LYS 565 -10.175 -6.767 7.749 262 HE3 LYS 565 HE3 LYS 565 -11.083 -5.676 6.721 263 HZ2 LYS 565 HZ2 LYS 565 -11.232 -8.365 6.574 264 HZ3 LYS 565 HZ3 LYS 565 -11.655 -7.374 5.353 265 H MET 566 H MET 566 -6.166 -3.800 3.392 266 HA MET 566 HA MET 566 -6.383 -2.688 1.052 267 HB2 MET 566 HB2 MET 566 -5.488 -5.204 2.055 268 HB3 MET 566 HB3 MET 566 -6.460 -5.610 0.655 269 HG2 MET 566 HG2 MET 566 -4.493 -5.207 -0.479 270 HG3 MET 566 HG3 MET 566 -5.041 -3.544 -0.412 271 HE1 MET 566 HE1 MET 566 -2.403 -3.634 -1.006 272 HE2 MET 566 HE2 MET 566 -2.734 -2.090 -0.186 273 HE3 MET 566 HE3 MET 566 -1.303 -3.047 0.264 274 H GLN 567 H GLN 567 -7.807 -2.409 -0.642 275 HA GLN 567 HA GLN 567 -10.405 -3.613 -0.270 276 HB2 GLN 567 HB2 GLN 567 -9.373 -1.122 -1.405 277 HB3 GLN 567 HB3 GLN 567 -10.470 -1.905 -2.525 278 HG2 GLN 567 HG2 GLN 567 -12.061 -2.197 -0.472 279 HG3 GLN 567 HG3 GLN 567 -11.029 -1.034 0.336 280 HE21 GLN 567 HE12 GLN 567 -13.473 -1.571 -2.003 281 HE22 GLN 567 HE22 GLN 567 -13.753 0.066 -2.494 282 H ASP 568 H ASP 568 -10.957 -5.450 -1.354 283 HA ASP 568 HA ASP 568 -9.357 -6.816 -2.992 284 HB2 ASP 568 HB2 ASP 568 -12.165 -7.010 -3.873 285 HB3 ASP 568 HB3 ASP 568 -11.140 -8.239 -3.159 286 HD2 ASP 568 HD ASP 568 -12.870 -5.510 -0.941 287 H ALA 569 H ALA 569 -8.815 -6.770 -5.221 288 HA ALA 569 HA ALA 569 -9.505 -4.397 -6.656 289 HB1 ALA 569 HB1 ALA 569 -8.173 -6.619 -8.089 290 HB2 ALA 569 HB2 ALA 569 -7.669 -4.924 -7.884 291 HB3 ALA 569 HB3 ALA 569 -7.356 -6.108 -6.592 292 H GLU 570 H GLU 570 -9.501 -5.822 -9.310 293 HA GLU 570 HA GLU 570 -12.198 -6.920 -9.140 294 HB2 GLU 570 HB2 GLU 570 -11.264 -5.407 -11.583 295 HB3 GLU 570 HB3 GLU 570 -12.901 -5.696 -11.029 296 HG2 GLU 570 HG2 GLU 570 -11.827 -4.282 -8.891 297 HG3 GLU 570 HG3 GLU 570 -10.994 -3.554 -10.250 298 HE2 GLU 570 HE GLU 570 -12.143 -1.719 -10.476 299 H ILE 571 H ILE 571 -9.561 -8.288 -9.079 300 HA ILE 571 HA ILE 571 -9.602 -9.591 -11.705 301 HB ILE 571 HB ILE 571 -7.471 -9.480 -9.569 302 HG12 ILE 571 HG11 ILE 571 -8.001 -7.439 -11.099 303 HG13 ILE 571 HG12 ILE 571 -6.340 -7.942 -10.855 304 HG21 ILE 571 HG21 ILE 571 -6.057 -10.633 -11.283 305 HG22 ILE 571 HG22 ILE 571 -7.349 -11.639 -10.586 306 HG23 ILE 571 HG23 ILE 571 -7.540 -10.948 -12.216 307 HD11 ILE 571 HD11 ILE 571 -8.079 -8.780 -13.222 308 HD12 ILE 571 HD12 ILE 571 -6.837 -7.506 -13.260 309 HD13 ILE 571 HD13 ILE 571 -6.365 -9.200 -12.983 310 H SER 572 H SER 572 -8.459 -10.842 -8.532 311 HA SER 572 HA SER 572 -10.598 -12.270 -7.770 312 HB2 SER 572 HB2 SER 572 -9.473 -13.404 -10.208 313 HB3 SER 572 HB3 SER 572 -9.326 -14.555 -8.895 314 HG SER 572 HG SER 572 -11.721 -13.898 -8.487 315 H GLY 573 H GLY 573 -9.822 -12.255 -5.678 316 HA2 GLY 573 HA2 GLY 573 -8.625 -13.068 -3.924 317 HA3 GLY 573 HA3 GLY 573 -7.591 -13.956 -5.026 318 H TYR 574 H TYR 574 -7.934 -10.687 -6.039 319 HA TYR 574 HA TYR 574 -5.299 -10.086 -4.897 320 HB2 TYR 574 HB2 TYR 574 -6.906 -9.503 -7.398 321 HB3 TYR 574 HB3 TYR 574 -5.859 -8.207 -6.856 322 HD1 TYR 574 HD2 TYR 574 -5.913 -11.731 -8.015 323 HD2 TYR 574 HD1 TYR 574 -3.485 -8.314 -7.160 324 HE1 TYR 574 HE2 TYR 574 -3.934 -12.842 -9.161 325 HE2 TYR 574 HE1 TYR 574 -1.514 -9.436 -8.309 326 HH TYR 574 HH TYR 574 -1.716 -11.746 -10.383 327 H ALA 575 H ALA 575 -4.873 -7.830 -4.223 328 HA ALA 575 HA ALA 575 -7.336 -6.531 -3.276 329 HB1 ALA 575 HB1 ALA 575 -5.978 -7.684 -1.493 330 HB2 ALA 575 HB2 ALA 575 -4.629 -6.592 -1.888 331 HB3 ALA 575 HB3 ALA 575 -6.153 -5.929 -1.251 332 H LYS 576 H LYS 576 -7.146 -4.144 -3.032 333 HA LYS 576 HA LYS 576 -4.917 -2.881 -4.322 334 HB2 LYS 576 HB2 LYS 576 -5.843 -2.223 -6.294 335 HB3 LYS 576 HB3 LYS 576 -6.654 -3.766 -6.119 336 HG2 LYS 576 HG2 LYS 576 -8.636 -2.661 -5.139 337 HG3 LYS 576 HG3 LYS 576 -7.821 -1.110 -5.163 338 HD2 LYS 576 HD2 LYS 576 -7.567 -1.961 -7.811 339 HD3 LYS 576 HD3 LYS 576 -9.149 -2.572 -7.371 340 HE2 LYS 576 HE2 LYS 576 -8.791 0.157 -6.368 341 HE3 LYS 576 HE3 LYS 576 -8.485 0.093 -8.092 342 HZ2 LYS 576 HZ2 LYS 576 -10.749 -1.448 -7.675 343 HZ3 LYS 576 HZ3 LYS 576 -10.976 -0.127 -6.751 344 H ILE 577 H ILE 577 -4.795 -0.653 -3.807 345 HA ILE 577 HA ILE 577 -7.019 0.437 -2.281 346 HB ILE 577 HB ILE 577 -6.015 0.546 -0.303 347 HG12 ILE 577 HG11 ILE 577 -4.424 2.231 -0.928 348 HG13 ILE 577 HG12 ILE 577 -3.608 1.028 0.052 349 HG21 ILE 577 HG21 ILE 577 -4.571 -1.310 0.229 350 HG22 ILE 577 HG22 ILE 577 -5.785 -1.835 -0.963 351 HG23 ILE 577 HG23 ILE 577 -4.116 -1.500 -1.481 352 HD11 ILE 577 HD11 ILE 577 -2.894 1.906 -2.561 353 HD12 ILE 577 HD12 ILE 577 -2.135 0.604 -1.613 354 HD13 ILE 577 HD13 ILE 577 -3.464 0.229 -2.736 355 H THR 578 H THR 578 -7.066 2.747 -2.271 356 HA THR 578 HA THR 578 -5.090 3.966 -4.084 357 HB THR 578 HB THR 578 -8.020 4.783 -3.926 358 HG1 THR 578 HG1 THR 578 -6.616 2.747 -5.509 359 HG21 THR 578 HG21 THR 578 -5.675 5.193 -5.776 360 HG22 THR 578 HG22 THR 578 -7.277 4.992 -6.526 361 HG23 THR 578 HG23 THR 578 -6.996 6.313 -5.367 362 H VAL 579 H VAL 579 -4.106 5.792 -3.405 363 HA VAL 579 HA VAL 579 -5.262 7.083 -1.038 364 HB VAL 579 HB VAL 579 -2.353 6.390 -1.496 365 HG11 VAL 579 HG11 VAL 579 -3.698 8.301 0.288 366 HG12 VAL 579 HG12 VAL 579 -2.619 7.167 1.136 367 HG13 VAL 579 HG13 VAL 579 -1.987 8.179 -0.185 368 HG21 VAL 579 HG21 VAL 579 -3.607 4.412 -0.874 369 HG22 VAL 579 HG22 VAL 579 -2.637 4.953 0.517 370 HG23 VAL 579 HG23 VAL 579 -4.385 5.282 0.470 371 H ASP 580 H ASP 580 -5.504 9.254 -1.278 372 HA ASP 580 HA ASP 580 -4.683 10.375 -3.749 373 HB2 ASP 580 HB2 ASP 580 -6.834 10.999 -2.733 374 HB3 ASP 580 HB3 ASP 580 -6.031 11.549 -1.275 375 HD2 ASP 580 HD ASP 580 -5.787 12.159 -4.666 376 H ILE 581 H ILE 581 -3.232 12.277 -3.948 377 HA ILE 581 HA ILE 581 -1.768 13.108 -1.617 378 HB ILE 581 HB ILE 581 0.421 12.504 -2.502 379 HG12 ILE 581 HG11 ILE 581 -1.086 10.913 -4.599 380 HG13 ILE 581 HG12 ILE 581 -0.206 12.399 -4.896 381 HG21 ILE 581 HG21 ILE 581 0.383 10.169 -1.896 382 HG22 ILE 581 HG22 ILE 581 -0.744 11.068 -0.853 383 HG23 ILE 581 HG23 ILE 581 -1.369 10.079 -2.195 384 HD11 ILE 581 HD11 ILE 581 1.576 10.680 -3.461 385 HD12 ILE 581 HD12 ILE 581 0.819 9.701 -4.740 386 HD13 ILE 581 HD13 ILE 581 1.689 11.195 -5.161 387 H GLY 582 H GLY 582 -3.523 14.635 -2.966 388 HA2 GLY 582 HA2 GLY 582 -2.740 15.902 -5.292 389 HA3 GLY 582 HA3 GLY 582 -3.706 16.614 -4.015 390 H SER 583 H SER 583 -1.262 15.987 -2.113 391 HA SER 583 HA SER 583 0.441 18.134 -3.088 392 HB2 SER 583 HB2 SER 583 -1.153 18.027 -0.574 393 HB3 SER 583 HB3 SER 583 0.514 18.526 -0.362 394 HG SER 583 HG SER 583 0.075 20.091 -2.186 395 H ALA 584 H ALA 584 1.051 15.449 -3.466 396 HA ALA 584 HA ALA 584 3.458 15.220 -1.963 397 HB1 ALA 584 HB1 ALA 584 1.075 13.912 -0.962 398 HB2 ALA 584 HB2 ALA 584 2.265 12.694 -1.477 399 HB3 ALA 584 HB3 ALA 584 2.718 13.930 -0.279 400 H SER 585 H SER 585 4.951 13.923 -3.071 401 HA SER 585 HA SER 585 3.887 12.834 -5.556 402 HB2 SER 585 HB2 SER 585 6.280 13.087 -6.382 403 HB3 SER 585 HB3 SER 585 5.446 14.591 -6.045 404 HG SER 585 HG SER 585 7.788 13.960 -5.113 405 H GLN 586 H GLN 586 4.736 11.896 -2.504 406 HA GLN 586 HA GLN 586 5.402 9.264 -3.445 407 HB2 GLN 586 HB2 GLN 586 7.335 11.044 -2.061 408 HB3 GLN 586 HB3 GLN 586 7.189 9.453 -1.341 409 HG2 GLN 586 HG2 GLN 586 7.873 8.342 -3.329 410 HG3 GLN 586 HG3 GLN 586 7.482 9.713 -4.348 411 HE21 GLN 586 HE12 GLN 586 9.948 7.992 -3.274 412 HE22 GLN 586 HE22 GLN 586 11.215 9.168 -3.162 413 H LEU 587 H LEU 587 4.595 7.639 -2.073 414 HA LEU 587 HA LEU 587 3.588 8.517 0.524 415 HB2 LEU 587 HB2 LEU 587 1.638 8.770 -0.686 416 HB3 LEU 587 HB3 LEU 587 1.990 7.429 -1.758 417 HG LEU 587 HG LEU 587 1.752 6.061 0.550 418 HD11 LEU 587 HD11 LEU 587 0.697 7.090 2.213 419 HD12 LEU 587 HD12 LEU 587 0.956 8.617 1.338 420 HD13 LEU 587 HD13 LEU 587 -0.563 7.714 1.121 421 HD21 LEU 587 HD21 LEU 587 -0.366 6.910 -1.424 422 HD22 LEU 587 HD22 LEU 587 0.545 5.383 -1.343 423 HD23 LEU 587 HD23 LEU 587 -0.696 5.744 -0.119 424 H GLU 588 H GLU 588 4.013 7.064 2.129 425 HA GLU 588 HA GLU 588 5.270 4.609 1.242 426 HB2 GLU 588 HB2 GLU 588 5.894 4.530 3.785 427 HB3 GLU 588 HB3 GLU 588 6.713 5.680 2.746 428 HG2 GLU 588 HG2 GLU 588 4.156 6.593 4.045 429 HG3 GLU 588 HG3 GLU 588 5.553 6.403 5.086 430 HE2 GLU 588 HE GLU 588 5.575 8.730 1.882 431 H ALA 589 H ALA 589 4.571 2.534 1.948 432 HA ALA 589 HA ALA 589 2.139 2.482 3.567 433 HB1 ALA 589 HB1 ALA 589 1.879 2.414 0.893 434 HB2 ALA 589 HB2 ALA 589 2.256 0.696 1.167 435 HB3 ALA 589 HB3 ALA 589 0.853 1.438 1.972 436 H ALA 590 H ALA 590 2.021 0.695 4.935 437 HA ALA 590 HA ALA 590 4.263 -1.194 4.687 438 HB1 ALA 590 HB1 ALA 590 4.745 0.182 6.569 439 HB2 ALA 590 HB2 ALA 590 3.050 0.169 7.112 440 HB3 ALA 590 HB3 ALA 590 4.038 -1.306 7.244 441 H PHE 591 H PHE 591 3.769 -3.348 5.790 442 HA PHE 591 HA PHE 591 0.909 -3.946 5.492 443 HB2 PHE 591 HB2 PHE 591 3.136 -5.964 5.031 444 HB3 PHE 591 HB3 PHE 591 1.550 -5.917 4.289 445 HD1 PHE 591 HD2 PHE 591 1.506 -3.122 3.269 446 HD2 PHE 591 HD1 PHE 591 4.591 -6.035 3.211 447 HE1 PHE 591 HE2 PHE 591 2.491 -2.037 1.232 448 HE2 PHE 591 HE1 PHE 591 5.576 -4.950 1.173 449 HZ PHE 591 HZ PHE 591 4.515 -2.964 0.208 450 H ASN 592 H ASN 592 -0.041 -4.900 7.240 451 HA ASN 592 HA ASN 592 1.565 -6.532 8.951 452 HB2 ASN 592 HB2 ASN 592 1.081 -5.275 11.011 453 HB3 ASN 592 HB3 ASN 592 1.882 -4.204 9.879 454 HD21 ASN 592 HD21 ASN 592 0.580 -2.769 8.582 455 HD22 ASN 592 HD22 ASN 592 -0.912 -2.140 9.197 456 H ASP 593 H ASP 593 0.215 -8.131 9.912 457 HA ASP 593 HA ASP 593 -2.405 -8.289 8.935 458 HB2 ASP 593 HB2 ASP 593 -1.469 -9.900 11.315 459 HB3 ASP 593 HB3 ASP 593 -2.459 -10.415 9.964 460 HD2 ASP 593 HD ASP 593 -0.944 -10.375 7.778 461 H GLY 594 H GLY 594 -0.894 -6.764 11.675 462 HA2 GLY 594 HA2 GLY 594 -2.073 -5.239 13.020 463 HA3 GLY 594 HA3 GLY 594 -3.531 -6.195 12.846 464 H ASN 595 H ASN 595 -1.368 -8.602 13.212 465 HA ASN 595 HA ASN 595 -1.865 -8.692 16.051 466 HB2 ASN 595 HB2 ASN 595 -0.804 -10.771 14.067 467 HB3 ASN 595 HB3 ASN 595 -1.008 -11.091 15.778 468 HD21 ASN 595 HD21 ASN 595 -3.159 -10.726 16.709 469 HD22 ASN 595 HD22 ASN 595 -4.566 -11.098 15.769 470 H ASN 596 H ASN 596 0.078 -6.755 15.255 471 HA ASN 596 HA ASN 596 2.074 -6.060 15.738 472 HB2 ASN 596 HB2 ASN 596 2.479 -8.710 17.225 473 HB3 ASN 596 HB3 ASN 596 3.473 -7.279 17.416 474 HD21 ASN 596 HD21 ASN 596 2.295 -5.250 18.001 475 HD22 ASN 596 HD22 ASN 596 1.031 -5.350 19.181 476 H ASN 597 H ASN 597 1.441 -7.983 13.424 477 HA ASN 597 HA ASN 597 4.131 -9.026 13.022 478 HB2 ASN 597 HB2 ASN 597 1.643 -10.301 12.751 479 HB3 ASN 597 HB3 ASN 597 2.033 -9.873 11.098 480 HD21 ASN 597 HD21 ASN 597 2.364 -12.155 13.447 481 HD22 ASN 597 HD22 ASN 597 3.741 -13.034 12.872 482 H TRP 598 H TRP 598 5.058 -7.068 12.137 483 HA TRP 598 HA TRP 598 3.695 -5.970 9.785 484 HB2 TRP 598 HB2 TRP 598 5.783 -4.819 11.638 485 HB3 TRP 598 HB3 TRP 598 5.315 -4.068 10.125 486 HD1 TRP 598 HD TRP 598 3.194 -5.458 13.122 487 HE1 TRP 598 HE1 TRP 598 1.343 -3.711 13.819 488 HE3 TRP 598 HE3 TRP 598 4.463 -1.947 9.669 489 HZ2 TRP 598 HZ2 TRP 598 0.634 -1.115 12.869 490 HZ3 TRP 598 HZ3 TRP 598 3.140 0.166 9.621 491 HH2 TRP 598 HH TRP 598 1.283 0.610 11.148 492 H ASP 599 H ASP 599 4.999 -5.600 7.837 493 HA ASP 599 HA ASP 599 7.466 -7.137 7.824 494 HB2 ASP 599 HB2 ASP 599 5.233 -7.244 5.742 495 HB3 ASP 599 HB3 ASP 599 6.815 -7.964 5.516 496 HD2 ASP 599 HD ASP 599 5.625 -10.342 5.601 497 H SER 600 H SER 600 7.124 -4.276 8.069 498 HA SER 600 HA SER 600 7.286 -3.152 5.458 499 HB2 SER 600 HB2 SER 600 7.747 -1.020 6.746 500 HB3 SER 600 HB3 SER 600 6.242 -1.813 7.166 501 HG SER 600 HG SER 600 7.030 -2.409 9.131 502 H ASN 601 H ASN 601 9.517 -2.088 8.023 503 HA ASN 601 HA ASN 601 11.731 -3.528 7.128 504 HB2 ASN 601 HB2 ASN 601 11.122 -0.969 5.741 505 HB3 ASN 601 HB3 ASN 601 12.736 -1.007 6.422 506 HD21 ASN 601 HD21 ASN 601 13.133 -0.852 4.032 507 HD22 ASN 601 HD22 ASN 601 13.354 -2.325 3.149 508 H ASN 602 H ASN 602 10.338 -2.710 9.592 509 HA ASN 602 HA ASN 602 11.005 -2.257 11.635 510 HB2 ASN 602 HB2 ASN 602 13.484 -2.314 10.431 511 HB3 ASN 602 HB3 ASN 602 13.432 -0.636 10.932 512 HD21 ASN 602 HD21 ASN 602 13.855 -0.117 12.959 513 HD22 ASN 602 HD22 ASN 602 14.035 -1.213 14.288 514 H THR 603 H THR 603 12.071 0.347 9.312 515 HA THR 603 HA THR 603 10.016 2.117 9.961 516 HB THR 603 HB THR 603 11.105 2.232 12.187 517 HG1 THR 603 HG1 THR 603 11.146 4.506 12.056 518 HG21 THR 603 HG21 THR 603 13.373 2.345 12.467 519 HG22 THR 603 HG22 THR 603 13.526 1.984 10.731 520 HG23 THR 603 HG23 THR 603 13.501 3.674 11.289 521 H LYS 604 H LYS 604 11.430 0.987 7.681 522 HA LYS 604 HA LYS 604 12.538 3.482 6.593 523 HB2 LYS 604 HB2 LYS 604 13.765 0.967 6.803 524 HB3 LYS 604 HB3 LYS 604 13.282 1.088 5.123 525 HG2 LYS 604 HG2 LYS 604 14.851 3.229 6.638 526 HG3 LYS 604 HG3 LYS 604 15.565 2.049 5.558 527 HD2 LYS 604 HD2 LYS 604 13.841 2.971 3.787 528 HD3 LYS 604 HD3 LYS 604 13.699 4.342 4.869 529 HE2 LYS 604 HE2 LYS 604 16.488 3.906 4.651 530 HE3 LYS 604 HE3 LYS 604 15.880 3.653 3.027 531 HZ2 LYS 604 HZ2 LYS 604 15.884 5.894 2.909 532 HZ3 LYS 604 HZ3 LYS 604 14.555 5.889 3.850 533 H ASN 605 H ASN 605 10.305 0.733 6.238 534 HA ASN 605 HA ASN 605 8.817 0.241 4.707 535 HB2 ASN 605 HB2 ASN 605 8.144 3.173 4.383 536 HB3 ASN 605 HB3 ASN 605 7.058 1.819 4.618 537 HD21 ASN 605 HD21 ASN 605 8.967 4.262 6.078 538 HD22 ASN 605 HD22 ASN 605 8.580 3.961 7.739 539 H TYR 606 H TYR 606 7.684 1.837 2.530 540 HA TYR 606 HA TYR 606 10.039 2.315 0.839 541 HB2 TYR 606 HB2 TYR 606 7.433 0.741 0.393 542 HB3 TYR 606 HB3 TYR 606 8.431 1.249 -0.956 543 HD1 TYR 606 HD1 TYR 606 11.121 0.667 -0.356 544 HD2 TYR 606 HD2 TYR 606 7.649 -1.509 0.876 545 HE1 TYR 606 HE1 TYR 606 12.521 -1.440 -0.105 546 HE2 TYR 606 HE2 TYR 606 9.061 -3.609 1.122 547 HH TYR 606 HH TYR 606 11.568 -4.044 1.597 548 H LEU 607 H LEU 607 9.500 3.629 -1.144 549 HA LEU 607 HA LEU 607 7.306 5.481 -0.514 550 HB2 LEU 607 HB2 LEU 607 9.979 6.052 -1.802 551 HB3 LEU 607 HB3 LEU 607 8.672 7.208 -1.636 552 HG LEU 607 HG LEU 607 8.926 6.504 0.949 553 HD11 LEU 607 HD11 LEU 607 10.678 5.118 1.184 554 HD12 LEU 607 HD12 LEU 607 11.408 5.600 -0.366 555 HD13 LEU 607 HD13 LEU 607 11.638 6.613 1.079 556 HD21 LEU 607 HD21 LEU 607 10.439 8.588 -0.627 557 HD22 LEU 607 HD22 LEU 607 8.943 8.772 0.319 558 HD23 LEU 607 HD23 LEU 607 10.493 8.501 1.150 559 H PHE 608 H PHE 608 5.687 5.573 -1.978 560 HA PHE 608 HA PHE 608 6.313 4.579 -4.669 561 HB2 PHE 608 HB2 PHE 608 3.619 4.466 -3.208 562 HB3 PHE 608 HB3 PHE 608 4.083 3.553 -4.630 563 HD1 PHE 608 HD1 PHE 608 6.611 2.350 -3.943 564 HD2 PHE 608 HD2 PHE 608 3.210 2.990 -1.486 565 HE1 PHE 608 HE1 PHE 608 7.303 0.429 -2.484 566 HE2 PHE 608 HE2 PHE 608 3.903 1.069 -0.027 567 HZ PHE 608 HZ PHE 608 5.941 -0.189 -0.543 568 H SER 609 H SER 609 5.278 5.640 -6.442 569 HA SER 609 HA SER 609 4.179 8.226 -5.669 570 HB2 SER 609 HB2 SER 609 6.275 8.428 -6.918 571 HB3 SER 609 HB3 SER 609 5.678 7.370 -8.181 572 HG SER 609 HG SER 609 5.232 9.318 -9.057 573 H THR 610 H THR 610 2.561 9.136 -7.368 574 HA THR 610 HA THR 610 0.359 7.517 -7.550 575 HB THR 610 HB THR 610 -0.369 9.256 -9.268 576 HG1 THR 610 HG1 THR 610 2.219 10.430 -8.693 577 HG21 THR 610 HG21 THR 610 -0.656 10.012 -6.988 578 HG22 THR 610 HG22 THR 610 1.101 10.170 -6.750 579 HG23 THR 610 HG23 THR 610 0.240 11.312 -7.810 580 H GLY 611 H GLY 611 -0.764 6.560 -9.407 581 HA2 GLY 611 HA2 GLY 611 -0.506 5.814 -11.715 582 HA3 GLY 611 HA3 GLY 611 1.163 5.424 -11.347 583 H THR 612 H THR 612 0.710 3.200 -12.048 584 HA THR 612 HA THR 612 -0.953 1.700 -10.142 585 HB THR 612 HB THR 612 0.100 0.669 -12.801 586 HG1 THR 612 HG1 THR 612 -2.020 1.670 -13.558 587 HG21 THR 612 HG21 THR 612 -2.234 -0.360 -12.796 588 HG22 THR 612 HG22 THR 612 -1.192 -0.943 -11.476 589 HG23 THR 612 HG23 THR 612 -2.447 0.276 -11.148 590 H SER 613 H SER 613 -0.069 0.342 -8.704 591 HA SER 613 HA SER 613 2.599 -0.614 -9.272 592 HB2 SER 613 HB2 SER 613 3.332 -0.064 -6.932 593 HB3 SER 613 HB3 SER 613 3.046 1.353 -7.923 594 HG SER 613 HG SER 613 2.109 1.496 -5.752 595 H THR 614 H THR 614 3.189 -2.499 -7.827 596 HA THR 614 HA THR 614 0.844 -3.720 -6.552 597 HB THR 614 HB THR 614 2.730 -5.333 -8.306 598 HG1 THR 614 HG1 THR 614 0.321 -3.789 -8.969 599 HG21 THR 614 HG21 THR 614 -0.038 -5.595 -7.133 600 HG22 THR 614 HG22 THR 614 0.244 -6.305 -8.741 601 HG23 THR 614 HG23 THR 614 1.215 -6.841 -7.349 602 H TYR 615 H TYR 615 1.321 -3.968 -4.467 603 HA TYR 615 HA TYR 615 4.124 -4.374 -3.758 604 HB2 TYR 615 HB2 TYR 615 3.370 -2.934 -2.096 605 HB3 TYR 615 HB3 TYR 615 1.742 -3.032 -2.739 606 HD1 TYR 615 HD2 TYR 615 3.983 -5.442 -0.917 607 HD2 TYR 615 HD1 TYR 615 0.187 -3.476 -1.085 608 HE1 TYR 615 HE2 TYR 615 3.232 -6.699 1.161 609 HE2 TYR 615 HE1 TYR 615 -0.551 -4.740 0.994 610 HH TYR 615 HH TYR 615 0.247 -5.895 2.773 611 H THR 616 H THR 616 4.841 -6.430 -3.532 612 HA THR 616 HA THR 616 2.902 -8.409 -2.527 613 HB THR 616 HB THR 616 5.269 -8.793 -4.434 614 HG1 THR 616 HG1 THR 616 3.262 -7.575 -5.151 615 HG21 THR 616 HG21 THR 616 3.512 -10.874 -4.823 616 HG22 THR 616 HG22 THR 616 4.938 -10.986 -3.764 617 HG23 THR 616 HG23 THR 616 3.338 -10.629 -3.069 618 HA PRO 617 HA PRO 617 5.757 -8.429 0.775 619 HB2 PRO 617 HB2 PRO 617 4.148 -9.725 2.563 620 HB3 PRO 617 HB3 PRO 617 4.133 -7.986 2.346 621 HG2 PRO 617 HG2 PRO 617 2.161 -9.985 1.424 622 HG3 PRO 617 HG3 PRO 617 1.968 -8.252 1.596 623 HD2 PRO 617 HD2 PRO 617 2.357 -9.701 -0.849 624 HD3 PRO 617 HD3 PRO 617 2.281 -7.960 -0.663 625 H GLY 618 H GLY 618 6.202 -10.368 2.572 626 HA2 GLY 618 HA2 GLY 618 7.043 -12.547 0.781 627 HA3 GLY 618 HA3 GLY 618 7.770 -12.113 2.315 628 H SER 619 H SER 619 7.559 -14.294 3.118 629 HA SER 619 HA SER 619 4.790 -14.934 3.778 630 HB2 SER 619 HB2 SER 619 5.490 -17.354 3.730 631 HB3 SER 619 HB3 SER 619 5.551 -16.571 2.164 632 HG SER 619 HG SER 619 7.505 -17.923 3.239 633 H ASN 620 H ASN 620 8.280 -15.148 4.688 634 HA ASN 620 HA ASN 620 7.426 -15.636 7.422 635 HB2 ASN 620 HB2 ASN 620 9.908 -16.235 5.825 636 HB3 ASN 620 HB3 ASN 620 10.152 -15.868 7.521 637 HD21 ASN 620 HD21 ASN 620 10.654 -17.812 8.303 638 HD22 ASN 620 HD22 ASN 620 9.628 -19.208 8.287 639 H GLY 621 H GLY 621 6.779 -13.185 7.273 640 HA2 GLY 621 HA2 GLY 621 7.245 -10.965 7.470 641 HA3 GLY 621 HA3 GLY 621 8.211 -11.555 8.807 642 H ALA 622 H ALA 622 8.578 -11.671 5.186 643 HA ALA 622 HA ALA 622 11.203 -10.402 5.568 644 HB1 ALA 622 HB1 ALA 622 12.211 -11.971 4.232 645 HB2 ALA 622 HB2 ALA 622 10.896 -12.989 4.866 646 HB3 ALA 622 HB3 ALA 622 10.746 -12.242 3.258 647 H ALA 623 H ALA 623 10.973 -8.331 4.864 648 HA ALA 623 HA ALA 623 9.055 -7.200 3.434 649 HB1 ALA 623 HB1 ALA 623 10.714 -5.534 2.721 650 HB2 ALA 623 HB2 ALA 623 11.041 -6.058 4.390 651 HB3 ALA 623 HB3 ALA 623 12.033 -6.684 3.050 652 H GLY 624 H GLY 624 8.237 -7.157 1.366 653 HA2 GLY 624 HA2 GLY 624 9.388 -9.090 -0.509 654 HA3 GLY 624 HA3 GLY 624 7.787 -8.378 -0.564 655 H THR 625 H THR 625 7.688 -7.336 -2.529 656 HA THR 625 HA THR 625 9.427 -5.053 -2.877 657 HB THR 625 HB THR 625 9.973 -5.923 -5.267 658 HG1 THR 625 HG1 THR 625 9.168 -8.319 -3.769 659 HG21 THR 625 HG21 THR 625 11.946 -7.025 -4.558 660 HG22 THR 625 HG22 THR 625 11.537 -6.065 -3.116 661 HG23 THR 625 HG23 THR 625 11.130 -7.796 -3.177 662 H ILE 626 H ILE 626 8.729 -3.728 -4.812 663 HA ILE 626 HA ILE 626 5.848 -4.130 -5.229 664 HB ILE 626 HB ILE 626 6.915 -1.381 -5.326 665 HG12 ILE 626 HG11 ILE 626 6.503 -1.397 -2.701 666 HG13 ILE 626 HG12 ILE 626 7.041 -3.058 -2.849 667 HG21 ILE 626 HG21 ILE 626 4.706 -1.123 -5.444 668 HG22 ILE 626 HG22 ILE 626 4.397 -2.785 -4.890 669 HG23 ILE 626 HG23 ILE 626 4.673 -1.488 -3.703 670 HD11 ILE 626 HD11 ILE 626 9.197 -2.463 -3.413 671 HD12 ILE 626 HD12 ILE 626 8.674 -1.024 -4.320 672 HD13 ILE 626 HD13 ILE 626 8.756 -0.975 -2.543 673 H ARG 627 H ARG 627 5.221 -4.303 -7.322 674 HA ARG 627 HA ARG 627 7.246 -3.568 -9.277 675 HB2 ARG 627 HB2 ARG 627 6.563 -6.013 -9.148 676 HB3 ARG 627 HB3 ARG 627 4.932 -5.548 -9.588 677 HG2 ARG 627 HG2 ARG 627 6.597 -4.301 -11.522 678 HG3 ARG 627 HG3 ARG 627 7.278 -5.901 -11.304 679 HD2 ARG 627 HD1 ARG 627 4.539 -6.435 -11.389 680 HD3 ARG 627 HD2 ARG 627 4.692 -5.107 -12.521 681 HE ARG 627 HE ARG 627 5.546 -7.793 -12.986 682 HH11 ARG 627 HH22 ARG 627 6.699 -4.481 -13.491 683 HH12 ARG 627 HH21 ARG 627 7.663 -4.894 -14.869 684 HH22 ARG 627 HH1 ARG 627 7.717 -7.168 -15.624 685 H THR 628 H THR 628 6.754 -1.854 -10.620 686 HA THR 628 HA THR 628 4.157 -0.644 -10.420 687 HB THR 628 HB THR 628 5.924 0.429 -12.489 688 HG1 THR 628 HG1 THR 628 7.752 0.665 -10.994 689 HG21 THR 628 HG21 THR 628 4.318 1.411 -10.393 690 HG22 THR 628 HG22 THR 628 5.979 1.743 -9.846 691 HG23 THR 628 HG23 THR 628 5.410 2.385 -11.406 692 H GLY 629 H GLY 629 2.633 -0.301 -12.084 693 HA2 GLY 629 HA2 GLY 629 2.038 -0.620 -14.397 694 HA3 GLY 629 HA3 GLY 629 2.939 -2.123 -14.392 695 H ALA 630 H ALA 630 -0.009 -1.453 -14.918 696 HA ALA 630 HA ALA 630 -1.571 -2.382 -12.808 697 HB1 ALA 630 HB1 ALA 630 -3.131 -2.965 -14.852 698 HB2 ALA 630 HB2 ALA 630 -2.731 -1.267 -14.495 699 HB3 ALA 630 HB3 ALA 630 -1.875 -2.129 -15.797 700 HA PRO 631 HA PRO 631 -0.502 -6.601 -12.922 701 HB2 PRO 631 HB2 PRO 631 -2.197 -7.477 -10.965 702 HB3 PRO 631 HB3 PRO 631 -0.629 -6.771 -10.630 703 HG2 PRO 631 HG2 PRO 631 -3.310 -5.568 -10.309 704 HG3 PRO 631 HG3 PRO 631 -1.789 -5.064 -9.600 705 HD2 PRO 631 HD2 PRO 631 -3.139 -3.838 -11.814 706 HD3 PRO 631 HD3 PRO 631 -1.564 -3.408 -11.178 707 H SER 632 H SER 632 -1.378 -8.780 -13.347 708 HA SER 632 HA SER 632 -4.063 -8.711 -14.333 709 HB2 SER 632 HB2 SER 632 -3.442 -9.518 -16.609 710 HB3 SER 632 HB3 SER 632 -2.876 -7.887 -16.304 711 HG SER 632 HG SER 632 -0.798 -8.543 -16.312 712 H GLY 633 H GLY 633 -4.097 -10.229 -12.443 713 HA2 GLY 633 HA2 GLY 633 -3.912 -12.255 -11.461 714 HA3 GLY 633 HA3 GLY 633 -4.285 -12.853 -13.065 Start of MODEL 18 1 H1 GLY 530 H GLY 530 -0.437 25.973 -5.545 2 HA2 GLY 530 HA2 GLY 530 -2.444 25.513 -4.222 3 HA3 GLY 530 HA3 GLY 530 -3.334 25.390 -5.727 4 H GLY 531 H GLY 531 -3.075 23.536 -7.104 5 HA2 GLY 531 HA2 GLY 531 -1.741 21.550 -7.585 6 HA3 GLY 531 HA3 GLY 531 -1.559 21.320 -5.858 7 H THR 532 H THR 532 -2.632 19.307 -7.568 8 HA THR 532 HA THR 532 -5.460 19.317 -6.733 9 HB THR 532 HB THR 532 -4.224 17.825 -9.098 10 HG1 THR 532 HG1 THR 532 -5.283 19.747 -10.213 11 HG21 THR 532 HG21 THR 532 -6.445 17.485 -9.812 12 HG22 THR 532 HG22 THR 532 -6.644 17.353 -8.048 13 HG23 THR 532 HG23 THR 532 -7.058 18.871 -8.879 14 H THR 533 H THR 533 -6.379 17.242 -6.110 15 HA THR 533 HA THR 533 -4.511 15.809 -4.460 16 HB THR 533 HB THR 533 -6.779 14.534 -4.005 17 HG1 THR 533 HG1 THR 533 -8.476 15.430 -5.153 18 HG21 THR 533 HG21 THR 533 -7.679 17.078 -3.221 19 HG22 THR 533 HG22 THR 533 -6.665 15.995 -2.239 20 HG23 THR 533 HG23 THR 533 -5.908 17.255 -3.244 21 H ASN 534 H ASN 534 -3.457 13.962 -4.867 22 HA ASN 534 HA ASN 534 -4.170 12.665 -7.372 23 HB2 ASN 534 HB2 ASN 534 -1.640 13.406 -6.130 24 HB3 ASN 534 HB3 ASN 534 -1.675 11.666 -6.335 25 HD21 ASN 534 HD21 ASN 534 -0.237 13.943 -7.686 26 HD22 ASN 534 HD22 ASN 534 -0.477 13.707 -9.385 27 H LYS 535 H LYS 535 -3.407 10.138 -7.218 28 HA LYS 535 HA LYS 535 -3.922 9.055 -4.576 29 HB2 LYS 535 HB2 LYS 535 -5.682 8.452 -6.970 30 HB3 LYS 535 HB3 LYS 535 -5.669 7.516 -5.490 31 HG2 LYS 535 HG2 LYS 535 -6.040 9.882 -4.325 32 HG3 LYS 535 HG3 LYS 535 -6.591 10.368 -5.916 33 HD2 LYS 535 HD2 LYS 535 -7.673 7.844 -4.614 34 HD3 LYS 535 HD3 LYS 535 -8.342 9.412 -4.207 35 HE2 LYS 535 HE2 LYS 535 -8.616 9.783 -6.767 36 HE3 LYS 535 HE3 LYS 535 -8.284 8.071 -6.942 37 HZ2 LYS 535 HZ2 LYS 535 -10.732 9.036 -6.502 38 HZ3 LYS 535 HZ3 LYS 535 -10.298 7.533 -6.051 39 H VAL 536 H VAL 536 -3.441 6.668 -4.520 40 HA VAL 536 HA VAL 536 -1.614 5.929 -6.694 41 HB VAL 536 HB VAL 536 -0.266 6.735 -4.881 42 HG11 VAL 536 HG11 VAL 536 -1.350 6.735 -2.884 43 HG12 VAL 536 HG12 VAL 536 -2.192 5.202 -3.213 44 HG13 VAL 536 HG13 VAL 536 -0.493 5.188 -2.683 45 HG21 VAL 536 HG21 VAL 536 0.769 4.913 -5.946 46 HG22 VAL 536 HG22 VAL 536 0.895 4.537 -4.211 47 HG23 VAL 536 HG23 VAL 536 -0.341 3.732 -5.209 48 H THR 537 H THR 537 -1.832 3.837 -7.428 49 HA THR 537 HA THR 537 -3.932 2.270 -6.103 50 HB THR 537 HB THR 537 -2.792 2.319 -8.944 51 HG1 THR 537 HG1 THR 537 -4.610 3.576 -9.177 52 HG21 THR 537 HG21 THR 537 -5.261 0.917 -8.831 53 HG22 THR 537 HG22 THR 537 -3.666 0.222 -9.208 54 HG23 THR 537 HG23 THR 537 -4.267 0.214 -7.532 55 H VAL 538 H VAL 538 -3.451 0.508 -4.957 56 HA VAL 538 HA VAL 538 -0.871 -0.769 -5.537 57 HB VAL 538 HB VAL 538 -1.964 -0.709 -2.760 58 HG11 VAL 538 HG11 VAL 538 0.888 -0.276 -3.107 59 HG12 VAL 538 HG12 VAL 538 0.030 -1.585 -2.259 60 HG13 VAL 538 HG13 VAL 538 0.338 -1.710 -4.007 61 HG21 VAL 538 HG21 VAL 538 -2.088 1.642 -3.470 62 HG22 VAL 538 HG22 VAL 538 -0.803 1.392 -2.264 63 HG23 VAL 538 HG23 VAL 538 -0.385 1.579 -3.985 64 H TYR 539 H TYR 539 -1.031 -2.916 -5.971 65 HA TYR 539 HA TYR 539 -3.605 -4.179 -5.316 66 HB2 TYR 539 HB2 TYR 539 -1.717 -4.043 -7.631 67 HB3 TYR 539 HB3 TYR 539 -2.161 -5.692 -7.238 68 HD1 TYR 539 HD1 TYR 539 -3.939 -2.386 -7.517 69 HD2 TYR 539 HD2 TYR 539 -3.902 -6.552 -8.491 70 HE1 TYR 539 HE1 TYR 539 -6.116 -2.112 -8.800 71 HE2 TYR 539 HE2 TYR 539 -6.080 -6.264 -9.772 72 HH TYR 539 HH TYR 539 -8.116 -4.057 -9.387 73 H TYR 540 H TYR 540 -3.596 -5.836 -3.877 74 HA TYR 540 HA TYR 540 -0.971 -6.962 -3.193 75 HB2 TYR 540 HB2 TYR 540 -2.123 -5.882 -1.319 76 HB3 TYR 540 HB3 TYR 540 -3.676 -6.524 -1.817 77 HD1 TYR 540 HD2 TYR 540 -0.412 -8.301 -1.341 78 HD2 TYR 540 HD1 TYR 540 -4.443 -7.784 -0.003 79 HE1 TYR 540 HE2 TYR 540 -0.132 -10.244 0.275 80 HE2 TYR 540 HE1 TYR 540 -4.150 -9.730 1.607 81 HH TYR 540 HH TYR 540 -2.835 -11.606 1.939 82 H LYS 541 H LYS 541 -0.634 -9.191 -3.198 83 HA LYS 541 HA LYS 541 -2.708 -10.697 -4.589 84 HB2 LYS 541 HB2 LYS 541 -0.168 -10.494 -5.261 85 HB3 LYS 541 HB3 LYS 541 0.057 -11.733 -4.043 86 HG2 LYS 541 HG2 LYS 541 -1.762 -13.098 -5.195 87 HG3 LYS 541 HG3 LYS 541 -1.793 -11.894 -6.468 88 HD2 LYS 541 HD2 LYS 541 0.174 -12.629 -7.393 89 HD3 LYS 541 HD3 LYS 541 0.942 -12.852 -5.833 90 HE2 LYS 541 HE2 LYS 541 -0.332 -14.979 -5.503 91 HE3 LYS 541 HE3 LYS 541 -1.120 -14.753 -7.052 92 HZ2 LYS 541 HZ2 LYS 541 1.674 -15.466 -6.523 93 HZ3 LYS 541 HZ3 LYS 541 0.664 -16.060 -7.654 94 H LYS 542 H LYS 542 -3.818 -12.382 -3.665 95 HA LYS 542 HA LYS 542 -3.311 -12.765 -0.814 96 HB2 LYS 542 HB2 LYS 542 -5.614 -12.140 -2.021 97 HB3 LYS 542 HB3 LYS 542 -5.721 -13.881 -2.181 98 HG2 LYS 542 HG2 LYS 542 -5.291 -14.107 0.295 99 HG3 LYS 542 HG3 LYS 542 -5.266 -12.360 0.431 100 HD2 LYS 542 HD2 LYS 542 -7.647 -13.866 -0.736 101 HD3 LYS 542 HD3 LYS 542 -7.502 -13.532 0.978 102 HE2 LYS 542 HE2 LYS 542 -7.201 -11.048 0.345 103 HE3 LYS 542 HE3 LYS 542 -7.659 -11.494 -1.286 104 HZ2 LYS 542 HZ2 LYS 542 -9.786 -12.236 -0.492 105 HZ3 LYS 542 HZ3 LYS 542 -9.359 -12.092 1.073 106 H GLY 543 H GLY 543 -1.845 -15.867 -1.082 107 HA2 GLY 543 HA2 GLY 543 -0.757 -14.247 0.162 108 HA3 GLY 543 HA3 GLY 543 -1.908 -13.036 -0.367 109 H PHE 544 H PHE 544 -1.434 -12.904 2.252 110 HA PHE 544 HA PHE 544 -2.652 -14.610 3.989 111 HB2 PHE 544 HB2 PHE 544 -2.530 -11.535 3.927 112 HB3 PHE 544 HB3 PHE 544 -2.882 -12.455 5.376 113 HD1 PHE 544 HD2 PHE 544 -1.060 -14.292 5.973 114 HD2 PHE 544 HD1 PHE 544 -0.348 -10.879 3.554 115 HE1 PHE 544 HE2 PHE 544 1.396 -14.452 6.469 116 HE2 PHE 544 HE1 PHE 544 2.107 -11.039 4.049 117 HZ PHE 544 HZ PHE 544 2.950 -12.824 5.501 118 H ASN 545 H ASN 545 -4.640 -13.490 5.465 119 HA ASN 545 HA ASN 545 -6.873 -14.006 3.847 120 HB2 ASN 545 HB2 ASN 545 -8.104 -13.169 6.012 121 HB3 ASN 545 HB3 ASN 545 -7.132 -14.622 6.130 122 HD21 ASN 545 HD21 ASN 545 -5.059 -14.540 7.058 123 HD22 ASN 545 HD22 ASN 545 -4.593 -13.291 8.164 124 H SER 546 H SER 546 -5.714 -11.086 5.706 125 HA SER 546 HA SER 546 -6.241 -9.317 3.658 126 HB2 SER 546 HB2 SER 546 -8.231 -8.117 4.581 127 HB3 SER 546 HB3 SER 546 -8.614 -9.735 4.029 128 HG SER 546 HG SER 546 -9.561 -9.254 6.119 129 HA PRO 547 HA PRO 547 -3.784 -7.887 7.191 130 HB2 PRO 547 HB2 PRO 547 -1.483 -7.341 5.822 131 HB3 PRO 547 HB3 PRO 547 -1.780 -8.870 6.625 132 HG2 PRO 547 HG2 PRO 547 -1.858 -8.248 3.736 133 HG3 PRO 547 HG3 PRO 547 -1.729 -9.810 4.519 134 HD2 PRO 547 HD2 PRO 547 -4.073 -8.687 3.306 135 HD3 PRO 547 HD3 PRO 547 -3.972 -10.196 4.190 136 H TYR 548 H TYR 548 -3.549 -5.840 8.003 137 HA TYR 548 HA TYR 548 -4.710 -3.837 6.308 138 HB2 TYR 548 HB2 TYR 548 -3.745 -4.273 9.147 139 HB3 TYR 548 HB3 TYR 548 -3.777 -2.605 8.610 140 HD1 TYR 548 HD1 TYR 548 -5.868 -5.602 9.226 141 HD2 TYR 548 HD2 TYR 548 -5.847 -1.412 8.360 142 HE1 TYR 548 HE1 TYR 548 -8.353 -5.473 9.750 143 HE2 TYR 548 HE2 TYR 548 -8.332 -1.298 8.888 144 HH TYR 548 HH TYR 548 -9.999 -2.398 9.935 145 H ILE 549 H ILE 549 -3.724 -1.976 5.463 146 HA ILE 549 HA ILE 549 -0.788 -2.007 5.604 147 HB ILE 549 HB ILE 549 -0.613 -1.797 3.395 148 HG12 ILE 549 HG11 ILE 549 -1.575 0.486 3.434 149 HG13 ILE 549 HG12 ILE 549 -1.946 -0.397 1.967 150 HG21 ILE 549 HG21 ILE 549 -2.508 -2.846 2.118 151 HG22 ILE 549 HG22 ILE 549 -1.918 -3.784 3.511 152 HG23 ILE 549 HG23 ILE 549 -3.435 -2.861 3.637 153 HD11 ILE 549 HD11 ILE 549 -4.151 -0.062 2.334 154 HD12 ILE 549 HD12 ILE 549 -4.032 -0.994 3.846 155 HD13 ILE 549 HD13 ILE 549 -3.777 0.767 3.864 156 H HIS 550 H HIS 550 0.268 -0.054 6.004 157 HA HIS 550 HA HIS 550 -1.523 2.215 6.480 158 HB2 HIS 550 HB2 HIS 550 -0.559 0.897 8.530 159 HB3 HIS 550 HB3 HIS 550 0.931 1.738 8.152 160 HD1 HIS 550 HD1 HIS 550 -1.702 4.015 7.259 161 HD2 HIS 550 HE2 HIS 550 0.066 2.817 10.869 162 HE1 HIS 550 HE1 HIS 550 -2.268 5.824 8.967 163 H TYR 551 H TYR 551 -1.034 3.929 5.212 164 HA TYR 551 HA TYR 551 1.780 4.282 4.463 165 HB2 TYR 551 HB2 TYR 551 0.371 5.152 2.257 166 HB3 TYR 551 HB3 TYR 551 0.964 3.508 2.393 167 HD1 TYR 551 HD1 TYR 551 -1.981 5.303 3.892 168 HD2 TYR 551 HD2 TYR 551 -0.586 2.014 1.538 169 HE1 TYR 551 HE1 TYR 551 -4.358 4.424 3.699 170 HE2 TYR 551 HE2 TYR 551 -2.968 1.146 1.352 171 HH TYR 551 HH TYR 551 -5.337 2.353 1.471 172 H ARG 552 H ARG 552 2.254 6.531 3.697 173 HA ARG 552 HA ARG 552 0.255 8.444 4.493 174 HB2 ARG 552 HB2 ARG 552 1.524 9.506 6.160 175 HB3 ARG 552 HB3 ARG 552 1.961 7.832 6.436 176 HG2 ARG 552 HG2 ARG 552 4.137 8.282 5.994 177 HG3 ARG 552 HG3 ARG 552 3.722 8.883 4.401 178 HD2 ARG 552 HD2 ARG 552 3.155 11.121 5.418 179 HD3 ARG 552 HD3 ARG 552 3.639 10.512 6.988 180 HE ARG 552 HE ARG 552 5.661 10.271 4.840 181 HH11 ARG 552 HH22 ARG 552 4.487 12.127 7.620 182 HH12 ARG 552 HH21 ARG 552 5.990 12.953 7.861 183 HH22 ARG 552 HH1 ARG 552 7.832 12.487 6.400 184 HA PRO 553 HA PRO 553 2.100 10.727 1.265 185 HB2 PRO 553 HB2 PRO 553 1.789 13.337 2.013 186 HB3 PRO 553 HB3 PRO 553 0.491 12.373 1.339 187 HG2 PRO 553 HG2 PRO 553 0.923 13.197 4.145 188 HG3 PRO 553 HG3 PRO 553 -0.546 12.616 3.385 189 HD2 PRO 553 HD2 PRO 553 1.194 11.132 5.116 190 HD3 PRO 553 HD3 PRO 553 -0.209 10.518 4.264 191 H ALA 554 H ALA 554 3.849 12.065 0.414 192 HA ALA 554 HA ALA 554 6.246 11.423 1.340 193 HB1 ALA 554 HB1 ALA 554 5.128 13.764 -0.117 194 HB2 ALA 554 HB2 ALA 554 6.762 13.980 0.556 195 HB3 ALA 554 HB3 ALA 554 6.435 12.647 -0.576 196 H GLY 555 H GLY 555 4.774 14.626 2.247 197 HA2 GLY 555 HA2 GLY 555 5.905 14.264 4.945 198 HA3 GLY 555 HA3 GLY 555 6.249 15.716 4.026 199 H GLY 556 H GLY 556 3.640 13.759 5.529 200 HA2 GLY 556 HA2 GLY 556 2.094 16.235 5.879 201 HA3 GLY 556 HA3 GLY 556 1.330 14.855 5.115 202 H SER 557 H SER 557 0.827 12.959 6.338 203 HA SER 557 HA SER 557 1.695 12.765 9.022 204 HB2 SER 557 HB2 SER 557 -0.030 14.444 9.409 205 HB3 SER 557 HB3 SER 557 -1.195 13.548 8.454 206 HG SER 557 HG SER 557 -1.677 13.036 10.573 207 H TRP 558 H TRP 558 0.440 10.810 10.117 208 HA TRP 558 HA TRP 558 0.132 8.795 8.018 209 HB2 TRP 558 HB2 TRP 558 0.893 8.684 10.925 210 HB3 TRP 558 HB3 TRP 558 0.321 7.256 10.087 211 HD1 TRP 558 HD TRP 558 3.355 9.612 10.210 212 HE1 TRP 558 HE1 TRP 558 5.425 8.585 8.935 213 HE3 TRP 558 HE3 TRP 558 0.830 5.687 8.191 214 HZ2 TRP 558 HZ2 TRP 558 5.766 6.298 7.262 215 HZ3 TRP 558 HZ3 TRP 558 2.106 4.104 6.748 216 HH2 TRP 558 HH TRP 558 4.490 4.361 6.273 217 H THR 559 H THR 559 -1.766 7.498 7.920 218 HA THR 559 HA THR 559 -4.126 8.787 8.866 219 HB THR 559 HB THR 559 -3.657 6.071 7.525 220 HG1 THR 559 HG1 THR 559 -2.880 7.864 6.263 221 HG21 THR 559 HG21 THR 559 -6.105 7.840 7.950 222 HG22 THR 559 HG22 THR 559 -5.999 6.727 6.565 223 HG23 THR 559 HG23 THR 559 -5.955 6.087 8.225 224 H ALA 560 H ALA 560 -5.912 7.230 9.867 225 HA ALA 560 HA ALA 560 -4.998 6.731 12.492 226 HB1 ALA 560 HB1 ALA 560 -7.347 5.893 12.789 227 HB2 ALA 560 HB2 ALA 560 -7.255 7.510 12.052 228 HB3 ALA 560 HB3 ALA 560 -7.593 6.087 11.037 229 H ALA 561 H ALA 561 -3.631 5.072 12.957 230 HA ALA 561 HA ALA 561 -3.463 2.758 11.360 231 HB1 ALA 561 HB1 ALA 561 -2.242 2.053 13.677 232 HB2 ALA 561 HB2 ALA 561 -1.488 3.108 12.457 233 HB3 ALA 561 HB3 ALA 561 -2.281 3.821 13.882 234 HA PRO 562 HA PRO 562 -3.251 0.925 11.217 235 HB2 PRO 562 HB2 PRO 562 -4.588 -1.034 9.858 236 HB3 PRO 562 HB3 PRO 562 -3.538 -1.360 11.223 237 HG2 PRO 562 HG2 PRO 562 -6.492 -1.369 11.114 238 HG3 PRO 562 HG3 PRO 562 -5.435 -2.090 12.312 239 HD2 PRO 562 HD2 PRO 562 -6.938 0.338 12.587 240 HD3 PRO 562 HD3 PRO 562 -5.793 -0.321 13.738 241 H GLY 563 H GLY 563 -2.838 1.587 9.109 242 HA2 GLY 563 HA2 GLY 563 -4.122 3.705 8.127 243 HA3 GLY 563 HA3 GLY 563 -3.384 2.495 7.096 244 H VAL 564 H VAL 564 -4.672 1.038 5.910 245 HA VAL 564 HA VAL 564 -7.549 1.160 6.406 246 HB VAL 564 HB VAL 564 -6.558 1.257 3.592 247 HG11 VAL 564 HG11 VAL 564 -9.069 1.817 5.099 248 HG12 VAL 564 HG12 VAL 564 -8.747 2.810 3.657 249 HG13 VAL 564 HG13 VAL 564 -8.827 1.037 3.517 250 HG21 VAL 564 HG21 VAL 564 -5.338 3.079 4.765 251 HG22 VAL 564 HG22 VAL 564 -6.506 3.681 3.565 252 HG23 VAL 564 HG23 VAL 564 -6.900 3.745 5.299 253 H LYS 565 H LYS 565 -8.715 -0.685 5.390 254 HA LYS 565 HA LYS 565 -6.971 -3.019 5.417 255 HB2 LYS 565 HB2 LYS 565 -8.717 -3.297 6.941 256 HB3 LYS 565 HB3 LYS 565 -9.905 -2.554 5.889 257 HG2 LYS 565 HG2 LYS 565 -10.385 -4.533 4.870 258 HG3 LYS 565 HG3 LYS 565 -8.692 -4.888 4.593 259 HD2 LYS 565 HD2 LYS 565 -8.729 -6.420 6.260 260 HD3 LYS 565 HD3 LYS 565 -9.140 -5.168 7.414 261 HE2 LYS 565 HE2 LYS 565 -10.880 -6.873 7.498 262 HE3 LYS 565 HE3 LYS 565 -11.572 -5.429 6.787 263 HZ2 LYS 565 HZ2 LYS 565 -11.240 -6.411 4.585 264 HZ3 LYS 565 HZ3 LYS 565 -10.551 -7.741 5.224 265 H MET 566 H MET 566 -6.155 -3.655 3.497 266 HA MET 566 HA MET 566 -6.674 -2.761 1.092 267 HB2 MET 566 HB2 MET 566 -5.999 -5.543 2.107 268 HB3 MET 566 HB3 MET 566 -6.239 -5.330 0.384 269 HG2 MET 566 HG2 MET 566 -4.513 -3.227 1.540 270 HG3 MET 566 HG3 MET 566 -3.860 -4.834 1.789 271 HE1 MET 566 HE1 MET 566 -2.907 -2.447 -1.523 272 HE2 MET 566 HE2 MET 566 -3.158 -2.218 0.224 273 HE3 MET 566 HE3 MET 566 -1.869 -3.300 -0.355 274 H GLN 567 H GLN 567 -8.277 -2.762 -0.456 275 HA GLN 567 HA GLN 567 -10.629 -4.330 0.217 276 HB2 GLN 567 HB2 GLN 567 -10.313 -1.631 -0.495 277 HB3 GLN 567 HB3 GLN 567 -10.941 -2.370 -1.954 278 HG2 GLN 567 HG2 GLN 567 -12.490 -3.532 0.087 279 HG3 GLN 567 HG3 GLN 567 -12.291 -1.875 0.620 280 HE21 GLN 567 HE12 GLN 567 -12.628 -0.178 -1.070 281 HE22 GLN 567 HE22 GLN 567 -13.949 -0.374 -2.173 282 H ASP 568 H ASP 568 -11.195 -6.074 -1.024 283 HA ASP 568 HA ASP 568 -9.624 -7.254 -2.776 284 HB2 ASP 568 HB2 ASP 568 -12.325 -7.492 -1.978 285 HB3 ASP 568 HB3 ASP 568 -12.405 -7.417 -3.727 286 HD2 ASP 568 HD ASP 568 -12.124 -9.250 -4.701 287 H ALA 569 H ALA 569 -9.485 -7.360 -5.170 288 HA ALA 569 HA ALA 569 -9.962 -4.769 -6.379 289 HB1 ALA 569 HB1 ALA 569 -7.812 -6.286 -6.483 290 HB2 ALA 569 HB2 ALA 569 -8.710 -7.139 -7.762 291 HB3 ALA 569 HB3 ALA 569 -8.345 -5.405 -7.935 292 H GLU 570 H GLU 570 -10.000 -6.442 -9.055 293 HA GLU 570 HA GLU 570 -12.800 -7.216 -8.873 294 HB2 GLU 570 HB2 GLU 570 -13.225 -6.125 -11.070 295 HB3 GLU 570 HB3 GLU 570 -12.761 -4.966 -9.840 296 HG2 GLU 570 HG2 GLU 570 -10.290 -5.663 -10.882 297 HG3 GLU 570 HG3 GLU 570 -11.309 -5.795 -12.302 298 HE2 GLU 570 HE GLU 570 -12.008 -3.324 -13.106 299 H ILE 571 H ILE 571 -9.770 -8.299 -9.272 300 HA ILE 571 HA ILE 571 -10.089 -9.746 -11.737 301 HB ILE 571 HB ILE 571 -7.974 -9.712 -9.589 302 HG12 ILE 571 HG11 ILE 571 -8.142 -8.566 -12.385 303 HG13 ILE 571 HG12 ILE 571 -7.992 -7.689 -10.875 304 HG21 ILE 571 HG21 ILE 571 -7.132 -10.954 -12.056 305 HG22 ILE 571 HG22 ILE 571 -7.038 -11.560 -10.385 306 HG23 ILE 571 HG23 ILE 571 -8.510 -11.831 -11.349 307 HD11 ILE 571 HD11 ILE 571 -5.912 -9.294 -12.357 308 HD12 ILE 571 HD12 ILE 571 -5.771 -7.692 -11.595 309 HD13 ILE 571 HD13 ILE 571 -5.785 -9.159 -10.587 310 H SER 572 H SER 572 -8.990 -11.197 -8.645 311 HA SER 572 HA SER 572 -11.232 -12.519 -7.930 312 HB2 SER 572 HB2 SER 572 -10.242 -13.579 -10.413 313 HB3 SER 572 HB3 SER 572 -9.946 -14.785 -9.176 314 HG SER 572 HG SER 572 -12.327 -14.224 -8.549 315 H GLY 573 H GLY 573 -10.296 -12.277 -5.867 316 HA2 GLY 573 HA2 GLY 573 -9.225 -13.319 -4.105 317 HA3 GLY 573 HA3 GLY 573 -8.201 -14.201 -5.220 318 H TYR 574 H TYR 574 -8.433 -10.919 -6.185 319 HA TYR 574 HA TYR 574 -5.803 -10.406 -4.996 320 HB2 TYR 574 HB2 TYR 574 -7.390 -9.699 -7.481 321 HB3 TYR 574 HB3 TYR 574 -6.298 -8.457 -6.900 322 HD1 TYR 574 HD1 TYR 574 -6.378 -12.064 -7.889 323 HD2 TYR 574 HD2 TYR 574 -4.026 -8.513 -7.487 324 HE1 TYR 574 HE1 TYR 574 -4.439 -13.207 -9.071 325 HE2 TYR 574 HE2 TYR 574 -2.095 -9.667 -8.671 326 HH TYR 574 HH TYR 574 -1.600 -11.414 -10.020 327 H ALA 575 H ALA 575 -5.327 -8.148 -4.304 328 HA ALA 575 HA ALA 575 -7.756 -6.889 -3.221 329 HB1 ALA 575 HB1 ALA 575 -5.234 -7.756 -1.995 330 HB2 ALA 575 HB2 ALA 575 -5.601 -6.045 -1.670 331 HB3 ALA 575 HB3 ALA 575 -6.777 -7.306 -1.231 332 H LYS 576 H LYS 576 -7.697 -4.518 -3.067 333 HA LYS 576 HA LYS 576 -5.592 -3.172 -4.492 334 HB2 LYS 576 HB2 LYS 576 -6.726 -2.491 -6.371 335 HB3 LYS 576 HB3 LYS 576 -7.334 -4.125 -6.194 336 HG2 LYS 576 HG2 LYS 576 -9.358 -3.277 -5.031 337 HG3 LYS 576 HG3 LYS 576 -8.740 -1.639 -5.107 338 HD2 LYS 576 HD2 LYS 576 -8.878 -3.096 -7.721 339 HD3 LYS 576 HD3 LYS 576 -10.421 -2.716 -6.983 340 HE2 LYS 576 HE2 LYS 576 -9.592 -0.301 -6.721 341 HE3 LYS 576 HE3 LYS 576 -8.198 -0.744 -7.685 342 HZ2 LYS 576 HZ2 LYS 576 -9.531 -1.079 -9.560 343 HZ3 LYS 576 HZ3 LYS 576 -10.906 -1.297 -8.716 344 H ILE 577 H ILE 577 -5.329 -1.109 -3.711 345 HA ILE 577 HA ILE 577 -7.564 0.102 -2.305 346 HB ILE 577 HB ILE 577 -6.795 -0.123 -0.253 347 HG12 ILE 577 HG11 ILE 577 -5.198 1.676 -0.594 348 HG13 ILE 577 HG12 ILE 577 -4.521 0.445 0.454 349 HG21 ILE 577 HG21 ILE 577 -5.130 -1.929 0.180 350 HG22 ILE 577 HG22 ILE 577 -6.453 -2.404 -0.912 351 HG23 ILE 577 HG23 ILE 577 -4.844 -2.026 -1.574 352 HD11 ILE 577 HD11 ILE 577 -3.416 1.455 -1.969 353 HD12 ILE 577 HD12 ILE 577 -2.787 0.127 -0.964 354 HD13 ILE 577 HD13 ILE 577 -3.906 -0.223 -2.304 355 H THR 578 H THR 578 -7.406 2.401 -2.179 356 HA THR 578 HA THR 578 -5.199 3.497 -3.796 357 HB THR 578 HB THR 578 -8.147 4.327 -3.675 358 HG1 THR 578 HG1 THR 578 -6.408 3.169 -5.737 359 HG21 THR 578 HG21 THR 578 -7.610 5.834 -5.510 360 HG22 THR 578 HG22 THR 578 -6.455 6.193 -4.204 361 HG23 THR 578 HG23 THR 578 -5.943 5.215 -5.601 362 H VAL 579 H VAL 579 -4.143 5.310 -3.077 363 HA VAL 579 HA VAL 579 -5.145 6.446 -0.568 364 HB VAL 579 HB VAL 579 -2.306 5.589 -1.167 365 HG11 VAL 579 HG11 VAL 579 -1.773 6.359 1.095 366 HG12 VAL 579 HG12 VAL 579 -2.394 7.699 0.101 367 HG13 VAL 579 HG13 VAL 579 -3.446 6.927 1.311 368 HG21 VAL 579 HG21 VAL 579 -4.130 4.576 1.029 369 HG22 VAL 579 HG22 VAL 579 -3.989 3.783 -0.558 370 HG23 VAL 579 HG23 VAL 579 -2.564 3.915 0.501 371 H ASP 580 H ASP 580 -5.035 8.671 -0.465 372 HA ASP 580 HA ASP 580 -4.190 9.927 -2.910 373 HB2 ASP 580 HB2 ASP 580 -6.357 10.589 -2.006 374 HB3 ASP 580 HB3 ASP 580 -5.664 10.910 -0.429 375 HD2 ASP 580 HD ASP 580 -5.166 13.474 -0.315 376 H ILE 581 H ILE 581 -2.629 11.732 -2.901 377 HA ILE 581 HA ILE 581 -0.918 11.721 -0.513 378 HB ILE 581 HB ILE 581 0.718 12.647 -2.410 379 HG12 ILE 581 HG11 ILE 581 -1.196 10.821 -3.890 380 HG13 ILE 581 HG12 ILE 581 -0.902 12.517 -4.219 381 HG21 ILE 581 HG21 ILE 581 1.865 10.841 -1.812 382 HG22 ILE 581 HG22 ILE 581 0.428 10.312 -0.905 383 HG23 ILE 581 HG23 ILE 581 0.682 9.753 -2.576 384 HD11 ILE 581 HD11 ILE 581 0.671 11.787 -5.694 385 HD12 ILE 581 HD12 ILE 581 1.674 11.454 -4.262 386 HD13 ILE 581 HD13 ILE 581 0.694 10.155 -4.983 387 H GLY 582 H GLY 582 -2.990 13.549 -2.642 388 HA2 GLY 582 HA2 GLY 582 -3.364 15.777 -2.872 389 HA3 GLY 582 HA3 GLY 582 -3.389 15.710 -1.121 390 H SER 583 H SER 583 -1.425 16.463 -4.001 391 HA SER 583 HA SER 583 0.236 17.837 -4.286 392 HB2 SER 583 HB2 SER 583 -0.828 18.739 -1.711 393 HB3 SER 583 HB3 SER 583 0.904 18.994 -1.792 394 HG SER 583 HG SER 583 -0.637 20.723 -2.683 395 H ALA 584 H ALA 584 1.086 15.381 -4.251 396 HA ALA 584 HA ALA 584 3.647 15.497 -3.023 397 HB1 ALA 584 HB1 ALA 584 2.670 13.025 -2.024 398 HB2 ALA 584 HB2 ALA 584 3.193 14.448 -1.090 399 HB3 ALA 584 HB3 ALA 584 1.483 14.264 -1.551 400 H SER 585 H SER 585 5.082 13.983 -3.991 401 HA SER 585 HA SER 585 3.824 12.519 -6.178 402 HB2 SER 585 HB2 SER 585 5.920 14.449 -6.203 403 HB3 SER 585 HB3 SER 585 6.690 12.908 -6.526 404 HG SER 585 HG SER 585 4.667 12.704 -8.084 405 H GLN 586 H GLN 586 4.848 12.021 -3.142 406 HA GLN 586 HA GLN 586 5.669 9.345 -3.757 407 HB2 GLN 586 HB2 GLN 586 7.559 11.403 -2.801 408 HB3 GLN 586 HB3 GLN 586 7.524 9.985 -1.771 409 HG2 GLN 586 HG2 GLN 586 8.170 8.523 -3.536 410 HG3 GLN 586 HG3 GLN 586 7.685 9.656 -4.782 411 HE21 GLN 586 HE12 GLN 586 10.244 8.239 -4.091 412 HE22 GLN 586 HE22 GLN 586 11.470 9.464 -4.061 413 H LEU 587 H LEU 587 5.054 7.876 -2.126 414 HA LEU 587 HA LEU 587 4.246 8.961 0.436 415 HB2 LEU 587 HB2 LEU 587 2.169 9.262 -0.405 416 HB3 LEU 587 HB3 LEU 587 2.365 8.055 -1.661 417 HG LEU 587 HG LEU 587 2.319 6.853 1.000 418 HD11 LEU 587 HD11 LEU 587 -0.343 7.979 0.232 419 HD12 LEU 587 HD12 LEU 587 0.272 7.465 1.822 420 HD13 LEU 587 HD13 LEU 587 0.805 9.012 1.119 421 HD21 LEU 587 HD21 LEU 587 2.030 5.791 -1.317 422 HD22 LEU 587 HD22 LEU 587 0.934 5.265 -0.016 423 HD23 LEU 587 HD23 LEU 587 0.363 6.412 -1.251 424 H GLU 588 H GLU 588 4.513 7.481 2.097 425 HA GLU 588 HA GLU 588 5.770 5.023 1.252 426 HB2 GLU 588 HB2 GLU 588 6.231 4.889 3.821 427 HB3 GLU 588 HB3 GLU 588 7.097 6.082 2.874 428 HG2 GLU 588 HG2 GLU 588 4.452 6.957 3.981 429 HG3 GLU 588 HG3 GLU 588 5.722 6.684 5.157 430 HE2 GLU 588 HE GLU 588 7.594 9.361 4.267 431 H ALA 589 H ALA 589 5.052 2.928 1.916 432 HA ALA 589 HA ALA 589 2.495 2.848 3.326 433 HB1 ALA 589 HB1 ALA 589 2.926 1.177 0.846 434 HB2 ALA 589 HB2 ALA 589 1.404 1.629 1.649 435 HB3 ALA 589 HB3 ALA 589 2.310 2.841 0.713 436 H ALA 590 H ALA 590 2.157 0.885 4.494 437 HA ALA 590 HA ALA 590 4.420 -0.976 4.438 438 HB1 ALA 590 HB1 ALA 590 4.661 -0.909 6.794 439 HB2 ALA 590 HB2 ALA 590 4.530 0.799 6.311 440 HB3 ALA 590 HB3 ALA 590 3.124 -0.038 7.012 441 H PHE 591 H PHE 591 3.830 -3.098 5.525 442 HA PHE 591 HA PHE 591 0.947 -3.577 5.237 443 HB2 PHE 591 HB2 PHE 591 3.384 -4.757 4.003 444 HB3 PHE 591 HB3 PHE 591 2.391 -5.984 4.765 445 HD1 PHE 591 HD2 PHE 591 1.907 -3.003 2.556 446 HD2 PHE 591 HD1 PHE 591 0.839 -7.018 3.423 447 HE1 PHE 591 HE2 PHE 591 0.407 -3.039 0.544 448 HE2 PHE 591 HE1 PHE 591 -0.661 -7.054 1.411 449 HZ PHE 591 HZ PHE 591 -0.859 -5.064 -0.005 450 H ASN 592 H ASN 592 -0.042 -4.831 6.824 451 HA ASN 592 HA ASN 592 1.668 -6.208 8.680 452 HB2 ASN 592 HB2 ASN 592 -0.457 -4.433 9.896 453 HB3 ASN 592 HB3 ASN 592 1.031 -5.016 10.616 454 HD21 ASN 592 HD21 ASN 592 -0.452 -2.339 9.689 455 HD22 ASN 592 HD22 ASN 592 0.864 -1.330 9.188 456 H ASP 593 H ASP 593 0.333 -7.720 10.074 457 HA ASP 593 HA ASP 593 -1.911 -8.641 8.586 458 HB2 ASP 593 HB2 ASP 593 -1.946 -10.451 10.347 459 HB3 ASP 593 HB3 ASP 593 -0.407 -10.295 9.523 460 HD2 ASP 593 HD ASP 593 -1.122 -11.290 12.151 461 H GLY 594 H GLY 594 -1.189 -6.809 11.548 462 HA2 GLY 594 HA2 GLY 594 -3.872 -5.923 11.836 463 HA3 GLY 594 HA3 GLY 594 -3.499 -7.145 13.035 464 H ASN 595 H ASN 595 -0.873 -6.724 13.739 465 HA ASN 595 HA ASN 595 0.050 -4.202 13.943 466 HB2 ASN 595 HB2 ASN 595 -1.904 -3.429 15.144 467 HB3 ASN 595 HB3 ASN 595 -1.953 -4.864 16.147 468 HD21 ASN 595 HD21 ASN 595 -2.054 -3.307 17.886 469 HD22 ASN 595 HD22 ASN 595 -0.599 -2.640 18.548 470 H ASN 596 H ASN 596 1.653 -6.137 13.677 471 HA ASN 596 HA ASN 596 3.152 -6.397 15.951 472 HB2 ASN 596 HB2 ASN 596 0.955 -8.244 15.940 473 HB3 ASN 596 HB3 ASN 596 2.381 -9.188 15.555 474 HD21 ASN 596 HD21 ASN 596 2.771 -10.235 17.383 475 HD22 ASN 596 HD22 ASN 596 3.082 -9.518 18.928 476 H ASN 597 H ASN 597 1.924 -8.090 12.993 477 HA ASN 597 HA ASN 597 4.641 -8.877 12.374 478 HB2 ASN 597 HB2 ASN 597 1.993 -9.982 11.873 479 HB3 ASN 597 HB3 ASN 597 2.785 -9.712 10.333 480 HD21 ASN 597 HD21 ASN 597 2.229 -11.965 12.537 481 HD22 ASN 597 HD22 ASN 597 3.648 -12.952 12.436 482 H TRP 598 H TRP 598 5.368 -6.678 11.765 483 HA TRP 598 HA TRP 598 3.960 -5.440 9.537 484 HB2 TRP 598 HB2 TRP 598 6.167 -4.512 11.373 485 HB3 TRP 598 HB3 TRP 598 5.675 -3.616 9.950 486 HD1 TRP 598 HD TRP 598 3.834 -5.067 13.094 487 HE1 TRP 598 HE1 TRP 598 1.986 -3.380 13.933 488 HE3 TRP 598 HE3 TRP 598 4.570 -1.620 9.429 489 HZ2 TRP 598 HZ2 TRP 598 1.061 -0.850 12.991 490 HZ3 TRP 598 HZ3 TRP 598 3.152 0.431 9.462 491 HH2 TRP 598 HH TRP 598 1.446 0.843 11.163 492 H ASP 599 H ASP 599 4.678 -5.652 7.447 493 HA ASP 599 HA ASP 599 7.073 -7.211 7.092 494 HB2 ASP 599 HB2 ASP 599 5.163 -6.163 4.958 495 HB3 ASP 599 HB3 ASP 599 6.321 -7.467 4.782 496 HD2 ASP 599 HD ASP 599 4.433 -9.887 5.866 497 H SER 600 H SER 600 6.707 -4.130 7.806 498 HA SER 600 HA SER 600 7.490 -2.629 5.647 499 HB2 SER 600 HB2 SER 600 8.343 -1.008 7.404 500 HB3 SER 600 HB3 SER 600 6.689 -1.539 7.635 501 HG SER 600 HG SER 600 7.970 -1.587 9.615 502 H ASN 601 H ASN 601 9.811 -2.651 8.342 503 HA ASN 601 HA ASN 601 11.706 -4.336 7.402 504 HB2 ASN 601 HB2 ASN 601 11.483 -2.263 5.545 505 HB3 ASN 601 HB3 ASN 601 12.782 -1.684 6.568 506 HD21 ASN 601 HD21 ASN 601 14.690 -2.857 6.775 507 HD22 ASN 601 HD22 ASN 601 15.176 -4.068 5.636 508 H ASN 602 H ASN 602 10.652 -3.323 9.869 509 HA ASN 602 HA ASN 602 11.432 -2.877 11.862 510 HB2 ASN 602 HB2 ASN 602 13.857 -3.250 10.476 511 HB3 ASN 602 HB3 ASN 602 14.054 -1.666 11.199 512 HD21 ASN 602 HD21 ASN 602 15.660 -3.685 11.971 513 HD22 ASN 602 HD22 ASN 602 15.308 -4.205 13.586 514 H THR 603 H THR 603 12.832 -0.556 9.419 515 HA THR 603 HA THR 603 11.123 1.551 10.085 516 HB THR 603 HB THR 603 12.606 1.298 12.229 517 HG1 THR 603 HG1 THR 603 11.781 3.350 12.243 518 HG21 THR 603 HG21 THR 603 14.850 1.734 12.087 519 HG22 THR 603 HG22 THR 603 14.692 1.532 10.325 520 HG23 THR 603 HG23 THR 603 14.560 3.152 11.051 521 H LYS 604 H LYS 604 11.687 0.482 7.691 522 HA LYS 604 HA LYS 604 12.962 2.708 6.396 523 HB2 LYS 604 HB2 LYS 604 14.363 0.143 6.752 524 HB3 LYS 604 HB3 LYS 604 14.268 0.668 5.083 525 HG2 LYS 604 HG2 LYS 604 14.967 2.804 7.058 526 HG3 LYS 604 HG3 LYS 604 16.170 1.545 6.858 527 HD2 LYS 604 HD2 LYS 604 15.683 1.975 4.246 528 HD3 LYS 604 HD3 LYS 604 15.152 3.538 4.835 529 HE2 LYS 604 HE2 LYS 604 17.830 2.397 5.709 530 HE3 LYS 604 HE3 LYS 604 17.678 3.221 4.170 531 HZ2 LYS 604 HZ2 LYS 604 16.429 4.761 6.192 532 HZ3 LYS 604 HZ3 LYS 604 17.948 4.411 6.663 533 H ASN 605 H ASN 605 10.409 2.510 6.213 534 HA ASN 605 HA ASN 605 9.266 0.574 4.684 535 HB2 ASN 605 HB2 ASN 605 8.534 3.535 4.488 536 HB3 ASN 605 HB3 ASN 605 7.455 2.166 4.313 537 HD21 ASN 605 HD21 ASN 605 8.154 4.585 6.273 538 HD22 ASN 605 HD22 ASN 605 7.815 3.921 7.836 539 H TYR 606 H TYR 606 8.065 1.901 2.426 540 HA TYR 606 HA TYR 606 10.409 2.490 0.747 541 HB2 TYR 606 HB2 TYR 606 7.791 0.969 0.160 542 HB3 TYR 606 HB3 TYR 606 9.053 1.249 -1.024 543 HD1 TYR 606 HD2 TYR 606 11.417 0.279 -0.468 544 HD2 TYR 606 HD1 TYR 606 7.808 -0.988 1.448 545 HE1 TYR 606 HE2 TYR 606 12.539 -1.895 0.224 546 HE2 TYR 606 HE1 TYR 606 8.942 -3.158 2.133 547 HH TYR 606 HH TYR 606 11.850 -4.174 0.786 548 H LEU 607 H LEU 607 9.819 3.715 -1.290 549 HA LEU 607 HA LEU 607 7.679 5.616 -0.638 550 HB2 LEU 607 HB2 LEU 607 9.302 6.756 -2.581 551 HB3 LEU 607 HB3 LEU 607 9.226 7.160 -0.877 552 HG LEU 607 HG LEU 607 11.093 5.086 -2.061 553 HD11 LEU 607 HD11 LEU 607 11.647 7.296 -2.919 554 HD12 LEU 607 HD12 LEU 607 11.660 7.956 -1.265 555 HD13 LEU 607 HD13 LEU 607 12.874 6.748 -1.751 556 HD21 LEU 607 HD21 LEU 607 11.551 4.473 0.019 557 HD22 LEU 607 HD22 LEU 607 11.957 6.151 0.452 558 HD23 LEU 607 HD23 LEU 607 10.282 5.570 0.613 559 H PHE 608 H PHE 608 5.966 5.831 -2.010 560 HA PHE 608 HA PHE 608 6.229 4.516 -4.619 561 HB2 PHE 608 HB2 PHE 608 3.772 4.611 -2.773 562 HB3 PHE 608 HB3 PHE 608 3.913 3.678 -4.250 563 HD1 PHE 608 HD2 PHE 608 5.963 1.964 -4.243 564 HD2 PHE 608 HD1 PHE 608 4.065 3.503 -0.774 565 HE1 PHE 608 HE2 PHE 608 6.783 -0.006 -2.921 566 HE2 PHE 608 HE1 PHE 608 4.885 1.533 0.548 567 HZ PHE 608 HZ PHE 608 6.234 -0.198 -0.541 568 H SER 609 H SER 609 5.122 5.511 -6.361 569 HA SER 609 HA SER 609 4.103 8.155 -5.675 570 HB2 SER 609 HB2 SER 609 6.135 8.263 -7.042 571 HB3 SER 609 HB3 SER 609 5.458 7.151 -8.215 572 HG SER 609 HG SER 609 4.916 9.009 -9.186 573 H THR 610 H THR 610 2.484 8.978 -7.497 574 HA THR 610 HA THR 610 0.258 7.294 -7.453 575 HB THR 610 HB THR 610 -0.654 9.047 -9.023 576 HG1 THR 610 HG1 THR 610 0.881 10.245 -10.111 577 HG21 THR 610 HG21 THR 610 -0.421 9.612 -6.553 578 HG22 THR 610 HG22 THR 610 1.191 10.278 -6.911 579 HG23 THR 610 HG23 THR 610 -0.259 11.028 -7.619 580 H GLY 611 H GLY 611 -0.983 6.564 -9.446 581 HA2 GLY 611 HA2 GLY 611 -0.754 5.858 -11.750 582 HA3 GLY 611 HA3 GLY 611 0.902 5.399 -11.406 583 H THR 612 H THR 612 1.115 3.207 -11.379 584 HA THR 612 HA THR 612 -0.934 1.695 -9.902 585 HB THR 612 HB THR 612 0.462 0.567 -12.345 586 HG1 THR 612 HG1 THR 612 -0.464 2.371 -13.303 587 HG21 THR 612 HG21 THR 612 -2.305 0.285 -11.064 588 HG22 THR 612 HG22 THR 612 -1.867 -0.437 -12.631 589 HG23 THR 612 HG23 THR 612 -1.037 -0.962 -11.146 590 H SER 613 H SER 613 -0.213 0.238 -8.434 591 HA SER 613 HA SER 613 2.586 -0.472 -8.579 592 HB2 SER 613 HB2 SER 613 1.899 1.583 -6.942 593 HB3 SER 613 HB3 SER 613 1.556 0.250 -5.857 594 HG SER 613 HG SER 613 4.055 0.398 -7.288 595 H THR 614 H THR 614 3.091 -2.385 -7.143 596 HA THR 614 HA THR 614 0.680 -3.862 -6.350 597 HB THR 614 HB THR 614 3.012 -4.954 -8.013 598 HG1 THR 614 HG1 THR 614 1.608 -3.598 -9.267 599 HG21 THR 614 HG21 THR 614 0.746 -6.572 -8.309 600 HG22 THR 614 HG22 THR 614 2.159 -6.967 -7.301 601 HG23 THR 614 HG23 THR 614 0.734 -6.189 -6.571 602 H TYR 615 H TYR 615 0.795 -4.816 -4.396 603 HA TYR 615 HA TYR 615 3.433 -4.722 -3.101 604 HB2 TYR 615 HB2 TYR 615 0.813 -3.755 -2.470 605 HB3 TYR 615 HB3 TYR 615 0.986 -5.187 -1.476 606 HD1 TYR 615 HD1 TYR 615 2.828 -5.321 0.216 607 HD2 TYR 615 HD2 TYR 615 2.025 -1.737 -1.979 608 HE1 TYR 615 HE1 TYR 615 4.165 -3.975 1.909 609 HE2 TYR 615 HE2 TYR 615 3.364 -0.404 -0.279 610 HH TYR 615 HH TYR 615 3.928 -1.102 2.515 611 H THR 616 H THR 616 4.433 -6.659 -2.910 612 HA THR 616 HA THR 616 2.703 -9.016 -2.531 613 HB THR 616 HB THR 616 5.322 -8.715 -4.095 614 HG1 THR 616 HG1 THR 616 3.318 -7.940 -5.110 615 HG21 THR 616 HG21 THR 616 5.425 -11.002 -4.270 616 HG22 THR 616 HG22 THR 616 4.370 -11.036 -2.836 617 HG23 THR 616 HG23 THR 616 3.661 -11.136 -4.466 618 HA PRO 617 HA PRO 617 5.159 -8.781 1.154 619 HB2 PRO 617 HB2 PRO 617 3.229 -9.689 2.863 620 HB3 PRO 617 HB3 PRO 617 3.481 -7.990 2.518 621 HG2 PRO 617 HG2 PRO 617 1.335 -9.779 1.552 622 HG3 PRO 617 HG3 PRO 617 1.376 -8.027 1.576 623 HD2 PRO 617 HD2 PRO 617 1.771 -9.722 -0.704 624 HD3 PRO 617 HD3 PRO 617 1.927 -7.977 -0.656 625 H GLY 618 H GLY 618 5.817 -10.421 2.842 626 HA2 GLY 618 HA2 GLY 618 6.284 -12.880 1.399 627 HA3 GLY 618 HA3 GLY 618 6.916 -12.415 2.966 628 H SER 619 H SER 619 6.383 -14.647 3.661 629 HA SER 619 HA SER 619 3.539 -14.837 4.283 630 HB2 SER 619 HB2 SER 619 5.407 -16.819 3.083 631 HB3 SER 619 HB3 SER 619 4.414 -17.454 4.380 632 HG SER 619 HG SER 619 3.210 -15.885 2.294 633 H ASN 620 H ASN 620 6.896 -15.881 5.200 634 HA ASN 620 HA ASN 620 5.972 -16.280 7.900 635 HB2 ASN 620 HB2 ASN 620 8.397 -17.023 6.289 636 HB3 ASN 620 HB3 ASN 620 8.681 -16.746 7.996 637 HD21 ASN 620 HD21 ASN 620 8.083 -18.207 9.465 638 HD22 ASN 620 HD22 ASN 620 7.256 -19.693 9.138 639 H GLY 621 H GLY 621 5.559 -13.746 7.813 640 HA2 GLY 621 HA2 GLY 621 6.208 -11.609 8.209 641 HA3 GLY 621 HA3 GLY 621 7.120 -12.366 9.500 642 H ALA 622 H ALA 622 7.499 -12.344 5.880 643 HA ALA 622 HA ALA 622 10.204 -11.280 6.324 644 HB1 ALA 622 HB1 ALA 622 10.893 -12.651 4.365 645 HB2 ALA 622 HB2 ALA 622 10.301 -13.652 5.713 646 HB3 ALA 622 HB3 ALA 622 9.258 -13.352 4.302 647 H ALA 623 H ALA 623 10.030 -9.149 5.767 648 HA ALA 623 HA ALA 623 8.198 -7.910 4.278 649 HB1 ALA 623 HB1 ALA 623 9.704 -6.130 4.154 650 HB2 ALA 623 HB2 ALA 623 10.381 -7.087 5.494 651 HB3 ALA 623 HB3 ALA 623 11.101 -7.197 3.870 652 H GLY 624 H GLY 624 7.514 -7.815 2.177 653 HA2 GLY 624 HA2 GLY 624 8.868 -9.574 0.275 654 HA3 GLY 624 HA3 GLY 624 7.263 -8.883 0.134 655 H THR 625 H THR 625 7.297 -7.704 -1.752 656 HA THR 625 HA THR 625 9.014 -5.381 -1.808 657 HB THR 625 HB THR 625 9.123 -7.117 -4.272 658 HG1 THR 625 HG1 THR 625 11.062 -8.091 -3.074 659 HG21 THR 625 HG21 THR 625 11.551 -6.300 -4.141 660 HG22 THR 625 HG22 THR 625 10.348 -5.007 -4.362 661 HG23 THR 625 HG23 THR 625 11.058 -5.295 -2.756 662 H ILE 626 H ILE 626 8.497 -4.049 -3.875 663 HA ILE 626 HA ILE 626 5.632 -4.392 -4.430 664 HB ILE 626 HB ILE 626 6.737 -1.661 -4.488 665 HG12 ILE 626 HG11 ILE 626 6.207 -1.688 -1.867 666 HG13 ILE 626 HG12 ILE 626 6.795 -3.332 -2.013 667 HG21 ILE 626 HG21 ILE 626 4.200 -2.938 -3.437 668 HG22 ILE 626 HG22 ILE 626 4.554 -1.194 -3.379 669 HG23 ILE 626 HG23 ILE 626 4.410 -2.022 -4.949 670 HD11 ILE 626 HD11 ILE 626 8.418 -1.235 -3.405 671 HD12 ILE 626 HD12 ILE 626 8.443 -1.212 -1.626 672 HD13 ILE 626 HD13 ILE 626 8.952 -2.674 -2.504 673 H ARG 627 H ARG 627 5.018 -4.311 -6.562 674 HA ARG 627 HA ARG 627 7.190 -3.712 -8.408 675 HB2 ARG 627 HB2 ARG 627 5.668 -6.099 -8.125 676 HB3 ARG 627 HB3 ARG 627 5.036 -5.333 -9.569 677 HG2 ARG 627 HG2 ARG 627 7.999 -5.269 -9.398 678 HG3 ARG 627 HG3 ARG 627 7.339 -6.891 -9.452 679 HD2 ARG 627 HD1 ARG 627 6.354 -4.786 -11.409 680 HD3 ARG 627 HD2 ARG 627 7.857 -5.635 -11.716 681 HE ARG 627 HE ARG 627 5.172 -6.738 -11.931 682 HH11 ARG 627 HH22 ARG 627 8.545 -7.596 -11.267 683 HH12 ARG 627 HH21 ARG 627 8.351 -9.247 -11.756 684 HH22 ARG 627 HH1 ARG 627 6.208 -10.000 -12.522 685 H THR 628 H THR 628 6.812 -1.949 -9.721 686 HA THR 628 HA THR 628 4.230 -0.691 -9.647 687 HB THR 628 HB THR 628 6.131 0.398 -11.580 688 HG1 THR 628 HG1 THR 628 7.953 -0.128 -10.443 689 HG21 THR 628 HG21 THR 628 4.415 1.394 -9.627 690 HG22 THR 628 HG22 THR 628 6.008 1.584 -8.855 691 HG23 THR 628 HG23 THR 628 5.686 2.345 -10.431 692 H GLY 629 H GLY 629 2.829 -0.262 -11.404 693 HA2 GLY 629 HA2 GLY 629 2.285 -0.517 -13.706 694 HA3 GLY 629 HA3 GLY 629 3.265 -1.968 -13.771 695 H ALA 630 H ALA 630 0.269 -1.338 -14.288 696 HA ALA 630 HA ALA 630 -1.255 -2.569 -12.303 697 HB1 ALA 630 HB1 ALA 630 -1.708 -1.229 -14.667 698 HB2 ALA 630 HB2 ALA 630 -2.175 -2.892 -15.094 699 HB3 ALA 630 HB3 ALA 630 -2.955 -2.074 -13.720 700 HA PRO 631 HA PRO 631 0.103 -6.669 -12.993 701 HB2 PRO 631 HB2 PRO 631 -1.228 -7.826 -10.905 702 HB3 PRO 631 HB3 PRO 631 0.345 -7.071 -10.739 703 HG2 PRO 631 HG2 PRO 631 -2.298 -6.055 -9.890 704 HG3 PRO 631 HG3 PRO 631 -0.706 -5.540 -9.370 705 HD2 PRO 631 HD2 PRO 631 -2.433 -4.179 -11.211 706 HD3 PRO 631 HD3 PRO 631 -0.796 -3.726 -10.780 707 H SER 632 H SER 632 -0.803 -8.890 -13.379 708 HA SER 632 HA SER 632 -3.546 -9.074 -13.799 709 HB2 SER 632 HB2 SER 632 -2.402 -7.578 -15.807 710 HB3 SER 632 HB3 SER 632 -2.268 -9.187 -16.489 711 HG SER 632 HG SER 632 -4.769 -8.599 -15.318 712 H GLY 633 H GLY 633 -2.838 -10.984 -12.535 713 HA2 GLY 633 HA2 GLY 633 -1.966 -13.066 -12.263 714 HA3 GLY 633 HA3 GLY 633 -2.831 -13.354 -13.760 Start of MODEL 19 1 H1 GLY 530 H GLY 530 -12.279 23.255 -8.736 2 HA2 GLY 530 HA2 GLY 530 -10.042 23.881 -9.816 3 HA3 GLY 530 HA3 GLY 530 -10.305 24.349 -8.148 4 H GLY 531 H GLY 531 -7.733 24.227 -8.633 5 HA2 GLY 531 HA2 GLY 531 -5.765 23.186 -8.268 6 HA3 GLY 531 HA3 GLY 531 -6.603 22.456 -6.913 7 H THR 532 H THR 532 -4.930 20.689 -7.492 8 HA THR 532 HA THR 532 -6.329 18.641 -8.937 9 HB THR 532 HB THR 532 -3.593 19.561 -9.957 10 HG1 THR 532 HG1 THR 532 -6.339 19.848 -10.960 11 HG21 THR 532 HG21 THR 532 -5.348 18.166 -11.824 12 HG22 THR 532 HG22 THR 532 -3.703 17.722 -11.309 13 HG23 THR 532 HG23 THR 532 -5.109 17.170 -10.368 14 H THR 533 H THR 533 -5.640 16.553 -8.395 15 HA THR 533 HA THR 533 -3.352 16.388 -6.583 16 HB THR 533 HB THR 533 -4.728 15.226 -4.895 17 HG1 THR 533 HG1 THR 533 -6.834 15.867 -6.839 18 HG21 THR 533 HG21 THR 533 -6.201 17.735 -5.862 19 HG22 THR 533 HG22 THR 533 -6.339 17.003 -4.245 20 HG23 THR 533 HG23 THR 533 -4.803 17.740 -4.760 21 H ASN 534 H ASN 534 -2.537 14.199 -6.297 22 HA ASN 534 HA ASN 534 -3.220 12.626 -8.648 23 HB2 ASN 534 HB2 ASN 534 -0.696 13.379 -7.364 24 HB3 ASN 534 HB3 ASN 534 -0.822 11.632 -7.441 25 HD21 ASN 534 HD21 ASN 534 1.004 13.297 -8.855 26 HD22 ASN 534 HD22 ASN 534 0.740 13.094 -10.555 27 H LYS 535 H LYS 535 -2.643 10.112 -8.165 28 HA LYS 535 HA LYS 535 -3.350 9.423 -5.422 29 HB2 LYS 535 HB2 LYS 535 -4.913 8.589 -7.877 30 HB3 LYS 535 HB3 LYS 535 -5.005 7.735 -6.350 31 HG2 LYS 535 HG2 LYS 535 -6.303 9.351 -5.391 32 HG3 LYS 535 HG3 LYS 535 -5.292 10.648 -5.997 33 HD2 LYS 535 HD2 LYS 535 -7.242 11.063 -7.203 34 HD3 LYS 535 HD3 LYS 535 -6.399 10.030 -8.340 35 HE2 LYS 535 HE2 LYS 535 -8.504 9.000 -8.275 36 HE3 LYS 535 HE3 LYS 535 -7.633 8.056 -7.083 37 HZ2 LYS 535 HZ2 LYS 535 -9.613 10.189 -6.592 38 HZ3 LYS 535 HZ3 LYS 535 -9.594 8.675 -5.992 39 H VAL 536 H VAL 536 -2.813 7.158 -4.894 40 HA VAL 536 HA VAL 536 -0.855 6.056 -6.786 41 HB VAL 536 HB VAL 536 0.299 5.264 -4.621 42 HG11 VAL 536 HG11 VAL 536 1.587 6.705 -5.869 43 HG12 VAL 536 HG12 VAL 536 0.360 7.995 -5.854 44 HG13 VAL 536 HG13 VAL 536 1.344 7.686 -4.404 45 HG21 VAL 536 HG21 VAL 536 -0.622 7.729 -3.279 46 HG22 VAL 536 HG22 VAL 536 -1.838 6.433 -3.382 47 HG23 VAL 536 HG23 VAL 536 -0.265 6.118 -2.611 48 H THR 537 H THR 537 -1.464 4.082 -7.492 49 HA THR 537 HA THR 537 -3.378 2.600 -5.832 50 HB THR 537 HB THR 537 -2.693 2.662 -8.806 51 HG1 THR 537 HG1 THR 537 -5.022 3.210 -8.735 52 HG21 THR 537 HG21 THR 537 -4.192 0.593 -7.171 53 HG22 THR 537 HG22 THR 537 -4.806 1.035 -8.782 54 HG23 THR 537 HG23 THR 537 -3.170 0.355 -8.609 55 H VAL 538 H VAL 538 -2.748 0.887 -4.688 56 HA VAL 538 HA VAL 538 -0.330 -0.495 -5.618 57 HB VAL 538 HB VAL 538 -0.952 -0.286 -2.707 58 HG11 VAL 538 HG11 VAL 538 0.849 -1.763 -3.546 59 HG12 VAL 538 HG12 VAL 538 1.660 -0.346 -4.255 60 HG13 VAL 538 HG13 VAL 538 1.467 -0.471 -2.490 61 HG21 VAL 538 HG21 VAL 538 -0.975 1.977 -2.869 62 HG22 VAL 538 HG22 VAL 538 0.790 1.769 -2.955 63 HG23 VAL 538 HG23 VAL 538 -0.154 1.983 -4.448 64 H TYR 539 H TYR 539 -0.584 -2.666 -5.878 65 HA TYR 539 HA TYR 539 -3.118 -3.785 -4.910 66 HB2 TYR 539 HB2 TYR 539 -1.169 -4.156 -7.210 67 HB3 TYR 539 HB3 TYR 539 -2.025 -5.591 -6.681 68 HD1 TYR 539 HD2 TYR 539 -2.757 -2.018 -7.585 69 HD2 TYR 539 HD1 TYR 539 -4.040 -6.098 -7.716 70 HE1 TYR 539 HE2 TYR 539 -4.763 -1.350 -8.997 71 HE2 TYR 539 HE1 TYR 539 -6.041 -5.416 -9.128 72 HH TYR 539 HH TYR 539 -6.757 -2.031 -9.723 73 H TYR 540 H TYR 540 -3.146 -5.408 -3.411 74 HA TYR 540 HA TYR 540 -0.524 -6.522 -2.675 75 HB2 TYR 540 HB2 TYR 540 -1.724 -5.019 -1.004 76 HB3 TYR 540 HB3 TYR 540 -3.145 -6.037 -1.125 77 HD1 TYR 540 HD1 TYR 540 0.486 -6.214 -0.211 78 HD2 TYR 540 HD2 TYR 540 -3.449 -7.776 0.406 79 HE1 TYR 540 HE1 TYR 540 1.350 -7.657 1.695 80 HE2 TYR 540 HE2 TYR 540 -2.572 -9.214 2.310 81 HH TYR 540 HH TYR 540 -0.843 -9.851 3.432 82 H LYS 541 H LYS 541 -0.300 -8.748 -2.489 83 HA LYS 541 HA LYS 541 -2.486 -10.276 -3.625 84 HB2 LYS 541 HB2 LYS 541 -0.289 -10.609 -4.574 85 HB3 LYS 541 HB3 LYS 541 0.401 -10.952 -3.001 86 HG2 LYS 541 HG2 LYS 541 -0.402 -13.104 -2.965 87 HG3 LYS 541 HG3 LYS 541 -1.943 -12.652 -3.668 88 HD2 LYS 541 HD2 LYS 541 -1.008 -12.615 -5.914 89 HD3 LYS 541 HD3 LYS 541 0.630 -12.745 -5.303 90 HE2 LYS 541 HE2 LYS 541 0.498 -15.011 -5.260 91 HE3 LYS 541 HE3 LYS 541 -0.935 -14.955 -4.254 92 HZ2 LYS 541 HZ2 LYS 541 -1.978 -15.736 -6.082 93 HZ3 LYS 541 HZ3 LYS 541 -1.875 -14.235 -6.706 94 H LYS 542 H LYS 542 -4.031 -11.086 -2.320 95 HA LYS 542 HA LYS 542 -3.348 -11.517 0.477 96 HB2 LYS 542 HB2 LYS 542 -5.305 -10.381 0.545 97 HB3 LYS 542 HB3 LYS 542 -5.802 -10.899 -1.053 98 HG2 LYS 542 HG2 LYS 542 -6.718 -12.924 -0.271 99 HG3 LYS 542 HG3 LYS 542 -5.695 -12.963 1.151 100 HD2 LYS 542 HD2 LYS 542 -8.038 -12.422 1.760 101 HD3 LYS 542 HD3 LYS 542 -6.964 -11.097 2.165 102 HE2 LYS 542 HE2 LYS 542 -7.716 -9.755 0.350 103 HE3 LYS 542 HE3 LYS 542 -8.352 -11.129 -0.533 104 HZ2 LYS 542 HZ2 LYS 542 -9.554 -10.652 2.077 105 HZ3 LYS 542 HZ3 LYS 542 -9.889 -9.534 0.941 106 H GLY 543 H GLY 543 -3.546 -14.974 0.691 107 HA2 GLY 543 HA2 GLY 543 -2.282 -12.916 1.833 108 HA3 GLY 543 HA3 GLY 543 -3.944 -12.366 1.906 109 H PHE 544 H PHE 544 -4.572 -12.620 4.022 110 HA PHE 544 HA PHE 544 -4.093 -15.272 5.190 111 HB2 PHE 544 HB2 PHE 544 -3.944 -12.409 6.158 112 HB3 PHE 544 HB3 PHE 544 -4.587 -13.566 7.306 113 HD1 PHE 544 HD2 PHE 544 -3.138 -15.704 7.702 114 HD2 PHE 544 HD1 PHE 544 -1.648 -12.111 6.005 115 HE1 PHE 544 HE2 PHE 544 -0.803 -16.374 8.335 116 HE2 PHE 544 HE1 PHE 544 0.687 -12.781 6.638 117 HZ PHE 544 HZ PHE 544 1.081 -14.904 7.795 118 H ASN 545 H ASN 545 -6.178 -12.439 6.070 119 HA ASN 545 HA ASN 545 -8.505 -13.962 5.395 120 HB2 ASN 545 HB2 ASN 545 -9.307 -13.230 7.909 121 HB3 ASN 545 HB3 ASN 545 -8.645 -14.811 7.545 122 HD21 ASN 545 HD21 ASN 545 -6.464 -15.266 7.975 123 HD22 ASN 545 HD22 ASN 545 -5.543 -14.367 9.135 124 H SER 546 H SER 546 -7.136 -11.132 7.231 125 HA SER 546 HA SER 546 -8.407 -9.304 5.530 126 HB2 SER 546 HB2 SER 546 -9.824 -10.096 8.006 127 HB3 SER 546 HB3 SER 546 -9.582 -8.366 7.873 128 HG SER 546 HG SER 546 -11.514 -9.703 6.735 129 HA PRO 547 HA PRO 547 -4.823 -7.991 8.072 130 HB2 PRO 547 HB2 PRO 547 -2.944 -7.824 6.094 131 HB3 PRO 547 HB3 PRO 547 -3.127 -9.228 7.127 132 HG2 PRO 547 HG2 PRO 547 -3.937 -8.885 4.305 133 HG3 PRO 547 HG3 PRO 547 -3.718 -10.369 5.211 134 HD2 PRO 547 HD2 PRO 547 -6.212 -9.129 4.524 135 HD3 PRO 547 HD3 PRO 547 -5.988 -10.548 5.527 136 H TYR 548 H TYR 548 -3.999 -5.914 8.424 137 HA TYR 548 HA TYR 548 -5.316 -3.992 6.643 138 HB2 TYR 548 HB2 TYR 548 -4.592 -4.304 9.540 139 HB3 TYR 548 HB3 TYR 548 -4.250 -2.702 8.915 140 HD1 TYR 548 HD1 TYR 548 -6.120 -1.315 7.956 141 HD2 TYR 548 HD2 TYR 548 -6.834 -5.013 9.985 142 HE1 TYR 548 HE1 TYR 548 -8.561 -0.680 8.269 143 HE2 TYR 548 HE2 TYR 548 -9.274 -4.366 10.291 144 HH TYR 548 HH TYR 548 -10.378 -1.217 9.792 145 H ILE 549 H ILE 549 -4.122 -1.929 6.204 146 HA ILE 549 HA ILE 549 -1.222 -2.361 6.182 147 HB ILE 549 HB ILE 549 -1.554 -2.803 3.998 148 HG12 ILE 549 HG11 ILE 549 -1.873 0.118 3.475 149 HG13 ILE 549 HG12 ILE 549 -0.496 -0.381 4.438 150 HG21 ILE 549 HG21 ILE 549 -4.093 -1.204 4.239 151 HG22 ILE 549 HG22 ILE 549 -3.429 -1.651 2.649 152 HG23 ILE 549 HG23 ILE 549 -3.870 -2.919 3.817 153 HD11 ILE 549 HD11 ILE 549 0.581 -1.201 2.619 154 HD12 ILE 549 HD12 ILE 549 -0.841 -2.157 2.135 155 HD13 ILE 549 HD13 ILE 549 -0.696 -0.456 1.628 156 H HIS 550 H HIS 550 0.045 -0.509 6.540 157 HA HIS 550 HA HIS 550 -1.513 1.894 7.155 158 HB2 HIS 550 HB2 HIS 550 -0.672 0.526 9.156 159 HB3 HIS 550 HB3 HIS 550 0.941 1.026 8.689 160 HD1 HIS 550 HD1 HIS 550 -1.372 3.744 7.967 161 HD2 HIS 550 HE2 HIS 550 0.660 2.345 11.359 162 HE1 HIS 550 HE1 HIS 550 -1.394 5.659 9.653 163 H TYR 551 H TYR 551 -0.980 3.519 5.793 164 HA TYR 551 HA TYR 551 1.818 3.626 4.889 165 HB2 TYR 551 HB2 TYR 551 0.348 4.806 2.879 166 HB3 TYR 551 HB3 TYR 551 0.718 3.093 2.874 167 HD1 TYR 551 HD1 TYR 551 -1.835 5.305 4.534 168 HD2 TYR 551 HD2 TYR 551 -1.064 1.735 2.306 169 HE1 TYR 551 HE1 TYR 551 -4.319 4.763 4.529 170 HE2 TYR 551 HE2 TYR 551 -3.550 1.205 2.309 171 HH TYR 551 HH TYR 551 -5.605 2.227 2.562 172 H ARG 552 H ARG 552 2.512 5.842 4.199 173 HA ARG 552 HA ARG 552 0.866 7.932 5.303 174 HB2 ARG 552 HB2 ARG 552 2.156 8.180 7.163 175 HB3 ARG 552 HB3 ARG 552 3.218 6.890 6.635 176 HG2 ARG 552 HG2 ARG 552 4.570 8.449 5.313 177 HG3 ARG 552 HG3 ARG 552 3.431 9.752 5.594 178 HD2 ARG 552 HD2 ARG 552 4.546 10.312 7.489 179 HD3 ARG 552 HD3 ARG 552 4.154 8.750 8.179 180 HE ARG 552 HE ARG 552 6.278 8.143 6.535 181 HH11 ARG 552 HH22 ARG 552 5.820 10.603 9.044 182 HH12 ARG 552 HH21 ARG 552 7.496 10.652 9.476 183 HH22 ARG 552 HH1 ARG 552 9.048 9.235 8.324 184 HA PRO 553 HA PRO 553 2.564 10.028 1.876 185 HB2 PRO 553 HB2 PRO 553 2.126 12.642 2.542 186 HB3 PRO 553 HB3 PRO 553 0.879 11.597 1.891 187 HG2 PRO 553 HG2 PRO 553 1.253 12.525 4.673 188 HG3 PRO 553 HG3 PRO 553 -0.181 11.852 3.923 189 HD2 PRO 553 HD2 PRO 553 1.616 10.506 5.708 190 HD3 PRO 553 HD3 PRO 553 0.249 9.801 4.868 191 H ALA 554 H ALA 554 4.322 11.206 0.964 192 HA ALA 554 HA ALA 554 6.704 10.772 1.990 193 HB1 ALA 554 HB1 ALA 554 5.729 13.298 0.606 194 HB2 ALA 554 HB2 ALA 554 7.448 12.901 0.841 195 HB3 ALA 554 HB3 ALA 554 6.417 11.843 -0.152 196 H GLY 555 H GLY 555 5.301 14.081 2.503 197 HA2 GLY 555 HA2 GLY 555 6.432 13.994 5.237 198 HA3 GLY 555 HA3 GLY 555 6.549 15.395 4.191 199 H GLY 556 H GLY 556 4.321 13.317 6.067 200 HA2 GLY 556 HA2 GLY 556 2.497 15.596 6.310 201 HA3 GLY 556 HA3 GLY 556 1.856 14.099 5.662 202 H SER 557 H SER 557 1.686 12.207 7.005 203 HA SER 557 HA SER 557 2.696 12.222 9.621 204 HB2 SER 557 HB2 SER 557 0.921 13.804 10.107 205 HB3 SER 557 HB3 SER 557 -0.262 12.839 9.246 206 HG SER 557 HG SER 557 0.138 12.735 11.808 207 H TRP 558 H TRP 558 1.235 10.335 10.908 208 HA TRP 558 HA TRP 558 1.056 8.173 8.926 209 HB2 TRP 558 HB2 TRP 558 2.046 8.291 11.747 210 HB3 TRP 558 HB3 TRP 558 1.355 6.796 11.146 211 HD1 TRP 558 HD TRP 558 4.537 8.826 10.994 212 HE1 TRP 558 HE1 TRP 558 6.394 7.674 9.515 213 HE3 TRP 558 HE3 TRP 558 1.478 5.312 8.957 214 HZ2 TRP 558 HZ2 TRP 558 6.376 5.471 7.701 215 HZ3 TRP 558 HZ3 TRP 558 2.477 3.699 7.341 216 HH2 TRP 558 HH TRP 558 4.837 3.739 6.705 217 H THR 559 H THR 559 -1.035 7.648 8.455 218 HA THR 559 HA THR 559 -3.257 8.637 9.700 219 HB THR 559 HB THR 559 -3.078 5.877 8.404 220 HG1 THR 559 HG1 THR 559 -2.289 7.019 6.683 221 HG21 THR 559 HG21 THR 559 -5.168 8.001 8.799 222 HG22 THR 559 HG22 THR 559 -5.112 7.239 7.192 223 HG23 THR 559 HG23 THR 559 -5.365 6.239 8.643 224 H ALA 560 H ALA 560 -5.036 7.145 10.753 225 HA ALA 560 HA ALA 560 -3.976 6.474 13.300 226 HB1 ALA 560 HB1 ALA 560 -6.541 6.974 12.047 227 HB2 ALA 560 HB2 ALA 560 -6.624 5.498 13.038 228 HB3 ALA 560 HB3 ALA 560 -6.101 7.033 13.771 229 H ALA 561 H ALA 561 -2.741 4.672 13.568 230 HA ALA 561 HA ALA 561 -2.991 2.422 11.870 231 HB1 ALA 561 HB1 ALA 561 -0.858 2.914 12.823 232 HB2 ALA 561 HB2 ALA 561 -1.528 2.991 14.470 233 HB3 ALA 561 HB3 ALA 561 -1.417 1.428 13.626 234 HA PRO 562 HA PRO 562 -2.962 0.573 11.674 235 HB2 PRO 562 HB2 PRO 562 -4.635 -1.218 10.465 236 HB3 PRO 562 HB3 PRO 562 -3.457 -1.675 11.679 237 HG2 PRO 562 HG2 PRO 562 -6.389 -1.415 11.947 238 HG3 PRO 562 HG3 PRO 562 -5.262 -2.261 12.989 239 HD2 PRO 562 HD2 PRO 562 -6.486 0.284 13.492 240 HD3 PRO 562 HD3 PRO 562 -5.272 -0.509 14.477 241 H GLY 563 H GLY 563 -2.793 1.173 9.493 242 HA2 GLY 563 HA2 GLY 563 -4.055 3.455 8.759 243 HA3 GLY 563 HA3 GLY 563 -3.436 2.269 7.626 244 H VAL 564 H VAL 564 -4.858 1.127 6.335 245 HA VAL 564 HA VAL 564 -7.662 1.086 7.159 246 HB VAL 564 HB VAL 564 -7.017 1.656 4.305 247 HG11 VAL 564 HG11 VAL 564 -9.257 1.625 4.316 248 HG12 VAL 564 HG12 VAL 564 -9.328 1.699 6.093 249 HG13 VAL 564 HG13 VAL 564 -9.174 3.198 5.146 250 HG21 VAL 564 HG21 VAL 564 -5.639 3.292 5.524 251 HG22 VAL 564 HG22 VAL 564 -7.002 4.075 4.690 252 HG23 VAL 564 HG23 VAL 564 -7.070 3.808 6.449 253 H LYS 565 H LYS 565 -8.918 -0.598 5.981 254 HA LYS 565 HA LYS 565 -7.246 -2.918 5.624 255 HB2 LYS 565 HB2 LYS 565 -9.285 -3.044 6.976 256 HB3 LYS 565 HB3 LYS 565 -10.258 -2.571 5.598 257 HG2 LYS 565 HG2 LYS 565 -10.305 -4.702 4.819 258 HG3 LYS 565 HG3 LYS 565 -8.555 -4.796 4.828 259 HD2 LYS 565 HD2 LYS 565 -8.977 -6.431 6.406 260 HD3 LYS 565 HD3 LYS 565 -8.941 -5.050 7.485 261 HE2 LYS 565 HE2 LYS 565 -11.551 -4.914 6.821 262 HE3 LYS 565 HE3 LYS 565 -11.315 -6.617 6.482 263 HZ2 LYS 565 HZ2 LYS 565 -10.720 -7.025 8.711 264 HZ3 LYS 565 HZ3 LYS 565 -10.415 -5.463 9.052 265 H MET 566 H MET 566 -6.379 -3.487 3.710 266 HA MET 566 HA MET 566 -6.465 -2.216 1.440 267 HB2 MET 566 HB2 MET 566 -6.338 -5.158 2.116 268 HB3 MET 566 HB3 MET 566 -6.475 -4.755 0.416 269 HG2 MET 566 HG2 MET 566 -4.456 -3.152 1.929 270 HG3 MET 566 HG3 MET 566 -4.090 -4.861 1.792 271 HE1 MET 566 HE1 MET 566 -2.019 -3.474 0.691 272 HE2 MET 566 HE2 MET 566 -2.022 -2.921 -1.001 273 HE3 MET 566 HE3 MET 566 -2.793 -1.930 0.262 274 H GLN 567 H GLN 567 -7.636 -2.230 -0.593 275 HA GLN 567 HA GLN 567 -10.412 -3.029 -0.198 276 HB2 GLN 567 HB2 GLN 567 -9.160 -0.596 -1.220 277 HB3 GLN 567 HB3 GLN 567 -10.249 -1.269 -2.416 278 HG2 GLN 567 HG2 GLN 567 -11.859 -1.543 -0.269 279 HG3 GLN 567 HG3 GLN 567 -10.865 -0.239 0.349 280 HE21 GLN 567 HE12 GLN 567 -12.700 1.099 0.318 281 HE22 GLN 567 HE22 GLN 567 -13.274 1.844 -1.137 282 H ASP 568 H ASP 568 -10.916 -4.906 -1.237 283 HA ASP 568 HA ASP 568 -9.445 -6.336 -2.860 284 HB2 ASP 568 HB2 ASP 568 -11.355 -7.557 -3.275 285 HB3 ASP 568 HB3 ASP 568 -12.014 -6.498 -2.045 286 HD2 ASP 568 HD ASP 568 -13.384 -6.431 -5.735 287 H ALA 569 H ALA 569 -9.119 -6.558 -5.202 288 HA ALA 569 HA ALA 569 -9.385 -4.026 -6.600 289 HB1 ALA 569 HB1 ALA 569 -7.653 -4.797 -7.956 290 HB2 ALA 569 HB2 ALA 569 -7.282 -5.607 -6.416 291 HB3 ALA 569 HB3 ALA 569 -8.090 -6.506 -7.722 292 H GLU 570 H GLU 570 -9.278 -5.665 -9.213 293 HA GLU 570 HA GLU 570 -12.066 -6.505 -9.206 294 HB2 GLU 570 HB2 GLU 570 -12.451 -5.378 -11.339 295 HB3 GLU 570 HB3 GLU 570 -11.879 -4.209 -10.166 296 HG2 GLU 570 HG2 GLU 570 -9.566 -4.403 -11.081 297 HG3 GLU 570 HG3 GLU 570 -10.114 -5.602 -12.235 298 HE2 GLU 570 HE GLU 570 -10.585 -3.400 -14.498 299 H ILE 571 H ILE 571 -9.003 -7.543 -9.403 300 HA ILE 571 HA ILE 571 -9.099 -8.972 -11.888 301 HB ILE 571 HB ILE 571 -7.207 -9.043 -9.537 302 HG12 ILE 571 HG11 ILE 571 -6.779 -7.883 -12.301 303 HG13 ILE 571 HG12 ILE 571 -7.365 -6.936 -10.948 304 HG21 ILE 571 HG21 ILE 571 -6.852 -10.356 -12.244 305 HG22 ILE 571 HG22 ILE 571 -5.722 -10.386 -10.869 306 HG23 ILE 571 HG23 ILE 571 -7.293 -11.213 -10.748 307 HD11 ILE 571 HD11 ILE 571 -4.642 -8.020 -11.464 308 HD12 ILE 571 HD12 ILE 571 -5.137 -6.570 -10.559 309 HD13 ILE 571 HD13 ILE 571 -5.202 -8.169 -9.781 310 H SER 572 H SER 572 -8.464 -10.355 -8.613 311 HA SER 572 HA SER 572 -10.732 -11.716 -8.219 312 HB2 SER 572 HB2 SER 572 -9.440 -12.779 -10.552 313 HB3 SER 572 HB3 SER 572 -9.282 -13.979 -9.285 314 HG SER 572 HG SER 572 -11.717 -13.479 -8.941 315 H GLY 573 H GLY 573 -10.168 -11.614 -6.040 316 HA2 GLY 573 HA2 GLY 573 -9.288 -12.522 -4.144 317 HA3 GLY 573 HA3 GLY 573 -8.203 -13.510 -5.101 318 H TYR 574 H TYR 574 -8.128 -10.254 -6.188 319 HA TYR 574 HA TYR 574 -5.620 -9.848 -4.721 320 HB2 TYR 574 HB2 TYR 574 -6.739 -9.416 -7.442 321 HB3 TYR 574 HB3 TYR 574 -6.024 -7.942 -6.819 322 HD1 TYR 574 HD2 TYR 574 -3.597 -7.875 -6.236 323 HD2 TYR 574 HD1 TYR 574 -5.375 -11.287 -8.107 324 HE1 TYR 574 HE2 TYR 574 -1.293 -8.719 -6.903 325 HE2 TYR 574 HE1 TYR 574 -3.065 -12.119 -8.768 326 HH TYR 574 HH TYR 574 -0.815 -11.023 -9.205 327 H ALA 575 H ALA 575 -5.106 -7.684 -3.924 328 HA ALA 575 HA ALA 575 -7.548 -6.165 -3.308 329 HB1 ALA 575 HB1 ALA 575 -5.864 -5.436 -1.337 330 HB2 ALA 575 HB2 ALA 575 -6.919 -6.864 -1.213 331 HB3 ALA 575 HB3 ALA 575 -5.210 -7.058 -1.671 332 H LYS 576 H LYS 576 -7.250 -3.798 -3.116 333 HA LYS 576 HA LYS 576 -4.813 -2.721 -4.207 334 HB2 LYS 576 HB2 LYS 576 -5.632 -1.850 -6.201 335 HB3 LYS 576 HB3 LYS 576 -6.297 -3.471 -6.174 336 HG2 LYS 576 HG2 LYS 576 -8.449 -2.589 -5.274 337 HG3 LYS 576 HG3 LYS 576 -7.787 -0.967 -5.254 338 HD2 LYS 576 HD2 LYS 576 -7.511 -2.325 -7.880 339 HD3 LYS 576 HD3 LYS 576 -9.176 -2.110 -7.378 340 HE2 LYS 576 HE2 LYS 576 -8.214 0.369 -6.758 341 HE3 LYS 576 HE3 LYS 576 -7.113 -0.039 -8.059 342 HZ2 LYS 576 HZ2 LYS 576 -9.401 -0.757 -9.184 343 HZ3 LYS 576 HZ3 LYS 576 -9.998 0.383 -8.187 344 H ILE 577 H ILE 577 -4.580 -0.477 -3.743 345 HA ILE 577 HA ILE 577 -6.799 0.725 -2.276 346 HB ILE 577 HB ILE 577 -5.525 1.269 -0.400 347 HG12 ILE 577 HG11 ILE 577 -2.957 0.049 -0.998 348 HG13 ILE 577 HG12 ILE 577 -3.338 1.303 -2.162 349 HG21 ILE 577 HG21 ILE 577 -4.554 -0.994 0.325 350 HG22 ILE 577 HG22 ILE 577 -6.277 -0.926 -0.119 351 HG23 ILE 577 HG23 ILE 577 -5.087 -1.584 -1.268 352 HD11 ILE 577 HD11 ILE 577 -2.302 1.718 0.395 353 HD12 ILE 577 HD12 ILE 577 -3.064 2.961 -0.627 354 HD13 ILE 577 HD13 ILE 577 -4.030 2.097 0.593 355 H THR 578 H THR 578 -6.726 3.068 -2.240 356 HA THR 578 HA THR 578 -4.776 4.197 -4.131 357 HB THR 578 HB THR 578 -7.707 5.024 -4.035 358 HG1 THR 578 HG1 THR 578 -6.363 3.066 -5.755 359 HG21 THR 578 HG21 THR 578 -6.428 6.522 -5.409 360 HG22 THR 578 HG22 THR 578 -5.403 5.204 -6.026 361 HG23 THR 578 HG23 THR 578 -7.096 5.339 -6.559 362 H VAL 579 H VAL 579 -3.721 5.953 -3.422 363 HA VAL 579 HA VAL 579 -4.951 7.411 -1.194 364 HB VAL 579 HB VAL 579 -2.034 6.644 -1.393 365 HG11 VAL 579 HG11 VAL 579 -2.064 8.583 -0.126 366 HG12 VAL 579 HG12 VAL 579 -3.669 8.239 0.562 367 HG13 VAL 579 HG13 VAL 579 -2.246 7.333 1.128 368 HG21 VAL 579 HG21 VAL 579 -3.824 4.780 -0.925 369 HG22 VAL 579 HG22 VAL 579 -2.355 4.884 0.075 370 HG23 VAL 579 HG23 VAL 579 -3.896 5.531 0.687 371 H ASP 580 H ASP 580 -4.799 9.637 -1.341 372 HA ASP 580 HA ASP 580 -3.986 10.610 -3.876 373 HB2 ASP 580 HB2 ASP 580 -5.964 11.491 -2.616 374 HB3 ASP 580 HB3 ASP 580 -4.897 12.078 -1.356 375 HD2 ASP 580 HD ASP 580 -6.437 13.903 -3.880 376 H ILE 581 H ILE 581 -2.299 12.290 -4.197 377 HA ILE 581 HA ILE 581 -0.592 12.949 -1.989 378 HB ILE 581 HB ILE 581 1.429 11.981 -2.914 379 HG12 ILE 581 HG11 ILE 581 -0.306 10.487 -4.896 380 HG13 ILE 581 HG12 ILE 581 0.580 11.943 -5.300 381 HG21 ILE 581 HG21 ILE 581 1.073 9.711 -2.231 382 HG22 ILE 581 HG22 ILE 581 0.063 10.767 -1.215 383 HG23 ILE 581 HG23 ILE 581 -0.675 9.836 -2.541 384 HD11 ILE 581 HD11 ILE 581 2.659 10.905 -5.138 385 HD12 ILE 581 HD12 ILE 581 2.091 9.723 -3.934 386 HD13 ILE 581 HD13 ILE 581 1.662 9.522 -5.650 387 H GLY 582 H GLY 582 -2.174 14.667 -3.330 388 HA2 GLY 582 HA2 GLY 582 -1.701 15.787 -5.668 389 HA3 GLY 582 HA3 GLY 582 -1.858 16.752 -4.214 390 H SER 583 H SER 583 0.173 17.224 -2.936 391 HA SER 583 HA SER 583 2.211 17.947 -4.782 392 HB2 SER 583 HB2 SER 583 1.258 18.963 -2.363 393 HB3 SER 583 HB3 SER 583 2.811 18.290 -1.908 394 HG SER 583 HG SER 583 2.853 20.566 -2.665 395 H ALA 584 H ALA 584 1.614 15.433 -2.348 396 HA ALA 584 HA ALA 584 4.252 14.650 -1.883 397 HB1 ALA 584 HB1 ALA 584 1.510 13.522 -1.555 398 HB2 ALA 584 HB2 ALA 584 2.853 12.354 -1.556 399 HB3 ALA 584 HB3 ALA 584 2.830 13.683 -0.372 400 H SER 585 H SER 585 5.676 13.306 -2.967 401 HA SER 585 HA SER 585 4.704 12.386 -5.560 402 HB2 SER 585 HB2 SER 585 6.952 12.706 -6.436 403 HB3 SER 585 HB3 SER 585 6.437 14.192 -5.663 404 HG SER 585 HG SER 585 7.687 12.553 -3.830 405 H GLN 586 H GLN 586 5.462 11.388 -2.470 406 HA GLN 586 HA GLN 586 5.926 8.720 -3.407 407 HB2 GLN 586 HB2 GLN 586 8.029 10.351 -2.069 408 HB3 GLN 586 HB3 GLN 586 7.803 8.748 -1.397 409 HG2 GLN 586 HG2 GLN 586 8.018 7.778 -3.718 410 HG3 GLN 586 HG3 GLN 586 8.325 9.388 -4.339 411 HE21 GLN 586 HE12 GLN 586 10.127 7.396 -4.719 412 HE22 GLN 586 HE22 GLN 586 11.570 7.665 -3.800 413 H LEU 587 H LEU 587 5.041 7.172 -1.998 414 HA LEU 587 HA LEU 587 4.230 8.118 0.640 415 HB2 LEU 587 HB2 LEU 587 2.399 8.454 -1.099 416 HB3 LEU 587 HB3 LEU 587 2.302 6.707 -1.195 417 HG LEU 587 HG LEU 587 1.980 8.194 1.417 418 HD11 LEU 587 HD11 LEU 587 -0.257 7.354 -0.445 419 HD12 LEU 587 HD12 LEU 587 -0.408 8.173 1.128 420 HD13 LEU 587 HD13 LEU 587 0.332 9.022 -0.250 421 HD21 LEU 587 HD21 LEU 587 1.702 6.195 2.343 422 HD22 LEU 587 HD22 LEU 587 0.503 5.723 1.116 423 HD23 LEU 587 HD23 LEU 587 2.238 5.475 0.806 424 H GLU 588 H GLU 588 4.454 6.572 2.223 425 HA GLU 588 HA GLU 588 5.468 4.030 1.254 426 HB2 GLU 588 HB2 GLU 588 6.387 3.782 3.567 427 HB3 GLU 588 HB3 GLU 588 6.976 5.220 2.756 428 HG2 GLU 588 HG2 GLU 588 4.561 5.997 4.068 429 HG3 GLU 588 HG3 GLU 588 5.438 5.013 5.222 430 HE2 GLU 588 HE GLU 588 7.508 7.986 3.568 431 H ALA 589 H ALA 589 4.640 2.012 2.064 432 HA ALA 589 HA ALA 589 2.230 2.200 3.700 433 HB1 ALA 589 HB1 ALA 589 0.930 0.896 2.158 434 HB2 ALA 589 HB2 ALA 589 1.633 2.241 1.229 435 HB3 ALA 589 HB3 ALA 589 2.340 0.612 1.111 436 H ALA 590 H ALA 590 1.938 0.412 5.061 437 HA ALA 590 HA ALA 590 4.015 -1.656 4.822 438 HB1 ALA 590 HB1 ALA 590 2.854 -0.428 7.356 439 HB2 ALA 590 HB2 ALA 590 4.092 -1.704 7.277 440 HB3 ALA 590 HB3 ALA 590 4.460 -0.069 6.679 441 H PHE 591 H PHE 591 3.353 -3.759 5.895 442 HA PHE 591 HA PHE 591 0.441 -4.084 5.798 443 HB2 PHE 591 HB2 PHE 591 2.626 -5.990 4.768 444 HB3 PHE 591 HB3 PHE 591 0.899 -6.248 4.613 445 HD1 PHE 591 HD2 PHE 591 3.574 -3.853 3.620 446 HD2 PHE 591 HD1 PHE 591 -0.194 -5.563 2.681 447 HE1 PHE 591 HE2 PHE 591 3.600 -2.688 1.397 448 HE2 PHE 591 HE1 PHE 591 -0.169 -4.398 0.458 449 HZ PHE 591 HZ PHE 591 1.728 -2.975 -0.158 450 H ASN 592 H ASN 592 -0.395 -5.086 7.576 451 HA ASN 592 HA ASN 592 1.293 -6.939 8.987 452 HB2 ASN 592 HB2 ASN 592 0.823 -5.834 11.195 453 HB3 ASN 592 HB3 ASN 592 1.775 -4.806 10.142 454 HD21 ASN 592 HD21 ASN 592 0.547 -3.279 8.749 455 HD22 ASN 592 HD22 ASN 592 -0.828 -2.469 9.423 456 H ASP 593 H ASP 593 -0.003 -8.572 9.997 457 HA ASP 593 HA ASP 593 -2.506 -8.993 9.080 458 HB2 ASP 593 HB2 ASP 593 -2.730 -10.642 10.927 459 HB3 ASP 593 HB3 ASP 593 -1.148 -10.725 10.180 460 HD2 ASP 593 HD ASP 593 -2.035 -11.468 12.808 461 H GLY 594 H GLY 594 -1.362 -7.097 11.884 462 HA2 GLY 594 HA2 GLY 594 -2.771 -5.250 12.565 463 HA3 GLY 594 HA3 GLY 594 -4.159 -6.315 12.450 464 H ASN 595 H ASN 595 -1.438 -8.049 13.612 465 HA ASN 595 HA ASN 595 -2.298 -7.537 16.351 466 HB2 ASN 595 HB2 ASN 595 -1.769 -10.127 14.871 467 HB3 ASN 595 HB3 ASN 595 -1.399 -10.069 16.583 468 HD21 ASN 595 HD21 ASN 595 -3.459 -11.509 15.013 469 HD22 ASN 595 HD22 ASN 595 -4.987 -11.129 15.736 470 H ASN 596 H ASN 596 0.200 -9.886 15.353 471 HA ASN 596 HA ASN 596 2.217 -8.002 16.298 472 HB2 ASN 596 HB2 ASN 596 1.569 -10.305 17.590 473 HB3 ASN 596 HB3 ASN 596 2.691 -10.983 16.427 474 HD21 ASN 596 HD21 ASN 596 2.447 -9.847 19.445 475 HD22 ASN 596 HD22 ASN 596 4.048 -9.255 19.740 476 H ASN 597 H ASN 597 0.919 -9.524 13.627 477 HA ASN 597 HA ASN 597 3.420 -10.323 12.454 478 HB2 ASN 597 HB2 ASN 597 0.889 -11.315 12.176 479 HB3 ASN 597 HB3 ASN 597 0.880 -10.184 10.837 480 HD21 ASN 597 HD21 ASN 597 1.979 -10.602 9.020 481 HD22 ASN 597 HD22 ASN 597 2.923 -12.023 8.719 482 H TRP 598 H TRP 598 4.552 -8.317 12.104 483 HA TRP 598 HA TRP 598 3.169 -6.423 10.327 484 HB2 TRP 598 HB2 TRP 598 5.170 -5.942 12.532 485 HB3 TRP 598 HB3 TRP 598 4.833 -4.757 11.286 486 HD1 TRP 598 HD TRP 598 2.879 -6.665 14.074 487 HE1 TRP 598 HE1 TRP 598 0.869 -5.204 14.964 488 HE3 TRP 598 HE3 TRP 598 3.493 -2.858 10.760 489 HZ2 TRP 598 HZ2 TRP 598 -0.214 -2.676 14.198 490 HZ3 TRP 598 HZ3 TRP 598 1.917 -0.931 10.898 491 HH2 TRP 598 HH TRP 598 0.113 -0.802 12.543 492 H ASP 599 H ASP 599 4.200 -5.957 8.383 493 HA ASP 599 HA ASP 599 6.924 -6.904 8.112 494 HB2 ASP 599 HB2 ASP 599 4.629 -7.535 6.197 495 HB3 ASP 599 HB3 ASP 599 6.317 -7.836 5.834 496 HD2 ASP 599 HD ASP 599 6.954 -9.041 8.461 497 H SER 600 H SER 600 7.928 -4.931 7.629 498 HA SER 600 HA SER 600 7.134 -3.603 5.256 499 HB2 SER 600 HB2 SER 600 7.178 -1.360 6.871 500 HB3 SER 600 HB3 SER 600 5.728 -2.112 6.236 501 HG SER 600 HG SER 600 5.336 -3.127 8.175 502 H ASN 601 H ASN 601 8.802 -2.669 8.361 503 HA ASN 601 HA ASN 601 11.312 -3.277 7.750 504 HB2 ASN 601 HB2 ASN 601 10.436 -1.178 5.954 505 HB3 ASN 601 HB3 ASN 601 11.624 -0.487 7.040 506 HD21 ASN 601 HD21 ASN 601 12.159 -0.681 4.398 507 HD22 ASN 601 HD22 ASN 601 13.382 -1.865 4.080 508 H ASN 602 H ASN 602 8.969 -0.869 8.904 509 HA ASN 602 HA ASN 602 8.748 -0.016 10.918 510 HB2 ASN 602 HB2 ASN 602 11.612 -0.592 11.739 511 HB3 ASN 602 HB3 ASN 602 10.181 -0.526 12.748 512 HD21 ASN 602 HD21 ASN 602 8.386 -2.112 11.676 513 HD22 ASN 602 HD22 ASN 602 8.921 -3.754 11.535 514 H THR 603 H THR 603 8.703 2.221 10.627 515 HA THR 603 HA THR 603 9.364 4.283 10.068 516 HB THR 603 HB THR 603 10.546 3.502 12.397 517 HG1 THR 603 HG1 THR 603 10.356 5.707 12.495 518 HG21 THR 603 HG21 THR 603 12.857 3.640 12.398 519 HG22 THR 603 HG22 THR 603 12.688 3.128 10.701 520 HG23 THR 603 HG23 THR 603 12.876 4.854 11.096 521 H LYS 604 H LYS 604 9.912 2.267 8.061 522 HA LYS 604 HA LYS 604 11.918 3.777 6.622 523 HB2 LYS 604 HB2 LYS 604 12.508 1.221 7.823 524 HB3 LYS 604 HB3 LYS 604 12.553 1.071 6.078 525 HG2 LYS 604 HG2 LYS 604 13.844 3.541 7.140 526 HG3 LYS 604 HG3 LYS 604 14.627 2.048 7.619 527 HD2 LYS 604 HD2 LYS 604 14.798 1.339 5.248 528 HD3 LYS 604 HD3 LYS 604 13.931 2.773 4.734 529 HE2 LYS 604 HE2 LYS 604 15.847 3.988 4.729 530 HE3 LYS 604 HE3 LYS 604 16.139 3.605 6.414 531 HZ2 LYS 604 HZ2 LYS 604 17.598 1.980 5.842 532 HZ3 LYS 604 HZ3 LYS 604 16.714 1.430 4.590 533 H ASN 605 H ASN 605 10.037 0.669 6.412 534 HA ASN 605 HA ASN 605 8.844 -0.147 4.774 535 HB2 ASN 605 HB2 ASN 605 7.778 2.629 5.249 536 HB3 ASN 605 HB3 ASN 605 7.164 1.800 3.832 537 HD21 ASN 605 HD21 ASN 605 6.990 2.171 7.182 538 HD22 ASN 605 HD22 ASN 605 5.908 0.875 7.571 539 H TYR 606 H TYR 606 7.718 0.916 2.373 540 HA TYR 606 HA TYR 606 10.157 1.621 0.894 541 HB2 TYR 606 HB2 TYR 606 7.461 0.317 0.162 542 HB3 TYR 606 HB3 TYR 606 8.726 0.628 -1.010 543 HD1 TYR 606 HD2 TYR 606 7.705 -1.467 1.840 544 HD2 TYR 606 HD1 TYR 606 10.738 -0.749 -1.091 545 HE1 TYR 606 HE2 TYR 606 8.743 -3.732 2.348 546 HE2 TYR 606 HE1 TYR 606 11.766 -3.015 -0.572 547 HH TYR 606 HH TYR 606 11.488 -4.921 0.459 548 H LEU 607 H LEU 607 9.798 2.995 -1.094 549 HA LEU 607 HA LEU 607 7.708 4.981 -0.524 550 HB2 LEU 607 HB2 LEU 607 10.367 5.475 -1.861 551 HB3 LEU 607 HB3 LEU 607 9.171 6.668 -1.396 552 HG LEU 607 HG LEU 607 9.806 5.269 0.973 553 HD11 LEU 607 HD11 LEU 607 11.875 4.698 -0.645 554 HD12 LEU 607 HD12 LEU 607 12.422 6.268 -0.011 555 HD13 LEU 607 HD13 LEU 607 12.039 4.940 1.110 556 HD21 LEU 607 HD21 LEU 607 9.172 7.668 0.667 557 HD22 LEU 607 HD22 LEU 607 10.556 7.403 1.755 558 HD23 LEU 607 HD23 LEU 607 10.828 7.980 0.093 559 H PHE 608 H PHE 608 6.108 5.066 -2.001 560 HA PHE 608 HA PHE 608 6.791 4.185 -4.718 561 HB2 PHE 608 HB2 PHE 608 4.107 3.963 -3.237 562 HB3 PHE 608 HB3 PHE 608 4.509 3.208 -4.766 563 HD1 PHE 608 HD1 PHE 608 7.262 2.179 -4.009 564 HD2 PHE 608 HD2 PHE 608 3.542 2.060 -1.971 565 HE1 PHE 608 HE1 PHE 608 7.994 0.109 -2.794 566 HE2 PHE 608 HE2 PHE 608 4.274 -0.010 -0.755 567 HZ PHE 608 HZ PHE 608 6.492 -0.961 -1.181 568 H SER 609 H SER 609 5.788 5.319 -6.461 569 HA SER 609 HA SER 609 4.645 7.857 -5.595 570 HB2 SER 609 HB2 SER 609 6.825 7.991 -6.824 571 HB3 SER 609 HB3 SER 609 6.090 7.191 -8.199 572 HG SER 609 HG SER 609 5.412 9.779 -7.099 573 H THR 610 H THR 610 3.182 8.837 -7.501 574 HA THR 610 HA THR 610 0.893 7.399 -7.695 575 HB THR 610 HB THR 610 0.396 8.969 -9.614 576 HG1 THR 610 HG1 THR 610 3.142 9.825 -9.139 577 HG21 THR 610 HG21 THR 610 0.450 9.844 -7.194 578 HG22 THR 610 HG22 THR 610 2.123 10.365 -7.510 579 HG23 THR 610 HG23 THR 610 0.780 11.069 -8.443 580 H GLY 611 H GLY 611 -0.206 6.512 -9.712 581 HA2 GLY 611 HA2 GLY 611 0.055 5.371 -11.777 582 HA3 GLY 611 HA3 GLY 611 1.700 4.957 -11.338 583 H THR 612 H THR 612 0.938 2.709 -11.932 584 HA THR 612 HA THR 612 -0.661 1.500 -9.784 585 HB THR 612 HB THR 612 0.095 0.329 -12.504 586 HG1 THR 612 HG1 THR 612 -1.532 1.643 -13.271 587 HG21 THR 612 HG21 THR 612 -0.901 -1.302 -10.935 588 HG22 THR 612 HG22 THR 612 -2.191 -0.148 -10.520 589 HG23 THR 612 HG23 THR 612 -2.118 -0.851 -12.154 590 H SER 613 H SER 613 0.176 0.061 -8.372 591 HA SER 613 HA SER 613 2.795 -0.998 -9.015 592 HB2 SER 613 HB2 SER 613 2.135 0.243 -6.309 593 HB3 SER 613 HB3 SER 613 3.670 -0.454 -6.787 594 HG SER 613 HG SER 613 2.572 2.067 -7.387 595 H THR 614 H THR 614 3.345 -2.935 -7.637 596 HA THR 614 HA THR 614 0.990 -4.109 -6.336 597 HB THR 614 HB THR 614 2.794 -5.651 -8.257 598 HG1 THR 614 HG1 THR 614 0.352 -4.065 -8.568 599 HG21 THR 614 HG21 THR 614 1.367 -7.070 -6.839 600 HG22 THR 614 HG22 THR 614 -0.043 -6.033 -7.165 601 HG23 THR 614 HG23 THR 614 0.660 -7.017 -8.472 602 H TYR 615 H TYR 615 1.490 -4.485 -4.278 603 HA TYR 615 HA TYR 615 4.299 -4.946 -3.631 604 HB2 TYR 615 HB2 TYR 615 2.620 -3.238 -2.530 605 HB3 TYR 615 HB3 TYR 615 1.810 -4.635 -1.851 606 HD1 TYR 615 HD2 TYR 615 2.927 -6.022 -0.124 607 HD2 TYR 615 HD1 TYR 615 4.739 -2.460 -1.651 608 HE1 TYR 615 HE2 TYR 615 4.533 -5.986 1.846 609 HE2 TYR 615 HE1 TYR 615 6.339 -2.436 0.324 610 HH TYR 615 HH TYR 615 5.954 -4.689 2.983 611 H THR 616 H THR 616 5.028 -7.000 -3.437 612 HA THR 616 HA THR 616 3.069 -9.030 -2.583 613 HB THR 616 HB THR 616 5.488 -9.244 -4.453 614 HG1 THR 616 HG1 THR 616 3.754 -8.404 -5.624 615 HG21 THR 616 HG21 THR 616 4.317 -11.293 -2.919 616 HG22 THR 616 HG22 THR 616 3.448 -11.379 -4.470 617 HG23 THR 616 HG23 THR 616 5.221 -11.522 -4.435 618 HA PRO 617 HA PRO 617 5.726 -9.269 0.847 619 HB2 PRO 617 HB2 PRO 617 4.153 -10.912 2.362 620 HB3 PRO 617 HB3 PRO 617 3.972 -9.169 2.335 621 HG2 PRO 617 HG2 PRO 617 2.277 -11.228 1.060 622 HG3 PRO 617 HG3 PRO 617 1.897 -9.553 1.406 623 HD2 PRO 617 HD2 PRO 617 2.582 -10.665 -1.148 624 HD3 PRO 617 HD3 PRO 617 2.315 -8.973 -0.780 625 H GLY 618 H GLY 618 7.078 -10.799 1.999 626 HA2 GLY 618 HA2 GLY 618 7.852 -12.896 0.180 627 HA3 GLY 618 HA3 GLY 618 8.609 -12.454 1.698 628 H SER 619 H SER 619 8.768 -14.743 2.252 629 HA SER 619 HA SER 619 6.415 -16.285 2.416 630 HB2 SER 619 HB2 SER 619 9.179 -16.699 3.642 631 HB3 SER 619 HB3 SER 619 7.911 -17.909 3.635 632 HG SER 619 HG SER 619 9.705 -17.340 1.678 633 H ASN 620 H ASN 620 8.651 -14.854 4.912 634 HA ASN 620 HA ASN 620 6.449 -14.115 6.508 635 HB2 ASN 620 HB2 ASN 620 8.124 -16.539 7.273 636 HB3 ASN 620 HB3 ASN 620 7.426 -15.533 8.527 637 HD21 ASN 620 HD21 ASN 620 6.879 -17.866 6.061 638 HD22 ASN 620 HD22 ASN 620 5.188 -18.143 6.319 639 H GLY 621 H GLY 621 7.159 -12.329 7.733 640 HA2 GLY 621 HA2 GLY 621 8.571 -10.698 8.392 641 HA3 GLY 621 HA3 GLY 621 9.457 -12.010 9.143 642 H ALA 622 H ALA 622 9.058 -11.959 5.619 643 HA ALA 622 HA ALA 622 11.850 -11.068 5.385 644 HB1 ALA 622 HB1 ALA 622 12.123 -13.293 4.870 645 HB2 ALA 622 HB2 ALA 622 10.433 -13.491 4.347 646 HB3 ALA 622 HB3 ALA 622 11.613 -12.708 3.268 647 H ALA 623 H ALA 623 11.673 -9.010 4.600 648 HA ALA 623 HA ALA 623 9.605 -7.875 3.302 649 HB1 ALA 623 HB1 ALA 623 12.274 -7.137 2.232 650 HB2 ALA 623 HB2 ALA 623 11.047 -6.133 3.041 651 HB3 ALA 623 HB3 ALA 623 12.146 -7.145 4.008 652 H GLY 624 H GLY 624 8.829 -7.680 1.178 653 HA2 GLY 624 HA2 GLY 624 9.810 -9.769 -0.654 654 HA3 GLY 624 HA3 GLY 624 8.210 -9.054 -0.647 655 H THR 625 H THR 625 7.997 -8.032 -2.608 656 HA THR 625 HA THR 625 9.742 -5.783 -3.111 657 HB THR 625 HB THR 625 10.184 -6.676 -5.484 658 HG1 THR 625 HG1 THR 625 9.240 -8.646 -5.846 659 HG21 THR 625 HG21 THR 625 12.087 -7.972 -4.864 660 HG22 THR 625 HG22 THR 625 11.828 -6.941 -3.436 661 HG23 THR 625 HG23 THR 625 11.275 -8.633 -3.424 662 H ILE 626 H ILE 626 8.931 -4.439 -4.952 663 HA ILE 626 HA ILE 626 6.035 -4.842 -5.242 664 HB ILE 626 HB ILE 626 7.157 -2.097 -5.301 665 HG12 ILE 626 HG11 ILE 626 6.615 -2.281 -2.654 666 HG13 ILE 626 HG12 ILE 626 7.296 -3.873 -2.924 667 HG21 ILE 626 HG21 ILE 626 5.033 -1.461 -4.655 668 HG22 ILE 626 HG22 ILE 626 4.702 -2.910 -5.633 669 HG23 ILE 626 HG23 ILE 626 4.690 -3.014 -3.857 670 HD11 ILE 626 HD11 ILE 626 8.690 -1.410 -4.020 671 HD12 ILE 626 HD12 ILE 626 8.921 -1.916 -2.329 672 HD13 ILE 626 HD13 ILE 626 9.379 -3.010 -3.655 673 H ARG 627 H ARG 627 5.295 -4.941 -7.306 674 HA ARG 627 HA ARG 627 7.248 -4.241 -9.342 675 HB2 ARG 627 HB2 ARG 627 5.576 -6.558 -8.951 676 HB3 ARG 627 HB3 ARG 627 5.019 -5.760 -10.409 677 HG2 ARG 627 HG2 ARG 627 7.982 -5.940 -10.181 678 HG3 ARG 627 HG3 ARG 627 7.177 -7.494 -10.277 679 HD2 ARG 627 HD1 ARG 627 5.944 -5.741 -12.217 680 HD3 ARG 627 HD2 ARG 627 7.682 -5.614 -12.407 681 HE ARG 627 HE ARG 627 6.916 -8.385 -12.121 682 HH11 ARG 627 HH22 ARG 627 6.898 -5.728 -14.465 683 HH12 ARG 627 HH21 ARG 627 6.921 -6.778 -15.843 684 HH22 ARG 627 HH1 ARG 627 6.950 -9.151 -15.509 685 H THR 628 H THR 628 6.780 -2.509 -10.677 686 HA THR 628 HA THR 628 4.303 -1.114 -10.290 687 HB THR 628 HB THR 628 5.958 -0.175 -12.505 688 HG1 THR 628 HG1 THR 628 7.950 -0.485 -11.534 689 HG21 THR 628 HG21 THR 628 4.943 1.565 -11.278 690 HG22 THR 628 HG22 THR 628 5.194 0.741 -9.720 691 HG23 THR 628 HG23 THR 628 6.561 1.536 -10.537 692 H GLY 629 H GLY 629 2.683 -0.656 -11.835 693 HA2 GLY 629 HA2 GLY 629 1.777 -0.928 -14.010 694 HA3 GLY 629 HA3 GLY 629 2.696 -2.408 -14.206 695 H ALA 630 H ALA 630 -0.306 -1.767 -14.334 696 HA ALA 630 HA ALA 630 -1.595 -2.856 -12.123 697 HB1 ALA 630 HB1 ALA 630 -2.585 -3.129 -14.969 698 HB2 ALA 630 HB2 ALA 630 -3.514 -2.807 -13.485 699 HB3 ALA 630 HB3 ALA 630 -2.482 -1.535 -14.183 700 HA PRO 631 HA PRO 631 -0.360 -7.015 -12.668 701 HB2 PRO 631 HB2 PRO 631 -1.489 -8.012 -10.387 702 HB3 PRO 631 HB3 PRO 631 0.098 -7.270 -10.426 703 HG2 PRO 631 HG2 PRO 631 -2.441 -6.162 -9.394 704 HG3 PRO 631 HG3 PRO 631 -0.802 -5.637 -9.067 705 HD2 PRO 631 HD2 PRO 631 -2.690 -4.376 -10.819 706 HD3 PRO 631 HD3 PRO 631 -1.015 -3.919 -10.580 707 H SER 632 H SER 632 -1.259 -9.193 -12.981 708 HA SER 632 HA SER 632 -2.672 -10.362 -14.177 709 HB2 SER 632 HB2 SER 632 -3.771 -9.820 -11.657 710 HB3 SER 632 HB3 SER 632 -5.111 -9.522 -12.747 711 HG SER 632 HG SER 632 -4.527 -11.849 -11.868 712 H GLY 633 H GLY 633 -2.304 -7.456 -15.003 713 HA2 GLY 633 HA2 GLY 633 -3.053 -6.167 -16.691 714 HA3 GLY 633 HA3 GLY 633 -4.219 -7.412 -17.093 Start of MODEL 20 1 H1 GLY 530 H GLY 530 -12.882 14.723 -8.267 2 HA2 GLY 530 HA2 GLY 530 -11.503 13.326 -7.073 3 HA3 GLY 530 HA3 GLY 530 -10.328 14.207 -8.030 4 H GLY 531 H GLY 531 -10.807 16.814 -6.627 5 HA2 GLY 531 HA2 GLY 531 -10.643 17.549 -4.323 6 HA3 GLY 531 HA3 GLY 531 -9.644 16.148 -3.989 7 H THR 532 H THR 532 -8.677 16.906 -7.041 8 HA THR 532 HA THR 532 -7.060 18.149 -7.966 9 HB THR 532 HB THR 532 -6.771 19.797 -5.428 10 HG1 THR 532 HG1 THR 532 -8.779 20.023 -7.551 11 HG21 THR 532 HG21 THR 532 -5.397 20.690 -7.156 12 HG22 THR 532 HG22 THR 532 -6.553 20.235 -8.430 13 HG23 THR 532 HG23 THR 532 -6.911 21.605 -7.351 14 H THR 533 H THR 533 -6.876 16.154 -5.304 15 HA THR 533 HA THR 533 -3.953 16.329 -5.157 16 HB THR 533 HB THR 533 -4.343 14.830 -3.145 17 HG1 THR 533 HG1 THR 533 -6.617 14.478 -2.661 18 HG21 THR 533 HG21 THR 533 -5.230 17.597 -3.435 19 HG22 THR 533 HG22 THR 533 -6.303 16.732 -2.308 20 HG23 THR 533 HG23 THR 533 -4.552 16.795 -1.998 21 H ASN 534 H ASN 534 -2.683 14.316 -5.221 22 HA ASN 534 HA ASN 534 -3.613 12.773 -7.442 23 HB2 ASN 534 HB2 ASN 534 -1.050 13.448 -6.211 24 HB3 ASN 534 HB3 ASN 534 -1.154 11.711 -6.412 25 HD21 ASN 534 HD21 ASN 534 0.190 14.152 -7.786 26 HD22 ASN 534 HD22 ASN 534 -0.004 13.845 -9.479 27 H LYS 535 H LYS 535 -2.974 10.231 -7.222 28 HA LYS 535 HA LYS 535 -3.495 9.250 -4.539 29 HB2 LYS 535 HB2 LYS 535 -5.305 8.683 -6.902 30 HB3 LYS 535 HB3 LYS 535 -5.293 7.730 -5.432 31 HG2 LYS 535 HG2 LYS 535 -6.914 9.240 -4.794 32 HG3 LYS 535 HG3 LYS 535 -5.521 10.182 -4.302 33 HD2 LYS 535 HD2 LYS 535 -5.848 11.750 -5.936 34 HD3 LYS 535 HD3 LYS 535 -6.171 10.542 -7.163 35 HE2 LYS 535 HE2 LYS 535 -8.490 10.313 -6.449 36 HE3 LYS 535 HE3 LYS 535 -8.204 11.265 -5.006 37 HZ2 LYS 535 HZ2 LYS 535 -8.647 13.096 -6.201 38 HZ3 LYS 535 HZ3 LYS 535 -7.424 12.794 -7.233 39 H VAL 536 H VAL 536 -2.676 7.140 -4.186 40 HA VAL 536 HA VAL 536 -1.051 6.156 -6.429 41 HB VAL 536 HB VAL 536 -0.354 5.411 -3.653 42 HG11 VAL 536 HG11 VAL 536 1.866 6.435 -5.019 43 HG12 VAL 536 HG12 VAL 536 1.416 4.723 -4.831 44 HG13 VAL 536 HG13 VAL 536 0.892 5.629 -6.272 45 HG21 VAL 536 HG21 VAL 536 0.986 7.688 -3.600 46 HG22 VAL 536 HG22 VAL 536 -0.364 8.254 -4.613 47 HG23 VAL 536 HG23 VAL 536 -0.684 7.594 -2.991 48 H THR 537 H THR 537 -1.675 4.230 -7.250 49 HA THR 537 HA THR 537 -3.481 2.605 -5.600 50 HB THR 537 HB THR 537 -2.982 2.877 -8.604 51 HG1 THR 537 HG1 THR 537 -4.718 4.191 -8.222 52 HG21 THR 537 HG21 THR 537 -4.101 0.614 -7.079 53 HG22 THR 537 HG22 THR 537 -5.312 1.354 -8.153 54 HG23 THR 537 HG23 THR 537 -3.783 0.740 -8.826 55 H VAL 538 H VAL 538 -2.793 0.790 -4.666 56 HA VAL 538 HA VAL 538 -0.419 -0.472 -5.850 57 HB VAL 538 HB VAL 538 -0.973 -0.508 -2.903 58 HG11 VAL 538 HG11 VAL 538 0.907 -1.703 -2.888 59 HG12 VAL 538 HG12 VAL 538 1.041 -1.537 -4.655 60 HG13 VAL 538 HG13 VAL 538 1.791 -0.326 -3.588 61 HG21 VAL 538 HG21 VAL 538 0.199 1.762 -4.499 62 HG22 VAL 538 HG22 VAL 538 -0.947 1.807 -3.138 63 HG23 VAL 538 HG23 VAL 538 0.769 1.433 -2.845 64 H TYR 539 H TYR 539 -0.615 -2.636 -6.263 65 HA TYR 539 HA TYR 539 -3.126 -3.869 -5.366 66 HB2 TYR 539 HB2 TYR 539 -1.336 -3.851 -7.784 67 HB3 TYR 539 HB3 TYR 539 -1.917 -5.447 -7.354 68 HD1 TYR 539 HD1 TYR 539 -3.409 -1.997 -7.546 69 HD2 TYR 539 HD2 TYR 539 -3.760 -6.137 -8.565 70 HE1 TYR 539 HE1 TYR 539 -5.606 -1.525 -8.736 71 HE2 TYR 539 HE2 TYR 539 -5.955 -5.652 -9.752 72 HH TYR 539 HH TYR 539 -6.906 -2.592 -10.600 73 H TYR 540 H TYR 540 -2.979 -5.338 -3.753 74 HA TYR 540 HA TYR 540 -0.394 -6.707 -3.439 75 HB2 TYR 540 HB2 TYR 540 -1.052 -5.236 -1.546 76 HB3 TYR 540 HB3 TYR 540 -2.689 -5.862 -1.572 77 HD1 TYR 540 HD1 TYR 540 -3.206 -8.084 -0.637 78 HD2 TYR 540 HD2 TYR 540 0.754 -6.472 -0.476 79 HE1 TYR 540 HE1 TYR 540 -2.566 -9.812 1.114 80 HE2 TYR 540 HE2 TYR 540 1.381 -8.206 1.274 81 HH TYR 540 HH TYR 540 -0.645 -10.880 1.968 82 H LYS 541 H LYS 541 -0.339 -8.948 -3.295 83 HA LYS 541 HA LYS 541 -2.765 -10.268 -4.155 84 HB2 LYS 541 HB2 LYS 541 -0.532 -10.678 -5.220 85 HB3 LYS 541 HB3 LYS 541 0.011 -11.407 -3.723 86 HG2 LYS 541 HG2 LYS 541 -2.122 -12.924 -3.930 87 HG3 LYS 541 HG3 LYS 541 -2.179 -12.377 -5.594 88 HD2 LYS 541 HD2 LYS 541 -0.689 -14.018 -6.087 89 HD3 LYS 541 HD3 LYS 541 0.520 -13.077 -5.237 90 HE2 LYS 541 HE2 LYS 541 0.683 -15.036 -4.008 91 HE3 LYS 541 HE3 LYS 541 -0.579 -14.251 -3.079 92 HZ2 LYS 541 HZ2 LYS 541 -0.916 -16.668 -4.024 93 HZ3 LYS 541 HZ3 LYS 541 -2.179 -15.642 -3.957 94 H LYS 542 H LYS 542 -4.233 -10.922 -2.685 95 HA LYS 542 HA LYS 542 -3.408 -11.275 0.052 96 HB2 LYS 542 HB2 LYS 542 -5.434 -10.253 0.088 97 HB3 LYS 542 HB3 LYS 542 -5.951 -10.951 -1.434 98 HG2 LYS 542 HG2 LYS 542 -6.750 -12.907 -0.438 99 HG3 LYS 542 HG3 LYS 542 -5.603 -12.838 0.884 100 HD2 LYS 542 HD2 LYS 542 -8.094 -12.310 1.420 101 HD3 LYS 542 HD3 LYS 542 -6.876 -11.243 2.089 102 HE2 LYS 542 HE2 LYS 542 -7.440 -9.473 0.686 103 HE3 LYS 542 HE3 LYS 542 -7.916 -10.523 -0.634 104 HZ2 LYS 542 HZ2 LYS 542 -9.639 -10.885 1.606 105 HZ3 LYS 542 HZ3 LYS 542 -9.616 -9.317 1.169 106 H GLY 543 H GLY 543 -3.358 -14.713 0.506 107 HA2 GLY 543 HA2 GLY 543 -2.202 -12.483 1.440 108 HA3 GLY 543 HA3 GLY 543 -3.900 -12.068 1.566 109 H PHE 544 H PHE 544 -4.483 -12.270 3.692 110 HA PHE 544 HA PHE 544 -3.715 -14.784 5.002 111 HB2 PHE 544 HB2 PHE 544 -3.735 -11.861 5.809 112 HB3 PHE 544 HB3 PHE 544 -4.181 -13.013 7.052 113 HD1 PHE 544 HD1 PHE 544 -1.468 -11.979 4.778 114 HD2 PHE 544 HD2 PHE 544 -2.542 -14.382 8.107 115 HE1 PHE 544 HE1 PHE 544 0.959 -12.408 5.252 116 HE2 PHE 544 HE2 PHE 544 -0.115 -14.810 8.581 117 HZ PHE 544 HZ PHE 544 1.607 -13.818 7.148 118 H ASN 545 H ASN 545 -5.916 -12.054 5.902 119 HA ASN 545 HA ASN 545 -8.187 -13.716 5.399 120 HB2 ASN 545 HB2 ASN 545 -9.025 -13.329 7.820 121 HB3 ASN 545 HB3 ASN 545 -7.767 -14.533 7.623 122 HD21 ASN 545 HD21 ASN 545 -5.626 -14.056 8.187 123 HD22 ASN 545 HD22 ASN 545 -5.218 -12.787 9.292 124 H SER 546 H SER 546 -6.893 -10.798 7.155 125 HA SER 546 HA SER 546 -8.312 -9.045 5.502 126 HB2 SER 546 HB2 SER 546 -9.557 -9.811 8.122 127 HB3 SER 546 HB3 SER 546 -9.579 -8.107 7.711 128 HG SER 546 HG SER 546 -10.991 -10.251 6.568 129 HA PRO 547 HA PRO 547 -4.770 -7.530 7.988 130 HB2 PRO 547 HB2 PRO 547 -2.945 -7.231 5.976 131 HB3 PRO 547 HB3 PRO 547 -3.020 -8.652 6.998 132 HG2 PRO 547 HG2 PRO 547 -3.906 -8.336 4.196 133 HG3 PRO 547 HG3 PRO 547 -3.579 -9.811 5.084 134 HD2 PRO 547 HD2 PRO 547 -6.157 -8.722 4.457 135 HD3 PRO 547 HD3 PRO 547 -5.826 -10.132 5.442 136 H TYR 548 H TYR 548 -3.774 -5.407 8.122 137 HA TYR 548 HA TYR 548 -5.285 -3.555 6.404 138 HB2 TYR 548 HB2 TYR 548 -4.709 -3.842 9.335 139 HB3 TYR 548 HB3 TYR 548 -4.415 -2.221 8.736 140 HD1 TYR 548 HD2 TYR 548 -6.281 -0.883 7.767 141 HD2 TYR 548 HD1 TYR 548 -6.949 -4.710 9.559 142 HE1 TYR 548 HE2 TYR 548 -8.766 -0.376 7.942 143 HE2 TYR 548 HE1 TYR 548 -9.432 -4.189 9.728 144 HH TYR 548 HH TYR 548 -10.996 -2.343 8.130 145 H ILE 549 H ILE 549 -4.194 -1.682 5.627 146 HA ILE 549 HA ILE 549 -1.275 -1.845 5.920 147 HB ILE 549 HB ILE 549 -1.413 -2.347 3.742 148 HG12 ILE 549 HG11 ILE 549 -1.879 0.647 3.592 149 HG13 ILE 549 HG12 ILE 549 -0.333 -0.140 3.840 150 HG21 ILE 549 HG21 ILE 549 -3.312 -1.598 2.245 151 HG22 ILE 549 HG22 ILE 549 -3.745 -2.705 3.569 152 HG23 ILE 549 HG23 ILE 549 -4.102 -0.967 3.710 153 HD11 ILE 549 HD11 ILE 549 -1.822 0.277 1.349 154 HD12 ILE 549 HD12 ILE 549 -0.115 -0.170 1.582 155 HD13 ILE 549 HD13 ILE 549 -1.370 -1.431 1.567 156 H HIS 550 H HIS 550 -0.130 0.100 6.238 157 HA HIS 550 HA HIS 550 -1.829 2.450 6.617 158 HB2 HIS 550 HB2 HIS 550 -1.280 1.266 8.784 159 HB3 HIS 550 HB3 HIS 550 0.407 1.643 8.492 160 HD1 HIS 550 HD1 HIS 550 -1.360 4.492 7.247 161 HD2 HIS 550 HE2 HIS 550 -0.379 3.096 11.079 162 HE1 HIS 550 HE1 HIS 550 -1.538 6.503 8.807 163 H TYR 551 H TYR 551 -1.157 4.077 5.320 164 HA TYR 551 HA TYR 551 1.724 4.218 4.750 165 HB2 TYR 551 HB2 TYR 551 0.517 5.248 2.507 166 HB3 TYR 551 HB3 TYR 551 0.898 3.543 2.644 167 HD1 TYR 551 HD2 TYR 551 -1.848 6.005 3.248 168 HD2 TYR 551 HD1 TYR 551 -0.803 1.924 2.502 169 HE1 TYR 551 HE2 TYR 551 -4.304 5.424 2.947 170 HE2 TYR 551 HE1 TYR 551 -3.264 1.357 2.203 171 HH TYR 551 HH TYR 551 -5.338 2.663 1.500 172 H ARG 552 H ARG 552 2.437 6.425 4.045 173 HA ARG 552 HA ARG 552 0.604 8.489 4.900 174 HB2 ARG 552 HB2 ARG 552 1.924 9.291 6.618 175 HB3 ARG 552 HB3 ARG 552 2.500 7.637 6.668 176 HG2 ARG 552 HG2 ARG 552 4.283 8.373 4.924 177 HG3 ARG 552 HG3 ARG 552 3.811 10.019 5.295 178 HD2 ARG 552 HD2 ARG 552 4.198 9.335 7.808 179 HD3 ARG 552 HD3 ARG 552 5.072 7.967 7.149 180 HE ARG 552 HE ARG 552 5.873 10.811 6.984 181 HH11 ARG 552 HH22 ARG 552 6.486 7.487 5.921 182 HH12 ARG 552 HH21 ARG 552 8.106 7.818 5.406 183 HH22 ARG 552 HH1 ARG 552 8.982 10.037 5.641 184 HA PRO 553 HA PRO 553 2.547 10.777 1.723 185 HB2 PRO 553 HB2 PRO 553 2.886 13.312 2.687 186 HB3 PRO 553 HB3 PRO 553 1.342 12.696 2.131 187 HG2 PRO 553 HG2 PRO 553 2.270 13.142 4.902 188 HG3 PRO 553 HG3 PRO 553 0.632 12.942 4.312 189 HD2 PRO 553 HD2 PRO 553 2.214 10.980 5.680 190 HD3 PRO 553 HD3 PRO 553 0.621 10.745 4.988 191 H ALA 554 H ALA 554 4.425 11.814 0.736 192 HA ALA 554 HA ALA 554 6.710 10.689 1.053 193 HB1 ALA 554 HB1 ALA 554 7.244 13.560 1.170 194 HB2 ALA 554 HB2 ALA 554 7.459 12.419 -0.179 195 HB3 ALA 554 HB3 ALA 554 5.877 13.189 0.092 196 H GLY 555 H GLY 555 5.764 13.411 3.271 197 HA2 GLY 555 HA2 GLY 555 6.822 12.114 5.557 198 HA3 GLY 555 HA3 GLY 555 7.971 13.290 4.949 199 H GLY 556 H GLY 556 4.564 12.856 6.043 200 HA2 GLY 556 HA2 GLY 556 4.624 15.639 7.012 201 HA3 GLY 556 HA3 GLY 556 3.280 15.073 6.040 202 H SER 557 H SER 557 1.720 13.637 6.918 203 HA SER 557 HA SER 557 2.132 13.074 9.751 204 HB2 SER 557 HB2 SER 557 -0.672 13.174 9.195 205 HB3 SER 557 HB3 SER 557 0.261 14.241 10.225 206 HG SER 557 HG SER 557 0.388 15.750 8.653 207 H TRP 558 H TRP 558 1.280 11.032 10.525 208 HA TRP 558 HA TRP 558 1.110 9.053 8.421 209 HB2 TRP 558 HB2 TRP 558 1.660 9.077 11.332 210 HB3 TRP 558 HB3 TRP 558 0.847 7.654 10.712 211 HD1 TRP 558 HD TRP 558 4.248 9.392 10.644 212 HE1 TRP 558 HE1 TRP 558 6.093 7.887 9.507 213 HE3 TRP 558 HE3 TRP 558 1.036 5.861 8.892 214 HZ2 TRP 558 HZ2 TRP 558 6.005 5.443 8.036 215 HZ3 TRP 558 HZ3 TRP 558 1.997 3.948 7.615 216 HH2 TRP 558 HH TRP 558 4.390 3.706 7.178 217 H THR 559 H THR 559 -0.829 8.423 7.578 218 HA THR 559 HA THR 559 -3.246 9.477 8.201 219 HB THR 559 HB THR 559 -2.892 6.578 7.326 220 HG1 THR 559 HG1 THR 559 -2.547 9.066 5.813 221 HG21 THR 559 HG21 THR 559 -4.849 8.823 6.874 222 HG22 THR 559 HG22 THR 559 -4.472 7.789 5.476 223 HG23 THR 559 HG23 THR 559 -5.146 7.070 6.959 224 H ALA 560 H ALA 560 -5.239 8.321 9.097 225 HA ALA 560 HA ALA 560 -4.770 7.886 11.837 226 HB1 ALA 560 HB1 ALA 560 -7.327 6.917 10.721 227 HB2 ALA 560 HB2 ALA 560 -7.017 8.158 11.958 228 HB3 ALA 560 HB3 ALA 560 -6.907 8.575 10.231 229 H ALA 561 H ALA 561 -3.686 6.123 12.586 230 HA ALA 561 HA ALA 561 -3.749 3.655 11.152 231 HB1 ALA 561 HB1 ALA 561 -2.749 3.798 13.962 232 HB2 ALA 561 HB2 ALA 561 -1.992 3.095 12.512 233 HB3 ALA 561 HB3 ALA 561 -1.949 4.855 12.773 234 HA PRO 562 HA PRO 562 -3.774 1.804 11.215 235 HB2 PRO 562 HB2 PRO 562 -5.376 -0.104 10.093 236 HB3 PRO 562 HB3 PRO 562 -4.348 -0.409 11.479 237 HG2 PRO 562 HG2 PRO 562 -7.281 -0.051 11.390 238 HG3 PRO 562 HG3 PRO 562 -6.300 -0.764 12.655 239 HD2 PRO 562 HD2 PRO 562 -7.476 1.852 12.664 240 HD3 PRO 562 HD3 PRO 562 -6.401 1.182 13.875 241 H GLY 563 H GLY 563 -3.338 2.129 9.024 242 HA2 GLY 563 HA2 GLY 563 -4.482 4.294 7.852 243 HA3 GLY 563 HA3 GLY 563 -3.725 2.982 6.971 244 H VAL 564 H VAL 564 -4.973 1.618 5.703 245 HA VAL 564 HA VAL 564 -7.865 1.702 6.125 246 HB VAL 564 HB VAL 564 -6.738 1.834 3.354 247 HG11 VAL 564 HG11 VAL 564 -9.373 2.305 4.702 248 HG12 VAL 564 HG12 VAL 564 -9.004 3.196 3.206 249 HG13 VAL 564 HG13 VAL 564 -8.995 1.416 3.207 250 HG21 VAL 564 HG21 VAL 564 -7.247 4.230 5.148 251 HG22 VAL 564 HG22 VAL 564 -5.685 3.725 4.460 252 HG23 VAL 564 HG23 VAL 564 -6.984 4.303 3.389 253 H LYS 565 H LYS 565 -8.983 -0.159 5.089 254 HA LYS 565 HA LYS 565 -7.255 -2.487 5.248 255 HB2 LYS 565 HB2 LYS 565 -9.566 -2.112 6.431 256 HB3 LYS 565 HB3 LYS 565 -10.239 -2.575 4.881 257 HG2 LYS 565 HG2 LYS 565 -8.037 -4.349 5.783 258 HG3 LYS 565 HG3 LYS 565 -9.410 -4.339 6.872 259 HD2 LYS 565 HD2 LYS 565 -9.826 -4.646 3.878 260 HD3 LYS 565 HD3 LYS 565 -9.393 -6.032 4.858 261 HE2 LYS 565 HE2 LYS 565 -11.598 -6.257 5.356 262 HE3 LYS 565 HE3 LYS 565 -11.457 -4.807 6.330 263 HZ2 LYS 565 HZ2 LYS 565 -11.828 -4.424 3.454 264 HZ3 LYS 565 HZ3 LYS 565 -13.123 -4.944 4.293 265 H MET 566 H MET 566 -6.345 -3.334 3.462 266 HA MET 566 HA MET 566 -6.475 -2.433 1.005 267 HB2 MET 566 HB2 MET 566 -6.387 -5.357 1.923 268 HB3 MET 566 HB3 MET 566 -6.016 -4.881 0.277 269 HG2 MET 566 HG2 MET 566 -4.381 -3.141 1.585 270 HG3 MET 566 HG3 MET 566 -4.439 -4.409 2.793 271 HE1 MET 566 HE1 MET 566 -2.892 -2.901 0.273 272 HE2 MET 566 HE2 MET 566 -1.532 -3.993 -0.082 273 HE3 MET 566 HE3 MET 566 -2.924 -3.915 -1.189 274 H GLN 567 H GLN 567 -7.905 -2.243 -0.682 275 HA GLN 567 HA GLN 567 -10.457 -3.573 -0.304 276 HB2 GLN 567 HB2 GLN 567 -9.615 -0.961 -1.306 277 HB3 GLN 567 HB3 GLN 567 -10.634 -1.767 -2.482 278 HG2 GLN 567 HG2 GLN 567 -12.132 -2.314 -0.327 279 HG3 GLN 567 HG3 GLN 567 -11.294 -0.930 0.345 280 HE21 GLN 567 HE12 GLN 567 -13.654 -2.070 -1.868 281 HE22 GLN 567 HE22 GLN 567 -14.224 -0.550 -2.471 282 H ASP 568 H ASP 568 -10.886 -5.387 -1.477 283 HA ASP 568 HA ASP 568 -9.258 -6.654 -3.095 284 HB2 ASP 568 HB2 ASP 568 -12.010 -6.785 -2.484 285 HB3 ASP 568 HB3 ASP 568 -11.974 -6.735 -4.235 286 HD2 ASP 568 HD ASP 568 -10.749 -9.790 -2.069 287 H ALA 569 H ALA 569 -8.951 -6.826 -5.470 288 HA ALA 569 HA ALA 569 -9.258 -4.252 -6.772 289 HB1 ALA 569 HB1 ALA 569 -7.170 -5.916 -6.664 290 HB2 ALA 569 HB2 ALA 569 -7.982 -6.634 -8.076 291 HB3 ALA 569 HB3 ALA 569 -7.496 -4.922 -8.104 292 H GLU 570 H GLU 570 -9.172 -5.775 -9.450 293 HA GLU 570 HA GLU 570 -11.976 -6.573 -9.453 294 HB2 GLU 570 HB2 GLU 570 -12.259 -5.463 -11.639 295 HB3 GLU 570 HB3 GLU 570 -11.770 -4.308 -10.415 296 HG2 GLU 570 HG2 GLU 570 -9.310 -5.150 -11.366 297 HG3 GLU 570 HG3 GLU 570 -10.289 -5.263 -12.816 298 HE2 GLU 570 HE GLU 570 -8.376 -2.625 -12.198 299 H ILE 571 H ILE 571 -8.958 -7.727 -9.616 300 HA ILE 571 HA ILE 571 -9.115 -9.170 -12.099 301 HB ILE 571 HB ILE 571 -7.174 -9.203 -9.791 302 HG12 ILE 571 HG11 ILE 571 -7.402 -7.204 -11.450 303 HG13 ILE 571 HG12 ILE 571 -5.816 -7.820 -11.030 304 HG21 ILE 571 HG21 ILE 571 -7.330 -10.917 -12.251 305 HG22 ILE 571 HG22 ILE 571 -5.748 -10.466 -11.571 306 HG23 ILE 571 HG23 ILE 571 -6.922 -11.360 -10.576 307 HD11 ILE 571 HD11 ILE 571 -7.156 -9.127 -13.370 308 HD12 ILE 571 HD12 ILE 571 -6.607 -7.449 -13.595 309 HD13 ILE 571 HD13 ILE 571 -5.443 -8.711 -13.128 310 H SER 572 H SER 572 -8.177 -10.755 -9.051 311 HA SER 572 HA SER 572 -10.542 -11.995 -8.472 312 HB2 SER 572 HB2 SER 572 -9.743 -12.955 -10.912 313 HB3 SER 572 HB3 SER 572 -8.935 -14.098 -9.857 314 HG SER 572 HG SER 572 -11.516 -14.096 -10.584 315 H GLY 573 H GLY 573 -9.753 -11.748 -6.343 316 HA2 GLY 573 HA2 GLY 573 -8.848 -12.817 -4.503 317 HA3 GLY 573 HA3 GLY 573 -7.755 -13.717 -5.535 318 H TYR 574 H TYR 574 -7.881 -10.411 -6.476 319 HA TYR 574 HA TYR 574 -5.323 -9.957 -5.116 320 HB2 TYR 574 HB2 TYR 574 -6.668 -9.343 -7.722 321 HB3 TYR 574 HB3 TYR 574 -5.847 -7.951 -7.045 322 HD1 TYR 574 HD1 TYR 574 -3.351 -8.390 -6.250 323 HD2 TYR 574 HD2 TYR 574 -5.466 -10.817 -9.068 324 HE1 TYR 574 HE1 TYR 574 -1.145 -9.248 -7.178 325 HE2 TYR 574 HE2 TYR 574 -3.253 -11.666 -9.987 326 HH TYR 574 HH TYR 574 -1.061 -11.855 -9.504 327 H ALA 575 H ALA 575 -4.862 -7.732 -4.336 328 HA ALA 575 HA ALA 575 -7.338 -6.437 -3.413 329 HB1 ALA 575 HB1 ALA 575 -6.540 -6.922 -1.359 330 HB2 ALA 575 HB2 ALA 575 -4.956 -7.412 -2.006 331 HB3 ALA 575 HB3 ALA 575 -5.289 -5.696 -1.671 332 H LYS 576 H LYS 576 -7.228 -4.073 -3.192 333 HA LYS 576 HA LYS 576 -4.980 -2.773 -4.450 334 HB2 LYS 576 HB2 LYS 576 -6.110 -1.836 -6.282 335 HB3 LYS 576 HB3 LYS 576 -6.530 -3.536 -6.316 336 HG2 LYS 576 HG2 LYS 576 -8.700 -3.077 -5.244 337 HG3 LYS 576 HG3 LYS 576 -8.275 -1.392 -5.017 338 HD2 LYS 576 HD2 LYS 576 -8.191 -2.540 -7.814 339 HD3 LYS 576 HD3 LYS 576 -9.751 -2.170 -7.107 340 HE2 LYS 576 HE2 LYS 576 -8.052 0.073 -6.549 341 HE3 LYS 576 HE3 LYS 576 -7.790 -0.344 -8.231 342 HZ2 LYS 576 HZ2 LYS 576 -9.714 0.741 -8.604 343 HZ3 LYS 576 HZ3 LYS 576 -10.509 -0.505 -7.919 344 H ILE 577 H ILE 577 -4.628 -0.791 -3.533 345 HA ILE 577 HA ILE 577 -6.867 0.393 -2.069 346 HB ILE 577 HB ILE 577 -5.909 0.278 -0.075 347 HG12 ILE 577 HG11 ILE 577 -4.266 1.973 -0.544 348 HG13 ILE 577 HG12 ILE 577 -3.512 0.687 0.376 349 HG21 ILE 577 HG21 ILE 577 -4.109 -1.734 -1.453 350 HG22 ILE 577 HG22 ILE 577 -4.409 -1.626 0.298 351 HG23 ILE 577 HG23 ILE 577 -5.740 -2.040 -0.809 352 HD11 ILE 577 HD11 ILE 577 -3.294 0.075 -2.455 353 HD12 ILE 577 HD12 ILE 577 -2.691 1.721 -2.147 354 HD13 ILE 577 HD13 ILE 577 -1.995 0.339 -1.266 355 H THR 578 H THR 578 -6.772 2.700 -1.892 356 HA THR 578 HA THR 578 -4.731 3.907 -3.643 357 HB THR 578 HB THR 578 -7.584 4.925 -3.325 358 HG1 THR 578 HG1 THR 578 -6.400 2.992 -5.195 359 HG21 THR 578 HG21 THR 578 -5.234 5.516 -5.017 360 HG22 THR 578 HG22 THR 578 -6.681 5.133 -5.981 361 HG23 THR 578 HG23 THR 578 -6.726 6.462 -4.797 362 H VAL 579 H VAL 579 -3.647 5.673 -2.910 363 HA VAL 579 HA VAL 579 -4.586 6.778 -0.359 364 HB VAL 579 HB VAL 579 -1.687 6.297 -1.032 365 HG11 VAL 579 HG11 VAL 579 -3.130 6.846 1.584 366 HG12 VAL 579 HG12 VAL 579 -1.382 6.566 1.399 367 HG13 VAL 579 HG13 VAL 579 -2.137 8.002 0.666 368 HG21 VAL 579 HG21 VAL 579 -1.913 4.371 0.656 369 HG22 VAL 579 HG22 VAL 579 -3.660 4.453 0.325 370 HG23 VAL 579 HG23 VAL 579 -2.520 4.096 -0.994 371 H ASP 580 H ASP 580 -4.909 8.936 -0.489 372 HA ASP 580 HA ASP 580 -3.982 10.253 -2.854 373 HB2 ASP 580 HB2 ASP 580 -5.211 12.019 -0.886 374 HB3 ASP 580 HB3 ASP 580 -5.775 11.601 -2.492 375 HD2 ASP 580 HD ASP 580 -8.089 10.759 0.149 376 H ILE 581 H ILE 581 -2.207 11.676 -2.898 377 HA ILE 581 HA ILE 581 -0.939 12.213 -0.307 378 HB ILE 581 HB ILE 581 1.095 12.620 -1.767 379 HG12 ILE 581 HG11 ILE 581 -0.610 11.180 -3.822 380 HG13 ILE 581 HG12 ILE 581 -0.102 12.855 -3.910 381 HG21 ILE 581 HG21 ILE 581 1.785 10.515 -1.327 382 HG22 ILE 581 HG22 ILE 581 0.242 10.437 -0.444 383 HG23 ILE 581 HG23 ILE 581 0.362 9.765 -2.088 384 HD11 ILE 581 HD11 ILE 581 1.551 10.349 -4.204 385 HD12 ILE 581 HD12 ILE 581 1.564 11.834 -5.186 386 HD13 ILE 581 HD13 ILE 581 2.335 11.821 -3.582 387 H GLY 582 H GLY 582 -1.828 13.639 -3.508 388 HA2 GLY 582 HA2 GLY 582 -2.105 15.779 -4.149 389 HA3 GLY 582 HA3 GLY 582 -2.818 16.008 -2.564 390 H SER 583 H SER 583 0.092 16.388 -4.553 391 HA SER 583 HA SER 583 1.602 18.002 -4.360 392 HB2 SER 583 HB2 SER 583 -0.048 18.955 -2.459 393 HB3 SER 583 HB3 SER 583 1.239 18.412 -1.400 394 HG SER 583 HG SER 583 1.582 20.611 -2.033 395 H ALA 584 H ALA 584 2.027 15.216 -4.166 396 HA ALA 584 HA ALA 584 4.528 15.206 -2.738 397 HB1 ALA 584 HB1 ALA 584 2.209 14.233 -1.446 398 HB2 ALA 584 HB2 ALA 584 3.089 12.791 -2.008 399 HB3 ALA 584 HB3 ALA 584 3.903 13.978 -0.961 400 H SER 585 H SER 585 5.973 13.634 -3.584 401 HA SER 585 HA SER 585 4.898 12.310 -5.950 402 HB2 SER 585 HB2 SER 585 7.223 12.428 -6.859 403 HB3 SER 585 HB3 SER 585 6.539 14.012 -6.551 404 HG SER 585 HG SER 585 8.827 13.547 -5.780 405 H GLN 586 H GLN 586 5.701 11.745 -2.796 406 HA GLN 586 HA GLN 586 6.252 8.992 -3.372 407 HB2 GLN 586 HB2 GLN 586 8.196 10.735 -1.804 408 HB3 GLN 586 HB3 GLN 586 8.185 8.987 -1.683 409 HG2 GLN 586 HG2 GLN 586 8.508 8.842 -4.183 410 HG3 GLN 586 HG3 GLN 586 8.600 10.591 -4.250 411 HE21 GLN 586 HE12 GLN 586 10.436 8.032 -4.469 412 HE22 GLN 586 HE22 GLN 586 11.910 8.532 -3.709 413 H LEU 587 H LEU 587 5.431 7.611 -1.757 414 HA LEU 587 HA LEU 587 4.588 8.856 0.737 415 HB2 LEU 587 HB2 LEU 587 2.517 9.086 -0.022 416 HB3 LEU 587 HB3 LEU 587 2.818 8.102 -1.440 417 HG LEU 587 HG LEU 587 2.492 6.706 1.185 418 HD11 LEU 587 HD11 LEU 587 0.427 7.394 1.599 419 HD12 LEU 587 HD12 LEU 587 0.564 8.571 0.271 420 HD13 LEU 587 HD13 LEU 587 -0.083 6.944 -0.046 421 HD21 LEU 587 HD21 LEU 587 2.339 6.078 -1.683 422 HD22 LEU 587 HD22 LEU 587 2.739 5.041 -0.293 423 HD23 LEU 587 HD23 LEU 587 1.037 5.362 -0.704 424 H GLU 588 H GLU 588 4.554 7.417 2.496 425 HA GLU 588 HA GLU 588 5.933 4.951 1.913 426 HB2 GLU 588 HB2 GLU 588 6.860 6.361 3.685 427 HB3 GLU 588 HB3 GLU 588 5.323 6.396 4.527 428 HG2 GLU 588 HG2 GLU 588 5.533 4.208 5.310 429 HG3 GLU 588 HG3 GLU 588 6.485 3.686 3.935 430 HE2 GLU 588 HE GLU 588 8.012 5.214 7.228 431 H ALA 589 H ALA 589 5.171 2.862 2.630 432 HA ALA 589 HA ALA 589 2.433 2.777 3.622 433 HB1 ALA 589 HB1 ALA 589 2.897 2.585 0.921 434 HB2 ALA 589 HB2 ALA 589 2.990 0.878 1.418 435 HB3 ALA 589 HB3 ALA 589 1.526 1.829 1.768 436 H ALA 590 H ALA 590 2.065 1.022 4.982 437 HA ALA 590 HA ALA 590 4.268 -0.911 5.173 438 HB1 ALA 590 HB1 ALA 590 2.886 -0.281 7.698 439 HB2 ALA 590 HB2 ALA 590 4.627 -0.419 7.352 440 HB3 ALA 590 HB3 ALA 590 3.769 1.103 7.010 441 H PHE 591 H PHE 591 3.551 -2.968 6.311 442 HA PHE 591 HA PHE 591 0.709 -3.443 5.742 443 HB2 PHE 591 HB2 PHE 591 3.299 -4.875 5.106 444 HB3 PHE 591 HB3 PHE 591 1.945 -5.903 5.532 445 HD1 PHE 591 HD1 PHE 591 -0.291 -4.348 4.299 446 HD2 PHE 591 HD2 PHE 591 3.573 -5.302 2.826 447 HE1 PHE 591 HE1 PHE 591 -1.150 -4.192 1.946 448 HE2 PHE 591 HE2 PHE 591 2.714 -5.146 0.472 449 HZ PHE 591 HZ PHE 591 0.363 -4.593 0.060 450 H ASN 592 H ASN 592 -0.489 -4.204 7.431 451 HA ASN 592 HA ASN 592 0.934 -5.612 9.520 452 HB2 ASN 592 HB2 ASN 592 -0.108 -4.275 11.295 453 HB3 ASN 592 HB3 ASN 592 0.730 -3.182 10.211 454 HD21 ASN 592 HD21 ASN 592 -0.371 -1.747 8.972 455 HD22 ASN 592 HD22 ASN 592 -2.073 -1.447 9.091 456 H ASP 593 H ASP 593 -0.365 -7.308 10.383 457 HA ASP 593 HA ASP 593 -2.559 -8.104 8.932 458 HB2 ASP 593 HB2 ASP 593 -2.933 -9.702 10.873 459 HB3 ASP 593 HB3 ASP 593 -1.311 -9.723 10.210 460 HD2 ASP 593 HD ASP 593 -1.417 -10.713 12.544 461 H GLY 594 H GLY 594 -2.166 -5.973 11.744 462 HA2 GLY 594 HA2 GLY 594 -3.813 -4.377 12.286 463 HA3 GLY 594 HA3 GLY 594 -5.068 -5.480 11.754 464 H ASN 595 H ASN 595 -2.772 -7.338 13.397 465 HA ASN 595 HA ASN 595 -4.356 -7.107 15.830 466 HB2 ASN 595 HB2 ASN 595 -3.761 -9.358 14.237 467 HB3 ASN 595 HB3 ASN 595 -2.638 -9.506 15.574 468 HD21 ASN 595 HD21 ASN 595 -4.085 -11.460 15.781 469 HD22 ASN 595 HD22 ASN 595 -5.460 -11.333 16.827 470 H ASN 596 H ASN 596 -1.113 -7.223 14.328 471 HA ASN 596 HA ASN 596 0.101 -5.740 16.247 472 HB2 ASN 596 HB2 ASN 596 -0.370 -8.122 17.465 473 HB3 ASN 596 HB3 ASN 596 1.119 -8.556 16.650 474 HD21 ASN 596 HD21 ASN 596 0.679 -8.355 19.455 475 HD22 ASN 596 HD22 ASN 596 1.734 -7.140 20.098 476 H ASN 597 H ASN 597 0.309 -8.552 14.014 477 HA ASN 597 HA ASN 597 2.910 -8.586 13.377 478 HB2 ASN 597 HB2 ASN 597 0.829 -9.908 12.407 479 HB3 ASN 597 HB3 ASN 597 0.804 -8.660 11.177 480 HD21 ASN 597 HD21 ASN 597 1.349 -11.508 10.957 481 HD22 ASN 597 HD22 ASN 597 2.917 -11.687 10.245 482 H TRP 598 H TRP 598 4.300 -6.959 12.673 483 HA TRP 598 HA TRP 598 3.128 -4.843 10.999 484 HB2 TRP 598 HB2 TRP 598 4.943 -4.678 13.369 485 HB3 TRP 598 HB3 TRP 598 5.127 -3.507 12.078 486 HD1 TRP 598 HD TRP 598 3.117 -4.075 15.153 487 HE1 TRP 598 HE1 TRP 598 1.117 -2.375 15.422 488 HE3 TRP 598 HE3 TRP 598 3.302 -2.295 10.394 489 HZ2 TRP 598 HZ2 TRP 598 -0.135 -0.517 13.653 490 HZ3 TRP 598 HZ3 TRP 598 1.655 -0.539 9.746 491 HH2 TRP 598 HH TRP 598 -0.021 0.348 11.287 492 H ASP 599 H ASP 599 4.164 -4.537 9.044 493 HA ASP 599 HA ASP 599 6.772 -5.802 8.783 494 HB2 ASP 599 HB2 ASP 599 4.292 -6.463 7.412 495 HB3 ASP 599 HB3 ASP 599 5.445 -5.852 6.242 496 HD2 ASP 599 HD ASP 599 7.671 -8.577 6.894 497 H SER 600 H SER 600 8.021 -4.842 6.855 498 HA SER 600 HA SER 600 7.012 -2.528 5.624 499 HB2 SER 600 HB2 SER 600 9.196 -2.093 7.709 500 HB3 SER 600 HB3 SER 600 8.569 -0.876 6.616 501 HG SER 600 HG SER 600 6.953 -0.524 7.965 502 H ASN 601 H ASN 601 10.308 -3.446 6.868 503 HA ASN 601 HA ASN 601 11.158 -4.842 4.721 504 HB2 ASN 601 HB2 ASN 601 10.905 -3.030 3.176 505 HB3 ASN 601 HB3 ASN 601 11.446 -1.838 4.341 506 HD21 ASN 601 HD21 ASN 601 13.346 -1.037 3.931 507 HD22 ASN 601 HD22 ASN 601 14.703 -1.843 3.218 508 H ASN 602 H ASN 602 12.366 -1.807 6.359 509 HA ASN 602 HA ASN 602 14.204 -3.466 7.855 510 HB2 ASN 602 HB2 ASN 602 14.921 -1.353 5.841 511 HB3 ASN 602 HB3 ASN 602 15.824 -1.306 7.342 512 HD21 ASN 602 HD21 ASN 602 17.509 -2.574 7.565 513 HD22 ASN 602 HD22 ASN 602 17.917 -3.947 6.591 514 H THR 603 H THR 603 14.077 0.109 7.252 515 HA THR 603 HA THR 603 12.559 0.638 9.621 516 HB THR 603 HB THR 603 14.892 0.032 10.486 517 HG1 THR 603 HG1 THR 603 13.854 2.776 10.602 518 HG21 THR 603 HG21 THR 603 16.056 2.623 9.998 519 HG22 THR 603 HG22 THR 603 16.722 1.032 9.558 520 HG23 THR 603 HG23 THR 603 15.671 1.903 8.416 521 H LYS 604 H LYS 604 12.657 1.135 6.637 522 HA LYS 604 HA LYS 604 12.086 3.955 6.868 523 HB2 LYS 604 HB2 LYS 604 13.516 4.494 4.869 524 HB3 LYS 604 HB3 LYS 604 14.388 4.181 6.356 525 HG2 LYS 604 HG2 LYS 604 15.516 2.471 5.387 526 HG3 LYS 604 HG3 LYS 604 14.014 1.659 4.991 527 HD2 LYS 604 HD2 LYS 604 13.806 2.968 2.905 528 HD3 LYS 604 HD3 LYS 604 15.225 3.910 3.317 529 HE2 LYS 604 HE2 LYS 604 15.531 0.913 3.247 530 HE3 LYS 604 HE3 LYS 604 15.355 1.738 1.711 531 HZ2 LYS 604 HZ2 LYS 604 17.182 3.253 3.094 532 HZ3 LYS 604 HZ3 LYS 604 17.609 1.726 3.466 533 H ASN 605 H ASN 605 10.840 1.174 6.362 534 HA ASN 605 HA ASN 605 9.525 0.169 4.912 535 HB2 ASN 605 HB2 ASN 605 8.372 2.475 5.856 536 HB3 ASN 605 HB3 ASN 605 8.255 2.782 4.135 537 HD21 ASN 605 HD21 ASN 605 6.192 2.243 6.139 538 HD22 ASN 605 HD22 ASN 605 5.282 0.878 5.585 539 H TYR 606 H TYR 606 8.106 1.623 2.611 540 HA TYR 606 HA TYR 606 10.400 1.854 0.781 541 HB2 TYR 606 HB2 TYR 606 7.739 0.368 0.748 542 HB3 TYR 606 HB3 TYR 606 8.347 0.960 -0.786 543 HD1 TYR 606 HD2 TYR 606 11.080 0.429 -0.985 544 HD2 TYR 606 HD1 TYR 606 8.155 -1.873 1.125 545 HE1 TYR 606 HE2 TYR 606 12.545 -1.638 -1.195 546 HE2 TYR 606 HE1 TYR 606 9.631 -3.933 0.908 547 HH TYR 606 HH TYR 606 11.463 -4.659 -0.812 548 H LEU 607 H LEU 607 10.070 3.260 -1.083 549 HA LEU 607 HA LEU 607 8.106 5.345 -0.466 550 HB2 LEU 607 HB2 LEU 607 10.758 5.366 -1.888 551 HB3 LEU 607 HB3 LEU 607 9.606 6.674 -2.065 552 HG LEU 607 HG LEU 607 9.664 6.692 0.573 553 HD11 LEU 607 HD11 LEU 607 11.256 4.588 0.366 554 HD12 LEU 607 HD12 LEU 607 12.504 5.846 0.199 555 HD13 LEU 607 HD13 LEU 607 11.472 5.803 1.649 556 HD21 LEU 607 HD21 LEU 607 10.274 8.610 -0.687 557 HD22 LEU 607 HD22 LEU 607 11.606 8.295 0.451 558 HD23 LEU 607 HD23 LEU 607 11.774 7.843 -1.262 559 H PHE 608 H PHE 608 6.315 5.475 -1.702 560 HA PHE 608 HA PHE 608 6.498 4.308 -4.391 561 HB2 PHE 608 HB2 PHE 608 4.058 4.511 -2.534 562 HB3 PHE 608 HB3 PHE 608 4.156 3.580 -4.016 563 HD1 PHE 608 HD1 PHE 608 6.186 1.801 -3.988 564 HD2 PHE 608 HD2 PHE 608 4.207 3.336 -0.563 565 HE1 PHE 608 HE1 PHE 608 6.894 -0.218 -2.675 566 HE2 PHE 608 HE2 PHE 608 4.914 1.317 0.750 567 HZ PHE 608 HZ PHE 608 6.249 -0.435 -0.321 568 H SER 609 H SER 609 5.495 5.441 -6.094 569 HA SER 609 HA SER 609 4.606 8.107 -5.317 570 HB2 SER 609 HB2 SER 609 6.731 7.793 -6.775 571 HB3 SER 609 HB3 SER 609 5.643 7.315 -8.063 572 HG SER 609 HG SER 609 5.022 9.730 -6.693 573 H THR 610 H THR 610 3.001 9.089 -7.018 574 HA THR 610 HA THR 610 0.715 7.509 -7.096 575 HB THR 610 HB THR 610 -0.091 9.381 -8.606 576 HG1 THR 610 HG1 THR 610 2.528 10.522 -8.181 577 HG21 THR 610 HG21 THR 610 0.686 11.327 -7.077 578 HG22 THR 610 HG22 THR 610 -0.172 9.994 -6.268 579 HG23 THR 610 HG23 THR 610 1.602 10.101 -6.167 580 H GLY 611 H GLY 611 -0.532 6.782 -9.012 581 HA2 GLY 611 HA2 GLY 611 -0.358 6.219 -11.382 582 HA3 GLY 611 HA3 GLY 611 1.293 5.711 -11.083 583 H THR 612 H THR 612 1.450 3.515 -11.167 584 HA THR 612 HA THR 612 -0.582 1.984 -9.690 585 HB THR 612 HB THR 612 0.662 1.005 -12.286 586 HG1 THR 612 HG1 THR 612 -1.740 2.627 -11.809 587 HG21 THR 612 HG21 THR 612 -2.010 0.575 -10.850 588 HG22 THR 612 HG22 THR 612 -1.629 -0.070 -12.465 589 HG23 THR 612 HG23 THR 612 -0.712 -0.627 -11.045 590 H SER 613 H SER 613 0.165 0.423 -8.344 591 HA SER 613 HA SER 613 2.966 -0.274 -8.635 592 HB2 SER 613 HB2 SER 613 1.719 0.422 -5.944 593 HB3 SER 613 HB3 SER 613 3.400 0.039 -6.257 594 HG SER 613 HG SER 613 2.863 2.064 -7.900 595 H THR 614 H THR 614 3.515 -2.325 -7.414 596 HA THR 614 HA THR 614 1.137 -3.926 -6.785 597 HB THR 614 HB THR 614 3.468 -5.014 -8.415 598 HG1 THR 614 HG1 THR 614 0.931 -3.798 -9.259 599 HG21 THR 614 HG21 THR 614 0.516 -5.727 -8.043 600 HG22 THR 614 HG22 THR 614 1.522 -6.416 -9.340 601 HG23 THR 614 HG23 THR 614 1.926 -6.734 -7.636 602 H TYR 615 H TYR 615 1.268 -4.572 -4.738 603 HA TYR 615 HA TYR 615 3.935 -4.805 -3.567 604 HB2 TYR 615 HB2 TYR 615 1.314 -3.851 -2.825 605 HB3 TYR 615 HB3 TYR 615 1.568 -5.297 -1.868 606 HD1 TYR 615 HD2 TYR 615 4.637 -4.969 -1.608 607 HD2 TYR 615 HD1 TYR 615 1.369 -2.269 -1.029 608 HE1 TYR 615 HE2 TYR 615 6.029 -3.627 0.042 609 HE2 TYR 615 HE1 TYR 615 2.772 -0.936 0.620 610 HH TYR 615 HH TYR 615 6.163 -1.762 1.180 611 H THR 616 H THR 616 4.877 -6.778 -3.483 612 HA THR 616 HA THR 616 3.078 -9.103 -3.265 613 HB THR 616 HB THR 616 5.705 -8.700 -4.781 614 HG1 THR 616 HG1 THR 616 4.225 -9.031 -6.519 615 HG21 THR 616 HG21 THR 616 5.015 -11.078 -3.542 616 HG22 THR 616 HG22 THR 616 4.144 -11.224 -5.087 617 HG23 THR 616 HG23 THR 616 5.907 -10.981 -5.079 618 HA PRO 617 HA PRO 617 5.191 -9.535 0.511 619 HB2 PRO 617 HB2 PRO 617 3.595 -11.496 1.549 620 HB3 PRO 617 HB3 PRO 617 3.232 -9.788 1.695 621 HG2 PRO 617 HG2 PRO 617 1.983 -11.805 -0.070 622 HG3 PRO 617 HG3 PRO 617 1.375 -10.230 0.400 623 HD2 PRO 617 HD2 PRO 617 2.555 -10.932 -2.118 624 HD3 PRO 617 HD3 PRO 617 2.053 -9.333 -1.605 625 H GLY 618 H GLY 618 5.998 -11.516 1.908 626 HA2 GLY 618 HA2 GLY 618 7.170 -13.369 -0.082 627 HA3 GLY 618 HA3 GLY 618 8.038 -12.728 1.299 628 H SER 619 H SER 619 8.443 -14.942 2.019 629 HA SER 619 HA SER 619 6.091 -16.016 3.358 630 HB2 SER 619 HB2 SER 619 6.582 -17.422 1.386 631 HB3 SER 619 HB3 SER 619 8.248 -17.605 1.899 632 HG SER 619 HG SER 619 7.624 -18.882 3.636 633 H ASN 620 H ASN 620 6.516 -16.993 5.441 634 HA ASN 620 HA ASN 620 7.521 -17.234 7.346 635 HB2 ASN 620 HB2 ASN 620 9.835 -17.598 5.443 636 HB3 ASN 620 HB3 ASN 620 10.234 -17.377 7.135 637 HD21 ASN 620 HD21 ASN 620 9.527 -19.578 4.795 638 HD22 ASN 620 HD22 ASN 620 9.019 -20.933 5.747 639 H GLY 621 H GLY 621 6.766 -14.740 7.226 640 HA2 GLY 621 HA2 GLY 621 7.202 -12.528 7.512 641 HA3 GLY 621 HA3 GLY 621 8.240 -13.150 8.779 642 H ALA 622 H ALA 622 8.415 -13.075 5.141 643 HA ALA 622 HA ALA 622 11.050 -11.806 5.451 644 HB1 ALA 622 HB1 ALA 622 10.205 -13.835 3.344 645 HB2 ALA 622 HB2 ALA 622 11.819 -13.113 3.544 646 HB3 ALA 622 HB3 ALA 622 11.178 -14.215 4.786 647 H ALA 623 H ALA 623 10.673 -9.689 4.940 648 HA ALA 623 HA ALA 623 8.656 -8.595 3.573 649 HB1 ALA 623 HB1 ALA 623 11.323 -7.479 2.880 650 HB2 ALA 623 HB2 ALA 623 9.923 -6.702 3.657 651 HB3 ALA 623 HB3 ALA 623 11.021 -7.723 4.617 652 H GLY 624 H GLY 624 8.110 -8.089 1.403 653 HA2 GLY 624 HA2 GLY 624 9.361 -9.893 -0.557 654 HA3 GLY 624 HA3 GLY 624 7.757 -9.193 -0.649 655 H THR 625 H THR 625 7.763 -7.938 -2.485 656 HA THR 625 HA THR 625 9.504 -5.629 -2.480 657 HB THR 625 HB THR 625 10.182 -6.238 -4.920 658 HG1 THR 625 HG1 THR 625 9.084 -8.100 -5.442 659 HG21 THR 625 HG21 THR 625 12.056 -7.649 -4.234 660 HG22 THR 625 HG22 THR 625 11.761 -6.489 -2.916 661 HG23 THR 625 HG23 THR 625 11.188 -8.168 -2.769 662 H ILE 626 H ILE 626 8.899 -4.081 -4.256 663 HA ILE 626 HA ILE 626 6.059 -4.448 -4.912 664 HB ILE 626 HB ILE 626 7.081 -1.700 -4.583 665 HG12 ILE 626 HG11 ILE 626 6.505 -2.056 -2.015 666 HG13 ILE 626 HG12 ILE 626 7.076 -3.681 -2.338 667 HG21 ILE 626 HG21 ILE 626 4.704 -2.471 -5.144 668 HG22 ILE 626 HG22 ILE 626 4.586 -2.946 -3.433 669 HG23 ILE 626 HG23 ILE 626 4.897 -1.247 -3.866 670 HD11 ILE 626 HD11 ILE 626 9.146 -2.799 -1.937 671 HD12 ILE 626 HD12 ILE 626 9.023 -2.182 -3.602 672 HD13 ILE 626 HD13 ILE 626 8.593 -1.133 -2.229 673 H ARG 627 H ARG 627 5.558 -4.318 -7.045 674 HA ARG 627 HA ARG 627 7.697 -3.321 -8.748 675 HB2 ARG 627 HB2 ARG 627 5.927 -5.691 -8.886 676 HB3 ARG 627 HB3 ARG 627 5.951 -4.790 -10.389 677 HG2 ARG 627 HG2 ARG 627 7.844 -6.008 -10.817 678 HG3 ARG 627 HG3 ARG 627 8.630 -4.802 -9.817 679 HD2 ARG 627 HD1 ARG 627 9.340 -6.792 -8.787 680 HD3 ARG 627 HD2 ARG 627 7.952 -6.372 -7.803 681 HE ARG 627 HE ARG 627 6.860 -8.277 -8.596 682 HH11 ARG 627 HH22 ARG 627 9.463 -7.460 -10.856 683 HH12 ARG 627 HH21 ARG 627 9.239 -8.880 -11.821 684 HH22 ARG 627 HH1 ARG 627 7.529 -10.449 -11.222 685 H THR 628 H THR 628 7.248 -1.472 -9.921 686 HA THR 628 HA THR 628 4.628 -0.318 -9.719 687 HB THR 628 HB THR 628 6.479 0.993 -11.567 688 HG1 THR 628 HG1 THR 628 8.306 0.352 -10.498 689 HG21 THR 628 HG21 THR 628 5.158 2.511 -10.345 690 HG22 THR 628 HG22 THR 628 5.229 1.529 -8.863 691 HG23 THR 628 HG23 THR 628 6.636 2.503 -9.354 692 H GLY 629 H GLY 629 3.196 0.226 -11.422 693 HA2 GLY 629 HA2 GLY 629 2.654 0.156 -13.744 694 HA3 GLY 629 HA3 GLY 629 3.647 -1.277 -13.922 695 H ALA 630 H ALA 630 0.634 -0.617 -14.357 696 HA ALA 630 HA ALA 630 -0.863 -2.019 -12.472 697 HB1 ALA 630 HB1 ALA 630 -1.921 -2.203 -15.181 698 HB2 ALA 630 HB2 ALA 630 -2.526 -1.271 -13.791 699 HB3 ALA 630 HB3 ALA 630 -1.279 -0.576 -14.853 700 HA PRO 631 HA PRO 631 0.496 -6.047 -13.486 701 HB2 PRO 631 HB2 PRO 631 -0.863 -7.376 -11.523 702 HB3 PRO 631 HB3 PRO 631 0.705 -6.634 -11.270 703 HG2 PRO 631 HG2 PRO 631 -1.955 -5.698 -10.381 704 HG3 PRO 631 HG3 PRO 631 -0.372 -5.225 -9.795 705 HD2 PRO 631 HD2 PRO 631 -2.076 -3.719 -11.543 706 HD3 PRO 631 HD3 PRO 631 -0.448 -3.300 -11.050 707 H SER 632 H SER 632 -0.302 -8.134 -14.259 708 HA SER 632 HA SER 632 -3.109 -7.975 -14.933 709 HB2 SER 632 HB2 SER 632 -1.724 -6.992 -16.839 710 HB3 SER 632 HB3 SER 632 -0.985 -8.569 -17.038 711 HG SER 632 HG SER 632 -3.534 -9.156 -17.038 712 H GLY 633 H GLY 633 -3.363 -9.714 -13.391 713 HA2 GLY 633 HA2 GLY 633 -2.860 -12.319 -14.504 714 HA3 GLY 633 HA3 GLY 633 -1.881 -11.974 -13.092
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