NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
512277 | 2lcz | 17639 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 507 1HT ALA 507 -15.257 -12.658 -4.359 2 H2 ALA 507 2HT ALA 507 -13.546 -12.584 -4.488 3 H3 ALA 507 3HT ALA 507 -14.438 -13.661 -5.483 4 HA ALA 507 HA ALA 507 -13.596 -11.547 -6.496 5 HB1 ALA 507 1HB ALA 507 -15.402 -11.504 -7.992 6 HB2 ALA 507 2HB ALA 507 -16.556 -11.982 -6.747 7 HB3 ALA 507 3HB ALA 507 -15.382 -13.149 -7.357 8 H GLN 508 H GLN 508 -14.072 -10.821 -3.702 9 HA GLN 508 HA GLN 508 -14.673 -8.081 -4.073 10 HB2 GLN 508 2HB GLN 508 -16.674 -8.100 -2.468 11 HB3 GLN 508 1HB GLN 508 -16.962 -8.589 -4.132 12 HG2 GLN 508 2HG GLN 508 -17.670 -10.591 -3.506 13 HG3 GLN 508 1HG GLN 508 -16.248 -10.853 -2.499 14 HE21 GLN 508 1HE2 GLN 508 -16.402 -9.122 -0.532 15 HE22 GLN 508 2HE2 GLN 508 -17.859 -9.298 0.378 16 HA PRO 509 HA PRO 509 -12.125 -9.518 -0.361 17 HB2 PRO 509 2HB PRO 509 -10.307 -7.472 -1.497 18 HB3 PRO 509 1HB PRO 509 -9.944 -9.096 -0.904 19 HG2 PRO 509 2HG PRO 509 -9.938 -8.554 -3.518 20 HG3 PRO 509 1HG PRO 509 -10.540 -10.104 -2.902 21 HD2 PRO 509 2HD PRO 509 -12.072 -7.715 -3.852 22 HD3 PRO 509 1HD PRO 509 -12.403 -9.442 -4.104 23 H LYS 510 H LYS 510 -11.148 -8.027 1.321 24 HA LYS 510 HA LYS 510 -12.608 -5.473 1.444 25 HB2 LYS 510 2HB LYS 510 -12.772 -5.883 3.937 26 HB3 LYS 510 1HB LYS 510 -13.792 -6.897 2.927 27 HG2 LYS 510 2HG LYS 510 -11.311 -8.228 3.284 28 HG3 LYS 510 1HG LYS 510 -11.874 -7.676 4.862 29 HD2 LYS 510 2HD LYS 510 -12.962 -9.682 4.755 30 HD3 LYS 510 1HD LYS 510 -14.170 -8.655 3.980 31 HE2 LYS 510 2HE LYS 510 -12.672 -9.326 1.843 32 HE3 LYS 510 1HE LYS 510 -12.453 -10.764 2.838 33 HZ1 LYS 510 3HZ LYS 510 -14.499 -10.430 1.182 34 HZ2 LYS 510 1HZ LYS 510 -15.178 -9.789 2.592 35 HZ3 LYS 510 2HZ LYS 510 -14.590 -11.375 2.582 36 H CYS 511 H CYS 511 -11.249 -3.824 1.564 37 HA CYS 511 HA CYS 511 -9.413 -2.553 1.995 38 HB2 CYS 511 2HB CYS 511 -8.738 -4.446 4.240 39 HB3 CYS 511 1HB CYS 511 -8.401 -2.723 4.126 40 H ASN 512 H ASN 512 -8.085 -2.830 0.289 41 HA ASN 512 HA ASN 512 -6.451 -5.215 0.105 42 HB2 ASN 512 2HB ASN 512 -6.548 -2.919 -1.846 43 HB3 ASN 512 1HB ASN 512 -5.854 -4.509 -2.112 44 HD21 ASN 512 1HD2 ASN 512 -8.933 -2.972 -1.226 45 HD22 ASN 512 2HD2 ASN 512 -9.924 -4.067 -2.114 46 HA PRO 513 HA PRO 513 -3.067 -2.027 0.872 47 HB2 PRO 513 2HB PRO 513 -3.556 0.562 0.311 48 HB3 PRO 513 1HB PRO 513 -3.301 -0.644 -0.956 49 HG2 PRO 513 2HG PRO 513 -5.737 0.785 -0.303 50 HG3 PRO 513 1HG PRO 513 -5.426 -0.301 -1.665 51 HD2 PRO 513 2HD PRO 513 -6.685 -0.881 0.951 52 HD3 PRO 513 1HD PRO 513 -6.867 -1.713 -0.605 53 H ASN 514 H ASN 514 -5.613 -2.151 2.698 54 HA ASN 514 HA ASN 514 -4.731 -0.069 4.586 55 HB2 ASN 514 2HB ASN 514 -7.423 -0.887 3.694 56 HB3 ASN 514 1HB ASN 514 -7.251 -0.698 5.436 57 HD21 ASN 514 1HD2 ASN 514 -7.198 0.910 2.353 58 HD22 ASN 514 2HD2 ASN 514 -7.228 2.521 2.970 59 H LEU 515 H LEU 515 -3.320 -2.269 4.593 60 HA LEU 515 HA LEU 515 -4.406 -4.037 6.665 61 HB2 LEU 515 2HB LEU 515 -1.860 -4.662 5.276 62 HB3 LEU 515 1HB LEU 515 -3.127 -5.738 5.824 63 HG LEU 515 HG LEU 515 -3.223 -5.920 3.510 64 HD11 LEU 515 1HD1 LEU 515 -5.183 -3.708 3.621 65 HD12 LEU 515 2HD1 LEU 515 -5.387 -5.025 4.774 66 HD13 LEU 515 3HD1 LEU 515 -5.369 -5.363 3.043 67 HD21 LEU 515 3HD2 LEU 515 -2.276 -4.447 2.145 68 HD22 LEU 515 1HD2 LEU 515 -1.990 -3.393 3.531 69 HD23 LEU 515 2HD2 LEU 515 -3.466 -3.220 2.583 70 H HIS 516 H HIS 516 -1.145 -2.871 5.777 71 HA HIS 516 HA HIS 516 -0.735 -1.686 8.347 72 HB2 HIS 516 2HB HIS 516 0.655 -3.188 9.381 73 HB3 HIS 516 1HB HIS 516 -0.419 -4.296 8.534 74 HD1 HIS 516 1HD HIS 516 0.561 -5.624 6.571 75 HD2 HIS 516 2HD HIS 516 3.251 -3.031 8.372 76 HE1 HIS 516 1HE HIS 516 2.789 -6.178 5.568 77 HE2 HIS 516 2HE HIS 516 4.438 -4.728 6.813 78 H TYR 517 H TYR 517 1.159 -3.134 5.680 79 HA TYR 517 HA TYR 517 3.292 -1.364 5.724 80 HB2 TYR 517 2HB TYR 517 2.766 -1.990 2.984 81 HB3 TYR 517 1HB TYR 517 4.067 -2.548 4.009 82 HD1 TYR 517 2HD TYR 517 0.395 -3.435 4.130 83 HD2 TYR 517 1HD TYR 517 4.387 -4.730 3.403 84 HE1 TYR 517 2HE TYR 517 -0.405 -5.734 3.862 85 HE2 TYR 517 1HE TYR 517 3.585 -7.035 3.113 86 HH TYR 517 HH TYR 517 1.455 -8.183 2.505 87 H TRP 518 H TRP 518 0.118 -0.599 4.950 88 HA TRP 518 HA TRP 518 0.988 1.758 3.416 89 HB2 TRP 518 2HB TRP 518 -1.765 0.597 3.214 90 HB3 TRP 518 1HB TRP 518 -0.898 1.556 2.038 91 HD1 TRP 518 HD TRP 518 0.326 -1.739 3.613 92 HE1 TRP 518 1HE TRP 518 0.723 -3.407 1.750 93 HE3 TRP 518 3HE TRP 518 -1.411 1.012 -0.321 94 HZ2 TRP 518 2HZ TRP 518 0.315 -3.608 -1.026 95 HZ3 TRP 518 3HZ TRP 518 -1.378 -0.009 -2.560 96 HH2 TRP 518 HH TRP 518 -0.530 -2.272 -2.905 97 H THR 519 H THR 519 -1.378 0.440 5.625 98 HA THR 519 HA THR 519 -2.702 2.830 6.284 99 HB THR 519 HB THR 519 -3.593 0.578 6.761 100 HG1 THR 519 1HG THR 519 -4.370 1.093 8.855 101 HG21 THR 519 3HG2 THR 519 -2.661 -0.923 8.126 102 HG22 THR 519 1HG2 THR 519 -2.132 0.300 9.280 103 HG23 THR 519 2HG2 THR 519 -1.177 -0.015 7.828 104 H THR 520 H THR 520 0.259 1.437 7.420 105 HA THR 520 HA THR 520 0.434 3.199 9.709 106 HB THR 520 HB THR 520 1.825 0.821 8.769 107 HG1 THR 520 1HG THR 520 2.174 0.631 11.021 108 HG21 THR 520 3HG2 THR 520 3.955 1.402 10.030 109 HG22 THR 520 1HG2 THR 520 3.513 3.090 9.771 110 HG23 THR 520 2HG2 THR 520 3.796 2.031 8.388 111 H GLN 521 H GLN 521 2.615 2.622 6.961 112 HA GLN 521 HA GLN 521 3.486 5.401 7.173 113 HB2 GLN 521 2HB GLN 521 5.480 4.759 6.083 114 HB3 GLN 521 1HB GLN 521 5.130 3.479 7.233 115 HG2 GLN 521 2HG GLN 521 4.574 1.964 5.585 116 HG3 GLN 521 1HG GLN 521 4.246 3.221 4.398 117 HE21 GLN 521 1HE2 GLN 521 6.268 4.672 4.013 118 HE22 GLN 521 2HE2 GLN 521 7.733 3.807 3.711 119 H ASP 522 H ASP 522 4.549 5.520 4.528 120 HA ASP 522 HA ASP 522 2.070 6.084 3.077 121 HB2 ASP 522 2HB ASP 522 4.886 7.061 2.714 122 HB3 ASP 522 1HB ASP 522 3.573 7.450 1.613 123 H GLU 523 H GLU 523 2.990 3.426 3.223 124 HA GLU 523 HA GLU 523 3.463 1.589 1.947 125 HB2 GLU 523 2HB GLU 523 2.664 3.134 -0.491 126 HB3 GLU 523 1HB GLU 523 2.337 1.455 -0.082 127 HG2 GLU 523 2HG GLU 523 0.701 2.080 1.510 128 HG3 GLU 523 1HG GLU 523 1.125 3.782 1.373 129 H GLY 524 H GLY 524 5.558 3.418 2.419 130 HA2 GLY 524 2HA GLY 524 7.824 3.269 1.834 131 HA3 GLY 524 1HA GLY 524 7.353 2.597 0.282 132 H ALA 525 H ALA 525 6.023 5.571 1.635 133 HA ALA 525 HA ALA 525 7.454 7.027 -0.484 134 HB1 ALA 525 1HB ALA 525 4.781 6.664 -0.438 135 HB2 ALA 525 2HB ALA 525 5.582 8.038 -1.198 136 HB3 ALA 525 3HB ALA 525 4.920 8.193 0.428 137 H ALA 526 H ALA 526 7.176 6.733 2.818 138 HA ALA 526 HA ALA 526 7.559 9.522 3.378 139 HB1 ALA 526 1HB ALA 526 7.338 8.994 5.674 140 HB2 ALA 526 2HB ALA 526 7.627 7.281 5.369 141 HB3 ALA 526 3HB ALA 526 6.132 8.036 4.816 142 H ILE 527 H ILE 527 9.542 7.614 2.006 143 HA ILE 527 HA ILE 527 11.867 8.421 3.612 144 HB ILE 527 HB ILE 527 12.553 6.107 2.107 145 HG12 ILE 527 2HG1 ILE 527 11.023 4.498 3.387 146 HG13 ILE 527 1HG1 ILE 527 9.977 5.878 3.662 147 HG21 ILE 527 1HG2 ILE 527 12.131 6.034 5.055 148 HG22 ILE 527 2HG2 ILE 527 13.335 7.136 4.387 149 HG23 ILE 527 3HG2 ILE 527 13.466 5.403 4.089 150 HD11 ILE 527 3HD1 ILE 527 9.152 5.783 1.601 151 HD12 ILE 527 1HD1 ILE 527 9.862 4.170 1.533 152 HD13 ILE 527 2HD1 ILE 527 10.742 5.550 0.876 153 H GLY 528 H GLY 528 10.720 7.461 0.383 154 HA2 GLY 528 2HA GLY 528 11.356 9.286 -1.304 155 HA3 GLY 528 1HA GLY 528 12.995 8.926 -0.785 156 H LEU 529 H LEU 529 11.985 6.045 -0.517 157 HA LEU 529 HA LEU 529 11.796 4.134 -1.766 158 HB2 LEU 529 2HB LEU 529 10.440 5.852 -3.291 159 HB3 LEU 529 1HB LEU 529 11.789 5.526 -4.366 160 HG LEU 529 HG LEU 529 11.246 3.036 -3.914 161 HD11 LEU 529 1HD1 LEU 529 9.468 4.053 -2.160 162 HD12 LEU 529 2HD1 LEU 529 9.327 2.465 -2.912 163 HD13 LEU 529 3HD1 LEU 529 8.444 3.837 -3.582 164 HD21 LEU 529 3HD2 LEU 529 9.054 3.976 -5.524 165 HD22 LEU 529 1HD2 LEU 529 10.517 3.121 -6.005 166 HD23 LEU 529 2HD2 LEU 529 10.529 4.879 -5.867 167 H ALA 530 H ALA 530 13.733 6.542 -3.450 168 HA ALA 530 HA ALA 530 15.576 4.557 -4.358 169 HB1 ALA 530 1HB ALA 530 16.912 6.624 -5.070 170 HB2 ALA 530 2HB ALA 530 15.487 7.536 -4.574 171 HB3 ALA 530 3HB ALA 530 15.358 6.321 -5.845 172 H TRP 531 H TRP 531 15.485 4.280 -1.698 173 HA TRP 531 HA TRP 531 18.101 5.274 -0.776 174 HB2 TRP 531 2HB TRP 531 17.106 4.977 1.565 175 HB3 TRP 531 1HB TRP 531 16.473 6.324 0.619 176 HD1 TRP 531 HD TRP 531 14.166 5.678 -0.793 177 HE1 TRP 531 1HE TRP 531 12.130 4.386 0.037 178 HE3 TRP 531 3HE TRP 531 16.285 3.334 3.212 179 HZ2 TRP 531 2HZ TRP 531 11.468 2.617 2.132 180 HZ3 TRP 531 3HZ TRP 531 14.876 1.862 4.593 181 HH2 TRP 531 HH TRP 531 12.515 1.513 4.066 182 H ILE 532 H ILE 532 16.073 2.632 -1.489 183 HA ILE 532 HA ILE 532 17.899 0.752 -0.149 184 HB ILE 532 HB ILE 532 16.024 -0.882 -0.422 185 HG12 ILE 532 2HG1 ILE 532 14.873 1.264 -1.858 186 HG13 ILE 532 1HG1 ILE 532 14.231 -0.345 -1.595 187 HG21 ILE 532 1HG2 ILE 532 15.084 -0.382 1.635 188 HG22 ILE 532 2HG2 ILE 532 15.169 1.358 1.355 189 HG23 ILE 532 3HG2 ILE 532 16.642 0.444 1.678 190 HD11 ILE 532 3HD1 ILE 532 13.552 2.206 -0.282 191 HD12 ILE 532 1HD1 ILE 532 13.468 0.743 0.699 192 HD13 ILE 532 2HD1 ILE 532 12.516 0.871 -0.779 193 HA PRO 533 HA PRO 533 18.650 -0.921 -4.186 194 HB2 PRO 533 2HB PRO 533 19.601 -3.339 -3.569 195 HB3 PRO 533 1HB PRO 533 20.431 -1.865 -3.060 196 HG2 PRO 533 2HG PRO 533 18.831 -3.775 -1.463 197 HG3 PRO 533 1HG PRO 533 20.155 -2.716 -0.956 198 HD2 PRO 533 2HD PRO 533 17.343 -2.267 -0.680 199 HD3 PRO 533 1HD PRO 533 18.668 -1.176 -0.226 200 H TYR 534 H TYR 534 15.935 -2.014 -2.536 201 HA TYR 534 HA TYR 534 14.775 -3.129 -4.840 202 HB2 TYR 534 2HB TYR 534 14.612 -5.504 -4.142 203 HB3 TYR 534 1HB TYR 534 16.257 -4.996 -4.508 204 HD1 TYR 534 2HD TYR 534 13.926 -5.356 -1.615 205 HD2 TYR 534 1HD TYR 534 17.945 -5.497 -3.001 206 HE1 TYR 534 2HE TYR 534 14.654 -6.151 0.595 207 HE2 TYR 534 1HE TYR 534 18.686 -6.293 -0.796 208 HH TYR 534 HH TYR 534 16.483 -7.342 1.613 209 H PHE 535 H PHE 535 14.630 -2.551 -1.413 210 HA PHE 535 HA PHE 535 12.140 -3.674 -0.824 211 HB2 PHE 535 2HB PHE 535 13.339 -1.149 0.318 212 HB3 PHE 535 1HB PHE 535 11.997 -2.036 1.016 213 HD1 PHE 535 1HD PHE 535 15.582 -2.258 0.177 214 HD2 PHE 535 2HD PHE 535 12.372 -3.823 2.475 215 HE1 PHE 535 1HE PHE 535 17.180 -3.554 1.499 216 HE2 PHE 535 2HE PHE 535 13.968 -5.139 3.806 217 HZ PHE 535 HZ PHE 535 16.379 -5.000 3.319 218 H GLY 536 H GLY 536 12.940 -0.690 -2.468 219 HA2 GLY 536 2HA GLY 536 10.073 -0.023 -2.585 220 HA3 GLY 536 1HA GLY 536 11.378 1.142 -2.742 221 HA PRO 537 HA PRO 537 11.586 1.012 -7.127 222 HB2 PRO 537 2HB PRO 537 14.162 -0.489 -7.009 223 HB3 PRO 537 1HB PRO 537 13.760 0.991 -7.888 224 HG2 PRO 537 2HG PRO 537 15.205 1.067 -5.644 225 HG3 PRO 537 1HG PRO 537 14.022 2.333 -6.020 226 HD2 PRO 537 2HD PRO 537 13.871 0.120 -4.044 227 HD3 PRO 537 1HD PRO 537 13.149 1.739 -3.987 228 H ALA 538 H ALA 538 12.673 -2.015 -5.629 229 HA ALA 538 HA ALA 538 11.768 -3.604 -7.868 230 HB1 ALA 538 1HB ALA 538 12.427 -4.880 -5.272 231 HB2 ALA 538 2HB ALA 538 13.720 -4.042 -6.129 232 HB3 ALA 538 3HB ALA 538 12.854 -5.361 -6.913 233 H ALA 539 H ALA 539 10.583 -2.672 -4.713 234 HA ALA 539 HA ALA 539 8.602 -4.549 -4.260 235 HB1 ALA 539 1HB ALA 539 7.400 -2.373 -3.279 236 HB2 ALA 539 2HB ALA 539 9.033 -1.734 -3.471 237 HB3 ALA 539 3HB ALA 539 8.757 -3.166 -2.479 238 H GLU 540 H GLU 540 6.283 -4.424 -4.562 239 HA GLU 540 HA GLU 540 5.375 -2.813 -6.830 240 HB2 GLU 540 2HB GLU 540 4.897 -5.792 -6.679 241 HB3 GLU 540 1HB GLU 540 4.399 -4.707 -7.969 242 HG2 GLU 540 2HG GLU 540 7.106 -4.305 -7.865 243 HG3 GLU 540 1HG GLU 540 6.954 -6.025 -7.506 244 H GLY 541 H GLY 541 4.541 -5.050 -4.228 245 HA2 GLY 541 2HA GLY 541 1.874 -3.788 -4.063 246 HA3 GLY 541 1HA GLY 541 2.236 -5.420 -3.514 247 H ILE 542 H ILE 542 4.278 -2.639 -2.989 248 HA ILE 542 HA ILE 542 3.428 -2.378 -0.214 249 HB ILE 542 HB ILE 542 6.364 -2.643 -0.671 250 HG12 ILE 542 2HG1 ILE 542 6.055 -5.113 0.024 251 HG13 ILE 542 1HG1 ILE 542 4.409 -4.924 -0.577 252 HG21 ILE 542 1HG2 ILE 542 4.446 -2.921 1.599 253 HG22 ILE 542 2HG2 ILE 542 5.930 -1.974 1.488 254 HG23 ILE 542 3HG2 ILE 542 6.013 -3.726 1.683 255 HD11 ILE 542 3HD1 ILE 542 5.284 -5.570 -2.530 256 HD12 ILE 542 1HD1 ILE 542 6.931 -5.188 -2.031 257 HD13 ILE 542 2HD1 ILE 542 5.876 -3.910 -2.642 258 H TYR 543 H TYR 543 5.420 -1.359 -2.912 259 HA TYR 543 HA TYR 543 5.787 1.258 -1.749 260 HB2 TYR 543 2HB TYR 543 7.716 1.318 -2.902 261 HB3 TYR 543 1HB TYR 543 7.504 -0.416 -2.996 262 HD1 TYR 543 2HD TYR 543 5.811 -1.059 -5.053 263 HD2 TYR 543 1HD TYR 543 8.399 2.298 -4.844 264 HE1 TYR 543 2HE TYR 543 5.828 -0.924 -7.505 265 HE2 TYR 543 1HE TYR 543 8.445 2.447 -7.282 266 HH TYR 543 HH TYR 543 6.285 0.629 -9.270 267 H ILE 544 H ILE 544 4.165 -0.470 -4.274 268 HA ILE 544 HA ILE 544 2.950 0.196 -6.123 269 HB ILE 544 HB ILE 544 1.499 1.830 -4.067 270 HG12 ILE 544 2HG1 ILE 544 0.308 -0.511 -3.763 271 HG13 ILE 544 1HG1 ILE 544 1.895 -1.120 -4.215 272 HG21 ILE 544 1HG2 ILE 544 0.442 2.025 -6.134 273 HG22 ILE 544 2HG2 ILE 544 -0.453 0.736 -5.329 274 HG23 ILE 544 3HG2 ILE 544 0.751 0.340 -6.556 275 HD11 ILE 544 3HD1 ILE 544 1.823 -1.047 -1.856 276 HD12 ILE 544 1HD1 ILE 544 1.180 0.593 -1.857 277 HD13 ILE 544 2HD1 ILE 544 2.840 0.297 -2.367 278 H GLU 545 H GLU 545 2.828 3.126 -4.155 279 HA GLU 545 HA GLU 545 3.270 5.301 -4.600 280 HB2 GLU 545 2HB GLU 545 4.761 4.239 -7.000 281 HB3 GLU 545 1HB GLU 545 4.886 5.865 -6.336 282 HG2 GLU 545 2HG GLU 545 5.423 4.414 -4.141 283 HG3 GLU 545 1HG GLU 545 6.055 3.334 -5.385 284 H GLY 546 H GLY 546 1.164 5.850 -4.922 285 HA2 GLY 546 2HA GLY 546 0.302 7.255 -6.992 286 HA3 GLY 546 1HA GLY 546 0.017 5.628 -7.591 287 H LEU 547 H LEU 547 -0.458 5.142 -4.448 288 HA LEU 547 HA LEU 547 -3.249 6.108 -4.503 289 HB2 LEU 547 2HB LEU 547 -4.066 4.047 -3.692 290 HB3 LEU 547 1HB LEU 547 -3.035 3.686 -5.064 291 HG LEU 547 HG LEU 547 -2.096 3.471 -2.211 292 HD11 LEU 547 1HD1 LEU 547 -2.747 1.052 -3.788 293 HD12 LEU 547 2HD1 LEU 547 -4.093 1.958 -3.098 294 HD13 LEU 547 3HD1 LEU 547 -2.823 1.331 -2.048 295 HD21 LEU 547 3HD2 LEU 547 -0.584 1.771 -3.583 296 HD22 LEU 547 1HD2 LEU 547 -0.173 3.479 -3.422 297 HD23 LEU 547 2HD2 LEU 547 -0.962 2.896 -4.888 298 H MET 548 H MET 548 -0.373 5.956 -2.760 299 HA MET 548 HA MET 548 -1.297 5.830 -0.108 300 HB2 MET 548 2HB MET 548 1.075 7.510 -0.857 301 HB3 MET 548 1HB MET 548 0.835 6.508 0.563 302 HG2 MET 548 2HG MET 548 1.863 4.810 -0.390 303 HG3 MET 548 1HG MET 548 0.796 4.870 -1.788 304 HE1 MET 548 3HE MET 548 1.988 8.241 -2.590 305 HE2 MET 548 1HE MET 548 0.993 7.003 -3.354 306 HE3 MET 548 2HE MET 548 2.538 7.457 -4.071 307 H HIS 549 H HIS 549 -3.219 7.128 -0.231 308 HA HIS 549 HA HIS 549 -2.639 9.976 0.194 309 HB2 HIS 549 2HB HIS 549 -5.163 9.080 -1.168 310 HB3 HIS 549 1HB HIS 549 -4.425 10.679 -1.159 311 HD1 HIS 549 1HD HIS 549 -5.179 8.478 -3.574 312 HD2 HIS 549 2HD HIS 549 -1.490 9.933 -2.340 313 HE1 HIS 549 1HE HIS 549 -3.636 8.142 -5.527 314 HE2 HIS 549 2HE HIS 549 -1.440 9.135 -4.800 315 H ASN 550 H ASN 550 -3.031 7.729 2.020 316 HA ASN 550 HA ASN 550 -4.169 7.160 3.909 317 HB2 ASN 550 2HB ASN 550 -4.771 10.112 3.738 318 HB3 ASN 550 1HB ASN 550 -5.236 9.120 5.116 319 HD21 ASN 550 1HD2 ASN 550 -3.362 11.389 4.873 320 HD22 ASN 550 2HD2 ASN 550 -1.859 10.809 5.499 321 H GLN 551 H GLN 551 -5.506 6.163 1.921 322 HA GLN 551 HA GLN 551 -8.276 7.094 2.039 323 HB2 GLN 551 2HB GLN 551 -8.031 4.794 0.366 324 HB3 GLN 551 1HB GLN 551 -8.411 6.446 -0.091 325 HG2 GLN 551 2HG GLN 551 -6.583 6.118 -1.377 326 HG3 GLN 551 1HG GLN 551 -5.789 6.718 0.075 327 HE21 GLN 551 1HE2 GLN 551 -6.138 4.314 1.612 328 HE22 GLN 551 2HE2 GLN 551 -5.070 3.132 0.952 329 H ASP 552 H ASP 552 -9.921 5.253 1.962 330 HA ASP 552 HA ASP 552 -9.470 2.766 3.124 331 HB2 ASP 552 2HB ASP 552 -8.818 4.139 5.115 332 HB3 ASP 552 1HB ASP 552 -10.451 4.794 5.152 333 H GLY 553 H GLY 553 -11.080 4.141 1.159 334 HA2 GLY 553 2HA GLY 553 -13.720 3.122 1.976 335 HA3 GLY 553 1HA GLY 553 -13.582 4.698 1.201 336 H LEU 554 H LEU 554 -11.509 4.033 -0.580 337 HA LEU 554 HA LEU 554 -13.012 2.789 -2.685 338 HB2 LEU 554 2HB LEU 554 -10.919 3.218 -3.999 339 HB3 LEU 554 1HB LEU 554 -11.641 4.642 -3.274 340 HG LEU 554 HG LEU 554 -9.772 3.702 -1.383 341 HD11 LEU 554 1HD1 LEU 554 -8.979 2.500 -3.618 342 HD12 LEU 554 2HD1 LEU 554 -7.844 3.151 -2.436 343 HD13 LEU 554 3HD1 LEU 554 -8.235 4.075 -3.886 344 HD21 LEU 554 3HD2 LEU 554 -9.912 5.958 -1.405 345 HD22 LEU 554 1HD2 LEU 554 -10.143 6.040 -3.151 346 HD23 LEU 554 2HD2 LEU 554 -8.527 5.805 -2.487 347 H ILE 555 H ILE 555 -11.233 1.571 -0.171 348 HA ILE 555 HA ILE 555 -10.803 -0.963 -1.555 349 HB ILE 555 HB ILE 555 -8.605 -1.233 -0.484 350 HG12 ILE 555 2HG1 ILE 555 -8.904 0.359 1.375 351 HG13 ILE 555 1HG1 ILE 555 -7.440 0.680 0.472 352 HG21 ILE 555 1HG2 ILE 555 -8.100 1.233 -1.942 353 HG22 ILE 555 2HG2 ILE 555 -9.178 0.113 -2.779 354 HG23 ILE 555 3HG2 ILE 555 -7.571 -0.420 -2.276 355 HD11 ILE 555 3HD1 ILE 555 -9.216 2.279 -0.790 356 HD12 ILE 555 1HD1 ILE 555 -8.105 2.785 0.479 357 HD13 ILE 555 2HD1 ILE 555 -9.768 2.356 0.882 358 H CYS 556 H CYS 556 -10.757 0.817 1.496 359 HA CYS 556 HA CYS 556 -11.553 -1.640 2.878 360 HB2 CYS 556 2HB CYS 556 -9.353 -0.431 3.471 361 HB3 CYS 556 1HB CYS 556 -10.377 0.795 4.205 362 H GLY 557 H GLY 557 -13.697 -0.740 1.809 363 HA2 GLY 557 2HA GLY 557 -14.950 1.237 3.582 364 HA3 GLY 557 1HA GLY 557 -15.574 0.712 2.025 365 H LEU 558 H LEU 558 -15.856 -1.866 2.074 366 HA LEU 558 HA LEU 558 -16.997 -2.723 4.603 367 HB2 LEU 558 2HB LEU 558 -19.158 -3.241 3.713 368 HB3 LEU 558 1HB LEU 558 -18.816 -1.549 3.418 369 HG LEU 558 HG LEU 558 -18.404 -3.641 1.296 370 HD11 LEU 558 1HD1 LEU 558 -20.759 -3.633 2.179 371 HD12 LEU 558 2HD1 LEU 558 -20.585 -3.253 0.465 372 HD13 LEU 558 3HD1 LEU 558 -20.873 -1.961 1.630 373 HD21 LEU 558 3HD2 LEU 558 -18.852 -1.562 -0.122 374 HD22 LEU 558 1HD2 LEU 558 -17.303 -1.662 0.714 375 HD23 LEU 558 2HD2 LEU 558 -18.590 -0.648 1.364 376 H ARG 559 H ARG 559 -16.439 -3.547 1.183 377 HA ARG 559 HA ARG 559 -14.905 -5.797 1.675 378 HB2 ARG 559 2HB ARG 559 -16.442 -7.646 1.260 379 HB3 ARG 559 1HB ARG 559 -16.944 -6.747 2.685 380 HG2 ARG 559 2HG ARG 559 -18.142 -5.765 0.222 381 HG3 ARG 559 1HG ARG 559 -18.553 -7.445 0.583 382 HD2 ARG 559 2HD ARG 559 -18.851 -5.131 2.496 383 HD3 ARG 559 1HD ARG 559 -20.158 -5.827 1.541 384 HE ARG 559 HE ARG 559 -18.998 -6.903 3.939 385 HH11 ARG 559 1HH1 ARG 559 -20.743 -7.671 1.017 386 HH12 ARG 559 2HH1 ARG 559 -21.435 -9.121 1.662 387 HH21 ARG 559 1HH2 ARG 559 -19.904 -8.813 4.789 388 HH22 ARG 559 2HH2 ARG 559 -20.957 -9.772 3.803 389 H GLN 560 H GLN 560 -15.043 -3.678 -0.152 390 HA GLN 560 HA GLN 560 -15.634 -5.000 -2.702 391 HB2 GLN 560 2HB GLN 560 -15.755 -2.871 -3.709 392 HB3 GLN 560 1HB GLN 560 -16.585 -2.711 -2.169 393 HG2 GLN 560 2HG GLN 560 -13.810 -2.062 -1.852 394 HG3 GLN 560 1HG GLN 560 -14.506 -1.130 -3.179 395 HE21 GLN 560 1HE2 GLN 560 -14.719 -1.873 0.224 396 HE22 GLN 560 2HE2 GLN 560 -15.643 -0.485 0.668 Start of MODEL 2 1 H1 ALA 507 1HT ALA 507 -12.187 -11.286 -7.790 2 H2 ALA 507 2HT ALA 507 -10.645 -11.150 -7.050 3 H3 ALA 507 3HT ALA 507 -10.769 -11.357 -8.749 4 HA ALA 507 HA ALA 507 -10.276 -9.076 -7.858 5 HB1 ALA 507 1HB ALA 507 -12.661 -8.989 -9.614 6 HB2 ALA 507 2HB ALA 507 -11.276 -9.931 -10.167 7 HB3 ALA 507 3HB ALA 507 -11.087 -8.216 -9.799 8 H GLN 508 H GLN 508 -11.298 -9.595 -5.547 9 HA GLN 508 HA GLN 508 -13.129 -7.466 -5.054 10 HB2 GLN 508 2HB GLN 508 -14.847 -8.987 -3.937 11 HB3 GLN 508 1HB GLN 508 -14.860 -8.932 -5.694 12 HG2 GLN 508 2HG GLN 508 -13.764 -11.040 -5.845 13 HG3 GLN 508 1HG GLN 508 -13.456 -11.065 -4.109 14 HE21 GLN 508 1HE2 GLN 508 -15.754 -10.484 -2.956 15 HE22 GLN 508 2HE2 GLN 508 -16.994 -11.607 -3.387 16 HA PRO 509 HA PRO 509 -10.440 -9.038 -1.519 17 HB2 PRO 509 2HB PRO 509 -8.447 -7.244 -1.600 18 HB3 PRO 509 1HB PRO 509 -8.432 -8.691 -2.616 19 HG2 PRO 509 2HG PRO 509 -9.175 -5.882 -3.332 20 HG3 PRO 509 1HG PRO 509 -8.213 -7.054 -4.251 21 HD2 PRO 509 2HD PRO 509 -10.863 -6.541 -4.732 22 HD3 PRO 509 1HD PRO 509 -10.067 -8.080 -5.116 23 H LYS 510 H LYS 510 -10.798 -8.287 0.502 24 HA LYS 510 HA LYS 510 -12.134 -5.708 0.770 25 HB2 LYS 510 2HB LYS 510 -12.792 -6.476 2.980 26 HB3 LYS 510 1HB LYS 510 -13.168 -7.705 1.780 27 HG2 LYS 510 2HG LYS 510 -10.942 -8.772 2.429 28 HG3 LYS 510 1HG LYS 510 -10.984 -7.702 3.832 29 HD2 LYS 510 2HD LYS 510 -12.094 -9.426 4.778 30 HD3 LYS 510 1HD LYS 510 -13.477 -8.727 3.933 31 HE2 LYS 510 2HE LYS 510 -12.519 -10.270 1.973 32 HE3 LYS 510 1HE LYS 510 -11.938 -11.192 3.359 33 HZ1 LYS 510 3HZ LYS 510 -14.129 -11.925 2.617 34 HZ2 LYS 510 1HZ LYS 510 -14.760 -10.382 2.908 35 HZ3 LYS 510 2HZ LYS 510 -14.187 -11.319 4.194 36 H CYS 511 H CYS 511 -11.134 -3.953 1.488 37 HA CYS 511 HA CYS 511 -9.494 -2.576 2.266 38 HB2 CYS 511 2HB CYS 511 -8.961 -4.602 4.420 39 HB3 CYS 511 1HB CYS 511 -8.938 -2.846 4.527 40 H ASN 512 H ASN 512 -8.016 -2.729 0.610 41 HA ASN 512 HA ASN 512 -5.952 -4.764 0.741 42 HB2 ASN 512 2HB ASN 512 -6.249 -2.627 -1.359 43 HB3 ASN 512 1HB ASN 512 -5.307 -4.108 -1.460 44 HD21 ASN 512 1HD2 ASN 512 -8.625 -2.928 -1.067 45 HD22 ASN 512 2HD2 ASN 512 -9.371 -4.242 -1.900 46 HA PRO 513 HA PRO 513 -3.313 -0.927 1.497 47 HB2 PRO 513 2HB PRO 513 -4.356 1.512 0.911 48 HB3 PRO 513 1HB PRO 513 -3.735 0.414 -0.321 49 HG2 PRO 513 2HG PRO 513 -6.464 1.235 0.125 50 HG3 PRO 513 1HG PRO 513 -5.810 0.241 -1.183 51 HD2 PRO 513 2HD PRO 513 -7.122 -0.592 1.327 52 HD3 PRO 513 1HD PRO 513 -6.969 -1.452 -0.216 53 H ASN 514 H ASN 514 -5.912 -1.548 3.204 54 HA ASN 514 HA ASN 514 -5.423 0.570 5.187 55 HB2 ASN 514 2HB ASN 514 -7.957 -0.495 4.092 56 HB3 ASN 514 1HB ASN 514 -7.918 -0.275 5.839 57 HD21 ASN 514 1HD2 ASN 514 -7.810 1.299 2.741 58 HD22 ASN 514 2HD2 ASN 514 -8.023 2.907 3.331 59 H LEU 515 H LEU 515 -3.763 -1.308 5.463 60 HA LEU 515 HA LEU 515 -4.850 -3.220 7.421 61 HB2 LEU 515 2HB LEU 515 -2.217 -3.801 6.235 62 HB3 LEU 515 1HB LEU 515 -3.552 -4.875 6.581 63 HG LEU 515 HG LEU 515 -3.212 -4.939 4.242 64 HD11 LEU 515 1HD1 LEU 515 -5.418 -5.004 4.073 65 HD12 LEU 515 2HD1 LEU 515 -5.373 -3.292 3.660 66 HD13 LEU 515 3HD1 LEU 515 -5.619 -3.789 5.333 67 HD21 LEU 515 3HD2 LEU 515 -2.314 -2.303 4.531 68 HD22 LEU 515 1HD2 LEU 515 -3.720 -2.212 3.471 69 HD23 LEU 515 2HD2 LEU 515 -2.365 -3.261 3.049 70 H HIS 516 H HIS 516 -1.616 -2.053 6.592 71 HA HIS 516 HA HIS 516 -1.304 -0.716 9.148 72 HB2 HIS 516 2HB HIS 516 0.560 -1.930 9.908 73 HB3 HIS 516 1HB HIS 516 -0.578 -3.175 9.407 74 HD1 HIS 516 1HD HIS 516 0.100 -4.659 7.431 75 HD2 HIS 516 2HD HIS 516 2.803 -1.615 8.242 76 HE1 HIS 516 1HE HIS 516 2.101 -5.140 5.989 77 HE2 HIS 516 2HE HIS 516 3.787 -3.371 6.608 78 H TYR 517 H TYR 517 0.463 -1.872 6.286 79 HA TYR 517 HA TYR 517 2.075 0.455 6.111 80 HB2 TYR 517 2HB TYR 517 2.016 -0.443 3.525 81 HB3 TYR 517 1HB TYR 517 3.163 -0.970 4.741 82 HD1 TYR 517 1HD TYR 517 -0.406 -2.034 4.687 83 HD2 TYR 517 2HD TYR 517 3.622 -3.079 3.798 84 HE1 TYR 517 1HE TYR 517 -1.094 -4.364 4.315 85 HE2 TYR 517 2HE TYR 517 2.941 -5.408 3.421 86 HH TYR 517 HH TYR 517 0.704 -6.585 2.733 87 H TRP 518 H TRP 518 1.792 1.702 3.788 88 HA TRP 518 HA TRP 518 0.527 3.222 2.664 89 HB2 TRP 518 2HB TRP 518 -2.025 1.787 3.203 90 HB3 TRP 518 1HB TRP 518 -1.465 2.538 1.729 91 HD1 TRP 518 HD TRP 518 -0.060 -0.464 3.712 92 HE1 TRP 518 1HE TRP 518 0.228 -2.398 2.120 93 HE3 TRP 518 3HE TRP 518 -1.870 1.736 -0.509 94 HZ2 TRP 518 2HZ TRP 518 -0.303 -2.993 -0.581 95 HZ3 TRP 518 3HZ TRP 518 -1.959 0.397 -2.573 96 HH2 TRP 518 HH TRP 518 -1.185 -1.920 -2.611 97 H THR 519 H THR 519 -1.072 2.075 5.584 98 HA THR 519 HA THR 519 -2.191 4.717 6.101 99 HB THR 519 HB THR 519 -3.631 2.738 6.414 100 HG1 THR 519 1HG THR 519 -4.262 3.229 8.568 101 HG21 THR 519 3HG2 THR 519 -1.667 1.944 8.557 102 HG22 THR 519 1HG2 THR 519 -1.982 1.075 7.055 103 HG23 THR 519 2HG2 THR 519 -3.245 1.205 8.281 104 H THR 520 H THR 520 0.425 2.694 6.918 105 HA THR 520 HA THR 520 0.985 3.970 9.458 106 HB THR 520 HB THR 520 2.145 1.731 7.867 107 HG1 THR 520 1HG THR 520 1.673 2.024 10.642 108 HG21 THR 520 3HG2 THR 520 3.985 1.607 9.647 109 HG22 THR 520 1HG2 THR 520 3.723 3.342 9.825 110 HG23 THR 520 2HG2 THR 520 4.221 2.682 8.266 111 H GLN 521 H GLN 521 3.218 3.381 6.792 112 HA GLN 521 HA GLN 521 4.301 6.065 7.186 113 HB2 GLN 521 2HB GLN 521 6.319 5.249 6.160 114 HB3 GLN 521 1HB GLN 521 5.809 4.096 7.383 115 HG2 GLN 521 2HG GLN 521 5.513 2.457 5.901 116 HG3 GLN 521 1HG GLN 521 4.775 3.521 4.711 117 HE21 GLN 521 1HE2 GLN 521 6.412 5.098 3.678 118 HE22 GLN 521 2HE2 GLN 521 7.933 4.429 3.224 119 H ASP 522 H ASP 522 5.620 6.271 4.751 120 HA ASP 522 HA ASP 522 3.428 7.086 3.018 121 HB2 ASP 522 2HB ASP 522 5.757 8.315 3.741 122 HB3 ASP 522 1HB ASP 522 6.148 7.682 2.147 123 H GLU 523 H GLU 523 4.420 4.254 3.287 124 HA GLU 523 HA GLU 523 4.942 2.455 1.978 125 HB2 GLU 523 2HB GLU 523 3.401 4.150 0.014 126 HB3 GLU 523 1HB GLU 523 3.821 2.463 -0.249 127 HG2 GLU 523 2HG GLU 523 2.691 2.242 2.137 128 HG3 GLU 523 1HG GLU 523 1.821 3.655 1.539 129 H GLY 524 H GLY 524 7.152 3.069 2.144 130 HA2 GLY 524 2HA GLY 524 9.250 3.449 1.304 131 HA3 GLY 524 1HA GLY 524 8.584 2.840 -0.204 132 H ALA 525 H ALA 525 7.106 5.703 1.129 133 HA ALA 525 HA ALA 525 8.423 7.216 -1.014 134 HB1 ALA 525 1HB ALA 525 5.881 6.887 -0.941 135 HB2 ALA 525 2HB ALA 525 6.515 8.497 -1.282 136 HB3 ALA 525 3HB ALA 525 5.912 8.110 0.328 137 H ALA 526 H ALA 526 8.023 7.076 2.401 138 HA ALA 526 HA ALA 526 8.924 9.767 2.808 139 HB1 ALA 526 1HB ALA 526 7.994 7.582 4.599 140 HB2 ALA 526 2HB ALA 526 7.408 9.239 4.453 141 HB3 ALA 526 3HB ALA 526 8.934 8.913 5.274 142 H ILE 527 H ILE 527 10.576 7.599 1.513 143 HA ILE 527 HA ILE 527 12.979 7.955 3.154 144 HB ILE 527 HB ILE 527 13.335 5.549 1.792 145 HG12 ILE 527 2HG1 ILE 527 10.825 5.597 1.470 146 HG13 ILE 527 1HG1 ILE 527 11.454 4.164 2.266 147 HG21 ILE 527 1HG2 ILE 527 14.307 5.442 3.810 148 HG22 ILE 527 2HG2 ILE 527 12.770 4.750 4.326 149 HG23 ILE 527 3HG2 ILE 527 13.086 6.468 4.564 150 HD11 ILE 527 3HD1 ILE 527 10.825 6.042 4.275 151 HD12 ILE 527 1HD1 ILE 527 10.048 4.497 3.932 152 HD13 ILE 527 2HD1 ILE 527 9.467 5.970 3.155 153 H GLY 528 H GLY 528 11.696 7.005 -0.025 154 HA2 GLY 528 2HA GLY 528 12.590 8.657 -1.793 155 HA3 GLY 528 1HA GLY 528 14.154 8.056 -1.267 156 H LEU 529 H LEU 529 12.494 5.382 -0.934 157 HA LEU 529 HA LEU 529 12.106 3.491 -2.138 158 HB2 LEU 529 2HB LEU 529 11.441 5.638 -3.974 159 HB3 LEU 529 1HB LEU 529 12.073 4.244 -4.824 160 HG LEU 529 HG LEU 529 9.608 4.412 -3.111 161 HD11 LEU 529 1HD1 LEU 529 9.096 3.062 -5.468 162 HD12 LEU 529 2HD1 LEU 529 10.217 4.339 -5.943 163 HD13 LEU 529 3HD1 LEU 529 8.712 4.748 -5.119 164 HD21 LEU 529 3HD2 LEU 529 9.462 1.908 -3.725 165 HD22 LEU 529 1HD2 LEU 529 10.476 2.395 -2.362 166 HD23 LEU 529 2HD2 LEU 529 11.211 2.024 -3.922 167 H ALA 530 H ALA 530 14.210 5.566 -4.039 168 HA ALA 530 HA ALA 530 15.803 3.340 -4.869 169 HB1 ALA 530 1HB ALA 530 16.309 6.277 -5.264 170 HB2 ALA 530 2HB ALA 530 15.430 5.221 -6.369 171 HB3 ALA 530 3HB ALA 530 17.148 4.955 -6.074 172 H TRP 531 H TRP 531 15.855 3.339 -2.176 173 HA TRP 531 HA TRP 531 18.601 4.184 -1.526 174 HB2 TRP 531 2HB TRP 531 17.763 4.167 0.891 175 HB3 TRP 531 1HB TRP 531 17.154 5.471 -0.128 176 HD1 TRP 531 HD TRP 531 14.715 4.833 -1.338 177 HE1 TRP 531 1HE TRP 531 12.663 3.790 -0.246 178 HE3 TRP 531 3HE TRP 531 16.957 2.803 2.766 179 HZ2 TRP 531 2HZ TRP 531 12.040 2.308 2.096 180 HZ3 TRP 531 3HZ TRP 531 15.563 1.594 4.396 181 HH2 TRP 531 HH TRP 531 13.156 1.354 4.068 182 H ILE 532 H ILE 532 16.312 1.653 -1.821 183 HA ILE 532 HA ILE 532 18.103 -0.210 -0.405 184 HB ILE 532 HB ILE 532 16.104 -1.744 -0.456 185 HG12 ILE 532 2HG1 ILE 532 15.047 0.111 -2.168 186 HG13 ILE 532 1HG1 ILE 532 14.132 -1.125 -1.320 187 HG21 ILE 532 1HG2 ILE 532 16.582 -0.896 1.630 188 HG22 ILE 532 2HG2 ILE 532 14.919 -0.362 1.386 189 HG23 ILE 532 3HG2 ILE 532 16.251 0.766 1.140 190 HD11 ILE 532 3HD1 ILE 532 12.991 0.920 -1.058 191 HD12 ILE 532 1HD1 ILE 532 14.468 1.752 -0.573 192 HD13 ILE 532 2HD1 ILE 532 13.744 0.548 0.495 193 HA PRO 533 HA PRO 533 19.145 -2.373 -4.085 194 HB2 PRO 533 2HB PRO 533 18.756 -4.999 -3.376 195 HB3 PRO 533 1HB PRO 533 20.164 -4.040 -2.910 196 HG2 PRO 533 2HG PRO 533 17.695 -4.666 -1.343 197 HG3 PRO 533 1HG PRO 533 19.386 -4.638 -0.807 198 HD2 PRO 533 2HD PRO 533 17.710 -2.615 -0.270 199 HD3 PRO 533 1HD PRO 533 19.424 -2.328 -0.633 200 H TYR 534 H TYR 534 16.210 -3.803 -2.602 201 HA TYR 534 HA TYR 534 14.798 -3.468 -5.110 202 HB2 TYR 534 2HB TYR 534 14.166 -5.883 -5.234 203 HB3 TYR 534 1HB TYR 534 15.867 -5.564 -5.563 204 HD1 TYR 534 2HD TYR 534 13.494 -6.878 -3.058 205 HD2 TYR 534 1HD TYR 534 17.580 -6.460 -4.167 206 HE1 TYR 534 2HE TYR 534 14.125 -8.499 -1.320 207 HE2 TYR 534 1HE TYR 534 18.223 -8.081 -2.433 208 HH TYR 534 HH TYR 534 16.464 -8.893 0.067 209 H PHE 535 H PHE 535 14.689 -3.195 -1.880 210 HA PHE 535 HA PHE 535 12.171 -4.380 -1.259 211 HB2 PHE 535 2HB PHE 535 13.291 -2.030 0.234 212 HB3 PHE 535 1HB PHE 535 12.355 -3.383 0.848 213 HD1 PHE 535 1HD PHE 535 14.155 -5.453 -0.721 214 HD2 PHE 535 2HD PHE 535 14.932 -2.255 1.973 215 HE1 PHE 535 1HE PHE 535 16.236 -6.558 -0.016 216 HE2 PHE 535 2HE PHE 535 17.015 -3.344 2.677 217 HZ PHE 535 HZ PHE 535 17.672 -5.503 1.687 218 H GLY 536 H GLY 536 13.169 -1.384 -2.669 219 HA2 GLY 536 2HA GLY 536 10.422 -0.341 -2.471 220 HA3 GLY 536 1HA GLY 536 11.856 0.638 -2.738 221 HA PRO 537 HA PRO 537 11.675 0.572 -7.147 222 HB2 PRO 537 2HB PRO 537 13.825 -1.495 -7.302 223 HB3 PRO 537 1HB PRO 537 13.693 0.054 -8.142 224 HG2 PRO 537 2HG PRO 537 15.343 -0.236 -6.073 225 HG3 PRO 537 1HG PRO 537 14.426 1.263 -6.305 226 HD2 PRO 537 2HD PRO 537 13.999 -0.941 -4.352 227 HD3 PRO 537 1HD PRO 537 13.688 0.798 -4.180 228 H ALA 538 H ALA 538 12.220 -2.670 -5.820 229 HA ALA 538 HA ALA 538 10.745 -3.969 -7.925 230 HB1 ALA 538 1HB ALA 538 12.669 -4.862 -6.318 231 HB2 ALA 538 2HB ALA 538 11.465 -5.934 -7.031 232 HB3 ALA 538 3HB ALA 538 11.275 -5.378 -5.368 233 H ALA 539 H ALA 539 10.032 -2.542 -4.873 234 HA ALA 539 HA ALA 539 7.792 -3.883 -3.998 235 HB1 ALA 539 1HB ALA 539 9.066 -1.839 -3.020 236 HB2 ALA 539 2HB ALA 539 7.350 -2.047 -2.672 237 HB3 ALA 539 3HB ALA 539 7.866 -0.898 -3.905 238 H GLU 540 H GLU 540 5.512 -3.241 -4.135 239 HA GLU 540 HA GLU 540 4.575 -1.729 -6.372 240 HB2 GLU 540 2HB GLU 540 3.318 -3.852 -7.248 241 HB3 GLU 540 1HB GLU 540 4.963 -3.518 -7.772 242 HG2 GLU 540 2HG GLU 540 5.737 -5.037 -5.923 243 HG3 GLU 540 1HG GLU 540 4.050 -5.506 -5.719 244 H GLY 541 H GLY 541 3.837 -4.207 -3.964 245 HA2 GLY 541 2HA GLY 541 1.184 -2.975 -3.587 246 HA3 GLY 541 1HA GLY 541 1.587 -4.634 -3.167 247 H ILE 542 H ILE 542 3.726 -1.968 -2.488 248 HA ILE 542 HA ILE 542 2.877 -1.826 0.295 249 HB ILE 542 HB ILE 542 5.792 -2.252 -0.164 250 HG12 ILE 542 2HG1 ILE 542 5.325 -4.726 0.398 251 HG13 ILE 542 1HG1 ILE 542 3.689 -4.401 -0.170 252 HG21 ILE 542 1HG2 ILE 542 5.659 -1.882 2.034 253 HG22 ILE 542 2HG2 ILE 542 5.036 -3.529 2.146 254 HG23 ILE 542 3HG2 ILE 542 3.919 -2.166 2.067 255 HD11 ILE 542 3HD1 ILE 542 4.435 -4.896 -2.202 256 HD12 ILE 542 1HD1 ILE 542 6.116 -4.857 -1.671 257 HD13 ILE 542 2HD1 ILE 542 5.311 -3.363 -2.158 258 H TYR 543 H TYR 543 4.802 -0.659 -2.386 259 HA TYR 543 HA TYR 543 5.457 1.760 -0.939 260 HB2 TYR 543 2HB TYR 543 7.264 1.905 -2.288 261 HB3 TYR 543 1HB TYR 543 6.971 0.195 -2.510 262 HD1 TYR 543 2HD TYR 543 5.792 -0.597 -4.567 263 HD2 TYR 543 1HD TYR 543 7.077 3.434 -4.075 264 HE1 TYR 543 2HE TYR 543 5.594 -0.237 -6.984 265 HE2 TYR 543 1HE TYR 543 6.883 3.803 -6.489 266 HH TYR 543 HH TYR 543 5.338 1.552 -8.577 267 H ILE 544 H ILE 544 3.934 0.700 -3.957 268 HA ILE 544 HA ILE 544 2.686 1.818 -5.527 269 HB ILE 544 HB ILE 544 1.168 2.631 -3.052 270 HG12 ILE 544 2HG1 ILE 544 -0.045 0.436 -3.485 271 HG13 ILE 544 1HG1 ILE 544 1.310 0.004 -4.521 272 HG21 ILE 544 1HG2 ILE 544 0.108 3.661 -4.827 273 HG22 ILE 544 2HG2 ILE 544 -0.755 2.128 -4.721 274 HG23 ILE 544 3HG2 ILE 544 0.490 2.355 -5.949 275 HD11 ILE 544 3HD1 ILE 544 1.934 0.900 -1.774 276 HD12 ILE 544 1HD1 ILE 544 2.713 -0.320 -2.779 277 HD13 ILE 544 2HD1 ILE 544 1.191 -0.687 -1.970 278 H GLU 545 H GLU 545 2.321 4.058 -2.826 279 HA GLU 545 HA GLU 545 2.692 6.286 -2.606 280 HB2 GLU 545 2HB GLU 545 4.406 6.147 -5.076 281 HB3 GLU 545 1HB GLU 545 4.528 7.273 -3.725 282 HG2 GLU 545 2HG GLU 545 5.018 5.265 -2.279 283 HG3 GLU 545 1HG GLU 545 5.211 4.352 -3.773 284 H GLY 546 H GLY 546 0.541 6.680 -3.067 285 HA2 GLY 546 2HA GLY 546 -0.084 8.643 -4.842 286 HA3 GLY 546 1HA GLY 546 -0.365 7.165 -5.751 287 H LEU 547 H LEU 547 -1.081 5.927 -2.981 288 HA LEU 547 HA LEU 547 -3.747 7.159 -2.719 289 HB2 LEU 547 2HB LEU 547 -4.892 5.140 -2.905 290 HB3 LEU 547 1HB LEU 547 -3.714 5.097 -4.202 291 HG LEU 547 HG LEU 547 -3.431 3.677 -1.554 292 HD11 LEU 547 1HD1 LEU 547 -5.197 2.716 -2.939 293 HD12 LEU 547 2HD1 LEU 547 -3.804 1.639 -2.833 294 HD13 LEU 547 3HD1 LEU 547 -4.072 2.593 -4.292 295 HD21 LEU 547 3HD2 LEU 547 -1.602 2.492 -2.930 296 HD22 LEU 547 1HD2 LEU 547 -1.257 4.091 -2.268 297 HD23 LEU 547 2HD2 LEU 547 -1.679 3.913 -3.971 298 H MET 548 H MET 548 -1.027 5.887 -1.190 299 HA MET 548 HA MET 548 -2.206 4.963 1.213 300 HB2 MET 548 2HB MET 548 0.217 5.422 2.104 301 HB3 MET 548 1HB MET 548 -0.093 4.097 0.998 302 HG2 MET 548 2HG MET 548 1.910 5.196 0.339 303 HG3 MET 548 1HG MET 548 0.684 5.537 -0.869 304 HE1 MET 548 3HE MET 548 0.344 9.179 -1.015 305 HE2 MET 548 1HE MET 548 -0.238 7.576 -1.459 306 HE3 MET 548 2HE MET 548 1.379 8.089 -1.935 307 H HIS 549 H HIS 549 -3.667 6.975 1.203 308 HA HIS 549 HA HIS 549 -2.383 9.063 2.837 309 HB2 HIS 549 2HB HIS 549 -4.965 9.628 1.471 310 HB3 HIS 549 1HB HIS 549 -3.615 10.700 1.811 311 HD1 HIS 549 1HD HIS 549 -5.222 9.966 -0.988 312 HD2 HIS 549 2HD HIS 549 -1.309 9.093 0.102 313 HE1 HIS 549 1HE HIS 549 -3.987 9.624 -3.148 314 HE2 HIS 549 2HE HIS 549 -1.585 9.277 -2.463 315 H ASN 550 H ASN 550 -5.781 8.156 2.257 316 HA ASN 550 HA ASN 550 -6.312 6.892 4.657 317 HB2 ASN 550 2HB ASN 550 -5.726 9.553 5.173 318 HB3 ASN 550 1HB ASN 550 -7.484 9.517 5.161 319 HD21 ASN 550 1HD2 ASN 550 -7.485 9.968 7.386 320 HD22 ASN 550 2HD2 ASN 550 -7.135 8.741 8.551 321 H GLN 551 H GLN 551 -7.422 5.956 2.756 322 HA GLN 551 HA GLN 551 -9.911 7.315 2.050 323 HB2 GLN 551 2HB GLN 551 -9.483 4.766 0.717 324 HB3 GLN 551 1HB GLN 551 -9.781 6.350 0.029 325 HG2 GLN 551 2HG GLN 551 -7.715 6.261 -0.761 326 HG3 GLN 551 1HG GLN 551 -7.160 6.509 0.891 327 HE21 GLN 551 1HE2 GLN 551 -7.300 4.306 2.184 328 HE22 GLN 551 2HE2 GLN 551 -6.529 2.980 1.397 329 H ASP 552 H ASP 552 -9.215 3.889 2.334 330 HA ASP 552 HA ASP 552 -10.202 2.184 3.463 331 HB2 ASP 552 2HB ASP 552 -9.761 3.837 5.402 332 HB3 ASP 552 1HB ASP 552 -11.487 4.173 5.319 333 H GLY 553 H GLY 553 -11.721 4.094 1.494 334 HA2 GLY 553 2HA GLY 553 -14.385 2.920 2.019 335 HA3 GLY 553 1HA GLY 553 -14.166 4.515 1.309 336 H LEU 554 H LEU 554 -11.918 3.674 -0.319 337 HA LEU 554 HA LEU 554 -13.415 2.463 -2.507 338 HB2 LEU 554 2HB LEU 554 -11.449 3.145 -3.852 339 HB3 LEU 554 1HB LEU 554 -12.242 4.477 -3.036 340 HG LEU 554 HG LEU 554 -10.279 3.739 -1.235 341 HD11 LEU 554 1HD1 LEU 554 -8.784 3.921 -3.784 342 HD12 LEU 554 2HD1 LEU 554 -9.483 2.360 -3.353 343 HD13 LEU 554 3HD1 LEU 554 -8.346 3.150 -2.260 344 HD21 LEU 554 3HD2 LEU 554 -10.801 6.006 -1.665 345 HD22 LEU 554 1HD2 LEU 554 -10.351 5.862 -3.364 346 HD23 LEU 554 2HD2 LEU 554 -9.109 5.789 -2.112 347 H ILE 555 H ILE 555 -11.880 1.191 -0.042 348 HA ILE 555 HA ILE 555 -10.931 -1.112 -1.551 349 HB ILE 555 HB ILE 555 -8.878 -1.216 -0.117 350 HG12 ILE 555 2HG1 ILE 555 -9.639 0.384 1.620 351 HG13 ILE 555 1HG1 ILE 555 -8.082 0.815 0.951 352 HG21 ILE 555 1HG2 ILE 555 -7.663 -0.239 -1.734 353 HG22 ILE 555 2HG2 ILE 555 -8.558 1.281 -1.636 354 HG23 ILE 555 3HG2 ILE 555 -9.234 -0.086 -2.524 355 HD11 ILE 555 3HD1 ILE 555 -10.567 2.289 0.948 356 HD12 ILE 555 1HD1 ILE 555 -9.803 2.201 -0.639 357 HD13 ILE 555 2HD1 ILE 555 -8.908 2.848 0.733 358 H CYS 556 H CYS 556 -11.504 0.355 1.614 359 HA CYS 556 HA CYS 556 -12.006 -2.305 2.712 360 HB2 CYS 556 2HB CYS 556 -10.333 -0.622 3.752 361 HB3 CYS 556 1HB CYS 556 -11.766 0.214 4.335 362 H GLY 557 H GLY 557 -14.062 -2.918 2.754 363 HA2 GLY 557 2HA GLY 557 -16.079 -1.191 3.885 364 HA3 GLY 557 1HA GLY 557 -16.310 -1.527 2.175 365 H LEU 558 H LEU 558 -16.307 -3.872 1.567 366 HA LEU 558 HA LEU 558 -17.201 -5.634 3.716 367 HB2 LEU 558 2HB LEU 558 -19.154 -6.351 2.408 368 HB3 LEU 558 1HB LEU 558 -19.241 -4.670 2.892 369 HG LEU 558 HG LEU 558 -18.228 -5.370 0.164 370 HD11 LEU 558 1HD1 LEU 558 -20.179 -6.502 -0.107 371 HD12 LEU 558 2HD1 LEU 558 -20.758 -4.866 -0.418 372 HD13 LEU 558 3HD1 LEU 558 -21.009 -5.603 1.164 373 HD21 LEU 558 3HD2 LEU 558 -18.435 -3.178 -0.239 374 HD22 LEU 558 1HD2 LEU 558 -18.494 -3.011 1.516 375 HD23 LEU 558 2HD2 LEU 558 -19.991 -3.077 0.586 376 H ARG 559 H ARG 559 -16.309 -5.279 0.314 377 HA ARG 559 HA ARG 559 -14.439 -7.306 0.250 378 HB2 ARG 559 2HB ARG 559 -15.766 -9.035 -1.082 379 HB3 ARG 559 1HB ARG 559 -16.086 -8.968 0.649 380 HG2 ARG 559 2HG ARG 559 -18.236 -8.862 0.062 381 HG3 ARG 559 1HG ARG 559 -17.886 -7.175 -0.327 382 HD2 ARG 559 2HD ARG 559 -18.272 -7.524 -2.479 383 HD3 ARG 559 1HD ARG 559 -17.131 -8.868 -2.518 384 HE ARG 559 HE ARG 559 -19.944 -9.057 -2.546 385 HH11 ARG 559 1HH1 ARG 559 -17.140 -10.594 -1.147 386 HH12 ARG 559 2HH1 ARG 559 -17.906 -12.140 -1.000 387 HH21 ARG 559 1HH2 ARG 559 -20.953 -11.090 -2.353 388 HH22 ARG 559 2HH2 ARG 559 -20.070 -12.422 -1.685 389 H GLN 560 H GLN 560 -15.054 -4.752 -0.812 390 HA GLN 560 HA GLN 560 -15.288 -5.145 -3.685 391 HB2 GLN 560 2HB GLN 560 -15.656 -2.833 -3.878 392 HB3 GLN 560 1HB GLN 560 -16.474 -3.281 -2.391 393 HG2 GLN 560 2HG GLN 560 -13.691 -2.148 -2.416 394 HG3 GLN 560 1HG GLN 560 -15.132 -1.138 -2.370 395 HE21 GLN 560 1HE2 GLN 560 -13.373 -3.659 -0.673 396 HE22 GLN 560 2HE2 GLN 560 -14.009 -3.309 0.893 Start of MODEL 3 1 H1 ALA 507 1HT ALA 507 -7.362 -9.250 -6.209 2 H2 ALA 507 2HT ALA 507 -6.672 -10.541 -7.107 3 H3 ALA 507 3HT ALA 507 -7.473 -10.857 -5.623 4 HA ALA 507 HA ALA 507 -8.578 -10.122 -8.223 5 HB1 ALA 507 1HB ALA 507 -8.755 -12.378 -6.310 6 HB2 ALA 507 2HB ALA 507 -8.713 -12.384 -8.073 7 HB3 ALA 507 3HB ALA 507 -10.206 -11.975 -7.228 8 H GLN 508 H GLN 508 -9.371 -10.259 -4.755 9 HA GLN 508 HA GLN 508 -10.872 -7.867 -4.817 10 HB2 GLN 508 2HB GLN 508 -13.118 -8.828 -4.388 11 HB3 GLN 508 1HB GLN 508 -12.526 -9.167 -6.009 12 HG2 GLN 508 2HG GLN 508 -12.038 -11.418 -5.456 13 HG3 GLN 508 1HG GLN 508 -12.287 -11.117 -3.737 14 HE21 GLN 508 1HE2 GLN 508 -14.360 -11.005 -2.924 15 HE22 GLN 508 2HE2 GLN 508 -15.745 -11.502 -3.828 16 HA PRO 509 HA PRO 509 -9.661 -9.719 -0.667 17 HB2 PRO 509 2HB PRO 509 -7.484 -8.246 -0.122 18 HB3 PRO 509 1HB PRO 509 -7.392 -9.709 -1.111 19 HG2 PRO 509 2HG PRO 509 -7.455 -6.842 -1.970 20 HG3 PRO 509 1HG PRO 509 -6.452 -8.171 -2.579 21 HD2 PRO 509 2HD PRO 509 -8.728 -7.286 -3.821 22 HD3 PRO 509 1HD PRO 509 -8.101 -8.939 -3.970 23 H LYS 510 H LYS 510 -10.189 -8.811 1.298 24 HA LYS 510 HA LYS 510 -11.650 -6.356 1.243 25 HB2 LYS 510 2HB LYS 510 -10.801 -7.885 3.702 26 HB3 LYS 510 1HB LYS 510 -12.173 -6.798 3.533 27 HG2 LYS 510 2HG LYS 510 -13.479 -8.371 2.573 28 HG3 LYS 510 1HG LYS 510 -12.129 -9.137 1.734 29 HD2 LYS 510 2HD LYS 510 -11.380 -9.979 4.006 30 HD3 LYS 510 1HD LYS 510 -12.950 -9.450 4.612 31 HE2 LYS 510 2HE LYS 510 -14.098 -11.055 3.434 32 HE3 LYS 510 1HE LYS 510 -12.849 -11.192 2.197 33 HZ1 LYS 510 3HZ LYS 510 -13.047 -13.120 3.762 34 HZ2 LYS 510 1HZ LYS 510 -12.455 -12.112 4.986 35 HZ3 LYS 510 2HZ LYS 510 -11.497 -12.456 3.637 36 H CYS 511 H CYS 511 -10.773 -4.400 1.325 37 HA CYS 511 HA CYS 511 -9.393 -2.661 1.825 38 HB2 CYS 511 2HB CYS 511 -8.430 -4.280 4.183 39 HB3 CYS 511 1HB CYS 511 -8.472 -2.527 4.018 40 H ASN 512 H ASN 512 -7.745 -2.302 0.514 41 HA ASN 512 HA ASN 512 -5.674 -4.314 0.226 42 HB2 ASN 512 2HB ASN 512 -6.042 -1.818 -1.425 43 HB3 ASN 512 1HB ASN 512 -5.009 -3.191 -1.794 44 HD21 ASN 512 1HD2 ASN 512 -8.405 -2.395 -1.139 45 HD22 ASN 512 2HD2 ASN 512 -9.060 -3.527 -2.261 46 HA PRO 513 HA PRO 513 -3.057 -0.736 1.765 47 HB2 PRO 513 2HB PRO 513 -3.886 1.778 1.355 48 HB3 PRO 513 1HB PRO 513 -3.382 0.740 0.020 49 HG2 PRO 513 2HG PRO 513 -6.053 1.723 0.636 50 HG3 PRO 513 1HG PRO 513 -5.482 0.894 -0.820 51 HD2 PRO 513 2HD PRO 513 -6.810 -0.225 1.573 52 HD3 PRO 513 1HD PRO 513 -6.707 -0.876 -0.076 53 H ASN 514 H ASN 514 -5.818 -1.351 3.256 54 HA ASN 514 HA ASN 514 -5.358 0.593 5.419 55 HB2 ASN 514 2HB ASN 514 -7.850 -0.400 4.162 56 HB3 ASN 514 1HB ASN 514 -7.877 -0.272 5.919 57 HD21 ASN 514 1HD2 ASN 514 -7.968 1.414 2.945 58 HD22 ASN 514 2HD2 ASN 514 -8.084 3.010 3.593 59 H LEU 515 H LEU 515 -3.735 -1.451 5.496 60 HA LEU 515 HA LEU 515 -4.897 -3.291 7.478 61 HB2 LEU 515 2HB LEU 515 -2.476 -4.191 6.072 62 HB3 LEU 515 1HB LEU 515 -3.904 -5.089 6.539 63 HG LEU 515 HG LEU 515 -3.793 -5.173 4.183 64 HD11 LEU 515 1HD1 LEU 515 -5.981 -4.871 4.078 65 HD12 LEU 515 2HD1 LEU 515 -5.731 -3.137 3.895 66 HD13 LEU 515 3HD1 LEU 515 -5.928 -3.833 5.501 67 HD21 LEU 515 3HD2 LEU 515 -3.970 -2.472 3.346 68 HD22 LEU 515 1HD2 LEU 515 -2.690 -3.643 3.022 69 HD23 LEU 515 2HD2 LEU 515 -2.598 -2.607 4.446 70 H HIS 516 H HIS 516 -1.670 -2.208 6.367 71 HA HIS 516 HA HIS 516 -0.991 -1.043 8.854 72 HB2 HIS 516 2HB HIS 516 0.279 -2.641 9.920 73 HB3 HIS 516 1HB HIS 516 -0.981 -3.648 9.209 74 HD1 HIS 516 1HD HIS 516 -0.308 -5.156 7.221 75 HD2 HIS 516 2HD HIS 516 2.798 -2.908 8.802 76 HE1 HIS 516 1HE HIS 516 1.763 -6.010 6.097 77 HE2 HIS 516 2HE HIS 516 3.643 -4.625 7.048 78 H TYR 517 H TYR 517 0.602 -2.859 6.218 79 HA TYR 517 HA TYR 517 2.962 -1.442 6.102 80 HB2 TYR 517 2HB TYR 517 2.306 -2.048 3.404 81 HB3 TYR 517 1HB TYR 517 3.449 -2.848 4.457 82 HD1 TYR 517 1HD TYR 517 -0.313 -2.948 4.706 83 HD2 TYR 517 2HD TYR 517 3.280 -5.036 3.771 84 HE1 TYR 517 1HE TYR 517 -1.585 -5.028 4.486 85 HE2 TYR 517 2HE TYR 517 2.006 -7.125 3.555 86 HH TYR 517 HH TYR 517 -1.255 -7.409 4.570 87 H TRP 518 H TRP 518 -0.080 -0.183 5.404 88 HA TRP 518 HA TRP 518 1.152 1.987 3.850 89 HB2 TRP 518 2HB TRP 518 -1.767 1.368 3.602 90 HB3 TRP 518 1HB TRP 518 -0.684 2.098 2.438 91 HD1 TRP 518 HD TRP 518 -0.085 -1.322 4.064 92 HE1 TRP 518 1HE TRP 518 -0.066 -3.080 2.258 93 HE3 TRP 518 3HE TRP 518 -1.442 1.580 0.095 94 HZ2 TRP 518 2HZ TRP 518 -0.582 -3.286 -0.507 95 HZ3 TRP 518 3HZ TRP 518 -1.668 0.515 -2.107 96 HH2 TRP 518 HH TRP 518 -1.245 -1.872 -2.404 97 H THR 519 H THR 519 -1.091 1.041 6.331 98 HA THR 519 HA THR 519 -1.916 3.737 6.947 99 HB THR 519 HB THR 519 -3.457 1.850 7.239 100 HG1 THR 519 1HG THR 519 -4.065 2.349 9.405 101 HG21 THR 519 3HG2 THR 519 -1.255 0.792 8.886 102 HG22 THR 519 1HG2 THR 519 -2.471 -0.052 7.927 103 HG23 THR 519 2HG2 THR 519 -2.888 0.574 9.522 104 H THR 520 H THR 520 0.703 1.707 7.787 105 HA THR 520 HA THR 520 1.136 2.959 10.366 106 HB THR 520 HB THR 520 1.714 0.480 9.520 107 HG1 THR 520 1HG THR 520 3.090 0.377 11.339 108 HG21 THR 520 3HG2 THR 520 4.171 0.228 9.392 109 HG22 THR 520 1HG2 THR 520 4.305 1.972 9.167 110 HG23 THR 520 2HG2 THR 520 3.465 0.987 7.968 111 H GLN 521 H GLN 521 3.014 2.701 7.345 112 HA GLN 521 HA GLN 521 4.492 5.078 8.177 113 HB2 GLN 521 2HB GLN 521 6.229 4.417 6.736 114 HB3 GLN 521 1HB GLN 521 5.676 2.937 7.506 115 HG2 GLN 521 2HG GLN 521 4.699 2.143 5.563 116 HG3 GLN 521 1HG GLN 521 4.639 3.738 4.826 117 HE21 GLN 521 1HE2 GLN 521 6.757 4.746 4.312 118 HE22 GLN 521 2HE2 GLN 521 8.027 3.710 3.767 119 H ASP 522 H ASP 522 5.351 5.751 5.528 120 HA ASP 522 HA ASP 522 2.927 7.123 4.628 121 HB2 ASP 522 2HB ASP 522 5.839 7.737 4.454 122 HB3 ASP 522 1HB ASP 522 4.714 8.491 3.331 123 H GLU 523 H GLU 523 3.474 4.399 3.923 124 HA GLU 523 HA GLU 523 3.661 2.978 2.134 125 HB2 GLU 523 2HB GLU 523 1.830 5.135 1.495 126 HB3 GLU 523 1HB GLU 523 2.544 4.442 0.043 127 HG2 GLU 523 2HG GLU 523 1.884 2.205 0.859 128 HG3 GLU 523 1HG GLU 523 1.047 2.991 2.196 129 H GLY 524 H GLY 524 6.016 3.467 2.301 130 HA2 GLY 524 2HA GLY 524 7.894 3.425 0.862 131 HA3 GLY 524 1HA GLY 524 6.976 4.365 -0.311 132 H ALA 525 H ALA 525 6.007 6.168 1.829 133 HA ALA 525 HA ALA 525 6.546 8.227 2.592 134 HB1 ALA 525 1HB ALA 525 8.062 6.393 3.952 135 HB2 ALA 525 2HB ALA 525 7.807 8.076 4.416 136 HB3 ALA 525 3HB ALA 525 9.231 7.626 3.478 137 H ALA 526 H ALA 526 7.790 7.259 -0.142 138 HA ALA 526 HA ALA 526 9.187 8.094 -1.728 139 HB1 ALA 526 1HB ALA 526 7.347 9.927 -1.156 140 HB2 ALA 526 2HB ALA 526 8.613 10.204 -2.352 141 HB3 ALA 526 3HB ALA 526 8.785 10.850 -0.719 142 H ILE 527 H ILE 527 10.229 7.704 1.144 143 HA ILE 527 HA ILE 527 12.224 9.546 1.712 144 HB ILE 527 HB ILE 527 13.402 7.355 2.652 145 HG12 ILE 527 2HG1 ILE 527 11.858 5.614 3.238 146 HG13 ILE 527 1HG1 ILE 527 10.508 6.508 2.555 147 HG21 ILE 527 1HG2 ILE 527 11.038 7.931 4.241 148 HG22 ILE 527 2HG2 ILE 527 11.872 9.377 3.673 149 HG23 ILE 527 3HG2 ILE 527 12.745 8.170 4.616 150 HD11 ILE 527 3HD1 ILE 527 11.086 5.989 0.399 151 HD12 ILE 527 1HD1 ILE 527 11.585 4.531 1.256 152 HD13 ILE 527 2HD1 ILE 527 12.785 5.741 0.799 153 H GLY 528 H GLY 528 12.085 7.182 -0.790 154 HA2 GLY 528 2HA GLY 528 14.137 8.140 -2.309 155 HA3 GLY 528 1HA GLY 528 14.929 7.021 -1.212 156 H LEU 529 H LEU 529 12.692 5.187 -1.097 157 HA LEU 529 HA LEU 529 11.855 3.364 -2.143 158 HB2 LEU 529 2HB LEU 529 11.753 5.445 -4.114 159 HB3 LEU 529 1HB LEU 529 12.084 3.906 -4.886 160 HG LEU 529 HG LEU 529 9.685 4.683 -3.252 161 HD11 LEU 529 1HD1 LEU 529 8.940 3.343 -5.557 162 HD12 LEU 529 2HD1 LEU 529 10.310 4.334 -6.060 163 HD13 LEU 529 3HD1 LEU 529 8.908 5.088 -5.299 164 HD21 LEU 529 3HD2 LEU 529 10.768 1.972 -3.883 165 HD22 LEU 529 1HD2 LEU 529 9.026 2.229 -3.763 166 HD23 LEU 529 2HD2 LEU 529 10.068 2.577 -2.379 167 H ALA 530 H ALA 530 14.527 4.580 -4.095 168 HA ALA 530 HA ALA 530 15.334 1.978 -4.864 169 HB1 ALA 530 1HB ALA 530 16.751 4.623 -5.104 170 HB2 ALA 530 2HB ALA 530 15.795 3.804 -6.338 171 HB3 ALA 530 3HB ALA 530 17.332 3.117 -5.814 172 H TRP 531 H TRP 531 16.037 3.915 -2.129 173 HA TRP 531 HA TRP 531 18.529 3.262 -1.291 174 HB2 TRP 531 2HB TRP 531 17.564 3.289 1.061 175 HB3 TRP 531 1HB TRP 531 17.183 4.691 0.067 176 HD1 TRP 531 HD TRP 531 14.724 4.200 -1.372 177 HE1 TRP 531 1HE TRP 531 12.511 3.545 -0.313 178 HE3 TRP 531 3HE TRP 531 16.484 2.316 3.029 179 HZ2 TRP 531 2HZ TRP 531 11.584 2.382 2.097 180 HZ3 TRP 531 3HZ TRP 531 14.863 1.455 4.670 181 HH2 TRP 531 HH TRP 531 12.464 1.489 4.211 182 H ILE 532 H ILE 532 15.766 1.144 -1.501 183 HA ILE 532 HA ILE 532 17.262 -1.019 -0.207 184 HB ILE 532 HB ILE 532 15.122 -2.194 -0.142 185 HG12 ILE 532 2HG1 ILE 532 14.393 -0.270 -2.102 186 HG13 ILE 532 1HG1 ILE 532 13.453 -1.629 -1.505 187 HG21 ILE 532 1HG2 ILE 532 13.981 -0.625 1.448 188 HG22 ILE 532 2HG2 ILE 532 15.179 0.586 0.984 189 HG23 ILE 532 3HG2 ILE 532 15.693 -0.910 1.770 190 HD11 ILE 532 3HD1 ILE 532 12.638 -0.154 0.334 191 HD12 ILE 532 1HD1 ILE 532 12.140 0.336 -1.283 192 HD13 ILE 532 2HD1 ILE 532 13.449 1.189 -0.471 193 HA PRO 533 HA PRO 533 18.246 -3.207 -3.887 194 HB2 PRO 533 2HB PRO 533 16.954 -5.562 -2.595 195 HB3 PRO 533 1HB PRO 533 18.567 -5.411 -3.301 196 HG2 PRO 533 2HG PRO 533 18.248 -5.431 -0.663 197 HG3 PRO 533 1HG PRO 533 19.432 -4.353 -1.425 198 HD2 PRO 533 2HD PRO 533 16.744 -3.720 -0.289 199 HD3 PRO 533 1HD PRO 533 18.236 -2.757 -0.265 200 H TYR 534 H TYR 534 15.095 -4.240 -2.552 201 HA TYR 534 HA TYR 534 13.766 -3.505 -5.004 202 HB2 TYR 534 2HB TYR 534 12.887 -5.750 -5.489 203 HB3 TYR 534 1HB TYR 534 14.641 -5.683 -5.632 204 HD1 TYR 534 1HD TYR 534 11.852 -6.857 -3.514 205 HD2 TYR 534 2HD TYR 534 16.040 -7.017 -4.242 206 HE1 TYR 534 1HE TYR 534 12.042 -8.754 -1.961 207 HE2 TYR 534 2HE TYR 534 16.242 -8.916 -2.692 208 HH TYR 534 HH TYR 534 15.073 -9.925 -0.854 209 H PHE 535 H PHE 535 13.668 -3.579 -1.762 210 HA PHE 535 HA PHE 535 11.112 -4.572 -1.140 211 HB2 PHE 535 2HB PHE 535 12.317 -2.227 0.303 212 HB3 PHE 535 1HB PHE 535 11.333 -3.531 0.949 213 HD1 PHE 535 1HD PHE 535 13.117 -5.646 -0.665 214 HD2 PHE 535 2HD PHE 535 13.893 -2.531 2.130 215 HE1 PHE 535 1HE PHE 535 15.161 -6.808 0.060 216 HE2 PHE 535 2HE PHE 535 15.938 -3.687 2.857 217 HZ PHE 535 HZ PHE 535 16.574 -5.825 1.822 218 H GLY 536 H GLY 536 12.169 -1.610 -2.591 219 HA2 GLY 536 2HA GLY 536 9.452 -0.500 -2.390 220 HA3 GLY 536 1HA GLY 536 10.905 0.437 -2.685 221 HA PRO 537 HA PRO 537 10.679 0.170 -7.085 222 HB2 PRO 537 2HB PRO 537 12.778 -1.925 -7.308 223 HB3 PRO 537 1HB PRO 537 12.696 -0.330 -8.064 224 HG2 PRO 537 2HG PRO 537 14.355 -0.781 -6.030 225 HG3 PRO 537 1HG PRO 537 13.480 0.756 -6.166 226 HD2 PRO 537 2HD PRO 537 12.936 -1.586 -4.389 227 HD3 PRO 537 1HD PRO 537 12.803 0.148 -4.040 228 H ALA 538 H ALA 538 11.154 -3.067 -5.708 229 HA ALA 538 HA ALA 538 9.438 -4.234 -7.759 230 HB1 ALA 538 1HB ALA 538 11.608 -5.298 -7.021 231 HB2 ALA 538 2HB ALA 538 10.194 -6.351 -7.029 232 HB3 ALA 538 3HB ALA 538 10.795 -5.694 -5.507 233 H ALA 539 H ALA 539 9.085 -2.835 -4.743 234 HA ALA 539 HA ALA 539 7.322 -4.439 -3.347 235 HB1 ALA 539 1HB ALA 539 8.272 -1.820 -3.159 236 HB2 ALA 539 2HB ALA 539 7.314 -2.696 -1.969 237 HB3 ALA 539 3HB ALA 539 6.515 -1.680 -3.169 238 H GLU 540 H GLU 540 6.149 -1.589 -5.106 239 HA GLU 540 HA GLU 540 4.401 -1.257 -6.508 240 HB2 GLU 540 2HB GLU 540 3.931 -4.221 -6.486 241 HB3 GLU 540 1HB GLU 540 3.409 -3.061 -7.695 242 HG2 GLU 540 2HG GLU 540 6.229 -2.887 -7.463 243 HG3 GLU 540 1HG GLU 540 5.791 -4.589 -7.609 244 H GLY 541 H GLY 541 3.767 -3.675 -3.981 245 HA2 GLY 541 2HA GLY 541 1.127 -2.418 -3.581 246 HA3 GLY 541 1HA GLY 541 1.500 -4.087 -3.182 247 H ILE 542 H ILE 542 3.562 -1.332 -2.471 248 HA ILE 542 HA ILE 542 2.745 -1.301 0.316 249 HB ILE 542 HB ILE 542 5.669 -1.632 -0.159 250 HG12 ILE 542 2HG1 ILE 542 5.331 -4.121 0.336 251 HG13 ILE 542 1HG1 ILE 542 3.654 -3.875 -0.138 252 HG21 ILE 542 1HG2 ILE 542 4.248 -1.097 2.046 253 HG22 ILE 542 2HG2 ILE 542 5.782 -1.967 2.075 254 HG23 ILE 542 3HG2 ILE 542 4.262 -2.859 2.129 255 HD11 ILE 542 3HD1 ILE 542 4.314 -4.325 -2.205 256 HD12 ILE 542 1HD1 ILE 542 6.018 -4.184 -1.771 257 HD13 ILE 542 2HD1 ILE 542 5.095 -2.742 -2.202 258 H TYR 543 H TYR 543 4.725 -0.079 -2.308 259 HA TYR 543 HA TYR 543 5.306 2.353 -0.865 260 HB2 TYR 543 2HB TYR 543 7.095 2.531 -2.242 261 HB3 TYR 543 1HB TYR 543 6.809 0.821 -2.493 262 HD1 TYR 543 1HD TYR 543 5.458 0.111 -4.501 263 HD2 TYR 543 2HD TYR 543 7.004 4.043 -4.044 264 HE1 TYR 543 1HE TYR 543 5.197 0.486 -6.910 265 HE2 TYR 543 2HE TYR 543 6.744 4.436 -6.454 266 HH TYR 543 HH TYR 543 4.993 2.293 -8.487 267 H ILE 544 H ILE 544 3.710 1.273 -3.829 268 HA ILE 544 HA ILE 544 2.429 2.367 -5.384 269 HB ILE 544 HB ILE 544 0.959 3.286 -2.928 270 HG12 ILE 544 2HG1 ILE 544 -0.261 1.086 -3.161 271 HG13 ILE 544 1HG1 ILE 544 1.037 0.566 -4.227 272 HG21 ILE 544 1HG2 ILE 544 -0.799 2.364 -4.888 273 HG22 ILE 544 2HG2 ILE 544 0.415 3.306 -5.754 274 HG23 ILE 544 3HG2 ILE 544 -0.490 4.039 -4.431 275 HD11 ILE 544 3HD1 ILE 544 1.777 1.614 -1.557 276 HD12 ILE 544 1HD1 ILE 544 2.522 0.345 -2.528 277 HD13 ILE 544 2HD1 ILE 544 1.032 0.019 -1.648 278 H GLU 545 H GLU 545 2.160 4.651 -2.706 279 HA GLU 545 HA GLU 545 2.531 6.884 -2.537 280 HB2 GLU 545 2HB GLU 545 4.161 6.728 -5.059 281 HB3 GLU 545 1HB GLU 545 4.338 7.846 -3.711 282 HG2 GLU 545 2HG GLU 545 4.908 5.838 -2.293 283 HG3 GLU 545 1HG GLU 545 5.022 4.924 -3.795 284 H GLY 546 H GLY 546 0.308 5.804 -4.004 285 HA2 GLY 546 2HA GLY 546 -0.339 8.191 -5.592 286 HA3 GLY 546 1HA GLY 546 -0.646 6.598 -6.265 287 H LEU 547 H LEU 547 -1.234 6.055 -3.136 288 HA LEU 547 HA LEU 547 -3.947 7.183 -3.161 289 HB2 LEU 547 2HB LEU 547 -5.045 5.193 -2.988 290 HB3 LEU 547 1HB LEU 547 -3.721 4.744 -4.044 291 HG LEU 547 HG LEU 547 -3.779 4.243 -1.067 292 HD11 LEU 547 1HD1 LEU 547 -5.298 2.694 -1.686 293 HD12 LEU 547 2HD1 LEU 547 -3.857 1.802 -2.174 294 HD13 LEU 547 3HD1 LEU 547 -4.785 2.704 -3.373 295 HD21 LEU 547 3HD2 LEU 547 -1.911 3.269 -3.222 296 HD22 LEU 547 1HD2 LEU 547 -1.864 2.801 -1.523 297 HD23 LEU 547 2HD2 LEU 547 -1.531 4.470 -1.989 298 H MET 548 H MET 548 -1.159 6.569 -1.431 299 HA MET 548 HA MET 548 -2.255 6.159 1.157 300 HB2 MET 548 2HB MET 548 0.126 7.140 1.817 301 HB3 MET 548 1HB MET 548 -0.065 5.507 1.214 302 HG2 MET 548 2HG MET 548 1.824 6.520 0.161 303 HG3 MET 548 1HG MET 548 0.562 6.306 -1.045 304 HE1 MET 548 3HE MET 548 1.077 9.013 -2.889 305 HE2 MET 548 1HE MET 548 -0.559 9.255 -2.278 306 HE3 MET 548 2HE MET 548 0.057 7.623 -2.523 307 H HIS 549 H HIS 549 -3.904 7.914 0.683 308 HA HIS 549 HA HIS 549 -2.880 10.532 1.551 309 HB2 HIS 549 2HB HIS 549 -5.596 10.176 0.345 310 HB3 HIS 549 1HB HIS 549 -4.537 11.581 0.308 311 HD1 HIS 549 1HD HIS 549 -5.925 10.080 -2.184 312 HD2 HIS 549 2HD HIS 549 -1.945 9.851 -1.014 313 HE1 HIS 549 1HE HIS 549 -4.658 9.377 -4.240 314 HE2 HIS 549 2HE HIS 549 -2.240 9.351 -3.534 315 H ASN 550 H ASN 550 -5.957 8.738 1.715 316 HA ASN 550 HA ASN 550 -6.127 8.284 4.401 317 HB2 ASN 550 2HB ASN 550 -6.502 11.119 3.785 318 HB3 ASN 550 1HB ASN 550 -7.848 10.427 4.682 319 HD21 ASN 550 1HD2 ASN 550 -7.068 8.947 6.532 320 HD22 ASN 550 2HD2 ASN 550 -5.830 9.616 7.535 321 H GLN 551 H GLN 551 -7.060 6.732 2.664 322 HA GLN 551 HA GLN 551 -9.950 7.245 2.436 323 HB2 GLN 551 2HB GLN 551 -9.526 5.227 0.649 324 HB3 GLN 551 1HB GLN 551 -9.608 6.933 0.243 325 HG2 GLN 551 2HG GLN 551 -7.693 6.338 -0.822 326 HG3 GLN 551 1HG GLN 551 -7.037 6.859 0.724 327 HE21 GLN 551 1HE2 GLN 551 -7.037 4.969 2.385 328 HE22 GLN 551 2HE2 GLN 551 -6.362 3.492 1.806 329 H ASP 552 H ASP 552 -11.053 4.948 2.004 330 HA ASP 552 HA ASP 552 -10.144 2.684 3.354 331 HB2 ASP 552 2HB ASP 552 -11.408 2.772 5.435 332 HB3 ASP 552 1HB ASP 552 -10.291 4.129 5.350 333 H GLY 553 H GLY 553 -12.685 4.592 2.042 334 HA2 GLY 553 2HA GLY 553 -14.615 2.416 2.078 335 HA3 GLY 553 1HA GLY 553 -14.874 4.027 1.427 336 H LEU 554 H LEU 554 -12.368 3.899 -0.130 337 HA LEU 554 HA LEU 554 -13.473 2.608 -2.462 338 HB2 LEU 554 2HB LEU 554 -11.474 3.544 -3.596 339 HB3 LEU 554 1HB LEU 554 -12.458 4.741 -2.776 340 HG LEU 554 HG LEU 554 -10.547 4.003 -0.878 341 HD11 LEU 554 1HD1 LEU 554 -8.499 3.813 -1.839 342 HD12 LEU 554 2HD1 LEU 554 -8.965 4.710 -3.285 343 HD13 LEU 554 3HD1 LEU 554 -9.462 3.029 -3.091 344 HD21 LEU 554 3HD2 LEU 554 -9.569 6.309 -1.724 345 HD22 LEU 554 1HD2 LEU 554 -11.105 6.213 -0.863 346 HD23 LEU 554 2HD2 LEU 554 -11.087 6.348 -2.621 347 H ILE 555 H ILE 555 -11.693 1.487 0.079 348 HA ILE 555 HA ILE 555 -10.687 -0.750 -1.502 349 HB ILE 555 HB ILE 555 -8.576 -0.761 -0.203 350 HG12 ILE 555 2HG1 ILE 555 -9.370 0.640 1.686 351 HG13 ILE 555 1HG1 ILE 555 -7.863 1.211 1.002 352 HG21 ILE 555 1HG2 ILE 555 -7.516 0.396 -1.801 353 HG22 ILE 555 2HG2 ILE 555 -8.457 1.863 -1.510 354 HG23 ILE 555 3HG2 ILE 555 -9.135 0.559 -2.487 355 HD11 ILE 555 3HD1 ILE 555 -10.455 2.513 1.142 356 HD12 ILE 555 1HD1 ILE 555 -9.649 2.641 -0.418 357 HD13 ILE 555 2HD1 ILE 555 -8.835 3.200 1.042 358 H CYS 556 H CYS 556 -11.291 0.632 1.691 359 HA CYS 556 HA CYS 556 -11.523 -2.053 2.795 360 HB2 CYS 556 2HB CYS 556 -10.206 0.072 3.787 361 HB3 CYS 556 1HB CYS 556 -11.771 0.344 4.532 362 H GLY 557 H GLY 557 -13.593 -2.239 1.541 363 HA2 GLY 557 2HA GLY 557 -15.807 -1.061 3.106 364 HA3 GLY 557 1HA GLY 557 -15.887 -1.250 1.363 365 H LEU 558 H LEU 558 -15.480 -3.594 0.620 366 HA LEU 558 HA LEU 558 -16.666 -5.489 2.515 367 HB2 LEU 558 2HB LEU 558 -18.181 -6.348 0.856 368 HB3 LEU 558 1HB LEU 558 -18.447 -4.627 1.051 369 HG LEU 558 HG LEU 558 -16.855 -5.836 -1.210 370 HD11 LEU 558 1HD1 LEU 558 -18.739 -5.685 -2.587 371 HD12 LEU 558 2HD1 LEU 558 -19.636 -4.731 -1.405 372 HD13 LEU 558 3HD1 LEU 558 -19.326 -6.442 -1.107 373 HD21 LEU 558 3HD2 LEU 558 -16.187 -3.727 -1.483 374 HD22 LEU 558 1HD2 LEU 558 -17.328 -3.130 -0.279 375 HD23 LEU 558 2HD2 LEU 558 -17.848 -3.361 -1.948 376 H ARG 559 H ARG 559 -15.083 -5.135 -0.662 377 HA ARG 559 HA ARG 559 -13.004 -6.901 -0.110 378 HB2 ARG 559 2HB ARG 559 -13.621 -8.912 -1.279 379 HB3 ARG 559 1HB ARG 559 -14.851 -8.580 -0.068 380 HG2 ARG 559 2HG ARG 559 -15.460 -7.357 -2.626 381 HG3 ARG 559 1HG ARG 559 -15.289 -9.113 -2.734 382 HD2 ARG 559 2HD ARG 559 -16.892 -7.993 -0.495 383 HD3 ARG 559 1HD ARG 559 -17.592 -7.953 -2.113 384 HE ARG 559 HE ARG 559 -16.533 -10.520 -1.353 385 HH11 ARG 559 1HH1 ARG 559 -19.330 -8.434 -1.284 386 HH12 ARG 559 2HH1 ARG 559 -20.454 -9.739 -1.107 387 HH21 ARG 559 1HH2 ARG 559 -18.010 -12.236 -1.122 388 HH22 ARG 559 2HH2 ARG 559 -19.704 -11.898 -1.016 389 H GLN 560 H GLN 560 -13.412 -4.456 -1.413 390 HA GLN 560 HA GLN 560 -12.872 -5.043 -4.230 391 HB2 GLN 560 2HB GLN 560 -13.387 -2.785 -4.719 392 HB3 GLN 560 1HB GLN 560 -14.595 -3.317 -3.559 393 HG2 GLN 560 2HG GLN 560 -12.423 -2.215 -2.108 394 HG3 GLN 560 1HG GLN 560 -12.838 -1.097 -3.407 395 HE21 GLN 560 1HE2 GLN 560 -14.075 -2.837 -0.628 396 HE22 GLN 560 2HE2 GLN 560 -15.415 -1.791 -0.334 Start of MODEL 4 1 H1 ALA 507 1HT ALA 507 -11.406 -9.844 -5.812 2 H2 ALA 507 2HT ALA 507 -10.920 -11.405 -6.334 3 H3 ALA 507 3HT ALA 507 -11.096 -11.075 -4.660 4 HA ALA 507 HA ALA 507 -13.159 -11.334 -6.722 5 HB1 ALA 507 1HB ALA 507 -14.085 -12.892 -4.967 6 HB2 ALA 507 2HB ALA 507 -12.551 -12.709 -4.117 7 HB3 ALA 507 3HB ALA 507 -12.584 -13.405 -5.737 8 H GLN 508 H GLN 508 -12.981 -10.806 -3.200 9 HA GLN 508 HA GLN 508 -14.356 -8.327 -3.272 10 HB2 GLN 508 2HB GLN 508 -16.477 -9.050 -2.255 11 HB3 GLN 508 1HB GLN 508 -16.265 -9.718 -3.866 12 HG2 GLN 508 2HG GLN 508 -15.995 -11.857 -3.098 13 HG3 GLN 508 1HG GLN 508 -15.402 -11.333 -1.523 14 HE21 GLN 508 1HE2 GLN 508 -17.014 -10.253 -0.120 15 HE22 GLN 508 2HE2 GLN 508 -18.634 -10.852 -0.142 16 HA PRO 509 HA PRO 509 -12.269 -9.679 0.719 17 HB2 PRO 509 2HB PRO 509 -9.952 -8.342 0.513 18 HB3 PRO 509 1HB PRO 509 -10.178 -9.923 -0.244 19 HG2 PRO 509 2HG PRO 509 -10.298 -7.199 -1.475 20 HG3 PRO 509 1HG PRO 509 -9.545 -8.678 -2.100 21 HD2 PRO 509 2HD PRO 509 -12.010 -7.762 -2.885 22 HD3 PRO 509 1HD PRO 509 -11.519 -9.466 -2.948 23 H LYS 510 H LYS 510 -10.882 -7.861 2.150 24 HA LYS 510 HA LYS 510 -12.416 -5.361 2.068 25 HB2 LYS 510 2HB LYS 510 -11.961 -7.023 4.554 26 HB3 LYS 510 1HB LYS 510 -12.739 -5.447 4.501 27 HG2 LYS 510 2HG LYS 510 -14.700 -6.309 3.880 28 HG3 LYS 510 1HG LYS 510 -13.955 -7.392 2.703 29 HD2 LYS 510 2HD LYS 510 -13.316 -8.239 5.378 30 HD3 LYS 510 1HD LYS 510 -15.062 -8.065 5.193 31 HE2 LYS 510 2HE LYS 510 -14.832 -9.419 3.064 32 HE3 LYS 510 1HE LYS 510 -13.183 -9.772 3.578 33 HZ1 LYS 510 3HZ LYS 510 -14.101 -10.717 5.633 34 HZ2 LYS 510 1HZ LYS 510 -14.647 -11.535 4.257 35 HZ3 LYS 510 2HZ LYS 510 -15.668 -10.449 5.055 36 H CYS 511 H CYS 511 -11.036 -3.717 1.983 37 HA CYS 511 HA CYS 511 -9.189 -2.417 2.273 38 HB2 CYS 511 2HB CYS 511 -9.616 -3.767 4.804 39 HB3 CYS 511 1HB CYS 511 -7.907 -3.440 4.545 40 H ASN 512 H ASN 512 -8.085 -3.139 0.450 41 HA ASN 512 HA ASN 512 -6.343 -5.437 0.660 42 HB2 ASN 512 2HB ASN 512 -6.643 -3.566 -1.687 43 HB3 ASN 512 1HB ASN 512 -5.920 -5.169 -1.690 44 HD21 ASN 512 1HD2 ASN 512 -8.938 -3.415 -1.248 45 HD22 ASN 512 2HD2 ASN 512 -9.973 -4.723 -1.688 46 HA PRO 513 HA PRO 513 -3.010 -2.103 0.479 47 HB2 PRO 513 2HB PRO 513 -3.716 0.410 -0.285 48 HB3 PRO 513 1HB PRO 513 -3.446 -0.911 -1.424 49 HG2 PRO 513 2HG PRO 513 -5.927 0.425 -0.813 50 HG3 PRO 513 1HG PRO 513 -5.627 -0.846 -2.007 51 HD2 PRO 513 2HD PRO 513 -6.681 -1.068 0.750 52 HD3 PRO 513 1HD PRO 513 -6.925 -2.133 -0.648 53 H ASN 514 H ASN 514 -5.398 -2.016 2.551 54 HA ASN 514 HA ASN 514 -4.256 0.154 4.177 55 HB2 ASN 514 2HB ASN 514 -7.075 -0.527 3.546 56 HB3 ASN 514 1HB ASN 514 -6.739 -0.093 5.220 57 HD21 ASN 514 1HD2 ASN 514 -6.994 1.012 1.966 58 HD22 ASN 514 2HD2 ASN 514 -6.795 2.693 2.297 59 H LEU 515 H LEU 515 -2.941 -1.968 4.467 60 HA LEU 515 HA LEU 515 -4.135 -3.569 6.621 61 HB2 LEU 515 2HB LEU 515 -1.655 -4.476 5.286 62 HB3 LEU 515 1HB LEU 515 -3.019 -5.406 5.868 63 HG LEU 515 HG LEU 515 -3.018 -5.684 3.535 64 HD11 LEU 515 1HD1 LEU 515 -5.221 -5.442 3.602 65 HD12 LEU 515 2HD1 LEU 515 -4.989 -3.797 3.014 66 HD13 LEU 515 3HD1 LEU 515 -5.110 -4.104 4.745 67 HD21 LEU 515 3HD2 LEU 515 -2.109 -4.244 2.104 68 HD22 LEU 515 1HD2 LEU 515 -1.733 -3.206 3.480 69 HD23 LEU 515 2HD2 LEU 515 -3.232 -2.972 2.583 70 H HIS 516 H HIS 516 -1.101 -2.002 5.604 71 HA HIS 516 HA HIS 516 -0.529 -0.987 8.151 72 HB2 HIS 516 2HB HIS 516 0.897 -2.472 9.160 73 HB3 HIS 516 1HB HIS 516 -0.165 -3.605 8.332 74 HD1 HIS 516 1HD HIS 516 0.824 -4.954 6.397 75 HD2 HIS 516 2HD HIS 516 3.450 -2.199 8.041 76 HE1 HIS 516 1HE HIS 516 3.040 -5.425 5.319 77 HE2 HIS 516 2HE HIS 516 4.662 -3.867 6.467 78 H TYR 517 H TYR 517 1.296 -2.447 5.448 79 HA TYR 517 HA TYR 517 3.421 -0.681 5.442 80 HB2 TYR 517 2HB TYR 517 2.979 -1.321 2.723 81 HB3 TYR 517 1HB TYR 517 4.174 -1.983 3.815 82 HD1 TYR 517 1HD TYR 517 0.459 -2.587 3.882 83 HD2 TYR 517 2HD TYR 517 4.337 -4.159 3.084 84 HE1 TYR 517 1HE TYR 517 -0.507 -4.822 3.577 85 HE2 TYR 517 2HE TYR 517 3.370 -6.396 2.777 86 HH TYR 517 HH TYR 517 1.214 -7.408 2.212 87 H TRP 518 H TRP 518 0.213 -0.065 4.390 88 HA TRP 518 HA TRP 518 1.166 2.410 3.110 89 HB2 TRP 518 2HB TRP 518 -1.520 1.414 2.372 90 HB3 TRP 518 1HB TRP 518 -0.301 2.180 1.383 91 HD1 TRP 518 HD TRP 518 0.881 -0.986 3.052 92 HE1 TRP 518 1HE TRP 518 1.021 -2.837 1.350 93 HE3 TRP 518 3HE TRP 518 -1.524 1.319 -0.815 94 HZ2 TRP 518 2HZ TRP 518 0.183 -3.333 -1.303 95 HZ3 TRP 518 3HZ TRP 518 -1.810 0.073 -2.917 96 HH2 TRP 518 HH TRP 518 -0.966 -2.206 -3.157 97 H THR 519 H THR 519 -1.429 0.909 4.933 98 HA THR 519 HA THR 519 -3.017 3.111 5.464 99 HB THR 519 HB THR 519 -3.663 0.832 6.052 100 HG1 THR 519 1HG THR 519 -4.456 1.291 8.164 101 HG21 THR 519 3HG2 THR 519 -2.016 0.853 8.511 102 HG22 THR 519 1HG2 THR 519 -1.236 0.399 6.996 103 HG23 THR 519 2HG2 THR 519 -2.641 -0.500 7.572 104 H THR 520 H THR 520 0.005 2.167 6.884 105 HA THR 520 HA THR 520 -0.172 4.229 8.937 106 HB THR 520 HB THR 520 1.395 1.782 8.541 107 HG1 THR 520 1HG THR 520 0.835 3.288 10.872 108 HG21 THR 520 3HG2 THR 520 3.366 3.020 8.397 109 HG22 THR 520 1HG2 THR 520 3.216 2.652 10.117 110 HG23 THR 520 2HG2 THR 520 2.783 4.252 9.517 111 H GLN 521 H GLN 521 2.424 3.242 6.719 112 HA GLN 521 HA GLN 521 3.237 6.039 6.549 113 HB2 GLN 521 2HB GLN 521 5.384 5.244 5.857 114 HB3 GLN 521 1HB GLN 521 4.881 4.290 7.241 115 HG2 GLN 521 2HG GLN 521 4.883 2.387 6.095 116 HG3 GLN 521 1HG GLN 521 4.126 3.113 4.683 117 HE21 GLN 521 1HE2 GLN 521 6.051 5.110 4.147 118 HE22 GLN 521 2HE2 GLN 521 7.499 4.340 3.617 119 H ASP 522 H ASP 522 4.615 6.107 4.263 120 HA ASP 522 HA ASP 522 2.501 6.217 2.284 121 HB2 ASP 522 2HB ASP 522 5.355 7.176 2.206 122 HB3 ASP 522 1HB ASP 522 4.172 7.448 0.932 123 H GLU 523 H GLU 523 3.854 3.654 3.136 124 HA GLU 523 HA GLU 523 4.338 1.655 2.163 125 HB2 GLU 523 2HB GLU 523 3.932 2.978 -0.512 126 HB3 GLU 523 1HB GLU 523 3.785 1.271 -0.120 127 HG2 GLU 523 2HG GLU 523 1.766 1.592 1.024 128 HG3 GLU 523 1HG GLU 523 2.000 3.337 1.114 129 H GLY 524 H GLY 524 6.178 4.278 2.064 130 HA2 GLY 524 2HA GLY 524 8.614 3.608 2.146 131 HA3 GLY 524 1HA GLY 524 8.336 3.022 0.512 132 H ALA 525 H ALA 525 6.662 5.897 1.459 133 HA ALA 525 HA ALA 525 8.359 7.396 -0.372 134 HB1 ALA 525 1HB ALA 525 5.690 7.243 -0.305 135 HB2 ALA 525 2HB ALA 525 6.566 8.637 -0.938 136 HB3 ALA 525 3HB ALA 525 5.932 8.667 0.707 137 H ALA 526 H ALA 526 7.538 7.226 2.983 138 HA ALA 526 HA ALA 526 8.581 9.820 3.587 139 HB1 ALA 526 1HB ALA 526 8.310 8.799 6.004 140 HB2 ALA 526 2HB ALA 526 7.296 7.649 5.135 141 HB3 ALA 526 3HB ALA 526 6.921 9.372 5.080 142 H ILE 527 H ILE 527 10.284 7.672 2.365 143 HA ILE 527 HA ILE 527 12.467 7.775 4.322 144 HB ILE 527 HB ILE 527 12.930 5.501 2.781 145 HG12 ILE 527 2HG1 ILE 527 10.493 5.686 2.129 146 HG13 ILE 527 1HG1 ILE 527 10.962 4.157 2.860 147 HG21 ILE 527 1HG2 ILE 527 13.614 5.171 4.894 148 HG22 ILE 527 2HG2 ILE 527 12.009 4.474 5.114 149 HG23 ILE 527 3HG2 ILE 527 12.315 6.149 5.575 150 HD11 ILE 527 3HD1 ILE 527 8.925 5.959 3.642 151 HD12 ILE 527 1HD1 ILE 527 10.117 5.870 4.938 152 HD13 ILE 527 2HD1 ILE 527 9.348 4.397 4.344 153 H GLY 528 H GLY 528 11.573 7.265 0.920 154 HA2 GLY 528 2HA GLY 528 12.810 9.053 -0.489 155 HA3 GLY 528 1HA GLY 528 14.237 8.235 0.125 156 H LEU 529 H LEU 529 12.352 5.725 -0.086 157 HA LEU 529 HA LEU 529 11.970 4.047 -1.529 158 HB2 LEU 529 2HB LEU 529 11.270 6.325 -2.929 159 HB3 LEU 529 1HB LEU 529 12.320 5.455 -4.033 160 HG LEU 529 HG LEU 529 9.673 4.635 -2.915 161 HD11 LEU 529 1HD1 LEU 529 10.844 4.404 -5.679 162 HD12 LEU 529 2HD1 LEU 529 9.900 5.784 -5.116 163 HD13 LEU 529 3HD1 LEU 529 9.158 4.186 -5.206 164 HD21 LEU 529 3HD2 LEU 529 10.194 2.356 -3.918 165 HD22 LEU 529 1HD2 LEU 529 10.920 2.738 -2.353 166 HD23 LEU 529 2HD2 LEU 529 11.890 2.837 -3.824 167 H ALA 530 H ALA 530 14.569 6.125 -2.706 168 HA ALA 530 HA ALA 530 15.867 3.969 -4.029 169 HB1 ALA 530 1HB ALA 530 16.392 5.945 -5.053 170 HB2 ALA 530 2HB ALA 530 17.815 5.735 -4.034 171 HB3 ALA 530 3HB ALA 530 16.524 6.826 -3.531 172 H TRP 531 H TRP 531 15.905 5.110 -0.814 173 HA TRP 531 HA TRP 531 18.398 4.572 0.164 174 HB2 TRP 531 2HB TRP 531 17.195 3.905 2.305 175 HB3 TRP 531 1HB TRP 531 16.747 5.469 1.637 176 HD1 TRP 531 HD TRP 531 14.511 5.127 -0.186 177 HE1 TRP 531 1HE TRP 531 12.310 3.994 0.391 178 HE3 TRP 531 3HE TRP 531 16.074 2.360 3.809 179 HZ2 TRP 531 2HZ TRP 531 11.323 2.154 2.309 180 HZ3 TRP 531 3HZ TRP 531 14.433 0.940 4.969 181 HH2 TRP 531 HH TRP 531 12.105 0.840 4.235 182 H ILE 532 H ILE 532 16.036 2.320 -0.999 183 HA ILE 532 HA ILE 532 17.709 0.067 -0.135 184 HB ILE 532 HB ILE 532 15.684 -1.298 -0.384 185 HG12 ILE 532 2HG1 ILE 532 14.700 1.169 -1.589 186 HG13 ILE 532 1HG1 ILE 532 14.106 -0.471 -1.754 187 HG21 ILE 532 1HG2 ILE 532 15.570 1.088 1.433 188 HG22 ILE 532 2HG2 ILE 532 16.206 -0.518 1.794 189 HG23 ILE 532 3HG2 ILE 532 14.471 -0.285 1.581 190 HD11 ILE 532 3HD1 ILE 532 12.285 0.403 -0.773 191 HD12 ILE 532 1HD1 ILE 532 13.189 1.711 -0.020 192 HD13 ILE 532 2HD1 ILE 532 13.190 0.106 0.709 193 HA PRO 533 HA PRO 533 18.272 -0.880 -4.421 194 HB2 PRO 533 2HB PRO 533 19.228 -3.352 -4.251 195 HB3 PRO 533 1HB PRO 533 20.087 -1.996 -3.511 196 HG2 PRO 533 2HG PRO 533 18.393 -4.092 -2.235 197 HG3 PRO 533 1HG PRO 533 19.865 -3.314 -1.629 198 HD2 PRO 533 2HD PRO 533 17.220 -2.635 -0.954 199 HD3 PRO 533 1HD PRO 533 18.670 -1.671 -0.618 200 H TYR 534 H TYR 534 16.054 -2.954 -2.614 201 HA TYR 534 HA TYR 534 14.569 -3.417 -5.064 202 HB2 TYR 534 2HB TYR 534 14.542 -5.872 -4.799 203 HB3 TYR 534 1HB TYR 534 16.149 -5.243 -5.147 204 HD1 TYR 534 1HD TYR 534 13.996 -6.180 -2.241 205 HD2 TYR 534 2HD TYR 534 17.927 -5.967 -3.855 206 HE1 TYR 534 1HE TYR 534 14.869 -7.329 -0.249 207 HE2 TYR 534 2HE TYR 534 18.811 -7.117 -1.868 208 HH TYR 534 HH TYR 534 16.850 -8.712 0.358 209 H PHE 535 H PHE 535 14.396 -2.582 -1.941 210 HA PHE 535 HA PHE 535 12.157 -4.190 -1.100 211 HB2 PHE 535 2HB PHE 535 13.290 -1.631 0.026 212 HB3 PHE 535 1HB PHE 535 12.008 -2.558 0.779 213 HD1 PHE 535 2HD PHE 535 15.412 -3.227 -0.612 214 HD2 PHE 535 1HD PHE 535 12.652 -3.791 2.572 215 HE1 PHE 535 2HE PHE 535 17.103 -4.503 0.617 216 HE2 PHE 535 1HE PHE 535 14.344 -5.067 3.813 217 HZ PHE 535 HZ PHE 535 16.575 -5.427 2.836 218 H GLY 536 H GLY 536 12.654 -0.919 -2.302 219 HA2 GLY 536 2HA GLY 536 9.747 -0.565 -2.533 220 HA3 GLY 536 1HA GLY 536 10.920 0.736 -2.439 221 HA PRO 537 HA PRO 537 11.574 1.142 -6.792 222 HB2 PRO 537 2HB PRO 537 14.038 -0.544 -6.745 223 HB3 PRO 537 1HB PRO 537 13.787 1.062 -7.443 224 HG2 PRO 537 2HG PRO 537 15.101 0.768 -5.146 225 HG3 PRO 537 1HG PRO 537 13.992 2.129 -5.393 226 HD2 PRO 537 2HD PRO 537 13.630 -0.351 -3.786 227 HD3 PRO 537 1HD PRO 537 13.018 1.288 -3.486 228 H ALA 538 H ALA 538 12.434 -2.114 -5.688 229 HA ALA 538 HA ALA 538 11.504 -3.345 -8.131 230 HB1 ALA 538 1HB ALA 538 12.102 -4.882 -5.638 231 HB2 ALA 538 2HB ALA 538 13.415 -4.132 -6.546 232 HB3 ALA 538 3HB ALA 538 12.376 -5.327 -7.322 233 H ALA 539 H ALA 539 10.299 -2.688 -4.931 234 HA ALA 539 HA ALA 539 8.176 -4.493 -4.778 235 HB1 ALA 539 1HB ALA 539 8.281 -3.503 -2.777 236 HB2 ALA 539 2HB ALA 539 7.223 -2.280 -3.482 237 HB3 ALA 539 3HB ALA 539 8.966 -2.022 -3.444 238 H GLU 540 H GLU 540 5.990 -4.333 -5.279 239 HA GLU 540 HA GLU 540 5.234 -2.206 -7.167 240 HB2 GLU 540 2HB GLU 540 4.544 -5.139 -7.424 241 HB3 GLU 540 1HB GLU 540 3.991 -3.857 -8.493 242 HG2 GLU 540 2HG GLU 540 6.624 -3.463 -8.683 243 HG3 GLU 540 1HG GLU 540 6.618 -5.189 -8.324 244 H GLY 541 H GLY 541 4.242 -4.564 -4.769 245 HA2 GLY 541 2HA GLY 541 1.681 -3.126 -4.475 246 HA3 GLY 541 1HA GLY 541 1.898 -4.830 -4.102 247 H ILE 542 H ILE 542 4.321 -2.485 -3.262 248 HA ILE 542 HA ILE 542 3.395 -2.403 -0.486 249 HB ILE 542 HB ILE 542 6.298 -2.866 -0.860 250 HG12 ILE 542 2HG1 ILE 542 5.769 -5.391 -0.671 251 HG13 ILE 542 1HG1 ILE 542 4.193 -4.952 -1.333 252 HG21 ILE 542 1HG2 ILE 542 4.759 -4.345 1.157 253 HG22 ILE 542 2HG2 ILE 542 4.669 -2.589 1.291 254 HG23 ILE 542 3HG2 ILE 542 6.236 -3.397 1.325 255 HD11 ILE 542 3HD1 ILE 542 5.196 -5.299 -3.306 256 HD12 ILE 542 1HD1 ILE 542 6.815 -5.101 -2.634 257 HD13 ILE 542 2HD1 ILE 542 5.856 -3.677 -3.056 258 H TYR 543 H TYR 543 4.659 -0.799 -3.154 259 HA TYR 543 HA TYR 543 5.568 1.381 -1.465 260 HB2 TYR 543 2HB TYR 543 7.492 1.549 -2.620 261 HB3 TYR 543 1HB TYR 543 7.185 -0.127 -3.008 262 HD1 TYR 543 2HD TYR 543 5.986 -0.644 -5.185 263 HD2 TYR 543 1HD TYR 543 7.687 3.156 -4.313 264 HE1 TYR 543 2HE TYR 543 5.984 -0.100 -7.576 265 HE2 TYR 543 1HE TYR 543 7.697 3.713 -6.700 266 HH TYR 543 HH TYR 543 7.081 1.367 -9.139 267 H ILE 544 H ILE 544 4.155 0.428 -4.554 268 HA ILE 544 HA ILE 544 3.072 1.622 -6.193 269 HB ILE 544 HB ILE 544 1.422 2.545 -3.858 270 HG12 ILE 544 2HG1 ILE 544 0.194 0.287 -4.486 271 HG13 ILE 544 1HG1 ILE 544 1.812 -0.185 -4.994 272 HG21 ILE 544 1HG2 ILE 544 -0.419 2.103 -5.540 273 HG22 ILE 544 2HG2 ILE 544 0.859 1.975 -6.750 274 HG23 ILE 544 3HG2 ILE 544 0.631 3.484 -5.864 275 HD11 ILE 544 3HD1 ILE 544 0.936 0.664 -2.249 276 HD12 ILE 544 1HD1 ILE 544 2.616 0.406 -2.713 277 HD13 ILE 544 2HD1 ILE 544 1.473 -0.934 -2.761 278 H GLU 545 H GLU 545 2.702 3.848 -3.472 279 HA GLU 545 HA GLU 545 3.162 6.052 -3.208 280 HB2 GLU 545 2HB GLU 545 4.955 5.780 -5.619 281 HB3 GLU 545 1HB GLU 545 5.023 7.027 -4.378 282 HG2 GLU 545 2HG GLU 545 5.405 5.098 -2.742 283 HG3 GLU 545 1HG GLU 545 5.765 4.136 -4.173 284 H GLY 546 H GLY 546 1.107 6.683 -3.661 285 HA2 GLY 546 2HA GLY 546 0.553 8.663 -5.379 286 HA3 GLY 546 1HA GLY 546 0.281 7.245 -6.382 287 H LEU 547 H LEU 547 -0.519 5.912 -3.671 288 HA LEU 547 HA LEU 547 -3.238 7.055 -3.525 289 HB2 LEU 547 2HB LEU 547 -4.242 4.987 -3.715 290 HB3 LEU 547 1HB LEU 547 -2.917 4.859 -4.854 291 HG LEU 547 HG LEU 547 -2.943 3.724 -2.054 292 HD11 LEU 547 1HD1 LEU 547 -2.750 2.062 -4.512 293 HD12 LEU 547 2HD1 LEU 547 -4.330 2.695 -4.051 294 HD13 LEU 547 3HD1 LEU 547 -3.429 1.674 -2.931 295 HD21 LEU 547 3HD2 LEU 547 -0.856 3.725 -4.222 296 HD22 LEU 547 1HD2 LEU 547 -0.851 2.580 -2.880 297 HD23 LEU 547 2HD2 LEU 547 -0.710 4.311 -2.564 298 H MET 548 H MET 548 -0.492 6.353 -1.867 299 HA MET 548 HA MET 548 -1.691 5.392 0.562 300 HB2 MET 548 2HB MET 548 0.852 6.300 1.258 301 HB3 MET 548 1HB MET 548 0.379 4.650 0.911 302 HG2 MET 548 2HG MET 548 2.175 4.866 -0.452 303 HG3 MET 548 1HG MET 548 0.910 5.343 -1.568 304 HE1 MET 548 3HE MET 548 0.067 8.042 -0.991 305 HE2 MET 548 1HE MET 548 0.802 8.025 -2.588 306 HE3 MET 548 2HE MET 548 1.248 9.271 -1.425 307 H HIS 549 H HIS 549 -3.229 7.085 0.880 308 HA HIS 549 HA HIS 549 -2.044 9.405 2.242 309 HB2 HIS 549 2HB HIS 549 -4.613 9.782 0.767 310 HB3 HIS 549 1HB HIS 549 -3.363 10.957 1.156 311 HD1 HIS 549 1HD HIS 549 -4.781 9.854 -1.707 312 HD2 HIS 549 2HD HIS 549 -0.840 9.710 -0.405 313 HE1 HIS 549 1HE HIS 549 -3.393 9.629 -3.794 314 HE2 HIS 549 2HE HIS 549 -1.018 9.448 -2.972 315 H ASN 550 H ASN 550 -5.306 8.166 1.582 316 HA ASN 550 HA ASN 550 -5.947 6.991 3.954 317 HB2 ASN 550 2HB ASN 550 -5.808 9.910 4.231 318 HB3 ASN 550 1HB ASN 550 -7.341 9.224 4.760 319 HD21 ASN 550 1HD2 ASN 550 -5.575 10.478 6.487 320 HD22 ASN 550 2HD2 ASN 550 -4.949 9.308 7.594 321 H GLN 551 H GLN 551 -6.857 6.170 1.820 322 HA GLN 551 HA GLN 551 -9.297 7.479 0.967 323 HB2 GLN 551 2HB GLN 551 -8.677 4.817 -0.133 324 HB3 GLN 551 1HB GLN 551 -9.145 6.295 -0.956 325 HG2 GLN 551 2HG GLN 551 -7.055 6.411 -1.681 326 HG3 GLN 551 1HG GLN 551 -6.595 6.840 -0.037 327 HE21 GLN 551 1HE2 GLN 551 -7.001 4.407 1.233 328 HE22 GLN 551 2HE2 GLN 551 -5.854 3.264 0.637 329 H ASP 552 H ASP 552 -8.690 4.067 1.573 330 HA ASP 552 HA ASP 552 -9.899 2.444 2.596 331 HB2 ASP 552 2HB ASP 552 -9.722 4.535 4.413 332 HB3 ASP 552 1HB ASP 552 -11.442 4.155 4.392 333 H GLY 553 H GLY 553 -11.044 4.156 0.374 334 HA2 GLY 553 2HA GLY 553 -13.867 3.370 0.758 335 HA3 GLY 553 1HA GLY 553 -13.400 4.836 -0.096 336 H LEU 554 H LEU 554 -11.194 3.746 -1.496 337 HA LEU 554 HA LEU 554 -12.603 2.436 -3.651 338 HB2 LEU 554 2HB LEU 554 -10.493 2.689 -4.869 339 HB3 LEU 554 1HB LEU 554 -11.035 4.202 -4.170 340 HG LEU 554 HG LEU 554 -9.362 3.246 -2.207 341 HD11 LEU 554 1HD1 LEU 554 -7.869 2.753 -4.754 342 HD12 LEU 554 2HD1 LEU 554 -8.766 1.452 -3.974 343 HD13 LEU 554 3HD1 LEU 554 -7.466 2.269 -3.106 344 HD21 LEU 554 3HD2 LEU 554 -8.068 4.837 -4.325 345 HD22 LEU 554 1HD2 LEU 554 -8.250 5.165 -2.602 346 HD23 LEU 554 2HD2 LEU 554 -9.588 5.481 -3.704 347 H ILE 555 H ILE 555 -11.232 1.343 -0.889 348 HA ILE 555 HA ILE 555 -10.752 -1.304 -2.028 349 HB ILE 555 HB ILE 555 -8.785 -1.615 -0.561 350 HG12 ILE 555 2HG1 ILE 555 -9.321 0.179 1.070 351 HG13 ILE 555 1HG1 ILE 555 -7.684 0.289 0.455 352 HG21 ILE 555 1HG2 ILE 555 -7.743 0.611 -2.043 353 HG22 ILE 555 2HG2 ILE 555 -8.926 -0.275 -3.006 354 HG23 ILE 555 3HG2 ILE 555 -7.537 -1.120 -2.320 355 HD11 ILE 555 3HD1 ILE 555 -9.061 1.878 -1.273 356 HD12 ILE 555 1HD1 ILE 555 -8.126 2.428 0.116 357 HD13 ILE 555 2HD1 ILE 555 -9.867 2.181 0.265 358 H CYS 556 H CYS 556 -11.195 0.701 0.838 359 HA CYS 556 HA CYS 556 -12.224 -1.623 2.280 360 HB2 CYS 556 2HB CYS 556 -10.457 0.356 3.064 361 HB3 CYS 556 1HB CYS 556 -11.975 0.862 3.802 362 H GLY 557 H GLY 557 -14.271 -1.649 3.169 363 HA2 GLY 557 2HA GLY 557 -16.017 0.537 3.350 364 HA3 GLY 557 1HA GLY 557 -16.294 -0.257 1.806 365 H LEU 558 H LEU 558 -16.649 -2.662 1.934 366 HA LEU 558 HA LEU 558 -17.811 -3.542 4.455 367 HB2 LEU 558 2HB LEU 558 -19.889 -4.249 3.361 368 HB3 LEU 558 1HB LEU 558 -19.666 -2.512 3.328 369 HG LEU 558 HG LEU 558 -18.866 -4.149 0.954 370 HD11 LEU 558 1HD1 LEU 558 -20.986 -4.326 0.117 371 HD12 LEU 558 2HD1 LEU 558 -21.605 -3.002 1.104 372 HD13 LEU 558 3HD1 LEU 558 -21.300 -4.579 1.834 373 HD21 LEU 558 3HD2 LEU 558 -18.681 -2.171 -0.075 374 HD22 LEU 558 1HD2 LEU 558 -18.674 -1.487 1.550 375 HD23 LEU 558 2HD2 LEU 558 -20.177 -1.558 0.630 376 H ARG 559 H ARG 559 -16.959 -4.348 1.113 377 HA ARG 559 HA ARG 559 -15.486 -6.610 1.728 378 HB2 ARG 559 2HB ARG 559 -17.106 -8.376 0.870 379 HB3 ARG 559 1HB ARG 559 -17.435 -7.744 2.481 380 HG2 ARG 559 2HG ARG 559 -19.516 -7.453 1.724 381 HG3 ARG 559 1HG ARG 559 -18.845 -6.027 0.925 382 HD2 ARG 559 2HD ARG 559 -19.471 -6.891 -1.015 383 HD3 ARG 559 1HD ARG 559 -18.279 -8.169 -0.777 384 HE ARG 559 HE ARG 559 -20.664 -8.796 0.600 385 HH11 ARG 559 1HH1 ARG 559 -19.350 -8.627 -2.629 386 HH12 ARG 559 2HH1 ARG 559 -20.413 -9.840 -3.259 387 HH21 ARG 559 1HH2 ARG 559 -22.062 -10.392 -0.228 388 HH22 ARG 559 2HH2 ARG 559 -21.952 -10.842 -1.896 389 H GLN 560 H GLN 560 -15.587 -4.396 -0.037 390 HA GLN 560 HA GLN 560 -16.080 -5.308 -2.702 391 HB2 GLN 560 2HB GLN 560 -15.237 -3.177 -3.422 392 HB3 GLN 560 1HB GLN 560 -16.236 -2.916 -2.000 393 HG2 GLN 560 2HG GLN 560 -13.287 -3.232 -1.681 394 HG3 GLN 560 1HG GLN 560 -13.948 -1.702 -2.254 395 HE21 GLN 560 1HE2 GLN 560 -13.623 -3.862 0.420 396 HE22 GLN 560 2HE2 GLN 560 -14.283 -2.814 1.623 Start of MODEL 5 1 H1 ALA 507 1HT ALA 507 -9.430 -7.612 -6.904 2 H2 ALA 507 2HT ALA 507 -8.930 -8.591 -8.223 3 H3 ALA 507 3HT ALA 507 -9.608 -9.315 -6.822 4 HA ALA 507 HA ALA 507 -10.887 -7.803 -8.959 5 HB1 ALA 507 1HB ALA 507 -12.122 -10.107 -7.572 6 HB2 ALA 507 2HB ALA 507 -10.686 -10.430 -8.542 7 HB3 ALA 507 3HB ALA 507 -12.103 -9.689 -9.285 8 H GLN 508 H GLN 508 -11.723 -9.095 -5.737 9 HA GLN 508 HA GLN 508 -12.917 -6.581 -4.972 10 HB2 GLN 508 2HB GLN 508 -15.136 -7.683 -4.461 11 HB3 GLN 508 1HB GLN 508 -14.794 -7.407 -6.164 12 HG2 GLN 508 2HG GLN 508 -15.308 -9.535 -6.498 13 HG3 GLN 508 1HG GLN 508 -13.795 -9.940 -5.688 14 HE21 GLN 508 1HE2 GLN 508 -17.088 -8.949 -4.798 15 HE22 GLN 508 2HE2 GLN 508 -17.282 -10.114 -3.538 16 HA PRO 509 HA PRO 509 -11.428 -9.428 -1.535 17 HB2 PRO 509 2HB PRO 509 -9.019 -8.392 -1.008 18 HB3 PRO 509 1HB PRO 509 -9.248 -9.559 -2.318 19 HG2 PRO 509 2HG PRO 509 -9.010 -6.578 -2.458 20 HG3 PRO 509 1HG PRO 509 -8.278 -7.809 -3.504 21 HD2 PRO 509 2HD PRO 509 -10.553 -6.401 -4.137 22 HD3 PRO 509 1HD PRO 509 -10.158 -8.003 -4.790 23 H LYS 510 H LYS 510 -11.087 -8.838 0.716 24 HA LYS 510 HA LYS 510 -12.421 -6.363 1.385 25 HB2 LYS 510 2HB LYS 510 -11.294 -8.513 3.188 26 HB3 LYS 510 1HB LYS 510 -12.341 -7.193 3.691 27 HG2 LYS 510 2HG LYS 510 -14.144 -8.373 3.191 28 HG3 LYS 510 1HG LYS 510 -13.576 -8.613 1.538 29 HD2 LYS 510 2HD LYS 510 -12.191 -10.266 3.515 30 HD3 LYS 510 1HD LYS 510 -13.921 -10.590 3.403 31 HE2 LYS 510 2HE LYS 510 -13.581 -10.708 0.887 32 HE3 LYS 510 1HE LYS 510 -11.851 -10.744 1.228 33 HZ1 LYS 510 3HZ LYS 510 -13.466 -12.908 1.103 34 HZ2 LYS 510 1HZ LYS 510 -13.365 -12.641 2.772 35 HZ3 LYS 510 2HZ LYS 510 -11.955 -12.865 1.864 36 H CYS 511 H CYS 511 -11.214 -4.567 1.259 37 HA CYS 511 HA CYS 511 -9.589 -3.037 1.701 38 HB2 CYS 511 2HB CYS 511 -8.467 -4.852 3.822 39 HB3 CYS 511 1HB CYS 511 -8.503 -3.093 3.784 40 H ASN 512 H ASN 512 -7.916 -2.696 0.396 41 HA ASN 512 HA ASN 512 -6.162 -4.952 -0.230 42 HB2 ASN 512 2HB ASN 512 -6.473 -2.426 -1.846 43 HB3 ASN 512 1HB ASN 512 -5.627 -3.892 -2.315 44 HD21 ASN 512 1HD2 ASN 512 -8.834 -2.791 -1.275 45 HD22 ASN 512 2HD2 ASN 512 -9.717 -3.835 -2.326 46 HA PRO 513 HA PRO 513 -3.049 -1.624 0.921 47 HB2 PRO 513 2HB PRO 513 -3.809 0.991 0.796 48 HB3 PRO 513 1HB PRO 513 -3.385 0.035 -0.624 49 HG2 PRO 513 2HG PRO 513 -5.963 1.106 0.081 50 HG3 PRO 513 1HG PRO 513 -5.518 0.178 -1.360 51 HD2 PRO 513 2HD PRO 513 -6.740 -0.755 1.180 52 HD3 PRO 513 1HD PRO 513 -6.887 -1.416 -0.459 53 H ASN 514 H ASN 514 -5.834 -1.864 2.682 54 HA ASN 514 HA ASN 514 -4.744 -0.289 4.918 55 HB2 ASN 514 2HB ASN 514 -7.536 -0.765 3.971 56 HB3 ASN 514 1HB ASN 514 -7.269 -0.608 5.704 57 HD21 ASN 514 1HD2 ASN 514 -7.409 1.015 2.675 58 HD22 ASN 514 2HD2 ASN 514 -7.165 2.614 3.276 59 H LEU 515 H LEU 515 -3.511 -2.522 4.751 60 HA LEU 515 HA LEU 515 -4.863 -4.374 6.597 61 HB2 LEU 515 2HB LEU 515 -2.716 -5.667 5.205 62 HB3 LEU 515 1HB LEU 515 -4.407 -6.104 5.286 63 HG LEU 515 HG LEU 515 -3.757 -5.947 3.000 64 HD11 LEU 515 1HD1 LEU 515 -5.774 -5.165 2.598 65 HD12 LEU 515 2HD1 LEU 515 -5.143 -3.527 2.714 66 HD13 LEU 515 3HD1 LEU 515 -5.794 -4.320 4.145 67 HD21 LEU 515 3HD2 LEU 515 -2.070 -4.619 2.442 68 HD22 LEU 515 1HD2 LEU 515 -2.242 -3.674 3.919 69 HD23 LEU 515 2HD2 LEU 515 -3.203 -3.267 2.501 70 H HIS 516 H HIS 516 -1.801 -2.902 5.659 71 HA HIS 516 HA HIS 516 -0.840 -2.923 8.359 72 HB2 HIS 516 2HB HIS 516 1.303 -4.206 7.434 73 HB3 HIS 516 1HB HIS 516 -0.046 -5.071 8.161 74 HD1 HIS 516 1HD HIS 516 0.557 -7.193 6.721 75 HD2 HIS 516 2HD HIS 516 -0.477 -3.830 4.513 76 HE1 HIS 516 1HE HIS 516 0.158 -8.010 4.372 77 HE2 HIS 516 2HE HIS 516 -0.549 -5.978 3.081 78 H TYR 517 H TYR 517 1.170 -3.189 5.469 79 HA TYR 517 HA TYR 517 2.656 -0.925 5.984 80 HB2 TYR 517 2HB TYR 517 2.115 -1.683 3.141 81 HB3 TYR 517 1HB TYR 517 3.631 -1.203 3.894 82 HD1 TYR 517 2HD TYR 517 4.975 -2.852 5.138 83 HD2 TYR 517 1HD TYR 517 1.384 -3.966 3.161 84 HE1 TYR 517 2HE TYR 517 5.613 -5.222 5.318 85 HE2 TYR 517 1HE TYR 517 1.998 -6.328 3.330 86 HH TYR 517 HH TYR 517 3.938 -7.710 3.631 87 H TRP 518 H TRP 518 1.969 0.214 3.108 88 HA TRP 518 HA TRP 518 0.994 2.307 2.710 89 HB2 TRP 518 2HB TRP 518 -1.671 1.174 2.805 90 HB3 TRP 518 1HB TRP 518 -0.739 1.694 1.426 91 HD1 TRP 518 HD TRP 518 -0.130 -1.372 3.711 92 HE1 TRP 518 1HE TRP 518 -0.020 -3.416 2.219 93 HE3 TRP 518 3HE TRP 518 -1.237 0.810 -0.772 94 HZ2 TRP 518 2HZ TRP 518 -0.398 -4.091 -0.499 95 HZ3 TRP 518 3HZ TRP 518 -1.360 -0.614 -2.772 96 HH2 TRP 518 HH TRP 518 -0.950 -3.016 -2.638 97 H THR 519 H THR 519 -1.243 0.717 4.959 98 HA THR 519 HA THR 519 -2.252 3.182 5.952 99 HB THR 519 HB THR 519 -3.620 1.169 5.989 100 HG1 THR 519 1HG THR 519 -3.901 2.785 7.647 101 HG21 THR 519 3HG2 THR 519 -1.873 -0.495 6.413 102 HG22 THR 519 1HG2 THR 519 -3.231 -0.646 7.528 103 HG23 THR 519 2HG2 THR 519 -1.726 0.101 8.067 104 H THR 520 H THR 520 0.417 1.163 6.797 105 HA THR 520 HA THR 520 0.718 2.281 9.440 106 HB THR 520 HB THR 520 1.725 0.027 8.122 107 HG1 THR 520 1HG THR 520 2.502 1.046 10.641 108 HG21 THR 520 3HG2 THR 520 3.710 0.932 7.305 109 HG22 THR 520 1HG2 THR 520 4.156 0.173 8.832 110 HG23 THR 520 2HG2 THR 520 3.959 1.923 8.743 111 H GLN 521 H GLN 521 2.839 2.419 6.569 112 HA GLN 521 HA GLN 521 3.841 4.986 7.551 113 HB2 GLN 521 2HB GLN 521 5.777 4.637 6.197 114 HB3 GLN 521 1HB GLN 521 5.454 3.134 7.046 115 HG2 GLN 521 2HG GLN 521 4.699 2.063 5.118 116 HG3 GLN 521 1HG GLN 521 4.463 3.581 4.262 117 HE21 GLN 521 1HE2 GLN 521 6.439 4.849 3.783 118 HE22 GLN 521 2HE2 GLN 521 7.880 3.979 3.394 119 H ASP 522 H ASP 522 4.851 5.715 4.903 120 HA ASP 522 HA ASP 522 2.352 6.771 3.791 121 HB2 ASP 522 2HB ASP 522 5.174 7.724 3.843 122 HB3 ASP 522 1HB ASP 522 4.103 8.273 2.560 123 H GLU 523 H GLU 523 3.297 4.101 3.240 124 HA GLU 523 HA GLU 523 3.761 2.663 1.518 125 HB2 GLU 523 2HB GLU 523 1.708 4.494 0.750 126 HB3 GLU 523 1HB GLU 523 2.669 4.110 -0.670 127 HG2 GLU 523 2HG GLU 523 2.295 1.768 -0.347 128 HG3 GLU 523 1HG GLU 523 1.453 2.074 1.167 129 H GLY 524 H GLY 524 6.041 3.388 1.845 130 HA2 GLY 524 2HA GLY 524 8.026 3.549 0.587 131 HA3 GLY 524 1HA GLY 524 7.109 4.304 -0.711 132 H ALA 525 H ALA 525 5.762 6.073 1.292 133 HA ALA 525 HA ALA 525 5.998 8.216 1.965 134 HB1 ALA 525 1HB ALA 525 7.642 6.656 3.503 135 HB2 ALA 525 2HB ALA 525 7.164 8.317 3.856 136 HB3 ALA 525 3HB ALA 525 8.683 7.994 3.019 137 H ALA 526 H ALA 526 7.479 7.289 -0.649 138 HA ALA 526 HA ALA 526 8.853 8.199 -2.212 139 HB1 ALA 526 1HB ALA 526 6.800 9.845 -1.816 140 HB2 ALA 526 2HB ALA 526 8.083 10.198 -2.972 141 HB3 ALA 526 3HB ALA 526 8.110 10.939 -1.372 142 H ILE 527 H ILE 527 9.783 8.058 0.719 143 HA ILE 527 HA ILE 527 11.552 10.136 1.258 144 HB ILE 527 HB ILE 527 12.863 8.178 2.447 145 HG12 ILE 527 2HG1 ILE 527 11.520 6.280 3.022 146 HG13 ILE 527 1HG1 ILE 527 10.120 6.951 2.197 147 HG21 ILE 527 1HG2 ILE 527 10.397 9.633 3.143 148 HG22 ILE 527 2HG2 ILE 527 11.979 9.642 3.921 149 HG23 ILE 527 3HG2 ILE 527 10.865 8.305 4.205 150 HD11 ILE 527 3HD1 ILE 527 10.917 6.397 0.119 151 HD12 ILE 527 1HD1 ILE 527 11.529 5.064 1.099 152 HD13 ILE 527 2HD1 ILE 527 12.600 6.392 0.648 153 H GLY 528 H GLY 528 11.758 7.646 -1.104 154 HA2 GLY 528 2HA GLY 528 13.793 8.664 -2.575 155 HA3 GLY 528 1HA GLY 528 14.635 7.733 -1.347 156 H LEU 529 H LEU 529 12.989 5.551 -1.085 157 HA LEU 529 HA LEU 529 12.434 3.537 -1.981 158 HB2 LEU 529 2HB LEU 529 12.281 5.168 -4.496 159 HB3 LEU 529 1HB LEU 529 11.987 3.443 -4.484 160 HG LEU 529 HG LEU 529 10.036 3.679 -3.160 161 HD11 LEU 529 1HD1 LEU 529 9.339 5.990 -2.367 162 HD12 LEU 529 2HD1 LEU 529 11.008 6.476 -2.666 163 HD13 LEU 529 3HD1 LEU 529 10.655 5.209 -1.489 164 HD21 LEU 529 3HD2 LEU 529 10.373 5.292 -5.552 165 HD22 LEU 529 1HD2 LEU 529 9.069 5.876 -4.519 166 HD23 LEU 529 2HD2 LEU 529 9.060 4.209 -5.093 167 H ALA 530 H ALA 530 15.000 5.289 -3.599 168 HA ALA 530 HA ALA 530 16.180 2.905 -4.635 169 HB1 ALA 530 1HB ALA 530 16.393 5.115 -5.747 170 HB2 ALA 530 2HB ALA 530 17.938 4.308 -5.475 171 HB3 ALA 530 3HB ALA 530 17.438 5.633 -4.424 172 H TRP 531 H TRP 531 16.407 4.646 -1.688 173 HA TRP 531 HA TRP 531 18.917 4.166 -0.741 174 HB2 TRP 531 2HB TRP 531 17.825 4.019 1.545 175 HB3 TRP 531 1HB TRP 531 17.412 5.440 0.596 176 HD1 TRP 531 HD TRP 531 15.016 4.913 -0.961 177 HE1 TRP 531 1HE TRP 531 12.817 4.057 -0.010 178 HE3 TRP 531 3HE TRP 531 16.763 2.840 3.367 179 HZ2 TRP 531 2HZ TRP 531 11.897 2.685 2.287 180 HZ3 TRP 531 3HZ TRP 531 15.152 1.777 4.895 181 HH2 TRP 531 HH TRP 531 12.768 1.703 4.365 182 H ILE 532 H ILE 532 16.382 1.861 -1.293 183 HA ILE 532 HA ILE 532 18.043 -0.248 -0.106 184 HB ILE 532 HB ILE 532 16.010 -1.537 0.126 185 HG12 ILE 532 2HG1 ILE 532 14.957 0.109 -1.793 186 HG13 ILE 532 1HG1 ILE 532 14.045 -1.032 -0.817 187 HG21 ILE 532 1HG2 ILE 532 16.168 1.156 1.377 188 HG22 ILE 532 2HG2 ILE 532 16.517 -0.428 2.081 189 HG23 ILE 532 3HG2 ILE 532 14.847 0.059 1.787 190 HD11 ILE 532 3HD1 ILE 532 12.945 1.097 -0.824 191 HD12 ILE 532 1HD1 ILE 532 14.417 1.896 -0.275 192 HD13 ILE 532 2HD1 ILE 532 13.576 0.770 0.791 193 HA PRO 533 HA PRO 533 18.037 -2.182 -4.097 194 HB2 PRO 533 2HB PRO 533 18.678 -4.686 -3.441 195 HB3 PRO 533 1HB PRO 533 19.767 -3.339 -3.091 196 HG2 PRO 533 2HG PRO 533 18.069 -4.917 -1.251 197 HG3 PRO 533 1HG PRO 533 19.581 -4.056 -0.928 198 HD2 PRO 533 2HD PRO 533 16.905 -3.167 -0.423 199 HD3 PRO 533 1HD PRO 533 18.417 -2.285 -0.137 200 H TYR 534 H TYR 534 15.476 -2.998 -1.970 201 HA TYR 534 HA TYR 534 13.970 -4.071 -4.177 202 HB2 TYR 534 2HB TYR 534 13.375 -6.198 -3.035 203 HB3 TYR 534 1HB TYR 534 15.062 -6.101 -3.529 204 HD1 TYR 534 2HD TYR 534 12.838 -5.628 -0.580 205 HD2 TYR 534 1HD TYR 534 16.757 -6.510 -1.981 206 HE1 TYR 534 2HE TYR 534 13.531 -6.167 1.716 207 HE2 TYR 534 1HE TYR 534 17.461 -7.053 0.312 208 HH TYR 534 HH TYR 534 16.819 -6.620 2.586 209 H PHE 535 H PHE 535 14.043 -3.079 -0.802 210 HA PHE 535 HA PHE 535 11.331 -3.430 -0.198 211 HB2 PHE 535 2HB PHE 535 13.006 -1.117 0.791 212 HB3 PHE 535 1HB PHE 535 11.583 -1.796 1.555 213 HD1 PHE 535 2HD PHE 535 15.065 -2.631 0.602 214 HD2 PHE 535 1HD PHE 535 11.806 -3.397 3.210 215 HE1 PHE 535 2HE PHE 535 16.526 -4.011 1.991 216 HE2 PHE 535 1HE PHE 535 13.265 -4.788 4.621 217 HZ PHE 535 HZ PHE 535 15.633 -5.092 4.010 218 H GLY 536 H GLY 536 12.940 -1.074 -2.160 219 HA2 GLY 536 2HA GLY 536 10.406 0.410 -2.437 220 HA3 GLY 536 1HA GLY 536 11.997 1.126 -2.644 221 HA PRO 537 HA PRO 537 12.133 0.146 -6.939 222 HB2 PRO 537 2HB PRO 537 14.300 -1.841 -6.780 223 HB3 PRO 537 1HB PRO 537 14.293 -0.249 -7.544 224 HG2 PRO 537 2HG PRO 537 15.678 -0.714 -5.294 225 HG3 PRO 537 1HG PRO 537 14.876 0.842 -5.585 226 HD2 PRO 537 2HD PRO 537 13.976 -1.469 -3.896 227 HD3 PRO 537 1HD PRO 537 13.939 0.269 -3.533 228 H ALA 538 H ALA 538 12.288 -2.751 -4.943 229 HA ALA 538 HA ALA 538 11.113 -4.369 -7.070 230 HB1 ALA 538 1HB ALA 538 11.732 -5.362 -4.311 231 HB2 ALA 538 2HB ALA 538 13.007 -5.138 -5.508 232 HB3 ALA 538 3HB ALA 538 11.683 -6.256 -5.830 233 H ALA 539 H ALA 539 10.234 -2.753 -4.131 234 HA ALA 539 HA ALA 539 7.888 -4.181 -3.502 235 HB1 ALA 539 1HB ALA 539 7.266 -1.937 -2.378 236 HB2 ALA 539 2HB ALA 539 8.895 -1.444 -2.843 237 HB3 ALA 539 3HB ALA 539 8.663 -2.836 -1.785 238 H GLU 540 H GLU 540 5.894 -4.141 -4.314 239 HA GLU 540 HA GLU 540 5.176 -1.999 -6.200 240 HB2 GLU 540 2HB GLU 540 4.330 -4.872 -6.553 241 HB3 GLU 540 1HB GLU 540 4.172 -3.549 -7.701 242 HG2 GLU 540 2HG GLU 540 6.877 -3.646 -7.227 243 HG3 GLU 540 1HG GLU 540 6.401 -5.344 -7.216 244 H GLY 541 H GLY 541 4.251 -4.138 -3.644 245 HA2 GLY 541 2HA GLY 541 1.564 -2.911 -3.599 246 HA3 GLY 541 1HA GLY 541 1.890 -4.549 -3.048 247 H ILE 542 H ILE 542 3.929 -1.766 -2.438 248 HA ILE 542 HA ILE 542 2.987 -1.551 0.311 249 HB ILE 542 HB ILE 542 5.936 -1.807 -0.048 250 HG12 ILE 542 2HG1 ILE 542 5.598 -4.280 0.624 251 HG13 ILE 542 1HG1 ILE 542 3.973 -4.083 -0.031 252 HG21 ILE 542 1HG2 ILE 542 5.944 -1.754 2.176 253 HG22 ILE 542 2HG2 ILE 542 4.730 -3.027 2.281 254 HG23 ILE 542 3HG2 ILE 542 4.231 -1.348 2.086 255 HD11 ILE 542 3HD1 ILE 542 5.526 -3.043 -2.026 256 HD12 ILE 542 1HD1 ILE 542 4.900 -4.695 -1.967 257 HD13 ILE 542 2HD1 ILE 542 6.534 -4.353 -1.403 258 H TYR 543 H TYR 543 4.864 -0.369 -2.382 259 HA TYR 543 HA TYR 543 5.302 2.156 -1.029 260 HB2 TYR 543 2HB TYR 543 7.207 2.320 -2.231 261 HB3 TYR 543 1HB TYR 543 7.015 0.588 -2.397 262 HD1 TYR 543 1HD TYR 543 5.798 -0.270 -4.478 263 HD2 TYR 543 2HD TYR 543 7.320 3.684 -4.116 264 HE1 TYR 543 1HE TYR 543 5.754 -0.034 -6.922 265 HE2 TYR 543 2HE TYR 543 7.281 3.934 -6.556 266 HH TYR 543 HH TYR 543 7.343 2.431 -8.566 267 H ILE 544 H ILE 544 4.002 0.764 -4.005 268 HA ILE 544 HA ILE 544 2.837 1.690 -5.763 269 HB ILE 544 HB ILE 544 1.106 2.687 -3.512 270 HG12 ILE 544 2HG1 ILE 544 0.012 0.465 -3.609 271 HG13 ILE 544 1HG1 ILE 544 1.284 -0.091 -4.692 272 HG21 ILE 544 1HG2 ILE 544 0.791 2.331 -6.401 273 HG22 ILE 544 2HG2 ILE 544 -0.077 3.383 -5.284 274 HG23 ILE 544 3HG2 ILE 544 -0.534 1.687 -5.432 275 HD11 ILE 544 3HD1 ILE 544 1.290 -0.446 -2.027 276 HD12 ILE 544 1HD1 ILE 544 2.204 1.055 -2.155 277 HD13 ILE 544 2HD1 ILE 544 2.744 -0.380 -3.021 278 H GLU 545 H GLU 545 2.254 4.124 -3.275 279 HA GLU 545 HA GLU 545 2.576 6.369 -3.203 280 HB2 GLU 545 2HB GLU 545 4.205 6.148 -5.719 281 HB3 GLU 545 1HB GLU 545 4.323 7.359 -4.446 282 HG2 GLU 545 2HG GLU 545 4.994 5.476 -2.904 283 HG3 GLU 545 1HG GLU 545 5.156 4.476 -4.344 284 H GLY 546 H GLY 546 0.373 5.162 -4.546 285 HA2 GLY 546 2HA GLY 546 -0.372 7.426 -6.263 286 HA3 GLY 546 1HA GLY 546 -0.625 5.791 -6.851 287 H LEU 547 H LEU 547 -1.140 5.517 -3.629 288 HA LEU 547 HA LEU 547 -3.907 6.496 -3.704 289 HB2 LEU 547 2HB LEU 547 -4.876 4.422 -3.149 290 HB3 LEU 547 1HB LEU 547 -3.841 4.148 -4.536 291 HG LEU 547 HG LEU 547 -2.886 3.579 -1.746 292 HD11 LEU 547 1HD1 LEU 547 -4.530 1.818 -3.545 293 HD12 LEU 547 2HD1 LEU 547 -4.866 2.290 -1.880 294 HD13 LEU 547 3HD1 LEU 547 -3.528 1.196 -2.234 295 HD21 LEU 547 3HD2 LEU 547 -1.563 1.862 -3.114 296 HD22 LEU 547 1HD2 LEU 547 -1.102 3.559 -3.251 297 HD23 LEU 547 2HD2 LEU 547 -2.061 2.799 -4.522 298 H MET 548 H MET 548 -1.105 6.178 -1.986 299 HA MET 548 HA MET 548 -2.188 5.772 0.621 300 HB2 MET 548 2HB MET 548 0.197 6.823 1.216 301 HB3 MET 548 1HB MET 548 -0.015 5.149 0.745 302 HG2 MET 548 2HG MET 548 1.870 6.061 -0.407 303 HG3 MET 548 1HG MET 548 0.589 5.763 -1.577 304 HE1 MET 548 3HE MET 548 -0.599 8.537 -2.978 305 HE2 MET 548 1HE MET 548 0.151 6.955 -3.173 306 HE3 MET 548 2HE MET 548 1.037 8.411 -3.623 307 H HIS 549 H HIS 549 -3.874 7.418 0.391 308 HA HIS 549 HA HIS 549 -2.887 9.997 1.390 309 HB2 HIS 549 2HB HIS 549 -5.366 10.257 -0.132 310 HB3 HIS 549 1HB HIS 549 -3.903 11.228 -0.196 311 HD1 HIS 549 1HD HIS 549 -5.870 9.614 -2.454 312 HD2 HIS 549 2HD HIS 549 -1.822 9.252 -1.592 313 HE1 HIS 549 1HE HIS 549 -4.831 8.625 -4.517 314 HE2 HIS 549 2HE HIS 549 -2.366 8.501 -4.007 315 H ASN 550 H ASN 550 -3.974 7.580 2.675 316 HA ASN 550 HA ASN 550 -5.400 7.014 4.351 317 HB2 ASN 550 2HB ASN 550 -4.872 9.793 4.652 318 HB3 ASN 550 1HB ASN 550 -6.576 9.536 5.013 319 HD21 ASN 550 1HD2 ASN 550 -7.110 8.764 6.943 320 HD22 ASN 550 2HD2 ASN 550 -6.003 8.132 8.109 321 H GLN 551 H GLN 551 -6.989 5.849 3.424 322 HA GLN 551 HA GLN 551 -9.421 7.295 2.665 323 HB2 GLN 551 2HB GLN 551 -9.186 4.880 1.113 324 HB3 GLN 551 1HB GLN 551 -9.447 6.527 0.568 325 HG2 GLN 551 2HG GLN 551 -7.459 6.416 -0.398 326 HG3 GLN 551 1HG GLN 551 -6.744 6.440 1.210 327 HE21 GLN 551 1HE2 GLN 551 -6.638 4.259 2.283 328 HE22 GLN 551 2HE2 GLN 551 -6.170 2.922 1.298 329 H ASP 552 H ASP 552 -8.555 3.892 2.670 330 HA ASP 552 HA ASP 552 -9.424 2.077 3.725 331 HB2 ASP 552 2HB ASP 552 -8.609 3.432 5.717 332 HB3 ASP 552 1HB ASP 552 -10.277 3.957 5.927 333 H GLY 553 H GLY 553 -11.173 4.007 2.113 334 HA2 GLY 553 2HA GLY 553 -13.753 2.867 2.992 335 HA3 GLY 553 1HA GLY 553 -13.620 4.512 2.382 336 H LEU 554 H LEU 554 -11.706 3.875 0.347 337 HA LEU 554 HA LEU 554 -13.520 2.854 -1.679 338 HB2 LEU 554 2HB LEU 554 -11.732 3.578 -3.234 339 HB3 LEU 554 1HB LEU 554 -12.329 4.863 -2.203 340 HG LEU 554 HG LEU 554 -10.176 3.892 -0.770 341 HD11 LEU 554 1HD1 LEU 554 -9.744 2.635 -3.037 342 HD12 LEU 554 2HD1 LEU 554 -8.421 3.354 -2.118 343 HD13 LEU 554 3HD1 LEU 554 -9.086 4.199 -3.516 344 HD21 LEU 554 3HD2 LEU 554 -10.863 6.248 -1.198 345 HD22 LEU 554 1HD2 LEU 554 -10.096 6.133 -2.782 346 HD23 LEU 554 2HD2 LEU 554 -9.126 5.969 -1.318 347 H ILE 555 H ILE 555 -11.618 1.364 0.431 348 HA ILE 555 HA ILE 555 -11.054 -0.858 -1.371 349 HB ILE 555 HB ILE 555 -8.810 -1.161 -0.318 350 HG12 ILE 555 2HG1 ILE 555 -9.177 0.247 1.676 351 HG13 ILE 555 1HG1 ILE 555 -7.746 0.728 0.790 352 HG21 ILE 555 1HG2 ILE 555 -7.845 -0.099 -2.029 353 HG22 ILE 555 2HG2 ILE 555 -8.538 1.463 -1.581 354 HG23 ILE 555 3HG2 ILE 555 -9.502 0.298 -2.491 355 HD11 ILE 555 3HD1 ILE 555 -10.167 2.222 1.363 356 HD12 ILE 555 1HD1 ILE 555 -9.627 2.334 -0.310 357 HD13 ILE 555 2HD1 ILE 555 -8.537 2.783 0.999 358 H CYS 556 H CYS 556 -11.057 0.374 1.945 359 HA CYS 556 HA CYS 556 -11.587 -2.341 2.897 360 HB2 CYS 556 2HB CYS 556 -9.618 -0.897 3.770 361 HB3 CYS 556 1HB CYS 556 -10.855 -0.025 4.666 362 H GLY 557 H GLY 557 -13.743 -2.631 2.818 363 HA2 GLY 557 2HA GLY 557 -15.364 -0.951 4.570 364 HA3 GLY 557 1HA GLY 557 -15.858 -1.044 2.887 365 H LEU 558 H LEU 558 -15.943 -3.421 2.065 366 HA LEU 558 HA LEU 558 -16.961 -5.202 4.147 367 HB2 LEU 558 2HB LEU 558 -18.952 -5.740 2.876 368 HB3 LEU 558 1HB LEU 558 -18.910 -4.030 3.254 369 HG LEU 558 HG LEU 558 -18.150 -5.198 0.574 370 HD11 LEU 558 1HD1 LEU 558 -20.596 -3.574 0.928 371 HD12 LEU 558 2HD1 LEU 558 -20.644 -5.238 1.514 372 HD13 LEU 558 3HD1 LEU 558 -20.266 -4.908 -0.177 373 HD21 LEU 558 3HD2 LEU 558 -17.191 -3.198 0.320 374 HD22 LEU 558 1HD2 LEU 558 -17.953 -2.547 1.770 375 HD23 LEU 558 2HD2 LEU 558 -18.831 -2.559 0.241 376 H ARG 559 H ARG 559 -16.214 -4.887 0.674 377 HA ARG 559 HA ARG 559 -14.352 -6.949 0.610 378 HB2 ARG 559 2HB ARG 559 -15.558 -8.785 -0.406 379 HB3 ARG 559 1HB ARG 559 -16.310 -8.386 1.133 380 HG2 ARG 559 2HG ARG 559 -17.466 -6.917 -1.087 381 HG3 ARG 559 1HG ARG 559 -17.595 -8.669 -1.285 382 HD2 ARG 559 2HD ARG 559 -18.245 -8.115 1.398 383 HD3 ARG 559 1HD ARG 559 -19.090 -6.914 0.423 384 HE ARG 559 HE ARG 559 -19.639 -9.207 -0.872 385 HH11 ARG 559 1HH1 ARG 559 -19.889 -8.293 2.488 386 HH12 ARG 559 2HH1 ARG 559 -21.224 -9.350 2.804 387 HH21 ARG 559 1HH2 ARG 559 -21.395 -10.595 -0.457 388 HH22 ARG 559 2HH2 ARG 559 -22.079 -10.655 1.132 389 H GLN 560 H GLN 560 -14.723 -4.413 -0.503 390 HA GLN 560 HA GLN 560 -15.049 -4.931 -3.369 391 HB2 GLN 560 2HB GLN 560 -15.396 -2.622 -3.681 392 HB3 GLN 560 1HB GLN 560 -16.276 -3.028 -2.216 393 HG2 GLN 560 2HG GLN 560 -13.615 -2.238 -1.531 394 HG3 GLN 560 1HG GLN 560 -14.339 -1.025 -2.585 395 HE21 GLN 560 1HE2 GLN 560 -14.698 -2.784 0.419 396 HE22 GLN 560 2HE2 GLN 560 -15.762 -1.654 1.174 Start of MODEL 6 1 H1 ALA 507 1HT ALA 507 -9.991 -10.653 -7.291 2 H2 ALA 507 2HT ALA 507 -9.828 -12.312 -6.882 3 H3 ALA 507 3HT ALA 507 -10.209 -11.159 -5.668 4 HA ALA 507 HA ALA 507 -11.933 -11.575 -7.993 5 HB1 ALA 507 1HB ALA 507 -13.223 -12.967 -6.117 6 HB2 ALA 507 2HB ALA 507 -11.564 -13.314 -5.629 7 HB3 ALA 507 3HB ALA 507 -12.104 -13.712 -7.259 8 H GLN 508 H GLN 508 -11.806 -11.006 -4.472 9 HA GLN 508 HA GLN 508 -12.991 -8.458 -4.609 10 HB2 GLN 508 2HB GLN 508 -15.188 -9.088 -3.510 11 HB3 GLN 508 1HB GLN 508 -15.042 -9.478 -5.218 12 HG2 GLN 508 2HG GLN 508 -15.798 -11.486 -4.619 13 HG3 GLN 508 1HG GLN 508 -14.150 -11.770 -4.062 14 HE21 GLN 508 1HE2 GLN 508 -17.354 -10.733 -3.055 15 HE22 GLN 508 2HE2 GLN 508 -17.177 -11.173 -1.394 16 HA PRO 509 HA PRO 509 -11.076 -9.979 -0.575 17 HB2 PRO 509 2HB PRO 509 -8.854 -8.431 -0.639 18 HB3 PRO 509 1HB PRO 509 -8.922 -10.032 -1.383 19 HG2 PRO 509 2HG PRO 509 -9.201 -7.339 -2.659 20 HG3 PRO 509 1HG PRO 509 -8.292 -8.753 -3.221 21 HD2 PRO 509 2HD PRO 509 -10.734 -8.095 -4.202 22 HD3 PRO 509 1HD PRO 509 -10.170 -9.774 -4.081 23 H LYS 510 H LYS 510 -10.571 -8.630 1.335 24 HA LYS 510 HA LYS 510 -12.025 -6.073 1.217 25 HB2 LYS 510 2HB LYS 510 -11.738 -8.129 3.393 26 HB3 LYS 510 1HB LYS 510 -12.222 -6.480 3.759 27 HG2 LYS 510 2HG LYS 510 -14.230 -6.682 2.588 28 HG3 LYS 510 1HG LYS 510 -13.679 -8.111 1.713 29 HD2 LYS 510 2HD LYS 510 -13.492 -8.985 4.267 30 HD3 LYS 510 1HD LYS 510 -14.851 -7.867 4.405 31 HE2 LYS 510 2HE LYS 510 -15.121 -9.475 2.037 32 HE3 LYS 510 1HE LYS 510 -14.884 -10.507 3.446 33 HZ1 LYS 510 3HZ LYS 510 -16.951 -8.392 3.166 34 HZ2 LYS 510 1HZ LYS 510 -16.714 -9.350 4.541 35 HZ3 LYS 510 2HZ LYS 510 -17.219 -10.060 3.091 36 H CYS 511 H CYS 511 -10.921 -4.264 1.589 37 HA CYS 511 HA CYS 511 -9.251 -2.829 2.162 38 HB2 CYS 511 2HB CYS 511 -9.637 -4.537 4.398 39 HB3 CYS 511 1HB CYS 511 -7.902 -4.296 4.222 40 H ASN 512 H ASN 512 -7.702 -2.629 0.685 41 HA ASN 512 HA ASN 512 -5.819 -4.839 0.308 42 HB2 ASN 512 2HB ASN 512 -6.242 -2.503 -1.553 43 HB3 ASN 512 1HB ASN 512 -5.325 -3.966 -1.873 44 HD21 ASN 512 1HD2 ASN 512 -8.587 -2.911 -0.968 45 HD22 ASN 512 2HD2 ASN 512 -9.414 -4.099 -1.904 46 HA PRO 513 HA PRO 513 -2.900 -1.247 1.169 47 HB2 PRO 513 2HB PRO 513 -3.776 1.289 0.775 48 HB3 PRO 513 1HB PRO 513 -3.305 0.219 -0.549 49 HG2 PRO 513 2HG PRO 513 -5.939 1.227 0.064 50 HG3 PRO 513 1HG PRO 513 -5.444 0.207 -1.295 51 HD2 PRO 513 2HD PRO 513 -6.634 -0.571 1.309 52 HD3 PRO 513 1HD PRO 513 -6.725 -1.381 -0.267 53 H ASN 514 H ASN 514 -5.512 -1.658 2.993 54 HA ASN 514 HA ASN 514 -4.622 0.266 5.033 55 HB2 ASN 514 2HB ASN 514 -7.365 -0.352 4.049 56 HB3 ASN 514 1HB ASN 514 -7.172 -0.059 5.775 57 HD21 ASN 514 1HD2 ASN 514 -7.260 1.328 2.638 58 HD22 ASN 514 2HD2 ASN 514 -7.056 2.973 3.116 59 H LEU 515 H LEU 515 -3.323 -1.918 5.142 60 HA LEU 515 HA LEU 515 -4.682 -3.646 7.100 61 HB2 LEU 515 2HB LEU 515 -2.325 -4.784 5.783 62 HB3 LEU 515 1HB LEU 515 -3.879 -5.510 6.129 63 HG LEU 515 HG LEU 515 -3.561 -5.549 3.772 64 HD11 LEU 515 1HD1 LEU 515 -5.746 -5.174 3.716 65 HD12 LEU 515 2HD1 LEU 515 -5.353 -3.513 3.282 66 HD13 LEU 515 3HD1 LEU 515 -5.651 -3.938 4.966 67 HD21 LEU 515 3HD2 LEU 515 -2.143 -3.169 4.174 68 HD22 LEU 515 1HD2 LEU 515 -3.510 -2.745 3.141 69 HD23 LEU 515 2HD2 LEU 515 -2.397 -4.026 2.654 70 H HIS 516 H HIS 516 -1.434 -2.567 6.079 71 HA HIS 516 HA HIS 516 -0.702 -1.648 8.634 72 HB2 HIS 516 2HB HIS 516 0.517 -3.352 9.586 73 HB3 HIS 516 1HB HIS 516 -0.765 -4.274 8.803 74 HD1 HIS 516 1HD HIS 516 -0.124 -5.683 6.750 75 HD2 HIS 516 2HD HIS 516 3.026 -3.568 8.419 76 HE1 HIS 516 1HE HIS 516 1.925 -6.505 5.565 77 HE2 HIS 516 2HE HIS 516 3.831 -5.192 6.564 78 H TYR 517 H TYR 517 0.790 -3.307 5.839 79 HA TYR 517 HA TYR 517 3.207 -1.959 5.793 80 HB2 TYR 517 2HB TYR 517 2.340 -2.328 3.073 81 HB3 TYR 517 1HB TYR 517 3.636 -3.123 3.938 82 HD1 TYR 517 2HD TYR 517 -0.112 -3.422 4.321 83 HD2 TYR 517 1HD TYR 517 3.569 -5.320 3.330 84 HE1 TYR 517 2HE TYR 517 -1.286 -5.559 4.072 85 HE2 TYR 517 1HE TYR 517 2.393 -7.460 3.059 86 HH TYR 517 HH TYR 517 -0.390 -7.972 2.475 87 H TRP 518 H TRP 518 0.174 -0.608 5.259 88 HA TRP 518 HA TRP 518 1.375 1.666 3.837 89 HB2 TRP 518 2HB TRP 518 -1.546 1.021 3.662 90 HB3 TRP 518 1HB TRP 518 -0.538 1.856 2.505 91 HD1 TRP 518 HD TRP 518 0.016 -1.697 3.895 92 HE1 TRP 518 1HE TRP 518 0.081 -3.304 1.947 93 HE3 TRP 518 3HE TRP 518 -1.101 1.568 0.135 94 HZ2 TRP 518 2HZ TRP 518 -0.326 -3.258 -0.851 95 HZ3 TRP 518 3HZ TRP 518 -1.257 0.697 -2.161 96 HH2 TRP 518 HH TRP 518 -0.874 -1.668 -2.645 97 H THR 519 H THR 519 -1.233 0.635 5.945 98 HA THR 519 HA THR 519 -2.011 3.153 6.894 99 HB THR 519 HB THR 519 -3.315 1.059 7.170 100 HG1 THR 519 1HG THR 519 -3.987 1.539 9.313 101 HG21 THR 519 3HG2 THR 519 -0.955 0.199 8.569 102 HG22 THR 519 1HG2 THR 519 -2.357 -0.733 8.042 103 HG23 THR 519 2HG2 THR 519 -2.382 0.084 9.604 104 H THR 520 H THR 520 0.721 1.199 7.683 105 HA THR 520 HA THR 520 1.207 2.533 10.202 106 HB THR 520 HB THR 520 1.835 0.058 9.382 107 HG1 THR 520 1HG THR 520 2.016 0.739 11.498 108 HG21 THR 520 3HG2 THR 520 4.366 1.621 8.912 109 HG22 THR 520 1HG2 THR 520 3.515 0.590 7.761 110 HG23 THR 520 2HG2 THR 520 4.293 -0.121 9.173 111 H GLN 521 H GLN 521 2.992 2.277 7.123 112 HA GLN 521 HA GLN 521 4.436 4.702 7.871 113 HB2 GLN 521 2HB GLN 521 6.135 4.066 6.376 114 HB3 GLN 521 1HB GLN 521 5.648 2.580 7.179 115 HG2 GLN 521 2HG GLN 521 4.636 1.735 5.284 116 HG3 GLN 521 1HG GLN 521 4.468 3.321 4.546 117 HE21 GLN 521 1HE2 GLN 521 6.617 4.442 4.075 118 HE22 GLN 521 2HE2 GLN 521 7.861 3.445 3.409 119 H ASP 522 H ASP 522 5.202 5.451 5.275 120 HA ASP 522 HA ASP 522 2.704 6.682 4.375 121 HB2 ASP 522 2HB ASP 522 5.559 7.500 4.318 122 HB3 ASP 522 1HB ASP 522 4.465 8.154 3.106 123 H GLU 523 H GLU 523 3.454 4.013 3.614 124 HA GLU 523 HA GLU 523 3.752 2.652 1.794 125 HB2 GLU 523 2HB GLU 523 2.068 4.902 0.719 126 HB3 GLU 523 1HB GLU 523 2.416 3.447 -0.212 127 HG2 GLU 523 2HG GLU 523 0.565 2.657 0.740 128 HG3 GLU 523 1HG GLU 523 1.621 2.389 2.127 129 H GLY 524 H GLY 524 6.015 3.155 1.898 130 HA2 GLY 524 2HA GLY 524 7.896 3.302 0.477 131 HA3 GLY 524 1HA GLY 524 6.942 4.280 -0.634 132 H ALA 525 H ALA 525 5.909 5.886 1.655 133 HA ALA 525 HA ALA 525 6.370 7.912 2.543 134 HB1 ALA 525 1HB ALA 525 7.602 7.631 4.363 135 HB2 ALA 525 2HB ALA 525 9.067 7.420 3.402 136 HB3 ALA 525 3HB ALA 525 8.021 6.039 3.731 137 H ALA 526 H ALA 526 7.660 7.173 -0.253 138 HA ALA 526 HA ALA 526 9.027 8.172 -1.771 139 HB1 ALA 526 1HB ALA 526 8.357 10.288 -2.262 140 HB2 ALA 526 2HB ALA 526 8.507 10.837 -0.592 141 HB3 ALA 526 3HB ALA 526 7.106 9.885 -1.086 142 H ILE 527 H ILE 527 10.060 7.628 1.077 143 HA ILE 527 HA ILE 527 11.959 9.511 1.805 144 HB ILE 527 HB ILE 527 13.230 7.299 2.585 145 HG12 ILE 527 2HG1 ILE 527 11.733 5.478 3.055 146 HG13 ILE 527 1HG1 ILE 527 10.362 6.374 2.414 147 HG21 ILE 527 1HG2 ILE 527 12.631 8.602 4.323 148 HG22 ILE 527 2HG2 ILE 527 11.393 7.362 4.523 149 HG23 ILE 527 3HG2 ILE 527 11.005 8.872 3.697 150 HD11 ILE 527 3HD1 ILE 527 11.009 6.043 0.227 151 HD12 ILE 527 1HD1 ILE 527 11.476 4.525 0.994 152 HD13 ILE 527 2HD1 ILE 527 12.693 5.757 0.664 153 H GLY 528 H GLY 528 11.970 7.347 -0.881 154 HA2 GLY 528 2HA GLY 528 13.902 8.490 -2.359 155 HA3 GLY 528 1HA GLY 528 14.847 7.502 -1.259 156 H LEU 529 H LEU 529 13.030 5.315 -1.114 157 HA LEU 529 HA LEU 529 12.462 3.380 -2.150 158 HB2 LEU 529 2HB LEU 529 12.441 5.182 -4.546 159 HB3 LEU 529 1HB LEU 529 12.129 3.465 -4.681 160 HG LEU 529 HG LEU 529 10.138 3.624 -3.392 161 HD11 LEU 529 1HD1 LEU 529 11.185 6.325 -2.646 162 HD12 LEU 529 2HD1 LEU 529 10.608 5.023 -1.605 163 HD13 LEU 529 3HD1 LEU 529 9.460 5.970 -2.552 164 HD21 LEU 529 3HD2 LEU 529 9.058 5.731 -4.615 165 HD22 LEU 529 1HD2 LEU 529 9.430 4.228 -5.459 166 HD23 LEU 529 2HD2 LEU 529 10.539 5.595 -5.563 167 H ALA 530 H ALA 530 15.111 5.122 -3.674 168 HA ALA 530 HA ALA 530 16.257 2.715 -4.707 169 HB1 ALA 530 1HB ALA 530 17.622 5.385 -4.448 170 HB2 ALA 530 2HB ALA 530 16.528 4.967 -5.767 171 HB3 ALA 530 3HB ALA 530 18.029 4.067 -5.548 172 H TRP 531 H TRP 531 16.504 4.481 -1.769 173 HA TRP 531 HA TRP 531 18.968 3.941 -0.759 174 HB2 TRP 531 2HB TRP 531 17.838 3.833 1.499 175 HB3 TRP 531 1HB TRP 531 17.427 5.239 0.528 176 HD1 TRP 531 HD TRP 531 15.087 4.575 -1.111 177 HE1 TRP 531 1HE TRP 531 12.871 3.748 -0.177 178 HE3 TRP 531 3HE TRP 531 16.723 2.800 3.387 179 HZ2 TRP 531 2HZ TRP 531 11.894 2.513 2.172 180 HZ3 TRP 531 3HZ TRP 531 15.077 1.812 4.930 181 HH2 TRP 531 HH TRP 531 12.713 1.673 4.333 182 H ILE 532 H ILE 532 16.401 1.654 -1.329 183 HA ILE 532 HA ILE 532 18.003 -0.446 -0.055 184 HB ILE 532 HB ILE 532 15.944 -1.717 0.128 185 HG12 ILE 532 2HG1 ILE 532 14.968 -0.279 -1.916 186 HG13 ILE 532 1HG1 ILE 532 13.939 -1.130 -0.770 187 HG21 ILE 532 1HG2 ILE 532 16.094 1.031 1.280 188 HG22 ILE 532 2HG2 ILE 532 16.386 -0.525 2.063 189 HG23 ILE 532 3HG2 ILE 532 14.738 -0.026 1.680 190 HD11 ILE 532 3HD1 ILE 532 13.315 0.809 0.304 191 HD12 ILE 532 1HD1 ILE 532 13.417 1.318 -1.383 192 HD13 ILE 532 2HD1 ILE 532 14.728 1.695 -0.266 193 HA PRO 533 HA PRO 533 18.543 -2.549 -3.852 194 HB2 PRO 533 2HB PRO 533 17.928 -5.151 -2.716 195 HB3 PRO 533 1HB PRO 533 19.494 -4.472 -3.157 196 HG2 PRO 533 2HG PRO 533 18.746 -4.926 -0.586 197 HG3 PRO 533 1HG PRO 533 19.872 -3.641 -1.057 198 HD2 PRO 533 2HD PRO 533 16.951 -3.463 -0.415 199 HD3 PRO 533 1HD PRO 533 18.277 -2.374 0.050 200 H TYR 534 H TYR 534 15.651 -3.765 -2.130 201 HA TYR 534 HA TYR 534 14.138 -3.557 -4.589 202 HB2 TYR 534 2HB TYR 534 13.376 -5.956 -4.455 203 HB3 TYR 534 1HB TYR 534 15.039 -5.717 -4.980 204 HD1 TYR 534 1HD TYR 534 12.982 -6.545 -1.992 205 HD2 TYR 534 2HD TYR 534 16.792 -6.795 -3.868 206 HE1 TYR 534 1HE TYR 534 13.751 -8.060 -0.214 207 HE2 TYR 534 2HE TYR 534 17.572 -8.311 -2.096 208 HH TYR 534 HH TYR 534 16.528 -9.911 -0.449 209 H PHE 535 H PHE 535 14.188 -3.057 -1.379 210 HA PHE 535 HA PHE 535 11.611 -4.052 -0.625 211 HB2 PHE 535 2HB PHE 535 12.874 -1.724 0.769 212 HB3 PHE 535 1HB PHE 535 11.955 -3.059 1.441 213 HD1 PHE 535 2HD PHE 535 13.647 -5.204 -0.097 214 HD2 PHE 535 1HD PHE 535 14.613 -1.890 2.389 215 HE1 PHE 535 2HE PHE 535 15.754 -6.302 0.544 216 HE2 PHE 535 1HE PHE 535 16.720 -2.976 3.030 217 HZ PHE 535 HZ PHE 535 17.295 -5.189 2.110 218 H GLY 536 H GLY 536 12.812 -1.206 -2.164 219 HA2 GLY 536 2HA GLY 536 10.168 0.068 -1.973 220 HA3 GLY 536 1HA GLY 536 11.673 0.915 -2.293 221 HA PRO 537 HA PRO 537 11.311 0.469 -6.672 222 HB2 PRO 537 2HB PRO 537 13.487 -1.502 -6.985 223 HB3 PRO 537 1HB PRO 537 13.365 0.144 -7.612 224 HG2 PRO 537 2HG PRO 537 15.044 -0.459 -5.616 225 HG3 PRO 537 1HG PRO 537 14.180 1.090 -5.662 226 HD2 PRO 537 2HD PRO 537 13.578 -1.369 -4.057 227 HD3 PRO 537 1HD PRO 537 13.530 0.334 -3.561 228 H ALA 538 H ALA 538 11.897 -2.681 -5.167 229 HA ALA 538 HA ALA 538 10.305 -4.015 -7.216 230 HB1 ALA 538 1HB ALA 538 11.374 -5.921 -6.668 231 HB2 ALA 538 2HB ALA 538 11.318 -5.582 -4.938 232 HB3 ALA 538 3HB ALA 538 12.545 -4.815 -5.948 233 H ALA 539 H ALA 539 9.736 -2.439 -4.342 234 HA ALA 539 HA ALA 539 8.027 -4.028 -2.876 235 HB1 ALA 539 1HB ALA 539 8.786 -1.365 -2.855 236 HB2 ALA 539 2HB ALA 539 7.729 -2.164 -1.691 237 HB3 ALA 539 3HB ALA 539 7.036 -1.308 -3.068 238 H GLU 540 H GLU 540 6.801 -1.515 -5.071 239 HA GLU 540 HA GLU 540 5.083 -1.459 -6.540 240 HB2 GLU 540 2HB GLU 540 4.962 -4.450 -6.271 241 HB3 GLU 540 1HB GLU 540 4.324 -3.477 -7.586 242 HG2 GLU 540 2HG GLU 540 7.236 -3.404 -6.950 243 HG3 GLU 540 1HG GLU 540 6.565 -4.745 -7.875 244 H GLY 541 H GLY 541 4.448 -3.824 -3.951 245 HA2 GLY 541 2HA GLY 541 1.699 -2.773 -3.806 246 HA3 GLY 541 1HA GLY 541 2.195 -4.365 -3.255 247 H ILE 542 H ILE 542 4.058 -1.492 -2.571 248 HA ILE 542 HA ILE 542 2.956 -1.298 0.122 249 HB ILE 542 HB ILE 542 5.926 -1.413 -0.063 250 HG12 ILE 542 2HG1 ILE 542 5.698 -3.909 0.555 251 HG13 ILE 542 1HG1 ILE 542 4.096 -3.801 -0.168 252 HG21 ILE 542 1HG2 ILE 542 4.429 -2.662 2.146 253 HG22 ILE 542 2HG2 ILE 542 4.227 -0.920 1.962 254 HG23 ILE 542 3HG2 ILE 542 5.837 -1.603 2.182 255 HD11 ILE 542 3HD1 ILE 542 6.727 -3.903 -1.426 256 HD12 ILE 542 1HD1 ILE 542 5.649 -2.680 -2.102 257 HD13 ILE 542 2HD1 ILE 542 5.147 -4.372 -2.053 258 H TYR 543 H TYR 543 5.061 -0.105 -2.412 259 HA TYR 543 HA TYR 543 5.304 2.473 -1.121 260 HB2 TYR 543 2HB TYR 543 7.208 2.690 -2.322 261 HB3 TYR 543 1HB TYR 543 7.072 0.952 -2.487 262 HD1 TYR 543 2HD TYR 543 5.839 0.073 -4.554 263 HD2 TYR 543 1HD TYR 543 7.331 4.038 -4.225 264 HE1 TYR 543 2HE TYR 543 5.797 0.284 -6.997 265 HE2 TYR 543 1HE TYR 543 7.297 4.264 -6.669 266 HH TYR 543 HH TYR 543 5.729 1.994 -8.704 267 H ILE 544 H ILE 544 4.035 0.984 -4.055 268 HA ILE 544 HA ILE 544 2.783 1.790 -5.795 269 HB ILE 544 HB ILE 544 1.121 2.870 -3.525 270 HG12 ILE 544 2HG1 ILE 544 0.045 0.576 -3.613 271 HG13 ILE 544 1HG1 ILE 544 1.431 0.051 -4.561 272 HG21 ILE 544 1HG2 ILE 544 -0.703 2.017 -5.148 273 HG22 ILE 544 2HG2 ILE 544 0.579 2.083 -6.359 274 HG23 ILE 544 3HG2 ILE 544 0.106 3.546 -5.494 275 HD11 ILE 544 3HD1 ILE 544 1.933 1.380 -1.956 276 HD12 ILE 544 1HD1 ILE 544 2.842 0.116 -2.779 277 HD13 ILE 544 2HD1 ILE 544 1.337 -0.279 -1.959 278 H GLU 545 H GLU 545 2.229 4.363 -3.444 279 HA GLU 545 HA GLU 545 2.454 6.617 -3.538 280 HB2 GLU 545 2HB GLU 545 4.310 6.190 -5.872 281 HB3 GLU 545 1HB GLU 545 4.274 7.552 -4.755 282 HG2 GLU 545 2HG GLU 545 4.790 5.873 -2.933 283 HG3 GLU 545 1HG GLU 545 5.158 4.736 -4.228 284 H GLY 546 H GLY 546 0.310 6.801 -4.139 285 HA2 GLY 546 2HA GLY 546 -0.326 8.467 -6.206 286 HA3 GLY 546 1HA GLY 546 -0.525 6.855 -6.879 287 H LEU 547 H LEU 547 -1.256 5.909 -4.087 288 HA LEU 547 HA LEU 547 -3.960 7.077 -3.911 289 HB2 LEU 547 2HB LEU 547 -5.026 5.018 -3.942 290 HB3 LEU 547 1HB LEU 547 -3.809 4.865 -5.194 291 HG LEU 547 HG LEU 547 -3.638 3.731 -2.401 292 HD11 LEU 547 1HD1 LEU 547 -3.547 2.046 -4.833 293 HD12 LEU 547 2HD1 LEU 547 -5.111 2.726 -4.383 294 HD13 LEU 547 3HD1 LEU 547 -4.229 1.709 -3.243 295 HD21 LEU 547 3HD2 LEU 547 -1.605 2.574 -3.432 296 HD22 LEU 547 1HD2 LEU 547 -1.436 4.270 -2.975 297 HD23 LEU 547 2HD2 LEU 547 -1.676 3.832 -4.666 298 H MET 548 H MET 548 -1.168 6.179 -2.326 299 HA MET 548 HA MET 548 -2.179 5.286 0.146 300 HB2 MET 548 2HB MET 548 0.169 6.146 0.955 301 HB3 MET 548 1HB MET 548 0.031 4.720 -0.057 302 HG2 MET 548 2HG MET 548 1.855 6.069 -0.813 303 HG3 MET 548 1HG MET 548 0.586 6.093 -2.026 304 HE1 MET 548 3HE MET 548 -0.192 9.626 -2.590 305 HE2 MET 548 1HE MET 548 -0.626 7.932 -2.821 306 HE3 MET 548 2HE MET 548 0.954 8.517 -3.343 307 H HIS 549 H HIS 549 -3.917 7.054 0.064 308 HA HIS 549 HA HIS 549 -2.969 9.301 1.712 309 HB2 HIS 549 2HB HIS 549 -5.402 9.811 0.133 310 HB3 HIS 549 1HB HIS 549 -4.031 10.860 0.460 311 HD1 HIS 549 1HD HIS 549 -5.635 9.839 -2.326 312 HD2 HIS 549 2HD HIS 549 -1.688 9.330 -1.139 313 HE1 HIS 549 1HE HIS 549 -4.345 9.436 -4.445 314 HE2 HIS 549 2HE HIS 549 -1.941 9.256 -3.713 315 H ASN 550 H ASN 550 -3.775 6.990 2.887 316 HA ASN 550 HA ASN 550 -5.120 6.242 4.567 317 HB2 ASN 550 2HB ASN 550 -5.732 9.080 4.418 318 HB3 ASN 550 1HB ASN 550 -7.126 8.139 4.935 319 HD21 ASN 550 1HD2 ASN 550 -4.402 9.705 5.947 320 HD22 ASN 550 2HD2 ASN 550 -4.214 8.969 7.498 321 H GLN 551 H GLN 551 -7.322 8.135 2.510 322 HA GLN 551 HA GLN 551 -9.305 7.613 1.540 323 HB2 GLN 551 2HB GLN 551 -8.640 4.914 0.712 324 HB3 GLN 551 1HB GLN 551 -8.946 6.341 -0.255 325 HG2 GLN 551 2HG GLN 551 -6.801 5.917 -0.861 326 HG3 GLN 551 1HG GLN 551 -6.516 6.989 0.505 327 HE21 GLN 551 1HE2 GLN 551 -7.441 3.571 0.469 328 HE22 GLN 551 2HE2 GLN 551 -6.053 3.009 1.324 329 H ASP 552 H ASP 552 -8.572 4.292 2.405 330 HA ASP 552 HA ASP 552 -9.701 2.735 3.612 331 HB2 ASP 552 2HB ASP 552 -9.939 5.219 5.186 332 HB3 ASP 552 1HB ASP 552 -11.124 3.975 5.574 333 H GLY 553 H GLY 553 -11.039 4.315 1.374 334 HA2 GLY 553 2HA GLY 553 -13.771 3.375 1.965 335 HA3 GLY 553 1HA GLY 553 -13.509 4.953 1.237 336 H LEU 554 H LEU 554 -11.318 4.088 -0.439 337 HA LEU 554 HA LEU 554 -12.871 2.942 -2.603 338 HB2 LEU 554 2HB LEU 554 -10.906 3.462 -3.963 339 HB3 LEU 554 1HB LEU 554 -11.471 4.854 -3.060 340 HG LEU 554 HG LEU 554 -9.584 3.878 -1.350 341 HD11 LEU 554 1HD1 LEU 554 -7.726 3.042 -2.451 342 HD12 LEU 554 2HD1 LEU 554 -8.293 3.574 -4.034 343 HD13 LEU 554 3HD1 LEU 554 -9.059 2.199 -3.239 344 HD21 LEU 554 3HD2 LEU 554 -9.220 5.815 -3.636 345 HD22 LEU 554 1HD2 LEU 554 -8.127 5.659 -2.261 346 HD23 LEU 554 2HD2 LEU 554 -9.791 6.190 -2.011 347 H ILE 555 H ILE 555 -11.452 1.535 -0.132 348 HA ILE 555 HA ILE 555 -10.700 -0.834 -1.656 349 HB ILE 555 HB ILE 555 -8.710 -1.191 -0.262 350 HG12 ILE 555 2HG1 ILE 555 -9.370 0.120 1.703 351 HG13 ILE 555 1HG1 ILE 555 -7.810 0.632 1.099 352 HG21 ILE 555 1HG2 ILE 555 -7.393 -0.103 -1.705 353 HG22 ILE 555 2HG2 ILE 555 -8.099 1.469 -1.320 354 HG23 ILE 555 3HG2 ILE 555 -8.913 0.390 -2.453 355 HD11 ILE 555 3HD1 ILE 555 -9.399 2.356 -0.199 356 HD12 ILE 555 1HD1 ILE 555 -8.651 2.669 1.365 357 HD13 ILE 555 2HD1 ILE 555 -10.318 2.112 1.286 358 H CYS 556 H CYS 556 -11.284 0.618 1.502 359 HA CYS 556 HA CYS 556 -12.178 -1.977 2.507 360 HB2 CYS 556 2HB CYS 556 -10.407 -0.148 3.585 361 HB3 CYS 556 1HB CYS 556 -11.898 0.172 4.468 362 H GLY 557 H GLY 557 -14.287 -2.006 1.777 363 HA2 GLY 557 2HA GLY 557 -16.065 -0.058 3.087 364 HA3 GLY 557 1HA GLY 557 -16.260 -0.405 1.376 365 H LEU 558 H LEU 558 -16.404 -2.873 0.924 366 HA LEU 558 HA LEU 558 -17.958 -4.197 3.025 367 HB2 LEU 558 2HB LEU 558 -19.670 -4.875 1.477 368 HB3 LEU 558 1HB LEU 558 -19.534 -3.128 1.466 369 HG LEU 558 HG LEU 558 -18.299 -4.913 -0.630 370 HD11 LEU 558 1HD1 LEU 558 -20.950 -4.679 -0.299 371 HD12 LEU 558 2HD1 LEU 558 -20.175 -4.837 -1.875 372 HD13 LEU 558 3HD1 LEU 558 -20.641 -3.245 -1.276 373 HD21 LEU 558 3HD2 LEU 558 -18.145 -2.088 -0.023 374 HD22 LEU 558 1HD2 LEU 558 -18.772 -2.375 -1.646 375 HD23 LEU 558 2HD2 LEU 558 -17.215 -3.048 -1.172 376 H ARG 559 H ARG 559 -16.395 -4.584 -0.154 377 HA ARG 559 HA ARG 559 -14.789 -6.726 0.621 378 HB2 ARG 559 2HB ARG 559 -15.884 -8.633 -0.393 379 HB3 ARG 559 1HB ARG 559 -16.953 -7.923 0.808 380 HG2 ARG 559 2HG ARG 559 -17.352 -6.788 -1.828 381 HG3 ARG 559 1HG ARG 559 -17.601 -8.538 -1.799 382 HD2 ARG 559 2HD ARG 559 -18.876 -6.617 0.142 383 HD3 ARG 559 1HD ARG 559 -19.651 -7.177 -1.339 384 HE ARG 559 HE ARG 559 -18.746 -9.310 0.358 385 HH11 ARG 559 1HH1 ARG 559 -21.360 -7.089 -0.289 386 HH12 ARG 559 2HH1 ARG 559 -22.561 -8.089 0.456 387 HH21 ARG 559 1HH2 ARG 559 -20.325 -10.627 1.338 388 HH22 ARG 559 2HH2 ARG 559 -21.973 -10.098 1.380 389 H GLN 560 H GLN 560 -14.587 -4.409 -0.925 390 HA GLN 560 HA GLN 560 -14.176 -5.418 -3.647 391 HB2 GLN 560 2HB GLN 560 -14.272 -3.201 -4.425 392 HB3 GLN 560 1HB GLN 560 -15.534 -3.309 -3.209 393 HG2 GLN 560 2HG GLN 560 -13.157 -2.477 -1.911 394 HG3 GLN 560 1HG GLN 560 -13.353 -1.498 -3.364 395 HE21 GLN 560 1HE2 GLN 560 -14.980 -2.596 -0.442 396 HE22 GLN 560 2HE2 GLN 560 -16.029 -1.234 -0.297 Start of MODEL 7 1 H1 ALA 507 1HT ALA 507 -11.865 -11.631 -3.770 2 H2 ALA 507 2HT ALA 507 -11.964 -13.344 -3.792 3 H3 ALA 507 3HT ALA 507 -12.351 -12.479 -2.362 4 HA ALA 507 HA ALA 507 -13.799 -12.308 -4.915 5 HB1 ALA 507 1HB ALA 507 -14.985 -13.491 -2.464 6 HB2 ALA 507 2HB ALA 507 -13.847 -14.470 -3.390 7 HB3 ALA 507 3HB ALA 507 -15.305 -13.844 -4.161 8 H GLN 508 H GLN 508 -13.993 -11.733 -1.397 9 HA GLN 508 HA GLN 508 -14.939 -9.037 -1.878 10 HB2 GLN 508 2HB GLN 508 -16.658 -11.188 -0.672 11 HB3 GLN 508 1HB GLN 508 -16.888 -9.500 -0.233 12 HG2 GLN 508 2HG GLN 508 -16.993 -10.560 -3.047 13 HG3 GLN 508 1HG GLN 508 -18.401 -10.288 -2.022 14 HE21 GLN 508 1HE2 GLN 508 -18.913 -8.140 -1.405 15 HE22 GLN 508 2HE2 GLN 508 -18.390 -6.799 -2.360 16 HA PRO 509 HA PRO 509 -12.544 -9.882 2.106 17 HB2 PRO 509 2HB PRO 509 -10.098 -9.027 1.413 18 HB3 PRO 509 1HB PRO 509 -10.634 -10.676 1.071 19 HG2 PRO 509 2HG PRO 509 -10.513 -8.307 -0.755 20 HG3 PRO 509 1HG PRO 509 -10.038 -9.986 -1.069 21 HD2 PRO 509 2HD PRO 509 -12.423 -8.910 -1.869 22 HD3 PRO 509 1HD PRO 509 -12.188 -10.636 -1.525 23 H LYS 510 H LYS 510 -12.445 -8.326 3.632 24 HA LYS 510 HA LYS 510 -12.957 -5.585 2.817 25 HB2 LYS 510 2HB LYS 510 -12.679 -6.545 5.656 26 HB3 LYS 510 1HB LYS 510 -13.594 -5.171 5.050 27 HG2 LYS 510 2HG LYS 510 -14.613 -7.509 3.809 28 HG3 LYS 510 1HG LYS 510 -14.481 -7.820 5.541 29 HD2 LYS 510 2HD LYS 510 -16.103 -6.338 6.058 30 HD3 LYS 510 1HD LYS 510 -15.593 -5.193 4.816 31 HE2 LYS 510 2HE LYS 510 -17.469 -5.820 3.761 32 HE3 LYS 510 1HE LYS 510 -16.541 -7.249 3.307 33 HZ1 LYS 510 3HZ LYS 510 -18.386 -7.000 5.620 34 HZ2 LYS 510 1HZ LYS 510 -17.420 -8.355 5.306 35 HZ3 LYS 510 2HZ LYS 510 -18.640 -7.915 4.220 36 H CYS 511 H CYS 511 -11.474 -4.038 2.724 37 HA CYS 511 HA CYS 511 -9.508 -2.914 2.914 38 HB2 CYS 511 2HB CYS 511 -9.362 -4.497 5.485 39 HB3 CYS 511 1HB CYS 511 -8.233 -3.216 5.056 40 H ASN 512 H ASN 512 -8.303 -3.581 1.243 41 HA ASN 512 HA ASN 512 -6.813 -6.077 1.454 42 HB2 ASN 512 2HB ASN 512 -7.047 -4.327 -0.987 43 HB3 ASN 512 1HB ASN 512 -6.484 -5.990 -0.910 44 HD21 ASN 512 1HD2 ASN 512 -9.332 -3.995 -0.204 45 HD22 ASN 512 2HD2 ASN 512 -10.490 -5.193 -0.650 46 HA PRO 513 HA PRO 513 -3.287 -2.986 0.970 47 HB2 PRO 513 2HB PRO 513 -3.853 -0.479 0.083 48 HB3 PRO 513 1HB PRO 513 -3.700 -1.878 -0.984 49 HG2 PRO 513 2HG PRO 513 -6.071 -0.350 -0.389 50 HG3 PRO 513 1HG PRO 513 -5.888 -1.703 -1.515 51 HD2 PRO 513 2HD PRO 513 -6.878 -1.696 1.271 52 HD3 PRO 513 1HD PRO 513 -7.221 -2.821 -0.055 53 H ASN 514 H ASN 514 -5.599 -2.605 3.106 54 HA ASN 514 HA ASN 514 -4.275 -0.399 4.532 55 HB2 ASN 514 2HB ASN 514 -7.146 -1.026 4.126 56 HB3 ASN 514 1HB ASN 514 -6.690 -0.524 5.753 57 HD21 ASN 514 1HD2 ASN 514 -6.878 0.422 2.397 58 HD22 ASN 514 2HD2 ASN 514 -6.693 2.118 2.666 59 H LEU 515 H LEU 515 -3.083 -2.655 4.742 60 HA LEU 515 HA LEU 515 -4.134 -4.166 7.004 61 HB2 LEU 515 2HB LEU 515 -1.598 -4.906 5.650 62 HB3 LEU 515 1HB LEU 515 -2.849 -5.932 6.314 63 HG LEU 515 HG LEU 515 -2.997 -6.326 4.035 64 HD11 LEU 515 1HD1 LEU 515 -5.097 -5.013 5.272 65 HD12 LEU 515 2HD1 LEU 515 -5.173 -5.963 3.788 66 HD13 LEU 515 3HD1 LEU 515 -4.947 -4.216 3.706 67 HD21 LEU 515 3HD2 LEU 515 -3.235 -3.733 2.852 68 HD22 LEU 515 1HD2 LEU 515 -2.050 -4.997 2.527 69 HD23 LEU 515 2HD2 LEU 515 -1.749 -3.809 3.798 70 H HIS 516 H HIS 516 -1.147 -2.493 6.001 71 HA HIS 516 HA HIS 516 -0.671 -1.425 8.558 72 HB2 HIS 516 2HB HIS 516 0.922 -2.807 9.521 73 HB3 HIS 516 1HB HIS 516 -0.193 -3.975 8.818 74 HD1 HIS 516 1HD HIS 516 0.674 -5.419 6.895 75 HD2 HIS 516 2HD HIS 516 3.367 -2.537 8.173 76 HE1 HIS 516 1HE HIS 516 2.809 -5.916 5.672 77 HE2 HIS 516 2HE HIS 516 4.485 -4.274 6.602 78 H TYR 517 H TYR 517 1.170 -2.731 5.783 79 HA TYR 517 HA TYR 517 3.199 -0.831 5.872 80 HB2 TYR 517 2HB TYR 517 2.968 -1.511 3.153 81 HB3 TYR 517 1HB TYR 517 4.125 -2.102 4.323 82 HD1 TYR 517 2HD TYR 517 0.462 -2.924 4.164 83 HD2 TYR 517 1HD TYR 517 4.465 -4.259 3.593 84 HE1 TYR 517 2HE TYR 517 -0.348 -5.216 3.810 85 HE2 TYR 517 1HE TYR 517 3.654 -6.545 3.216 86 HH TYR 517 HH TYR 517 1.646 -7.706 2.572 87 H TRP 518 H TRP 518 0.012 -0.524 4.582 88 HA TRP 518 HA TRP 518 0.819 2.028 3.351 89 HB2 TRP 518 2HB TRP 518 -1.785 0.855 2.581 90 HB3 TRP 518 1HB TRP 518 -0.597 1.679 1.599 91 HD1 TRP 518 HD TRP 518 0.943 -1.268 3.270 92 HE1 TRP 518 1HE TRP 518 1.157 -3.185 1.649 93 HE3 TRP 518 3HE TRP 518 -1.984 0.562 -0.485 94 HZ2 TRP 518 2HZ TRP 518 0.192 -3.900 -0.911 95 HZ3 TRP 518 3HZ TRP 518 -2.282 -0.813 -2.503 96 HH2 TRP 518 HH TRP 518 -1.211 -2.997 -2.714 97 H THR 519 H THR 519 -1.606 0.392 5.258 98 HA THR 519 HA THR 519 -3.390 2.487 5.694 99 HB THR 519 HB THR 519 -3.935 0.217 6.318 100 HG1 THR 519 1HG THR 519 -5.122 1.452 7.596 101 HG21 THR 519 3HG2 THR 519 -2.894 -1.032 7.979 102 HG22 THR 519 1HG2 THR 519 -2.039 0.366 8.627 103 HG23 THR 519 2HG2 THR 519 -1.556 -0.320 7.075 104 H THR 520 H THR 520 -0.220 1.995 6.927 105 HA THR 520 HA THR 520 -0.644 4.026 9.005 106 HB THR 520 HB THR 520 1.058 1.656 8.784 107 HG1 THR 520 1HG THR 520 0.833 1.738 11.004 108 HG21 THR 520 3HG2 THR 520 2.297 4.232 9.685 109 HG22 THR 520 1HG2 THR 520 2.966 2.993 8.623 110 HG23 THR 520 2HG2 THR 520 2.795 2.676 10.351 111 H GLN 521 H GLN 521 2.053 3.100 6.891 112 HA GLN 521 HA GLN 521 2.740 5.925 6.652 113 HB2 GLN 521 2HB GLN 521 4.940 5.219 6.084 114 HB3 GLN 521 1HB GLN 521 4.420 4.237 7.443 115 HG2 GLN 521 2HG GLN 521 4.298 2.322 6.202 116 HG3 GLN 521 1HG GLN 521 4.020 3.183 4.694 117 HE21 GLN 521 1HE2 GLN 521 6.056 4.918 4.512 118 HE22 GLN 521 2HE2 GLN 521 7.574 4.099 4.472 119 H ASP 522 H ASP 522 4.297 5.706 4.337 120 HA ASP 522 HA ASP 522 2.205 5.798 2.308 121 HB2 ASP 522 2HB ASP 522 4.410 7.387 2.886 122 HB3 ASP 522 1HB ASP 522 4.850 6.531 1.416 123 H GLU 523 H GLU 523 3.109 3.248 3.215 124 HA GLU 523 HA GLU 523 3.689 1.195 2.397 125 HB2 GLU 523 2HB GLU 523 3.696 2.388 -0.362 126 HB3 GLU 523 1HB GLU 523 3.278 0.751 0.121 127 HG2 GLU 523 2HG GLU 523 1.214 1.427 1.005 128 HG3 GLU 523 1HG GLU 523 1.659 3.131 0.950 129 H GLY 524 H GLY 524 5.691 3.440 2.846 130 HA2 GLY 524 2HA GLY 524 8.035 3.083 3.026 131 HA3 GLY 524 1HA GLY 524 7.945 2.018 1.630 132 H ALA 525 H ALA 525 6.390 5.167 1.797 133 HA ALA 525 HA ALA 525 8.305 6.088 -0.232 134 HB1 ALA 525 1HB ALA 525 5.667 7.374 -0.203 135 HB2 ALA 525 2HB ALA 525 5.683 5.676 -0.676 136 HB3 ALA 525 3HB ALA 525 6.663 6.846 -1.559 137 H ALA 526 H ALA 526 7.641 6.553 2.894 138 HA ALA 526 HA ALA 526 7.772 9.427 2.860 139 HB1 ALA 526 1HB ALA 526 6.363 8.968 4.566 140 HB2 ALA 526 2HB ALA 526 7.870 8.858 5.475 141 HB3 ALA 526 3HB ALA 526 7.092 7.393 4.876 142 H ILE 527 H ILE 527 9.989 7.483 2.086 143 HA ILE 527 HA ILE 527 12.070 8.642 3.806 144 HB ILE 527 HB ILE 527 12.933 6.201 2.530 145 HG12 ILE 527 2HG1 ILE 527 11.493 4.739 4.086 146 HG13 ILE 527 1HG1 ILE 527 10.398 6.106 4.163 147 HG21 ILE 527 1HG2 ILE 527 12.925 7.456 5.203 148 HG22 ILE 527 2HG2 ILE 527 14.247 6.724 4.293 149 HG23 ILE 527 3HG2 ILE 527 13.097 5.701 5.153 150 HD11 ILE 527 3HD1 ILE 527 11.088 5.484 1.443 151 HD12 ILE 527 1HD1 ILE 527 9.509 5.581 2.217 152 HD13 ILE 527 2HD1 ILE 527 10.430 4.077 2.277 153 H GLY 528 H GLY 528 11.573 7.127 0.579 154 HA2 GLY 528 2HA GLY 528 12.298 9.043 -1.108 155 HA3 GLY 528 1HA GLY 528 13.864 8.619 -0.437 156 H LEU 529 H LEU 529 12.765 5.764 -0.189 157 HA LEU 529 HA LEU 529 12.688 3.831 -1.393 158 HB2 LEU 529 2HB LEU 529 12.172 5.760 -3.618 159 HB3 LEU 529 1HB LEU 529 12.346 4.044 -3.919 160 HG LEU 529 HG LEU 529 10.413 3.571 -2.527 161 HD11 LEU 529 1HD1 LEU 529 10.357 5.102 -0.819 162 HD12 LEU 529 2HD1 LEU 529 9.082 5.724 -1.868 163 HD13 LEU 529 3HD1 LEU 529 10.681 6.467 -1.887 164 HD21 LEU 529 3HD2 LEU 529 8.697 4.590 -3.906 165 HD22 LEU 529 1HD2 LEU 529 10.072 4.111 -4.902 166 HD23 LEU 529 2HD2 LEU 529 9.843 5.805 -4.472 167 H ALA 530 H ALA 530 14.920 6.298 -2.150 168 HA ALA 530 HA ALA 530 16.594 4.628 -3.765 169 HB1 ALA 530 1HB ALA 530 17.382 7.226 -2.463 170 HB2 ALA 530 2HB ALA 530 16.480 7.128 -3.976 171 HB3 ALA 530 3HB ALA 530 18.110 6.461 -3.876 172 H TRP 531 H TRP 531 16.161 5.184 -0.452 173 HA TRP 531 HA TRP 531 18.725 4.510 0.539 174 HB2 TRP 531 2HB TRP 531 17.520 4.213 2.697 175 HB3 TRP 531 1HB TRP 531 17.107 5.729 1.903 176 HD1 TRP 531 HD TRP 531 14.761 5.452 0.279 177 HE1 TRP 531 1HE TRP 531 12.563 4.393 0.989 178 HE3 TRP 531 3HE TRP 531 16.441 2.653 4.213 179 HZ2 TRP 531 2HZ TRP 531 11.611 2.613 2.971 180 HZ3 TRP 531 3HZ TRP 531 14.813 1.303 5.471 181 HH2 TRP 531 HH TRP 531 12.448 1.283 4.862 182 H ILE 532 H ILE 532 16.267 2.675 -0.903 183 HA ILE 532 HA ILE 532 17.436 0.193 0.128 184 HB ILE 532 HB ILE 532 15.136 -0.787 -0.288 185 HG12 ILE 532 2HG1 ILE 532 14.560 2.141 -0.602 186 HG13 ILE 532 1HG1 ILE 532 13.961 0.791 -1.551 187 HG21 ILE 532 1HG2 ILE 532 16.028 -0.439 1.929 188 HG22 ILE 532 2HG2 ILE 532 14.318 -0.007 1.915 189 HG23 ILE 532 3HG2 ILE 532 15.549 1.258 1.882 190 HD11 ILE 532 3HD1 ILE 532 13.015 0.515 1.120 191 HD12 ILE 532 1HD1 ILE 532 12.102 0.782 -0.363 192 HD13 ILE 532 2HD1 ILE 532 12.697 2.158 0.562 193 HA PRO 533 HA PRO 533 18.015 -0.659 -4.183 194 HB2 PRO 533 2HB PRO 533 19.013 -3.119 -4.008 195 HB3 PRO 533 1HB PRO 533 19.884 -1.733 -3.342 196 HG2 PRO 533 2HG PRO 533 18.244 -3.795 -1.935 197 HG3 PRO 533 1HG PRO 533 19.772 -3.047 -1.437 198 HD2 PRO 533 2HD PRO 533 17.246 -2.292 -0.549 199 HD3 PRO 533 1HD PRO 533 18.708 -1.293 -0.453 200 H TYR 534 H TYR 534 15.872 -2.665 -2.258 201 HA TYR 534 HA TYR 534 14.373 -3.276 -4.673 202 HB2 TYR 534 2HB TYR 534 14.306 -5.682 -4.254 203 HB3 TYR 534 1HB TYR 534 15.956 -5.130 -4.518 204 HD1 TYR 534 2HD TYR 534 13.552 -5.835 -1.752 205 HD2 TYR 534 1HD TYR 534 17.611 -5.766 -3.025 206 HE1 TYR 534 2HE TYR 534 14.230 -6.868 0.374 207 HE2 TYR 534 1HE TYR 534 18.300 -6.799 -0.902 208 HH TYR 534 HH TYR 534 16.163 -7.111 1.771 209 H PHE 535 H PHE 535 14.220 -2.157 -1.645 210 HA PHE 535 HA PHE 535 11.900 -3.607 -0.724 211 HB2 PHE 535 2HB PHE 535 13.277 -1.131 0.294 212 HB3 PHE 535 1HB PHE 535 11.869 -1.839 1.069 213 HD1 PHE 535 2HD PHE 535 15.291 -2.745 -0.080 214 HD2 PHE 535 1HD PHE 535 12.191 -3.347 2.767 215 HE1 PHE 535 2HE PHE 535 16.775 -4.206 1.218 216 HE2 PHE 535 1HE PHE 535 13.669 -4.808 4.075 217 HZ PHE 535 HZ PHE 535 15.968 -5.245 3.302 218 H GLY 536 H GLY 536 12.596 -0.477 -2.181 219 HA2 GLY 536 2HA GLY 536 9.692 0.003 -2.404 220 HA3 GLY 536 1HA GLY 536 10.907 1.272 -2.357 221 HA PRO 537 HA PRO 537 11.519 1.464 -6.716 222 HB2 PRO 537 2HB PRO 537 14.088 -0.038 -6.587 223 HB3 PRO 537 1HB PRO 537 13.740 1.535 -7.313 224 HG2 PRO 537 2HG PRO 537 15.048 1.353 -4.995 225 HG3 PRO 537 1HG PRO 537 13.874 2.648 -5.285 226 HD2 PRO 537 2HD PRO 537 13.614 0.183 -3.637 227 HD3 PRO 537 1HD PRO 537 12.930 1.798 -3.369 228 H ALA 538 H ALA 538 12.509 -1.675 -5.403 229 HA ALA 538 HA ALA 538 11.747 -3.068 -7.828 230 HB1 ALA 538 1HB ALA 538 12.662 -4.167 -5.173 231 HB2 ALA 538 2HB ALA 538 13.703 -3.802 -6.549 232 HB3 ALA 538 3HB ALA 538 12.492 -5.078 -6.673 233 H ALA 539 H ALA 539 10.521 -2.617 -4.558 234 HA ALA 539 HA ALA 539 8.575 -4.517 -4.339 235 HB1 ALA 539 1HB ALA 539 7.271 -2.436 -3.248 236 HB2 ALA 539 2HB ALA 539 8.907 -1.780 -3.313 237 HB3 ALA 539 3HB ALA 539 8.596 -3.289 -2.456 238 H GLU 540 H GLU 540 6.198 -4.300 -4.558 239 HA GLU 540 HA GLU 540 5.274 -2.621 -6.749 240 HB2 GLU 540 2HB GLU 540 5.059 -5.638 -6.804 241 HB3 GLU 540 1HB GLU 540 4.257 -4.549 -7.927 242 HG2 GLU 540 2HG GLU 540 6.702 -3.696 -8.346 243 HG3 GLU 540 1HG GLU 540 7.127 -5.289 -7.722 244 H GLY 541 H GLY 541 4.494 -5.111 -4.366 245 HA2 GLY 541 2HA GLY 541 1.800 -3.936 -4.092 246 HA3 GLY 541 1HA GLY 541 2.212 -5.594 -3.676 247 H ILE 542 H ILE 542 4.418 -3.082 -2.867 248 HA ILE 542 HA ILE 542 3.439 -2.955 -0.110 249 HB ILE 542 HB ILE 542 6.377 -3.208 -0.461 250 HG12 ILE 542 2HG1 ILE 542 6.018 -5.753 -0.148 251 HG13 ILE 542 1HG1 ILE 542 4.416 -5.450 -0.824 252 HG21 ILE 542 1HG2 ILE 542 4.884 -4.663 1.631 253 HG22 ILE 542 2HG2 ILE 542 4.785 -2.903 1.684 254 HG23 ILE 542 3HG2 ILE 542 6.357 -3.699 1.747 255 HD11 ILE 542 3HD1 ILE 542 6.034 -4.149 -2.597 256 HD12 ILE 542 1HD1 ILE 542 5.412 -5.791 -2.795 257 HD13 ILE 542 2HD1 ILE 542 7.026 -5.536 -2.132 258 H TYR 543 H TYR 543 4.995 -1.502 -2.817 259 HA TYR 543 HA TYR 543 5.432 0.923 -1.282 260 HB2 TYR 543 2HB TYR 543 7.484 1.101 -2.175 261 HB3 TYR 543 1HB TYR 543 7.319 -0.606 -2.516 262 HD1 TYR 543 2HD TYR 543 6.016 -1.115 -4.777 263 HD2 TYR 543 1HD TYR 543 8.143 2.467 -3.912 264 HE1 TYR 543 2HE TYR 543 6.236 -0.667 -7.185 265 HE2 TYR 543 1HE TYR 543 8.361 2.932 -6.307 266 HH TYR 543 HH TYR 543 7.612 0.590 -8.711 267 H ILE 544 H ILE 544 3.540 -0.551 -3.513 268 HA ILE 544 HA ILE 544 2.685 0.234 -5.632 269 HB ILE 544 HB ILE 544 1.005 1.578 -3.549 270 HG12 ILE 544 2HG1 ILE 544 0.009 -0.847 -3.412 271 HG13 ILE 544 1HG1 ILE 544 1.624 -1.327 -3.922 272 HG21 ILE 544 1HG2 ILE 544 0.073 1.828 -5.680 273 HG22 ILE 544 2HG2 ILE 544 -0.782 0.449 -4.988 274 HG23 ILE 544 3HG2 ILE 544 0.510 0.188 -6.161 275 HD11 ILE 544 3HD1 ILE 544 0.723 -0.118 -1.370 276 HD12 ILE 544 1HD1 ILE 544 2.353 0.225 -1.934 277 HD13 ILE 544 2HD1 ILE 544 1.848 -1.441 -1.660 278 H GLU 545 H GLU 545 2.949 2.925 -3.314 279 HA GLU 545 HA GLU 545 3.017 5.183 -3.636 280 HB2 GLU 545 2HB GLU 545 4.795 5.835 -5.341 281 HB3 GLU 545 1HB GLU 545 5.302 4.776 -4.035 282 HG2 GLU 545 2HG GLU 545 5.523 2.941 -5.416 283 HG3 GLU 545 1HG GLU 545 4.431 3.612 -6.630 284 H GLY 546 H GLY 546 0.805 5.289 -4.339 285 HA2 GLY 546 2HA GLY 546 0.397 6.875 -6.577 286 HA3 GLY 546 1HA GLY 546 0.072 5.225 -7.082 287 H LEU 547 H LEU 547 -0.907 4.578 -4.310 288 HA LEU 547 HA LEU 547 -3.488 5.999 -4.442 289 HB2 LEU 547 2HB LEU 547 -4.700 4.035 -4.165 290 HB3 LEU 547 1HB LEU 547 -3.455 3.603 -5.321 291 HG LEU 547 HG LEU 547 -3.419 2.943 -2.375 292 HD11 LEU 547 1HD1 LEU 547 -3.746 1.093 -4.726 293 HD12 LEU 547 2HD1 LEU 547 -5.089 1.708 -3.764 294 HD13 LEU 547 3HD1 LEU 547 -3.860 0.690 -3.013 295 HD21 LEU 547 3HD2 LEU 547 -1.524 1.411 -3.220 296 HD22 LEU 547 1HD2 LEU 547 -1.178 3.122 -2.959 297 HD23 LEU 547 2HD2 LEU 547 -1.454 2.517 -4.592 298 H MET 548 H MET 548 -0.871 5.122 -2.519 299 HA MET 548 HA MET 548 -2.143 4.872 -0.011 300 HB2 MET 548 2HB MET 548 0.255 5.631 0.814 301 HB3 MET 548 1HB MET 548 -0.044 4.019 0.195 302 HG2 MET 548 2HG MET 548 1.984 4.754 -0.743 303 HG3 MET 548 1HG MET 548 0.800 4.828 -2.035 304 HE1 MET 548 3HE MET 548 0.493 8.324 -3.051 305 HE2 MET 548 1HE MET 548 -0.028 6.643 -3.134 306 HE3 MET 548 2HE MET 548 1.564 7.102 -3.735 307 H HIS 549 H HIS 549 -3.638 6.684 -0.364 308 HA HIS 549 HA HIS 549 -2.454 9.186 0.641 309 HB2 HIS 549 2HB HIS 549 -4.963 9.272 -0.966 310 HB3 HIS 549 1HB HIS 549 -3.699 10.483 -0.799 311 HD1 HIS 549 1HD HIS 549 -5.060 8.972 -3.428 312 HD2 HIS 549 2HD HIS 549 -1.181 8.740 -1.958 313 HE1 HIS 549 1HE HIS 549 -3.648 8.247 -5.374 314 HE2 HIS 549 2HE HIS 549 -1.288 8.211 -4.488 315 H ASN 550 H ASN 550 -3.693 6.860 2.020 316 HA ASN 550 HA ASN 550 -5.107 6.449 3.751 317 HB2 ASN 550 2HB ASN 550 -5.288 9.467 3.859 318 HB3 ASN 550 1HB ASN 550 -5.797 8.363 5.132 319 HD21 ASN 550 1HD2 ASN 550 -4.185 9.997 6.135 320 HD22 ASN 550 2HD2 ASN 550 -2.554 9.437 6.241 321 H GLN 551 H GLN 551 -6.383 5.794 1.671 322 HA GLN 551 HA GLN 551 -8.793 7.351 1.266 323 HB2 GLN 551 2HB GLN 551 -8.706 4.689 0.039 324 HB3 GLN 551 1HB GLN 551 -9.056 6.249 -0.685 325 HG2 GLN 551 2HG GLN 551 -7.111 6.074 -1.729 326 HG3 GLN 551 1HG GLN 551 -6.335 6.354 -0.173 327 HE21 GLN 551 1HE2 GLN 551 -6.803 4.015 1.142 328 HE22 GLN 551 2HE2 GLN 551 -6.024 2.707 0.332 329 H ASP 552 H ASP 552 -8.327 3.909 1.793 330 HA ASP 552 HA ASP 552 -9.410 2.366 3.041 331 HB2 ASP 552 2HB ASP 552 -10.014 4.814 4.709 332 HB3 ASP 552 1HB ASP 552 -10.477 3.184 5.191 333 H GLY 553 H GLY 553 -10.784 4.045 0.913 334 HA2 GLY 553 2HA GLY 553 -13.556 3.337 1.647 335 HA3 GLY 553 1HA GLY 553 -13.154 4.733 0.657 336 H LEU 554 H LEU 554 -11.064 3.283 -0.791 337 HA LEU 554 HA LEU 554 -12.782 1.997 -2.748 338 HB2 LEU 554 2HB LEU 554 -10.768 2.017 -4.162 339 HB3 LEU 554 1HB LEU 554 -11.191 3.607 -3.560 340 HG LEU 554 HG LEU 554 -9.392 2.712 -1.665 341 HD11 LEU 554 1HD1 LEU 554 -7.601 1.639 -2.670 342 HD12 LEU 554 2HD1 LEU 554 -8.147 2.031 -4.300 343 HD13 LEU 554 3HD1 LEU 554 -8.994 0.804 -3.357 344 HD21 LEU 554 3HD2 LEU 554 -9.304 4.543 -4.002 345 HD22 LEU 554 1HD2 LEU 554 -7.784 4.161 -3.195 346 HD23 LEU 554 2HD2 LEU 554 -9.109 4.886 -2.283 347 H ILE 555 H ILE 555 -11.317 0.954 -0.055 348 HA ILE 555 HA ILE 555 -11.101 -1.781 -1.025 349 HB ILE 555 HB ILE 555 -8.981 -2.120 0.205 350 HG12 ILE 555 2HG1 ILE 555 -9.142 -0.192 1.733 351 HG13 ILE 555 1HG1 ILE 555 -7.626 -0.201 0.857 352 HG21 ILE 555 1HG2 ILE 555 -7.844 -1.799 -1.676 353 HG22 ILE 555 2HG2 ILE 555 -8.104 -0.052 -1.634 354 HG23 ILE 555 3HG2 ILE 555 -9.334 -1.113 -2.321 355 HD11 ILE 555 3HD1 ILE 555 -8.051 1.937 0.482 356 HD12 ILE 555 1HD1 ILE 555 -9.768 1.758 0.844 357 HD13 ILE 555 2HD1 ILE 555 -9.155 1.334 -0.753 358 H CYS 556 H CYS 556 -10.990 0.472 1.675 359 HA CYS 556 HA CYS 556 -11.775 -1.598 3.550 360 HB2 CYS 556 2HB CYS 556 -10.646 1.138 3.716 361 HB3 CYS 556 1HB CYS 556 -11.671 0.637 5.051 362 H GLY 557 H GLY 557 -13.702 -0.896 1.549 363 HA2 GLY 557 2HA GLY 557 -16.085 -0.959 2.574 364 HA3 GLY 557 1HA GLY 557 -15.675 0.678 3.055 365 H LEU 558 H LEU 558 -14.916 -0.966 0.000 366 HA LEU 558 HA LEU 558 -16.250 1.225 -1.399 367 HB2 LEU 558 2HB LEU 558 -14.947 0.739 -3.274 368 HB3 LEU 558 1HB LEU 558 -13.862 0.491 -1.923 369 HG LEU 558 HG LEU 558 -15.294 -1.888 -3.008 370 HD11 LEU 558 1HD1 LEU 558 -14.285 -0.386 -4.889 371 HD12 LEU 558 2HD1 LEU 558 -14.009 -2.129 -4.887 372 HD13 LEU 558 3HD1 LEU 558 -12.754 -1.038 -4.303 373 HD21 LEU 558 3HD2 LEU 558 -13.746 -3.017 -1.865 374 HD22 LEU 558 1HD2 LEU 558 -13.378 -1.481 -1.080 375 HD23 LEU 558 2HD2 LEU 558 -12.436 -2.009 -2.474 376 H ARG 559 H ARG 559 -16.208 -2.290 -1.225 377 HA ARG 559 HA ARG 559 -18.901 -2.741 -1.459 378 HB2 ARG 559 2HB ARG 559 -19.236 -3.402 -3.787 379 HB3 ARG 559 1HB ARG 559 -18.752 -1.714 -3.709 380 HG2 ARG 559 2HG ARG 559 -16.482 -3.501 -3.942 381 HG3 ARG 559 1HG ARG 559 -17.619 -3.673 -5.283 382 HD2 ARG 559 2HD ARG 559 -16.457 -1.062 -4.327 383 HD3 ARG 559 1HD ARG 559 -15.849 -1.990 -5.696 384 HE ARG 559 HE ARG 559 -18.159 -0.299 -5.645 385 HH11 ARG 559 1HH1 ARG 559 -16.726 -3.089 -7.174 386 HH12 ARG 559 2HH1 ARG 559 -17.635 -2.910 -8.637 387 HH21 ARG 559 1HH2 ARG 559 -19.357 -0.062 -7.568 388 HH22 ARG 559 2HH2 ARG 559 -19.130 -1.193 -8.861 389 H GLN 560 H GLN 560 -16.593 -3.748 -0.234 390 HA GLN 560 HA GLN 560 -16.451 -6.487 -1.278 391 HB2 GLN 560 2HB GLN 560 -14.326 -6.571 0.143 392 HB3 GLN 560 1HB GLN 560 -14.288 -5.599 -1.321 393 HG2 GLN 560 2HG GLN 560 -13.220 -4.615 0.762 394 HG3 GLN 560 1HG GLN 560 -14.330 -3.590 -0.143 395 HE21 GLN 560 1HE2 GLN 560 -15.652 -2.473 1.062 396 HE22 GLN 560 2HE2 GLN 560 -16.263 -2.925 2.614 Start of MODEL 8 1 H1 ALA 507 1HT ALA 507 -10.848 -11.046 -6.700 2 H2 ALA 507 2HT ALA 507 -10.512 -12.729 -6.697 3 H3 ALA 507 3HT ALA 507 -10.871 -11.921 -5.227 4 HA ALA 507 HA ALA 507 -12.705 -12.235 -7.505 5 HB1 ALA 507 1HB ALA 507 -12.743 -14.358 -6.715 6 HB2 ALA 507 2HB ALA 507 -13.842 -13.642 -5.537 7 HB3 ALA 507 3HB ALA 507 -12.148 -13.895 -5.122 8 H GLN 508 H GLN 508 -12.417 -11.508 -4.024 9 HA GLN 508 HA GLN 508 -13.852 -9.076 -4.230 10 HB2 GLN 508 2HB GLN 508 -15.878 -9.719 -2.992 11 HB3 GLN 508 1HB GLN 508 -15.772 -10.545 -4.540 12 HG2 GLN 508 2HG GLN 508 -15.441 -12.590 -3.588 13 HG3 GLN 508 1HG GLN 508 -14.690 -11.919 -2.141 14 HE21 GLN 508 1HE2 GLN 508 -16.123 -10.777 -0.642 15 HE22 GLN 508 2HE2 GLN 508 -17.745 -11.340 -0.455 16 HA PRO 509 HA PRO 509 -11.369 -10.051 -0.332 17 HB2 PRO 509 2HB PRO 509 -9.288 -8.384 -0.794 18 HB3 PRO 509 1HB PRO 509 -9.317 -10.052 -1.375 19 HG2 PRO 509 2HG PRO 509 -9.931 -7.521 -2.853 20 HG3 PRO 509 1HG PRO 509 -8.987 -8.925 -3.383 21 HD2 PRO 509 2HD PRO 509 -11.563 -8.522 -4.130 22 HD3 PRO 509 1HD PRO 509 -10.864 -10.141 -3.928 23 H LYS 510 H LYS 510 -10.740 -8.470 1.362 24 HA LYS 510 HA LYS 510 -12.193 -5.921 1.088 25 HB2 LYS 510 2HB LYS 510 -11.998 -7.417 3.690 26 HB3 LYS 510 1HB LYS 510 -13.098 -6.117 3.254 27 HG2 LYS 510 2HG LYS 510 -14.631 -7.602 2.680 28 HG3 LYS 510 1HG LYS 510 -13.544 -8.263 1.457 29 HD2 LYS 510 2HD LYS 510 -12.473 -9.557 3.403 30 HD3 LYS 510 1HD LYS 510 -13.934 -9.139 4.302 31 HE2 LYS 510 2HE LYS 510 -14.387 -11.248 3.389 32 HE3 LYS 510 1HE LYS 510 -15.221 -10.115 2.325 33 HZ1 LYS 510 3HZ LYS 510 -12.596 -10.513 1.386 34 HZ2 LYS 510 1HZ LYS 510 -14.060 -10.886 0.623 35 HZ3 LYS 510 2HZ LYS 510 -13.318 -12.023 1.631 36 H CYS 511 H CYS 511 -11.021 -4.162 1.526 37 HA CYS 511 HA CYS 511 -9.293 -2.825 2.168 38 HB2 CYS 511 2HB CYS 511 -9.971 -4.408 4.414 39 HB3 CYS 511 1HB CYS 511 -8.213 -4.345 4.359 40 H ASN 512 H ASN 512 -7.863 -3.015 0.500 41 HA ASN 512 HA ASN 512 -6.023 -5.269 0.479 42 HB2 ASN 512 2HB ASN 512 -6.280 -3.106 -1.606 43 HB3 ASN 512 1HB ASN 512 -5.427 -4.635 -1.760 44 HD21 ASN 512 1HD2 ASN 512 -8.631 -3.240 -1.247 45 HD22 ASN 512 2HD2 ASN 512 -9.502 -4.521 -2.008 46 HA PRO 513 HA PRO 513 -2.953 -1.752 1.090 47 HB2 PRO 513 2HB PRO 513 -3.688 0.768 0.455 48 HB3 PRO 513 1HB PRO 513 -3.296 -0.446 -0.766 49 HG2 PRO 513 2HG PRO 513 -5.871 0.756 -0.199 50 HG3 PRO 513 1HG PRO 513 -5.429 -0.344 -1.514 51 HD2 PRO 513 2HD PRO 513 -6.682 -0.949 1.096 52 HD3 PRO 513 1HD PRO 513 -6.740 -1.854 -0.429 53 H ASN 514 H ASN 514 -5.573 -1.937 2.906 54 HA ASN 514 HA ASN 514 -4.693 0.161 4.774 55 HB2 ASN 514 2HB ASN 514 -7.403 -0.565 3.815 56 HB3 ASN 514 1HB ASN 514 -7.258 -0.228 5.538 57 HD21 ASN 514 1HD2 ASN 514 -7.285 1.072 2.364 58 HD22 ASN 514 2HD2 ASN 514 -7.155 2.735 2.805 59 H LEU 515 H LEU 515 -3.347 -1.979 5.048 60 HA LEU 515 HA LEU 515 -4.658 -3.601 7.125 61 HB2 LEU 515 2HB LEU 515 -2.230 -4.689 5.875 62 HB3 LEU 515 1HB LEU 515 -3.720 -5.490 6.320 63 HG LEU 515 HG LEU 515 -3.489 -5.698 3.971 64 HD11 LEU 515 1HD1 LEU 515 -5.364 -3.755 3.378 65 HD12 LEU 515 2HD1 LEU 515 -5.609 -4.080 5.092 66 HD13 LEU 515 3HD1 LEU 515 -5.685 -5.398 3.926 67 HD21 LEU 515 3HD2 LEU 515 -2.140 -3.255 4.132 68 HD22 LEU 515 1HD2 LEU 515 -3.553 -2.947 3.122 69 HD23 LEU 515 2HD2 LEU 515 -2.421 -4.230 2.690 70 H HIS 516 H HIS 516 -1.457 -2.407 6.083 71 HA HIS 516 HA HIS 516 -0.802 -1.296 8.573 72 HB2 HIS 516 2HB HIS 516 0.416 -2.883 9.695 73 HB3 HIS 516 1HB HIS 516 -0.773 -3.923 8.915 74 HD1 HIS 516 1HD HIS 516 0.055 -5.476 7.053 75 HD2 HIS 516 2HD HIS 516 2.984 -2.991 8.613 76 HE1 HIS 516 1HE HIS 516 2.199 -6.242 6.001 77 HE2 HIS 516 2HE HIS 516 3.972 -4.720 6.949 78 H TYR 517 H TYR 517 0.856 -3.142 5.999 79 HA TYR 517 HA TYR 517 3.206 -1.708 5.894 80 HB2 TYR 517 2HB TYR 517 2.563 -2.363 3.196 81 HB3 TYR 517 1HB TYR 517 3.731 -3.116 4.257 82 HD1 TYR 517 1HD TYR 517 -0.034 -3.288 4.472 83 HD2 TYR 517 2HD TYR 517 3.617 -5.330 3.668 84 HE1 TYR 517 1HE TYR 517 -1.258 -5.403 4.296 85 HE2 TYR 517 2HE TYR 517 2.392 -7.452 3.499 86 HH TYR 517 HH TYR 517 -0.863 -7.783 4.480 87 H TRP 518 H TRP 518 0.142 -0.552 5.041 88 HA TRP 518 HA TRP 518 1.372 1.635 3.510 89 HB2 TRP 518 2HB TRP 518 -1.511 0.925 3.159 90 HB3 TRP 518 1HB TRP 518 -0.403 1.636 2.013 91 HD1 TRP 518 HD TRP 518 0.304 -1.709 3.743 92 HE1 TRP 518 1HE TRP 518 0.380 -3.521 1.995 93 HE3 TRP 518 3HE TRP 518 -1.205 1.016 -0.302 94 HZ2 TRP 518 2HZ TRP 518 -0.155 -3.833 -0.756 95 HZ3 TRP 518 3HZ TRP 518 -1.404 -0.134 -2.469 96 HH2 TRP 518 HH TRP 518 -0.886 -2.509 -2.692 97 H THR 519 H THR 519 -1.220 0.672 5.660 98 HA THR 519 HA THR 519 -2.124 3.294 6.274 99 HB THR 519 HB THR 519 -3.574 1.369 6.551 100 HG1 THR 519 1HG THR 519 -4.379 1.900 8.536 101 HG21 THR 519 3HG2 THR 519 -2.704 0.217 8.954 102 HG22 THR 519 1HG2 THR 519 -1.308 0.239 7.874 103 HG23 THR 519 2HG2 THR 519 -2.809 -0.534 7.362 104 H THR 520 H THR 520 0.484 1.362 7.445 105 HA THR 520 HA THR 520 0.698 2.763 9.957 106 HB THR 520 HB THR 520 1.461 0.300 9.284 107 HG1 THR 520 1HG THR 520 2.945 1.855 11.119 108 HG21 THR 520 3HG2 THR 520 3.921 0.154 9.241 109 HG22 THR 520 1HG2 THR 520 3.993 1.892 8.950 110 HG23 THR 520 2HG2 THR 520 3.239 0.829 7.762 111 H GLN 521 H GLN 521 2.787 2.531 7.079 112 HA GLN 521 HA GLN 521 4.088 4.996 7.941 113 HB2 GLN 521 2HB GLN 521 5.942 4.386 6.622 114 HB3 GLN 521 1HB GLN 521 5.414 2.904 7.407 115 HG2 GLN 521 2HG GLN 521 4.584 2.008 5.439 116 HG3 GLN 521 1HG GLN 521 4.503 3.576 4.645 117 HE21 GLN 521 1HE2 GLN 521 6.588 4.646 4.173 118 HE22 GLN 521 2HE2 GLN 521 7.937 3.649 3.759 119 H ASP 522 H ASP 522 5.086 5.657 5.345 120 HA ASP 522 HA ASP 522 2.663 6.883 4.250 121 HB2 ASP 522 2HB ASP 522 5.526 7.662 4.353 122 HB3 ASP 522 1HB ASP 522 4.538 8.268 3.030 123 H GLU 523 H GLU 523 3.389 4.180 3.650 124 HA GLU 523 HA GLU 523 3.775 2.732 1.912 125 HB2 GLU 523 2HB GLU 523 1.913 4.808 1.066 126 HB3 GLU 523 1HB GLU 523 2.728 4.037 -0.290 127 HG2 GLU 523 2HG GLU 523 2.014 1.862 0.505 128 HG3 GLU 523 1HG GLU 523 1.228 2.620 1.888 129 H GLY 524 H GLY 524 6.091 3.231 2.143 130 HA2 GLY 524 2HA GLY 524 8.030 3.285 0.801 131 HA3 GLY 524 1HA GLY 524 7.139 4.218 -0.398 132 H ALA 525 H ALA 525 6.033 5.932 1.793 133 HA ALA 525 HA ALA 525 6.494 7.976 2.641 134 HB1 ALA 525 1HB ALA 525 9.225 7.400 3.455 135 HB2 ALA 525 2HB ALA 525 8.053 6.179 3.955 136 HB3 ALA 525 3HB ALA 525 7.826 7.863 4.427 137 H ALA 526 H ALA 526 7.779 7.132 -0.131 138 HA ALA 526 HA ALA 526 9.128 8.080 -1.694 139 HB1 ALA 526 1HB ALA 526 8.609 10.784 -0.604 140 HB2 ALA 526 2HB ALA 526 7.210 9.813 -1.063 141 HB3 ALA 526 3HB ALA 526 8.459 10.179 -2.254 142 H ILE 527 H ILE 527 10.183 7.640 1.166 143 HA ILE 527 HA ILE 527 12.070 9.524 1.859 144 HB ILE 527 HB ILE 527 13.405 7.316 2.569 145 HG12 ILE 527 2HG1 ILE 527 11.955 5.469 3.055 146 HG13 ILE 527 1HG1 ILE 527 10.544 6.361 2.502 147 HG21 ILE 527 1HG2 ILE 527 11.036 7.720 4.236 148 HG22 ILE 527 2HG2 ILE 527 11.910 9.193 3.818 149 HG23 ILE 527 3HG2 ILE 527 12.747 7.873 4.634 150 HD11 ILE 527 3HD1 ILE 527 11.632 4.550 0.995 151 HD12 ILE 527 1HD1 ILE 527 12.782 5.830 0.610 152 HD13 ILE 527 2HD1 ILE 527 11.064 6.061 0.286 153 H GLY 528 H GLY 528 12.105 7.332 -0.818 154 HA2 GLY 528 2HA GLY 528 13.976 8.552 -2.336 155 HA3 GLY 528 1HA GLY 528 14.960 7.574 -1.262 156 H LEU 529 H LEU 529 13.677 5.249 -1.066 157 HA LEU 529 HA LEU 529 13.133 3.281 -2.071 158 HB2 LEU 529 2HB LEU 529 12.596 5.050 -4.435 159 HB3 LEU 529 1HB LEU 529 12.387 3.314 -4.477 160 HG LEU 529 HG LEU 529 10.611 3.400 -2.889 161 HD11 LEU 529 1HD1 LEU 529 9.867 5.555 -1.907 162 HD12 LEU 529 2HD1 LEU 529 11.326 6.305 -2.558 163 HD13 LEU 529 3HD1 LEU 529 11.455 5.026 -1.352 164 HD21 LEU 529 3HD2 LEU 529 9.144 5.252 -4.027 165 HD22 LEU 529 1HD2 LEU 529 9.646 3.820 -4.925 166 HD23 LEU 529 2HD2 LEU 529 10.506 5.344 -5.143 167 H ALA 530 H ALA 530 15.531 5.352 -3.351 168 HA ALA 530 HA ALA 530 16.732 3.338 -5.000 169 HB1 ALA 530 1HB ALA 530 16.927 5.758 -5.514 170 HB2 ALA 530 2HB ALA 530 18.486 4.938 -5.423 171 HB3 ALA 530 3HB ALA 530 17.938 5.944 -4.082 172 H TRP 531 H TRP 531 16.947 4.377 -1.747 173 HA TRP 531 HA TRP 531 19.476 3.410 -1.011 174 HB2 TRP 531 2HB TRP 531 18.561 3.476 1.296 175 HB3 TRP 531 1HB TRP 531 18.186 4.943 0.398 176 HD1 TRP 531 HD TRP 531 15.614 4.654 -0.926 177 HE1 TRP 531 1HE TRP 531 13.447 3.969 0.216 178 HE3 TRP 531 3HE TRP 531 17.564 2.360 3.204 179 HZ2 TRP 531 2HZ TRP 531 12.625 2.646 2.572 180 HZ3 TRP 531 3HZ TRP 531 16.010 1.413 4.862 181 HH2 TRP 531 HH TRP 531 13.592 1.554 4.552 182 H ILE 532 H ILE 532 16.598 1.803 -1.860 183 HA ILE 532 HA ILE 532 17.628 -0.717 -0.790 184 HB ILE 532 HB ILE 532 15.199 -1.404 -0.697 185 HG12 ILE 532 2HG1 ILE 532 14.916 1.545 -1.222 186 HG13 ILE 532 1HG1 ILE 532 14.061 0.212 -1.982 187 HG21 ILE 532 1HG2 ILE 532 16.234 0.786 1.093 188 HG22 ILE 532 2HG2 ILE 532 16.484 -0.951 1.292 189 HG23 ILE 532 3HG2 ILE 532 14.871 -0.265 1.489 190 HD11 ILE 532 3HD1 ILE 532 12.394 0.426 -0.547 191 HD12 ILE 532 1HD1 ILE 532 13.199 1.846 0.115 192 HD13 ILE 532 2HD1 ILE 532 13.489 0.256 0.824 193 HA PRO 533 HA PRO 533 17.377 -1.879 -5.078 194 HB2 PRO 533 2HB PRO 533 18.150 -4.553 -4.488 195 HB3 PRO 533 1HB PRO 533 19.180 -3.224 -5.016 196 HG2 PRO 533 2HG PRO 533 19.269 -4.445 -2.519 197 HG3 PRO 533 1HG PRO 533 19.961 -2.864 -2.919 198 HD2 PRO 533 2HD PRO 533 17.391 -3.524 -1.552 199 HD3 PRO 533 1HD PRO 533 18.510 -2.172 -1.274 200 H TYR 534 H TYR 534 15.561 -3.569 -2.602 201 HA TYR 534 HA TYR 534 13.656 -4.357 -4.667 202 HB2 TYR 534 2HB TYR 534 13.488 -6.659 -3.814 203 HB3 TYR 534 1HB TYR 534 15.084 -6.304 -4.465 204 HD1 TYR 534 1HD TYR 534 13.235 -6.310 -1.220 205 HD2 TYR 534 2HD TYR 534 16.949 -6.874 -3.217 206 HE1 TYR 534 1HE TYR 534 14.251 -7.055 0.892 207 HE2 TYR 534 2HE TYR 534 17.975 -7.620 -1.111 208 HH TYR 534 HH TYR 534 17.350 -7.126 1.519 209 H PHE 535 H PHE 535 14.015 -2.789 -1.863 210 HA PHE 535 HA PHE 535 11.687 -3.866 -0.496 211 HB2 PHE 535 2HB PHE 535 13.440 -1.495 0.133 212 HB3 PHE 535 1HB PHE 535 12.116 -2.042 1.146 213 HD1 PHE 535 2HD PHE 535 15.246 -3.311 -0.424 214 HD2 PHE 535 1HD PHE 535 12.588 -3.443 2.893 215 HE1 PHE 535 2HE PHE 535 16.801 -4.798 0.756 216 HE2 PHE 535 1HE PHE 535 14.139 -4.930 4.081 217 HZ PHE 535 HZ PHE 535 16.251 -5.616 3.013 218 H GLY 536 H GLY 536 12.623 -0.996 -2.302 219 HA2 GLY 536 2HA GLY 536 9.824 -0.072 -2.229 220 HA3 GLY 536 1HA GLY 536 11.213 0.970 -2.486 221 HA PRO 537 HA PRO 537 11.206 0.616 -6.880 222 HB2 PRO 537 2HB PRO 537 13.523 -1.251 -6.914 223 HB3 PRO 537 1HB PRO 537 13.310 0.293 -7.747 224 HG2 PRO 537 2HG PRO 537 14.897 0.090 -5.609 225 HG3 PRO 537 1HG PRO 537 13.902 1.532 -5.880 226 HD2 PRO 537 2HD PRO 537 13.503 -0.723 -3.972 227 HD3 PRO 537 1HD PRO 537 13.132 1.002 -3.775 228 H ALA 538 H ALA 538 11.857 -2.459 -5.273 229 HA ALA 538 HA ALA 538 10.480 -3.941 -7.380 230 HB1 ALA 538 1HB ALA 538 11.287 -5.927 -6.305 231 HB2 ALA 538 2HB ALA 538 11.789 -5.010 -4.884 232 HB3 ALA 538 3HB ALA 538 12.619 -4.778 -6.423 233 H ALA 539 H ALA 539 9.836 -2.551 -4.326 234 HA ALA 539 HA ALA 539 8.018 -4.206 -3.120 235 HB1 ALA 539 1HB ALA 539 8.760 -1.488 -2.928 236 HB2 ALA 539 2HB ALA 539 7.901 -2.472 -1.746 237 HB3 ALA 539 3HB ALA 539 6.998 -1.551 -2.948 238 H GLU 540 H GLU 540 6.756 -1.402 -4.881 239 HA GLU 540 HA GLU 540 5.096 -1.162 -6.408 240 HB2 GLU 540 2HB GLU 540 4.921 -4.160 -6.517 241 HB3 GLU 540 1HB GLU 540 4.312 -3.017 -7.701 242 HG2 GLU 540 2HG GLU 540 6.725 -2.291 -8.007 243 HG3 GLU 540 1HG GLU 540 7.155 -3.739 -7.099 244 H GLY 541 H GLY 541 4.489 -3.752 -4.049 245 HA2 GLY 541 2HA GLY 541 1.735 -2.729 -3.778 246 HA3 GLY 541 1HA GLY 541 2.233 -4.370 -3.392 247 H ILE 542 H ILE 542 4.031 -1.500 -2.491 248 HA ILE 542 HA ILE 542 3.033 -1.577 0.237 249 HB ILE 542 HB ILE 542 5.996 -1.697 -0.038 250 HG12 ILE 542 2HG1 ILE 542 5.801 -4.223 0.362 251 HG13 ILE 542 1HG1 ILE 542 4.157 -4.076 -0.247 252 HG21 ILE 542 1HG2 ILE 542 5.975 -2.170 2.188 253 HG22 ILE 542 2HG2 ILE 542 4.462 -3.072 2.096 254 HG23 ILE 542 3HG2 ILE 542 4.440 -1.309 2.073 255 HD11 ILE 542 3HD1 ILE 542 5.644 -2.781 -2.160 256 HD12 ILE 542 1HD1 ILE 542 5.045 -4.438 -2.253 257 HD13 ILE 542 2HD1 ILE 542 6.682 -4.123 -1.676 258 H TYR 543 H TYR 543 5.114 -0.198 -2.223 259 HA TYR 543 HA TYR 543 5.390 2.264 -0.726 260 HB2 TYR 543 2HB TYR 543 7.318 2.543 -1.865 261 HB3 TYR 543 1HB TYR 543 7.163 0.825 -2.161 262 HD1 TYR 543 2HD TYR 543 5.751 0.218 -4.314 263 HD2 TYR 543 1HD TYR 543 7.724 3.926 -3.665 264 HE1 TYR 543 2HE TYR 543 5.779 0.621 -6.736 265 HE2 TYR 543 1HE TYR 543 7.765 4.340 -6.085 266 HH TYR 543 HH TYR 543 7.110 1.949 -8.371 267 H ILE 544 H ILE 544 4.015 0.992 -3.696 268 HA ILE 544 HA ILE 544 2.793 1.935 -5.389 269 HB ILE 544 HB ILE 544 1.274 3.142 -3.094 270 HG12 ILE 544 2HG1 ILE 544 0.021 0.971 -3.072 271 HG13 ILE 544 1HG1 ILE 544 1.283 0.293 -4.095 272 HG21 ILE 544 1HG2 ILE 544 0.294 3.862 -5.068 273 HG22 ILE 544 2HG2 ILE 544 -0.644 2.425 -4.663 274 HG23 ILE 544 3HG2 ILE 544 0.613 2.340 -5.897 275 HD11 ILE 544 3HD1 ILE 544 2.160 1.590 -1.594 276 HD12 ILE 544 1HD1 ILE 544 2.753 0.134 -2.393 277 HD13 ILE 544 2HD1 ILE 544 1.272 0.074 -1.440 278 H GLU 545 H GLU 545 2.495 4.488 -2.974 279 HA GLU 545 HA GLU 545 2.872 6.723 -3.025 280 HB2 GLU 545 2HB GLU 545 4.674 6.197 -5.385 281 HB3 GLU 545 1HB GLU 545 4.734 7.559 -4.269 282 HG2 GLU 545 2HG GLU 545 5.144 5.834 -2.451 283 HG3 GLU 545 1HG GLU 545 5.460 4.698 -3.760 284 H GLY 546 H GLY 546 0.742 7.100 -3.593 285 HA2 GLY 546 2HA GLY 546 0.164 8.850 -5.565 286 HA3 GLY 546 1HA GLY 546 -0.042 7.297 -6.363 287 H LEU 547 H LEU 547 -0.865 6.290 -3.532 288 HA LEU 547 HA LEU 547 -3.599 7.402 -3.563 289 HB2 LEU 547 2HB LEU 547 -4.602 5.317 -3.521 290 HB3 LEU 547 1HB LEU 547 -3.291 5.099 -4.664 291 HG LEU 547 HG LEU 547 -3.297 4.195 -1.782 292 HD11 LEU 547 1HD1 LEU 547 -4.594 3.014 -3.822 293 HD12 LEU 547 2HD1 LEU 547 -3.868 2.130 -2.480 294 HD13 LEU 547 3HD1 LEU 547 -2.999 2.286 -4.007 295 HD21 LEU 547 3HD2 LEU 547 -1.173 4.384 -3.841 296 HD22 LEU 547 1HD2 LEU 547 -1.208 2.937 -2.834 297 HD23 LEU 547 2HD2 LEU 547 -1.070 4.529 -2.087 298 H MET 548 H MET 548 -0.882 6.579 -1.746 299 HA MET 548 HA MET 548 -2.098 5.985 0.736 300 HB2 MET 548 2HB MET 548 0.256 6.805 1.603 301 HB3 MET 548 1HB MET 548 0.072 5.268 0.783 302 HG2 MET 548 2HG MET 548 2.025 6.308 -0.056 303 HG3 MET 548 1HG MET 548 0.819 6.390 -1.327 304 HE1 MET 548 3HE MET 548 1.328 8.828 -2.796 305 HE2 MET 548 1HE MET 548 0.217 9.947 -2.006 306 HE3 MET 548 2HE MET 548 -0.234 8.255 -2.212 307 H HIS 549 H HIS 549 -3.711 7.771 0.491 308 HA HIS 549 HA HIS 549 -2.658 10.234 1.722 309 HB2 HIS 549 2HB HIS 549 -5.226 10.271 0.203 310 HB3 HIS 549 1HB HIS 549 -4.044 11.553 0.434 311 HD1 HIS 549 1HD HIS 549 -5.365 10.203 -2.287 312 HD2 HIS 549 2HD HIS 549 -1.451 10.033 -0.907 313 HE1 HIS 549 1HE HIS 549 -3.963 9.705 -4.311 314 HE2 HIS 549 2HE HIS 549 -1.585 9.763 -3.476 315 H ASN 550 H ASN 550 -5.615 8.289 1.361 316 HA ASN 550 HA ASN 550 -6.076 7.956 4.096 317 HB2 ASN 550 2HB ASN 550 -6.476 10.398 4.072 318 HB3 ASN 550 1HB ASN 550 -7.736 10.167 2.864 319 HD21 ASN 550 1HD2 ASN 550 -6.785 9.090 6.100 320 HD22 ASN 550 2HD2 ASN 550 -8.390 9.006 6.732 321 H GLN 551 H GLN 551 -7.976 8.742 1.197 322 HA GLN 551 HA GLN 551 -9.972 7.769 0.500 323 HB2 GLN 551 2HB GLN 551 -9.155 5.330 -0.343 324 HB3 GLN 551 1HB GLN 551 -8.835 6.831 -1.190 325 HG2 GLN 551 2HG GLN 551 -6.659 6.495 -1.015 326 HG3 GLN 551 1HG GLN 551 -6.777 6.436 0.739 327 HE21 GLN 551 1HE2 GLN 551 -6.584 4.525 1.767 328 HE22 GLN 551 2HE2 GLN 551 -6.347 3.008 0.977 329 H ASP 552 H ASP 552 -8.702 4.674 1.469 330 HA ASP 552 HA ASP 552 -9.500 3.030 2.818 331 HB2 ASP 552 2HB ASP 552 -10.202 5.510 4.286 332 HB3 ASP 552 1HB ASP 552 -11.050 4.047 4.776 333 H GLY 553 H GLY 553 -11.159 4.392 0.593 334 HA2 GLY 553 2HA GLY 553 -13.682 3.011 1.257 335 HA3 GLY 553 1HA GLY 553 -13.667 4.561 0.427 336 H LEU 554 H LEU 554 -11.280 3.821 -1.126 337 HA LEU 554 HA LEU 554 -12.630 2.516 -3.310 338 HB2 LEU 554 2HB LEU 554 -10.548 2.966 -4.529 339 HB3 LEU 554 1HB LEU 554 -11.183 4.400 -3.746 340 HG LEU 554 HG LEU 554 -9.440 3.440 -1.843 341 HD11 LEU 554 1HD1 LEU 554 -7.586 2.494 -2.748 342 HD12 LEU 554 2HD1 LEU 554 -7.800 3.288 -4.308 343 HD13 LEU 554 3HD1 LEU 554 -8.774 1.877 -3.895 344 HD21 LEU 554 3HD2 LEU 554 -8.795 5.375 -4.070 345 HD22 LEU 554 1HD2 LEU 554 -8.034 5.300 -2.481 346 HD23 LEU 554 2HD2 LEU 554 -9.728 5.766 -2.626 347 H ILE 555 H ILE 555 -11.219 1.319 -0.638 348 HA ILE 555 HA ILE 555 -10.515 -1.193 -1.950 349 HB ILE 555 HB ILE 555 -8.563 -1.464 -0.465 350 HG12 ILE 555 2HG1 ILE 555 -9.227 0.110 1.308 351 HG13 ILE 555 1HG1 ILE 555 -7.622 0.462 0.700 352 HG21 ILE 555 1HG2 ILE 555 -7.408 -0.799 -2.227 353 HG22 ILE 555 2HG2 ILE 555 -7.534 0.872 -1.672 354 HG23 ILE 555 3HG2 ILE 555 -8.759 0.208 -2.754 355 HD11 ILE 555 3HD1 ILE 555 -10.014 2.101 0.681 356 HD12 ILE 555 1HD1 ILE 555 -9.162 2.056 -0.860 357 HD13 ILE 555 2HD1 ILE 555 -8.315 2.558 0.600 358 H CYS 556 H CYS 556 -11.118 0.542 1.063 359 HA CYS 556 HA CYS 556 -12.070 -1.946 2.268 360 HB2 CYS 556 2HB CYS 556 -10.283 -0.133 3.254 361 HB3 CYS 556 1HB CYS 556 -11.782 0.424 3.993 362 H GLY 557 H GLY 557 -14.175 -2.104 1.655 363 HA2 GLY 557 2HA GLY 557 -15.955 0.038 2.612 364 HA3 GLY 557 1HA GLY 557 -16.147 -0.592 0.982 365 H LEU 558 H LEU 558 -16.408 -3.042 0.877 366 HA LEU 558 HA LEU 558 -17.816 -4.091 3.214 367 HB2 LEU 558 2HB LEU 558 -19.682 -4.860 1.877 368 HB3 LEU 558 1HB LEU 558 -19.523 -3.120 1.759 369 HG LEU 558 HG LEU 558 -18.554 -5.057 -0.343 370 HD11 LEU 558 1HD1 LEU 558 -20.534 -4.939 -1.408 371 HD12 LEU 558 2HD1 LEU 558 -20.846 -3.287 -0.874 372 HD13 LEU 558 3HD1 LEU 558 -21.147 -4.639 0.218 373 HD21 LEU 558 3HD2 LEU 558 -18.910 -2.638 -1.539 374 HD22 LEU 558 1HD2 LEU 558 -17.366 -3.249 -0.946 375 HD23 LEU 558 2HD2 LEU 558 -18.326 -2.161 0.055 376 H ARG 559 H ARG 559 -16.619 -4.833 -0.063 377 HA ARG 559 HA ARG 559 -14.985 -6.945 0.714 378 HB2 ARG 559 2HB ARG 559 -16.269 -8.903 0.023 379 HB3 ARG 559 1HB ARG 559 -17.098 -8.063 1.327 380 HG2 ARG 559 2HG ARG 559 -17.898 -7.110 -1.292 381 HG3 ARG 559 1HG ARG 559 -18.200 -8.838 -1.075 382 HD2 ARG 559 2HD ARG 559 -19.110 -6.635 0.777 383 HD3 ARG 559 1HD ARG 559 -20.124 -7.479 -0.393 384 HE ARG 559 HE ARG 559 -18.826 -9.222 1.491 385 HH11 ARG 559 1HH1 ARG 559 -21.623 -7.221 0.897 386 HH12 ARG 559 2HH1 ARG 559 -22.628 -8.078 2.017 387 HH21 ARG 559 1HH2 ARG 559 -20.146 -10.349 2.964 388 HH22 ARG 559 2HH2 ARG 559 -21.790 -9.854 3.191 389 H GLN 560 H GLN 560 -14.956 -4.816 -1.104 390 HA GLN 560 HA GLN 560 -14.947 -6.141 -3.718 391 HB2 GLN 560 2HB GLN 560 -15.159 -4.045 -4.737 392 HB3 GLN 560 1HB GLN 560 -16.198 -3.944 -3.325 393 HG2 GLN 560 2HG GLN 560 -13.438 -3.013 -2.915 394 HG3 GLN 560 1HG GLN 560 -14.401 -2.064 -4.045 395 HE21 GLN 560 1HE2 GLN 560 -14.136 -3.206 -0.761 396 HE22 GLN 560 2HE2 GLN 560 -15.217 -2.053 -0.068 Start of MODEL 9 1 H1 ALA 507 1HT ALA 507 -8.202 -8.709 -5.649 2 H2 ALA 507 2HT ALA 507 -7.550 -10.049 -6.501 3 H3 ALA 507 3HT ALA 507 -8.283 -10.278 -4.966 4 HA ALA 507 HA ALA 507 -9.492 -9.738 -7.562 5 HB1 ALA 507 1HB ALA 507 -11.048 -11.510 -6.711 6 HB2 ALA 507 2HB ALA 507 -9.986 -11.678 -5.312 7 HB3 ALA 507 3HB ALA 507 -9.376 -12.029 -6.930 8 H GLN 508 H GLN 508 -10.820 -10.142 -4.292 9 HA GLN 508 HA GLN 508 -11.973 -7.494 -4.317 10 HB2 GLN 508 2HB GLN 508 -14.309 -8.434 -3.988 11 HB3 GLN 508 1HB GLN 508 -13.664 -8.509 -5.622 12 HG2 GLN 508 2HG GLN 508 -14.370 -10.627 -5.556 13 HG3 GLN 508 1HG GLN 508 -12.880 -10.911 -4.659 14 HE21 GLN 508 1HE2 GLN 508 -16.215 -9.838 -4.092 15 HE22 GLN 508 2HE2 GLN 508 -16.433 -10.727 -2.627 16 HA PRO 509 HA PRO 509 -11.331 -9.515 -0.123 17 HB2 PRO 509 2HB PRO 509 -8.939 -8.574 0.590 18 HB3 PRO 509 1HB PRO 509 -9.081 -9.980 -0.474 19 HG2 PRO 509 2HG PRO 509 -8.490 -7.131 -1.170 20 HG3 PRO 509 1HG PRO 509 -7.753 -8.614 -1.803 21 HD2 PRO 509 2HD PRO 509 -9.749 -7.187 -3.074 22 HD3 PRO 509 1HD PRO 509 -9.403 -8.905 -3.351 23 H LYS 510 H LYS 510 -11.596 -8.486 1.885 24 HA LYS 510 HA LYS 510 -12.648 -5.838 1.778 25 HB2 LYS 510 2HB LYS 510 -11.969 -7.492 4.216 26 HB3 LYS 510 1HB LYS 510 -13.035 -6.095 4.165 27 HG2 LYS 510 2HG LYS 510 -14.697 -7.550 3.930 28 HG3 LYS 510 1HG LYS 510 -14.122 -7.777 2.278 29 HD2 LYS 510 2HD LYS 510 -12.551 -9.542 3.264 30 HD3 LYS 510 1HD LYS 510 -13.560 -9.452 4.708 31 HE2 LYS 510 2HE LYS 510 -15.478 -9.739 2.873 32 HE3 LYS 510 1HE LYS 510 -14.164 -10.556 2.027 33 HZ1 LYS 510 3HZ LYS 510 -15.152 -12.241 3.233 34 HZ2 LYS 510 1HZ LYS 510 -15.436 -11.269 4.588 35 HZ3 LYS 510 2HZ LYS 510 -13.867 -11.796 4.239 36 H CYS 511 H CYS 511 -11.445 -4.061 1.683 37 HA CYS 511 HA CYS 511 -9.778 -2.552 2.031 38 HB2 CYS 511 2HB CYS 511 -9.007 -4.095 4.501 39 HB3 CYS 511 1HB CYS 511 -8.863 -2.367 4.203 40 H ASN 512 H ASN 512 -8.251 -2.738 0.527 41 HA ASN 512 HA ASN 512 -6.489 -5.032 0.507 42 HB2 ASN 512 2HB ASN 512 -6.487 -2.777 -1.485 43 HB3 ASN 512 1HB ASN 512 -5.839 -4.398 -1.684 44 HD21 ASN 512 1HD2 ASN 512 -8.878 -2.670 -1.083 45 HD22 ASN 512 2HD2 ASN 512 -9.876 -3.778 -1.952 46 HA PRO 513 HA PRO 513 -3.296 -1.698 1.404 47 HB2 PRO 513 2HB PRO 513 -3.845 0.858 0.785 48 HB3 PRO 513 1HB PRO 513 -3.515 -0.357 -0.452 49 HG2 PRO 513 2HG PRO 513 -6.020 0.995 0.124 50 HG3 PRO 513 1HG PRO 513 -5.609 -0.044 -1.246 51 HD2 PRO 513 2HD PRO 513 -6.982 -0.732 1.273 52 HD3 PRO 513 1HD PRO 513 -7.006 -1.562 -0.293 53 H ASN 514 H ASN 514 -5.907 -1.924 3.118 54 HA ASN 514 HA ASN 514 -5.193 0.198 5.030 55 HB2 ASN 514 2HB ASN 514 -7.801 -0.705 4.012 56 HB3 ASN 514 1HB ASN 514 -7.725 -0.585 5.769 57 HD21 ASN 514 1HD2 ASN 514 -7.374 1.176 2.758 58 HD22 ASN 514 2HD2 ASN 514 -7.587 2.748 3.437 59 H LEU 515 H LEU 515 -3.673 -1.912 5.114 60 HA LEU 515 HA LEU 515 -4.753 -3.693 7.182 61 HB2 LEU 515 2HB LEU 515 -2.191 -4.355 5.875 62 HB3 LEU 515 1HB LEU 515 -3.511 -5.400 6.351 63 HG LEU 515 HG LEU 515 -3.426 -5.564 4.019 64 HD11 LEU 515 1HD1 LEU 515 -5.447 -3.712 3.509 65 HD12 LEU 515 2HD1 LEU 515 -5.636 -4.153 5.204 66 HD13 LEU 515 3HD1 LEU 515 -5.633 -5.404 3.964 67 HD21 LEU 515 3HD2 LEU 515 -2.268 -3.012 4.135 68 HD22 LEU 515 1HD2 LEU 515 -3.712 -2.848 3.135 69 HD23 LEU 515 2HD2 LEU 515 -2.478 -4.036 2.714 70 H HIS 516 H HIS 516 -1.656 -2.160 6.254 71 HA HIS 516 HA HIS 516 -1.217 -1.014 8.785 72 HB2 HIS 516 2HB HIS 516 0.165 -2.470 9.909 73 HB3 HIS 516 1HB HIS 516 -0.927 -3.605 9.123 74 HD1 HIS 516 1HD HIS 516 0.038 -5.050 7.221 75 HD2 HIS 516 2HD HIS 516 2.763 -2.421 8.911 76 HE1 HIS 516 1HE HIS 516 2.263 -5.685 6.248 77 HE2 HIS 516 2HE HIS 516 3.904 -4.063 7.263 78 H TYR 517 H TYR 517 0.721 -2.615 6.250 79 HA TYR 517 HA TYR 517 2.870 -0.877 6.267 80 HB2 TYR 517 2HB TYR 517 2.629 -1.649 3.579 81 HB3 TYR 517 1HB TYR 517 3.669 -2.334 4.807 82 HD1 TYR 517 1HD TYR 517 -0.066 -2.765 4.670 83 HD2 TYR 517 2HD TYR 517 3.765 -4.517 4.028 84 HE1 TYR 517 1HE TYR 517 -1.121 -4.951 4.336 85 HE2 TYR 517 2HE TYR 517 2.707 -6.709 3.699 86 HH TYR 517 HH TYR 517 -0.237 -7.233 2.929 87 H TRP 518 H TRP 518 -0.267 -0.185 5.138 88 HA TRP 518 HA TRP 518 0.797 2.127 3.650 89 HB2 TRP 518 2HB TRP 518 -1.949 1.092 3.115 90 HB3 TRP 518 1HB TRP 518 -0.843 1.910 2.041 91 HD1 TRP 518 HD TRP 518 0.305 -1.245 3.832 92 HE1 TRP 518 1HE TRP 518 0.592 -3.095 2.140 93 HE3 TRP 518 3HE TRP 518 -1.677 1.093 -0.246 94 HZ2 TRP 518 2HZ TRP 518 0.023 -3.576 -0.578 95 HZ3 TRP 518 3HZ TRP 518 -1.771 -0.149 -2.369 96 HH2 TRP 518 HH TRP 518 -0.931 -2.435 -2.533 97 H THR 519 H THR 519 -1.479 0.972 5.985 98 HA THR 519 HA THR 519 -2.918 3.438 6.253 99 HB THR 519 HB THR 519 -4.080 1.420 6.791 100 HG1 THR 519 1HG THR 519 -4.672 3.064 8.164 101 HG21 THR 519 3HG2 THR 519 -1.618 0.606 7.942 102 HG22 THR 519 1HG2 THR 519 -3.083 -0.340 7.670 103 HG23 THR 519 2HG2 THR 519 -2.870 0.537 9.185 104 H THR 520 H THR 520 0.004 2.162 7.506 105 HA THR 520 HA THR 520 0.026 4.008 9.767 106 HB THR 520 HB THR 520 1.437 1.537 9.061 107 HG1 THR 520 1HG THR 520 1.470 1.386 11.336 108 HG21 THR 520 3HG2 THR 520 3.003 3.825 10.196 109 HG22 THR 520 1HG2 THR 520 3.459 2.691 8.923 110 HG23 THR 520 2HG2 THR 520 3.379 2.151 10.603 111 H GLN 521 H GLN 521 2.430 3.122 7.304 112 HA GLN 521 HA GLN 521 3.378 5.882 7.356 113 HB2 GLN 521 2HB GLN 521 5.452 5.090 6.576 114 HB3 GLN 521 1HB GLN 521 4.919 3.911 7.765 115 HG2 GLN 521 2HG GLN 521 4.501 2.294 6.172 116 HG3 GLN 521 1HG GLN 521 4.376 3.468 4.866 117 HE21 GLN 521 1HE2 GLN 521 6.427 4.724 4.435 118 HE22 GLN 521 2HE2 GLN 521 7.907 3.834 4.471 119 H ASP 522 H ASP 522 4.733 5.697 4.838 120 HA ASP 522 HA ASP 522 2.468 6.281 3.088 121 HB2 ASP 522 2HB ASP 522 4.752 7.671 3.611 122 HB3 ASP 522 1HB ASP 522 5.167 6.847 2.115 123 H GLU 523 H GLU 523 3.181 3.571 3.600 124 HA GLU 523 HA GLU 523 3.522 1.583 2.529 125 HB2 GLU 523 2HB GLU 523 3.015 3.242 0.056 126 HB3 GLU 523 1HB GLU 523 2.906 1.487 0.171 127 HG2 GLU 523 2HG GLU 523 1.113 1.685 1.766 128 HG3 GLU 523 1HG GLU 523 1.231 3.440 1.706 129 H GLY 524 H GLY 524 5.736 3.231 3.112 130 HA2 GLY 524 2HA GLY 524 8.031 2.953 2.835 131 HA3 GLY 524 1HA GLY 524 7.702 1.937 1.439 132 H ALA 525 H ALA 525 6.368 5.155 1.858 133 HA ALA 525 HA ALA 525 8.081 6.027 -0.364 134 HB1 ALA 525 1HB ALA 525 5.257 6.886 0.207 135 HB2 ALA 525 2HB ALA 525 5.762 5.761 -1.052 136 HB3 ALA 525 3HB ALA 525 6.262 7.450 -1.127 137 H ALA 526 H ALA 526 7.744 6.470 2.840 138 HA ALA 526 HA ALA 526 8.047 9.327 2.826 139 HB1 ALA 526 1HB ALA 526 8.370 8.715 5.410 140 HB2 ALA 526 2HB ALA 526 7.467 7.297 4.878 141 HB3 ALA 526 3HB ALA 526 6.788 8.909 4.655 142 H ILE 527 H ILE 527 10.075 7.313 1.790 143 HA ILE 527 HA ILE 527 12.367 8.305 3.337 144 HB ILE 527 HB ILE 527 12.983 5.884 1.889 145 HG12 ILE 527 2HG1 ILE 527 11.630 4.429 3.532 146 HG13 ILE 527 1HG1 ILE 527 10.613 5.839 3.751 147 HG21 ILE 527 1HG2 ILE 527 14.483 6.314 3.536 148 HG22 ILE 527 2HG2 ILE 527 13.404 5.249 4.437 149 HG23 ILE 527 3HG2 ILE 527 13.269 6.998 4.617 150 HD11 ILE 527 3HD1 ILE 527 9.531 5.432 1.872 151 HD12 ILE 527 1HD1 ILE 527 10.367 3.881 1.812 152 HD13 ILE 527 2HD1 ILE 527 11.031 5.273 0.959 153 H GLY 528 H GLY 528 11.469 6.977 0.114 154 HA2 GLY 528 2HA GLY 528 12.139 8.929 -1.551 155 HA3 GLY 528 1HA GLY 528 13.735 8.396 -1.053 156 H LEU 529 H LEU 529 12.463 5.593 -0.839 157 HA LEU 529 HA LEU 529 12.163 3.736 -2.126 158 HB2 LEU 529 2HB LEU 529 11.600 5.833 -4.180 159 HB3 LEU 529 1HB LEU 529 11.678 4.140 -4.624 160 HG LEU 529 HG LEU 529 9.818 3.618 -3.193 161 HD11 LEU 529 1HD1 LEU 529 8.665 5.750 -2.163 162 HD12 LEU 529 2HD1 LEU 529 10.320 6.361 -2.166 163 HD13 LEU 529 3HD1 LEU 529 9.930 4.880 -1.293 164 HD21 LEU 529 3HD2 LEU 529 8.625 6.017 -4.325 165 HD22 LEU 529 1HD2 LEU 529 8.335 4.321 -4.708 166 HD23 LEU 529 2HD2 LEU 529 9.676 5.177 -5.466 167 H ALA 530 H ALA 530 14.444 6.125 -3.079 168 HA ALA 530 HA ALA 530 15.905 4.361 -4.800 169 HB1 ALA 530 1HB ALA 530 16.498 7.102 -3.718 170 HB2 ALA 530 2HB ALA 530 16.067 6.646 -5.367 171 HB3 ALA 530 3HB ALA 530 17.646 6.207 -4.714 172 H TRP 531 H TRP 531 15.871 5.111 -1.472 173 HA TRP 531 HA TRP 531 18.461 4.388 -0.680 174 HB2 TRP 531 2HB TRP 531 17.428 4.097 1.562 175 HB3 TRP 531 1HB TRP 531 16.919 5.595 0.789 176 HD1 TRP 531 HD TRP 531 14.481 5.201 -0.687 177 HE1 TRP 531 1HE TRP 531 12.358 4.116 0.196 178 HE3 TRP 531 3HE TRP 531 16.486 2.593 3.221 179 HZ2 TRP 531 2HZ TRP 531 11.588 2.380 2.303 180 HZ3 TRP 531 3HZ TRP 531 14.982 1.247 4.630 181 HH2 TRP 531 HH TRP 531 12.584 1.144 4.179 182 H ILE 532 H ILE 532 15.871 2.518 -1.859 183 HA ILE 532 HA ILE 532 17.164 0.053 -0.944 184 HB ILE 532 HB ILE 532 14.850 -0.944 -1.072 185 HG12 ILE 532 2HG1 ILE 532 14.207 1.968 -1.435 186 HG13 ILE 532 1HG1 ILE 532 13.556 0.583 -2.293 187 HG21 ILE 532 1HG2 ILE 532 14.224 0.014 1.164 188 HG22 ILE 532 2HG2 ILE 532 15.533 1.177 0.945 189 HG23 ILE 532 3HG2 ILE 532 15.892 -0.547 1.038 190 HD11 ILE 532 3HD1 ILE 532 12.871 0.443 0.491 191 HD12 ILE 532 1HD1 ILE 532 11.824 0.500 -0.924 192 HD13 ILE 532 2HD1 ILE 532 12.396 1.997 -0.195 193 HA PRO 533 HA PRO 533 17.243 -0.830 -5.295 194 HB2 PRO 533 2HB PRO 533 18.433 -3.207 -5.208 195 HB3 PRO 533 1HB PRO 533 19.281 -1.747 -4.686 196 HG2 PRO 533 2HG PRO 533 18.024 -3.897 -3.046 197 HG3 PRO 533 1HG PRO 533 19.513 -2.984 -2.751 198 HD2 PRO 533 2HD PRO 533 17.007 -2.467 -1.609 199 HD3 PRO 533 1HD PRO 533 18.394 -1.362 -1.625 200 H TYR 534 H TYR 534 15.470 -2.855 -3.061 201 HA TYR 534 HA TYR 534 13.787 -3.719 -5.278 202 HB2 TYR 534 2HB TYR 534 13.873 -6.087 -4.594 203 HB3 TYR 534 1HB TYR 534 15.433 -5.490 -5.152 204 HD1 TYR 534 1HD TYR 534 13.489 -5.993 -2.006 205 HD2 TYR 534 2HD TYR 534 17.318 -5.880 -3.859 206 HE1 TYR 534 1HE TYR 534 14.520 -6.755 0.092 207 HE2 TYR 534 2HE TYR 534 18.359 -6.643 -1.765 208 HH TYR 534 HH TYR 534 17.015 -8.127 0.526 209 H PHE 535 H PHE 535 13.838 -2.357 -2.342 210 HA PHE 535 HA PHE 535 11.632 -3.817 -1.153 211 HB2 PHE 535 2HB PHE 535 13.041 -1.283 -0.328 212 HB3 PHE 535 1HB PHE 535 11.743 -2.025 0.592 213 HD1 PHE 535 1HD PHE 535 15.055 -2.879 -0.887 214 HD2 PHE 535 2HD PHE 535 12.303 -3.428 2.310 215 HE1 PHE 535 1HE PHE 535 16.712 -4.245 0.299 216 HE2 PHE 535 2HE PHE 535 13.955 -4.799 3.501 217 HZ PHE 535 HZ PHE 535 16.167 -5.213 2.499 218 H GLY 536 H GLY 536 12.212 -0.731 -2.740 219 HA2 GLY 536 2HA GLY 536 9.300 -0.249 -2.778 220 HA3 GLY 536 1HA GLY 536 10.514 1.019 -2.831 221 HA PRO 537 HA PRO 537 10.860 1.159 -7.225 222 HB2 PRO 537 2HB PRO 537 13.393 -0.413 -7.216 223 HB3 PRO 537 1HB PRO 537 13.039 1.143 -7.974 224 HG2 PRO 537 2HG PRO 537 14.483 0.997 -5.732 225 HG3 PRO 537 1HG PRO 537 13.337 2.322 -6.004 226 HD2 PRO 537 2HD PRO 537 13.114 -0.046 -4.224 227 HD3 PRO 537 1HD PRO 537 12.458 1.590 -4.016 228 H ALA 538 H ALA 538 11.835 -1.971 -5.895 229 HA ALA 538 HA ALA 538 10.860 -3.401 -8.227 230 HB1 ALA 538 1HB ALA 538 11.647 -5.403 -7.083 231 HB2 ALA 538 2HB ALA 538 11.966 -4.460 -5.626 232 HB3 ALA 538 3HB ALA 538 12.897 -4.158 -7.095 233 H ALA 539 H ALA 539 9.845 -2.662 -4.967 234 HA ALA 539 HA ALA 539 7.891 -4.546 -4.490 235 HB1 ALA 539 1HB ALA 539 8.455 -1.830 -3.573 236 HB2 ALA 539 2HB ALA 539 7.997 -3.269 -2.662 237 HB3 ALA 539 3HB ALA 539 6.758 -2.295 -3.453 238 H GLU 540 H GLU 540 5.486 -4.099 -4.463 239 HA GLU 540 HA GLU 540 4.454 -2.523 -6.660 240 HB2 GLU 540 2HB GLU 540 3.934 -5.497 -6.640 241 HB3 GLU 540 1HB GLU 540 3.436 -4.333 -7.860 242 HG2 GLU 540 2HG GLU 540 5.855 -3.937 -8.347 243 HG3 GLU 540 1HG GLU 540 6.226 -5.284 -7.270 244 H GLY 541 H GLY 541 3.848 -4.892 -4.121 245 HA2 GLY 541 2HA GLY 541 1.211 -3.646 -3.652 246 HA3 GLY 541 1HA GLY 541 1.595 -5.317 -3.259 247 H ILE 542 H ILE 542 3.733 -2.614 -2.710 248 HA ILE 542 HA ILE 542 3.105 -2.517 0.130 249 HB ILE 542 HB ILE 542 5.985 -2.896 -0.577 250 HG12 ILE 542 2HG1 ILE 542 5.602 -5.365 0.066 251 HG13 ILE 542 1HG1 ILE 542 3.919 -5.068 -0.368 252 HG21 ILE 542 1HG2 ILE 542 4.398 -3.655 1.874 253 HG22 ILE 542 2HG2 ILE 542 5.272 -2.136 1.670 254 HG23 ILE 542 3HG2 ILE 542 6.153 -3.663 1.702 255 HD11 ILE 542 3HD1 ILE 542 5.341 -4.033 -2.497 256 HD12 ILE 542 1HD1 ILE 542 4.506 -5.589 -2.444 257 HD13 ILE 542 2HD1 ILE 542 6.226 -5.499 -2.061 258 H TYR 543 H TYR 543 4.859 -1.344 -2.671 259 HA TYR 543 HA TYR 543 5.455 1.123 -1.285 260 HB2 TYR 543 2HB TYR 543 7.311 1.246 -2.540 261 HB3 TYR 543 1HB TYR 543 7.042 -0.466 -2.749 262 HD1 TYR 543 2HD TYR 543 5.659 -1.173 -4.813 263 HD2 TYR 543 1HD TYR 543 7.523 2.622 -4.389 264 HE1 TYR 543 2HE TYR 543 5.585 -0.873 -7.246 265 HE2 TYR 543 1HE TYR 543 7.464 2.938 -6.821 266 HH TYR 543 HH TYR 543 6.941 0.496 -8.981 267 H ILE 544 H ILE 544 3.952 -0.092 -4.235 268 HA ILE 544 HA ILE 544 2.646 0.867 -5.833 269 HB ILE 544 HB ILE 544 1.279 2.178 -3.509 270 HG12 ILE 544 2HG1 ILE 544 -0.020 -0.008 -3.395 271 HG13 ILE 544 1HG1 ILE 544 1.299 -0.722 -4.313 272 HG21 ILE 544 1HG2 ILE 544 -0.694 1.259 -5.015 273 HG22 ILE 544 2HG2 ILE 544 0.545 1.364 -6.267 274 HG23 ILE 544 3HG2 ILE 544 0.090 2.802 -5.355 275 HD11 ILE 544 3HD1 ILE 544 2.224 0.762 -1.999 276 HD12 ILE 544 1HD1 ILE 544 2.581 -0.887 -2.508 277 HD13 ILE 544 2HD1 ILE 544 1.124 -0.546 -1.578 278 H GLU 545 H GLU 545 2.600 3.463 -3.428 279 HA GLU 545 HA GLU 545 3.130 5.669 -3.525 280 HB2 GLU 545 2HB GLU 545 4.542 5.236 -6.134 281 HB3 GLU 545 1HB GLU 545 4.912 6.385 -4.854 282 HG2 GLU 545 2HG GLU 545 5.072 3.535 -4.136 283 HG3 GLU 545 1HG GLU 545 6.283 4.129 -5.269 284 H GLY 546 H GLY 546 0.770 4.523 -4.805 285 HA2 GLY 546 2HA GLY 546 0.126 6.827 -6.504 286 HA3 GLY 546 1HA GLY 546 -0.227 5.210 -7.092 287 H LEU 547 H LEU 547 -0.672 5.005 -3.845 288 HA LEU 547 HA LEU 547 -3.415 6.066 -3.923 289 HB2 LEU 547 2HB LEU 547 -4.461 4.080 -3.381 290 HB3 LEU 547 1HB LEU 547 -3.270 3.594 -4.572 291 HG LEU 547 HG LEU 547 -3.017 3.260 -1.582 292 HD11 LEU 547 1HD1 LEU 547 -3.282 1.125 -3.682 293 HD12 LEU 547 2HD1 LEU 547 -4.661 1.783 -2.798 294 HD13 LEU 547 3HD1 LEU 547 -3.371 0.951 -1.928 295 HD21 LEU 547 3HD2 LEU 547 -0.826 3.309 -2.067 296 HD22 LEU 547 1HD2 LEU 547 -1.097 3.073 -3.791 297 HD23 LEU 547 2HD2 LEU 547 -1.111 1.688 -2.701 298 H MET 548 H MET 548 -0.579 5.618 -2.179 299 HA MET 548 HA MET 548 -1.654 5.493 0.443 300 HB2 MET 548 2HB MET 548 0.748 6.520 0.973 301 HB3 MET 548 1HB MET 548 0.518 4.829 0.582 302 HG2 MET 548 2HG MET 548 2.413 5.651 -0.605 303 HG3 MET 548 1HG MET 548 1.131 5.326 -1.766 304 HE1 MET 548 3HE MET 548 0.705 6.453 -3.410 305 HE2 MET 548 1HE MET 548 1.744 7.781 -3.925 306 HE3 MET 548 2HE MET 548 0.103 8.109 -3.372 307 H HIS 549 H HIS 549 -3.294 7.195 -0.152 308 HA HIS 549 HA HIS 549 -2.251 9.853 0.578 309 HB2 HIS 549 2HB HIS 549 -4.873 9.648 -0.803 310 HB3 HIS 549 1HB HIS 549 -3.634 10.888 -0.925 311 HD1 HIS 549 1HD HIS 549 -5.173 9.230 -3.269 312 HD2 HIS 549 2HD HIS 549 -1.228 8.837 -2.025 313 HE1 HIS 549 1HE HIS 549 -3.948 8.231 -5.223 314 HE2 HIS 549 2HE HIS 549 -1.540 8.130 -4.492 315 H ASN 550 H ASN 550 -3.236 7.564 2.235 316 HA ASN 550 HA ASN 550 -4.420 7.278 4.150 317 HB2 ASN 550 2HB ASN 550 -5.135 10.203 3.905 318 HB3 ASN 550 1HB ASN 550 -5.213 9.215 5.360 319 HD21 ASN 550 1HD2 ASN 550 -3.630 11.664 4.375 320 HD22 ASN 550 2HD2 ASN 550 -2.012 11.306 4.863 321 H GLN 551 H GLN 551 -5.726 6.108 2.370 322 HA GLN 551 HA GLN 551 -8.452 7.215 2.293 323 HB2 GLN 551 2HB GLN 551 -8.491 5.139 0.489 324 HB3 GLN 551 1HB GLN 551 -8.304 6.837 0.088 325 HG2 GLN 551 2HG GLN 551 -6.552 5.980 -1.053 326 HG3 GLN 551 1HG GLN 551 -5.754 6.293 0.484 327 HE21 GLN 551 1HE2 GLN 551 -6.188 4.326 2.070 328 HE22 GLN 551 2HE2 GLN 551 -5.783 2.789 1.401 329 H ASP 552 H ASP 552 -10.024 5.178 1.863 330 HA ASP 552 HA ASP 552 -9.562 2.773 3.193 331 HB2 ASP 552 2HB ASP 552 -10.727 3.099 5.306 332 HB3 ASP 552 1HB ASP 552 -9.366 4.208 5.193 333 H GLY 553 H GLY 553 -11.699 5.157 1.942 334 HA2 GLY 553 2HA GLY 553 -14.042 3.454 2.055 335 HA3 GLY 553 1HA GLY 553 -13.949 5.056 1.338 336 H LEU 554 H LEU 554 -11.540 4.269 -0.211 337 HA LEU 554 HA LEU 554 -12.960 3.155 -2.475 338 HB2 LEU 554 2HB LEU 554 -10.811 3.606 -3.669 339 HB3 LEU 554 1HB LEU 554 -11.573 5.014 -2.954 340 HG LEU 554 HG LEU 554 -9.775 4.004 -1.016 341 HD11 LEU 554 1HD1 LEU 554 -8.047 4.615 -3.292 342 HD12 LEU 554 2HD1 LEU 554 -8.898 3.076 -3.427 343 HD13 LEU 554 3HD1 LEU 554 -7.878 3.398 -2.027 344 HD21 LEU 554 3HD2 LEU 554 -10.147 6.435 -2.651 345 HD22 LEU 554 1HD2 LEU 554 -8.548 6.202 -1.944 346 HD23 LEU 554 2HD2 LEU 554 -9.971 6.253 -0.905 347 H ILE 555 H ILE 555 -11.424 1.788 0.087 348 HA ILE 555 HA ILE 555 -10.898 -0.659 -1.410 349 HB ILE 555 HB ILE 555 -8.802 -1.024 -0.113 350 HG12 ILE 555 2HG1 ILE 555 -9.263 0.661 1.657 351 HG13 ILE 555 1HG1 ILE 555 -7.683 0.847 0.931 352 HG21 ILE 555 1HG2 ILE 555 -8.313 1.430 -1.696 353 HG22 ILE 555 2HG2 ILE 555 -9.098 0.070 -2.504 354 HG23 ILE 555 3HG2 ILE 555 -7.514 -0.145 -1.756 355 HD11 ILE 555 3HD1 ILE 555 -9.155 2.498 -0.605 356 HD12 ILE 555 1HD1 ILE 555 -8.215 2.990 0.802 357 HD13 ILE 555 2HD1 ILE 555 -9.942 2.670 0.963 358 H CYS 556 H CYS 556 -11.137 0.944 1.725 359 HA CYS 556 HA CYS 556 -11.784 -1.600 2.972 360 HB2 CYS 556 2HB CYS 556 -10.131 0.309 3.847 361 HB3 CYS 556 1HB CYS 556 -11.620 0.927 4.543 362 H GLY 557 H GLY 557 -13.888 -1.744 1.968 363 HA2 GLY 557 2HA GLY 557 -15.874 -0.066 3.368 364 HA3 GLY 557 1HA GLY 557 -16.033 -0.427 1.657 365 H LEU 558 H LEU 558 -15.949 -2.874 1.172 366 HA LEU 558 HA LEU 558 -17.262 -4.408 3.289 367 HB2 LEU 558 2HB LEU 558 -18.981 -5.213 1.785 368 HB3 LEU 558 1HB LEU 558 -19.049 -3.468 1.916 369 HG LEU 558 HG LEU 558 -17.798 -4.949 -0.397 370 HD11 LEU 558 1HD1 LEU 558 -20.071 -5.432 -0.579 371 HD12 LEU 558 2HD1 LEU 558 -19.856 -4.003 -1.590 372 HD13 LEU 558 3HD1 LEU 558 -20.552 -3.846 0.023 373 HD21 LEU 558 3HD2 LEU 558 -16.858 -2.957 -0.759 374 HD22 LEU 558 1HD2 LEU 558 -17.889 -2.153 0.423 375 HD23 LEU 558 2HD2 LEU 558 -18.474 -2.420 -1.219 376 H ARG 559 H ARG 559 -15.905 -4.540 -0.007 377 HA ARG 559 HA ARG 559 -14.032 -6.517 0.562 378 HB2 ARG 559 2HB ARG 559 -15.014 -8.510 -0.426 379 HB3 ARG 559 1HB ARG 559 -16.010 -7.955 0.913 380 HG2 ARG 559 2HG ARG 559 -16.789 -6.818 -1.648 381 HG3 ARG 559 1HG ARG 559 -16.907 -8.581 -1.596 382 HD2 ARG 559 2HD ARG 559 -18.114 -6.703 0.433 383 HD3 ARG 559 1HD ARG 559 -18.994 -7.436 -0.908 384 HE ARG 559 HE ARG 559 -17.689 -9.384 0.721 385 HH11 ARG 559 1HH1 ARG 559 -20.520 -7.354 0.496 386 HH12 ARG 559 2HH1 ARG 559 -21.496 -8.392 1.482 387 HH21 ARG 559 1HH2 ARG 559 -18.970 -10.750 2.016 388 HH22 ARG 559 2HH2 ARG 559 -20.615 -10.320 2.346 389 H GLN 560 H GLN 560 -14.213 -4.170 -0.941 390 HA GLN 560 HA GLN 560 -13.990 -5.076 -3.719 391 HB2 GLN 560 2HB GLN 560 -14.287 -2.838 -4.402 392 HB3 GLN 560 1HB GLN 560 -15.430 -3.083 -3.089 393 HG2 GLN 560 2HG GLN 560 -12.972 -2.123 -2.004 394 HG3 GLN 560 1HG GLN 560 -13.455 -1.088 -3.346 395 HE21 GLN 560 1HE2 GLN 560 -14.452 -2.429 -0.270 396 HE22 GLN 560 2HE2 GLN 560 -15.642 -1.230 0.082 Start of MODEL 10 1 H1 ALA 507 1HT ALA 507 -10.742 -10.354 -6.438 2 H2 ALA 507 2HT ALA 507 -10.845 -8.691 -6.853 3 H3 ALA 507 3HT ALA 507 -10.560 -9.867 -8.071 4 HA ALA 507 HA ALA 507 -12.737 -9.429 -8.351 5 HB1 ALA 507 1HB ALA 507 -12.490 -11.789 -8.181 6 HB2 ALA 507 2HB ALA 507 -13.969 -11.357 -7.324 7 HB3 ALA 507 3HB ALA 507 -12.501 -11.725 -6.418 8 H GLN 508 H GLN 508 -12.501 -10.129 -4.857 9 HA GLN 508 HA GLN 508 -13.784 -7.643 -4.185 10 HB2 GLN 508 2HB GLN 508 -15.235 -10.267 -3.866 11 HB3 GLN 508 1HB GLN 508 -15.641 -8.843 -2.918 12 HG2 GLN 508 2HG GLN 508 -16.034 -7.623 -5.053 13 HG3 GLN 508 1HG GLN 508 -15.810 -9.151 -5.904 14 HE21 GLN 508 1HE2 GLN 508 -17.672 -7.752 -3.229 15 HE22 GLN 508 2HE2 GLN 508 -19.135 -8.603 -3.575 16 HA PRO 509 HA PRO 509 -11.142 -9.532 -0.874 17 HB2 PRO 509 2HB PRO 509 -9.010 -7.734 -1.315 18 HB3 PRO 509 1HB PRO 509 -9.072 -9.433 -1.777 19 HG2 PRO 509 2HG PRO 509 -9.009 -7.246 -3.528 20 HG3 PRO 509 1HG PRO 509 -9.415 -8.916 -3.955 21 HD2 PRO 509 2HD PRO 509 -11.218 -6.601 -3.414 22 HD3 PRO 509 1HD PRO 509 -11.418 -7.953 -4.550 23 H LYS 510 H LYS 510 -11.155 -8.787 1.182 24 HA LYS 510 HA LYS 510 -12.150 -6.093 1.637 25 HB2 LYS 510 2HB LYS 510 -11.973 -8.597 3.233 26 HB3 LYS 510 1HB LYS 510 -11.981 -7.076 4.114 27 HG2 LYS 510 2HG LYS 510 -14.174 -6.903 3.883 28 HG3 LYS 510 1HG LYS 510 -14.037 -7.027 2.129 29 HD2 LYS 510 2HD LYS 510 -13.880 -9.476 3.847 30 HD3 LYS 510 1HD LYS 510 -15.444 -8.784 3.411 31 HE2 LYS 510 2HE LYS 510 -15.082 -9.140 1.117 32 HE3 LYS 510 1HE LYS 510 -13.354 -9.409 1.347 33 HZ1 LYS 510 3HZ LYS 510 -13.903 -11.460 2.547 34 HZ2 LYS 510 1HZ LYS 510 -14.466 -11.489 0.952 35 HZ3 LYS 510 2HZ LYS 510 -15.544 -11.213 2.225 36 H CYS 511 H CYS 511 -10.803 -4.460 1.947 37 HA CYS 511 HA CYS 511 -8.964 -3.238 2.493 38 HB2 CYS 511 2HB CYS 511 -9.543 -4.933 4.722 39 HB3 CYS 511 1HB CYS 511 -7.795 -4.775 4.581 40 H ASN 512 H ASN 512 -7.608 -3.400 0.791 41 HA ASN 512 HA ASN 512 -5.822 -5.707 0.643 42 HB2 ASN 512 2HB ASN 512 -6.193 -3.585 -1.466 43 HB3 ASN 512 1HB ASN 512 -5.391 -5.139 -1.641 44 HD21 ASN 512 1HD2 ASN 512 -8.537 -3.738 -0.772 45 HD22 ASN 512 2HD2 ASN 512 -9.479 -4.979 -1.511 46 HA PRO 513 HA PRO 513 -2.723 -2.177 0.991 47 HB2 PRO 513 2HB PRO 513 -3.505 0.335 0.356 48 HB3 PRO 513 1HB PRO 513 -3.164 -0.896 -0.863 49 HG2 PRO 513 2HG PRO 513 -5.712 0.303 -0.196 50 HG3 PRO 513 1HG PRO 513 -5.332 -0.831 -1.501 51 HD2 PRO 513 2HD PRO 513 -6.442 -1.367 1.189 52 HD3 PRO 513 1HD PRO 513 -6.590 -2.306 -0.308 53 H ASN 514 H ASN 514 -5.199 -2.388 2.952 54 HA ASN 514 HA ASN 514 -4.308 -0.225 4.741 55 HB2 ASN 514 2HB ASN 514 -7.020 -1.113 3.965 56 HB3 ASN 514 1HB ASN 514 -6.789 -0.837 5.688 57 HD21 ASN 514 1HD2 ASN 514 -6.879 0.615 2.532 58 HD22 ASN 514 2HD2 ASN 514 -6.923 2.254 3.070 59 H LEU 515 H LEU 515 -2.802 -2.272 4.910 60 HA LEU 515 HA LEU 515 -3.853 -4.025 7.022 61 HB2 LEU 515 2HB LEU 515 -1.341 -4.707 5.609 62 HB3 LEU 515 1HB LEU 515 -2.607 -5.755 6.212 63 HG LEU 515 HG LEU 515 -2.672 -5.994 3.882 64 HD11 LEU 515 1HD1 LEU 515 -4.848 -5.108 5.217 65 HD12 LEU 515 2HD1 LEU 515 -4.862 -5.649 3.539 66 HD13 LEU 515 3HD1 LEU 515 -4.757 -3.930 3.910 67 HD21 LEU 515 3HD2 LEU 515 -3.091 -3.305 2.959 68 HD22 LEU 515 1HD2 LEU 515 -1.870 -4.480 2.466 69 HD23 LEU 515 2HD2 LEU 515 -1.570 -3.419 3.842 70 H HIS 516 H HIS 516 -0.855 -2.386 5.979 71 HA HIS 516 HA HIS 516 -0.311 -1.292 8.503 72 HB2 HIS 516 2HB HIS 516 1.144 -2.731 9.542 73 HB3 HIS 516 1HB HIS 516 0.080 -3.893 8.757 74 HD1 HIS 516 1HD HIS 516 1.050 -5.257 6.807 75 HD2 HIS 516 2HD HIS 516 3.694 -2.509 8.438 76 HE1 HIS 516 1HE HIS 516 3.262 -5.746 5.728 77 HE2 HIS 516 2HE HIS 516 4.859 -4.064 6.722 78 H TYR 517 H TYR 517 1.539 -2.791 5.841 79 HA TYR 517 HA TYR 517 3.654 -1.019 5.779 80 HB2 TYR 517 2HB TYR 517 3.173 -1.699 3.074 81 HB3 TYR 517 1HB TYR 517 4.382 -2.346 4.160 82 HD1 TYR 517 1HD TYR 517 0.667 -2.957 4.299 83 HD2 TYR 517 2HD TYR 517 4.532 -4.531 3.441 84 HE1 TYR 517 1HE TYR 517 -0.304 -5.191 4.026 85 HE2 TYR 517 2HE TYR 517 3.560 -6.771 3.173 86 HH TYR 517 HH TYR 517 0.465 -7.383 2.653 87 H TRP 518 H TRP 518 0.440 -0.356 4.864 88 HA TRP 518 HA TRP 518 1.364 2.056 3.452 89 HB2 TRP 518 2HB TRP 518 -1.362 1.007 2.906 90 HB3 TRP 518 1HB TRP 518 -0.247 1.821 1.840 91 HD1 TRP 518 HD TRP 518 0.947 -1.370 3.522 92 HE1 TRP 518 1HE TRP 518 1.149 -3.191 1.792 93 HE3 TRP 518 3HE TRP 518 -1.264 1.019 -0.411 94 HZ2 TRP 518 2HZ TRP 518 0.446 -3.638 -0.902 95 HZ3 TRP 518 3HZ TRP 518 -1.463 -0.195 -2.544 96 HH2 TRP 518 HH TRP 518 -0.621 -2.474 -2.786 97 H THR 519 H THR 519 -1.084 0.636 5.515 98 HA THR 519 HA THR 519 -2.575 2.954 6.043 99 HB THR 519 HB THR 519 -3.403 0.719 6.555 100 HG1 THR 519 1HG THR 519 -4.203 1.176 8.628 101 HG21 THR 519 3HG2 THR 519 -2.357 -0.794 7.796 102 HG22 THR 519 1HG2 THR 519 -1.960 0.376 9.052 103 HG23 THR 519 2HG2 THR 519 -0.931 0.230 7.625 104 H THR 520 H THR 520 0.429 1.805 7.324 105 HA THR 520 HA THR 520 0.372 3.670 9.551 106 HB THR 520 HB THR 520 1.796 1.255 8.934 107 HG1 THR 520 1HG THR 520 1.028 1.283 10.899 108 HG21 THR 520 3HG2 THR 520 3.555 3.593 9.620 109 HG22 THR 520 1HG2 THR 520 3.770 2.401 8.339 110 HG23 THR 520 2HG2 THR 520 3.971 1.929 10.026 111 H GLN 521 H GLN 521 2.691 3.042 6.917 112 HA GLN 521 HA GLN 521 3.509 5.839 7.101 113 HB2 GLN 521 2HB GLN 521 5.551 5.229 6.102 114 HB3 GLN 521 1HB GLN 521 5.186 3.941 7.241 115 HG2 GLN 521 2HG GLN 521 4.764 2.409 5.583 116 HG3 GLN 521 1HG GLN 521 4.394 3.646 4.389 117 HE21 GLN 521 1HE2 GLN 521 6.428 5.243 4.181 118 HE22 GLN 521 2HE2 GLN 521 7.906 4.408 3.852 119 H ASP 522 H ASP 522 4.607 6.150 4.600 120 HA ASP 522 HA ASP 522 2.180 6.425 2.984 121 HB2 ASP 522 2HB ASP 522 4.631 8.009 3.340 122 HB3 ASP 522 1HB ASP 522 3.993 7.953 1.703 123 H GLU 523 H GLU 523 3.565 3.947 3.086 124 HA GLU 523 HA GLU 523 4.544 2.328 1.786 125 HB2 GLU 523 2HB GLU 523 3.242 3.686 -0.557 126 HB3 GLU 523 1HB GLU 523 3.439 1.964 -0.248 127 HG2 GLU 523 2HG GLU 523 1.793 2.043 1.502 128 HG3 GLU 523 1HG GLU 523 1.665 3.792 1.341 129 H GLY 524 H GLY 524 6.068 4.714 2.200 130 HA2 GLY 524 2HA GLY 524 8.342 4.299 0.777 131 HA3 GLY 524 1HA GLY 524 7.415 5.389 -0.246 132 H ALA 525 H ALA 525 6.158 6.689 2.048 133 HA ALA 525 HA ALA 525 6.470 8.547 3.293 134 HB1 ALA 525 1HB ALA 525 7.483 7.765 5.102 135 HB2 ALA 525 2HB ALA 525 9.001 8.317 4.392 136 HB3 ALA 525 3HB ALA 525 8.458 6.658 4.137 137 H ALA 526 H ALA 526 7.813 8.259 0.490 138 HA ALA 526 HA ALA 526 9.144 9.485 -0.876 139 HB1 ALA 526 1HB ALA 526 7.172 11.031 0.023 140 HB2 ALA 526 2HB ALA 526 8.403 11.621 -1.094 141 HB3 ALA 526 3HB ALA 526 8.543 11.959 0.633 142 H ILE 527 H ILE 527 10.214 8.643 1.889 143 HA ILE 527 HA ILE 527 12.173 10.582 2.577 144 HB ILE 527 HB ILE 527 13.247 8.476 3.697 145 HG12 ILE 527 2HG1 ILE 527 11.660 6.716 4.225 146 HG13 ILE 527 1HG1 ILE 527 10.418 7.517 3.270 147 HG21 ILE 527 1HG2 ILE 527 12.458 10.014 5.177 148 HG22 ILE 527 2HG2 ILE 527 11.324 8.699 5.482 149 HG23 ILE 527 3HG2 ILE 527 10.852 10.048 4.450 150 HD11 ILE 527 3HD1 ILE 527 12.993 6.648 2.026 151 HD12 ILE 527 1HD1 ILE 527 11.433 6.958 1.262 152 HD13 ILE 527 2HD1 ILE 527 11.656 5.520 2.259 153 H GLY 528 H GLY 528 11.996 8.379 0.000 154 HA2 GLY 528 2HA GLY 528 14.196 9.141 -1.363 155 HA3 GLY 528 1HA GLY 528 14.854 7.962 -0.240 156 H LEU 529 H LEU 529 13.216 5.934 -0.166 157 HA LEU 529 HA LEU 529 12.258 4.181 -1.218 158 HB2 LEU 529 2HB LEU 529 11.415 6.223 -2.765 159 HB3 LEU 529 1HB LEU 529 12.348 5.302 -3.931 160 HG LEU 529 HG LEU 529 9.842 4.556 -2.504 161 HD11 LEU 529 1HD1 LEU 529 9.705 3.462 -4.938 162 HD12 LEU 529 2HD1 LEU 529 10.874 4.740 -5.271 163 HD13 LEU 529 3HD1 LEU 529 9.285 5.146 -4.626 164 HD21 LEU 529 3HD2 LEU 529 11.826 2.582 -3.609 165 HD22 LEU 529 1HD2 LEU 529 10.208 2.206 -3.018 166 HD23 LEU 529 2HD2 LEU 529 11.441 2.807 -1.904 167 H ALA 530 H ALA 530 15.045 5.663 -2.566 168 HA ALA 530 HA ALA 530 15.837 3.371 -4.071 169 HB1 ALA 530 1HB ALA 530 16.489 5.602 -4.806 170 HB2 ALA 530 2HB ALA 530 17.906 4.591 -4.521 171 HB3 ALA 530 3HB ALA 530 17.443 5.814 -3.337 172 H TRP 531 H TRP 531 15.807 3.941 -0.862 173 HA TRP 531 HA TRP 531 18.313 2.751 -0.072 174 HB2 TRP 531 2HB TRP 531 17.277 2.879 2.213 175 HB3 TRP 531 1HB TRP 531 17.271 4.427 1.371 176 HD1 TRP 531 HD TRP 531 14.875 4.950 0.027 177 HE1 TRP 531 1HE TRP 531 12.494 4.552 0.834 178 HE3 TRP 531 3HE TRP 531 15.848 1.578 3.736 179 HZ2 TRP 531 2HZ TRP 531 11.165 3.035 2.825 180 HZ3 TRP 531 3HZ TRP 531 13.962 0.709 5.058 181 HH2 TRP 531 HH TRP 531 11.669 1.424 4.612 182 H ILE 532 H ILE 532 15.485 1.619 -1.348 183 HA ILE 532 HA ILE 532 15.813 -1.041 -0.153 184 HB ILE 532 HB ILE 532 13.225 -1.120 -0.591 185 HG12 ILE 532 2HG1 ILE 532 13.809 1.834 -0.315 186 HG13 ILE 532 1HG1 ILE 532 12.977 1.037 -1.642 187 HG21 ILE 532 1HG2 ILE 532 14.181 -1.449 1.582 188 HG22 ILE 532 2HG2 ILE 532 12.876 -0.273 1.742 189 HG23 ILE 532 3HG2 ILE 532 14.555 0.268 1.725 190 HD11 ILE 532 3HD1 ILE 532 11.064 0.646 -0.310 191 HD12 ILE 532 1HD1 ILE 532 11.545 2.320 -0.037 192 HD13 ILE 532 2HD1 ILE 532 11.922 1.085 1.165 193 HA PRO 533 HA PRO 533 16.366 -0.778 -4.924 194 HB2 PRO 533 2HB PRO 533 17.850 -3.177 -3.917 195 HB3 PRO 533 1HB PRO 533 18.251 -2.091 -5.253 196 HG2 PRO 533 2HG PRO 533 19.429 -1.857 -2.856 197 HG3 PRO 533 1HG PRO 533 19.049 -0.441 -3.852 198 HD2 PRO 533 2HD PRO 533 17.812 -1.346 -1.338 199 HD3 PRO 533 1HD PRO 533 17.791 0.260 -2.092 200 H TYR 534 H TYR 534 15.826 -3.660 -2.877 201 HA TYR 534 HA TYR 534 13.961 -4.638 -4.938 202 HB2 TYR 534 2HB TYR 534 14.410 -6.899 -4.015 203 HB3 TYR 534 1HB TYR 534 15.846 -6.116 -4.670 204 HD1 TYR 534 2HD TYR 534 14.046 -6.549 -1.419 205 HD2 TYR 534 1HD TYR 534 17.783 -6.128 -3.412 206 HE1 TYR 534 2HE TYR 534 15.217 -6.910 0.713 207 HE2 TYR 534 1HE TYR 534 18.964 -6.486 -1.285 208 HH TYR 534 HH TYR 534 17.378 -7.612 1.534 209 H PHE 535 H PHE 535 13.794 -3.034 -2.157 210 HA PHE 535 HA PHE 535 11.497 -4.575 -1.146 211 HB2 PHE 535 2HB PHE 535 13.215 -4.425 0.507 212 HB3 PHE 535 1HB PHE 535 13.391 -2.701 0.269 213 HD1 PHE 535 1HD PHE 535 11.404 -1.218 0.865 214 HD2 PHE 535 2HD PHE 535 11.774 -5.262 2.133 215 HE1 PHE 535 1HE PHE 535 9.791 -0.792 2.672 216 HE2 PHE 535 2HE PHE 535 10.158 -4.845 3.943 217 HZ PHE 535 HZ PHE 535 9.168 -2.606 4.212 218 H GLY 536 H GLY 536 12.505 -1.612 -2.533 219 HA2 GLY 536 2HA GLY 536 9.891 -0.393 -1.893 220 HA3 GLY 536 1HA GLY 536 11.344 0.522 -2.239 221 HA PRO 537 HA PRO 537 10.283 0.902 -6.492 222 HB2 PRO 537 2HB PRO 537 12.890 -0.225 -7.329 223 HB3 PRO 537 1HB PRO 537 12.201 1.369 -7.652 224 HG2 PRO 537 2HG PRO 537 14.209 1.074 -5.920 225 HG3 PRO 537 1HG PRO 537 12.901 2.231 -5.609 226 HD2 PRO 537 2HD PRO 537 13.323 -0.505 -4.473 227 HD3 PRO 537 1HD PRO 537 12.808 0.981 -3.649 228 H ALA 538 H ALA 538 11.821 -2.112 -5.565 229 HA ALA 538 HA ALA 538 10.573 -3.557 -7.768 230 HB1 ALA 538 1HB ALA 538 12.098 -4.924 -5.602 231 HB2 ALA 538 2HB ALA 538 12.969 -3.925 -6.765 232 HB3 ALA 538 3HB ALA 538 12.008 -5.294 -7.324 233 H ALA 539 H ALA 539 9.935 -2.718 -4.535 234 HA ALA 539 HA ALA 539 8.569 -4.863 -3.472 235 HB1 ALA 539 1HB ALA 539 8.974 -2.205 -2.805 236 HB2 ALA 539 2HB ALA 539 8.137 -3.416 -1.834 237 HB3 ALA 539 3HB ALA 539 7.221 -2.360 -2.911 238 H GLU 540 H GLU 540 7.105 -2.162 -5.273 239 HA GLU 540 HA GLU 540 5.336 -2.036 -6.673 240 HB2 GLU 540 2HB GLU 540 5.295 -5.041 -6.596 241 HB3 GLU 540 1HB GLU 540 4.543 -4.010 -7.803 242 HG2 GLU 540 2HG GLU 540 7.233 -3.271 -7.765 243 HG3 GLU 540 1HG GLU 540 7.225 -5.031 -7.672 244 H GLY 541 H GLY 541 4.748 -4.681 -4.344 245 HA2 GLY 541 2HA GLY 541 2.023 -3.616 -3.977 246 HA3 GLY 541 1HA GLY 541 2.522 -5.259 -3.611 247 H ILE 542 H ILE 542 4.347 -2.423 -2.717 248 HA ILE 542 HA ILE 542 3.378 -2.502 0.018 249 HB ILE 542 HB ILE 542 6.336 -2.646 -0.290 250 HG12 ILE 542 2HG1 ILE 542 6.130 -5.172 0.079 251 HG13 ILE 542 1HG1 ILE 542 4.474 -5.009 -0.493 252 HG21 ILE 542 1HG2 ILE 542 4.311 -3.014 1.816 253 HG22 ILE 542 2HG2 ILE 542 5.937 -2.336 1.905 254 HG23 ILE 542 3HG2 ILE 542 5.710 -4.084 1.897 255 HD11 ILE 542 3HD1 ILE 542 6.982 -5.015 -1.977 256 HD12 ILE 542 1HD1 ILE 542 5.885 -3.713 -2.442 257 HD13 ILE 542 2HD1 ILE 542 5.343 -5.392 -2.510 258 H TYR 543 H TYR 543 5.349 -1.075 -2.499 259 HA TYR 543 HA TYR 543 5.684 1.340 -0.945 260 HB2 TYR 543 2HB TYR 543 7.611 1.621 -2.088 261 HB3 TYR 543 1HB TYR 543 7.432 -0.089 -2.420 262 HD1 TYR 543 2HD TYR 543 6.152 -0.704 -4.581 263 HD2 TYR 543 1HD TYR 543 7.889 3.106 -3.856 264 HE1 TYR 543 2HE TYR 543 6.179 -0.266 -6.996 265 HE2 TYR 543 1HE TYR 543 7.925 3.559 -6.269 266 HH TYR 543 HH TYR 543 6.220 2.275 -8.408 267 H ILE 544 H ILE 544 4.441 0.217 -4.057 268 HA ILE 544 HA ILE 544 3.201 1.209 -5.694 269 HB ILE 544 HB ILE 544 1.581 2.217 -3.379 270 HG12 ILE 544 2HG1 ILE 544 0.430 -0.033 -3.541 271 HG13 ILE 544 1HG1 ILE 544 1.814 -0.579 -4.479 272 HG21 ILE 544 1HG2 ILE 544 -0.271 1.503 -5.011 273 HG22 ILE 544 2HG2 ILE 544 1.008 1.496 -6.225 274 HG23 ILE 544 3HG2 ILE 544 0.627 2.982 -5.356 275 HD11 ILE 544 3HD1 ILE 544 1.563 -0.777 -1.779 276 HD12 ILE 544 1HD1 ILE 544 2.522 0.691 -1.948 277 HD13 ILE 544 2HD1 ILE 544 3.085 -0.817 -2.664 278 H GLU 545 H GLU 545 2.772 3.600 -3.126 279 HA GLU 545 HA GLU 545 3.139 5.839 -3.018 280 HB2 GLU 545 2HB GLU 545 4.754 5.737 -5.533 281 HB3 GLU 545 1HB GLU 545 4.963 6.765 -4.121 282 HG2 GLU 545 2HG GLU 545 5.347 4.374 -2.993 283 HG3 GLU 545 1HG GLU 545 5.896 4.021 -4.627 284 H GLY 546 H GLY 546 0.914 4.731 -4.434 285 HA2 GLY 546 2HA GLY 546 0.269 7.075 -6.073 286 HA3 GLY 546 1HA GLY 546 0.027 5.481 -6.766 287 H LEU 547 H LEU 547 -0.588 5.206 -3.509 288 HA LEU 547 HA LEU 547 -3.375 6.092 -3.738 289 HB2 LEU 547 2HB LEU 547 -4.334 4.023 -3.292 290 HB3 LEU 547 1HB LEU 547 -3.106 3.690 -4.496 291 HG LEU 547 HG LEU 547 -2.781 3.207 -1.536 292 HD11 LEU 547 1HD1 LEU 547 -3.059 0.872 -2.017 293 HD12 LEU 547 2HD1 LEU 547 -3.233 1.204 -3.740 294 HD13 LEU 547 3HD1 LEU 547 -4.472 1.747 -2.608 295 HD21 LEU 547 3HD2 LEU 547 -0.991 3.005 -3.879 296 HD22 LEU 547 1HD2 LEU 547 -0.909 1.700 -2.695 297 HD23 LEU 547 2HD2 LEU 547 -0.620 3.366 -2.195 298 H MET 548 H MET 548 -0.636 5.747 -1.824 299 HA MET 548 HA MET 548 -1.971 5.503 0.696 300 HB2 MET 548 2HB MET 548 0.442 6.468 1.439 301 HB3 MET 548 1HB MET 548 0.105 4.775 1.151 302 HG2 MET 548 2HG MET 548 2.120 5.224 0.058 303 HG3 MET 548 1HG MET 548 0.918 5.152 -1.220 304 HE1 MET 548 3HE MET 548 1.866 7.812 -3.233 305 HE2 MET 548 1HE MET 548 0.223 7.984 -2.619 306 HE3 MET 548 2HE MET 548 0.898 6.379 -2.888 307 H HIS 549 H HIS 549 -3.510 7.220 0.272 308 HA HIS 549 HA HIS 549 -2.471 9.784 1.255 309 HB2 HIS 549 2HB HIS 549 -4.766 10.076 -0.547 310 HB3 HIS 549 1HB HIS 549 -3.281 11.013 -0.457 311 HD1 HIS 549 1HD HIS 549 -4.995 9.351 -2.892 312 HD2 HIS 549 2HD HIS 549 -1.092 8.958 -1.526 313 HE1 HIS 549 1HE HIS 549 -3.730 8.274 -4.778 314 HE2 HIS 549 2HE HIS 549 -1.348 8.140 -3.967 315 H ASN 550 H ASN 550 -3.824 7.490 2.510 316 HA ASN 550 HA ASN 550 -5.420 7.099 4.080 317 HB2 ASN 550 2HB ASN 550 -6.012 10.058 3.966 318 HB3 ASN 550 1HB ASN 550 -6.334 8.951 5.297 319 HD21 ASN 550 1HD2 ASN 550 -4.713 8.409 6.690 320 HD22 ASN 550 2HD2 ASN 550 -3.157 9.160 6.676 321 H GLN 551 H GLN 551 -6.680 5.897 2.630 322 HA GLN 551 HA GLN 551 -9.024 7.314 1.564 323 HB2 GLN 551 2HB GLN 551 -8.769 4.747 0.345 324 HB3 GLN 551 1HB GLN 551 -8.706 6.329 -0.409 325 HG2 GLN 551 2HG GLN 551 -6.615 5.868 -0.969 326 HG3 GLN 551 1HG GLN 551 -6.191 6.017 0.732 327 HE21 GLN 551 1HE2 GLN 551 -6.391 4.038 2.037 328 HE22 GLN 551 2HE2 GLN 551 -6.018 2.522 1.301 329 H ASP 552 H ASP 552 -8.363 3.908 2.098 330 HA ASP 552 HA ASP 552 -9.457 2.281 3.250 331 HB2 ASP 552 2HB ASP 552 -9.081 4.232 5.068 332 HB3 ASP 552 1HB ASP 552 -10.841 4.189 5.056 333 H GLY 553 H GLY 553 -10.748 3.807 1.036 334 HA2 GLY 553 2HA GLY 553 -13.520 2.968 1.605 335 HA3 GLY 553 1HA GLY 553 -13.181 4.480 0.773 336 H LEU 554 H LEU 554 -10.974 3.438 -0.754 337 HA LEU 554 HA LEU 554 -12.477 2.197 -2.895 338 HB2 LEU 554 2HB LEU 554 -10.424 2.537 -4.194 339 HB3 LEU 554 1HB LEU 554 -10.979 4.012 -3.426 340 HG LEU 554 HG LEU 554 -9.200 3.046 -1.561 341 HD11 LEU 554 1HD1 LEU 554 -7.321 2.144 -2.561 342 HD12 LEU 554 2HD1 LEU 554 -7.790 2.680 -4.175 343 HD13 LEU 554 3HD1 LEU 554 -8.629 1.327 -3.415 344 HD21 LEU 554 3HD2 LEU 554 -9.539 5.346 -2.727 345 HD22 LEU 554 1HD2 LEU 554 -8.258 4.790 -3.803 346 HD23 LEU 554 2HD2 LEU 554 -7.957 4.927 -2.071 347 H ILE 555 H ILE 555 -11.051 0.981 -0.251 348 HA ILE 555 HA ILE 555 -10.473 -1.570 -1.550 349 HB ILE 555 HB ILE 555 -8.472 -1.891 -0.149 350 HG12 ILE 555 2HG1 ILE 555 -9.028 -0.285 1.641 351 HG13 ILE 555 1HG1 ILE 555 -7.434 0.005 0.977 352 HG21 ILE 555 1HG2 ILE 555 -7.240 -1.173 -1.847 353 HG22 ILE 555 2HG2 ILE 555 -7.586 0.516 -1.468 354 HG23 ILE 555 3HG2 ILE 555 -8.694 -0.407 -2.485 355 HD11 ILE 555 3HD1 ILE 555 -8.967 1.643 -0.544 356 HD12 ILE 555 1HD1 ILE 555 -8.058 2.125 0.884 357 HD13 ILE 555 2HD1 ILE 555 -9.768 1.726 1.023 358 H CYS 556 H CYS 556 -10.924 0.216 1.463 359 HA CYS 556 HA CYS 556 -12.006 -2.227 2.676 360 HB2 CYS 556 2HB CYS 556 -9.952 -0.645 3.594 361 HB3 CYS 556 1HB CYS 556 -11.331 -0.017 4.491 362 H GLY 557 H GLY 557 -14.125 -1.902 1.872 363 HA2 GLY 557 2HA GLY 557 -15.535 0.366 3.133 364 HA3 GLY 557 1HA GLY 557 -15.928 -0.211 1.520 365 H LEU 558 H LEU 558 -16.508 -2.616 1.440 366 HA LEU 558 HA LEU 558 -17.860 -3.501 3.870 367 HB2 LEU 558 2HB LEU 558 -19.936 -3.945 2.636 368 HB3 LEU 558 1HB LEU 558 -19.542 -2.240 2.719 369 HG LEU 558 HG LEU 558 -18.745 -3.790 0.293 370 HD11 LEU 558 1HD1 LEU 558 -20.935 -4.453 0.213 371 HD12 LEU 558 2HD1 LEU 558 -21.039 -2.887 -0.593 372 HD13 LEU 558 3HD1 LEU 558 -21.511 -3.040 1.098 373 HD21 LEU 558 3HD2 LEU 558 -18.400 -1.202 1.059 374 HD22 LEU 558 1HD2 LEU 558 -19.879 -1.095 0.103 375 HD23 LEU 558 2HD2 LEU 558 -18.412 -1.765 -0.612 376 H ARG 559 H ARG 559 -16.900 -4.250 0.543 377 HA ARG 559 HA ARG 559 -15.713 -6.678 1.118 378 HB2 ARG 559 2HB ARG 559 -17.502 -8.208 0.082 379 HB3 ARG 559 1HB ARG 559 -17.747 -7.683 1.745 380 HG2 ARG 559 2HG ARG 559 -19.777 -7.051 1.087 381 HG3 ARG 559 1HG ARG 559 -18.959 -5.698 0.300 382 HD2 ARG 559 2HD ARG 559 -19.643 -6.424 -1.673 383 HD3 ARG 559 1HD ARG 559 -18.776 -7.940 -1.423 384 HE ARG 559 HE ARG 559 -21.049 -8.349 -0.049 385 HH11 ARG 559 1HH1 ARG 559 -20.467 -7.186 -3.290 386 HH12 ARG 559 2HH1 ARG 559 -21.945 -7.829 -3.919 387 HH21 ARG 559 1HH2 ARG 559 -22.992 -9.193 -0.876 388 HH22 ARG 559 2HH2 ARG 559 -23.381 -8.967 -2.548 389 H GLN 560 H GLN 560 -15.553 -4.396 -0.570 390 HA GLN 560 HA GLN 560 -15.983 -5.189 -3.285 391 HB2 GLN 560 2HB GLN 560 -15.036 -3.102 -3.898 392 HB3 GLN 560 1HB GLN 560 -15.955 -2.804 -2.431 393 HG2 GLN 560 2HG GLN 560 -12.993 -3.307 -2.411 394 HG3 GLN 560 1HG GLN 560 -13.692 -1.700 -2.600 395 HE21 GLN 560 1HE2 GLN 560 -13.417 -4.461 -0.454 396 HE22 GLN 560 2HE2 GLN 560 -13.771 -3.605 1.003 Start of MODEL 11 1 H1 ALA 507 1HT ALA 507 -12.016 -10.243 -7.239 2 H2 ALA 507 2HT ALA 507 -12.009 -11.920 -6.876 3 H3 ALA 507 3HT ALA 507 -12.092 -10.767 -5.609 4 HA ALA 507 HA ALA 507 -14.127 -10.890 -7.703 5 HB1 ALA 507 1HB ALA 507 -14.525 -12.297 -5.107 6 HB2 ALA 507 2HB ALA 507 -13.656 -13.120 -6.402 7 HB3 ALA 507 3HB ALA 507 -15.308 -12.561 -6.666 8 H GLN 508 H GLN 508 -13.531 -10.509 -4.202 9 HA GLN 508 HA GLN 508 -14.340 -7.828 -4.087 10 HB2 GLN 508 2HB GLN 508 -16.492 -9.836 -3.896 11 HB3 GLN 508 1HB GLN 508 -16.493 -8.627 -2.620 12 HG2 GLN 508 2HG GLN 508 -16.106 -7.180 -4.960 13 HG3 GLN 508 1HG GLN 508 -17.305 -8.403 -5.378 14 HE21 GLN 508 1HE2 GLN 508 -18.944 -8.689 -3.446 15 HE22 GLN 508 2HE2 GLN 508 -19.650 -7.210 -2.901 16 HA PRO 509 HA PRO 509 -12.331 -9.859 -0.347 17 HB2 PRO 509 2HB PRO 509 -9.964 -8.547 -0.493 18 HB3 PRO 509 1HB PRO 509 -10.266 -10.068 -1.339 19 HG2 PRO 509 2HG PRO 509 -10.350 -7.266 -2.390 20 HG3 PRO 509 1HG PRO 509 -9.649 -8.719 -3.130 21 HD2 PRO 509 2HD PRO 509 -12.072 -7.737 -3.845 22 HD3 PRO 509 1HD PRO 509 -11.690 -9.470 -3.888 23 H LYS 510 H LYS 510 -10.900 -8.392 1.328 24 HA LYS 510 HA LYS 510 -12.238 -5.793 1.605 25 HB2 LYS 510 2HB LYS 510 -11.880 -7.716 3.904 26 HB3 LYS 510 1HB LYS 510 -12.740 -6.183 3.920 27 HG2 LYS 510 2HG LYS 510 -14.536 -7.519 3.707 28 HG3 LYS 510 1HG LYS 510 -14.114 -7.446 1.995 29 HD2 LYS 510 2HD LYS 510 -12.547 -9.496 2.809 30 HD3 LYS 510 1HD LYS 510 -13.919 -9.680 3.905 31 HE2 LYS 510 2HE LYS 510 -15.431 -9.979 2.141 32 HE3 LYS 510 1HE LYS 510 -14.306 -9.324 0.951 33 HZ1 LYS 510 3HZ LYS 510 -14.714 -11.920 1.295 34 HZ2 LYS 510 1HZ LYS 510 -13.429 -11.703 2.374 35 HZ3 LYS 510 2HZ LYS 510 -13.246 -11.286 0.746 36 H CYS 511 H CYS 511 -10.814 -4.221 1.920 37 HA CYS 511 HA CYS 511 -8.891 -3.106 2.408 38 HB2 CYS 511 2HB CYS 511 -9.374 -4.886 4.633 39 HB3 CYS 511 1HB CYS 511 -7.646 -4.652 4.398 40 H ASN 512 H ASN 512 -7.811 -3.461 0.484 41 HA ASN 512 HA ASN 512 -6.155 -5.831 0.232 42 HB2 ASN 512 2HB ASN 512 -6.464 -3.614 -1.788 43 HB3 ASN 512 1HB ASN 512 -5.812 -5.224 -2.057 44 HD21 ASN 512 1HD2 ASN 512 -8.757 -3.508 -1.111 45 HD22 ASN 512 2HD2 ASN 512 -9.852 -4.670 -1.766 46 HA PRO 513 HA PRO 513 -2.769 -2.568 0.518 47 HB2 PRO 513 2HB PRO 513 -3.383 0.015 0.008 48 HB3 PRO 513 1HB PRO 513 -3.215 -1.192 -1.269 49 HG2 PRO 513 2HG PRO 513 -5.617 0.174 -0.396 50 HG3 PRO 513 1HG PRO 513 -5.409 -0.924 -1.768 51 HD2 PRO 513 2HD PRO 513 -6.398 -1.492 0.961 52 HD3 PRO 513 1HD PRO 513 -6.703 -2.355 -0.559 53 H ASN 514 H ASN 514 -5.123 -2.698 2.608 54 HA ASN 514 HA ASN 514 -3.998 -0.670 4.422 55 HB2 ASN 514 2HB ASN 514 -6.798 -1.332 3.757 56 HB3 ASN 514 1HB ASN 514 -6.466 -1.172 5.478 57 HD21 ASN 514 1HD2 ASN 514 -6.551 0.459 2.404 58 HD22 ASN 514 2HD2 ASN 514 -6.475 2.065 3.033 59 H LEU 515 H LEU 515 -2.621 -2.806 4.436 60 HA LEU 515 HA LEU 515 -3.683 -4.581 6.523 61 HB2 LEU 515 2HB LEU 515 -1.296 -5.374 4.965 62 HB3 LEU 515 1HB LEU 515 -2.615 -6.352 5.572 63 HG LEU 515 HG LEU 515 -2.787 -6.470 3.236 64 HD11 LEU 515 1HD1 LEU 515 -4.781 -4.999 4.697 65 HD12 LEU 515 2HD1 LEU 515 -4.977 -6.206 3.428 66 HD13 LEU 515 3HD1 LEU 515 -4.762 -4.509 3.004 67 HD21 LEU 515 3HD2 LEU 515 -1.497 -3.984 3.268 68 HD22 LEU 515 1HD2 LEU 515 -3.040 -3.714 2.459 69 HD23 LEU 515 2HD2 LEU 515 -1.934 -4.950 1.858 70 H HIS 516 H HIS 516 -0.681 -2.996 5.422 71 HA HIS 516 HA HIS 516 0.053 -2.101 7.967 72 HB2 HIS 516 2HB HIS 516 1.471 -3.666 8.857 73 HB3 HIS 516 1HB HIS 516 0.342 -4.738 8.034 74 HD1 HIS 516 1HD HIS 516 1.213 -6.052 6.024 75 HD2 HIS 516 2HD HIS 516 3.976 -3.408 7.626 76 HE1 HIS 516 1HE HIS 516 3.365 -6.542 4.832 77 HE2 HIS 516 2HE HIS 516 5.035 -4.923 5.807 78 H TYR 517 H TYR 517 1.696 -3.524 5.135 79 HA TYR 517 HA TYR 517 3.871 -1.814 5.068 80 HB2 TYR 517 2HB TYR 517 3.313 -2.391 2.364 81 HB3 TYR 517 1HB TYR 517 4.505 -3.134 3.407 82 HD1 TYR 517 2HD TYR 517 0.774 -3.589 3.627 83 HD2 TYR 517 1HD TYR 517 4.535 -5.284 2.558 84 HE1 TYR 517 2HE TYR 517 -0.300 -5.768 3.305 85 HE2 TYR 517 1HE TYR 517 3.455 -7.464 2.221 86 HH TYR 517 HH TYR 517 0.652 -8.332 3.408 87 H TRP 518 H TRP 518 0.646 -1.034 4.283 88 HA TRP 518 HA TRP 518 1.603 1.409 2.948 89 HB2 TRP 518 2HB TRP 518 -1.160 0.500 2.382 90 HB3 TRP 518 1HB TRP 518 -0.004 1.280 1.335 91 HD1 TRP 518 HD TRP 518 1.100 -1.996 2.878 92 HE1 TRP 518 1HE TRP 518 1.149 -3.777 1.101 93 HE3 TRP 518 3HE TRP 518 -1.198 0.573 -0.887 94 HZ2 TRP 518 2HZ TRP 518 0.305 -4.128 -1.569 95 HZ3 TRP 518 3HZ TRP 518 -1.538 -0.573 -3.039 96 HH2 TRP 518 HH TRP 518 -0.797 -2.875 -3.373 97 H THR 519 H THR 519 -0.774 -0.045 5.063 98 HA THR 519 HA THR 519 -2.207 2.299 5.699 99 HB THR 519 HB THR 519 -3.123 0.096 6.140 100 HG1 THR 519 1HG THR 519 -3.730 0.434 8.337 101 HG21 THR 519 3HG2 THR 519 -0.659 -0.633 6.989 102 HG22 THR 519 1HG2 THR 519 -2.141 -1.537 7.300 103 HG23 THR 519 2HG2 THR 519 -1.510 -0.435 8.522 104 H THR 520 H THR 520 0.826 1.051 6.771 105 HA THR 520 HA THR 520 0.883 2.784 9.105 106 HB THR 520 HB THR 520 2.019 0.315 8.564 107 HG1 THR 520 1HG THR 520 1.547 1.030 10.611 108 HG21 THR 520 3HG2 THR 520 3.928 1.036 7.387 109 HG22 THR 520 1HG2 THR 520 4.462 0.743 9.042 110 HG23 THR 520 2HG2 THR 520 4.192 2.393 8.481 111 H GLN 521 H GLN 521 3.034 2.252 6.308 112 HA GLN 521 HA GLN 521 3.931 5.015 6.605 113 HB2 GLN 521 2HB GLN 521 5.901 4.441 5.459 114 HB3 GLN 521 1HB GLN 521 5.586 3.089 6.536 115 HG2 GLN 521 2HG GLN 521 5.152 1.652 4.839 116 HG3 GLN 521 1HG GLN 521 4.555 2.911 3.769 117 HE21 GLN 521 1HE2 GLN 521 6.601 4.695 3.655 118 HE22 GLN 521 2HE2 GLN 521 8.012 3.948 2.996 119 H ASP 522 H ASP 522 4.843 5.534 4.109 120 HA ASP 522 HA ASP 522 2.328 5.828 2.630 121 HB2 ASP 522 2HB ASP 522 4.701 7.502 3.038 122 HB3 ASP 522 1HB ASP 522 4.078 7.505 1.394 123 H GLU 523 H GLU 523 3.929 3.429 2.533 124 HA GLU 523 HA GLU 523 4.938 1.959 1.091 125 HB2 GLU 523 2HB GLU 523 3.444 3.243 -1.158 126 HB3 GLU 523 1HB GLU 523 3.693 1.538 -0.816 127 HG2 GLU 523 2HG GLU 523 2.008 1.494 0.799 128 HG3 GLU 523 1HG GLU 523 1.987 3.251 0.951 129 H GLY 524 H GLY 524 6.247 4.527 1.481 130 HA2 GLY 524 2HA GLY 524 8.494 4.421 0.050 131 HA3 GLY 524 1HA GLY 524 7.410 5.216 -1.084 132 H ALA 525 H ALA 525 5.968 6.423 1.251 133 HA ALA 525 HA ALA 525 5.894 8.607 1.938 134 HB1 ALA 525 1HB ALA 525 7.313 6.907 3.638 135 HB2 ALA 525 2HB ALA 525 6.389 8.346 4.069 136 HB3 ALA 525 3HB ALA 525 8.111 8.479 3.699 137 H ALA 526 H ALA 526 7.631 8.364 -0.413 138 HA ALA 526 HA ALA 526 9.288 9.466 -1.492 139 HB1 ALA 526 1HB ALA 526 8.471 11.995 -0.178 140 HB2 ALA 526 2HB ALA 526 7.245 11.098 -1.074 141 HB3 ALA 526 3HB ALA 526 8.714 11.639 -1.887 142 H ILE 527 H ILE 527 9.836 8.644 1.414 143 HA ILE 527 HA ILE 527 11.586 10.473 2.594 144 HB ILE 527 HB ILE 527 12.692 8.282 3.467 145 HG12 ILE 527 2HG1 ILE 527 11.108 7.160 1.521 146 HG13 ILE 527 1HG1 ILE 527 11.836 6.289 2.862 147 HG21 ILE 527 1HG2 ILE 527 10.738 7.992 5.054 148 HG22 ILE 527 2HG2 ILE 527 9.922 9.229 4.098 149 HG23 ILE 527 3HG2 ILE 527 11.429 9.609 4.930 150 HD11 ILE 527 3HD1 ILE 527 9.702 6.799 4.129 151 HD12 ILE 527 1HD1 ILE 527 9.594 5.648 2.795 152 HD13 ILE 527 2HD1 ILE 527 9.056 7.309 2.570 153 H GLY 528 H GLY 528 12.005 8.143 0.036 154 HA2 GLY 528 2HA GLY 528 14.096 9.378 -1.254 155 HA3 GLY 528 1HA GLY 528 14.870 8.339 -0.068 156 H LEU 529 H LEU 529 13.032 6.203 -0.155 157 HA LEU 529 HA LEU 529 12.498 4.307 -1.283 158 HB2 LEU 529 2HB LEU 529 12.880 6.075 -3.679 159 HB3 LEU 529 1HB LEU 529 12.407 4.395 -3.800 160 HG LEU 529 HG LEU 529 10.320 4.810 -2.720 161 HD11 LEU 529 1HD1 LEU 529 10.950 6.317 -0.987 162 HD12 LEU 529 2HD1 LEU 529 9.733 7.130 -1.973 163 HD13 LEU 529 3HD1 LEU 529 11.438 7.547 -2.152 164 HD21 LEU 529 3HD2 LEU 529 9.515 6.838 -4.173 165 HD22 LEU 529 1HD2 LEU 529 9.991 5.319 -4.931 166 HD23 LEU 529 2HD2 LEU 529 11.114 6.678 -4.900 167 H ALA 530 H ALA 530 15.462 5.903 -1.755 168 HA ALA 530 HA ALA 530 16.707 3.727 -3.141 169 HB1 ALA 530 1HB ALA 530 17.450 6.104 -3.372 170 HB2 ALA 530 2HB ALA 530 18.748 4.970 -2.997 171 HB3 ALA 530 3HB ALA 530 18.086 6.004 -1.730 172 H TRP 531 H TRP 531 15.981 4.490 0.055 173 HA TRP 531 HA TRP 531 18.020 3.017 1.401 174 HB2 TRP 531 2HB TRP 531 16.574 3.366 3.380 175 HB3 TRP 531 1HB TRP 531 16.800 4.864 2.482 176 HD1 TRP 531 HD TRP 531 14.702 5.302 0.600 177 HE1 TRP 531 1HE TRP 531 12.204 5.095 1.039 178 HE3 TRP 531 3HE TRP 531 14.857 2.340 4.761 179 HZ2 TRP 531 2HZ TRP 531 10.479 3.856 2.916 180 HZ3 TRP 531 3HZ TRP 531 12.733 1.693 5.823 181 HH2 TRP 531 HH TRP 531 10.590 2.436 4.919 182 H ILE 532 H ILE 532 15.308 2.153 -0.392 183 HA ILE 532 HA ILE 532 15.180 -0.485 0.891 184 HB ILE 532 HB ILE 532 12.784 -0.467 -0.072 185 HG12 ILE 532 2HG1 ILE 532 13.426 2.485 0.005 186 HG13 ILE 532 1HG1 ILE 532 12.912 1.553 -1.396 187 HG21 ILE 532 1HG2 ILE 532 13.617 1.189 2.300 188 HG22 ILE 532 2HG2 ILE 532 13.244 -0.537 2.286 189 HG23 ILE 532 3HG2 ILE 532 11.964 0.645 2.000 190 HD11 ILE 532 3HD1 ILE 532 10.740 1.183 -0.325 191 HD12 ILE 532 1HD1 ILE 532 11.095 2.896 -0.548 192 HD13 ILE 532 2HD1 ILE 532 11.265 2.160 1.045 193 HA PRO 533 HA PRO 533 16.741 -0.572 -3.653 194 HB2 PRO 533 2HB PRO 533 18.058 -2.850 -2.236 195 HB3 PRO 533 1HB PRO 533 18.692 -1.804 -3.510 196 HG2 PRO 533 2HG PRO 533 19.379 -1.443 -0.952 197 HG3 PRO 533 1HG PRO 533 19.144 -0.072 -2.051 198 HD2 PRO 533 2HD PRO 533 17.446 -1.009 0.184 199 HD3 PRO 533 1HD PRO 533 17.591 0.609 -0.527 200 H TYR 534 H TYR 534 15.738 -3.176 -1.440 201 HA TYR 534 HA TYR 534 14.401 -4.471 -3.725 202 HB2 TYR 534 2HB TYR 534 14.617 -6.582 -2.441 203 HB3 TYR 534 1HB TYR 534 16.171 -5.854 -2.835 204 HD1 TYR 534 2HD TYR 534 13.651 -5.910 -0.069 205 HD2 TYR 534 1HD TYR 534 17.756 -5.670 -1.165 206 HE1 TYR 534 2HE TYR 534 14.284 -5.972 2.306 207 HE2 TYR 534 1HE TYR 534 18.399 -5.732 1.207 208 HH TYR 534 HH TYR 534 17.248 -5.108 3.444 209 H PHE 535 H PHE 535 13.627 -2.516 -1.290 210 HA PHE 535 HA PHE 535 11.143 -3.958 -0.645 211 HB2 PHE 535 2HB PHE 535 12.422 -3.600 1.341 212 HB3 PHE 535 1HB PHE 535 12.703 -1.919 0.942 213 HD1 PHE 535 2HD PHE 535 10.683 -0.365 0.884 214 HD2 PHE 535 1HD PHE 535 10.618 -4.227 2.663 215 HE1 PHE 535 2HE PHE 535 8.711 0.284 2.202 216 HE2 PHE 535 1HE PHE 535 8.643 -3.586 3.987 217 HZ PHE 535 HZ PHE 535 7.691 -1.326 3.756 218 H GLY 536 H GLY 536 12.506 -1.079 -1.983 219 HA2 GLY 536 2HA GLY 536 9.804 0.096 -2.221 220 HA3 GLY 536 1HA GLY 536 11.292 1.029 -2.235 221 HA PRO 537 HA PRO 537 11.381 1.356 -6.626 222 HB2 PRO 537 2HB PRO 537 14.092 0.111 -6.397 223 HB3 PRO 537 1HB PRO 537 13.589 1.546 -7.296 224 HG2 PRO 537 2HG PRO 537 14.873 1.737 -4.949 225 HG3 PRO 537 1HG PRO 537 13.620 2.894 -5.425 226 HD2 PRO 537 2HD PRO 537 13.536 0.760 -3.391 227 HD3 PRO 537 1HD PRO 537 12.574 2.242 -3.509 228 H ALA 538 H ALA 538 12.815 -1.611 -5.296 229 HA ALA 538 HA ALA 538 12.231 -3.193 -7.608 230 HB1 ALA 538 1HB ALA 538 14.058 -3.614 -5.887 231 HB2 ALA 538 2HB ALA 538 13.125 -5.016 -6.413 232 HB3 ALA 538 3HB ALA 538 12.785 -4.264 -4.853 233 H ALA 539 H ALA 539 10.614 -2.438 -4.614 234 HA ALA 539 HA ALA 539 8.680 -4.495 -4.637 235 HB1 ALA 539 1HB ALA 539 8.616 -3.570 -2.592 236 HB2 ALA 539 2HB ALA 539 7.440 -2.473 -3.317 237 HB3 ALA 539 3HB ALA 539 9.129 -1.991 -3.182 238 H GLU 540 H GLU 540 6.495 -4.436 -5.233 239 HA GLU 540 HA GLU 540 5.699 -2.299 -7.085 240 HB2 GLU 540 2HB GLU 540 5.395 -5.267 -7.575 241 HB3 GLU 540 1HB GLU 540 4.695 -4.002 -8.579 242 HG2 GLU 540 2HG GLU 540 7.058 -3.154 -8.907 243 HG3 GLU 540 1HG GLU 540 7.591 -4.673 -8.187 244 H GLY 541 H GLY 541 4.809 -4.817 -4.838 245 HA2 GLY 541 2HA GLY 541 2.084 -3.684 -4.701 246 HA3 GLY 541 1HA GLY 541 2.449 -5.376 -4.386 247 H ILE 542 H ILE 542 4.491 -2.770 -3.320 248 HA ILE 542 HA ILE 542 3.466 -2.958 -0.587 249 HB ILE 542 HB ILE 542 6.425 -2.996 -0.892 250 HG12 ILE 542 2HG1 ILE 542 6.224 -5.582 -0.727 251 HG13 ILE 542 1HG1 ILE 542 4.636 -5.343 -1.450 252 HG21 ILE 542 1HG2 ILE 542 5.945 -2.894 1.318 253 HG22 ILE 542 2HG2 ILE 542 5.870 -4.647 1.136 254 HG23 ILE 542 3HG2 ILE 542 4.386 -3.694 1.129 255 HD11 ILE 542 3HD1 ILE 542 5.807 -5.621 -3.353 256 HD12 ILE 542 1HD1 ILE 542 7.320 -5.074 -2.633 257 HD13 ILE 542 2HD1 ILE 542 6.113 -3.895 -3.149 258 H TYR 543 H TYR 543 5.396 -1.362 -3.026 259 HA TYR 543 HA TYR 543 5.587 1.022 -1.369 260 HB2 TYR 543 2HB TYR 543 7.591 1.367 -2.332 261 HB3 TYR 543 1HB TYR 543 7.487 -0.323 -2.768 262 HD1 TYR 543 2HD TYR 543 6.120 -0.723 -5.044 263 HD2 TYR 543 1HD TYR 543 8.207 2.833 -3.999 264 HE1 TYR 543 2HE TYR 543 6.297 -0.137 -7.418 265 HE2 TYR 543 1HE TYR 543 8.397 3.432 -6.372 266 HH TYR 543 HH TYR 543 7.623 1.223 -8.893 267 H ILE 544 H ILE 544 4.313 -0.253 -4.351 268 HA ILE 544 HA ILE 544 3.194 0.703 -6.123 269 HB ILE 544 HB ILE 544 1.509 1.871 -3.936 270 HG12 ILE 544 2HG1 ILE 544 0.406 -0.519 -4.153 271 HG13 ILE 544 1HG1 ILE 544 2.043 -0.988 -4.594 272 HG21 ILE 544 1HG2 ILE 544 0.492 2.418 -5.911 273 HG22 ILE 544 2HG2 ILE 544 -0.244 0.846 -5.600 274 HG23 ILE 544 3HG2 ILE 544 1.094 0.983 -6.742 275 HD11 ILE 544 3HD1 ILE 544 1.601 -1.327 -2.223 276 HD12 ILE 544 1HD1 ILE 544 1.240 0.388 -2.043 277 HD13 ILE 544 2HD1 ILE 544 2.868 -0.130 -2.477 278 H GLU 545 H GLU 545 2.760 3.220 -3.675 279 HA GLU 545 HA GLU 545 3.171 5.452 -3.665 280 HB2 GLU 545 2HB GLU 545 4.825 5.018 -6.145 281 HB3 GLU 545 1HB GLU 545 4.930 6.357 -5.007 282 HG2 GLU 545 2HG GLU 545 5.515 4.614 -3.259 283 HG3 GLU 545 1HG GLU 545 5.749 3.504 -4.607 284 H GLY 546 H GLY 546 0.904 4.365 -4.954 285 HA2 GLY 546 2HA GLY 546 0.285 6.618 -6.728 286 HA3 GLY 546 1HA GLY 546 -0.050 4.988 -7.290 287 H LEU 547 H LEU 547 -0.536 4.917 -4.024 288 HA LEU 547 HA LEU 547 -3.262 5.973 -4.113 289 HB2 LEU 547 2HB LEU 547 -4.312 3.950 -3.493 290 HB3 LEU 547 1HB LEU 547 -3.329 3.620 -4.905 291 HG LEU 547 HG LEU 547 -2.339 3.031 -2.129 292 HD11 LEU 547 1HD1 LEU 547 -3.832 1.130 -3.930 293 HD12 LEU 547 2HD1 LEU 547 -4.505 1.890 -2.487 294 HD13 LEU 547 3HD1 LEU 547 -3.146 0.775 -2.345 295 HD21 LEU 547 3HD2 LEU 547 -0.589 2.977 -3.696 296 HD22 LEU 547 1HD2 LEU 547 -1.586 2.176 -4.909 297 HD23 LEU 547 2HD2 LEU 547 -1.060 1.293 -3.476 298 H MET 548 H MET 548 -0.459 5.510 -2.381 299 HA MET 548 HA MET 548 -1.634 5.271 0.220 300 HB2 MET 548 2HB MET 548 0.867 6.101 0.813 301 HB3 MET 548 1HB MET 548 0.434 4.431 0.510 302 HG2 MET 548 2HG MET 548 2.390 4.824 -0.707 303 HG3 MET 548 1HG MET 548 1.103 4.829 -1.900 304 HE1 MET 548 3HE MET 548 2.018 7.468 -3.931 305 HE2 MET 548 1HE MET 548 0.440 7.740 -3.193 306 HE3 MET 548 2HE MET 548 0.987 6.098 -3.526 307 H HIS 549 H HIS 549 -3.106 7.056 -0.003 308 HA HIS 549 HA HIS 549 -1.859 9.558 0.885 309 HB2 HIS 549 2HB HIS 549 -4.301 9.976 -0.684 310 HB3 HIS 549 1HB HIS 549 -2.771 10.842 -0.735 311 HD1 HIS 549 1HD HIS 549 -4.797 9.264 -2.989 312 HD2 HIS 549 2HD HIS 549 -0.791 8.717 -2.033 313 HE1 HIS 549 1HE HIS 549 -3.774 8.152 -4.997 314 HE2 HIS 549 2HE HIS 549 -1.328 7.925 -4.437 315 H ASN 550 H ASN 550 -3.175 7.322 2.257 316 HA ASN 550 HA ASN 550 -4.641 6.970 3.957 317 HB2 ASN 550 2HB ASN 550 -4.912 9.982 3.921 318 HB3 ASN 550 1HB ASN 550 -5.424 8.916 5.225 319 HD21 ASN 550 1HD2 ASN 550 -3.142 11.026 4.433 320 HD22 ASN 550 2HD2 ASN 550 -1.792 10.388 5.303 321 H GLN 551 H GLN 551 -6.138 5.875 2.671 322 HA GLN 551 HA GLN 551 -8.486 7.462 1.893 323 HB2 GLN 551 2HB GLN 551 -8.569 5.014 0.493 324 HB3 GLN 551 1HB GLN 551 -8.341 6.625 -0.165 325 HG2 GLN 551 2HG GLN 551 -6.393 5.887 -0.924 326 HG3 GLN 551 1HG GLN 551 -5.822 5.953 0.739 327 HE21 GLN 551 1HE2 GLN 551 -5.898 4.019 1.996 328 HE22 GLN 551 2HE2 GLN 551 -5.868 2.469 1.233 329 H ASP 552 H ASP 552 -7.992 3.997 2.134 330 HA ASP 552 HA ASP 552 -9.003 2.369 3.359 331 HB2 ASP 552 2HB ASP 552 -8.456 4.217 5.217 332 HB3 ASP 552 1HB ASP 552 -10.214 4.292 5.287 333 H GLY 553 H GLY 553 -10.376 4.031 1.282 334 HA2 GLY 553 2HA GLY 553 -13.130 3.210 1.952 335 HA3 GLY 553 1HA GLY 553 -12.803 4.759 1.188 336 H LEU 554 H LEU 554 -10.710 3.779 -0.517 337 HA LEU 554 HA LEU 554 -12.340 2.734 -2.653 338 HB2 LEU 554 2HB LEU 554 -10.323 3.028 -4.007 339 HB3 LEU 554 1HB LEU 554 -10.728 4.478 -3.110 340 HG LEU 554 HG LEU 554 -8.964 3.212 -1.407 341 HD11 LEU 554 1HD1 LEU 554 -8.640 1.800 -3.694 342 HD12 LEU 554 2HD1 LEU 554 -7.368 2.066 -2.505 343 HD13 LEU 554 3HD1 LEU 554 -7.464 3.090 -3.936 344 HD21 LEU 554 3HD2 LEU 554 -8.601 5.350 -3.492 345 HD22 LEU 554 1HD2 LEU 554 -7.318 4.903 -2.367 346 HD23 LEU 554 2HD2 LEU 554 -8.847 5.535 -1.756 347 H ILE 555 H ILE 555 -10.880 1.272 -0.139 348 HA ILE 555 HA ILE 555 -10.544 -1.231 -1.608 349 HB ILE 555 HB ILE 555 -8.542 -1.792 -0.292 350 HG12 ILE 555 2HG1 ILE 555 -8.928 -0.289 1.623 351 HG13 ILE 555 1HG1 ILE 555 -7.334 -0.066 0.933 352 HG21 ILE 555 1HG2 ILE 555 -7.316 0.477 -1.401 353 HG22 ILE 555 2HG2 ILE 555 -8.699 0.095 -2.428 354 HG23 ILE 555 3HG2 ILE 555 -7.470 -1.132 -2.108 355 HD11 ILE 555 3HD1 ILE 555 -9.534 1.811 1.173 356 HD12 ILE 555 1HD1 ILE 555 -8.777 1.787 -0.418 357 HD13 ILE 555 2HD1 ILE 555 -7.802 2.094 1.016 358 H CYS 556 H CYS 556 -10.765 0.393 1.512 359 HA CYS 556 HA CYS 556 -11.967 -2.029 2.640 360 HB2 CYS 556 2HB CYS 556 -9.839 -0.544 3.570 361 HB3 CYS 556 1HB CYS 556 -11.183 0.077 4.523 362 H GLY 557 H GLY 557 -14.100 -1.977 2.939 363 HA2 GLY 557 2HA GLY 557 -15.388 0.383 3.994 364 HA3 GLY 557 1HA GLY 557 -15.850 -0.002 2.345 365 H LEU 558 H LEU 558 -16.558 -2.341 2.015 366 HA LEU 558 HA LEU 558 -17.897 -3.388 4.400 367 HB2 LEU 558 2HB LEU 558 -19.968 -3.748 3.170 368 HB3 LEU 558 1HB LEU 558 -19.553 -2.048 3.239 369 HG LEU 558 HG LEU 558 -18.922 -3.738 0.831 370 HD11 LEU 558 1HD1 LEU 558 -21.457 -3.444 1.682 371 HD12 LEU 558 2HD1 LEU 558 -20.994 -3.532 -0.017 372 HD13 LEU 558 3HD1 LEU 558 -21.267 -1.964 0.742 373 HD21 LEU 558 3HD2 LEU 558 -17.835 -1.853 0.320 374 HD22 LEU 558 1HD2 LEU 558 -18.636 -0.935 1.595 375 HD23 LEU 558 2HD2 LEU 558 -19.433 -1.166 0.038 376 H ARG 559 H ARG 559 -17.011 -4.007 1.004 377 HA ARG 559 HA ARG 559 -15.774 -6.448 1.504 378 HB2 ARG 559 2HB ARG 559 -17.420 -8.062 0.689 379 HB3 ARG 559 1HB ARG 559 -18.026 -7.233 2.117 380 HG2 ARG 559 2HG ARG 559 -18.726 -5.929 -0.399 381 HG3 ARG 559 1HG ARG 559 -19.395 -7.555 -0.216 382 HD2 ARG 559 2HD ARG 559 -19.659 -5.322 1.794 383 HD3 ARG 559 1HD ARG 559 -20.902 -5.794 0.638 384 HE ARG 559 HE ARG 559 -20.164 -7.169 3.071 385 HH11 ARG 559 1HH1 ARG 559 -21.787 -7.404 -0.012 386 HH12 ARG 559 2HH1 ARG 559 -22.784 -8.732 0.475 387 HH21 ARG 559 1HH2 ARG 559 -21.474 -8.915 3.710 388 HH22 ARG 559 2HH2 ARG 559 -22.608 -9.590 2.587 389 H GLN 560 H GLN 560 -15.393 -4.200 -0.101 390 HA GLN 560 HA GLN 560 -15.751 -5.181 -2.836 391 HB2 GLN 560 2HB GLN 560 -15.416 -2.973 -3.597 392 HB3 GLN 560 1HB GLN 560 -16.436 -2.829 -2.174 393 HG2 GLN 560 2HG GLN 560 -13.778 -2.652 -1.274 394 HG3 GLN 560 1HG GLN 560 -13.897 -1.636 -2.709 395 HE21 GLN 560 1HE2 GLN 560 -15.492 -2.337 0.363 396 HE22 GLN 560 2HE2 GLN 560 -16.054 -0.728 0.640 Start of MODEL 12 1 H1 ALA 507 1HT ALA 507 -12.637 -9.715 -8.702 2 H2 ALA 507 2HT ALA 507 -13.282 -10.269 -7.212 3 H3 ALA 507 3HT ALA 507 -11.839 -9.339 -7.233 4 HA ALA 507 HA ALA 507 -12.908 -7.421 -7.762 5 HB1 ALA 507 1HB ALA 507 -14.765 -9.235 -9.049 6 HB2 ALA 507 2HB ALA 507 -14.413 -7.542 -9.398 7 HB3 ALA 507 3HB ALA 507 -15.597 -7.960 -8.158 8 H GLN 508 H GLN 508 -12.601 -9.113 -5.386 9 HA GLN 508 HA GLN 508 -14.322 -7.612 -3.636 10 HB2 GLN 508 2HB GLN 508 -14.809 -10.489 -4.196 11 HB3 GLN 508 1HB GLN 508 -14.918 -9.974 -2.519 12 HG2 GLN 508 2HG GLN 508 -16.433 -8.086 -3.549 13 HG3 GLN 508 1HG GLN 508 -16.633 -9.272 -4.839 14 HE21 GLN 508 1HE2 GLN 508 -17.107 -8.636 -1.433 15 HE22 GLN 508 2HE2 GLN 508 -18.298 -9.859 -1.172 16 HA PRO 509 HA PRO 509 -10.137 -9.118 -2.029 17 HB2 PRO 509 2HB PRO 509 -8.766 -6.801 -2.181 18 HB3 PRO 509 1HB PRO 509 -8.864 -7.926 -3.540 19 HG2 PRO 509 2HG PRO 509 -10.419 -5.414 -3.047 20 HG3 PRO 509 1HG PRO 509 -9.680 -5.995 -4.551 21 HD2 PRO 509 2HD PRO 509 -12.332 -6.264 -3.989 22 HD3 PRO 509 1HD PRO 509 -11.434 -7.406 -5.010 23 H LYS 510 H LYS 510 -10.139 -9.205 0.123 24 HA LYS 510 HA LYS 510 -11.586 -7.280 1.689 25 HB2 LYS 510 2HB LYS 510 -9.831 -9.510 2.712 26 HB3 LYS 510 1HB LYS 510 -11.144 -8.707 3.560 27 HG2 LYS 510 2HG LYS 510 -12.374 -10.452 2.921 28 HG3 LYS 510 1HG LYS 510 -12.409 -9.668 1.340 29 HD2 LYS 510 2HD LYS 510 -10.780 -11.066 0.468 30 HD3 LYS 510 1HD LYS 510 -10.142 -11.481 2.060 31 HE2 LYS 510 2HE LYS 510 -12.678 -12.428 2.248 32 HE3 LYS 510 1HE LYS 510 -12.351 -12.675 0.533 33 HZ1 LYS 510 3HZ LYS 510 -10.757 -13.710 2.814 34 HZ2 LYS 510 1HZ LYS 510 -10.294 -13.846 1.192 35 HZ3 LYS 510 2HZ LYS 510 -11.697 -14.616 1.738 36 H CYS 511 H CYS 511 -10.449 -5.343 1.385 37 HA CYS 511 HA CYS 511 -8.953 -3.718 1.908 38 HB2 CYS 511 2HB CYS 511 -8.051 -5.606 4.090 39 HB3 CYS 511 1HB CYS 511 -7.806 -3.862 4.037 40 H ASN 512 H ASN 512 -7.338 -3.275 0.612 41 HA ASN 512 HA ASN 512 -5.270 -5.298 0.172 42 HB2 ASN 512 2HB ASN 512 -5.871 -2.959 -1.632 43 HB3 ASN 512 1HB ASN 512 -4.848 -4.342 -1.978 44 HD21 ASN 512 1HD2 ASN 512 -8.195 -3.672 -0.951 45 HD22 ASN 512 2HD2 ASN 512 -8.914 -4.850 -1.978 46 HA PRO 513 HA PRO 513 -2.750 -1.473 1.236 47 HB2 PRO 513 2HB PRO 513 -3.814 0.975 0.810 48 HB3 PRO 513 1HB PRO 513 -3.237 -0.050 -0.509 49 HG2 PRO 513 2HG PRO 513 -5.957 0.736 0.074 50 HG3 PRO 513 1HG PRO 513 -5.352 -0.198 -1.303 51 HD2 PRO 513 2HD PRO 513 -6.525 -1.151 1.250 52 HD3 PRO 513 1HD PRO 513 -6.495 -1.928 -0.345 53 H ASN 514 H ASN 514 -5.348 -2.198 2.929 54 HA ASN 514 HA ASN 514 -4.857 -0.167 5.000 55 HB2 ASN 514 2HB ASN 514 -7.403 -1.299 3.939 56 HB3 ASN 514 1HB ASN 514 -7.319 -0.973 5.668 57 HD21 ASN 514 1HD2 ASN 514 -7.693 0.366 2.549 58 HD22 ASN 514 2HD2 ASN 514 -7.770 2.025 3.021 59 H LEU 515 H LEU 515 -3.196 -2.160 5.051 60 HA LEU 515 HA LEU 515 -4.239 -4.053 7.050 61 HB2 LEU 515 2HB LEU 515 -1.740 -4.810 5.726 62 HB3 LEU 515 1HB LEU 515 -3.157 -5.771 6.083 63 HG LEU 515 HG LEU 515 -2.860 -5.780 3.728 64 HD11 LEU 515 1HD1 LEU 515 -4.927 -4.000 3.252 65 HD12 LEU 515 2HD1 LEU 515 -5.159 -4.502 4.926 66 HD13 LEU 515 3HD1 LEU 515 -5.074 -5.711 3.646 67 HD21 LEU 515 3HD2 LEU 515 -1.799 -3.215 4.108 68 HD22 LEU 515 1HD2 LEU 515 -3.209 -3.005 3.069 69 HD23 LEU 515 2HD2 LEU 515 -1.923 -4.116 2.597 70 H HIS 516 H HIS 516 -1.003 -2.957 6.006 71 HA HIS 516 HA HIS 516 -0.475 -1.741 8.552 72 HB2 HIS 516 2HB HIS 516 0.995 -3.244 9.491 73 HB3 HIS 516 1HB HIS 516 -0.163 -4.339 8.742 74 HD1 HIS 516 1HD HIS 516 0.616 -5.620 6.632 75 HD2 HIS 516 2HD HIS 516 3.515 -3.205 8.354 76 HE1 HIS 516 1HE HIS 516 2.752 -6.217 5.467 77 HE2 HIS 516 2HE HIS 516 4.503 -4.729 6.502 78 H TYR 517 H TYR 517 1.238 -3.169 5.757 79 HA TYR 517 HA TYR 517 3.421 -1.470 5.705 80 HB2 TYR 517 2HB TYR 517 2.674 -1.987 2.987 81 HB3 TYR 517 1HB TYR 517 4.036 -2.606 3.893 82 HD1 TYR 517 2HD TYR 517 0.359 -3.398 4.244 83 HD2 TYR 517 1HD TYR 517 4.257 -4.785 3.238 84 HE1 TYR 517 2HE TYR 517 -0.523 -5.667 3.979 85 HE2 TYR 517 1HE TYR 517 3.373 -7.059 2.952 86 HH TYR 517 HH TYR 517 1.174 -8.134 2.453 87 H TRP 518 H TRP 518 0.240 -0.547 5.194 88 HA TRP 518 HA TRP 518 1.112 1.836 3.703 89 HB2 TRP 518 2HB TRP 518 -1.694 0.794 3.585 90 HB3 TRP 518 1HB TRP 518 -0.830 1.761 2.411 91 HD1 TRP 518 HD TRP 518 0.181 -1.680 3.830 92 HE1 TRP 518 1HE TRP 518 0.478 -3.282 1.886 93 HE3 TRP 518 3HE TRP 518 -1.279 1.399 0.031 94 HZ2 TRP 518 2HZ TRP 518 0.097 -3.295 -0.913 95 HZ3 TRP 518 3HZ TRP 518 -1.291 0.505 -2.261 96 HH2 TRP 518 HH TRP 518 -0.614 -1.795 -2.723 97 H THR 519 H THR 519 -1.191 0.500 5.972 98 HA THR 519 HA THR 519 -2.383 2.899 6.808 99 HB THR 519 HB THR 519 -3.303 0.648 7.264 100 HG1 THR 519 1HG THR 519 -3.800 2.562 8.590 101 HG21 THR 519 3HG2 THR 519 -2.277 -0.925 8.446 102 HG22 THR 519 1HG2 THR 519 -1.801 0.211 9.706 103 HG23 THR 519 2HG2 THR 519 -0.813 0.041 8.253 104 H THR 520 H THR 520 0.580 1.349 7.730 105 HA THR 520 HA THR 520 0.980 3.017 10.052 106 HB THR 520 HB THR 520 2.194 0.635 8.940 107 HG1 THR 520 1HG THR 520 1.249 1.062 11.082 108 HG21 THR 520 3HG2 THR 520 4.082 2.803 9.802 109 HG22 THR 520 1HG2 THR 520 4.162 1.780 8.367 110 HG23 THR 520 2HG2 THR 520 4.471 1.090 9.961 111 H GLN 521 H GLN 521 2.920 2.528 7.107 112 HA GLN 521 HA GLN 521 3.902 5.262 7.406 113 HB2 GLN 521 2HB GLN 521 5.784 4.637 6.134 114 HB3 GLN 521 1HB GLN 521 5.475 3.278 7.205 115 HG2 GLN 521 2HG GLN 521 4.763 1.916 5.492 116 HG3 GLN 521 1HG GLN 521 4.359 3.269 4.445 117 HE21 GLN 521 1HE2 GLN 521 6.426 4.737 4.057 118 HE22 GLN 521 2HE2 GLN 521 7.816 3.850 3.534 119 H ASP 522 H ASP 522 4.744 5.590 4.738 120 HA ASP 522 HA ASP 522 2.162 6.208 3.498 121 HB2 ASP 522 2HB ASP 522 4.868 7.433 3.394 122 HB3 ASP 522 1HB ASP 522 3.795 7.643 2.017 123 H GLU 523 H GLU 523 3.268 3.586 3.330 124 HA GLU 523 HA GLU 523 3.897 1.937 1.859 125 HB2 GLU 523 2HB GLU 523 2.386 3.510 -0.209 126 HB3 GLU 523 1HB GLU 523 2.499 1.766 -0.023 127 HG2 GLU 523 2HG GLU 523 0.850 1.683 1.478 128 HG3 GLU 523 1HG GLU 523 1.336 3.188 2.256 129 H GLY 524 H GLY 524 5.712 4.066 2.129 130 HA2 GLY 524 2HA GLY 524 7.803 3.666 0.638 131 HA3 GLY 524 1HA GLY 524 6.796 4.467 -0.562 132 H ALA 525 H ALA 525 5.532 6.314 1.113 133 HA ALA 525 HA ALA 525 5.797 8.437 1.865 134 HB1 ALA 525 1HB ALA 525 8.318 8.210 3.193 135 HB2 ALA 525 2HB ALA 525 7.329 6.783 3.502 136 HB3 ALA 525 3HB ALA 525 6.703 8.387 3.883 137 H ALA 526 H ALA 526 7.573 7.330 -0.541 138 HA ALA 526 HA ALA 526 9.141 8.152 -1.960 139 HB1 ALA 526 1HB ALA 526 8.369 10.938 -1.325 140 HB2 ALA 526 2HB ALA 526 7.095 9.853 -1.881 141 HB3 ALA 526 3HB ALA 526 8.518 10.131 -2.886 142 H ILE 527 H ILE 527 9.699 8.118 1.072 143 HA ILE 527 HA ILE 527 11.409 10.175 1.782 144 HB ILE 527 HB ILE 527 12.614 8.150 3.052 145 HG12 ILE 527 2HG1 ILE 527 11.107 6.359 3.568 146 HG13 ILE 527 1HG1 ILE 527 9.815 7.110 2.641 147 HG21 ILE 527 1HG2 ILE 527 10.512 8.427 4.680 148 HG22 ILE 527 2HG2 ILE 527 10.236 9.792 3.598 149 HG23 ILE 527 3HG2 ILE 527 11.756 9.660 4.482 150 HD11 ILE 527 3HD1 ILE 527 12.361 6.314 1.303 151 HD12 ILE 527 1HD1 ILE 527 10.747 6.505 0.619 152 HD13 ILE 527 2HD1 ILE 527 11.109 5.120 1.644 153 H GLY 528 H GLY 528 11.948 7.584 -0.461 154 HA2 GLY 528 2HA GLY 528 14.198 8.729 -1.615 155 HA3 GLY 528 1HA GLY 528 14.795 7.618 -0.394 156 H LEU 529 H LEU 529 13.189 5.478 -0.578 157 HA LEU 529 HA LEU 529 12.596 3.637 -1.782 158 HB2 LEU 529 2HB LEU 529 12.985 5.470 -4.123 159 HB3 LEU 529 1HB LEU 529 12.554 3.786 -4.302 160 HG LEU 529 HG LEU 529 10.439 4.118 -3.264 161 HD11 LEU 529 1HD1 LEU 529 11.423 6.886 -2.590 162 HD12 LEU 529 2HD1 LEU 529 11.079 5.578 -1.458 163 HD13 LEU 529 3HD1 LEU 529 9.765 6.323 -2.368 164 HD21 LEU 529 3HD2 LEU 529 9.908 4.770 -5.341 165 HD22 LEU 529 1HD2 LEU 529 11.288 5.861 -5.457 166 HD23 LEU 529 2HD2 LEU 529 9.813 6.386 -4.644 167 H ALA 530 H ALA 530 15.553 5.264 -2.191 168 HA ALA 530 HA ALA 530 16.828 3.118 -3.609 169 HB1 ALA 530 1HB ALA 530 18.929 4.363 -3.153 170 HB2 ALA 530 2HB ALA 530 17.996 5.514 -2.195 171 HB3 ALA 530 3HB ALA 530 17.689 5.352 -3.924 172 H TRP 531 H TRP 531 16.306 4.065 -0.355 173 HA TRP 531 HA TRP 531 18.214 2.480 0.986 174 HB2 TRP 531 2HB TRP 531 16.813 2.911 2.958 175 HB3 TRP 531 1HB TRP 531 16.976 4.382 2.004 176 HD1 TRP 531 HD TRP 531 14.796 4.221 -0.071 177 HE1 TRP 531 1HE TRP 531 12.332 4.147 0.525 178 HE3 TRP 531 3HE TRP 531 15.188 2.545 4.741 179 HZ2 TRP 531 2HZ TRP 531 10.710 3.480 2.756 180 HZ3 TRP 531 3HZ TRP 531 13.124 2.218 6.041 181 HH2 TRP 531 HH TRP 531 10.932 2.677 5.067 182 H ILE 532 H ILE 532 15.350 1.707 -0.691 183 HA ILE 532 HA ILE 532 15.246 -0.946 0.562 184 HB ILE 532 HB ILE 532 12.804 -0.881 -0.171 185 HG12 ILE 532 2HG1 ILE 532 13.545 2.029 -0.438 186 HG13 ILE 532 1HG1 ILE 532 12.760 1.005 -1.628 187 HG21 ILE 532 1HG2 ILE 532 13.490 -0.786 2.148 188 HG22 ILE 532 2HG2 ILE 532 12.159 0.343 1.885 189 HG23 ILE 532 3HG2 ILE 532 13.817 0.943 2.003 190 HD11 ILE 532 3HD1 ILE 532 10.749 0.948 -0.298 191 HD12 ILE 532 1HD1 ILE 532 11.234 2.619 -0.582 192 HD13 ILE 532 2HD1 ILE 532 11.541 1.866 0.982 193 HA PRO 533 HA PRO 533 16.485 -1.156 -4.043 194 HB2 PRO 533 2HB PRO 533 17.791 -3.506 -2.742 195 HB3 PRO 533 1HB PRO 533 18.392 -2.455 -4.031 196 HG2 PRO 533 2HG PRO 533 19.264 -2.181 -1.528 197 HG3 PRO 533 1HG PRO 533 18.985 -0.768 -2.562 198 HD2 PRO 533 2HD PRO 533 17.389 -1.783 -0.271 199 HD3 PRO 533 1HD PRO 533 17.598 -0.124 -0.860 200 H TYR 534 H TYR 534 15.376 -3.612 -1.726 201 HA TYR 534 HA TYR 534 13.865 -4.864 -3.928 202 HB2 TYR 534 2HB TYR 534 14.048 -6.991 -2.624 203 HB3 TYR 534 1HB TYR 534 15.586 -6.379 -3.226 204 HD1 TYR 534 1HD TYR 534 13.445 -6.115 -0.158 205 HD2 TYR 534 2HD TYR 534 17.373 -6.395 -1.775 206 HE1 TYR 534 1HE TYR 534 14.371 -6.194 2.116 207 HE2 TYR 534 2HE TYR 534 18.307 -6.475 0.497 208 HH TYR 534 HH TYR 534 17.528 -7.120 2.788 209 H PHE 535 H PHE 535 13.379 -2.905 -1.419 210 HA PHE 535 HA PHE 535 10.910 -4.257 -0.563 211 HB2 PHE 535 2HB PHE 535 12.330 -3.908 1.307 212 HB3 PHE 535 1HB PHE 535 12.670 -2.256 0.843 213 HD1 PHE 535 2HD PHE 535 10.730 -0.595 0.892 214 HD2 PHE 535 1HD PHE 535 10.623 -4.397 2.796 215 HE1 PHE 535 2HE PHE 535 8.913 0.194 2.347 216 HE2 PHE 535 1HE PHE 535 8.803 -3.615 4.260 217 HZ PHE 535 HZ PHE 535 7.951 -1.314 4.035 218 H GLY 536 H GLY 536 12.230 -1.402 -2.021 219 HA2 GLY 536 2HA GLY 536 9.526 -0.206 -2.109 220 HA3 GLY 536 1HA GLY 536 11.015 0.713 -2.224 221 HA PRO 537 HA PRO 537 10.891 1.023 -6.615 222 HB2 PRO 537 2HB PRO 537 13.544 -0.361 -6.509 223 HB3 PRO 537 1HB PRO 537 13.069 1.086 -7.406 224 HG2 PRO 537 2HG PRO 537 14.473 1.230 -5.113 225 HG3 PRO 537 1HG PRO 537 13.285 2.461 -5.570 226 HD2 PRO 537 2HD PRO 537 13.150 0.423 -3.459 227 HD3 PRO 537 1HD PRO 537 12.234 1.928 -3.629 228 H ALA 538 H ALA 538 12.249 -2.012 -5.353 229 HA ALA 538 HA ALA 538 11.445 -3.564 -7.618 230 HB1 ALA 538 1HB ALA 538 13.358 -4.091 -6.046 231 HB2 ALA 538 2HB ALA 538 12.296 -5.439 -6.453 232 HB3 ALA 538 3HB ALA 538 12.139 -4.634 -4.892 233 H ALA 539 H ALA 539 10.103 -2.832 -4.464 234 HA ALA 539 HA ALA 539 8.072 -4.743 -4.330 235 HB1 ALA 539 1HB ALA 539 8.066 -3.718 -2.344 236 HB2 ALA 539 2HB ALA 539 6.975 -2.557 -3.101 237 HB3 ALA 539 3HB ALA 539 8.702 -2.217 -3.015 238 H GLU 540 H GLU 540 5.786 -4.493 -4.684 239 HA GLU 540 HA GLU 540 5.047 -2.533 -6.742 240 HB2 GLU 540 2HB GLU 540 4.300 -5.462 -6.836 241 HB3 GLU 540 1HB GLU 540 3.853 -4.231 -8.010 242 HG2 GLU 540 2HG GLU 540 5.912 -4.194 -8.970 243 HG3 GLU 540 1HG GLU 540 6.738 -4.647 -7.479 244 H GLY 541 H GLY 541 4.101 -4.714 -4.184 245 HA2 GLY 541 2HA GLY 541 1.538 -3.267 -3.941 246 HA3 GLY 541 1HA GLY 541 1.741 -4.960 -3.505 247 H ILE 542 H ILE 542 4.010 -2.369 -2.853 248 HA ILE 542 HA ILE 542 3.262 -2.259 -0.040 249 HB ILE 542 HB ILE 542 6.159 -2.694 -0.620 250 HG12 ILE 542 2HG1 ILE 542 5.685 -5.174 -0.038 251 HG13 ILE 542 1HG1 ILE 542 4.045 -4.829 -0.584 252 HG21 ILE 542 1HG2 ILE 542 5.635 -3.957 1.697 253 HG22 ILE 542 2HG2 ILE 542 4.334 -2.768 1.696 254 HG23 ILE 542 3HG2 ILE 542 6.012 -2.238 1.586 255 HD11 ILE 542 3HD1 ILE 542 4.834 -5.440 -2.586 256 HD12 ILE 542 1HD1 ILE 542 6.512 -5.175 -2.118 257 HD13 ILE 542 2HD1 ILE 542 5.517 -3.810 -2.631 258 H TYR 543 H TYR 543 5.262 -1.196 -2.719 259 HA TYR 543 HA TYR 543 5.810 1.314 -1.378 260 HB2 TYR 543 2HB TYR 543 7.727 1.336 -2.553 261 HB3 TYR 543 1HB TYR 543 7.400 -0.365 -2.808 262 HD1 TYR 543 2HD TYR 543 5.879 -0.889 -4.884 263 HD2 TYR 543 1HD TYR 543 8.173 2.658 -4.396 264 HE1 TYR 543 2HE TYR 543 5.840 -0.539 -7.308 265 HE2 TYR 543 1HE TYR 543 8.151 3.022 -6.822 266 HH TYR 543 HH TYR 543 7.257 0.659 -9.027 267 H ILE 544 H ILE 544 4.183 -0.106 -4.109 268 HA ILE 544 HA ILE 544 3.006 0.773 -5.881 269 HB ILE 544 HB ILE 544 1.538 2.244 -3.728 270 HG12 ILE 544 2HG1 ILE 544 0.342 -0.111 -3.563 271 HG13 ILE 544 1HG1 ILE 544 1.935 -0.696 -4.032 272 HG21 ILE 544 1HG2 ILE 544 0.793 0.850 -6.278 273 HG22 ILE 544 2HG2 ILE 544 0.549 2.539 -5.836 274 HG23 ILE 544 3HG2 ILE 544 -0.406 1.278 -5.058 275 HD11 ILE 544 3HD1 ILE 544 1.768 -0.739 -1.652 276 HD12 ILE 544 1HD1 ILE 544 1.236 0.941 -1.608 277 HD13 ILE 544 2HD1 ILE 544 2.880 0.549 -2.101 278 H GLU 545 H GLU 545 2.877 3.503 -3.639 279 HA GLU 545 HA GLU 545 3.367 5.707 -3.864 280 HB2 GLU 545 2HB GLU 545 4.903 4.974 -6.351 281 HB3 GLU 545 1HB GLU 545 5.130 6.385 -5.322 282 HG2 GLU 545 2HG GLU 545 5.647 4.708 -3.467 283 HG3 GLU 545 1HG GLU 545 5.820 3.528 -4.763 284 H GLY 546 H GLY 546 1.363 6.474 -4.255 285 HA2 GLY 546 2HA GLY 546 0.585 8.044 -6.171 286 HA3 GLY 546 1HA GLY 546 0.394 6.522 -7.025 287 H LEU 547 H LEU 547 -0.328 5.577 -4.049 288 HA LEU 547 HA LEU 547 -3.132 6.500 -4.171 289 HB2 LEU 547 2HB LEU 547 -3.975 4.365 -3.979 290 HB3 LEU 547 1HB LEU 547 -2.611 4.133 -5.054 291 HG LEU 547 HG LEU 547 -2.610 3.554 -2.091 292 HD11 LEU 547 1HD1 LEU 547 -3.831 2.074 -4.007 293 HD12 LEU 547 2HD1 LEU 547 -3.131 1.414 -2.528 294 HD13 LEU 547 3HD1 LEU 547 -2.207 1.386 -4.031 295 HD21 LEU 547 3HD2 LEU 547 -0.440 2.394 -2.732 296 HD22 LEU 547 1HD2 LEU 547 -0.419 4.158 -2.683 297 HD23 LEU 547 2HD2 LEU 547 -0.517 3.320 -4.231 298 H MET 548 H MET 548 -0.420 6.396 -2.357 299 HA MET 548 HA MET 548 -1.461 5.694 0.194 300 HB2 MET 548 2HB MET 548 0.852 7.498 0.256 301 HB3 MET 548 1HB MET 548 0.656 5.900 0.951 302 HG2 MET 548 2HG MET 548 2.183 5.275 -0.530 303 HG3 MET 548 1HG MET 548 0.884 5.332 -1.713 304 HE1 MET 548 3HE MET 548 0.336 8.397 -1.565 305 HE2 MET 548 1HE MET 548 0.493 7.861 -3.237 306 HE3 MET 548 2HE MET 548 1.418 9.250 -2.665 307 H HIS 549 H HIS 549 -3.347 6.932 0.364 308 HA HIS 549 HA HIS 549 -2.847 9.734 1.099 309 HB2 HIS 549 2HB HIS 549 -5.454 8.936 -0.130 310 HB3 HIS 549 1HB HIS 549 -4.684 10.516 -0.087 311 HD1 HIS 549 1HD HIS 549 -5.763 8.610 -2.576 312 HD2 HIS 549 2HD HIS 549 -1.881 9.717 -1.598 313 HE1 HIS 549 1HE HIS 549 -4.448 8.385 -4.703 314 HE2 HIS 549 2HE HIS 549 -2.080 8.967 -4.066 315 H ASN 550 H ASN 550 -5.122 7.029 1.299 316 HA ASN 550 HA ASN 550 -5.278 6.755 4.008 317 HB2 ASN 550 2HB ASN 550 -6.647 9.164 3.144 318 HB3 ASN 550 1HB ASN 550 -7.760 8.045 3.923 319 HD21 ASN 550 1HD2 ASN 550 -6.866 10.611 4.865 320 HD22 ASN 550 2HD2 ASN 550 -6.083 10.341 6.382 321 H GLN 551 H GLN 551 -8.008 7.392 1.833 322 HA GLN 551 HA GLN 551 -9.675 6.065 1.046 323 HB2 GLN 551 2HB GLN 551 -8.018 3.617 1.113 324 HB3 GLN 551 1HB GLN 551 -8.981 4.279 -0.194 325 HG2 GLN 551 2HG GLN 551 -7.012 4.741 -1.131 326 HG3 GLN 551 1HG GLN 551 -6.987 6.113 -0.027 327 HE21 GLN 551 1HE2 GLN 551 -6.538 2.680 0.743 328 HE22 GLN 551 2HE2 GLN 551 -4.918 2.850 1.313 329 H ASP 552 H ASP 552 -9.914 3.196 1.487 330 HA ASP 552 HA ASP 552 -10.216 1.638 3.248 331 HB2 ASP 552 2HB ASP 552 -9.489 3.354 4.977 332 HB3 ASP 552 1HB ASP 552 -11.150 3.937 4.979 333 H GLY 553 H GLY 553 -11.795 3.034 1.151 334 HA2 GLY 553 2HA GLY 553 -14.412 1.977 1.948 335 HA3 GLY 553 1HA GLY 553 -14.325 3.615 1.310 336 H LEU 554 H LEU 554 -11.927 1.971 -0.158 337 HA LEU 554 HA LEU 554 -13.584 1.051 -2.408 338 HB2 LEU 554 2HB LEU 554 -11.677 1.852 -3.855 339 HB3 LEU 554 1HB LEU 554 -12.649 3.109 -3.113 340 HG LEU 554 HG LEU 554 -10.566 2.662 -1.290 341 HD11 LEU 554 1HD1 LEU 554 -9.180 3.178 -3.850 342 HD12 LEU 554 2HD1 LEU 554 -9.625 1.507 -3.501 343 HD13 LEU 554 3HD1 LEU 554 -8.603 2.402 -2.375 344 HD21 LEU 554 3HD2 LEU 554 -10.183 4.848 -3.212 345 HD22 LEU 554 1HD2 LEU 554 -10.363 4.892 -1.458 346 HD23 LEU 554 2HD2 LEU 554 -11.789 4.775 -2.488 347 H ILE 555 H ILE 555 -11.604 0.124 -0.027 348 HA ILE 555 HA ILE 555 -10.659 -2.237 -1.449 349 HB ILE 555 HB ILE 555 -8.431 -2.041 -0.395 350 HG12 ILE 555 2HG1 ILE 555 -9.084 -0.551 1.470 351 HG13 ILE 555 1HG1 ILE 555 -7.703 0.055 0.585 352 HG21 ILE 555 1HG2 ILE 555 -9.273 -0.861 -2.684 353 HG22 ILE 555 2HG2 ILE 555 -7.590 -0.969 -2.164 354 HG23 ILE 555 3HG2 ILE 555 -8.523 0.496 -1.840 355 HD11 ILE 555 3HD1 ILE 555 -10.300 1.248 0.983 356 HD12 ILE 555 1HD1 ILE 555 -9.779 1.248 -0.700 357 HD13 ILE 555 2HD1 ILE 555 -8.761 1.981 0.535 358 H CYS 556 H CYS 556 -10.992 -0.477 1.580 359 HA CYS 556 HA CYS 556 -11.304 -3.022 3.004 360 HB2 CYS 556 2HB CYS 556 -9.364 -1.249 3.465 361 HB3 CYS 556 1HB CYS 556 -10.623 -0.492 4.428 362 H GLY 557 H GLY 557 -13.147 -3.343 4.164 363 HA2 GLY 557 2HA GLY 557 -15.321 -3.020 4.840 364 HA3 GLY 557 1HA GLY 557 -14.734 -1.469 5.418 365 H LEU 558 H LEU 558 -15.679 -3.022 2.360 366 HA LEU 558 HA LEU 558 -17.399 -0.743 1.784 367 HB2 LEU 558 2HB LEU 558 -16.580 -0.563 -0.508 368 HB3 LEU 558 1HB LEU 558 -15.314 -0.222 0.654 369 HG LEU 558 HG LEU 558 -15.568 -2.938 -0.605 370 HD11 LEU 558 1HD1 LEU 558 -14.762 -0.442 -1.873 371 HD12 LEU 558 2HD1 LEU 558 -15.147 -2.008 -2.587 372 HD13 LEU 558 3HD1 LEU 558 -13.531 -1.703 -1.952 373 HD21 LEU 558 3HD2 LEU 558 -13.096 -2.900 -0.154 374 HD22 LEU 558 1HD2 LEU 558 -14.121 -2.895 1.281 375 HD23 LEU 558 2HD2 LEU 558 -13.357 -1.402 0.739 376 H ARG 559 H ARG 559 -16.306 -3.963 0.796 377 HA ARG 559 HA ARG 559 -18.719 -5.248 0.883 378 HB2 ARG 559 2HB ARG 559 -19.451 -5.349 -1.463 379 HB3 ARG 559 1HB ARG 559 -19.528 -3.705 -0.846 380 HG2 ARG 559 2HG ARG 559 -16.986 -4.407 -2.107 381 HG3 ARG 559 1HG ARG 559 -18.379 -4.436 -3.194 382 HD2 ARG 559 2HD ARG 559 -18.744 -2.115 -1.752 383 HD3 ARG 559 1HD ARG 559 -16.997 -2.181 -1.972 384 HE ARG 559 HE ARG 559 -17.935 -2.688 -4.451 385 HH11 ARG 559 1HH1 ARG 559 -18.604 -0.163 -2.136 386 HH12 ARG 559 2HH1 ARG 559 -18.960 1.024 -3.345 387 HH21 ARG 559 1HH2 ARG 559 -18.402 -1.127 -6.043 388 HH22 ARG 559 2HH2 ARG 559 -18.846 0.477 -5.563 389 H GLN 560 H GLN 560 -15.963 -5.685 1.239 390 HA GLN 560 HA GLN 560 -15.432 -7.847 -0.672 391 HB2 GLN 560 2HB GLN 560 -13.032 -7.568 0.198 392 HB3 GLN 560 1HB GLN 560 -13.672 -6.341 -0.883 393 HG2 GLN 560 2HG GLN 560 -12.360 -5.489 1.067 394 HG3 GLN 560 1HG GLN 560 -13.968 -4.800 0.867 395 HE21 GLN 560 1HE2 GLN 560 -15.042 -4.580 2.666 396 HE22 GLN 560 2HE2 GLN 560 -14.901 -5.557 4.080 Start of MODEL 13 1 H1 ALA 507 1HT ALA 507 -10.286 -12.009 -7.370 2 H2 ALA 507 2HT ALA 507 -10.928 -11.969 -5.778 3 H3 ALA 507 3HT ALA 507 -10.423 -10.515 -6.540 4 HA ALA 507 HA ALA 507 -12.115 -11.040 -8.285 5 HB1 ALA 507 1HB ALA 507 -12.784 -13.029 -6.155 6 HB2 ALA 507 2HB ALA 507 -12.720 -13.241 -7.905 7 HB3 ALA 507 3HB ALA 507 -14.053 -12.348 -7.174 8 H GLN 508 H GLN 508 -12.221 -10.731 -4.761 9 HA GLN 508 HA GLN 508 -13.134 -8.068 -4.835 10 HB2 GLN 508 2HB GLN 508 -15.405 -8.478 -3.818 11 HB3 GLN 508 1HB GLN 508 -15.260 -8.892 -5.520 12 HG2 GLN 508 2HG GLN 508 -15.105 -11.229 -4.995 13 HG3 GLN 508 1HG GLN 508 -15.062 -10.877 -3.268 14 HE21 GLN 508 1HE2 GLN 508 -16.952 -10.210 -2.230 15 HE22 GLN 508 2HE2 GLN 508 -18.512 -10.449 -2.932 16 HA PRO 509 HA PRO 509 -11.370 -9.758 -0.842 17 HB2 PRO 509 2HB PRO 509 -9.275 -7.758 -1.213 18 HB3 PRO 509 1HB PRO 509 -9.124 -9.504 -1.008 19 HG2 PRO 509 2HG PRO 509 -8.585 -8.255 -3.349 20 HG3 PRO 509 1HG PRO 509 -9.216 -9.910 -3.266 21 HD2 PRO 509 2HD PRO 509 -10.669 -7.354 -3.843 22 HD3 PRO 509 1HD PRO 509 -10.837 -8.945 -4.617 23 H LYS 510 H LYS 510 -10.692 -8.413 1.112 24 HA LYS 510 HA LYS 510 -12.198 -5.881 1.172 25 HB2 LYS 510 2HB LYS 510 -11.930 -7.710 3.547 26 HB3 LYS 510 1HB LYS 510 -13.059 -6.384 3.314 27 HG2 LYS 510 2HG LYS 510 -14.575 -7.766 2.489 28 HG3 LYS 510 1HG LYS 510 -13.450 -8.319 1.248 29 HD2 LYS 510 2HD LYS 510 -13.203 -9.369 4.034 30 HD3 LYS 510 1HD LYS 510 -14.456 -10.013 2.971 31 HE2 LYS 510 2HE LYS 510 -12.847 -10.741 1.380 32 HE3 LYS 510 1HE LYS 510 -11.554 -9.856 2.187 33 HZ1 LYS 510 3HZ LYS 510 -12.723 -12.433 2.838 34 HZ2 LYS 510 1HZ LYS 510 -12.367 -11.437 4.160 35 HZ3 LYS 510 2HZ LYS 510 -11.146 -11.867 3.072 36 H CYS 511 H CYS 511 -11.019 -4.166 1.741 37 HA CYS 511 HA CYS 511 -9.291 -2.884 2.483 38 HB2 CYS 511 2HB CYS 511 -10.120 -4.348 4.636 39 HB3 CYS 511 1HB CYS 511 -8.412 -4.772 4.570 40 H ASN 512 H ASN 512 -7.836 -2.959 0.844 41 HA ASN 512 HA ASN 512 -5.957 -5.190 0.758 42 HB2 ASN 512 2HB ASN 512 -6.287 -3.066 -1.349 43 HB3 ASN 512 1HB ASN 512 -5.463 -4.611 -1.498 44 HD21 ASN 512 1HD2 ASN 512 -8.655 -3.239 -0.771 45 HD22 ASN 512 2HD2 ASN 512 -9.554 -4.488 -1.552 46 HA PRO 513 HA PRO 513 -2.994 -1.569 1.225 47 HB2 PRO 513 2HB PRO 513 -3.847 0.928 0.603 48 HB3 PRO 513 1HB PRO 513 -3.409 -0.271 -0.613 49 HG2 PRO 513 2HG PRO 513 -6.019 0.823 -0.058 50 HG3 PRO 513 1HG PRO 513 -5.546 -0.300 -1.340 51 HD2 PRO 513 2HD PRO 513 -6.746 -0.870 1.305 52 HD3 PRO 513 1HD PRO 513 -6.805 -1.812 -0.197 53 H ASN 514 H ASN 514 -5.565 -1.805 3.120 54 HA ASN 514 HA ASN 514 -4.635 0.278 4.978 55 HB2 ASN 514 2HB ASN 514 -7.397 -0.426 4.113 56 HB3 ASN 514 1HB ASN 514 -7.167 -0.029 5.813 57 HD21 ASN 514 1HD2 ASN 514 -7.315 1.158 2.598 58 HD22 ASN 514 2HD2 ASN 514 -7.135 2.834 2.969 59 H LEU 515 H LEU 515 -3.303 -1.860 5.241 60 HA LEU 515 HA LEU 515 -4.604 -3.466 7.335 61 HB2 LEU 515 2HB LEU 515 -2.249 -4.667 6.081 62 HB3 LEU 515 1HB LEU 515 -3.796 -5.379 6.479 63 HG LEU 515 HG LEU 515 -3.467 -5.572 4.125 64 HD11 LEU 515 1HD1 LEU 515 -5.303 -3.619 3.500 65 HD12 LEU 515 2HD1 LEU 515 -5.591 -3.924 5.213 66 HD13 LEU 515 3HD1 LEU 515 -5.661 -5.251 4.054 67 HD21 LEU 515 3HD2 LEU 515 -3.474 -2.798 3.338 68 HD22 LEU 515 1HD2 LEU 515 -2.364 -4.093 2.888 69 HD23 LEU 515 2HD2 LEU 515 -2.082 -3.163 4.359 70 H HIS 516 H HIS 516 -1.414 -2.333 6.199 71 HA HIS 516 HA HIS 516 -0.663 -1.258 8.680 72 HB2 HIS 516 2HB HIS 516 0.601 -2.872 9.727 73 HB3 HIS 516 1HB HIS 516 -0.665 -3.872 9.018 74 HD1 HIS 516 1HD HIS 516 0.003 -5.446 7.109 75 HD2 HIS 516 2HD HIS 516 3.093 -3.055 8.492 76 HE1 HIS 516 1HE HIS 516 2.059 -6.284 5.945 77 HE2 HIS 516 2HE HIS 516 3.934 -4.828 6.796 78 H TYR 517 H TYR 517 0.874 -3.081 6.011 79 HA TYR 517 HA TYR 517 3.240 -1.666 5.859 80 HB2 TYR 517 2HB TYR 517 2.489 -2.285 3.174 81 HB3 TYR 517 1HB TYR 517 3.713 -3.035 4.174 82 HD1 TYR 517 2HD TYR 517 -0.041 -3.238 4.503 83 HD2 TYR 517 1HD TYR 517 3.605 -5.253 3.616 84 HE1 TYR 517 2HE TYR 517 -1.251 -5.366 4.374 85 HE2 TYR 517 1HE TYR 517 2.391 -7.385 3.468 86 HH TYR 517 HH TYR 517 0.328 -8.388 4.259 87 H TRP 518 H TRP 518 0.162 -0.474 5.114 88 HA TRP 518 HA TRP 518 1.368 1.725 3.577 89 HB2 TRP 518 2HB TRP 518 -1.526 1.048 3.278 90 HB3 TRP 518 1HB TRP 518 -0.427 1.748 2.115 91 HD1 TRP 518 HD TRP 518 0.268 -1.627 3.803 92 HE1 TRP 518 1HE TRP 518 0.264 -3.424 2.036 93 HE3 TRP 518 3HE TRP 518 -1.305 1.163 -0.173 94 HZ2 TRP 518 2HZ TRP 518 -0.355 -3.700 -0.705 95 HZ3 TRP 518 3HZ TRP 518 -1.589 0.039 -2.344 96 HH2 TRP 518 HH TRP 518 -1.119 -2.342 -2.606 97 H THR 519 H THR 519 -1.228 0.754 5.725 98 HA THR 519 HA THR 519 -2.148 3.335 6.391 99 HB THR 519 HB THR 519 -3.579 1.481 6.804 100 HG1 THR 519 1HG THR 519 -3.963 1.707 9.063 101 HG21 THR 519 3HG2 THR 519 -2.441 0.120 8.981 102 HG22 THR 519 1HG2 THR 519 -1.204 0.200 7.724 103 HG23 THR 519 2HG2 THR 519 -2.785 -0.496 7.366 104 H THR 520 H THR 520 0.517 1.443 7.537 105 HA THR 520 HA THR 520 0.842 2.960 9.964 106 HB THR 520 HB THR 520 1.601 0.468 9.316 107 HG1 THR 520 1HG THR 520 3.075 2.079 11.112 108 HG21 THR 520 3HG2 THR 520 4.096 2.104 8.907 109 HG22 THR 520 1HG2 THR 520 3.360 0.964 7.778 110 HG23 THR 520 2HG2 THR 520 4.078 0.379 9.278 111 H GLN 521 H GLN 521 2.815 2.593 7.016 112 HA GLN 521 HA GLN 521 4.110 5.122 7.687 113 HB2 GLN 521 2HB GLN 521 5.931 4.474 6.363 114 HB3 GLN 521 1HB GLN 521 5.448 3.012 7.212 115 HG2 GLN 521 2HG GLN 521 4.608 2.025 5.300 116 HG3 GLN 521 1HG GLN 521 4.440 3.561 4.460 117 HE21 GLN 521 1HE2 GLN 521 6.560 4.739 4.070 118 HE22 GLN 521 2HE2 GLN 521 7.897 3.764 3.570 119 H ASP 522 H ASP 522 5.007 5.760 5.121 120 HA ASP 522 HA ASP 522 2.520 6.783 3.966 121 HB2 ASP 522 2HB ASP 522 5.312 7.770 4.098 122 HB3 ASP 522 1HB ASP 522 4.316 8.269 2.738 123 H GLU 523 H GLU 523 3.341 4.142 3.414 124 HA GLU 523 HA GLU 523 3.853 2.674 1.727 125 HB2 GLU 523 2HB GLU 523 2.178 4.801 0.452 126 HB3 GLU 523 1HB GLU 523 2.797 3.468 -0.515 127 HG2 GLU 523 2HG GLU 523 1.680 1.870 0.839 128 HG3 GLU 523 1HG GLU 523 1.209 3.108 2.001 129 H GLY 524 H GLY 524 6.107 3.253 2.030 130 HA2 GLY 524 2HA GLY 524 8.108 3.331 0.783 131 HA3 GLY 524 1HA GLY 524 7.245 4.191 -0.488 132 H ALA 525 H ALA 525 6.025 5.919 1.686 133 HA ALA 525 HA ALA 525 6.387 7.995 2.480 134 HB1 ALA 525 1HB ALA 525 8.049 6.300 3.822 135 HB2 ALA 525 2HB ALA 525 7.708 7.970 4.275 136 HB3 ALA 525 3HB ALA 525 9.137 7.591 3.312 137 H ALA 526 H ALA 526 7.667 7.161 -0.278 138 HA ALA 526 HA ALA 526 8.961 8.126 -1.877 139 HB1 ALA 526 1HB ALA 526 8.374 10.831 -0.826 140 HB2 ALA 526 2HB ALA 526 6.997 9.809 -1.239 141 HB3 ALA 526 3HB ALA 526 8.210 10.191 -2.462 142 H ILE 527 H ILE 527 10.064 7.768 0.974 143 HA ILE 527 HA ILE 527 11.911 9.739 1.571 144 HB ILE 527 HB ILE 527 13.277 7.620 2.428 145 HG12 ILE 527 2HG1 ILE 527 11.867 5.756 3.000 146 HG13 ILE 527 1HG1 ILE 527 10.452 6.560 2.336 147 HG21 ILE 527 1HG2 ILE 527 10.775 8.775 3.617 148 HG22 ILE 527 2HG2 ILE 527 12.440 9.289 3.890 149 HG23 ILE 527 3HG2 ILE 527 11.886 7.729 4.501 150 HD11 ILE 527 3HD1 ILE 527 12.783 5.994 0.573 151 HD12 ILE 527 1HD1 ILE 527 11.073 6.139 0.165 152 HD13 ILE 527 2HD1 ILE 527 11.663 4.697 0.993 153 H GLY 528 H GLY 528 11.943 7.452 -1.013 154 HA2 GLY 528 2HA GLY 528 13.810 8.605 -2.575 155 HA3 GLY 528 1HA GLY 528 14.800 7.676 -1.464 156 H LEU 529 H LEU 529 12.930 5.477 -1.249 157 HA LEU 529 HA LEU 529 12.402 3.497 -2.233 158 HB2 LEU 529 2HB LEU 529 12.032 5.456 -4.350 159 HB3 LEU 529 1HB LEU 529 12.519 3.898 -4.983 160 HG LEU 529 HG LEU 529 10.048 4.571 -3.408 161 HD11 LEU 529 1HD1 LEU 529 9.724 2.903 -5.721 162 HD12 LEU 529 2HD1 LEU 529 10.631 4.357 -6.139 163 HD13 LEU 529 3HD1 LEU 529 9.043 4.494 -5.382 164 HD21 LEU 529 3HD2 LEU 529 9.666 2.007 -3.759 165 HD22 LEU 529 1HD2 LEU 529 10.573 2.593 -2.362 166 HD23 LEU 529 2HD2 LEU 529 11.429 1.959 -3.766 167 H ALA 530 H ALA 530 14.758 5.113 -4.278 168 HA ALA 530 HA ALA 530 16.165 2.664 -4.740 169 HB1 ALA 530 1HB ALA 530 17.031 5.445 -5.474 170 HB2 ALA 530 2HB ALA 530 15.982 4.425 -6.458 171 HB3 ALA 530 3HB ALA 530 17.643 3.930 -6.132 172 H TRP 531 H TRP 531 16.126 3.022 -2.069 173 HA TRP 531 HA TRP 531 18.912 3.714 -1.410 174 HB2 TRP 531 2HB TRP 531 17.992 4.083 0.952 175 HB3 TRP 531 1HB TRP 531 17.538 5.288 -0.252 176 HD1 TRP 531 HD TRP 531 15.103 4.672 -1.499 177 HE1 TRP 531 1HE TRP 531 12.926 3.971 -0.375 178 HE3 TRP 531 3HE TRP 531 16.992 3.095 2.966 179 HZ2 TRP 531 2HZ TRP 531 12.080 2.917 2.117 180 HZ3 TRP 531 3HZ TRP 531 15.432 2.263 4.679 181 HH2 TRP 531 HH TRP 531 13.026 2.178 4.263 182 H ILE 532 H ILE 532 16.415 1.375 -1.468 183 HA ILE 532 HA ILE 532 17.953 -0.424 0.286 184 HB ILE 532 HB ILE 532 15.826 -1.810 0.210 185 HG12 ILE 532 2HG1 ILE 532 15.043 -0.145 -1.759 186 HG13 ILE 532 1HG1 ILE 532 13.923 -1.045 -0.746 187 HG21 ILE 532 1HG2 ILE 532 14.654 -0.113 1.808 188 HG22 ILE 532 2HG2 ILE 532 16.144 0.809 1.592 189 HG23 ILE 532 3HG2 ILE 532 16.206 -0.827 2.249 190 HD11 ILE 532 3HD1 ILE 532 13.215 1.241 -0.994 191 HD12 ILE 532 1HD1 ILE 532 14.762 1.807 -0.365 192 HD13 ILE 532 2HD1 ILE 532 13.660 0.914 0.682 193 HA PRO 533 HA PRO 533 19.161 -3.096 -2.979 194 HB2 PRO 533 2HB PRO 533 18.407 -5.574 -2.028 195 HB3 PRO 533 1HB PRO 533 19.876 -4.716 -1.552 196 HG2 PRO 533 2HG PRO 533 17.240 -4.884 -0.152 197 HG3 PRO 533 1HG PRO 533 18.878 -4.957 0.528 198 HD2 PRO 533 2HD PRO 533 17.410 -2.726 0.683 199 HD3 PRO 533 1HD PRO 533 19.163 -2.656 0.407 200 H TYR 534 H TYR 534 15.968 -4.112 -1.704 201 HA TYR 534 HA TYR 534 14.842 -3.893 -4.360 202 HB2 TYR 534 2HB TYR 534 14.085 -6.229 -4.468 203 HB3 TYR 534 1HB TYR 534 15.842 -6.108 -4.463 204 HD1 TYR 534 1HD TYR 534 12.891 -7.043 -2.474 205 HD2 TYR 534 2HD TYR 534 17.140 -6.995 -2.649 206 HE1 TYR 534 1HE TYR 534 12.981 -8.581 -0.556 207 HE2 TYR 534 2HE TYR 534 17.244 -8.532 -0.733 208 HH TYR 534 HH TYR 534 15.408 -9.018 1.336 209 H PHE 535 H PHE 535 14.441 -3.362 -1.182 210 HA PHE 535 HA PHE 535 11.784 -4.309 -0.753 211 HB2 PHE 535 2HB PHE 535 12.862 -1.935 0.710 212 HB3 PHE 535 1HB PHE 535 11.861 -3.249 1.305 213 HD1 PHE 535 2HD PHE 535 13.675 -5.480 0.139 214 HD2 PHE 535 1HD PHE 535 14.433 -2.002 2.466 215 HE1 PHE 535 2HE PHE 535 15.682 -6.549 1.079 216 HE2 PHE 535 1HE PHE 535 16.441 -3.056 3.404 217 HZ PHE 535 HZ PHE 535 17.070 -5.338 2.716 218 H GLY 536 H GLY 536 13.162 -1.505 -2.225 219 HA2 GLY 536 2HA GLY 536 10.511 -0.231 -2.366 220 HA3 GLY 536 1HA GLY 536 12.042 0.609 -2.543 221 HA PRO 537 HA PRO 537 12.271 0.183 -6.931 222 HB2 PRO 537 2HB PRO 537 14.207 -2.073 -6.827 223 HB3 PRO 537 1HB PRO 537 14.325 -0.527 -7.674 224 HG2 PRO 537 2HG PRO 537 15.720 -0.998 -5.446 225 HG3 PRO 537 1HG PRO 537 15.041 0.602 -5.791 226 HD2 PRO 537 2HD PRO 537 14.121 -1.482 -3.874 227 HD3 PRO 537 1HD PRO 537 14.053 0.287 -3.739 228 H ALA 538 H ALA 538 12.226 -2.913 -5.254 229 HA ALA 538 HA ALA 538 10.789 -4.179 -7.459 230 HB1 ALA 538 1HB ALA 538 11.868 -5.990 -6.774 231 HB2 ALA 538 2HB ALA 538 10.996 -5.930 -5.243 232 HB3 ALA 538 3HB ALA 538 12.538 -5.093 -5.411 233 H ALA 539 H ALA 539 10.069 -2.484 -4.627 234 HA ALA 539 HA ALA 539 7.699 -3.890 -3.866 235 HB1 ALA 539 1HB ALA 539 7.393 -1.412 -2.790 236 HB2 ALA 539 2HB ALA 539 9.143 -1.496 -2.992 237 HB3 ALA 539 3HB ALA 539 8.304 -2.728 -2.049 238 H GLU 540 H GLU 540 5.799 -3.828 -4.819 239 HA GLU 540 HA GLU 540 5.073 -1.461 -6.414 240 HB2 GLU 540 2HB GLU 540 4.202 -4.278 -7.052 241 HB3 GLU 540 1HB GLU 540 4.020 -2.840 -8.050 242 HG2 GLU 540 2HG GLU 540 6.681 -2.859 -7.789 243 HG3 GLU 540 1HG GLU 540 6.358 -4.587 -7.642 244 H GLY 541 H GLY 541 4.215 -3.706 -3.974 245 HA2 GLY 541 2HA GLY 541 1.510 -2.532 -3.831 246 HA3 GLY 541 1HA GLY 541 1.861 -4.193 -3.372 247 H ILE 542 H ILE 542 3.893 -1.422 -2.666 248 HA ILE 542 HA ILE 542 3.019 -1.372 0.115 249 HB ILE 542 HB ILE 542 5.962 -1.506 -0.319 250 HG12 ILE 542 2HG1 ILE 542 5.722 -4.038 0.195 251 HG13 ILE 542 1HG1 ILE 542 4.094 -3.856 -0.452 252 HG21 ILE 542 1HG2 ILE 542 4.444 -1.117 1.863 253 HG22 ILE 542 2HG2 ILE 542 6.052 -1.837 1.912 254 HG23 ILE 542 3HG2 ILE 542 4.622 -2.870 1.925 255 HD11 ILE 542 3HD1 ILE 542 5.096 -4.374 -2.391 256 HD12 ILE 542 1HD1 ILE 542 6.688 -3.871 -1.824 257 HD13 ILE 542 2HD1 ILE 542 5.536 -2.664 -2.399 258 H TYR 543 H TYR 543 4.932 -0.067 -2.513 259 HA TYR 543 HA TYR 543 5.294 2.436 -1.108 260 HB2 TYR 543 2HB TYR 543 7.132 2.705 -2.391 261 HB3 TYR 543 1HB TYR 543 6.985 0.978 -2.620 262 HD1 TYR 543 2HD TYR 543 5.555 0.226 -4.671 263 HD2 TYR 543 1HD TYR 543 7.273 4.092 -4.239 264 HE1 TYR 543 2HE TYR 543 5.403 0.557 -7.095 265 HE2 TYR 543 1HE TYR 543 7.134 4.434 -6.664 266 HH TYR 543 HH TYR 543 5.789 3.561 -8.576 267 H ILE 544 H ILE 544 3.791 1.070 -3.977 268 HA ILE 544 HA ILE 544 2.460 1.960 -5.618 269 HB ILE 544 HB ILE 544 0.995 3.091 -3.245 270 HG12 ILE 544 2HG1 ILE 544 -0.186 0.851 -3.265 271 HG13 ILE 544 1HG1 ILE 544 1.127 0.260 -4.277 272 HG21 ILE 544 1HG2 ILE 544 0.209 2.258 -6.016 273 HG22 ILE 544 2HG2 ILE 544 -0.059 3.802 -5.207 274 HG23 ILE 544 3HG2 ILE 544 -0.974 2.377 -4.712 275 HD11 ILE 544 3HD1 ILE 544 1.828 1.585 -1.719 276 HD12 ILE 544 1HD1 ILE 544 2.619 0.256 -2.566 277 HD13 ILE 544 2HD1 ILE 544 1.137 -0.037 -1.660 278 H GLU 545 H GLU 545 2.186 4.502 -3.184 279 HA GLU 545 HA GLU 545 2.481 6.747 -3.255 280 HB2 GLU 545 2HB GLU 545 4.154 6.273 -5.719 281 HB3 GLU 545 1HB GLU 545 4.227 7.651 -4.624 282 HG2 GLU 545 2HG GLU 545 4.829 5.973 -2.817 283 HG3 GLU 545 1HG GLU 545 5.096 4.825 -4.126 284 H GLY 546 H GLY 546 0.412 7.325 -3.664 285 HA2 GLY 546 2HA GLY 546 -0.406 8.967 -5.528 286 HA3 GLY 546 1HA GLY 546 -0.483 7.472 -6.446 287 H LEU 547 H LEU 547 -1.205 6.482 -3.422 288 HA LEU 547 HA LEU 547 -4.067 7.159 -3.701 289 HB2 LEU 547 2HB LEU 547 -4.747 4.957 -3.326 290 HB3 LEU 547 1HB LEU 547 -3.451 4.843 -4.500 291 HG LEU 547 HG LEU 547 -3.124 4.326 -1.546 292 HD11 LEU 547 1HD1 LEU 547 -3.541 2.439 -3.854 293 HD12 LEU 547 2HD1 LEU 547 -4.547 2.626 -2.418 294 HD13 LEU 547 3HD1 LEU 547 -2.927 1.942 -2.277 295 HD21 LEU 547 3HD2 LEU 547 -1.285 4.527 -3.815 296 HD22 LEU 547 1HD2 LEU 547 -1.096 3.061 -2.854 297 HD23 LEU 547 2HD2 LEU 547 -0.972 4.642 -2.085 298 H MET 548 H MET 548 -1.395 7.109 -1.680 299 HA MET 548 HA MET 548 -2.606 6.573 0.819 300 HB2 MET 548 2HB MET 548 -0.249 8.405 0.553 301 HB3 MET 548 1HB MET 548 -0.599 7.227 1.806 302 HG2 MET 548 2HG MET 548 0.616 5.704 0.782 303 HG3 MET 548 1HG MET 548 -0.327 5.872 -0.695 304 HE1 MET 548 3HE MET 548 0.748 9.356 -0.855 305 HE2 MET 548 1HE MET 548 -0.030 8.278 -2.014 306 HE3 MET 548 2HE MET 548 1.568 8.936 -2.357 307 H HIS 549 H HIS 549 -4.576 7.810 0.566 308 HA HIS 549 HA HIS 549 -4.204 10.589 1.441 309 HB2 HIS 549 2HB HIS 549 -6.509 9.894 -0.332 310 HB3 HIS 549 1HB HIS 549 -5.726 11.449 -0.083 311 HD1 HIS 549 1HD HIS 549 -6.248 9.446 -2.751 312 HD2 HIS 549 2HD HIS 549 -2.718 10.765 -1.005 313 HE1 HIS 549 1HE HIS 549 -4.499 9.244 -4.538 314 HE2 HIS 549 2HE HIS 549 -2.354 9.980 -3.444 315 H ASN 550 H ASN 550 -4.798 8.043 2.827 316 HA ASN 550 HA ASN 550 -6.187 7.212 4.434 317 HB2 ASN 550 2HB ASN 550 -7.190 10.057 4.636 318 HB3 ASN 550 1HB ASN 550 -7.247 8.821 5.888 319 HD21 ASN 550 1HD2 ASN 550 -5.994 9.657 7.429 320 HD22 ASN 550 2HD2 ASN 550 -4.341 10.116 7.222 321 H GLN 551 H GLN 551 -7.199 6.308 2.327 322 HA GLN 551 HA GLN 551 -9.845 7.329 1.766 323 HB2 GLN 551 2HB GLN 551 -9.139 4.742 0.570 324 HB3 GLN 551 1HB GLN 551 -9.761 6.197 -0.182 325 HG2 GLN 551 2HG GLN 551 -7.762 6.434 -1.110 326 HG3 GLN 551 1HG GLN 551 -7.162 6.874 0.485 327 HE21 GLN 551 1HE2 GLN 551 -7.233 4.466 1.790 328 HE22 GLN 551 2HE2 GLN 551 -6.130 3.364 1.052 329 H ASP 552 H ASP 552 -8.922 3.963 2.185 330 HA ASP 552 HA ASP 552 -9.811 2.253 3.383 331 HB2 ASP 552 2HB ASP 552 -9.524 4.218 5.203 332 HB3 ASP 552 1HB ASP 552 -11.273 4.017 5.269 333 H GLY 553 H GLY 553 -11.444 4.037 1.393 334 HA2 GLY 553 2HA GLY 553 -14.063 2.828 2.035 335 HA3 GLY 553 1HA GLY 553 -13.886 4.370 1.206 336 H LEU 554 H LEU 554 -11.688 3.526 -0.438 337 HA LEU 554 HA LEU 554 -13.194 2.145 -2.498 338 HB2 LEU 554 2HB LEU 554 -11.268 2.708 -3.924 339 HB3 LEU 554 1HB LEU 554 -11.966 4.110 -3.140 340 HG LEU 554 HG LEU 554 -9.974 3.396 -1.376 341 HD11 LEU 554 1HD1 LEU 554 -9.298 1.769 -3.288 342 HD12 LEU 554 2HD1 LEU 554 -8.064 2.726 -2.469 343 HD13 LEU 554 3HD1 LEU 554 -8.661 3.225 -4.051 344 HD21 LEU 554 3HD2 LEU 554 -8.724 5.300 -2.442 345 HD22 LEU 554 1HD2 LEU 554 -10.390 5.652 -1.985 346 HD23 LEU 554 2HD2 LEU 554 -9.986 5.344 -3.673 347 H ILE 555 H ILE 555 -11.485 1.110 0.043 348 HA ILE 555 HA ILE 555 -10.741 -1.388 -1.267 349 HB ILE 555 HB ILE 555 -8.603 -1.450 -0.012 350 HG12 ILE 555 2HG1 ILE 555 -9.174 0.244 1.696 351 HG13 ILE 555 1HG1 ILE 555 -7.662 0.602 0.887 352 HG21 ILE 555 1HG2 ILE 555 -7.526 -0.684 -1.806 353 HG22 ILE 555 2HG2 ILE 555 -8.192 0.941 -1.624 354 HG23 ILE 555 3HG2 ILE 555 -9.133 -0.313 -2.434 355 HD11 ILE 555 3HD1 ILE 555 -10.122 2.133 0.990 356 HD12 ILE 555 1HD1 ILE 555 -9.436 1.983 -0.627 357 HD13 ILE 555 2HD1 ILE 555 -8.465 2.653 0.682 358 H CYS 556 H CYS 556 -11.118 0.438 1.733 359 HA CYS 556 HA CYS 556 -11.694 -2.076 3.127 360 HB2 CYS 556 2HB CYS 556 -9.879 -0.203 3.832 361 HB3 CYS 556 1HB CYS 556 -11.289 0.407 4.694 362 H GLY 557 H GLY 557 -13.781 -1.504 1.723 363 HA2 GLY 557 2HA GLY 557 -15.591 0.103 3.406 364 HA3 GLY 557 1HA GLY 557 -15.834 -0.218 1.694 365 H LEU 558 H LEU 558 -15.835 -2.728 1.245 366 HA LEU 558 HA LEU 558 -17.251 -4.155 3.355 367 HB2 LEU 558 2HB LEU 558 -19.083 -4.781 1.894 368 HB3 LEU 558 1HB LEU 558 -18.997 -3.041 2.074 369 HG LEU 558 HG LEU 558 -17.961 -4.550 -0.326 370 HD11 LEU 558 1HD1 LEU 558 -20.342 -2.807 -0.495 371 HD12 LEU 558 2HD1 LEU 558 -20.554 -4.382 0.270 372 HD13 LEU 558 3HD1 LEU 558 -19.944 -4.279 -1.381 373 HD21 LEU 558 3HD2 LEU 558 -18.422 -1.973 -1.083 374 HD22 LEU 558 1HD2 LEU 558 -16.851 -2.621 -0.617 375 HD23 LEU 558 2HD2 LEU 558 -17.834 -1.762 0.567 376 H ARG 559 H ARG 559 -16.077 -4.342 -0.007 377 HA ARG 559 HA ARG 559 -14.298 -6.424 0.402 378 HB2 ARG 559 2HB ARG 559 -15.460 -8.373 -0.480 379 HB3 ARG 559 1HB ARG 559 -16.316 -7.769 0.932 380 HG2 ARG 559 2HG ARG 559 -17.227 -6.629 -1.600 381 HG3 ARG 559 1HG ARG 559 -17.465 -8.374 -1.458 382 HD2 ARG 559 2HD ARG 559 -18.232 -6.638 0.834 383 HD3 ARG 559 1HD ARG 559 -19.270 -6.651 -0.591 384 HE ARG 559 HE ARG 559 -19.017 -8.712 1.365 385 HH11 ARG 559 1HH1 ARG 559 -19.665 -8.119 -2.013 386 HH12 ARG 559 2HH1 ARG 559 -20.572 -9.579 -2.224 387 HH21 ARG 559 1HH2 ARG 559 -20.211 -10.632 1.089 388 HH22 ARG 559 2HH2 ARG 559 -20.885 -11.004 -0.462 389 H GLN 560 H GLN 560 -14.641 -4.051 -1.086 390 HA GLN 560 HA GLN 560 -14.795 -4.840 -3.870 391 HB2 GLN 560 2HB GLN 560 -14.857 -2.559 -4.400 392 HB3 GLN 560 1HB GLN 560 -15.744 -2.671 -2.888 393 HG2 GLN 560 2HG GLN 560 -12.843 -1.893 -3.057 394 HG3 GLN 560 1HG GLN 560 -14.171 -0.737 -3.077 395 HE21 GLN 560 1HE2 GLN 560 -12.783 -3.370 -1.176 396 HE22 GLN 560 2HE2 GLN 560 -13.239 -2.739 0.362 Start of MODEL 14 1 H1 ALA 507 1HT ALA 507 -12.304 -10.907 -4.195 2 H2 ALA 507 2HT ALA 507 -12.193 -12.400 -5.034 3 H3 ALA 507 3HT ALA 507 -12.312 -12.381 -3.321 4 HA ALA 507 HA ALA 507 -14.342 -11.766 -5.335 5 HB1 ALA 507 1HB ALA 507 -15.650 -13.336 -3.890 6 HB2 ALA 507 2HB ALA 507 -14.170 -13.631 -2.978 7 HB3 ALA 507 3HB ALA 507 -14.252 -14.057 -4.687 8 H GLN 508 H GLN 508 -13.324 -11.194 -2.011 9 HA GLN 508 HA GLN 508 -14.842 -8.791 -1.850 10 HB2 GLN 508 2HB GLN 508 -15.933 -11.279 -0.643 11 HB3 GLN 508 1HB GLN 508 -16.040 -9.809 0.317 12 HG2 GLN 508 2HG GLN 508 -17.013 -8.811 -1.907 13 HG3 GLN 508 1HG GLN 508 -17.372 -10.503 -2.247 14 HE21 GLN 508 1HE2 GLN 508 -17.499 -8.446 0.646 15 HE22 GLN 508 2HE2 GLN 508 -19.130 -8.838 1.061 16 HA PRO 509 HA PRO 509 -11.236 -9.497 1.120 17 HB2 PRO 509 2HB PRO 509 -9.367 -7.994 -0.111 18 HB3 PRO 509 1HB PRO 509 -9.625 -9.694 -0.520 19 HG2 PRO 509 2HG PRO 509 -10.595 -7.239 -1.933 20 HG3 PRO 509 1HG PRO 509 -9.907 -8.724 -2.616 21 HD2 PRO 509 2HD PRO 509 -12.583 -8.219 -2.533 22 HD3 PRO 509 1HD PRO 509 -11.902 -9.857 -2.480 23 H LYS 510 H LYS 510 -11.409 -8.224 2.846 24 HA LYS 510 HA LYS 510 -12.285 -5.462 2.527 25 HB2 LYS 510 2HB LYS 510 -12.630 -5.507 4.955 26 HB3 LYS 510 1HB LYS 510 -13.450 -6.847 4.166 27 HG2 LYS 510 2HG LYS 510 -11.009 -7.926 4.796 28 HG3 LYS 510 1HG LYS 510 -11.333 -6.860 6.164 29 HD2 LYS 510 2HD LYS 510 -12.260 -8.966 6.726 30 HD3 LYS 510 1HD LYS 510 -13.620 -7.927 6.294 31 HE2 LYS 510 2HE LYS 510 -12.455 -9.434 4.059 32 HE3 LYS 510 1HE LYS 510 -13.203 -10.427 5.309 33 HZ1 LYS 510 3HZ LYS 510 -15.082 -8.602 5.011 34 HZ2 LYS 510 1HZ LYS 510 -15.023 -10.004 4.064 35 HZ3 LYS 510 2HZ LYS 510 -14.427 -8.544 3.453 36 H CYS 511 H CYS 511 -10.851 -3.889 2.394 37 HA CYS 511 HA CYS 511 -8.970 -2.641 2.652 38 HB2 CYS 511 2HB CYS 511 -9.255 -4.056 5.242 39 HB3 CYS 511 1HB CYS 511 -7.688 -3.324 4.921 40 H ASN 512 H ASN 512 -7.958 -3.581 0.841 41 HA ASN 512 HA ASN 512 -6.216 -5.851 1.205 42 HB2 ASN 512 2HB ASN 512 -6.506 -4.089 -1.232 43 HB3 ASN 512 1HB ASN 512 -5.728 -5.663 -1.160 44 HD21 ASN 512 1HD2 ASN 512 -8.823 -4.021 -0.747 45 HD22 ASN 512 2HD2 ASN 512 -9.800 -5.371 -1.185 46 HA PRO 513 HA PRO 513 -2.879 -2.515 0.922 47 HB2 PRO 513 2HB PRO 513 -3.596 -0.044 0.019 48 HB3 PRO 513 1HB PRO 513 -3.267 -1.412 -1.046 49 HG2 PRO 513 2HG PRO 513 -5.783 -0.088 -0.604 50 HG3 PRO 513 1HG PRO 513 -5.437 -1.445 -1.687 51 HD2 PRO 513 2HD PRO 513 -6.537 -1.463 1.069 52 HD3 PRO 513 1HD PRO 513 -6.785 -2.613 -0.260 53 H ASN 514 H ASN 514 -5.336 -2.335 2.921 54 HA ASN 514 HA ASN 514 -4.273 -0.059 4.455 55 HB2 ASN 514 2HB ASN 514 -7.061 -0.895 3.859 56 HB3 ASN 514 1HB ASN 514 -6.744 -0.375 5.511 57 HD21 ASN 514 1HD2 ASN 514 -6.885 0.586 2.171 58 HD22 ASN 514 2HD2 ASN 514 -6.817 2.288 2.456 59 H LEU 515 H LEU 515 -2.904 -2.181 4.776 60 HA LEU 515 HA LEU 515 -4.010 -3.734 6.999 61 HB2 LEU 515 2HB LEU 515 -1.437 -4.479 5.733 62 HB3 LEU 515 1HB LEU 515 -2.715 -5.499 6.352 63 HG LEU 515 HG LEU 515 -2.724 -5.901 4.056 64 HD11 LEU 515 1HD1 LEU 515 -4.906 -4.472 5.184 65 HD12 LEU 515 2HD1 LEU 515 -4.923 -5.704 3.923 66 HD13 LEU 515 3HD1 LEU 515 -4.748 -4.005 3.493 67 HD21 LEU 515 3HD2 LEU 515 -1.781 -4.529 2.589 68 HD22 LEU 515 1HD2 LEU 515 -1.576 -3.336 3.874 69 HD23 LEU 515 2HD2 LEU 515 -3.028 -3.316 2.873 70 H HIS 516 H HIS 516 -1.037 -2.035 6.003 71 HA HIS 516 HA HIS 516 -0.611 -0.855 8.506 72 HB2 HIS 516 2HB HIS 516 0.871 -2.199 9.634 73 HB3 HIS 516 1HB HIS 516 -0.129 -3.427 8.864 74 HD1 HIS 516 1HD HIS 516 0.947 -4.843 7.020 75 HD2 HIS 516 2HD HIS 516 3.436 -1.906 8.563 76 HE1 HIS 516 1HE HIS 516 3.204 -5.292 6.018 77 HE2 HIS 516 2HE HIS 516 4.700 -3.487 6.945 78 H TYR 517 H TYR 517 1.361 -2.359 5.936 79 HA TYR 517 HA TYR 517 3.396 -0.485 5.902 80 HB2 TYR 517 2HB TYR 517 3.110 -1.303 3.216 81 HB3 TYR 517 1HB TYR 517 4.276 -1.851 4.399 82 HD1 TYR 517 2HD TYR 517 0.592 -2.615 4.351 83 HD2 TYR 517 1HD TYR 517 4.560 -4.053 3.779 84 HE1 TYR 517 2HE TYR 517 -0.264 -4.905 4.141 85 HE2 TYR 517 1HE TYR 517 3.700 -6.342 3.547 86 HH TYR 517 HH TYR 517 0.379 -7.030 3.176 87 H TRP 518 H TRP 518 0.201 -0.112 4.695 88 HA TRP 518 HA TRP 518 1.077 2.328 3.295 89 HB2 TRP 518 2HB TRP 518 -1.539 1.152 2.560 90 HB3 TRP 518 1HB TRP 518 -0.342 1.933 1.557 91 HD1 TRP 518 HD TRP 518 0.979 -1.055 3.431 92 HE1 TRP 518 1HE TRP 518 1.277 -2.986 1.839 93 HE3 TRP 518 3HE TRP 518 -1.458 0.877 -0.616 94 HZ2 TRP 518 2HZ TRP 518 0.552 -3.676 -0.803 95 HZ3 TRP 518 3HZ TRP 518 -1.608 -0.497 -2.651 96 HH2 TRP 518 HH TRP 518 -0.618 -2.727 -2.744 97 H THR 519 H THR 519 -1.436 0.835 5.224 98 HA THR 519 HA THR 519 -3.150 3.004 5.541 99 HB THR 519 HB THR 519 -3.751 0.757 6.249 100 HG1 THR 519 1HG THR 519 -3.645 2.457 8.515 101 HG21 THR 519 3HG2 THR 519 -2.153 0.916 8.729 102 HG22 THR 519 1HG2 THR 519 -1.314 0.451 7.248 103 HG23 THR 519 2HG2 THR 519 -2.698 -0.488 7.814 104 H THR 520 H THR 520 -0.119 2.277 7.056 105 HA THR 520 HA THR 520 -0.426 4.450 8.982 106 HB THR 520 HB THR 520 1.260 2.050 8.766 107 HG1 THR 520 1HG THR 520 0.561 1.871 10.724 108 HG21 THR 520 3HG2 THR 520 3.175 3.361 8.648 109 HG22 THR 520 1HG2 THR 520 2.958 3.104 10.381 110 HG23 THR 520 2HG2 THR 520 2.480 4.636 9.649 111 H GLN 521 H GLN 521 2.281 3.413 6.937 112 HA GLN 521 HA GLN 521 2.972 6.223 6.550 113 HB2 GLN 521 2HB GLN 521 5.181 5.472 6.010 114 HB3 GLN 521 1HB GLN 521 4.663 4.631 7.461 115 HG2 GLN 521 2HG GLN 521 4.759 2.624 6.498 116 HG3 GLN 521 1HG GLN 521 4.083 3.198 4.980 117 HE21 GLN 521 1HE2 GLN 521 5.990 5.201 4.398 118 HE22 GLN 521 2HE2 GLN 521 7.490 4.433 4.037 119 H ASP 522 H ASP 522 4.463 6.103 4.307 120 HA ASP 522 HA ASP 522 2.418 5.943 2.250 121 HB2 ASP 522 2HB ASP 522 5.185 7.114 2.323 122 HB3 ASP 522 1HB ASP 522 4.231 7.035 0.845 123 H GLU 523 H GLU 523 3.832 3.537 3.391 124 HA GLU 523 HA GLU 523 4.430 1.477 2.623 125 HB2 GLU 523 2HB GLU 523 4.132 2.558 -0.173 126 HB3 GLU 523 1HB GLU 523 4.015 0.885 0.352 127 HG2 GLU 523 2HG GLU 523 1.888 1.107 1.062 128 HG3 GLU 523 1HG GLU 523 2.113 2.778 1.571 129 H GLY 524 H GLY 524 6.190 4.138 2.431 130 HA2 GLY 524 2HA GLY 524 8.635 3.594 2.690 131 HA3 GLY 524 1HA GLY 524 8.476 2.829 1.116 132 H ALA 525 H ALA 525 6.599 5.674 1.565 133 HA ALA 525 HA ALA 525 8.427 7.075 -0.224 134 HB1 ALA 525 1HB ALA 525 6.652 8.075 -1.188 135 HB2 ALA 525 2HB ALA 525 5.783 8.246 0.338 136 HB3 ALA 525 3HB ALA 525 5.793 6.695 -0.503 137 H ALA 526 H ALA 526 7.755 7.002 3.032 138 HA ALA 526 HA ALA 526 8.081 9.818 3.465 139 HB1 ALA 526 1HB ALA 526 6.570 8.230 4.826 140 HB2 ALA 526 2HB ALA 526 7.493 9.468 5.678 141 HB3 ALA 526 3HB ALA 526 8.063 7.799 5.660 142 H ILE 527 H ILE 527 10.208 7.952 2.351 143 HA ILE 527 HA ILE 527 12.369 8.861 4.106 144 HB ILE 527 HB ILE 527 13.282 6.482 2.998 145 HG12 ILE 527 2HG1 ILE 527 10.837 6.027 2.494 146 HG13 ILE 527 1HG1 ILE 527 11.671 4.792 3.425 147 HG21 ILE 527 1HG2 ILE 527 13.373 5.694 5.281 148 HG22 ILE 527 2HG2 ILE 527 12.187 6.904 5.773 149 HG23 ILE 527 3HG2 ILE 527 13.786 7.407 5.225 150 HD11 ILE 527 3HD1 ILE 527 10.518 6.629 5.242 151 HD12 ILE 527 1HD1 ILE 527 10.115 4.932 4.984 152 HD13 ILE 527 2HD1 ILE 527 9.299 6.186 4.050 153 H GLY 528 H GLY 528 11.594 7.380 0.961 154 HA2 GLY 528 2HA GLY 528 12.521 9.281 -0.736 155 HA3 GLY 528 1HA GLY 528 13.989 8.449 -0.252 156 H LEU 529 H LEU 529 12.516 5.895 -0.001 157 HA LEU 529 HA LEU 529 11.788 4.138 -1.207 158 HB2 LEU 529 2HB LEU 529 10.666 6.156 -2.590 159 HB3 LEU 529 1HB LEU 529 11.729 5.490 -3.816 160 HG LEU 529 HG LEU 529 9.355 4.259 -2.504 161 HD11 LEU 529 1HD1 LEU 529 9.483 3.368 -5.057 162 HD12 LEU 529 2HD1 LEU 529 10.308 4.920 -5.201 163 HD13 LEU 529 3HD1 LEU 529 8.667 4.850 -4.562 164 HD21 LEU 529 3HD2 LEU 529 11.616 2.701 -3.733 165 HD22 LEU 529 1HD2 LEU 529 10.068 2.040 -3.208 166 HD23 LEU 529 2HD2 LEU 529 11.189 2.717 -2.020 167 H ALA 530 H ALA 530 14.376 6.087 -2.422 168 HA ALA 530 HA ALA 530 15.438 4.003 -4.060 169 HB1 ALA 530 1HB ALA 530 15.776 6.680 -4.073 170 HB2 ALA 530 2HB ALA 530 16.873 5.546 -4.862 171 HB3 ALA 530 3HB ALA 530 17.257 6.173 -3.259 172 H TRP 531 H TRP 531 15.671 4.851 -0.762 173 HA TRP 531 HA TRP 531 18.165 3.937 0.009 174 HB2 TRP 531 2HB TRP 531 17.041 3.428 2.221 175 HB3 TRP 531 1HB TRP 531 16.776 5.056 1.612 176 HD1 TRP 531 HD TRP 531 14.350 5.149 0.038 177 HE1 TRP 531 1HE TRP 531 12.067 4.310 0.790 178 HE3 TRP 531 3HE TRP 531 15.850 1.948 3.725 179 HZ2 TRP 531 2HZ TRP 531 11.002 2.524 2.711 180 HZ3 TRP 531 3HZ TRP 531 14.130 0.714 4.982 181 HH2 TRP 531 HH TRP 531 11.756 0.999 4.485 182 H ILE 532 H ILE 532 15.407 2.207 -1.070 183 HA ILE 532 HA ILE 532 16.667 -0.363 -0.426 184 HB ILE 532 HB ILE 532 14.373 -1.297 -0.647 185 HG12 ILE 532 2HG1 ILE 532 13.829 1.491 -1.397 186 HG13 ILE 532 1HG1 ILE 532 12.953 0.037 -1.797 187 HG21 ILE 532 1HG2 ILE 532 13.567 -0.344 1.537 188 HG22 ILE 532 2HG2 ILE 532 14.884 0.828 1.416 189 HG23 ILE 532 3HG2 ILE 532 15.246 -0.895 1.536 190 HD11 ILE 532 3HD1 ILE 532 11.478 0.303 -0.110 191 HD12 ILE 532 1HD1 ILE 532 11.947 1.990 -0.298 192 HD13 ILE 532 2HD1 ILE 532 12.670 1.013 0.973 193 HA PRO 533 HA PRO 533 16.880 -0.488 -4.922 194 HB2 PRO 533 2HB PRO 533 18.808 -2.305 -5.143 195 HB3 PRO 533 1HB PRO 533 19.145 -0.694 -4.498 196 HG2 PRO 533 2HG PRO 533 18.825 -3.284 -3.055 197 HG3 PRO 533 1HG PRO 533 19.930 -1.940 -2.720 198 HD2 PRO 533 2HD PRO 533 17.485 -2.432 -1.434 199 HD3 PRO 533 1HD PRO 533 18.414 -0.922 -1.372 200 H TYR 534 H TYR 534 14.832 -2.152 -3.454 201 HA TYR 534 HA TYR 534 13.932 -3.738 -5.525 202 HB2 TYR 534 2HB TYR 534 14.431 -6.045 -4.585 203 HB3 TYR 534 1HB TYR 534 15.786 -5.217 -5.342 204 HD1 TYR 534 1HD TYR 534 14.235 -5.787 -1.982 205 HD2 TYR 534 2HD TYR 534 17.796 -5.047 -4.198 206 HE1 TYR 534 1HE TYR 534 15.565 -6.087 0.059 207 HE2 TYR 534 2HE TYR 534 19.132 -5.347 -2.157 208 HH TYR 534 HH TYR 534 18.769 -5.158 0.327 209 H PHE 535 H PHE 535 14.242 -3.417 -2.071 210 HA PHE 535 HA PHE 535 11.855 -4.792 -1.405 211 HB2 PHE 535 2HB PHE 535 13.416 -4.690 0.289 212 HB3 PHE 535 1HB PHE 535 13.786 -3.005 0.013 213 HD1 PHE 535 2HD PHE 535 12.125 -1.286 0.716 214 HD2 PHE 535 1HD PHE 535 11.862 -5.352 1.903 215 HE1 PHE 535 2HE PHE 535 10.657 -0.630 2.577 216 HE2 PHE 535 1HE PHE 535 10.391 -4.713 3.777 217 HZ PHE 535 HZ PHE 535 9.795 -2.344 4.111 218 H GLY 536 H GLY 536 12.521 -1.638 -2.519 219 HA2 GLY 536 2HA GLY 536 9.765 -0.790 -1.847 220 HA3 GLY 536 1HA GLY 536 11.110 0.326 -2.003 221 HA PRO 537 HA PRO 537 10.433 1.137 -6.267 222 HB2 PRO 537 2HB PRO 537 13.005 -0.189 -6.975 223 HB3 PRO 537 1HB PRO 537 12.434 1.437 -7.365 224 HG2 PRO 537 2HG PRO 537 14.287 1.045 -5.482 225 HG3 PRO 537 1HG PRO 537 13.039 2.291 -5.296 226 HD2 PRO 537 2HD PRO 537 13.270 -0.377 -3.991 227 HD3 PRO 537 1HD PRO 537 12.627 1.147 -3.347 228 H ALA 538 H ALA 538 11.828 -2.058 -5.652 229 HA ALA 538 HA ALA 538 10.416 -3.202 -7.935 230 HB1 ALA 538 1HB ALA 538 12.040 -4.815 -6.014 231 HB2 ALA 538 2HB ALA 538 12.844 -3.746 -7.164 232 HB3 ALA 538 3HB ALA 538 11.800 -5.041 -7.747 233 H ALA 539 H ALA 539 10.005 -2.778 -4.577 234 HA ALA 539 HA ALA 539 8.703 -4.965 -3.629 235 HB1 ALA 539 1HB ALA 539 7.310 -2.505 -2.920 236 HB2 ALA 539 2HB ALA 539 9.064 -2.382 -2.796 237 HB3 ALA 539 3HB ALA 539 8.205 -3.638 -1.906 238 H GLU 540 H GLU 540 7.143 -2.313 -5.423 239 HA GLU 540 HA GLU 540 5.330 -2.260 -6.777 240 HB2 GLU 540 2HB GLU 540 5.281 -5.254 -6.495 241 HB3 GLU 540 1HB GLU 540 4.448 -4.307 -7.717 242 HG2 GLU 540 2HG GLU 540 7.185 -3.616 -7.823 243 HG3 GLU 540 1HG GLU 540 7.079 -5.374 -7.764 244 H GLY 541 H GLY 541 4.710 -4.846 -4.389 245 HA2 GLY 541 2HA GLY 541 2.074 -3.626 -3.906 246 HA3 GLY 541 1HA GLY 541 2.507 -5.286 -3.535 247 H ILE 542 H ILE 542 4.651 -2.690 -2.700 248 HA ILE 542 HA ILE 542 3.667 -2.590 0.037 249 HB ILE 542 HB ILE 542 6.577 -3.058 -0.201 250 HG12 ILE 542 2HG1 ILE 542 6.137 -5.559 0.002 251 HG13 ILE 542 1HG1 ILE 542 4.512 -5.217 -0.588 252 HG21 ILE 542 1HG2 ILE 542 4.468 -3.205 1.806 253 HG22 ILE 542 2HG2 ILE 542 6.198 -2.911 1.997 254 HG23 ILE 542 3HG2 ILE 542 5.593 -4.563 1.868 255 HD11 ILE 542 3HD1 ILE 542 6.085 -3.923 -2.417 256 HD12 ILE 542 1HD1 ILE 542 5.387 -5.532 -2.616 257 HD13 ILE 542 2HD1 ILE 542 7.041 -5.356 -2.029 258 H TYR 543 H TYR 543 4.802 -0.967 -2.593 259 HA TYR 543 HA TYR 543 5.811 1.194 -0.945 260 HB2 TYR 543 2HB TYR 543 7.656 1.430 -2.226 261 HB3 TYR 543 1HB TYR 543 7.385 -0.269 -2.550 262 HD1 TYR 543 2HD TYR 543 6.153 -0.916 -4.643 263 HD2 TYR 543 1HD TYR 543 7.615 3.019 -3.962 264 HE1 TYR 543 2HE TYR 543 5.996 -0.444 -7.052 265 HE2 TYR 543 1HE TYR 543 7.463 3.506 -6.362 266 HH TYR 543 HH TYR 543 5.811 1.473 -8.550 267 H ILE 544 H ILE 544 4.287 0.249 -3.982 268 HA ILE 544 HA ILE 544 3.115 1.443 -5.559 269 HB ILE 544 HB ILE 544 1.545 2.272 -3.128 270 HG12 ILE 544 2HG1 ILE 544 0.337 0.012 -3.757 271 HG13 ILE 544 1HG1 ILE 544 1.923 -0.411 -4.390 272 HG21 ILE 544 1HG2 ILE 544 -0.347 1.783 -4.787 273 HG22 ILE 544 2HG2 ILE 544 0.909 1.834 -6.024 274 HG23 ILE 544 3HG2 ILE 544 0.598 3.252 -5.024 275 HD11 ILE 544 3HD1 ILE 544 2.874 0.093 -2.150 276 HD12 ILE 544 1HD1 ILE 544 1.734 -1.249 -2.167 277 HD13 ILE 544 2HD1 ILE 544 1.232 0.328 -1.561 278 H GLU 545 H GLU 545 2.782 3.628 -2.800 279 HA GLU 545 HA GLU 545 3.141 5.854 -2.543 280 HB2 GLU 545 2HB GLU 545 5.050 5.550 -4.860 281 HB3 GLU 545 1HB GLU 545 5.028 6.857 -3.679 282 HG2 GLU 545 2HG GLU 545 5.287 4.874 -1.980 283 HG3 GLU 545 1HG GLU 545 5.954 4.050 -3.389 284 H GLY 546 H GLY 546 1.005 4.962 -4.197 285 HA2 GLY 546 2HA GLY 546 0.558 7.443 -5.675 286 HA3 GLY 546 1HA GLY 546 0.412 5.938 -6.569 287 H LEU 547 H LEU 547 -0.516 5.658 -3.308 288 HA LEU 547 HA LEU 547 -3.259 6.471 -3.709 289 HB2 LEU 547 2HB LEU 547 -4.313 4.433 -3.815 290 HB3 LEU 547 1HB LEU 547 -2.894 4.164 -4.808 291 HG LEU 547 HG LEU 547 -3.272 3.246 -1.957 292 HD11 LEU 547 1HD1 LEU 547 -4.553 1.995 -3.658 293 HD12 LEU 547 2HD1 LEU 547 -3.302 1.023 -2.883 294 HD13 LEU 547 3HD1 LEU 547 -3.044 1.658 -4.507 295 HD21 LEU 547 3HD2 LEU 547 -1.036 3.363 -1.887 296 HD22 LEU 547 1HD2 LEU 547 -0.890 3.540 -3.634 297 HD23 LEU 547 2HD2 LEU 547 -1.087 1.937 -2.923 298 H MET 548 H MET 548 -0.736 5.416 -1.620 299 HA MET 548 HA MET 548 -2.294 4.954 0.699 300 HB2 MET 548 2HB MET 548 0.019 5.489 1.838 301 HB3 MET 548 1HB MET 548 -0.225 3.995 0.950 302 HG2 MET 548 2HG MET 548 1.922 4.966 0.427 303 HG3 MET 548 1HG MET 548 0.888 4.960 -0.996 304 HE1 MET 548 3HE MET 548 0.397 7.956 -2.267 305 HE2 MET 548 1HE MET 548 1.118 6.356 -2.441 306 HE3 MET 548 2HE MET 548 2.150 7.783 -2.355 307 H HIS 549 H HIS 549 -3.595 7.001 0.100 308 HA HIS 549 HA HIS 549 -2.442 9.309 1.519 309 HB2 HIS 549 2HB HIS 549 -4.819 9.629 -0.249 310 HB3 HIS 549 1HB HIS 549 -3.509 10.754 0.081 311 HD1 HIS 549 1HD HIS 549 -4.698 9.688 -2.766 312 HD2 HIS 549 2HD HIS 549 -1.064 8.742 -0.989 313 HE1 HIS 549 1HE HIS 549 -3.202 8.960 -4.649 314 HE2 HIS 549 2HE HIS 549 -0.972 8.512 -3.564 315 H ASN 550 H ASN 550 -5.380 7.416 1.002 316 HA ASN 550 HA ASN 550 -6.202 7.296 3.630 317 HB2 ASN 550 2HB ASN 550 -6.862 9.850 2.349 318 HB3 ASN 550 1HB ASN 550 -8.259 9.027 3.036 319 HD21 ASN 550 1HD2 ASN 550 -7.803 8.111 5.294 320 HD22 ASN 550 2HD2 ASN 550 -7.006 9.187 6.387 321 H GLN 551 H GLN 551 -8.174 8.373 0.899 322 HA GLN 551 HA GLN 551 -10.044 7.448 -0.023 323 HB2 GLN 551 2HB GLN 551 -9.039 4.869 -0.662 324 HB3 GLN 551 1HB GLN 551 -9.196 6.274 -1.698 325 HG2 GLN 551 2HG GLN 551 -6.964 5.756 -1.896 326 HG3 GLN 551 1HG GLN 551 -6.953 7.018 -0.670 327 HE21 GLN 551 1HE2 GLN 551 -7.775 3.585 -0.355 328 HE22 GLN 551 2HE2 GLN 551 -6.537 3.219 0.789 329 H ASP 552 H ASP 552 -8.879 4.343 1.100 330 HA ASP 552 HA ASP 552 -9.794 2.730 2.405 331 HB2 ASP 552 2HB ASP 552 -10.117 5.126 3.846 332 HB3 ASP 552 1HB ASP 552 -11.668 4.298 3.954 333 H GLY 553 H GLY 553 -11.184 3.941 -0.037 334 HA2 GLY 553 2HA GLY 553 -13.813 2.682 0.445 335 HA3 GLY 553 1HA GLY 553 -13.621 4.112 -0.559 336 H LEU 554 H LEU 554 -11.130 3.156 -1.741 337 HA LEU 554 HA LEU 554 -12.267 1.634 -3.889 338 HB2 LEU 554 2HB LEU 554 -10.013 1.800 -4.867 339 HB3 LEU 554 1HB LEU 554 -10.663 3.354 -4.384 340 HG LEU 554 HG LEU 554 -9.222 2.557 -2.151 341 HD11 LEU 554 1HD1 LEU 554 -8.332 0.766 -3.837 342 HD12 LEU 554 2HD1 LEU 554 -7.217 1.615 -2.767 343 HD13 LEU 554 3HD1 LEU 554 -7.371 2.112 -4.451 344 HD21 LEU 554 3HD2 LEU 554 -9.272 4.802 -2.966 345 HD22 LEU 554 1HD2 LEU 554 -8.477 4.335 -4.469 346 HD23 LEU 554 2HD2 LEU 554 -7.591 4.271 -2.947 347 H ILE 555 H ILE 555 -11.146 0.720 -0.928 348 HA ILE 555 HA ILE 555 -10.587 -1.991 -1.857 349 HB ILE 555 HB ILE 555 -8.716 -2.216 -0.299 350 HG12 ILE 555 2HG1 ILE 555 -9.431 -0.438 1.288 351 HG13 ILE 555 1HG1 ILE 555 -7.750 -0.302 0.819 352 HG21 ILE 555 1HG2 ILE 555 -8.706 -0.817 -2.733 353 HG22 ILE 555 2HG2 ILE 555 -7.377 -1.701 -1.985 354 HG23 ILE 555 3HG2 ILE 555 -7.581 0.022 -1.666 355 HD11 ILE 555 3HD1 ILE 555 -9.025 1.262 -1.022 356 HD12 ILE 555 1HD1 ILE 555 -8.177 1.825 0.416 357 HD13 ILE 555 2HD1 ILE 555 -9.921 1.565 0.465 358 H CYS 556 H CYS 556 -11.279 0.199 0.806 359 HA CYS 556 HA CYS 556 -12.516 -2.023 2.268 360 HB2 CYS 556 2HB CYS 556 -10.543 -0.220 3.078 361 HB3 CYS 556 1HB CYS 556 -12.013 0.366 3.851 362 H GLY 557 H GLY 557 -14.346 -1.416 0.667 363 HA2 GLY 557 2HA GLY 557 -16.477 -0.343 2.034 364 HA3 GLY 557 1HA GLY 557 -15.772 1.017 1.178 365 H LEU 558 H LEU 558 -14.961 -0.741 -1.094 366 HA LEU 558 HA LEU 558 -17.015 -0.269 -2.840 367 HB2 LEU 558 2HB LEU 558 -16.036 -2.343 -4.099 368 HB3 LEU 558 1HB LEU 558 -15.099 -0.873 -3.928 369 HG LEU 558 HG LEU 558 -14.688 -2.828 -1.768 370 HD11 LEU 558 1HD1 LEU 558 -14.240 -3.538 -4.621 371 HD12 LEU 558 2HD1 LEU 558 -14.709 -4.558 -3.260 372 HD13 LEU 558 3HD1 LEU 558 -13.037 -4.023 -3.426 373 HD21 LEU 558 3HD2 LEU 558 -13.082 -1.276 -1.585 374 HD22 LEU 558 1HD2 LEU 558 -13.207 -0.799 -3.278 375 HD23 LEU 558 2HD2 LEU 558 -12.268 -2.221 -2.830 376 H ARG 559 H ARG 559 -16.343 -3.496 -1.472 377 HA ARG 559 HA ARG 559 -19.037 -4.030 -0.814 378 HB2 ARG 559 2HB ARG 559 -19.576 -5.688 -2.506 379 HB3 ARG 559 1HB ARG 559 -19.217 -4.153 -3.291 380 HG2 ARG 559 2HG ARG 559 -16.903 -5.912 -2.944 381 HG3 ARG 559 1HG ARG 559 -18.161 -6.548 -4.009 382 HD2 ARG 559 2HD ARG 559 -18.008 -4.011 -4.903 383 HD3 ARG 559 1HD ARG 559 -16.350 -4.246 -4.354 384 HE ARG 559 HE ARG 559 -16.007 -5.687 -6.101 385 HH11 ARG 559 1HH1 ARG 559 -19.436 -5.153 -5.729 386 HH12 ARG 559 2HH1 ARG 559 -19.849 -5.979 -7.194 387 HH21 ARG 559 1HH2 ARG 559 -16.549 -6.774 -8.026 388 HH22 ARG 559 2HH2 ARG 559 -18.211 -6.901 -8.497 389 H GLN 560 H GLN 560 -16.473 -4.211 0.314 390 HA GLN 560 HA GLN 560 -15.983 -7.078 0.581 391 HB2 GLN 560 2HB GLN 560 -13.946 -6.206 1.903 392 HB3 GLN 560 1HB GLN 560 -13.957 -6.009 0.156 393 HG2 GLN 560 2HG GLN 560 -13.148 -4.026 1.444 394 HG3 GLN 560 1HG GLN 560 -14.469 -3.701 0.324 395 HE21 GLN 560 1HE2 GLN 560 -16.170 -2.651 1.074 396 HE22 GLN 560 2HE2 GLN 560 -16.554 -2.407 2.740 Start of MODEL 15 1 H1 ALA 507 1HT ALA 507 -12.261 -11.925 -6.263 2 H2 ALA 507 2HT ALA 507 -10.706 -11.199 -6.252 3 H3 ALA 507 3HT ALA 507 -11.253 -12.038 -7.645 4 HA ALA 507 HA ALA 507 -11.304 -9.541 -7.658 5 HB1 ALA 507 1HB ALA 507 -13.786 -9.780 -8.630 6 HB2 ALA 507 2HB ALA 507 -13.349 -11.486 -8.534 7 HB3 ALA 507 3HB ALA 507 -12.358 -10.373 -9.478 8 H GLN 508 H GLN 508 -11.789 -10.233 -4.848 9 HA GLN 508 HA GLN 508 -13.486 -8.020 -4.198 10 HB2 GLN 508 2HB GLN 508 -14.477 -10.815 -3.915 11 HB3 GLN 508 1HB GLN 508 -14.851 -9.681 -2.625 12 HG2 GLN 508 2HG GLN 508 -15.699 -8.146 -4.500 13 HG3 GLN 508 1HG GLN 508 -15.683 -9.601 -5.497 14 HE21 GLN 508 1HE2 GLN 508 -17.783 -7.767 -4.146 15 HE22 GLN 508 2HE2 GLN 508 -18.906 -8.897 -3.480 16 HA PRO 509 HA PRO 509 -10.242 -9.433 -1.074 17 HB2 PRO 509 2HB PRO 509 -8.295 -7.651 -1.578 18 HB3 PRO 509 1HB PRO 509 -8.434 -9.161 -2.487 19 HG2 PRO 509 2HG PRO 509 -9.304 -6.402 -3.255 20 HG3 PRO 509 1HG PRO 509 -8.484 -7.630 -4.236 21 HD2 PRO 509 2HD PRO 509 -11.175 -7.156 -4.346 22 HD3 PRO 509 1HD PRO 509 -10.439 -8.728 -4.715 23 H LYS 510 H LYS 510 -11.346 -8.702 0.685 24 HA LYS 510 HA LYS 510 -12.176 -6.023 1.066 25 HB2 LYS 510 2HB LYS 510 -11.803 -8.268 3.054 26 HB3 LYS 510 1HB LYS 510 -12.587 -6.738 3.419 27 HG2 LYS 510 2HG LYS 510 -14.512 -7.395 2.520 28 HG3 LYS 510 1HG LYS 510 -13.717 -8.011 1.071 29 HD2 LYS 510 2HD LYS 510 -13.039 -9.792 3.132 30 HD3 LYS 510 1HD LYS 510 -14.757 -9.449 3.339 31 HE2 LYS 510 2HE LYS 510 -14.875 -9.859 0.774 32 HE3 LYS 510 1HE LYS 510 -13.335 -10.683 1.015 33 HZ1 LYS 510 3HZ LYS 510 -14.652 -11.874 2.898 34 HZ2 LYS 510 1HZ LYS 510 -14.815 -12.387 1.294 35 HZ3 LYS 510 2HZ LYS 510 -16.005 -11.411 1.996 36 H CYS 511 H CYS 511 -10.929 -4.326 1.463 37 HA CYS 511 HA CYS 511 -9.215 -3.014 2.182 38 HB2 CYS 511 2HB CYS 511 -9.856 -4.786 4.350 39 HB3 CYS 511 1HB CYS 511 -8.125 -4.468 4.352 40 H ASN 512 H ASN 512 -7.753 -3.141 0.545 41 HA ASN 512 HA ASN 512 -5.891 -5.376 0.484 42 HB2 ASN 512 2HB ASN 512 -6.111 -3.121 -1.507 43 HB3 ASN 512 1HB ASN 512 -5.227 -4.627 -1.703 44 HD21 ASN 512 1HD2 ASN 512 -8.482 -3.345 -1.173 45 HD22 ASN 512 2HD2 ASN 512 -9.300 -4.587 -2.046 46 HA PRO 513 HA PRO 513 -2.887 -1.855 1.368 47 HB2 PRO 513 2HB PRO 513 -3.592 0.664 0.750 48 HB3 PRO 513 1HB PRO 513 -3.200 -0.530 -0.491 49 HG2 PRO 513 2HG PRO 513 -5.780 0.675 0.099 50 HG3 PRO 513 1HG PRO 513 -5.320 -0.351 -1.268 51 HD2 PRO 513 2HD PRO 513 -6.620 -1.096 1.277 52 HD3 PRO 513 1HD PRO 513 -6.624 -1.933 -0.287 53 H ASN 514 H ASN 514 -5.581 -2.121 3.058 54 HA ASN 514 HA ASN 514 -4.886 0.002 4.977 55 HB2 ASN 514 2HB ASN 514 -7.484 -0.905 3.912 56 HB3 ASN 514 1HB ASN 514 -7.440 -0.684 5.659 57 HD21 ASN 514 1HD2 ASN 514 -7.290 0.861 2.562 58 HD22 ASN 514 2HD2 ASN 514 -7.397 2.485 3.138 59 H LEU 515 H LEU 515 -3.367 -2.041 5.251 60 HA LEU 515 HA LEU 515 -4.570 -3.741 7.331 61 HB2 LEU 515 2HB LEU 515 -2.074 -4.619 6.017 62 HB3 LEU 515 1HB LEU 515 -3.440 -5.561 6.570 63 HG LEU 515 HG LEU 515 -3.388 -5.825 4.237 64 HD11 LEU 515 1HD1 LEU 515 -5.566 -4.715 5.483 65 HD12 LEU 515 2HD1 LEU 515 -5.552 -5.441 3.876 66 HD13 LEU 515 3HD1 LEU 515 -5.366 -3.699 4.058 67 HD21 LEU 515 3HD2 LEU 515 -2.400 -4.367 2.886 68 HD22 LEU 515 1HD2 LEU 515 -2.192 -3.272 4.252 69 HD23 LEU 515 2HD2 LEU 515 -3.633 -3.156 3.241 70 H HIS 516 H HIS 516 -1.369 -2.525 6.291 71 HA HIS 516 HA HIS 516 -0.814 -1.266 8.749 72 HB2 HIS 516 2HB HIS 516 0.450 -2.770 9.940 73 HB3 HIS 516 1HB HIS 516 -0.715 -3.864 9.199 74 HD1 HIS 516 1HD HIS 516 0.148 -5.433 7.348 75 HD2 HIS 516 2HD HIS 516 3.033 -2.912 8.933 76 HE1 HIS 516 1HE HIS 516 2.317 -6.206 6.356 77 HE2 HIS 516 2HE HIS 516 4.060 -4.654 7.308 78 H TYR 517 H TYR 517 0.950 -3.135 6.263 79 HA TYR 517 HA TYR 517 3.256 -1.635 6.161 80 HB2 TYR 517 2HB TYR 517 2.690 -2.376 3.471 81 HB3 TYR 517 1HB TYR 517 3.853 -3.070 4.577 82 HD1 TYR 517 1HD TYR 517 0.092 -3.341 4.720 83 HD2 TYR 517 2HD TYR 517 3.812 -5.301 4.035 84 HE1 TYR 517 1HE TYR 517 -1.072 -5.491 4.568 85 HE2 TYR 517 2HE TYR 517 2.647 -7.458 3.889 86 HH TYR 517 HH TYR 517 0.244 -8.330 4.925 87 H TRP 518 H TRP 518 0.182 -0.567 5.260 88 HA TRP 518 HA TRP 518 1.374 1.596 3.666 89 HB2 TRP 518 2HB TRP 518 -1.500 0.822 3.347 90 HB3 TRP 518 1HB TRP 518 -0.410 1.537 2.181 91 HD1 TRP 518 HD TRP 518 0.363 -1.752 3.988 92 HE1 TRP 518 1HE TRP 518 0.495 -3.599 2.280 93 HE3 TRP 518 3HE TRP 518 -1.174 0.848 -0.127 94 HZ2 TRP 518 2HZ TRP 518 -0.009 -3.984 -0.467 95 HZ3 TRP 518 3HZ TRP 518 -1.332 -0.352 -2.269 96 HH2 TRP 518 HH TRP 518 -0.758 -2.719 -2.437 97 H THR 519 H THR 519 -1.111 0.649 5.936 98 HA THR 519 HA THR 519 -2.059 3.293 6.454 99 HB THR 519 HB THR 519 -3.458 1.299 6.785 100 HG1 THR 519 1HG THR 519 -4.407 2.059 8.579 101 HG21 THR 519 3HG2 THR 519 -1.225 0.458 8.443 102 HG22 THR 519 1HG2 THR 519 -2.523 -0.489 7.716 103 HG23 THR 519 2HG2 THR 519 -2.785 0.321 9.259 104 H THR 520 H THR 520 0.583 1.416 7.619 105 HA THR 520 HA THR 520 0.827 2.864 10.102 106 HB THR 520 HB THR 520 1.613 0.397 9.439 107 HG1 THR 520 1HG THR 520 3.083 1.984 11.257 108 HG21 THR 520 3HG2 THR 520 4.079 0.297 9.396 109 HG22 THR 520 1HG2 THR 520 4.115 2.032 9.079 110 HG23 THR 520 2HG2 THR 520 3.379 0.934 7.910 111 H GLN 521 H GLN 521 2.872 2.599 7.193 112 HA GLN 521 HA GLN 521 4.145 5.106 7.978 113 HB2 GLN 521 2HB GLN 521 5.991 4.500 6.651 114 HB3 GLN 521 1HB GLN 521 5.499 3.023 7.468 115 HG2 GLN 521 2HG GLN 521 4.661 2.077 5.526 116 HG3 GLN 521 1HG GLN 521 4.544 3.629 4.708 117 HE21 GLN 521 1HE2 GLN 521 6.601 4.725 4.183 118 HE22 GLN 521 2HE2 GLN 521 7.965 3.745 3.773 119 H ASP 522 H ASP 522 5.092 5.728 5.358 120 HA ASP 522 HA ASP 522 2.632 6.881 4.269 121 HB2 ASP 522 2HB ASP 522 5.480 7.719 4.314 122 HB3 ASP 522 1HB ASP 522 4.459 8.281 2.997 123 H GLU 523 H GLU 523 3.403 4.182 3.714 124 HA GLU 523 HA GLU 523 3.799 2.705 2.004 125 HB2 GLU 523 2HB GLU 523 1.889 4.733 1.122 126 HB3 GLU 523 1HB GLU 523 2.694 3.916 -0.215 127 HG2 GLU 523 2HG GLU 523 2.035 1.761 0.724 128 HG3 GLU 523 1HG GLU 523 1.205 2.599 2.032 129 H GLY 524 H GLY 524 6.104 3.254 2.190 130 HA2 GLY 524 2HA GLY 524 8.026 3.319 0.823 131 HA3 GLY 524 1HA GLY 524 7.100 4.205 -0.385 132 H ALA 525 H ALA 525 5.988 5.941 1.789 133 HA ALA 525 HA ALA 525 6.416 8.011 2.587 134 HB1 ALA 525 1HB ALA 525 9.173 7.529 3.363 135 HB2 ALA 525 2HB ALA 525 8.054 6.276 3.900 136 HB3 ALA 525 3HB ALA 525 7.777 7.958 4.353 137 H ALA 526 H ALA 526 7.662 7.140 -0.191 138 HA ALA 526 HA ALA 526 8.957 8.084 -1.802 139 HB1 ALA 526 1HB ALA 526 8.405 10.800 -0.763 140 HB2 ALA 526 2HB ALA 526 7.014 9.790 -1.158 141 HB3 ALA 526 3HB ALA 526 8.220 10.151 -2.393 142 H ILE 527 H ILE 527 10.079 7.726 1.043 143 HA ILE 527 HA ILE 527 11.935 9.671 1.654 144 HB ILE 527 HB ILE 527 13.328 7.515 2.404 145 HG12 ILE 527 2HG1 ILE 527 11.933 5.647 2.957 146 HG13 ILE 527 1HG1 ILE 527 10.492 6.489 2.405 147 HG21 ILE 527 1HG2 ILE 527 12.489 9.217 3.889 148 HG22 ILE 527 2HG2 ILE 527 12.112 7.621 4.537 149 HG23 ILE 527 3HG2 ILE 527 10.854 8.571 3.745 150 HD11 ILE 527 3HD1 ILE 527 12.712 5.965 0.490 151 HD12 ILE 527 1HD1 ILE 527 10.984 6.145 0.189 152 HD13 ILE 527 2HD1 ILE 527 11.602 4.667 0.928 153 H GLY 528 H GLY 528 11.971 7.413 -0.968 154 HA2 GLY 528 2HA GLY 528 13.787 8.633 -2.549 155 HA3 GLY 528 1HA GLY 528 14.813 7.710 -1.465 156 H LEU 529 H LEU 529 13.602 5.358 -1.190 157 HA LEU 529 HA LEU 529 13.103 3.347 -2.132 158 HB2 LEU 529 2HB LEU 529 12.463 5.040 -4.526 159 HB3 LEU 529 1HB LEU 529 12.312 3.298 -4.526 160 HG LEU 529 HG LEU 529 10.573 3.365 -2.888 161 HD11 LEU 529 1HD1 LEU 529 11.193 6.303 -2.678 162 HD12 LEU 529 2HD1 LEU 529 11.371 5.074 -1.427 163 HD13 LEU 529 3HD1 LEU 529 9.763 5.538 -1.983 164 HD21 LEU 529 3HD2 LEU 529 10.348 5.205 -5.217 165 HD22 LEU 529 1HD2 LEU 529 9.013 5.118 -4.068 166 HD23 LEU 529 2HD2 LEU 529 9.548 3.664 -4.913 167 H ALA 530 H ALA 530 15.400 5.459 -3.542 168 HA ALA 530 HA ALA 530 16.627 3.431 -5.151 169 HB1 ALA 530 1HB ALA 530 16.694 6.136 -5.254 170 HB2 ALA 530 2HB ALA 530 17.864 5.085 -6.052 171 HB3 ALA 530 3HB ALA 530 18.243 5.794 -4.482 172 H TRP 531 H TRP 531 16.868 4.548 -1.933 173 HA TRP 531 HA TRP 531 19.461 3.713 -1.241 174 HB2 TRP 531 2HB TRP 531 18.600 3.806 1.088 175 HB3 TRP 531 1HB TRP 531 18.157 5.236 0.162 176 HD1 TRP 531 HD TRP 531 15.569 4.903 -1.056 177 HE1 TRP 531 1HE TRP 531 13.449 4.147 0.130 178 HE3 TRP 531 3HE TRP 531 17.681 2.609 2.994 179 HZ2 TRP 531 2HZ TRP 531 12.721 2.776 2.490 180 HZ3 TRP 531 3HZ TRP 531 16.194 1.603 4.678 181 HH2 TRP 531 HH TRP 531 13.765 1.685 4.431 182 H ILE 532 H ILE 532 16.651 1.964 -2.002 183 HA ILE 532 HA ILE 532 17.792 -0.478 -0.859 184 HB ILE 532 HB ILE 532 15.386 -1.256 -0.725 185 HG12 ILE 532 2HG1 ILE 532 14.995 1.667 -1.315 186 HG13 ILE 532 1HG1 ILE 532 14.161 0.287 -2.011 187 HG21 ILE 532 1HG2 ILE 532 16.684 -0.725 1.234 188 HG22 ILE 532 2HG2 ILE 532 15.053 -0.088 1.444 189 HG23 ILE 532 3HG2 ILE 532 16.376 0.997 1.008 190 HD11 ILE 532 3HD1 ILE 532 12.527 0.493 -0.538 191 HD12 ILE 532 1HD1 ILE 532 13.301 1.960 0.052 192 HD13 ILE 532 2HD1 ILE 532 13.661 0.408 0.808 193 HA PRO 533 HA PRO 533 17.518 -1.854 -5.072 194 HB2 PRO 533 2HB PRO 533 18.477 -4.318 -4.768 195 HB3 PRO 533 1HB PRO 533 19.495 -2.902 -4.478 196 HG2 PRO 533 2HG PRO 533 18.123 -4.684 -2.512 197 HG3 PRO 533 1HG PRO 533 19.738 -3.959 -2.431 198 HD2 PRO 533 2HD PRO 533 17.467 -2.968 -1.169 199 HD3 PRO 533 1HD PRO 533 18.939 -2.039 -1.507 200 H TYR 534 H TYR 534 15.736 -3.458 -2.516 201 HA TYR 534 HA TYR 534 13.823 -4.367 -4.521 202 HB2 TYR 534 2HB TYR 534 13.735 -6.649 -3.577 203 HB3 TYR 534 1HB TYR 534 15.293 -6.273 -4.305 204 HD1 TYR 534 1HD TYR 534 13.570 -6.231 -0.996 205 HD2 TYR 534 2HD TYR 534 17.228 -6.724 -3.110 206 HE1 TYR 534 1HE TYR 534 14.688 -6.868 1.100 207 HE2 TYR 534 2HE TYR 534 18.357 -7.362 -1.020 208 HH TYR 534 HH TYR 534 16.963 -6.903 2.036 209 H PHE 535 H PHE 535 14.205 -2.718 -1.764 210 HA PHE 535 HA PHE 535 11.948 -3.814 -0.303 211 HB2 PHE 535 2HB PHE 535 13.646 -1.369 0.182 212 HB3 PHE 535 1HB PHE 535 12.358 -1.902 1.248 213 HD1 PHE 535 1HD PHE 535 15.492 -3.146 -0.329 214 HD2 PHE 535 2HD PHE 535 12.893 -3.233 3.036 215 HE1 PHE 535 1HE PHE 535 17.108 -4.544 0.875 216 HE2 PHE 535 2HE PHE 535 14.503 -4.637 4.248 217 HZ PHE 535 HZ PHE 535 16.617 -5.298 3.170 218 H GLY 536 H GLY 536 12.740 -0.977 -2.226 219 HA2 GLY 536 2HA GLY 536 9.910 -0.151 -2.125 220 HA3 GLY 536 1HA GLY 536 11.256 0.929 -2.447 221 HA PRO 537 HA PRO 537 11.182 0.421 -6.826 222 HB2 PRO 537 2HB PRO 537 13.555 -1.377 -6.837 223 HB3 PRO 537 1HB PRO 537 13.279 0.127 -7.723 224 HG2 PRO 537 2HG PRO 537 14.909 0.058 -5.612 225 HG3 PRO 537 1HG PRO 537 13.861 1.455 -5.914 226 HD2 PRO 537 2HD PRO 537 13.574 -0.741 -3.921 227 HD3 PRO 537 1HD PRO 537 13.151 0.978 -3.777 228 H ALA 538 H ALA 538 11.965 -2.578 -5.132 229 HA ALA 538 HA ALA 538 10.592 -4.171 -7.157 230 HB1 ALA 538 1HB ALA 538 12.770 -4.914 -6.212 231 HB2 ALA 538 2HB ALA 538 11.473 -6.095 -6.025 232 HB3 ALA 538 3HB ALA 538 11.976 -5.112 -4.649 233 H ALA 539 H ALA 539 9.963 -2.697 -4.138 234 HA ALA 539 HA ALA 539 8.203 -4.360 -2.853 235 HB1 ALA 539 1HB ALA 539 8.895 -1.626 -2.745 236 HB2 ALA 539 2HB ALA 539 8.073 -2.593 -1.524 237 HB3 ALA 539 3HB ALA 539 7.135 -1.722 -2.737 238 H GLU 540 H GLU 540 6.878 -1.632 -4.686 239 HA GLU 540 HA GLU 540 5.194 -1.461 -6.193 240 HB2 GLU 540 2HB GLU 540 5.065 -4.463 -6.219 241 HB3 GLU 540 1HB GLU 540 4.434 -3.361 -7.430 242 HG2 GLU 540 2HG GLU 540 6.814 -2.614 -7.805 243 HG3 GLU 540 1HG GLU 540 7.301 -3.985 -6.810 244 H GLY 541 H GLY 541 4.647 -3.987 -3.748 245 HA2 GLY 541 2HA GLY 541 1.876 -3.010 -3.499 246 HA3 GLY 541 1HA GLY 541 2.405 -4.627 -3.065 247 H ILE 542 H ILE 542 4.172 -1.716 -2.254 248 HA ILE 542 HA ILE 542 3.171 -1.723 0.475 249 HB ILE 542 HB ILE 542 6.134 -1.790 0.201 250 HG12 ILE 542 2HG1 ILE 542 5.983 -4.312 0.669 251 HG13 ILE 542 1HG1 ILE 542 4.343 -4.206 0.039 252 HG21 ILE 542 1HG2 ILE 542 4.684 -3.169 2.373 253 HG22 ILE 542 2HG2 ILE 542 4.522 -1.415 2.300 254 HG23 ILE 542 3HG2 ILE 542 6.120 -2.148 2.435 255 HD11 ILE 542 3HD1 ILE 542 5.802 -2.938 -1.898 256 HD12 ILE 542 1HD1 ILE 542 5.277 -4.622 -1.939 257 HD13 ILE 542 2HD1 ILE 542 6.893 -4.217 -1.361 258 H TYR 543 H TYR 543 5.191 -0.359 -2.039 259 HA TYR 543 HA TYR 543 5.432 2.143 -0.601 260 HB2 TYR 543 2HB TYR 543 7.345 2.433 -1.763 261 HB3 TYR 543 1HB TYR 543 7.224 0.706 -2.019 262 HD1 TYR 543 2HD TYR 543 5.893 -0.021 -4.147 263 HD2 TYR 543 1HD TYR 543 7.614 3.824 -3.594 264 HE1 TYR 543 2HE TYR 543 5.881 0.326 -6.576 265 HE2 TYR 543 1HE TYR 543 7.611 4.185 -6.021 266 HH TYR 543 HH TYR 543 7.536 2.092 -8.195 267 H ILE 544 H ILE 544 4.113 0.789 -3.574 268 HA ILE 544 HA ILE 544 2.897 1.703 -5.293 269 HB ILE 544 HB ILE 544 1.247 2.803 -3.039 270 HG12 ILE 544 2HG1 ILE 544 0.145 0.533 -3.056 271 HG13 ILE 544 1HG1 ILE 544 1.523 -0.049 -3.982 272 HG21 ILE 544 1HG2 ILE 544 0.776 2.036 -5.871 273 HG22 ILE 544 2HG2 ILE 544 0.171 3.419 -4.960 274 HG23 ILE 544 3HG2 ILE 544 -0.534 1.822 -4.710 275 HD11 ILE 544 3HD1 ILE 544 2.847 -0.126 -2.183 276 HD12 ILE 544 1HD1 ILE 544 1.329 -0.141 -1.291 277 HD13 ILE 544 2HD1 ILE 544 2.207 1.372 -1.511 278 H GLU 545 H GLU 545 2.442 4.197 -2.832 279 HA GLU 545 HA GLU 545 2.731 6.446 -2.837 280 HB2 GLU 545 2HB GLU 545 4.512 6.069 -5.238 281 HB3 GLU 545 1HB GLU 545 4.539 7.388 -4.071 282 HG2 GLU 545 2HG GLU 545 5.092 5.637 -2.328 283 HG3 GLU 545 1HG GLU 545 5.383 4.536 -3.672 284 H GLY 546 H GLY 546 0.596 5.219 -4.285 285 HA2 GLY 546 2HA GLY 546 -0.016 7.445 -6.101 286 HA3 GLY 546 1HA GLY 546 -0.266 5.796 -6.651 287 H LEU 547 H LEU 547 -0.949 5.629 -3.464 288 HA LEU 547 HA LEU 547 -3.680 6.666 -3.679 289 HB2 LEU 547 2HB LEU 547 -4.759 4.649 -3.308 290 HB3 LEU 547 1HB LEU 547 -3.525 4.261 -4.488 291 HG LEU 547 HG LEU 547 -3.355 3.693 -1.528 292 HD11 LEU 547 1HD1 LEU 547 -3.412 1.304 -2.378 293 HD12 LEU 547 2HD1 LEU 547 -3.989 1.968 -3.906 294 HD13 LEU 547 3HD1 LEU 547 -4.932 2.197 -2.433 295 HD21 LEU 547 3HD2 LEU 547 -1.152 3.807 -2.018 296 HD22 LEU 547 1HD2 LEU 547 -1.411 3.565 -3.745 297 HD23 LEU 547 2HD2 LEU 547 -1.443 2.185 -2.647 298 H MET 548 H MET 548 -0.965 6.135 -1.791 299 HA MET 548 HA MET 548 -2.173 5.790 0.747 300 HB2 MET 548 2HB MET 548 0.170 6.764 1.497 301 HB3 MET 548 1HB MET 548 0.009 5.132 0.874 302 HG2 MET 548 2HG MET 548 1.944 6.218 -0.073 303 HG3 MET 548 1HG MET 548 0.754 5.898 -1.329 304 HE1 MET 548 3HE MET 548 0.343 7.128 -2.910 305 HE2 MET 548 1HE MET 548 1.494 8.425 -3.229 306 HE3 MET 548 2HE MET 548 -0.192 8.807 -2.885 307 H HIS 549 H HIS 549 -3.834 7.528 0.278 308 HA HIS 549 HA HIS 549 -2.875 10.022 1.498 309 HB2 HIS 549 2HB HIS 549 -5.091 10.541 -0.294 310 HB3 HIS 549 1HB HIS 549 -3.525 11.330 -0.198 311 HD1 HIS 549 1HD HIS 549 -5.459 9.899 -2.635 312 HD2 HIS 549 2HD HIS 549 -1.541 9.206 -1.447 313 HE1 HIS 549 1HE HIS 549 -4.338 8.835 -4.615 314 HE2 HIS 549 2HE HIS 549 -1.930 8.567 -3.923 315 H ASN 550 H ASN 550 -4.149 7.751 2.695 316 HA ASN 550 HA ASN 550 -5.840 7.220 4.128 317 HB2 ASN 550 2HB ASN 550 -5.047 9.557 4.940 318 HB3 ASN 550 1HB ASN 550 -6.562 10.134 4.254 319 HD21 ASN 550 1HD2 ASN 550 -7.123 10.761 6.402 320 HD22 ASN 550 2HD2 ASN 550 -7.741 9.594 7.516 321 H GLN 551 H GLN 551 -7.224 6.104 2.812 322 HA GLN 551 HA GLN 551 -9.494 7.632 1.747 323 HB2 GLN 551 2HB GLN 551 -9.337 5.262 0.251 324 HB3 GLN 551 1HB GLN 551 -9.032 6.897 -0.306 325 HG2 GLN 551 2HG GLN 551 -7.022 6.114 -0.863 326 HG3 GLN 551 1HG GLN 551 -6.645 6.268 0.849 327 HE21 GLN 551 1HE2 GLN 551 -6.518 4.427 2.118 328 HE22 GLN 551 2HE2 GLN 551 -6.482 2.834 1.454 329 H ASP 552 H ASP 552 -8.817 4.196 1.995 330 HA ASP 552 HA ASP 552 -9.862 2.484 3.072 331 HB2 ASP 552 2HB ASP 552 -9.845 4.502 4.939 332 HB3 ASP 552 1HB ASP 552 -11.559 4.109 4.837 333 H GLY 553 H GLY 553 -11.045 4.007 0.800 334 HA2 GLY 553 2HA GLY 553 -13.801 2.994 1.095 335 HA3 GLY 553 1HA GLY 553 -13.484 4.557 0.356 336 H LEU 554 H LEU 554 -11.120 3.748 -1.036 337 HA LEU 554 HA LEU 554 -12.351 2.545 -3.351 338 HB2 LEU 554 2HB LEU 554 -10.221 3.029 -4.437 339 HB3 LEU 554 1HB LEU 554 -10.849 4.436 -3.599 340 HG LEU 554 HG LEU 554 -9.228 3.327 -1.681 341 HD11 LEU 554 1HD1 LEU 554 -8.520 1.871 -3.828 342 HD12 LEU 554 2HD1 LEU 554 -7.406 2.304 -2.534 343 HD13 LEU 554 3HD1 LEU 554 -7.434 3.246 -4.024 344 HD21 LEU 554 3HD2 LEU 554 -7.573 5.101 -2.499 345 HD22 LEU 554 1HD2 LEU 554 -9.191 5.637 -2.047 346 HD23 LEU 554 2HD2 LEU 554 -8.766 5.456 -3.749 347 H ILE 555 H ILE 555 -11.124 1.236 -0.640 348 HA ILE 555 HA ILE 555 -10.346 -1.228 -2.005 349 HB ILE 555 HB ILE 555 -8.505 -1.586 -0.416 350 HG12 ILE 555 2HG1 ILE 555 -9.303 -0.135 1.406 351 HG13 ILE 555 1HG1 ILE 555 -7.658 0.249 0.945 352 HG21 ILE 555 1HG2 ILE 555 -7.325 0.764 -1.356 353 HG22 ILE 555 2HG2 ILE 555 -8.542 0.325 -2.556 354 HG23 ILE 555 3HG2 ILE 555 -7.289 -0.834 -2.104 355 HD11 ILE 555 3HD1 ILE 555 -9.058 1.958 -0.613 356 HD12 ILE 555 1HD1 ILE 555 -8.354 2.350 0.951 357 HD13 ILE 555 2HD1 ILE 555 -10.050 1.892 0.841 358 H CYS 556 H CYS 556 -11.166 0.377 1.025 359 HA CYS 556 HA CYS 556 -12.286 -2.144 2.013 360 HB2 CYS 556 2HB CYS 556 -10.447 -0.476 3.208 361 HB3 CYS 556 1HB CYS 556 -11.961 0.033 3.952 362 H GLY 557 H GLY 557 -14.437 -2.277 1.943 363 HA2 GLY 557 2HA GLY 557 -16.042 0.027 2.715 364 HA3 GLY 557 1HA GLY 557 -16.278 -0.558 1.078 365 H LEU 558 H LEU 558 -16.747 -2.977 0.928 366 HA LEU 558 HA LEU 558 -18.262 -3.908 3.254 367 HB2 LEU 558 2HB LEU 558 -20.158 -4.533 1.901 368 HB3 LEU 558 1HB LEU 558 -19.846 -2.816 1.738 369 HG LEU 558 HG LEU 558 -19.010 -4.889 -0.291 370 HD11 LEU 558 1HD1 LEU 558 -21.573 -4.219 0.220 371 HD12 LEU 558 2HD1 LEU 558 -20.965 -4.661 -1.375 372 HD13 LEU 558 3HD1 LEU 558 -21.133 -2.962 -0.937 373 HD21 LEU 558 3HD2 LEU 558 -17.699 -3.225 -0.998 374 HD22 LEU 558 1HD2 LEU 558 -18.483 -2.046 0.054 375 HD23 LEU 558 2HD2 LEU 558 -19.187 -2.432 -1.515 376 H ARG 559 H ARG 559 -17.052 -4.798 0.014 377 HA ARG 559 HA ARG 559 -15.656 -7.047 0.919 378 HB2 ARG 559 2HB ARG 559 -17.047 -8.880 0.225 379 HB3 ARG 559 1HB ARG 559 -17.973 -7.882 1.337 380 HG2 ARG 559 2HG ARG 559 -18.322 -7.058 -1.419 381 HG3 ARG 559 1HG ARG 559 -18.781 -8.744 -1.157 382 HD2 ARG 559 2HD ARG 559 -19.753 -7.032 0.965 383 HD3 ARG 559 1HD ARG 559 -20.308 -6.480 -0.615 384 HE ARG 559 HE ARG 559 -20.635 -9.309 -0.135 385 HH11 ARG 559 1HH1 ARG 559 -22.090 -6.145 0.114 386 HH12 ARG 559 2HH1 ARG 559 -23.710 -6.756 0.150 387 HH21 ARG 559 1HH2 ARG 559 -22.765 -10.113 -0.087 388 HH22 ARG 559 2HH2 ARG 559 -24.093 -9.008 0.035 389 H GLN 560 H GLN 560 -15.273 -4.931 -0.869 390 HA GLN 560 HA GLN 560 -15.208 -6.217 -3.501 391 HB2 GLN 560 2HB GLN 560 -14.947 -4.074 -4.462 392 HB3 GLN 560 1HB GLN 560 -16.157 -3.885 -3.200 393 HG2 GLN 560 2HG GLN 560 -13.645 -3.374 -2.021 394 HG3 GLN 560 1HG GLN 560 -13.693 -2.502 -3.551 395 HE21 GLN 560 1HE2 GLN 560 -15.410 -3.029 -0.529 396 HE22 GLN 560 2HE2 GLN 560 -16.206 -1.497 -0.502 Start of MODEL 16 1 H1 ALA 507 1HT ALA 507 -14.244 -14.961 -2.729 2 H2 ALA 507 2HT ALA 507 -15.017 -14.602 -1.239 3 H3 ALA 507 3HT ALA 507 -13.326 -14.365 -1.410 4 HA ALA 507 HA ALA 507 -13.610 -12.613 -2.879 5 HB1 ALA 507 1HB ALA 507 -15.941 -11.887 -3.503 6 HB2 ALA 507 2HB ALA 507 -16.503 -13.440 -2.882 7 HB3 ALA 507 3HB ALA 507 -15.385 -13.387 -4.244 8 H GLN 508 H GLN 508 -14.911 -10.462 -2.406 9 HA GLN 508 HA GLN 508 -15.599 -8.858 -0.934 10 HB2 GLN 508 2HB GLN 508 -17.032 -10.692 0.077 11 HB3 GLN 508 1HB GLN 508 -15.724 -10.974 1.218 12 HG2 GLN 508 2HG GLN 508 -16.798 -9.511 2.504 13 HG3 GLN 508 1HG GLN 508 -16.080 -8.292 1.453 14 HE21 GLN 508 1HE2 GLN 508 -17.484 -8.288 -0.758 15 HE22 GLN 508 2HE2 GLN 508 -19.157 -7.972 -0.471 16 HA PRO 509 HA PRO 509 -11.182 -9.134 0.601 17 HB2 PRO 509 2HB PRO 509 -10.614 -7.060 -1.375 18 HB3 PRO 509 1HB PRO 509 -9.853 -8.636 -1.171 19 HG2 PRO 509 2HG PRO 509 -11.422 -8.058 -3.282 20 HG3 PRO 509 1HG PRO 509 -11.353 -9.682 -2.572 21 HD2 PRO 509 2HD PRO 509 -13.398 -7.522 -2.160 22 HD3 PRO 509 1HD PRO 509 -13.638 -9.256 -2.455 23 H LYS 510 H LYS 510 -12.422 -8.110 2.405 24 HA LYS 510 HA LYS 510 -12.884 -5.310 2.460 25 HB2 LYS 510 2HB LYS 510 -13.227 -5.597 4.850 26 HB3 LYS 510 1HB LYS 510 -14.019 -6.898 3.972 27 HG2 LYS 510 2HG LYS 510 -11.652 -8.062 4.452 28 HG3 LYS 510 1HG LYS 510 -11.744 -6.982 5.844 29 HD2 LYS 510 2HD LYS 510 -12.823 -8.819 6.686 30 HD3 LYS 510 1HD LYS 510 -14.192 -7.942 6.001 31 HE2 LYS 510 2HE LYS 510 -14.224 -9.328 4.073 32 HE3 LYS 510 1HE LYS 510 -12.667 -10.046 4.484 33 HZ1 LYS 510 3HZ LYS 510 -13.602 -11.450 5.957 34 HZ2 LYS 510 1HZ LYS 510 -14.991 -11.201 5.023 35 HZ3 LYS 510 2HZ LYS 510 -14.775 -10.341 6.463 36 H CYS 511 H CYS 511 -11.306 -3.876 2.234 37 HA CYS 511 HA CYS 511 -9.388 -2.713 2.570 38 HB2 CYS 511 2HB CYS 511 -9.918 -4.016 5.110 39 HB3 CYS 511 1HB CYS 511 -8.193 -3.773 4.854 40 H ASN 512 H ASN 512 -8.170 -3.335 0.877 41 HA ASN 512 HA ASN 512 -6.613 -5.792 1.073 42 HB2 ASN 512 2HB ASN 512 -6.888 -3.962 -1.313 43 HB3 ASN 512 1HB ASN 512 -6.186 -5.573 -1.292 44 HD21 ASN 512 1HD2 ASN 512 -9.195 -3.838 -0.621 45 HD22 ASN 512 2HD2 ASN 512 -10.242 -5.107 -1.127 46 HA PRO 513 HA PRO 513 -3.150 -2.620 0.764 47 HB2 PRO 513 2HB PRO 513 -3.741 -0.106 -0.118 48 HB3 PRO 513 1HB PRO 513 -3.504 -1.490 -1.189 49 HG2 PRO 513 2HG PRO 513 -5.935 -0.031 -0.715 50 HG3 PRO 513 1HG PRO 513 -5.683 -1.408 -1.797 51 HD2 PRO 513 2HD PRO 513 -6.737 -1.350 0.969 52 HD3 PRO 513 1HD PRO 513 -7.074 -2.488 -0.348 53 H ASN 514 H ASN 514 -5.534 -2.321 2.820 54 HA ASN 514 HA ASN 514 -4.318 -0.110 4.333 55 HB2 ASN 514 2HB ASN 514 -7.156 -0.818 3.836 56 HB3 ASN 514 1HB ASN 514 -6.759 -0.330 5.479 57 HD21 ASN 514 1HD2 ASN 514 -6.815 0.659 2.126 58 HD22 ASN 514 2HD2 ASN 514 -6.735 2.356 2.433 59 H LEU 515 H LEU 515 -3.093 -2.382 4.520 60 HA LEU 515 HA LEU 515 -4.178 -3.911 6.755 61 HB2 LEU 515 2HB LEU 515 -1.616 -4.643 5.450 62 HB3 LEU 515 1HB LEU 515 -2.885 -5.671 6.076 63 HG LEU 515 HG LEU 515 -2.965 -6.046 3.787 64 HD11 LEU 515 1HD1 LEU 515 -5.103 -4.721 4.984 65 HD12 LEU 515 2HD1 LEU 515 -5.143 -5.725 3.535 66 HD13 LEU 515 3HD1 LEU 515 -4.932 -3.981 3.393 67 HD21 LEU 515 3HD2 LEU 515 -2.025 -4.689 2.300 68 HD22 LEU 515 1HD2 LEU 515 -1.719 -3.538 3.602 69 HD23 LEU 515 2HD2 LEU 515 -3.199 -3.421 2.651 70 H HIS 516 H HIS 516 -1.168 -2.246 5.805 71 HA HIS 516 HA HIS 516 -0.737 -1.140 8.346 72 HB2 HIS 516 2HB HIS 516 0.770 -2.535 9.408 73 HB3 HIS 516 1HB HIS 516 -0.307 -3.709 8.656 74 HD1 HIS 516 1HD HIS 516 0.647 -5.148 6.769 75 HD2 HIS 516 2HD HIS 516 3.293 -2.305 8.219 76 HE1 HIS 516 1HE HIS 516 2.840 -5.657 5.662 77 HE2 HIS 516 2HE HIS 516 4.479 -4.040 6.697 78 H TYR 517 H TYR 517 1.161 -2.557 5.668 79 HA TYR 517 HA TYR 517 3.239 -0.715 5.756 80 HB2 TYR 517 2HB TYR 517 3.014 -1.434 3.042 81 HB3 TYR 517 1HB TYR 517 4.145 -2.033 4.234 82 HD1 TYR 517 1HD TYR 517 0.460 -2.755 4.037 83 HD2 TYR 517 2HD TYR 517 4.433 -4.219 3.576 84 HE1 TYR 517 1HE TYR 517 -0.409 -5.029 3.709 85 HE2 TYR 517 2HE TYR 517 3.563 -6.491 3.246 86 HH TYR 517 HH TYR 517 1.048 -7.385 2.339 87 H TRP 518 H TRP 518 0.078 -0.300 4.447 88 HA TRP 518 HA TRP 518 1.000 2.197 3.185 89 HB2 TRP 518 2HB TRP 518 -1.625 1.108 2.361 90 HB3 TRP 518 1HB TRP 518 -0.383 1.882 1.405 91 HD1 TRP 518 HD TRP 518 0.962 -1.126 3.155 92 HE1 TRP 518 1HE TRP 518 1.175 -3.049 1.543 93 HE3 TRP 518 3HE TRP 518 -1.699 0.822 -0.738 94 HZ2 TRP 518 2HZ TRP 518 0.311 -3.725 -1.066 95 HZ3 TRP 518 3HZ TRP 518 -1.958 -0.541 -2.771 96 HH2 TRP 518 HH TRP 518 -0.968 -2.769 -2.931 97 H THR 519 H THR 519 -1.519 0.671 5.073 98 HA THR 519 HA THR 519 -3.224 2.845 5.435 99 HB THR 519 HB THR 519 -3.887 0.613 6.072 100 HG1 THR 519 1HG THR 519 -4.838 1.112 7.990 101 HG21 THR 519 3HG2 THR 519 -2.888 -0.721 7.628 102 HG22 THR 519 1HG2 THR 519 -2.156 0.633 8.487 103 HG23 THR 519 2HG2 THR 519 -1.478 0.095 6.949 104 H THR 520 H THR 520 -0.178 2.105 6.903 105 HA THR 520 HA THR 520 -0.530 4.204 8.908 106 HB THR 520 HB THR 520 1.103 1.782 8.697 107 HG1 THR 520 1HG THR 520 0.889 1.915 10.948 108 HG21 THR 520 3HG2 THR 520 3.051 3.071 8.580 109 HG22 THR 520 1HG2 THR 520 2.841 2.741 10.301 110 HG23 THR 520 2HG2 THR 520 2.396 4.316 9.644 111 H GLN 521 H GLN 521 2.185 3.207 6.839 112 HA GLN 521 HA GLN 521 2.960 6.012 6.642 113 HB2 GLN 521 2HB GLN 521 5.148 5.233 6.057 114 HB3 GLN 521 1HB GLN 521 4.596 4.312 7.446 115 HG2 GLN 521 2HG GLN 521 4.587 2.369 6.335 116 HG3 GLN 521 1HG GLN 521 4.028 3.097 4.836 117 HE21 GLN 521 1HE2 GLN 521 5.974 4.970 4.347 118 HE22 GLN 521 2HE2 GLN 521 7.487 4.190 4.074 119 H ASP 522 H ASP 522 4.465 6.009 4.412 120 HA ASP 522 HA ASP 522 2.449 6.128 2.335 121 HB2 ASP 522 2HB ASP 522 4.762 7.585 2.980 122 HB3 ASP 522 1HB ASP 522 5.076 6.827 1.425 123 H GLU 523 H GLU 523 3.587 3.520 3.277 124 HA GLU 523 HA GLU 523 4.038 1.488 2.353 125 HB2 GLU 523 2HB GLU 523 3.885 2.836 -0.339 126 HB3 GLU 523 1HB GLU 523 3.659 1.130 0.017 127 HG2 GLU 523 2HG GLU 523 1.568 1.469 0.955 128 HG3 GLU 523 1HG GLU 523 1.859 3.188 1.214 129 H GLY 524 H GLY 524 6.023 4.008 2.391 130 HA2 GLY 524 2HA GLY 524 8.406 3.321 2.654 131 HA3 GLY 524 1HA GLY 524 8.226 2.550 1.085 132 H ALA 525 H ALA 525 6.622 5.580 1.622 133 HA ALA 525 HA ALA 525 8.618 6.836 -0.128 134 HB1 ALA 525 1HB ALA 525 6.985 7.820 -1.315 135 HB2 ALA 525 2HB ALA 525 6.003 8.145 0.113 136 HB3 ALA 525 3HB ALA 525 5.980 6.545 -0.626 137 H ALA 526 H ALA 526 7.959 6.758 3.034 138 HA ALA 526 HA ALA 526 8.104 9.591 3.492 139 HB1 ALA 526 1HB ALA 526 7.925 8.936 5.915 140 HB2 ALA 526 2HB ALA 526 7.723 7.276 5.358 141 HB3 ALA 526 3HB ALA 526 6.545 8.507 4.905 142 H ILE 527 H ILE 527 10.308 7.640 2.533 143 HA ILE 527 HA ILE 527 12.390 8.705 4.309 144 HB ILE 527 HB ILE 527 13.300 6.268 3.130 145 HG12 ILE 527 2HG1 ILE 527 11.713 4.760 4.453 146 HG13 ILE 527 1HG1 ILE 527 10.614 6.123 4.499 147 HG21 ILE 527 1HG2 ILE 527 12.945 7.429 5.835 148 HG22 ILE 527 2HG2 ILE 527 14.397 6.815 5.044 149 HG23 ILE 527 3HG2 ILE 527 13.216 5.690 5.717 150 HD11 ILE 527 3HD1 ILE 527 10.714 4.196 2.566 151 HD12 ILE 527 1HD1 ILE 527 11.599 5.530 1.830 152 HD13 ILE 527 2HD1 ILE 527 9.952 5.777 2.409 153 H GLY 528 H GLY 528 11.690 7.355 1.083 154 HA2 GLY 528 2HA GLY 528 12.613 9.242 -0.545 155 HA3 GLY 528 1HA GLY 528 14.125 8.567 0.032 156 H LEU 529 H LEU 529 12.558 5.889 0.137 157 HA LEU 529 HA LEU 529 12.165 4.091 -1.195 158 HB2 LEU 529 2HB LEU 529 11.395 6.292 -2.806 159 HB3 LEU 529 1HB LEU 529 12.302 5.192 -3.825 160 HG LEU 529 HG LEU 529 9.699 4.748 -2.425 161 HD11 LEU 529 1HD1 LEU 529 10.767 4.725 -5.181 162 HD12 LEU 529 2HD1 LEU 529 9.206 5.273 -4.572 163 HD13 LEU 529 3HD1 LEU 529 9.507 3.550 -4.802 164 HD21 LEU 529 3HD2 LEU 529 10.734 2.836 -1.660 165 HD22 LEU 529 1HD2 LEU 529 11.773 2.708 -3.078 166 HD23 LEU 529 2HD2 LEU 529 10.060 2.300 -3.202 167 H ALA 530 H ALA 530 14.425 6.285 -2.749 168 HA ALA 530 HA ALA 530 15.990 4.125 -3.768 169 HB1 ALA 530 1HB ALA 530 15.841 6.128 -5.075 170 HB2 ALA 530 2HB ALA 530 17.515 5.888 -4.577 171 HB3 ALA 530 3HB ALA 530 16.513 7.086 -3.756 172 H TRP 531 H TRP 531 15.847 3.798 -1.082 173 HA TRP 531 HA TRP 531 18.577 4.407 -0.164 174 HB2 TRP 531 2HB TRP 531 17.568 4.125 2.174 175 HB3 TRP 531 1HB TRP 531 17.107 5.581 1.296 176 HD1 TRP 531 HD TRP 531 14.720 5.259 -0.139 177 HE1 TRP 531 1HE TRP 531 12.542 4.229 0.694 178 HE3 TRP 531 3HE TRP 531 16.567 2.588 3.794 179 HZ2 TRP 531 2HZ TRP 531 11.684 2.509 2.788 180 HZ3 TRP 531 3HZ TRP 531 15.003 1.282 5.174 181 HH2 TRP 531 HH TRP 531 12.611 1.246 4.681 182 H ILE 532 H ILE 532 16.243 2.065 -0.960 183 HA ILE 532 HA ILE 532 17.804 -0.077 0.317 184 HB ILE 532 HB ILE 532 15.760 -1.463 -0.060 185 HG12 ILE 532 2HG1 ILE 532 14.951 0.871 -1.507 186 HG13 ILE 532 1HG1 ILE 532 14.148 -0.683 -1.387 187 HG21 ILE 532 1HG2 ILE 532 14.471 -0.417 1.810 188 HG22 ILE 532 2HG2 ILE 532 15.570 0.958 1.709 189 HG23 ILE 532 3HG2 ILE 532 16.193 -0.638 2.128 190 HD11 ILE 532 3HD1 ILE 532 13.744 1.748 0.315 191 HD12 ILE 532 1HD1 ILE 532 13.133 0.157 0.769 192 HD13 ILE 532 2HD1 ILE 532 12.578 0.924 -0.718 193 HA PRO 533 HA PRO 533 19.009 -1.658 -3.619 194 HB2 PRO 533 2HB PRO 533 18.671 -4.351 -3.333 195 HB3 PRO 533 1HB PRO 533 20.005 -3.453 -2.602 196 HG2 PRO 533 2HG PRO 533 17.433 -4.363 -1.372 197 HG3 PRO 533 1HG PRO 533 19.074 -4.409 -0.700 198 HD2 PRO 533 2HD PRO 533 17.296 -2.511 -0.000 199 HD3 PRO 533 1HD PRO 533 19.034 -2.173 -0.117 200 H TYR 534 H TYR 534 16.036 -3.246 -2.441 201 HA TYR 534 HA TYR 534 14.645 -2.553 -4.863 202 HB2 TYR 534 2HB TYR 534 14.102 -4.996 -5.370 203 HB3 TYR 534 1HB TYR 534 15.709 -4.425 -5.807 204 HD1 TYR 534 1HD TYR 534 13.807 -6.412 -3.338 205 HD2 TYR 534 2HD TYR 534 17.656 -5.372 -4.821 206 HE1 TYR 534 1HE TYR 534 14.801 -8.233 -2.018 207 HE2 TYR 534 2HE TYR 534 18.661 -7.192 -3.508 208 HH TYR 534 HH TYR 534 17.301 -9.661 -2.442 209 H PHE 535 H PHE 535 14.507 -2.947 -1.644 210 HA PHE 535 HA PHE 535 12.124 -4.403 -1.240 211 HB2 PHE 535 2HB PHE 535 12.981 -2.154 0.558 212 HB3 PHE 535 1HB PHE 535 12.201 -3.670 0.984 213 HD1 PHE 535 1HD PHE 535 14.127 -5.390 -0.748 214 HD2 PHE 535 2HD PHE 535 14.726 -2.352 2.171 215 HE1 PHE 535 1HE PHE 535 16.324 -6.354 -0.199 216 HE2 PHE 535 2HE PHE 535 16.923 -3.307 2.723 217 HZ PHE 535 HZ PHE 535 17.725 -5.310 1.538 218 H GLY 536 H GLY 536 12.739 -1.141 -2.233 219 HA2 GLY 536 2HA GLY 536 9.880 -0.493 -1.939 220 HA3 GLY 536 1HA GLY 536 11.172 0.689 -2.052 221 HA PRO 537 HA PRO 537 10.939 1.148 -6.429 222 HB2 PRO 537 2HB PRO 537 13.443 -0.400 -6.871 223 HB3 PRO 537 1HB PRO 537 13.012 1.224 -7.419 224 HG2 PRO 537 2HG PRO 537 14.722 0.863 -5.404 225 HG3 PRO 537 1HG PRO 537 13.554 2.198 -5.386 226 HD2 PRO 537 2HD PRO 537 13.526 -0.374 -3.876 227 HD3 PRO 537 1HD PRO 537 12.961 1.235 -3.383 228 H ALA 538 H ALA 538 12.055 -2.081 -5.495 229 HA ALA 538 HA ALA 538 10.659 -3.268 -7.774 230 HB1 ALA 538 1HB ALA 538 11.985 -5.115 -7.529 231 HB2 ALA 538 2HB ALA 538 12.130 -4.917 -5.782 232 HB3 ALA 538 3HB ALA 538 13.052 -3.877 -6.868 233 H ALA 539 H ALA 539 9.913 -2.411 -4.657 234 HA ALA 539 HA ALA 539 8.594 -4.568 -3.537 235 HB1 ALA 539 1HB ALA 539 8.946 -1.942 -2.879 236 HB2 ALA 539 2HB ALA 539 7.958 -3.091 -1.980 237 HB3 ALA 539 3HB ALA 539 7.207 -2.021 -3.164 238 H GLU 540 H GLU 540 7.036 -1.958 -5.399 239 HA GLU 540 HA GLU 540 5.298 -1.947 -6.849 240 HB2 GLU 540 2HB GLU 540 5.446 -4.949 -6.712 241 HB3 GLU 540 1HB GLU 540 4.573 -4.010 -7.911 242 HG2 GLU 540 2HG GLU 540 6.787 -3.001 -8.557 243 HG3 GLU 540 1HG GLU 540 7.542 -4.221 -7.533 244 H GLY 541 H GLY 541 4.735 -4.666 -4.597 245 HA2 GLY 541 2HA GLY 541 2.000 -3.649 -4.207 246 HA3 GLY 541 1HA GLY 541 2.537 -5.281 -3.851 247 H ILE 542 H ILE 542 4.523 -2.646 -2.854 248 HA ILE 542 HA ILE 542 3.393 -2.663 -0.160 249 HB ILE 542 HB ILE 542 6.340 -2.876 -0.288 250 HG12 ILE 542 2HG1 ILE 542 6.088 -5.422 -0.178 251 HG13 ILE 542 1HG1 ILE 542 4.486 -5.176 -0.870 252 HG21 ILE 542 1HG2 ILE 542 4.834 -4.519 1.598 253 HG22 ILE 542 2HG2 ILE 542 4.470 -2.796 1.702 254 HG23 ILE 542 3HG2 ILE 542 6.132 -3.360 1.885 255 HD11 ILE 542 3HD1 ILE 542 5.527 -5.367 -2.833 256 HD12 ILE 542 1HD1 ILE 542 7.115 -5.060 -2.129 257 HD13 ILE 542 2HD1 ILE 542 6.058 -3.707 -2.548 258 H TYR 543 H TYR 543 4.721 -0.959 -2.722 259 HA TYR 543 HA TYR 543 5.354 1.292 -1.000 260 HB2 TYR 543 2HB TYR 543 7.305 1.627 -2.077 261 HB3 TYR 543 1HB TYR 543 7.155 -0.073 -2.464 262 HD1 TYR 543 1HD TYR 543 5.861 -0.608 -4.669 263 HD2 TYR 543 2HD TYR 543 7.674 3.139 -3.790 264 HE1 TYR 543 1HE TYR 543 5.931 -0.078 -7.073 265 HE2 TYR 543 2HE TYR 543 7.753 3.680 -6.181 266 HH TYR 543 HH TYR 543 6.087 1.811 -8.543 267 H ILE 544 H ILE 544 4.028 0.184 -4.050 268 HA ILE 544 HA ILE 544 2.857 1.229 -5.721 269 HB ILE 544 HB ILE 544 1.285 2.291 -3.385 270 HG12 ILE 544 2HG1 ILE 544 0.021 0.085 -3.659 271 HG13 ILE 544 1HG1 ILE 544 1.439 -0.488 -4.531 272 HG21 ILE 544 1HG2 ILE 544 0.604 1.578 -6.223 273 HG22 ILE 544 2HG2 ILE 544 0.440 3.139 -5.420 274 HG23 ILE 544 3HG2 ILE 544 -0.620 1.802 -4.972 275 HD11 ILE 544 3HD1 ILE 544 2.213 0.709 -2.040 276 HD12 ILE 544 1HD1 ILE 544 2.491 -0.926 -2.635 277 HD13 ILE 544 2HD1 ILE 544 0.999 -0.541 -1.780 278 H GLU 545 H GLU 545 2.504 3.645 -3.174 279 HA GLU 545 HA GLU 545 2.875 5.879 -3.101 280 HB2 GLU 545 2HB GLU 545 4.770 5.396 -5.399 281 HB3 GLU 545 1HB GLU 545 4.750 6.794 -4.327 282 HG2 GLU 545 2HG GLU 545 5.088 5.069 -2.447 283 HG3 GLU 545 1HG GLU 545 5.586 3.986 -3.745 284 H GLY 546 H GLY 546 0.913 6.628 -3.650 285 HA2 GLY 546 2HA GLY 546 0.342 8.372 -5.511 286 HA3 GLY 546 1HA GLY 546 0.240 6.913 -6.484 287 H LEU 547 H LEU 547 -0.757 5.784 -3.634 288 HA LEU 547 HA LEU 547 -3.539 6.695 -4.014 289 HB2 LEU 547 2HB LEU 547 -4.377 4.536 -3.938 290 HB3 LEU 547 1HB LEU 547 -2.949 4.389 -4.942 291 HG LEU 547 HG LEU 547 -3.033 3.681 -2.011 292 HD11 LEU 547 1HD1 LEU 547 -4.495 2.219 -3.321 293 HD12 LEU 547 2HD1 LEU 547 -3.072 1.362 -2.726 294 HD13 LEU 547 3HD1 LEU 547 -3.155 1.867 -4.414 295 HD21 LEU 547 3HD2 LEU 547 -0.955 2.332 -3.073 296 HD22 LEU 547 1HD2 LEU 547 -0.814 3.921 -2.319 297 HD23 LEU 547 2HD2 LEU 547 -0.933 3.786 -4.073 298 H MET 548 H MET 548 -1.008 6.322 -1.848 299 HA MET 548 HA MET 548 -2.385 5.637 0.521 300 HB2 MET 548 2HB MET 548 0.025 7.420 0.569 301 HB3 MET 548 1HB MET 548 -0.430 6.143 1.684 302 HG2 MET 548 2HG MET 548 0.794 4.667 0.597 303 HG3 MET 548 1HG MET 548 0.014 5.052 -0.933 304 HE1 MET 548 3HE MET 548 1.236 8.493 -0.755 305 HE2 MET 548 1HE MET 548 0.450 7.456 -1.947 306 HE3 MET 548 2HE MET 548 2.090 8.037 -2.229 307 H HIS 549 H HIS 549 -4.295 6.979 0.188 308 HA HIS 549 HA HIS 549 -3.917 9.624 1.408 309 HB2 HIS 549 2HB HIS 549 -6.060 9.277 -0.645 310 HB3 HIS 549 1HB HIS 549 -5.207 10.737 -0.157 311 HD1 HIS 549 1HD HIS 549 -5.606 9.044 -3.058 312 HD2 HIS 549 2HD HIS 549 -2.177 9.976 -0.908 313 HE1 HIS 549 1HE HIS 549 -3.725 8.937 -4.717 314 HE2 HIS 549 2HE HIS 549 -1.671 9.601 -3.418 315 H ASN 550 H ASN 550 -4.611 7.157 2.615 316 HA ASN 550 HA ASN 550 -6.048 6.389 4.208 317 HB2 ASN 550 2HB ASN 550 -7.741 8.836 3.657 318 HB3 ASN 550 1HB ASN 550 -7.784 7.815 5.090 319 HD21 ASN 550 1HD2 ASN 550 -7.499 9.935 6.132 320 HD22 ASN 550 2HD2 ASN 550 -5.891 10.520 6.364 321 H GLN 551 H GLN 551 -8.113 8.015 1.806 322 HA GLN 551 HA GLN 551 -9.999 7.307 0.744 323 HB2 GLN 551 2HB GLN 551 -8.980 4.750 -0.138 324 HB3 GLN 551 1HB GLN 551 -9.321 6.195 -1.063 325 HG2 GLN 551 2HG GLN 551 -7.090 5.924 -1.465 326 HG3 GLN 551 1HG GLN 551 -7.059 7.033 -0.097 327 HE21 GLN 551 1HE2 GLN 551 -7.644 3.533 -0.103 328 HE22 GLN 551 2HE2 GLN 551 -6.272 3.136 0.864 329 H ASP 552 H ASP 552 -8.967 4.043 1.514 330 HA ASP 552 HA ASP 552 -10.010 2.317 2.560 331 HB2 ASP 552 2HB ASP 552 -10.230 4.571 4.304 332 HB3 ASP 552 1HB ASP 552 -11.730 3.657 4.404 333 H GLY 553 H GLY 553 -11.387 4.006 0.376 334 HA2 GLY 553 2HA GLY 553 -14.114 2.959 0.811 335 HA3 GLY 553 1HA GLY 553 -13.753 4.391 -0.147 336 H LEU 554 H LEU 554 -11.440 3.291 -1.407 337 HA LEU 554 HA LEU 554 -12.722 1.853 -3.548 338 HB2 LEU 554 2HB LEU 554 -10.468 1.976 -4.588 339 HB3 LEU 554 1HB LEU 554 -11.120 3.537 -4.122 340 HG LEU 554 HG LEU 554 -9.574 2.543 -1.932 341 HD11 LEU 554 1HD1 LEU 554 -7.443 2.174 -2.850 342 HD12 LEU 554 2HD1 LEU 554 -7.947 2.697 -4.456 343 HD13 LEU 554 3HD1 LEU 554 -8.535 1.169 -3.802 344 HD21 LEU 554 3HD2 LEU 554 -10.037 4.891 -2.418 345 HD22 LEU 554 1HD2 LEU 554 -9.074 4.787 -3.892 346 HD23 LEU 554 2HD2 LEU 554 -8.302 4.593 -2.317 347 H ILE 555 H ILE 555 -11.435 0.922 -0.643 348 HA ILE 555 HA ILE 555 -11.051 -1.802 -1.578 349 HB ILE 555 HB ILE 555 -8.988 -2.064 -0.253 350 HG12 ILE 555 2HG1 ILE 555 -7.772 0.214 0.129 351 HG13 ILE 555 1HG1 ILE 555 -9.405 0.874 0.156 352 HG21 ILE 555 1HG2 ILE 555 -8.321 0.117 -2.126 353 HG22 ILE 555 2HG2 ILE 555 -9.230 -1.245 -2.782 354 HG23 ILE 555 3HG2 ILE 555 -7.669 -1.518 -2.010 355 HD11 ILE 555 3HD1 ILE 555 -9.775 -1.083 1.872 356 HD12 ILE 555 1HD1 ILE 555 -9.111 0.472 2.362 357 HD13 ILE 555 2HD1 ILE 555 -8.040 -0.899 2.089 358 H CYS 556 H CYS 556 -11.632 0.456 1.019 359 HA CYS 556 HA CYS 556 -12.575 -1.788 2.666 360 HB2 CYS 556 2HB CYS 556 -10.636 0.086 3.324 361 HB3 CYS 556 1HB CYS 556 -12.077 0.692 4.126 362 H GLY 557 H GLY 557 -14.346 -0.889 0.839 363 HA2 GLY 557 2HA GLY 557 -16.667 -0.412 2.080 364 HA3 GLY 557 1HA GLY 557 -15.981 1.203 2.035 365 H LEU 558 H LEU 558 -15.873 -1.373 -0.415 366 HA LEU 558 HA LEU 558 -17.384 0.416 -2.206 367 HB2 LEU 558 2HB LEU 558 -16.058 -0.327 -4.074 368 HB3 LEU 558 1HB LEU 558 -15.005 0.314 -2.830 369 HG LEU 558 HG LEU 558 -15.493 -2.640 -3.099 370 HD11 LEU 558 1HD1 LEU 558 -13.751 -2.886 -4.608 371 HD12 LEU 558 2HD1 LEU 558 -13.130 -1.261 -4.310 372 HD13 LEU 558 3HD1 LEU 558 -14.619 -1.482 -5.230 373 HD21 LEU 558 3HD2 LEU 558 -14.084 -2.798 -1.392 374 HD22 LEU 558 1HD2 LEU 558 -14.114 -1.042 -1.248 375 HD23 LEU 558 2HD2 LEU 558 -12.883 -1.824 -2.236 376 H ARG 559 H ARG 559 -16.577 -2.905 -1.363 377 HA ARG 559 HA ARG 559 -19.178 -3.875 -1.658 378 HB2 ARG 559 2HB ARG 559 -19.014 -5.201 -3.688 379 HB3 ARG 559 1HB ARG 559 -18.733 -3.508 -4.075 380 HG2 ARG 559 2HG ARG 559 -16.270 -4.875 -3.431 381 HG3 ARG 559 1HG ARG 559 -17.129 -5.661 -4.760 382 HD2 ARG 559 2HD ARG 559 -16.797 -2.692 -4.751 383 HD3 ARG 559 1HD ARG 559 -15.450 -3.719 -5.240 384 HE ARG 559 HE ARG 559 -17.811 -3.151 -6.742 385 HH11 ARG 559 1HH1 ARG 559 -15.362 -5.569 -6.165 386 HH12 ARG 559 2HH1 ARG 559 -15.539 -6.300 -7.725 387 HH21 ARG 559 1HH2 ARG 559 -18.044 -4.111 -8.794 388 HH22 ARG 559 2HH2 ARG 559 -17.060 -5.471 -9.219 389 H GLN 560 H GLN 560 -17.000 -4.003 0.100 390 HA GLN 560 HA GLN 560 -16.367 -6.869 0.098 391 HB2 GLN 560 2HB GLN 560 -14.438 -6.104 1.607 392 HB3 GLN 560 1HB GLN 560 -14.327 -5.752 -0.110 393 HG2 GLN 560 2HG GLN 560 -13.608 -3.880 1.330 394 HG3 GLN 560 1HG GLN 560 -14.931 -3.470 0.242 395 HE21 GLN 560 1HE2 GLN 560 -16.582 -2.441 1.092 396 HE22 GLN 560 2HE2 GLN 560 -17.002 -2.397 2.767 Start of MODEL 17 1 H1 ALA 507 1HT ALA 507 -11.470 -11.774 -4.236 2 H2 ALA 507 2HT ALA 507 -11.344 -10.308 -5.119 3 H3 ALA 507 3HT ALA 507 -11.150 -11.813 -5.919 4 HA ALA 507 HA ALA 507 -13.262 -10.946 -6.416 5 HB1 ALA 507 1HB ALA 507 -13.267 -13.269 -4.501 6 HB2 ALA 507 2HB ALA 507 -13.192 -13.316 -6.262 7 HB3 ALA 507 3HB ALA 507 -14.671 -12.792 -5.456 8 H GLN 508 H GLN 508 -12.953 -11.442 -2.900 9 HA GLN 508 HA GLN 508 -14.575 -9.058 -2.458 10 HB2 GLN 508 2HB GLN 508 -15.250 -11.805 -1.406 11 HB3 GLN 508 1HB GLN 508 -15.870 -10.333 -0.674 12 HG2 GLN 508 2HG GLN 508 -16.272 -10.511 -3.568 13 HG3 GLN 508 1HG GLN 508 -17.108 -11.746 -2.629 14 HE21 GLN 508 1HE2 GLN 508 -16.364 -8.354 -1.938 15 HE22 GLN 508 2HE2 GLN 508 -18.002 -7.865 -1.680 16 HA PRO 509 HA PRO 509 -11.071 -9.841 0.594 17 HB2 PRO 509 2HB PRO 509 -9.109 -8.337 -0.404 18 HB3 PRO 509 1HB PRO 509 -9.410 -9.964 -1.022 19 HG2 PRO 509 2HG PRO 509 -10.211 -7.321 -2.178 20 HG3 PRO 509 1HG PRO 509 -9.543 -8.744 -2.998 21 HD2 PRO 509 2HD PRO 509 -12.220 -8.119 -2.927 22 HD3 PRO 509 1HD PRO 509 -11.583 -9.759 -3.152 23 H LYS 510 H LYS 510 -12.066 -8.695 2.210 24 HA LYS 510 HA LYS 510 -12.774 -5.970 2.086 25 HB2 LYS 510 2HB LYS 510 -12.909 -6.148 4.586 26 HB3 LYS 510 1HB LYS 510 -13.833 -7.365 3.715 27 HG2 LYS 510 2HG LYS 510 -11.370 -8.559 4.087 28 HG3 LYS 510 1HG LYS 510 -11.648 -7.680 5.591 29 HD2 LYS 510 2HD LYS 510 -12.703 -9.652 6.082 30 HD3 LYS 510 1HD LYS 510 -14.048 -8.754 5.375 31 HE2 LYS 510 2HE LYS 510 -14.165 -10.100 3.578 32 HE3 LYS 510 1HE LYS 510 -12.411 -10.227 3.437 33 HZ1 LYS 510 3HZ LYS 510 -13.974 -12.237 4.196 34 HZ2 LYS 510 1HZ LYS 510 -13.600 -11.585 5.712 35 HZ3 LYS 510 2HZ LYS 510 -12.360 -12.087 4.679 36 H CYS 511 H CYS 511 -11.398 -4.341 1.837 37 HA CYS 511 HA CYS 511 -9.618 -2.953 2.115 38 HB2 CYS 511 2HB CYS 511 -8.698 -4.416 4.554 39 HB3 CYS 511 1HB CYS 511 -8.757 -2.684 4.244 40 H ASN 512 H ASN 512 -8.144 -3.260 0.589 41 HA ASN 512 HA ASN 512 -6.528 -5.678 0.604 42 HB2 ASN 512 2HB ASN 512 -6.661 -3.583 -1.558 43 HB3 ASN 512 1HB ASN 512 -5.948 -5.186 -1.675 44 HD21 ASN 512 1HD2 ASN 512 -9.019 -3.545 -1.024 45 HD22 ASN 512 2HD2 ASN 512 -10.013 -4.753 -1.750 46 HA PRO 513 HA PRO 513 -3.135 -2.430 0.905 47 HB2 PRO 513 2HB PRO 513 -3.799 0.191 0.430 48 HB3 PRO 513 1HB PRO 513 -3.389 -0.979 -0.827 49 HG2 PRO 513 2HG PRO 513 -5.924 0.272 -0.373 50 HG3 PRO 513 1HG PRO 513 -5.515 -0.942 -1.595 51 HD2 PRO 513 2HD PRO 513 -6.782 -1.296 1.068 52 HD3 PRO 513 1HD PRO 513 -6.972 -2.247 -0.419 53 H ASN 514 H ASN 514 -5.935 -2.018 2.720 54 HA ASN 514 HA ASN 514 -4.595 -0.239 4.637 55 HB2 ASN 514 2HB ASN 514 -7.458 -0.762 3.962 56 HB3 ASN 514 1HB ASN 514 -7.070 -0.355 5.631 57 HD21 ASN 514 1HD2 ASN 514 -7.430 0.807 2.425 58 HD22 ASN 514 2HD2 ASN 514 -7.089 2.467 2.751 59 H LEU 515 H LEU 515 -3.322 -2.318 4.943 60 HA LEU 515 HA LEU 515 -4.615 -3.851 7.077 61 HB2 LEU 515 2HB LEU 515 -2.780 -5.589 5.823 62 HB3 LEU 515 1HB LEU 515 -4.517 -5.742 5.957 63 HG LEU 515 HG LEU 515 -3.749 -6.027 3.670 64 HD11 LEU 515 1HD1 LEU 515 -5.092 -3.596 3.115 65 HD12 LEU 515 2HD1 LEU 515 -5.800 -4.314 4.556 66 HD13 LEU 515 3HD1 LEU 515 -5.709 -5.240 3.060 67 HD21 LEU 515 3HD2 LEU 515 -3.149 -3.472 2.782 68 HD22 LEU 515 1HD2 LEU 515 -2.030 -4.821 2.959 69 HD23 LEU 515 2HD2 LEU 515 -2.214 -3.655 4.264 70 H HIS 516 H HIS 516 -1.578 -2.545 5.798 71 HA HIS 516 HA HIS 516 -0.472 -2.449 8.419 72 HB2 HIS 516 2HB HIS 516 1.476 -4.101 7.590 73 HB3 HIS 516 1HB HIS 516 0.065 -4.661 8.485 74 HD1 HIS 516 1HD HIS 516 0.214 -7.012 7.341 75 HD2 HIS 516 2HD HIS 516 -0.363 -3.849 4.715 76 HE1 HIS 516 1HE HIS 516 -0.452 -8.054 5.146 77 HE2 HIS 516 2HE HIS 516 -0.684 -6.132 3.556 78 H TYR 517 H TYR 517 1.297 -3.240 5.456 79 HA TYR 517 HA TYR 517 3.161 -1.181 5.796 80 HB2 TYR 517 2HB TYR 517 2.768 -2.361 3.107 81 HB3 TYR 517 1HB TYR 517 4.258 -1.988 3.961 82 HD1 TYR 517 2HD TYR 517 1.497 -4.401 3.666 83 HD2 TYR 517 1HD TYR 517 5.334 -3.624 5.323 84 HE1 TYR 517 2HE TYR 517 1.726 -6.784 4.242 85 HE2 TYR 517 1HE TYR 517 5.572 -6.001 5.914 86 HH TYR 517 HH TYR 517 4.571 -8.229 5.015 87 H TRP 518 H TRP 518 0.150 -0.513 5.162 88 HA TRP 518 HA TRP 518 0.850 1.755 3.466 89 HB2 TRP 518 2HB TRP 518 -1.835 0.707 2.933 90 HB3 TRP 518 1HB TRP 518 -0.633 1.301 1.820 91 HD1 TRP 518 HD TRP 518 -0.014 -1.830 3.963 92 HE1 TRP 518 1HE TRP 518 0.209 -3.806 2.392 93 HE3 TRP 518 3HE TRP 518 -1.302 0.452 -0.424 94 HZ2 TRP 518 2HZ TRP 518 -0.148 -4.393 -0.348 95 HZ3 TRP 518 3HZ TRP 518 -1.351 -0.902 -2.478 96 HH2 TRP 518 HH TRP 518 -0.784 -3.274 -2.440 97 H THR 519 H THR 519 -1.405 0.192 5.628 98 HA THR 519 HA THR 519 -2.859 2.625 6.177 99 HB THR 519 HB THR 519 -4.180 0.709 6.406 100 HG1 THR 519 1HG THR 519 -4.528 2.068 8.160 101 HG21 THR 519 3HG2 THR 519 -1.927 -0.480 7.982 102 HG22 THR 519 1HG2 THR 519 -2.681 -1.076 6.505 103 HG23 THR 519 2HG2 THR 519 -3.568 -1.129 8.027 104 H THR 520 H THR 520 0.086 1.342 7.264 105 HA THR 520 HA THR 520 -0.082 2.734 9.826 106 HB THR 520 HB THR 520 1.064 0.337 9.176 107 HG1 THR 520 1HG THR 520 1.885 0.435 11.255 108 HG21 THR 520 3HG2 THR 520 3.502 0.635 9.664 109 HG22 THR 520 1HG2 THR 520 3.304 2.346 9.282 110 HG23 THR 520 2HG2 THR 520 2.996 1.123 8.048 111 H GLN 521 H GLN 521 2.254 2.561 7.121 112 HA GLN 521 HA GLN 521 3.110 5.268 7.823 113 HB2 GLN 521 2HB GLN 521 5.147 4.843 6.701 114 HB3 GLN 521 1HB GLN 521 4.796 3.401 7.640 115 HG2 GLN 521 2HG GLN 521 4.265 2.152 5.749 116 HG3 GLN 521 1HG GLN 521 4.035 3.585 4.755 117 HE21 GLN 521 1HE2 GLN 521 6.000 4.923 4.373 118 HE22 GLN 521 2HE2 GLN 521 7.500 4.092 4.161 119 H ASP 522 H ASP 522 4.261 5.825 5.265 120 HA ASP 522 HA ASP 522 1.820 6.568 3.828 121 HB2 ASP 522 2HB ASP 522 4.499 7.784 4.154 122 HB3 ASP 522 1HB ASP 522 3.636 8.092 2.653 123 H GLU 523 H GLU 523 2.942 3.956 3.539 124 HA GLU 523 HA GLU 523 3.657 2.440 1.971 125 HB2 GLU 523 2HB GLU 523 1.938 4.387 0.523 126 HB3 GLU 523 1HB GLU 523 2.815 3.195 -0.425 127 HG2 GLU 523 2HG GLU 523 1.815 1.414 0.898 128 HG3 GLU 523 1HG GLU 523 0.925 2.616 1.825 129 H GLY 524 H GLY 524 5.840 3.242 2.492 130 HA2 GLY 524 2HA GLY 524 7.949 3.386 1.447 131 HA3 GLY 524 1HA GLY 524 7.166 4.067 0.027 132 H ALA 525 H ALA 525 5.607 5.837 1.983 133 HA ALA 525 HA ALA 525 5.751 7.991 2.645 134 HB1 ALA 525 1HB ALA 525 7.012 8.265 4.476 135 HB2 ALA 525 2HB ALA 525 8.493 7.813 3.630 136 HB3 ALA 525 3HB ALA 525 7.404 6.562 4.231 137 H ALA 526 H ALA 526 7.252 7.086 0.024 138 HA ALA 526 HA ALA 526 8.547 8.049 -1.575 139 HB1 ALA 526 1HB ALA 526 6.431 9.610 -1.144 140 HB2 ALA 526 2HB ALA 526 7.672 10.004 -2.334 141 HB3 ALA 526 3HB ALA 526 7.705 10.761 -0.741 142 H ILE 527 H ILE 527 9.520 7.962 1.343 143 HA ILE 527 HA ILE 527 11.177 10.096 1.916 144 HB ILE 527 HB ILE 527 12.662 8.142 2.942 145 HG12 ILE 527 2HG1 ILE 527 11.421 6.177 3.505 146 HG13 ILE 527 1HG1 ILE 527 9.948 6.834 2.807 147 HG21 ILE 527 1HG2 ILE 527 11.200 8.240 4.943 148 HG22 ILE 527 2HG2 ILE 527 10.001 9.085 3.965 149 HG23 ILE 527 3HG2 ILE 527 11.580 9.817 4.252 150 HD11 ILE 527 3HD1 ILE 527 10.644 6.430 0.645 151 HD12 ILE 527 1HD1 ILE 527 11.295 5.046 1.521 152 HD13 ILE 527 2HD1 ILE 527 12.350 6.393 1.092 153 H GLY 528 H GLY 528 11.538 7.680 -0.526 154 HA2 GLY 528 2HA GLY 528 13.433 8.940 -2.015 155 HA3 GLY 528 1HA GLY 528 14.382 8.044 -0.841 156 H LEU 529 H LEU 529 13.195 5.674 -0.619 157 HA LEU 529 HA LEU 529 12.785 3.649 -1.579 158 HB2 LEU 529 2HB LEU 529 12.313 5.307 -4.038 159 HB3 LEU 529 1HB LEU 529 12.175 3.565 -4.023 160 HG LEU 529 HG LEU 529 10.292 3.626 -2.577 161 HD11 LEU 529 1HD1 LEU 529 9.419 5.763 -1.666 162 HD12 LEU 529 2HD1 LEU 529 10.887 6.560 -2.237 163 HD13 LEU 529 3HD1 LEU 529 10.988 5.302 -1.005 164 HD21 LEU 529 3HD2 LEU 529 8.954 5.589 -3.864 165 HD22 LEU 529 1HD2 LEU 529 9.285 4.000 -4.554 166 HD23 LEU 529 2HD2 LEU 529 10.328 5.367 -4.946 167 H ALA 530 H ALA 530 15.172 5.778 -2.754 168 HA ALA 530 HA ALA 530 16.549 3.792 -4.292 169 HB1 ALA 530 1HB ALA 530 16.831 6.033 -5.023 170 HB2 ALA 530 2HB ALA 530 18.385 5.520 -4.365 171 HB3 ALA 530 3HB ALA 530 17.328 6.564 -3.415 172 H TRP 531 H TRP 531 16.484 4.817 -1.037 173 HA TRP 531 HA TRP 531 19.014 3.998 -0.132 174 HB2 TRP 531 2HB TRP 531 17.933 3.993 2.108 175 HB3 TRP 531 1HB TRP 531 17.560 5.450 1.193 176 HD1 TRP 531 HD TRP 531 15.103 5.168 -0.258 177 HE1 TRP 531 1HE TRP 531 12.893 4.331 0.681 178 HE3 TRP 531 3HE TRP 531 16.861 2.667 3.837 179 HZ2 TRP 531 2HZ TRP 531 11.967 2.819 2.888 180 HZ3 TRP 531 3HZ TRP 531 15.241 1.556 5.319 181 HH2 TRP 531 HH TRP 531 12.844 1.632 4.853 182 H ILE 532 H ILE 532 16.346 2.215 -1.234 183 HA ILE 532 HA ILE 532 17.413 -0.234 -0.034 184 HB ILE 532 HB ILE 532 15.033 -1.076 -0.213 185 HG12 ILE 532 2HG1 ILE 532 14.633 1.847 -0.784 186 HG13 ILE 532 1HG1 ILE 532 13.909 0.462 -1.585 187 HG21 ILE 532 1HG2 ILE 532 14.408 0.009 1.932 188 HG22 ILE 532 2HG2 ILE 532 15.735 1.148 1.689 189 HG23 ILE 532 3HG2 ILE 532 16.075 -0.571 1.901 190 HD11 ILE 532 3HD1 ILE 532 13.075 0.467 1.135 191 HD12 ILE 532 1HD1 ILE 532 12.109 0.678 -0.325 192 HD13 ILE 532 2HD1 ILE 532 12.836 2.079 0.459 193 HA PRO 533 HA PRO 533 17.679 -1.504 -4.279 194 HB2 PRO 533 2HB PRO 533 18.642 -3.958 -3.921 195 HB3 PRO 533 1HB PRO 533 19.585 -2.535 -3.464 196 HG2 PRO 533 2HG PRO 533 18.012 -4.400 -1.741 197 HG3 PRO 533 1HG PRO 533 19.586 -3.648 -1.431 198 HD2 PRO 533 2HD PRO 533 17.145 -2.739 -0.452 199 HD3 PRO 533 1HD PRO 533 18.630 -1.776 -0.559 200 H TYR 534 H TYR 534 15.621 -3.206 -2.010 201 HA TYR 534 HA TYR 534 13.989 -4.091 -4.257 202 HB2 TYR 534 2HB TYR 534 13.838 -6.400 -3.410 203 HB3 TYR 534 1HB TYR 534 15.473 -5.974 -3.905 204 HD1 TYR 534 1HD TYR 534 13.311 -6.086 -0.867 205 HD2 TYR 534 2HD TYR 534 17.238 -6.421 -2.468 206 HE1 TYR 534 1HE TYR 534 14.147 -6.772 1.342 207 HE2 TYR 534 2HE TYR 534 18.085 -7.108 -0.264 208 HH TYR 534 HH TYR 534 17.495 -6.963 2.063 209 H PHE 535 H PHE 535 14.005 -2.518 -1.433 210 HA PHE 535 HA PHE 535 11.615 -3.693 -0.280 211 HB2 PHE 535 2HB PHE 535 13.207 -1.243 0.464 212 HB3 PHE 535 1HB PHE 535 11.803 -1.806 1.354 213 HD1 PHE 535 2HD PHE 535 15.111 -3.003 0.137 214 HD2 PHE 535 1HD PHE 535 12.130 -3.169 3.166 215 HE1 PHE 535 2HE PHE 535 16.580 -4.422 1.497 216 HE2 PHE 535 1HE PHE 535 13.596 -4.588 4.535 217 HZ PHE 535 HZ PHE 535 15.826 -5.222 3.702 218 H GLY 536 H GLY 536 12.555 -0.819 -2.076 219 HA2 GLY 536 2HA GLY 536 9.707 -0.069 -2.276 220 HA3 GLY 536 1HA GLY 536 11.037 1.074 -2.372 221 HA PRO 537 HA PRO 537 11.545 0.788 -6.743 222 HB2 PRO 537 2HB PRO 537 13.954 -0.951 -6.522 223 HB3 PRO 537 1HB PRO 537 13.745 0.575 -7.385 224 HG2 PRO 537 2HG PRO 537 15.096 0.481 -5.090 225 HG3 PRO 537 1HG PRO 537 14.037 1.852 -5.471 226 HD2 PRO 537 2HD PRO 537 13.591 -0.434 -3.610 227 HD3 PRO 537 1HD PRO 537 13.086 1.260 -3.457 228 H ALA 538 H ALA 538 12.264 -2.293 -5.152 229 HA ALA 538 HA ALA 538 11.265 -3.832 -7.395 230 HB1 ALA 538 1HB ALA 538 12.148 -4.753 -4.660 231 HB2 ALA 538 2HB ALA 538 13.183 -4.636 -6.085 232 HB3 ALA 538 3HB ALA 538 11.842 -5.782 -6.062 233 H ALA 539 H ALA 539 10.147 -2.639 -4.333 234 HA ALA 539 HA ALA 539 8.011 -4.355 -3.825 235 HB1 ALA 539 1HB ALA 539 8.830 -1.678 -2.976 236 HB2 ALA 539 2HB ALA 539 8.197 -3.027 -2.034 237 HB3 ALA 539 3HB ALA 539 7.091 -1.963 -2.903 238 H GLU 540 H GLU 540 5.735 -3.968 -4.068 239 HA GLU 540 HA GLU 540 4.851 -2.196 -6.184 240 HB2 GLU 540 2HB GLU 540 4.361 -5.171 -6.410 241 HB3 GLU 540 1HB GLU 540 3.850 -3.928 -7.543 242 HG2 GLU 540 2HG GLU 540 6.346 -3.424 -7.815 243 HG3 GLU 540 1HG GLU 540 6.603 -4.982 -7.032 244 H GLY 541 H GLY 541 4.169 -4.580 -3.721 245 HA2 GLY 541 2HA GLY 541 1.455 -3.455 -3.414 246 HA3 GLY 541 1HA GLY 541 1.880 -5.114 -3.007 247 H ILE 542 H ILE 542 3.852 -2.307 -2.323 248 HA ILE 542 HA ILE 542 3.078 -2.281 0.482 249 HB ILE 542 HB ILE 542 6.005 -2.501 -0.094 250 HG12 ILE 542 2HG1 ILE 542 5.718 -4.989 0.531 251 HG13 ILE 542 1HG1 ILE 542 4.044 -4.777 0.022 252 HG21 ILE 542 1HG2 ILE 542 4.871 -1.840 2.134 253 HG22 ILE 542 2HG2 ILE 542 6.213 -2.984 2.155 254 HG23 ILE 542 3HG2 ILE 542 4.555 -3.568 2.288 255 HD11 ILE 542 3HD1 ILE 542 6.448 -5.079 -1.564 256 HD12 ILE 542 1HD1 ILE 542 5.500 -3.669 -2.042 257 HD13 ILE 542 2HD1 ILE 542 4.757 -5.272 -2.022 258 H TYR 543 H TYR 543 4.963 -1.015 -2.190 259 HA TYR 543 HA TYR 543 5.305 1.495 -0.786 260 HB2 TYR 543 2HB TYR 543 7.258 1.691 -1.885 261 HB3 TYR 543 1HB TYR 543 7.087 -0.034 -2.098 262 HD1 TYR 543 1HD TYR 543 5.835 -0.775 -4.268 263 HD2 TYR 543 2HD TYR 543 7.668 3.021 -3.732 264 HE1 TYR 543 1HE TYR 543 5.972 -0.509 -6.700 265 HE2 TYR 543 2HE TYR 543 7.811 3.305 -6.165 266 HH TYR 543 HH TYR 543 7.812 1.993 -8.180 267 H ILE 544 H ILE 544 4.129 0.159 -3.837 268 HA ILE 544 HA ILE 544 2.907 1.014 -5.556 269 HB ILE 544 HB ILE 544 1.285 2.241 -3.345 270 HG12 ILE 544 2HG1 ILE 544 0.084 0.053 -3.285 271 HG13 ILE 544 1HG1 ILE 544 1.360 -0.629 -4.286 272 HG21 ILE 544 1HG2 ILE 544 0.700 1.287 -6.128 273 HG22 ILE 544 2HG2 ILE 544 0.406 2.875 -5.425 274 HG23 ILE 544 3HG2 ILE 544 -0.575 1.497 -4.929 275 HD11 ILE 544 3HD1 ILE 544 2.822 -0.732 -2.573 276 HD12 ILE 544 1HD1 ILE 544 1.333 -0.820 -1.636 277 HD13 ILE 544 2HD1 ILE 544 2.191 0.712 -1.789 278 H GLU 545 H GLU 545 2.518 3.640 -3.220 279 HA GLU 545 HA GLU 545 2.916 5.873 -3.318 280 HB2 GLU 545 2HB GLU 545 4.518 5.615 -5.817 281 HB3 GLU 545 1HB GLU 545 4.780 6.653 -4.423 282 HG2 GLU 545 2HG GLU 545 4.996 3.916 -3.636 283 HG3 GLU 545 1HG GLU 545 6.021 4.221 -5.032 284 H GLY 546 H GLY 546 0.724 4.585 -4.739 285 HA2 GLY 546 2HA GLY 546 0.103 6.810 -6.555 286 HA3 GLY 546 1HA GLY 546 -0.130 5.161 -7.113 287 H LEU 547 H LEU 547 -0.850 4.914 -3.958 288 HA LEU 547 HA LEU 547 -3.603 5.916 -4.231 289 HB2 LEU 547 2HB LEU 547 -4.625 3.897 -3.852 290 HB3 LEU 547 1HB LEU 547 -3.276 3.432 -4.869 291 HG LEU 547 HG LEU 547 -3.388 3.149 -1.865 292 HD11 LEU 547 1HD1 LEU 547 -3.437 1.014 -3.991 293 HD12 LEU 547 2HD1 LEU 547 -4.863 1.604 -3.141 294 HD13 LEU 547 3HD1 LEU 547 -3.578 0.791 -2.248 295 HD21 LEU 547 3HD2 LEU 547 -1.160 3.193 -2.061 296 HD22 LEU 547 1HD2 LEU 547 -1.211 2.992 -3.811 297 HD23 LEU 547 2HD2 LEU 547 -1.342 1.584 -2.760 298 H MET 548 H MET 548 -0.890 5.640 -2.333 299 HA MET 548 HA MET 548 -2.090 5.381 0.224 300 HB2 MET 548 2HB MET 548 0.216 6.455 0.924 301 HB3 MET 548 1HB MET 548 0.109 4.792 0.373 302 HG2 MET 548 2HG MET 548 2.009 5.913 -0.618 303 HG3 MET 548 1HG MET 548 0.838 5.475 -1.856 304 HE1 MET 548 3HE MET 548 1.462 7.913 -3.889 305 HE2 MET 548 1HE MET 548 -0.235 8.262 -3.562 306 HE3 MET 548 2HE MET 548 0.353 6.601 -3.493 307 H HIS 549 H HIS 549 -3.773 7.068 -0.524 308 HA HIS 549 HA HIS 549 -2.889 9.711 0.435 309 HB2 HIS 549 2HB HIS 549 -5.365 9.615 -1.165 310 HB3 HIS 549 1HB HIS 549 -4.050 10.782 -1.193 311 HD1 HIS 549 1HD HIS 549 -5.599 8.957 -3.540 312 HD2 HIS 549 2HD HIS 549 -1.641 8.898 -2.282 313 HE1 HIS 549 1HE HIS 549 -4.302 7.986 -5.458 314 HE2 HIS 549 2HE HIS 549 -1.893 8.084 -4.724 315 H ASN 550 H ASN 550 -3.947 7.357 1.912 316 HA ASN 550 HA ASN 550 -5.381 6.907 3.618 317 HB2 ASN 550 2HB ASN 550 -5.728 9.908 3.524 318 HB3 ASN 550 1HB ASN 550 -6.379 8.879 4.796 319 HD21 ASN 550 1HD2 ASN 550 -4.457 11.035 4.996 320 HD22 ASN 550 2HD2 ASN 550 -3.026 10.351 5.680 321 H GLN 551 H GLN 551 -6.719 5.745 2.116 322 HA GLN 551 HA GLN 551 -9.204 7.134 1.404 323 HB2 GLN 551 2HB GLN 551 -8.995 4.529 0.188 324 HB3 GLN 551 1HB GLN 551 -9.183 6.098 -0.573 325 HG2 GLN 551 2HG GLN 551 -7.170 5.806 -1.442 326 HG3 GLN 551 1HG GLN 551 -6.509 6.026 0.175 327 HE21 GLN 551 1HE2 GLN 551 -6.584 3.964 1.533 328 HE22 GLN 551 2HE2 GLN 551 -6.090 2.513 0.742 329 H ASP 552 H ASP 552 -8.495 3.724 1.864 330 HA ASP 552 HA ASP 552 -9.449 2.103 3.140 331 HB2 ASP 552 2HB ASP 552 -8.746 3.739 4.967 332 HB3 ASP 552 1HB ASP 552 -10.420 4.287 4.984 333 H GLY 553 H GLY 553 -11.051 3.902 1.186 334 HA2 GLY 553 2HA GLY 553 -13.711 2.925 2.025 335 HA3 GLY 553 1HA GLY 553 -13.481 4.451 1.182 336 H LEU 554 H LEU 554 -11.447 3.425 -0.590 337 HA LEU 554 HA LEU 554 -13.181 2.179 -2.558 338 HB2 LEU 554 2HB LEU 554 -11.272 2.567 -4.081 339 HB3 LEU 554 1HB LEU 554 -11.839 4.026 -3.292 340 HG LEU 554 HG LEU 554 -9.836 3.182 -1.598 341 HD11 LEU 554 1HD1 LEU 554 -9.354 1.524 -3.557 342 HD12 LEU 554 2HD1 LEU 554 -8.031 2.356 -2.739 343 HD13 LEU 554 3HD1 LEU 554 -8.609 2.939 -4.300 344 HD21 LEU 554 3HD2 LEU 554 -9.764 5.116 -3.906 345 HD22 LEU 554 1HD2 LEU 554 -8.510 5.006 -2.670 346 HD23 LEU 554 2HD2 LEU 554 -10.153 5.463 -2.221 347 H ILE 555 H ILE 555 -11.501 0.967 -0.113 348 HA ILE 555 HA ILE 555 -10.984 -1.559 -1.468 349 HB ILE 555 HB ILE 555 -8.819 -1.796 -0.268 350 HG12 ILE 555 2HG1 ILE 555 -9.183 -0.077 1.460 351 HG13 ILE 555 1HG1 ILE 555 -7.688 0.186 0.587 352 HG21 ILE 555 1HG2 ILE 555 -9.310 -0.667 -2.678 353 HG22 ILE 555 2HG2 ILE 555 -7.708 -1.080 -2.067 354 HG23 ILE 555 3HG2 ILE 555 -8.315 0.571 -1.909 355 HD11 ILE 555 3HD1 ILE 555 -10.047 1.869 0.788 356 HD12 ILE 555 1HD1 ILE 555 -9.411 1.697 -0.846 357 HD13 ILE 555 2HD1 ILE 555 -8.370 2.288 0.445 358 H CYS 556 H CYS 556 -11.086 0.259 1.554 359 HA CYS 556 HA CYS 556 -11.832 -2.192 2.977 360 HB2 CYS 556 2HB CYS 556 -9.822 -0.736 3.685 361 HB3 CYS 556 1HB CYS 556 -11.026 0.405 4.269 362 H GLY 557 H GLY 557 -13.867 -1.210 1.484 363 HA2 GLY 557 2HA GLY 557 -16.070 -1.094 2.921 364 HA3 GLY 557 1HA GLY 557 -15.466 0.525 3.218 365 H LEU 558 H LEU 558 -15.342 -1.316 0.181 366 HA LEU 558 HA LEU 558 -16.991 0.808 -1.024 367 HB2 LEU 558 2HB LEU 558 -15.918 0.350 -3.134 368 HB3 LEU 558 1HB LEU 558 -14.700 0.664 -1.917 369 HG LEU 558 HG LEU 558 -15.447 -2.161 -2.574 370 HD11 LEU 558 1HD1 LEU 558 -14.097 -2.273 -4.434 371 HD12 LEU 558 2HD1 LEU 558 -13.234 -0.787 -4.030 372 HD13 LEU 558 3HD1 LEU 558 -14.882 -0.709 -4.653 373 HD21 LEU 558 3HD2 LEU 558 -13.329 -0.733 -1.132 374 HD22 LEU 558 1HD2 LEU 558 -12.768 -2.047 -2.166 375 HD23 LEU 558 2HD2 LEU 558 -13.959 -2.362 -0.906 376 H ARG 559 H ARG 559 -16.410 -2.661 -0.920 377 HA ARG 559 HA ARG 559 -19.067 -3.430 -1.025 378 HB2 ARG 559 2HB ARG 559 -19.320 -4.252 -3.318 379 HB3 ARG 559 1HB ARG 559 -19.060 -2.512 -3.317 380 HG2 ARG 559 2HG ARG 559 -16.592 -4.045 -3.498 381 HG3 ARG 559 1HG ARG 559 -17.700 -4.336 -4.842 382 HD2 ARG 559 2HD ARG 559 -16.836 -1.608 -3.896 383 HD3 ARG 559 1HD ARG 559 -16.088 -2.479 -5.234 384 HE ARG 559 HE ARG 559 -18.554 -1.039 -5.283 385 HH11 ARG 559 1HH1 ARG 559 -16.844 -3.735 -6.689 386 HH12 ARG 559 2HH1 ARG 559 -17.741 -3.693 -8.170 387 HH21 ARG 559 1HH2 ARG 559 -19.735 -0.981 -7.230 388 HH22 ARG 559 2HH2 ARG 559 -19.383 -2.129 -8.477 389 H GLN 560 H GLN 560 -16.636 -4.093 0.214 390 HA GLN 560 HA GLN 560 -16.229 -6.866 -0.651 391 HB2 GLN 560 2HB GLN 560 -14.070 -6.596 0.732 392 HB3 GLN 560 1HB GLN 560 -14.163 -5.825 -0.844 393 HG2 GLN 560 2HG GLN 560 -13.142 -4.406 0.904 394 HG3 GLN 560 1HG GLN 560 -14.556 -3.694 0.134 395 HE21 GLN 560 1HE2 GLN 560 -15.905 -2.747 1.447 396 HE22 GLN 560 2HE2 GLN 560 -16.161 -3.135 3.112 Start of MODEL 18 1 H1 ALA 507 1HT ALA 507 -12.343 -12.086 -4.865 2 H2 ALA 507 2HT ALA 507 -12.054 -10.663 -5.780 3 H3 ALA 507 3HT ALA 507 -12.161 -12.185 -6.566 4 HA ALA 507 HA ALA 507 -14.173 -11.307 -6.994 5 HB1 ALA 507 1HB ALA 507 -14.631 -12.685 -4.355 6 HB2 ALA 507 2HB ALA 507 -14.289 -13.527 -5.867 7 HB3 ALA 507 3HB ALA 507 -15.755 -12.558 -5.708 8 H GLN 508 H GLN 508 -13.623 -10.804 -3.506 9 HA GLN 508 HA GLN 508 -14.229 -8.036 -3.647 10 HB2 GLN 508 2HB GLN 508 -16.433 -9.894 -3.171 11 HB3 GLN 508 1HB GLN 508 -16.267 -8.699 -1.893 12 HG2 GLN 508 2HG GLN 508 -16.037 -7.155 -4.122 13 HG3 GLN 508 1HG GLN 508 -17.173 -8.394 -4.655 14 HE21 GLN 508 1HE2 GLN 508 -18.437 -8.889 -2.211 15 HE22 GLN 508 2HE2 GLN 508 -19.367 -7.497 -1.783 16 HA PRO 509 HA PRO 509 -11.973 -9.611 0.125 17 HB2 PRO 509 2HB PRO 509 -9.653 -8.141 -0.785 18 HB3 PRO 509 1HB PRO 509 -9.825 -9.877 -0.529 19 HG2 PRO 509 2HG PRO 509 -9.512 -8.733 -2.991 20 HG3 PRO 509 1HG PRO 509 -10.340 -10.277 -2.720 21 HD2 PRO 509 2HD PRO 509 -11.503 -7.551 -3.150 22 HD3 PRO 509 1HD PRO 509 -12.040 -9.119 -3.787 23 H LYS 510 H LYS 510 -12.441 -8.442 1.870 24 HA LYS 510 HA LYS 510 -12.829 -5.604 1.755 25 HB2 LYS 510 2HB LYS 510 -12.624 -7.192 4.301 26 HB3 LYS 510 1HB LYS 510 -13.588 -5.761 3.974 27 HG2 LYS 510 2HG LYS 510 -15.309 -7.134 3.695 28 HG3 LYS 510 1HG LYS 510 -14.555 -7.618 2.174 29 HD2 LYS 510 2HD LYS 510 -13.351 -9.406 3.362 30 HD3 LYS 510 1HD LYS 510 -14.152 -8.932 4.861 31 HE2 LYS 510 2HE LYS 510 -16.232 -9.668 4.128 32 HE3 LYS 510 1HE LYS 510 -15.755 -9.629 2.431 33 HZ1 LYS 510 3HZ LYS 510 -14.054 -11.437 3.384 34 HZ2 LYS 510 1HZ LYS 510 -15.570 -11.833 2.744 35 HZ3 LYS 510 2HZ LYS 510 -15.365 -11.708 4.418 36 H CYS 511 H CYS 511 -11.317 -4.092 1.975 37 HA CYS 511 HA CYS 511 -9.368 -3.035 2.483 38 HB2 CYS 511 2HB CYS 511 -10.161 -4.388 4.823 39 HB3 CYS 511 1HB CYS 511 -8.432 -4.676 4.666 40 H ASN 512 H ASN 512 -8.037 -3.446 0.803 41 HA ASN 512 HA ASN 512 -6.543 -5.958 0.794 42 HB2 ASN 512 2HB ASN 512 -6.734 -3.980 -1.472 43 HB3 ASN 512 1HB ASN 512 -6.110 -5.622 -1.535 44 HD21 ASN 512 1HD2 ASN 512 -9.056 -3.811 -0.746 45 HD22 ASN 512 2HD2 ASN 512 -10.150 -4.997 -1.359 46 HA PRO 513 HA PRO 513 -3.046 -2.815 0.720 47 HB2 PRO 513 2HB PRO 513 -3.646 -0.203 0.113 48 HB3 PRO 513 1HB PRO 513 -3.333 -1.461 -1.087 49 HG2 PRO 513 2HG PRO 513 -5.800 -0.098 -0.603 50 HG3 PRO 513 1HG PRO 513 -5.494 -1.410 -1.751 51 HD2 PRO 513 2HD PRO 513 -6.633 -1.529 0.993 52 HD3 PRO 513 1HD PRO 513 -6.941 -2.568 -0.413 53 H ASN 514 H ASN 514 -5.729 -2.166 2.658 54 HA ASN 514 HA ASN 514 -4.225 -0.288 4.342 55 HB2 ASN 514 2HB ASN 514 -7.123 -0.810 3.904 56 HB3 ASN 514 1HB ASN 514 -6.634 -0.348 5.531 57 HD21 ASN 514 1HD2 ASN 514 -7.173 0.692 2.314 58 HD22 ASN 514 2HD2 ASN 514 -6.808 2.362 2.548 59 H LEU 515 H LEU 515 -2.941 -2.355 4.689 60 HA LEU 515 HA LEU 515 -4.068 -3.729 7.020 61 HB2 LEU 515 2HB LEU 515 -2.317 -5.544 5.754 62 HB3 LEU 515 1HB LEU 515 -4.040 -5.687 6.019 63 HG LEU 515 HG LEU 515 -3.455 -6.125 3.712 64 HD11 LEU 515 1HD1 LEU 515 -4.792 -3.701 3.089 65 HD12 LEU 515 2HD1 LEU 515 -5.414 -4.319 4.616 66 HD13 LEU 515 3HD1 LEU 515 -5.436 -5.335 3.176 67 HD21 LEU 515 3HD2 LEU 515 -1.749 -5.012 2.831 68 HD22 LEU 515 1HD2 LEU 515 -1.861 -3.726 4.028 69 HD23 LEU 515 2HD2 LEU 515 -2.869 -3.675 2.585 70 H HIS 516 H HIS 516 -1.223 -2.285 5.569 71 HA HIS 516 HA HIS 516 0.089 -2.094 8.047 72 HB2 HIS 516 2HB HIS 516 2.011 -3.770 7.244 73 HB3 HIS 516 1HB HIS 516 0.645 -4.306 8.219 74 HD1 HIS 516 1HD HIS 516 0.860 -6.717 7.187 75 HD2 HIS 516 2HD HIS 516 0.019 -3.714 4.447 76 HE1 HIS 516 1HE HIS 516 0.137 -7.891 5.079 77 HE2 HIS 516 2HE HIS 516 -0.230 -6.063 3.410 78 H TYR 517 H TYR 517 1.775 -3.090 5.103 79 HA TYR 517 HA TYR 517 3.573 -0.969 5.145 80 HB2 TYR 517 2HB TYR 517 2.988 -2.312 2.564 81 HB3 TYR 517 1HB TYR 517 4.533 -1.848 3.258 82 HD1 TYR 517 1HD TYR 517 1.839 -4.354 3.352 83 HD2 TYR 517 2HD TYR 517 5.778 -3.365 4.612 84 HE1 TYR 517 1HE TYR 517 2.201 -6.689 4.036 85 HE2 TYR 517 2HE TYR 517 6.146 -5.693 5.321 86 HH TYR 517 HH TYR 517 4.887 -7.651 5.940 87 H TRP 518 H TRP 518 0.463 -0.498 4.627 88 HA TRP 518 HA TRP 518 0.951 1.718 2.781 89 HB2 TRP 518 2HB TRP 518 -1.704 0.444 2.604 90 HB3 TRP 518 1HB TRP 518 -0.715 1.122 1.342 91 HD1 TRP 518 HD TRP 518 0.342 -1.891 3.511 92 HE1 TRP 518 1HE TRP 518 0.661 -3.875 1.959 93 HE3 TRP 518 3HE TRP 518 -1.318 0.205 -0.844 94 HZ2 TRP 518 2HZ TRP 518 0.237 -4.529 -0.762 95 HZ3 TRP 518 3HZ TRP 518 -1.340 -1.177 -2.879 96 HH2 TRP 518 HH TRP 518 -0.578 -3.497 -2.837 97 H THR 519 H THR 519 -1.073 0.222 5.208 98 HA THR 519 HA THR 519 -2.562 2.632 5.747 99 HB THR 519 HB THR 519 -3.652 0.494 6.040 100 HG1 THR 519 1HG THR 519 -4.124 2.270 7.515 101 HG21 THR 519 3HG2 THR 519 -2.892 -1.262 7.183 102 HG22 THR 519 1HG2 THR 519 -2.251 -0.266 8.489 103 HG23 THR 519 2HG2 THR 519 -1.321 -0.482 7.007 104 H THR 520 H THR 520 0.491 1.488 6.703 105 HA THR 520 HA THR 520 0.399 2.970 9.224 106 HB THR 520 HB THR 520 1.630 0.574 8.525 107 HG1 THR 520 1HG THR 520 2.263 2.206 10.745 108 HG21 THR 520 3HG2 THR 520 3.725 2.715 8.764 109 HG22 THR 520 1HG2 THR 520 3.587 1.439 7.555 110 HG23 THR 520 2HG2 THR 520 4.020 1.037 9.215 111 H GLN 521 H GLN 521 2.711 2.695 6.506 112 HA GLN 521 HA GLN 521 3.513 5.454 7.050 113 HB2 GLN 521 2HB GLN 521 5.527 4.981 5.805 114 HB3 GLN 521 1HB GLN 521 5.274 3.716 6.997 115 HG2 GLN 521 2HG GLN 521 4.796 2.127 5.420 116 HG3 GLN 521 1HG GLN 521 4.267 3.309 4.231 117 HE21 GLN 521 1HE2 GLN 521 6.318 5.019 3.983 118 HE22 GLN 521 2HE2 GLN 521 7.746 4.201 3.463 119 H ASP 522 H ASP 522 4.604 6.055 4.567 120 HA ASP 522 HA ASP 522 2.163 6.539 3.018 121 HB2 ASP 522 2HB ASP 522 4.704 8.008 3.429 122 HB3 ASP 522 1HB ASP 522 3.880 8.209 1.888 123 H GLU 523 H GLU 523 3.601 4.051 2.862 124 HA GLU 523 HA GLU 523 4.631 2.617 1.386 125 HB2 GLU 523 2HB GLU 523 2.619 4.130 -0.250 126 HB3 GLU 523 1HB GLU 523 3.587 2.847 -0.961 127 HG2 GLU 523 2HG GLU 523 2.456 1.232 0.082 128 HG3 GLU 523 1HG GLU 523 2.311 2.163 1.570 129 H GLY 524 H GLY 524 6.678 3.605 1.665 130 HA2 GLY 524 2HA GLY 524 8.663 4.063 0.457 131 HA3 GLY 524 1HA GLY 524 7.682 4.749 -0.834 132 H ALA 525 H ALA 525 6.143 6.076 1.517 133 HA ALA 525 HA ALA 525 6.013 8.325 1.987 134 HB1 ALA 525 1HB ALA 525 8.279 8.303 3.731 135 HB2 ALA 525 2HB ALA 525 7.389 6.782 3.821 136 HB3 ALA 525 3HB ALA 525 6.557 8.308 4.128 137 H ALA 526 H ALA 526 7.714 8.000 -0.361 138 HA ALA 526 HA ALA 526 9.337 9.066 -1.525 139 HB1 ALA 526 1HB ALA 526 7.297 10.733 -1.055 140 HB2 ALA 526 2HB ALA 526 8.701 11.184 -2.023 141 HB3 ALA 526 3HB ALA 526 8.608 11.665 -0.329 142 H ILE 527 H ILE 527 9.942 8.363 1.397 143 HA ILE 527 HA ILE 527 11.716 10.222 2.482 144 HB ILE 527 HB ILE 527 12.827 8.060 3.416 145 HG12 ILE 527 2HG1 ILE 527 11.208 6.872 1.535 146 HG13 ILE 527 1HG1 ILE 527 11.958 6.047 2.895 147 HG21 ILE 527 1HG2 ILE 527 10.091 9.085 4.048 148 HG22 ILE 527 2HG2 ILE 527 11.613 9.403 4.880 149 HG23 ILE 527 3HG2 ILE 527 10.848 7.820 5.015 150 HD11 ILE 527 3HD1 ILE 527 9.179 7.098 2.650 151 HD12 ILE 527 1HD1 ILE 527 9.861 6.570 4.186 152 HD13 ILE 527 2HD1 ILE 527 9.694 5.428 2.852 153 H GLY 528 H GLY 528 12.119 7.752 0.042 154 HA2 GLY 528 2HA GLY 528 14.255 8.987 -1.253 155 HA3 GLY 528 1HA GLY 528 14.957 7.862 -0.102 156 H LEU 529 H LEU 529 12.957 5.837 -0.318 157 HA LEU 529 HA LEU 529 12.390 4.027 -1.535 158 HB2 LEU 529 2HB LEU 529 11.998 6.158 -3.266 159 HB3 LEU 529 1HB LEU 529 12.938 5.008 -4.199 160 HG LEU 529 HG LEU 529 10.182 4.725 -3.081 161 HD11 LEU 529 1HD1 LEU 529 9.905 5.195 -5.266 162 HD12 LEU 529 2HD1 LEU 529 10.240 3.475 -5.468 163 HD13 LEU 529 3HD1 LEU 529 11.528 4.657 -5.696 164 HD21 LEU 529 3HD2 LEU 529 11.122 2.790 -2.168 165 HD22 LEU 529 1HD2 LEU 529 12.152 2.519 -3.574 166 HD23 LEU 529 2HD2 LEU 529 10.409 2.260 -3.695 167 H ALA 530 H ALA 530 15.222 5.628 -2.895 168 HA ALA 530 HA ALA 530 16.308 3.170 -3.836 169 HB1 ALA 530 1HB ALA 530 17.142 5.998 -3.859 170 HB2 ALA 530 2HB ALA 530 17.147 4.801 -5.154 171 HB3 ALA 530 3HB ALA 530 18.434 4.800 -3.947 172 H TRP 531 H TRP 531 16.399 4.806 -0.840 173 HA TRP 531 HA TRP 531 18.778 4.249 0.330 174 HB2 TRP 531 2HB TRP 531 17.444 3.885 2.475 175 HB3 TRP 531 1HB TRP 531 17.140 5.390 1.617 176 HD1 TRP 531 HD TRP 531 14.974 4.936 -0.298 177 HE1 TRP 531 1HE TRP 531 12.666 4.065 0.318 178 HE3 TRP 531 3HE TRP 531 16.139 2.677 4.127 179 HZ2 TRP 531 2HZ TRP 531 11.452 2.603 2.424 180 HZ3 TRP 531 3HZ TRP 531 14.342 1.566 5.388 181 HH2 TRP 531 HH TRP 531 12.047 1.530 4.553 182 H ILE 532 H ILE 532 16.301 1.967 -0.557 183 HA ILE 532 HA ILE 532 17.786 -0.220 0.708 184 HB ILE 532 HB ILE 532 15.767 -1.543 0.340 185 HG12 ILE 532 2HG1 ILE 532 15.138 0.635 -1.445 186 HG13 ILE 532 1HG1 ILE 532 14.390 -0.947 -1.317 187 HG21 ILE 532 1HG2 ILE 532 14.290 -0.285 1.903 188 HG22 ILE 532 2HG2 ILE 532 15.363 1.103 1.708 189 HG23 ILE 532 3HG2 ILE 532 15.972 -0.391 2.426 190 HD11 ILE 532 3HD1 ILE 532 12.856 1.011 -1.050 191 HD12 ILE 532 1HD1 ILE 532 13.675 1.361 0.470 192 HD13 ILE 532 2HD1 ILE 532 12.808 -0.162 0.265 193 HA PRO 533 HA PRO 533 19.255 -1.816 -3.129 194 HB2 PRO 533 2HB PRO 533 18.872 -4.506 -2.826 195 HB3 PRO 533 1HB PRO 533 20.175 -3.607 -2.041 196 HG2 PRO 533 2HG PRO 533 17.536 -4.474 -0.930 197 HG3 PRO 533 1HG PRO 533 19.139 -4.520 -0.173 198 HD2 PRO 533 2HD PRO 533 17.348 -2.597 0.406 199 HD3 PRO 533 1HD PRO 533 19.092 -2.270 0.359 200 H TYR 534 H TYR 534 16.188 -3.332 -2.107 201 HA TYR 534 HA TYR 534 14.967 -2.670 -4.621 202 HB2 TYR 534 2HB TYR 534 14.488 -4.966 -5.334 203 HB3 TYR 534 1HB TYR 534 16.218 -4.645 -5.296 204 HD1 TYR 534 2HD TYR 534 13.451 -6.382 -3.584 205 HD2 TYR 534 1HD TYR 534 17.666 -5.852 -3.827 206 HE1 TYR 534 2HE TYR 534 13.775 -8.351 -2.146 207 HE2 TYR 534 1HE TYR 534 18.001 -7.819 -2.390 208 HH TYR 534 HH TYR 534 16.825 -9.829 -1.713 209 H PHE 535 H PHE 535 14.616 -3.002 -1.408 210 HA PHE 535 HA PHE 535 12.191 -4.407 -1.116 211 HB2 PHE 535 2HB PHE 535 12.900 -2.077 0.639 212 HB3 PHE 535 1HB PHE 535 12.101 -3.580 1.069 213 HD1 PHE 535 1HD PHE 535 14.241 -5.300 -0.473 214 HD2 PHE 535 2HD PHE 535 14.446 -2.227 2.466 215 HE1 PHE 535 1HE PHE 535 16.390 -6.201 0.319 216 HE2 PHE 535 2HE PHE 535 16.594 -3.121 3.259 217 HZ PHE 535 HZ PHE 535 17.569 -5.109 2.186 218 H GLY 536 H GLY 536 12.917 -1.175 -2.162 219 HA2 GLY 536 2HA GLY 536 10.045 -0.528 -2.191 220 HA3 GLY 536 1HA GLY 536 11.335 0.659 -2.159 221 HA PRO 537 HA PRO 537 11.758 1.059 -6.539 222 HB2 PRO 537 2HB PRO 537 14.063 -0.838 -6.659 223 HB3 PRO 537 1HB PRO 537 13.911 0.792 -7.330 224 HG2 PRO 537 2HG PRO 537 15.332 0.378 -5.124 225 HG3 PRO 537 1HG PRO 537 14.302 1.814 -5.278 226 HD2 PRO 537 2HD PRO 537 13.856 -0.682 -3.709 227 HD3 PRO 537 1HD PRO 537 13.410 0.990 -3.318 228 H ALA 538 H ALA 538 12.500 -2.310 -5.652 229 HA ALA 538 HA ALA 538 11.255 -3.350 -8.032 230 HB1 ALA 538 1HB ALA 538 13.220 -4.380 -6.768 231 HB2 ALA 538 2HB ALA 538 11.943 -5.471 -7.305 232 HB3 ALA 538 3HB ALA 538 12.018 -4.965 -5.618 233 H ALA 539 H ALA 539 10.314 -2.639 -4.777 234 HA ALA 539 HA ALA 539 8.108 -4.331 -4.472 235 HB1 ALA 539 1HB ALA 539 8.531 -3.349 -2.490 236 HB2 ALA 539 2HB ALA 539 7.339 -2.179 -3.056 237 HB3 ALA 539 3HB ALA 539 9.060 -1.838 -3.228 238 H GLU 540 H GLU 540 5.980 -4.167 -4.988 239 HA GLU 540 HA GLU 540 5.138 -1.889 -6.648 240 HB2 GLU 540 2HB GLU 540 4.366 -4.761 -7.177 241 HB3 GLU 540 1HB GLU 540 3.978 -3.358 -8.165 242 HG2 GLU 540 2HG GLU 540 6.656 -3.182 -8.144 243 HG3 GLU 540 1HG GLU 540 6.460 -4.928 -7.989 244 H GLY 541 H GLY 541 4.401 -4.269 -4.256 245 HA2 GLY 541 2HA GLY 541 1.736 -3.060 -3.871 246 HA3 GLY 541 1HA GLY 541 2.091 -4.749 -3.524 247 H ILE 542 H ILE 542 4.118 -1.976 -2.822 248 HA ILE 542 HA ILE 542 3.493 -2.061 0.018 249 HB ILE 542 HB ILE 542 6.388 -2.233 -0.709 250 HG12 ILE 542 2HG1 ILE 542 6.142 -4.753 -0.175 251 HG13 ILE 542 1HG1 ILE 542 4.453 -4.528 -0.626 252 HG21 ILE 542 1HG2 ILE 542 5.517 -1.648 1.585 253 HG22 ILE 542 2HG2 ILE 542 6.666 -2.985 1.514 254 HG23 ILE 542 3HG2 ILE 542 4.943 -3.312 1.697 255 HD11 ILE 542 3HD1 ILE 542 5.169 -5.001 -2.689 256 HD12 ILE 542 1HD1 ILE 542 6.849 -4.648 -2.293 257 HD13 ILE 542 2HD1 ILE 542 5.748 -3.330 -2.705 258 H TYR 543 H TYR 543 5.260 -0.719 -2.690 259 HA TYR 543 HA TYR 543 5.643 1.778 -1.263 260 HB2 TYR 543 2HB TYR 543 7.545 1.995 -2.446 261 HB3 TYR 543 1HB TYR 543 7.361 0.276 -2.721 262 HD1 TYR 543 1HD TYR 543 5.752 -0.266 -4.803 263 HD2 TYR 543 2HD TYR 543 8.033 3.287 -4.285 264 HE1 TYR 543 1HE TYR 543 5.703 0.113 -7.228 265 HE2 TYR 543 2HE TYR 543 7.997 3.677 -6.708 266 HH TYR 543 HH TYR 543 6.908 1.294 -8.938 267 H ILE 544 H ILE 544 4.017 0.326 -3.968 268 HA ILE 544 HA ILE 544 2.745 1.159 -5.693 269 HB ILE 544 HB ILE 544 1.379 2.612 -3.443 270 HG12 ILE 544 2HG1 ILE 544 0.098 0.428 -3.192 271 HG13 ILE 544 1HG1 ILE 544 1.401 -0.330 -4.101 272 HG21 ILE 544 1HG2 ILE 544 0.254 3.132 -5.387 273 HG22 ILE 544 2HG2 ILE 544 -0.622 1.705 -4.835 274 HG23 ILE 544 3HG2 ILE 544 0.578 1.562 -6.119 275 HD11 ILE 544 3HD1 ILE 544 1.272 0.032 -1.367 276 HD12 ILE 544 1HD1 ILE 544 2.409 1.264 -1.915 277 HD13 ILE 544 2HD1 ILE 544 2.689 -0.431 -2.306 278 H GLU 545 H GLU 545 2.647 3.934 -3.511 279 HA GLU 545 HA GLU 545 3.104 6.141 -3.795 280 HB2 GLU 545 2HB GLU 545 4.587 5.361 -6.301 281 HB3 GLU 545 1HB GLU 545 4.803 6.819 -5.336 282 HG2 GLU 545 2HG GLU 545 5.422 5.262 -3.429 283 HG3 GLU 545 1HG GLU 545 5.552 4.002 -4.655 284 H GLY 546 H GLY 546 0.942 6.567 -4.130 285 HA2 GLY 546 2HA GLY 546 0.146 8.145 -6.158 286 HA3 GLY 546 1HA GLY 546 -0.174 6.540 -6.798 287 H LEU 547 H LEU 547 -0.685 5.696 -3.889 288 HA LEU 547 HA LEU 547 -3.369 6.897 -3.628 289 HB2 LEU 547 2HB LEU 547 -4.402 4.843 -3.329 290 HB3 LEU 547 1HB LEU 547 -3.269 4.539 -4.630 291 HG LEU 547 HG LEU 547 -2.883 3.766 -1.736 292 HD11 LEU 547 1HD1 LEU 547 -3.216 1.953 -4.107 293 HD12 LEU 547 2HD1 LEU 547 -4.576 2.482 -3.117 294 HD13 LEU 547 3HD1 LEU 547 -3.273 1.540 -2.393 295 HD21 LEU 547 3HD2 LEU 547 -0.716 4.006 -2.372 296 HD22 LEU 547 1HD2 LEU 547 -1.078 3.786 -4.084 297 HD23 LEU 547 2HD2 LEU 547 -1.006 2.388 -3.011 298 H MET 548 H MET 548 -0.483 5.920 -2.117 299 HA MET 548 HA MET 548 -1.277 5.479 0.508 300 HB2 MET 548 2HB MET 548 1.121 6.542 0.981 301 HB3 MET 548 1HB MET 548 0.922 4.931 0.330 302 HG2 MET 548 2HG MET 548 2.643 5.930 -0.903 303 HG3 MET 548 1HG MET 548 1.252 5.946 -1.966 304 HE1 MET 548 3HE MET 548 0.336 9.463 -2.526 305 HE2 MET 548 1HE MET 548 -0.044 7.745 -2.636 306 HE3 MET 548 2HE MET 548 1.300 8.411 -3.561 307 H HIS 549 H HIS 549 -2.645 6.810 1.521 308 HA HIS 549 HA HIS 549 -1.755 9.179 2.657 309 HB2 HIS 549 2HB HIS 549 -3.646 10.597 1.346 310 HB3 HIS 549 1HB HIS 549 -1.943 10.601 0.911 311 HD1 HIS 549 1HD HIS 549 -5.281 9.383 -0.243 312 HD2 HIS 549 2HD HIS 549 -1.322 9.331 -1.500 313 HE1 HIS 549 1HE HIS 549 -5.348 8.663 -2.651 314 HE2 HIS 549 2HE HIS 549 -2.958 8.796 -3.428 315 H ASN 550 H ASN 550 -4.885 8.173 1.258 316 HA ASN 550 HA ASN 550 -6.003 7.151 3.573 317 HB2 ASN 550 2HB ASN 550 -5.691 9.909 3.847 318 HB3 ASN 550 1HB ASN 550 -7.389 9.702 3.430 319 HD21 ASN 550 1HD2 ASN 550 -8.726 8.509 4.805 320 HD22 ASN 550 2HD2 ASN 550 -8.294 8.200 6.448 321 H GLN 551 H GLN 551 -7.309 5.809 2.516 322 HA GLN 551 HA GLN 551 -9.254 6.970 0.652 323 HB2 GLN 551 2HB GLN 551 -8.252 4.199 0.179 324 HB3 GLN 551 1HB GLN 551 -8.943 5.344 -0.959 325 HG2 GLN 551 2HG GLN 551 -6.893 5.795 -1.640 326 HG3 GLN 551 1HG GLN 551 -6.591 6.544 -0.075 327 HE21 GLN 551 1HE2 GLN 551 -6.757 4.068 1.423 328 HE22 GLN 551 2HE2 GLN 551 -5.313 3.187 1.064 329 H ASP 552 H ASP 552 -8.647 3.748 1.923 330 HA ASP 552 HA ASP 552 -10.061 2.189 2.807 331 HB2 ASP 552 2HB ASP 552 -9.984 4.529 4.503 332 HB3 ASP 552 1HB ASP 552 -11.539 3.717 4.660 333 H GLY 553 H GLY 553 -11.067 3.656 0.491 334 HA2 GLY 553 2HA GLY 553 -13.946 3.170 0.913 335 HA3 GLY 553 1HA GLY 553 -13.382 4.570 0.003 336 H LEU 554 H LEU 554 -11.200 3.229 -1.246 337 HA LEU 554 HA LEU 554 -12.644 1.867 -3.366 338 HB2 LEU 554 2HB LEU 554 -10.493 2.033 -4.575 339 HB3 LEU 554 1HB LEU 554 -11.104 3.585 -4.038 340 HG LEU 554 HG LEU 554 -9.431 2.799 -1.957 341 HD11 LEU 554 1HD1 LEU 554 -8.680 1.005 -3.651 342 HD12 LEU 554 2HD1 LEU 554 -7.449 1.955 -2.818 343 HD13 LEU 554 3HD1 LEU 554 -7.885 2.342 -4.481 344 HD21 LEU 554 3HD2 LEU 554 -9.651 5.052 -2.831 345 HD22 LEU 554 1HD2 LEU 554 -8.857 4.573 -4.332 346 HD23 LEU 554 2HD2 LEU 554 -7.955 4.568 -2.816 347 H ILE 555 H ILE 555 -11.141 0.978 -0.544 348 HA ILE 555 HA ILE 555 -10.733 -1.746 -1.514 349 HB ILE 555 HB ILE 555 -8.669 -1.972 -0.219 350 HG12 ILE 555 2HG1 ILE 555 -9.088 -0.170 1.424 351 HG13 ILE 555 1HG1 ILE 555 -7.514 -0.030 0.668 352 HG21 ILE 555 1HG2 ILE 555 -8.968 -0.712 -2.671 353 HG22 ILE 555 2HG2 ILE 555 -7.504 -1.460 -2.032 354 HG23 ILE 555 3HG2 ILE 555 -7.788 0.269 -1.801 355 HD11 ILE 555 3HD1 ILE 555 -9.059 1.503 -0.956 356 HD12 ILE 555 1HD1 ILE 555 -8.036 2.094 0.350 357 HD13 ILE 555 2HD1 ILE 555 -9.754 1.808 0.634 358 H CYS 556 H CYS 556 -10.942 0.431 1.262 359 HA CYS 556 HA CYS 556 -12.049 -1.781 2.837 360 HB2 CYS 556 2HB CYS 556 -9.844 -0.293 3.421 361 HB3 CYS 556 1HB CYS 556 -11.091 0.613 4.270 362 H GLY 557 H GLY 557 -13.958 -0.830 1.373 363 HA2 GLY 557 2HA GLY 557 -15.236 1.417 2.760 364 HA3 GLY 557 1HA GLY 557 -15.726 0.753 1.211 365 H LEU 558 H LEU 558 -16.179 -1.813 1.584 366 HA LEU 558 HA LEU 558 -17.740 -2.202 4.002 367 HB2 LEU 558 2HB LEU 558 -19.780 -2.731 2.862 368 HB3 LEU 558 1HB LEU 558 -19.268 -1.123 2.391 369 HG LEU 558 HG LEU 558 -18.727 -3.545 0.686 370 HD11 LEU 558 1HD1 LEU 558 -21.069 -1.661 0.500 371 HD12 LEU 558 2HD1 LEU 558 -21.144 -3.332 1.059 372 HD13 LEU 558 3HD1 LEU 558 -20.690 -2.979 -0.609 373 HD21 LEU 558 3HD2 LEU 558 -19.082 -1.133 -0.761 374 HD22 LEU 558 1HD2 LEU 558 -17.621 -2.104 -0.583 375 HD23 LEU 558 2HD2 LEU 558 -17.964 -0.810 0.563 376 H ARG 559 H ARG 559 -16.762 -3.555 0.861 377 HA ARG 559 HA ARG 559 -15.523 -5.805 1.913 378 HB2 ARG 559 2HB ARG 559 -17.116 -7.587 1.477 379 HB3 ARG 559 1HB ARG 559 -17.805 -6.447 2.625 380 HG2 ARG 559 2HG ARG 559 -18.431 -5.751 -0.115 381 HG3 ARG 559 1HG ARG 559 -18.992 -7.372 0.311 382 HD2 ARG 559 2HD ARG 559 -19.564 -4.862 1.884 383 HD3 ARG 559 1HD ARG 559 -20.680 -5.623 0.751 384 HE ARG 559 HE ARG 559 -20.026 -7.596 2.533 385 HH11 ARG 559 1HH1 ARG 559 -21.407 -4.399 2.765 386 HH12 ARG 559 2HH1 ARG 559 -22.340 -4.769 4.176 387 HH21 ARG 559 1HH2 ARG 559 -21.254 -8.083 4.389 388 HH22 ARG 559 2HH2 ARG 559 -22.254 -6.860 5.098 389 H GLN 560 H GLN 560 -15.142 -3.942 -0.145 390 HA GLN 560 HA GLN 560 -15.301 -5.603 -2.563 391 HB2 GLN 560 2HB GLN 560 -15.204 -3.642 -3.870 392 HB3 GLN 560 1HB GLN 560 -16.326 -3.285 -2.567 393 HG2 GLN 560 2HG GLN 560 -13.685 -2.523 -1.780 394 HG3 GLN 560 1HG GLN 560 -14.056 -1.830 -3.358 395 HE21 GLN 560 1HE2 GLN 560 -15.008 -2.011 -0.010 396 HE22 GLN 560 2HE2 GLN 560 -15.997 -0.596 -0.009 Start of MODEL 19 1 H1 ALA 507 1HT ALA 507 -15.610 -12.366 -5.143 2 H2 ALA 507 2HT ALA 507 -16.733 -13.366 -4.317 3 H3 ALA 507 3HT ALA 507 -15.301 -14.043 -4.975 4 HA ALA 507 HA ALA 507 -15.272 -13.736 -2.567 5 HB1 ALA 507 1HB ALA 507 -13.306 -13.120 -4.525 6 HB2 ALA 507 2HB ALA 507 -13.080 -13.772 -2.902 7 HB3 ALA 507 3HB ALA 507 -13.089 -12.027 -3.159 8 H GLN 508 H GLN 508 -13.913 -11.656 -1.379 9 HA GLN 508 HA GLN 508 -15.159 -9.134 -1.774 10 HB2 GLN 508 2HB GLN 508 -16.365 -11.038 0.156 11 HB3 GLN 508 1HB GLN 508 -16.179 -9.377 0.703 12 HG2 GLN 508 2HG GLN 508 -17.260 -9.091 -1.810 13 HG3 GLN 508 1HG GLN 508 -18.069 -10.525 -1.179 14 HE21 GLN 508 1HE2 GLN 508 -18.499 -7.389 -1.543 15 HE22 GLN 508 2HE2 GLN 508 -19.421 -7.008 -0.132 16 HA PRO 509 HA PRO 509 -11.157 -9.455 0.710 17 HB2 PRO 509 2HB PRO 509 -10.278 -7.519 -1.341 18 HB3 PRO 509 1HB PRO 509 -9.468 -8.971 -0.746 19 HG2 PRO 509 2HG PRO 509 -10.566 -8.893 -3.185 20 HG3 PRO 509 1HG PRO 509 -10.614 -10.363 -2.193 21 HD2 PRO 509 2HD PRO 509 -12.765 -8.341 -2.693 22 HD3 PRO 509 1HD PRO 509 -12.879 -10.110 -2.609 23 H LYS 510 H LYS 510 -12.084 -8.328 2.423 24 HA LYS 510 HA LYS 510 -12.733 -5.527 2.172 25 HB2 LYS 510 2HB LYS 510 -12.535 -7.190 4.688 26 HB3 LYS 510 1HB LYS 510 -13.352 -5.644 4.507 27 HG2 LYS 510 2HG LYS 510 -15.160 -6.557 3.472 28 HG3 LYS 510 1HG LYS 510 -14.228 -7.879 2.766 29 HD2 LYS 510 2HD LYS 510 -14.235 -8.016 5.656 30 HD3 LYS 510 1HD LYS 510 -15.877 -7.999 5.009 31 HE2 LYS 510 2HE LYS 510 -15.371 -10.256 5.015 32 HE3 LYS 510 1HE LYS 510 -14.980 -9.786 3.362 33 HZ1 LYS 510 3HZ LYS 510 -13.193 -11.087 4.116 34 HZ2 LYS 510 1HZ LYS 510 -13.108 -10.281 5.602 35 HZ3 LYS 510 2HZ LYS 510 -12.634 -9.492 4.184 36 H CYS 511 H CYS 511 -11.226 -4.004 2.168 37 HA CYS 511 HA CYS 511 -9.373 -2.789 2.686 38 HB2 CYS 511 2HB CYS 511 -9.929 -4.318 5.126 39 HB3 CYS 511 1HB CYS 511 -8.240 -3.848 4.963 40 H ASN 512 H ASN 512 -8.229 -3.526 0.880 41 HA ASN 512 HA ASN 512 -6.552 -5.871 1.146 42 HB2 ASN 512 2HB ASN 512 -6.721 -3.966 -1.191 43 HB3 ASN 512 1HB ASN 512 -5.983 -5.561 -1.180 44 HD21 ASN 512 1HD2 ASN 512 -9.047 -3.860 -0.815 45 HD22 ASN 512 2HD2 ASN 512 -10.041 -5.162 -1.353 46 HA PRO 513 HA PRO 513 -3.178 -2.569 1.208 47 HB2 PRO 513 2HB PRO 513 -3.811 -0.045 0.408 48 HB3 PRO 513 1HB PRO 513 -3.472 -1.362 -0.719 49 HG2 PRO 513 2HG PRO 513 -5.980 -0.010 -0.277 50 HG3 PRO 513 1HG PRO 513 -5.617 -1.293 -1.441 51 HD2 PRO 513 2HD PRO 513 -6.832 -1.481 1.255 52 HD3 PRO 513 1HD PRO 513 -7.025 -2.543 -0.154 53 H ASN 514 H ASN 514 -5.693 -2.480 3.122 54 HA ASN 514 HA ASN 514 -4.670 -0.294 4.805 55 HB2 ASN 514 2HB ASN 514 -7.444 -1.022 4.033 56 HB3 ASN 514 1HB ASN 514 -7.198 -0.570 5.717 57 HD21 ASN 514 1HD2 ASN 514 -7.295 0.520 2.441 58 HD22 ASN 514 2HD2 ASN 514 -7.127 2.205 2.780 59 H LEU 515 H LEU 515 -3.358 -2.449 5.147 60 HA LEU 515 HA LEU 515 -4.629 -3.968 7.320 61 HB2 LEU 515 2HB LEU 515 -2.164 -5.030 6.108 62 HB3 LEU 515 1HB LEU 515 -3.618 -5.862 6.611 63 HG LEU 515 HG LEU 515 -3.451 -6.182 4.284 64 HD11 LEU 515 1HD1 LEU 515 -5.321 -4.255 3.605 65 HD12 LEU 515 2HD1 LEU 515 -5.557 -4.504 5.335 66 HD13 LEU 515 3HD1 LEU 515 -5.644 -5.872 4.227 67 HD21 LEU 515 3HD2 LEU 515 -3.492 -3.426 3.364 68 HD22 LEU 515 1HD2 LEU 515 -2.477 -4.776 2.852 69 HD23 LEU 515 2HD2 LEU 515 -2.028 -3.819 4.264 70 H HIS 516 H HIS 516 -1.446 -2.730 6.276 71 HA HIS 516 HA HIS 516 -0.854 -1.534 8.751 72 HB2 HIS 516 2HB HIS 516 0.405 -3.061 9.911 73 HB3 HIS 516 1HB HIS 516 -0.726 -4.162 9.126 74 HD1 HIS 516 1HD HIS 516 0.206 -5.733 7.343 75 HD2 HIS 516 2HD HIS 516 2.981 -3.030 8.815 76 HE1 HIS 516 1HE HIS 516 2.393 -6.409 6.319 77 HE2 HIS 516 2HE HIS 516 4.070 -4.748 7.206 78 H TYR 517 H TYR 517 0.870 -3.362 6.211 79 HA TYR 517 HA TYR 517 3.164 -1.832 6.079 80 HB2 TYR 517 2HB TYR 517 2.538 -2.583 3.399 81 HB3 TYR 517 1HB TYR 517 3.751 -3.249 4.469 82 HD1 TYR 517 1HD TYR 517 -0.003 -3.598 4.691 83 HD2 TYR 517 2HD TYR 517 3.748 -5.484 3.967 84 HE1 TYR 517 1HE TYR 517 -1.122 -5.775 4.581 85 HE2 TYR 517 2HE TYR 517 2.628 -7.669 3.863 86 HH TYR 517 HH TYR 517 -0.296 -8.211 3.274 87 H TRP 518 H TRP 518 0.041 -0.876 5.164 88 HA TRP 518 HA TRP 518 1.159 1.356 3.612 89 HB2 TRP 518 2HB TRP 518 -1.664 0.478 3.212 90 HB3 TRP 518 1HB TRP 518 -0.559 1.199 2.071 91 HD1 TRP 518 HD TRP 518 0.333 -2.045 3.899 92 HE1 TRP 518 1HE TRP 518 0.485 -3.911 2.211 93 HE3 TRP 518 3HE TRP 518 -1.393 0.455 -0.206 94 HZ2 TRP 518 2HZ TRP 518 -0.072 -4.340 -0.522 95 HZ3 TRP 518 3HZ TRP 518 -1.555 -0.774 -2.332 96 HH2 TRP 518 HH TRP 518 -0.905 -3.122 -2.488 97 H THR 519 H THR 519 -1.497 0.280 5.641 98 HA THR 519 HA THR 519 -2.605 2.806 6.189 99 HB THR 519 HB THR 519 -3.849 0.764 6.580 100 HG1 THR 519 1HG THR 519 -3.315 2.037 9.057 101 HG21 THR 519 3HG2 THR 519 -2.254 0.115 9.005 102 HG22 THR 519 1HG2 THR 519 -1.692 -0.442 7.430 103 HG23 THR 519 2HG2 THR 519 -3.286 -0.919 8.018 104 H THR 520 H THR 520 0.127 1.150 7.530 105 HA THR 520 HA THR 520 0.225 2.777 9.906 106 HB THR 520 HB THR 520 1.163 0.320 9.428 107 HG1 THR 520 1HG THR 520 1.068 1.227 11.463 108 HG21 THR 520 3HG2 THR 520 3.634 0.361 9.463 109 HG22 THR 520 1HG2 THR 520 3.581 2.069 9.025 110 HG23 THR 520 2HG2 THR 520 2.944 0.854 7.917 111 H GLN 521 H GLN 521 2.368 2.436 7.076 112 HA GLN 521 HA GLN 521 3.486 5.051 7.733 113 HB2 GLN 521 2HB GLN 521 5.399 4.464 6.497 114 HB3 GLN 521 1HB GLN 521 4.961 3.018 7.395 115 HG2 GLN 521 2HG GLN 521 4.252 1.901 5.500 116 HG3 GLN 521 1HG GLN 521 4.042 3.387 4.583 117 HE21 GLN 521 1HE2 GLN 521 6.104 4.646 4.199 118 HE22 GLN 521 2HE2 GLN 521 7.509 3.721 3.803 119 H ASP 522 H ASP 522 4.478 5.660 5.187 120 HA ASP 522 HA ASP 522 2.003 6.532 3.894 121 HB2 ASP 522 2HB ASP 522 4.686 7.689 4.238 122 HB3 ASP 522 1HB ASP 522 3.896 8.015 2.701 123 H GLU 523 H GLU 523 3.019 3.915 3.471 124 HA GLU 523 HA GLU 523 3.684 2.438 1.841 125 HB2 GLU 523 2HB GLU 523 1.828 4.380 0.554 126 HB3 GLU 523 1HB GLU 523 2.635 3.195 -0.466 127 HG2 GLU 523 2HG GLU 523 1.725 1.398 0.823 128 HG3 GLU 523 1HG GLU 523 1.021 2.533 1.972 129 H GLY 524 H GLY 524 5.895 3.098 2.125 130 HA2 GLY 524 2HA GLY 524 7.888 3.289 0.862 131 HA3 GLY 524 1HA GLY 524 6.990 4.186 -0.359 132 H ALA 525 H ALA 525 5.688 5.761 1.855 133 HA ALA 525 HA ALA 525 5.976 7.807 2.763 134 HB1 ALA 525 1HB ALA 525 7.232 7.700 4.595 135 HB2 ALA 525 2HB ALA 525 8.708 7.463 3.655 136 HB3 ALA 525 3HB ALA 525 7.677 6.085 4.042 137 H ALA 526 H ALA 526 7.365 7.151 0.001 138 HA ALA 526 HA ALA 526 8.671 8.237 -1.508 139 HB1 ALA 526 1HB ALA 526 7.862 10.297 -2.018 140 HB2 ALA 526 2HB ALA 526 7.960 10.867 -0.351 141 HB3 ALA 526 3HB ALA 526 6.632 9.819 -0.850 142 H ILE 527 H ILE 527 9.704 7.785 1.357 143 HA ILE 527 HA ILE 527 11.470 9.785 2.097 144 HB ILE 527 HB ILE 527 12.874 7.679 2.907 145 HG12 ILE 527 2HG1 ILE 527 11.546 5.728 3.310 146 HG13 ILE 527 1HG1 ILE 527 10.103 6.510 2.681 147 HG21 ILE 527 1HG2 ILE 527 10.277 8.656 4.054 148 HG22 ILE 527 2HG2 ILE 527 11.901 9.248 4.406 149 HG23 ILE 527 3HG2 ILE 527 11.419 7.634 4.929 150 HD11 ILE 527 3HD1 ILE 527 11.411 4.788 1.240 151 HD12 ILE 527 1HD1 ILE 527 12.470 6.159 0.912 152 HD13 ILE 527 2HD1 ILE 527 10.759 6.248 0.496 153 H GLY 528 H GLY 528 11.649 7.614 -0.577 154 HA2 GLY 528 2HA GLY 528 13.506 8.860 -2.061 155 HA3 GLY 528 1HA GLY 528 14.513 7.966 -0.934 156 H LEU 529 H LEU 529 13.214 5.600 -0.706 157 HA LEU 529 HA LEU 529 12.781 3.586 -1.675 158 HB2 LEU 529 2HB LEU 529 12.357 5.301 -4.102 159 HB3 LEU 529 1HB LEU 529 12.272 3.556 -4.175 160 HG LEU 529 HG LEU 529 10.347 3.489 -2.791 161 HD11 LEU 529 1HD1 LEU 529 9.389 5.578 -1.811 162 HD12 LEU 529 2HD1 LEU 529 10.889 6.400 -2.240 163 HD13 LEU 529 3HD1 LEU 529 10.914 5.063 -1.090 164 HD21 LEU 529 3HD2 LEU 529 9.008 5.513 -4.001 165 HD22 LEU 529 1HD2 LEU 529 9.360 3.956 -4.750 166 HD23 LEU 529 2HD2 LEU 529 10.404 5.342 -5.064 167 H ALA 530 H ALA 530 14.872 5.618 -3.643 168 HA ALA 530 HA ALA 530 16.411 3.380 -4.523 169 HB1 ALA 530 1HB ALA 530 15.991 5.538 -5.812 170 HB2 ALA 530 2HB ALA 530 17.616 4.857 -5.860 171 HB3 ALA 530 3HB ALA 530 17.267 6.231 -4.813 172 H TRP 531 H TRP 531 16.429 3.362 -1.798 173 HA TRP 531 HA TRP 531 19.220 4.049 -1.155 174 HB2 TRP 531 2HB TRP 531 18.387 4.134 1.258 175 HB3 TRP 531 1HB TRP 531 17.858 5.451 0.215 176 HD1 TRP 531 HD TRP 531 15.351 4.975 -0.950 177 HE1 TRP 531 1HE TRP 531 13.258 4.078 0.197 178 HE3 TRP 531 3HE TRP 531 17.538 2.807 3.119 179 HZ2 TRP 531 2HZ TRP 531 12.589 2.642 2.554 180 HZ3 TRP 531 3HZ TRP 531 16.103 1.697 4.781 181 HH2 TRP 531 HH TRP 531 13.678 1.619 4.503 182 H ILE 532 H ILE 532 16.860 1.658 -1.530 183 HA ILE 532 HA ILE 532 18.477 -0.321 -0.063 184 HB ILE 532 HB ILE 532 16.359 -1.689 -0.142 185 HG12 ILE 532 2HG1 ILE 532 15.461 0.274 -1.804 186 HG13 ILE 532 1HG1 ILE 532 14.449 -0.909 -0.991 187 HG21 ILE 532 1HG2 ILE 532 15.274 -0.213 1.725 188 HG22 ILE 532 2HG2 ILE 532 16.762 0.717 1.546 189 HG23 ILE 532 3HG2 ILE 532 16.835 -0.993 1.979 190 HD11 ILE 532 3HD1 ILE 532 14.132 0.709 0.853 191 HD12 ILE 532 1HD1 ILE 532 13.498 1.255 -0.701 192 HD13 ILE 532 2HD1 ILE 532 15.028 1.894 -0.100 193 HA PRO 533 HA PRO 533 18.761 -2.484 -3.927 194 HB2 PRO 533 2HB PRO 533 19.206 -4.999 -3.110 195 HB3 PRO 533 1HB PRO 533 20.351 -3.694 -2.786 196 HG2 PRO 533 2HG PRO 533 18.519 -5.087 -0.941 197 HG3 PRO 533 1HG PRO 533 20.024 -4.224 -0.594 198 HD2 PRO 533 2HD PRO 533 17.329 -3.279 -0.310 199 HD3 PRO 533 1HD PRO 533 18.835 -2.409 0.040 200 H TYR 534 H TYR 534 15.906 -2.758 -2.252 201 HA TYR 534 HA TYR 534 14.524 -3.864 -4.430 202 HB2 TYR 534 2HB TYR 534 13.787 -6.022 -3.403 203 HB3 TYR 534 1HB TYR 534 15.481 -5.975 -3.875 204 HD1 TYR 534 1HD TYR 534 13.196 -5.731 -0.966 205 HD2 TYR 534 2HD TYR 534 17.188 -6.362 -2.295 206 HE1 TYR 534 1HE TYR 534 13.836 -6.418 1.305 207 HE2 TYR 534 2HE TYR 534 17.840 -7.051 -0.025 208 HH TYR 534 HH TYR 534 16.854 -7.896 1.998 209 H PHE 535 H PHE 535 14.479 -3.014 -1.016 210 HA PHE 535 HA PHE 535 11.741 -3.341 -0.531 211 HB2 PHE 535 2HB PHE 535 13.492 -1.164 0.624 212 HB3 PHE 535 1HB PHE 535 11.968 -1.732 1.280 213 HD1 PHE 535 2HD PHE 535 15.453 -2.712 0.603 214 HD2 PHE 535 1HD PHE 535 11.890 -3.561 2.745 215 HE1 PHE 535 2HE PHE 535 16.689 -4.295 1.993 216 HE2 PHE 535 1HE PHE 535 13.119 -5.161 4.153 217 HZ PHE 535 HZ PHE 535 15.526 -5.530 3.777 218 H GLY 536 H GLY 536 13.422 -0.896 -2.345 219 HA2 GLY 536 2HA GLY 536 10.919 0.649 -2.550 220 HA3 GLY 536 1HA GLY 536 12.525 1.310 -2.805 221 HA PRO 537 HA PRO 537 12.491 0.619 -7.143 222 HB2 PRO 537 2HB PRO 537 14.617 -1.450 -6.971 223 HB3 PRO 537 1HB PRO 537 14.584 0.055 -7.895 224 HG2 PRO 537 2HG PRO 537 16.075 -0.154 -5.700 225 HG3 PRO 537 1HG PRO 537 15.201 1.347 -6.062 226 HD2 PRO 537 2HD PRO 537 14.529 -0.818 -4.110 227 HD3 PRO 537 1HD PRO 537 14.370 0.941 -3.942 228 H ALA 538 H ALA 538 12.819 -2.412 -5.338 229 HA ALA 538 HA ALA 538 11.445 -3.910 -7.407 230 HB1 ALA 538 1HB ALA 538 13.373 -4.687 -5.781 231 HB2 ALA 538 2HB ALA 538 12.138 -5.810 -6.347 232 HB3 ALA 538 3HB ALA 538 12.010 -5.095 -4.740 233 H ALA 539 H ALA 539 10.624 -2.165 -4.576 234 HA ALA 539 HA ALA 539 8.387 -3.552 -3.646 235 HB1 ALA 539 1HB ALA 539 8.689 -1.915 -2.163 236 HB2 ALA 539 2HB ALA 539 7.743 -0.903 -3.253 237 HB3 ALA 539 3HB ALA 539 9.505 -0.885 -3.339 238 H GLU 540 H GLU 540 6.168 -3.292 -4.017 239 HA GLU 540 HA GLU 540 5.215 -1.698 -6.221 240 HB2 GLU 540 2HB GLU 540 4.980 -4.705 -6.409 241 HB3 GLU 540 1HB GLU 540 4.365 -3.529 -7.562 242 HG2 GLU 540 2HG GLU 540 6.716 -2.815 -7.976 243 HG3 GLU 540 1HG GLU 540 7.241 -4.157 -6.959 244 H GLY 541 H GLY 541 4.605 -4.146 -3.774 245 HA2 GLY 541 2HA GLY 541 1.817 -3.187 -3.583 246 HA3 GLY 541 1HA GLY 541 2.328 -4.815 -3.156 247 H ILE 542 H ILE 542 4.151 -1.949 -2.340 248 HA ILE 542 HA ILE 542 3.176 -1.982 0.409 249 HB ILE 542 HB ILE 542 6.137 -1.972 0.071 250 HG12 ILE 542 2HG1 ILE 542 6.009 -4.516 0.534 251 HG13 ILE 542 1HG1 ILE 542 4.384 -4.407 -0.136 252 HG21 ILE 542 1HG2 ILE 542 6.178 -2.577 2.304 253 HG22 ILE 542 2HG2 ILE 542 4.574 -3.307 2.243 254 HG23 ILE 542 3HG2 ILE 542 4.746 -1.552 2.216 255 HD11 ILE 542 3HD1 ILE 542 5.869 -3.093 -2.014 256 HD12 ILE 542 1HD1 ILE 542 5.381 -4.787 -2.092 257 HD13 ILE 542 2HD1 ILE 542 6.974 -4.357 -1.470 258 H TYR 543 H TYR 543 5.108 -0.549 -2.133 259 HA TYR 543 HA TYR 543 5.280 1.957 -0.687 260 HB2 TYR 543 2HB TYR 543 7.184 2.316 -1.842 261 HB3 TYR 543 1HB TYR 543 7.130 0.585 -2.086 262 HD1 TYR 543 1HD TYR 543 5.724 -0.151 -4.220 263 HD2 TYR 543 2HD TYR 543 7.541 3.655 -3.685 264 HE1 TYR 543 1HE TYR 543 5.726 0.182 -6.652 265 HE2 TYR 543 2HE TYR 543 7.552 4.002 -6.115 266 HH TYR 543 HH TYR 543 7.498 2.644 -8.172 267 H ILE 544 H ILE 544 3.941 0.516 -3.589 268 HA ILE 544 HA ILE 544 2.669 1.339 -5.309 269 HB ILE 544 HB ILE 544 1.104 2.541 -3.037 270 HG12 ILE 544 2HG1 ILE 544 -0.046 0.292 -2.990 271 HG13 ILE 544 1HG1 ILE 544 1.293 -0.329 -3.950 272 HG21 ILE 544 1HG2 ILE 544 0.057 3.157 -5.008 273 HG22 ILE 544 2HG2 ILE 544 -0.780 1.665 -4.584 274 HG23 ILE 544 3HG2 ILE 544 0.477 1.650 -5.820 275 HD11 ILE 544 3HD1 ILE 544 2.033 1.105 -1.490 276 HD12 ILE 544 1HD1 ILE 544 2.692 -0.371 -2.195 277 HD13 ILE 544 2HD1 ILE 544 1.190 -0.429 -1.274 278 H GLU 545 H GLU 545 2.277 3.969 -2.985 279 HA GLU 545 HA GLU 545 2.556 6.216 -3.126 280 HB2 GLU 545 2HB GLU 545 4.353 5.652 -5.477 281 HB3 GLU 545 1HB GLU 545 4.353 7.084 -4.453 282 HG2 GLU 545 2HG GLU 545 4.876 5.496 -2.534 283 HG3 GLU 545 1HG GLU 545 5.242 4.304 -3.779 284 H GLY 546 H GLY 546 0.382 4.999 -4.434 285 HA2 GLY 546 2HA GLY 546 -0.273 7.145 -6.300 286 HA3 GLY 546 1HA GLY 546 -0.390 5.501 -6.912 287 H LEU 547 H LEU 547 -1.105 5.781 -3.596 288 HA LEU 547 HA LEU 547 -3.901 6.397 -3.911 289 HB2 LEU 547 2HB LEU 547 -4.861 4.323 -3.582 290 HB3 LEU 547 1HB LEU 547 -3.556 3.993 -4.703 291 HG LEU 547 HG LEU 547 -3.545 3.434 -1.736 292 HD11 LEU 547 1HD1 LEU 547 -4.772 1.985 -3.642 293 HD12 LEU 547 2HD1 LEU 547 -4.035 1.285 -2.201 294 HD13 LEU 547 3HD1 LEU 547 -3.149 1.298 -3.727 295 HD21 LEU 547 3HD2 LEU 547 -1.327 3.694 -1.964 296 HD22 LEU 547 1HD2 LEU 547 -1.394 3.602 -3.724 297 HD23 LEU 547 2HD2 LEU 547 -1.404 2.124 -2.763 298 H MET 548 H MET 548 -1.192 5.844 -1.898 299 HA MET 548 HA MET 548 -2.501 5.556 0.581 300 HB2 MET 548 2HB MET 548 -0.201 6.536 1.423 301 HB3 MET 548 1HB MET 548 -0.313 4.908 0.777 302 HG2 MET 548 2HG MET 548 1.645 6.112 -0.050 303 HG3 MET 548 1HG MET 548 0.554 5.647 -1.352 304 HE1 MET 548 3HE MET 548 0.509 6.756 -3.056 305 HE2 MET 548 1HE MET 548 1.601 8.132 -3.203 306 HE3 MET 548 2HE MET 548 -0.145 8.381 -3.264 307 H HIS 549 H HIS 549 -4.122 7.322 -0.104 308 HA HIS 549 HA HIS 549 -3.234 9.840 1.134 309 HB2 HIS 549 2HB HIS 549 -5.434 10.187 -0.751 310 HB3 HIS 549 1HB HIS 549 -3.943 11.102 -0.586 311 HD1 HIS 549 1HD HIS 549 -5.577 9.634 -3.153 312 HD2 HIS 549 2HD HIS 549 -1.772 8.969 -1.626 313 HE1 HIS 549 1HE HIS 549 -4.275 8.588 -5.030 314 HE2 HIS 549 2HE HIS 549 -1.949 8.276 -4.112 315 H ASN 550 H ASN 550 -4.502 7.557 2.349 316 HA ASN 550 HA ASN 550 -6.186 7.043 3.790 317 HB2 ASN 550 2HB ASN 550 -6.559 10.042 3.700 318 HB3 ASN 550 1HB ASN 550 -7.394 8.979 4.828 319 HD21 ASN 550 1HD2 ASN 550 -5.023 11.095 4.715 320 HD22 ASN 550 2HD2 ASN 550 -3.920 10.432 5.867 321 H GLN 551 H GLN 551 -7.329 5.854 2.224 322 HA GLN 551 HA GLN 551 -9.646 7.235 1.065 323 HB2 GLN 551 2HB GLN 551 -9.233 4.630 -0.087 324 HB3 GLN 551 1HB GLN 551 -9.283 6.197 -0.873 325 HG2 GLN 551 2HG GLN 551 -7.152 5.899 -1.382 326 HG3 GLN 551 1HG GLN 551 -6.780 6.126 0.323 327 HE21 GLN 551 1HE2 GLN 551 -7.117 4.054 1.652 328 HE22 GLN 551 2HE2 GLN 551 -6.476 2.608 0.963 329 H ASP 552 H ASP 552 -9.022 3.829 1.642 330 HA ASP 552 HA ASP 552 -10.124 2.230 2.825 331 HB2 ASP 552 2HB ASP 552 -10.542 4.647 4.378 332 HB3 ASP 552 1HB ASP 552 -11.918 3.557 4.512 333 H GLY 553 H GLY 553 -11.359 3.970 0.510 334 HA2 GLY 553 2HA GLY 553 -14.083 2.855 0.773 335 HA3 GLY 553 1HA GLY 553 -13.720 4.342 -0.095 336 H LEU 554 H LEU 554 -11.301 3.289 -1.304 337 HA LEU 554 HA LEU 554 -12.522 1.955 -3.555 338 HB2 LEU 554 2HB LEU 554 -10.283 2.174 -4.570 339 HB3 LEU 554 1HB LEU 554 -10.939 3.697 -4.003 340 HG LEU 554 HG LEU 554 -9.445 2.825 -1.835 341 HD11 LEU 554 1HD1 LEU 554 -7.646 2.464 -4.192 342 HD12 LEU 554 2HD1 LEU 554 -8.583 1.096 -3.590 343 HD13 LEU 554 3HD1 LEU 554 -7.445 1.923 -2.526 344 HD21 LEU 554 3HD2 LEU 554 -7.800 4.558 -2.691 345 HD22 LEU 554 1HD2 LEU 554 -9.468 5.092 -2.488 346 HD23 LEU 554 2HD2 LEU 554 -8.851 4.720 -4.097 347 H ILE 555 H ILE 555 -11.391 0.864 -0.689 348 HA ILE 555 HA ILE 555 -10.824 -1.785 -1.772 349 HB ILE 555 HB ILE 555 -8.943 -2.085 -0.209 350 HG12 ILE 555 2HG1 ILE 555 -9.591 -0.336 1.420 351 HG13 ILE 555 1HG1 ILE 555 -7.927 -0.179 0.896 352 HG21 ILE 555 1HG2 ILE 555 -7.544 -1.510 -1.832 353 HG22 ILE 555 2HG2 ILE 555 -7.884 0.208 -1.613 354 HG23 ILE 555 3HG2 ILE 555 -8.925 -0.774 -2.645 355 HD11 ILE 555 3HD1 ILE 555 -9.215 1.420 -0.874 356 HD12 ILE 555 1HD1 ILE 555 -8.410 1.958 0.596 357 HD13 ILE 555 2HD1 ILE 555 -10.147 1.662 0.602 358 H CYS 556 H CYS 556 -11.457 0.245 1.036 359 HA CYS 556 HA CYS 556 -12.652 -2.061 2.395 360 HB2 CYS 556 2HB CYS 556 -10.737 -0.289 3.298 361 HB3 CYS 556 1HB CYS 556 -12.217 0.346 4.008 362 H GLY 557 H GLY 557 -14.335 -1.164 0.566 363 HA2 GLY 557 2HA GLY 557 -16.707 -0.676 1.661 364 HA3 GLY 557 1HA GLY 557 -16.013 0.935 1.708 365 H LEU 558 H LEU 558 -15.695 -1.528 -0.830 366 HA LEU 558 HA LEU 558 -17.186 0.270 -2.622 367 HB2 LEU 558 2HB LEU 558 -15.688 -0.245 -4.433 368 HB3 LEU 558 1HB LEU 558 -14.771 0.386 -3.081 369 HG LEU 558 HG LEU 558 -15.005 -2.563 -3.644 370 HD11 LEU 558 1HD1 LEU 558 -12.820 -0.682 -4.522 371 HD12 LEU 558 2HD1 LEU 558 -14.017 -1.424 -5.583 372 HD13 LEU 558 3HD1 LEU 558 -12.846 -2.433 -4.735 373 HD21 LEU 558 3HD2 LEU 558 -12.645 -2.167 -2.403 374 HD22 LEU 558 1HD2 LEU 558 -14.147 -2.541 -1.562 375 HD23 LEU 558 2HD2 LEU 558 -13.601 -0.869 -1.688 376 H ARG 559 H ARG 559 -16.178 -3.048 -1.951 377 HA ARG 559 HA ARG 559 -18.700 -4.134 -2.504 378 HB2 ARG 559 2HB ARG 559 -18.371 -5.266 -4.585 379 HB3 ARG 559 1HB ARG 559 -17.976 -3.574 -4.849 380 HG2 ARG 559 2HG ARG 559 -15.640 -5.044 -4.040 381 HG3 ARG 559 1HG ARG 559 -16.400 -5.798 -5.444 382 HD2 ARG 559 2HD ARG 559 -16.363 -2.958 -5.788 383 HD3 ARG 559 1HD ARG 559 -14.747 -3.517 -5.361 384 HE ARG 559 HE ARG 559 -14.594 -4.537 -7.404 385 HH11 ARG 559 1HH1 ARG 559 -17.933 -3.718 -6.804 386 HH12 ARG 559 2HH1 ARG 559 -18.452 -4.134 -8.402 387 HH21 ARG 559 1HH2 ARG 559 -15.275 -5.085 -9.506 388 HH22 ARG 559 2HH2 ARG 559 -16.944 -4.912 -9.936 389 H GLN 560 H GLN 560 -16.667 -4.264 -0.569 390 HA GLN 560 HA GLN 560 -15.843 -7.076 -0.702 391 HB2 GLN 560 2HB GLN 560 -14.235 -6.316 1.161 392 HB3 GLN 560 1HB GLN 560 -13.894 -5.825 -0.490 393 HG2 GLN 560 2HG GLN 560 -13.566 -4.037 1.201 394 HG3 GLN 560 1HG GLN 560 -14.687 -3.625 -0.094 395 HE21 GLN 560 1HE2 GLN 560 -16.497 -2.704 0.503 396 HE22 GLN 560 2HE2 GLN 560 -17.240 -2.822 2.059 Start of MODEL 20 1 H1 ALA 507 1HT ALA 507 -14.208 -13.761 -0.834 2 H2 ALA 507 2HT ALA 507 -14.779 -15.224 -0.143 3 H3 ALA 507 3HT ALA 507 -13.732 -14.200 0.753 4 HA ALA 507 HA ALA 507 -16.396 -13.407 -0.195 5 HB1 ALA 507 1HB ALA 507 -16.555 -15.318 1.343 6 HB2 ALA 507 2HB ALA 507 -17.206 -13.838 2.047 7 HB3 ALA 507 3HB ALA 507 -15.614 -14.420 2.535 8 H GLN 508 H GLN 508 -16.290 -11.277 -0.386 9 HA GLN 508 HA GLN 508 -16.217 -9.103 0.322 10 HB2 GLN 508 2HB GLN 508 -14.553 -9.927 2.698 11 HB3 GLN 508 1HB GLN 508 -15.472 -8.443 2.481 12 HG2 GLN 508 2HG GLN 508 -17.070 -10.892 2.326 13 HG3 GLN 508 1HG GLN 508 -16.312 -10.603 3.891 14 HE21 GLN 508 1HE2 GLN 508 -17.464 -8.223 1.560 15 HE22 GLN 508 2HE2 GLN 508 -18.677 -7.540 2.583 16 HA PRO 509 HA PRO 509 -11.984 -9.312 -1.563 17 HB2 PRO 509 2HB PRO 509 -13.295 -8.083 -3.866 18 HB3 PRO 509 1HB PRO 509 -12.376 -9.585 -3.795 19 HG2 PRO 509 2HG PRO 509 -15.041 -9.538 -4.202 20 HG3 PRO 509 1HG PRO 509 -14.245 -10.844 -3.302 21 HD2 PRO 509 2HD PRO 509 -15.715 -8.442 -2.247 22 HD3 PRO 509 1HD PRO 509 -15.818 -10.139 -1.730 23 H LYS 510 H LYS 510 -12.108 -7.619 0.260 24 HA LYS 510 HA LYS 510 -11.651 -4.994 -0.951 25 HB2 LYS 510 2HB LYS 510 -13.508 -5.564 1.351 26 HB3 LYS 510 1HB LYS 510 -12.975 -3.954 0.894 27 HG2 LYS 510 2HG LYS 510 -14.905 -3.970 -0.272 28 HG3 LYS 510 1HG LYS 510 -13.909 -4.796 -1.472 29 HD2 LYS 510 2HD LYS 510 -14.642 -6.965 -0.525 30 HD3 LYS 510 1HD LYS 510 -15.701 -6.096 0.580 31 HE2 LYS 510 2HE LYS 510 -16.699 -5.035 -1.534 32 HE3 LYS 510 1HE LYS 510 -15.878 -6.331 -2.404 33 HZ1 LYS 510 3HZ LYS 510 -17.992 -6.598 -0.342 34 HZ2 LYS 510 1HZ LYS 510 -17.071 -7.905 -0.893 35 HZ3 LYS 510 2HZ LYS 510 -18.067 -7.062 -1.967 36 H CYS 511 H CYS 511 -11.081 -3.481 1.159 37 HA CYS 511 HA CYS 511 -9.246 -2.932 2.411 38 HB2 CYS 511 2HB CYS 511 -10.788 -5.010 3.747 39 HB3 CYS 511 1HB CYS 511 -9.114 -4.974 4.289 40 H ASN 512 H ASN 512 -8.101 -3.698 0.318 41 HA ASN 512 HA ASN 512 -6.417 -6.015 0.716 42 HB2 ASN 512 2HB ASN 512 -6.410 -4.109 -1.619 43 HB3 ASN 512 1HB ASN 512 -5.696 -5.714 -1.556 44 HD21 ASN 512 1HD2 ASN 512 -8.793 -4.012 -1.303 45 HD22 ASN 512 2HD2 ASN 512 -9.745 -5.291 -1.962 46 HA PRO 513 HA PRO 513 -3.122 -2.664 1.060 47 HB2 PRO 513 2HB PRO 513 -3.672 -0.175 0.183 48 HB3 PRO 513 1HB PRO 513 -3.338 -1.515 -0.916 49 HG2 PRO 513 2HG PRO 513 -5.844 -0.110 -0.499 50 HG3 PRO 513 1HG PRO 513 -5.435 -1.310 -1.733 51 HD2 PRO 513 2HD PRO 513 -6.812 -1.672 0.847 52 HD3 PRO 513 1HD PRO 513 -6.840 -2.689 -0.607 53 H ASN 514 H ASN 514 -5.697 -2.676 2.822 54 HA ASN 514 HA ASN 514 -4.984 -0.353 4.484 55 HB2 ASN 514 2HB ASN 514 -7.582 -1.487 3.673 56 HB3 ASN 514 1HB ASN 514 -7.453 -1.135 5.393 57 HD21 ASN 514 1HD2 ASN 514 -7.292 0.234 2.167 58 HD22 ASN 514 2HD2 ASN 514 -7.567 1.868 2.650 59 H LEU 515 H LEU 515 -3.425 -2.490 4.663 60 HA LEU 515 HA LEU 515 -4.367 -4.125 6.893 61 HB2 LEU 515 2HB LEU 515 -1.719 -4.573 5.633 62 HB3 LEU 515 1HB LEU 515 -2.871 -5.735 6.252 63 HG LEU 515 HG LEU 515 -2.904 -6.155 3.980 64 HD11 LEU 515 1HD1 LEU 515 -5.029 -4.098 3.809 65 HD12 LEU 515 2HD1 LEU 515 -5.177 -5.324 5.068 66 HD13 LEU 515 3HD1 LEU 515 -5.062 -5.808 3.376 67 HD21 LEU 515 3HD2 LEU 515 -2.114 -4.759 2.435 68 HD22 LEU 515 1HD2 LEU 515 -1.785 -3.628 3.748 69 HD23 LEU 515 2HD2 LEU 515 -3.297 -3.520 2.849 70 H HIS 516 H HIS 516 -1.418 -2.328 5.955 71 HA HIS 516 HA HIS 516 -1.181 -1.012 8.427 72 HB2 HIS 516 2HB HIS 516 0.292 -2.258 9.674 73 HB3 HIS 516 1HB HIS 516 -0.626 -3.547 8.901 74 HD1 HIS 516 1HD HIS 516 0.590 -4.976 7.148 75 HD2 HIS 516 2HD HIS 516 2.899 -1.918 8.734 76 HE1 HIS 516 1HE HIS 516 2.909 -5.380 6.279 77 HE2 HIS 516 2HE HIS 516 4.333 -3.623 7.405 78 H TYR 517 H TYR 517 0.992 -2.527 6.026 79 HA TYR 517 HA TYR 517 2.943 -0.569 6.040 80 HB2 TYR 517 2HB TYR 517 2.930 -1.491 3.393 81 HB3 TYR 517 1HB TYR 517 3.966 -2.005 4.706 82 HD1 TYR 517 2HD TYR 517 0.310 -2.806 4.400 83 HD2 TYR 517 1HD TYR 517 4.319 -4.207 4.063 84 HE1 TYR 517 2HE TYR 517 -0.511 -5.106 4.157 85 HE2 TYR 517 1HE TYR 517 3.496 -6.506 3.802 86 HH TYR 517 HH TYR 517 1.257 -7.758 4.574 87 H TRP 518 H TRP 518 -0.178 -0.354 4.621 88 HA TRP 518 HA TRP 518 0.724 2.037 3.155 89 HB2 TRP 518 2HB TRP 518 -1.837 0.759 2.375 90 HB3 TRP 518 1HB TRP 518 -0.635 1.554 1.389 91 HD1 TRP 518 HD TRP 518 0.735 -1.293 3.425 92 HE1 TRP 518 1HE TRP 518 1.173 -3.275 1.933 93 HE3 TRP 518 3HE TRP 518 -1.623 0.360 -0.787 94 HZ2 TRP 518 2HZ TRP 518 0.572 -4.108 -0.703 95 HZ3 TRP 518 3HZ TRP 518 -1.643 -1.106 -2.764 96 HH2 TRP 518 HH TRP 518 -0.561 -3.294 -2.723 97 H THR 519 H THR 519 -1.554 0.720 5.390 98 HA THR 519 HA THR 519 -3.321 2.977 5.396 99 HB THR 519 HB THR 519 -4.292 0.919 6.038 100 HG1 THR 519 1HG THR 519 -3.816 2.253 8.490 101 HG21 THR 519 3HG2 THR 519 -3.081 0.195 8.464 102 HG22 THR 519 1HG2 THR 519 -1.779 0.410 7.292 103 HG23 THR 519 2HG2 THR 519 -3.106 -0.701 6.946 104 H THR 520 H THR 520 -0.334 2.219 6.885 105 HA THR 520 HA THR 520 -0.700 4.270 8.947 106 HB THR 520 HB THR 520 1.017 1.894 8.649 107 HG1 THR 520 1HG THR 520 -0.058 1.626 10.413 108 HG21 THR 520 3HG2 THR 520 2.165 4.449 9.695 109 HG22 THR 520 1HG2 THR 520 2.912 3.233 8.659 110 HG23 THR 520 2HG2 THR 520 2.647 2.893 10.371 111 H GLN 521 H GLN 521 2.046 3.317 6.919 112 HA GLN 521 HA GLN 521 2.713 6.144 6.612 113 HB2 GLN 521 2HB GLN 521 4.940 5.454 6.152 114 HB3 GLN 521 1HB GLN 521 4.390 4.495 7.516 115 HG2 GLN 521 2HG GLN 521 4.391 2.553 6.343 116 HG3 GLN 521 1HG GLN 521 4.078 3.345 4.806 117 HE21 GLN 521 1HE2 GLN 521 6.052 5.146 4.543 118 HE22 GLN 521 2HE2 GLN 521 7.596 4.377 4.530 119 H ASP 522 H ASP 522 4.333 5.855 4.343 120 HA ASP 522 HA ASP 522 2.274 5.778 2.273 121 HB2 ASP 522 2HB ASP 522 5.082 6.863 2.279 122 HB3 ASP 522 1HB ASP 522 4.007 6.910 0.887 123 H GLU 523 H GLU 523 3.395 3.341 3.374 124 HA GLU 523 HA GLU 523 4.074 1.282 2.677 125 HB2 GLU 523 2HB GLU 523 3.898 2.383 -0.125 126 HB3 GLU 523 1HB GLU 523 3.766 0.702 0.376 127 HG2 GLU 523 2HG GLU 523 1.640 0.979 1.225 128 HG3 GLU 523 1HG GLU 523 1.833 2.722 1.405 129 H GLY 524 H GLY 524 5.921 3.766 2.819 130 HA2 GLY 524 2HA GLY 524 8.313 3.340 3.114 131 HA3 GLY 524 1HA GLY 524 8.252 2.416 1.620 132 H ALA 525 H ALA 525 6.445 5.362 1.806 133 HA ALA 525 HA ALA 525 8.273 6.524 -0.143 134 HB1 ALA 525 1HB ALA 525 5.603 6.296 -0.257 135 HB2 ALA 525 2HB ALA 525 6.518 7.538 -1.110 136 HB3 ALA 525 3HB ALA 525 5.747 7.913 0.432 137 H ALA 526 H ALA 526 7.836 6.707 3.124 138 HA ALA 526 HA ALA 526 8.220 9.529 3.387 139 HB1 ALA 526 1HB ALA 526 6.986 8.835 5.173 140 HB2 ALA 526 2HB ALA 526 8.601 8.722 5.873 141 HB3 ALA 526 3HB ALA 526 7.802 7.274 5.261 142 H ILE 527 H ILE 527 10.213 7.737 2.021 143 HA ILE 527 HA ILE 527 12.569 8.600 3.534 144 HB ILE 527 HB ILE 527 13.401 6.356 2.170 145 HG12 ILE 527 2HG1 ILE 527 10.912 5.890 1.841 146 HG13 ILE 527 1HG1 ILE 527 11.877 4.585 2.517 147 HG21 ILE 527 1HG2 ILE 527 12.601 6.719 5.045 148 HG22 ILE 527 2HG2 ILE 527 14.205 6.914 4.335 149 HG23 ILE 527 3HG2 ILE 527 13.478 5.311 4.447 150 HD11 ILE 527 3HD1 ILE 527 10.813 6.215 4.619 151 HD12 ILE 527 1HD1 ILE 527 10.576 4.496 4.302 152 HD13 ILE 527 2HD1 ILE 527 9.526 5.688 3.535 153 H GLY 528 H GLY 528 11.683 7.122 0.389 154 HA2 GLY 528 2HA GLY 528 12.068 9.036 -1.400 155 HA3 GLY 528 1HA GLY 528 13.731 8.750 -0.908 156 H LEU 529 H LEU 529 12.957 5.843 -0.469 157 HA LEU 529 HA LEU 529 12.867 3.870 -1.604 158 HB2 LEU 529 2HB LEU 529 11.986 5.667 -3.828 159 HB3 LEU 529 1HB LEU 529 12.196 3.946 -4.053 160 HG LEU 529 HG LEU 529 10.439 3.461 -2.491 161 HD11 LEU 529 1HD1 LEU 529 10.473 6.422 -1.953 162 HD12 LEU 529 2HD1 LEU 529 10.801 5.114 -0.818 163 HD13 LEU 529 3HD1 LEU 529 9.169 5.349 -1.444 164 HD21 LEU 529 3HD2 LEU 529 8.553 4.419 -3.640 165 HD22 LEU 529 1HD2 LEU 529 9.820 4.063 -4.811 166 HD23 LEU 529 2HD2 LEU 529 9.554 5.722 -4.277 167 H ALA 530 H ALA 530 14.807 6.463 -2.663 168 HA ALA 530 HA ALA 530 16.421 4.873 -4.414 169 HB1 ALA 530 1HB ALA 530 17.984 6.990 -4.068 170 HB2 ALA 530 2HB ALA 530 16.477 7.687 -3.470 171 HB3 ALA 530 3HB ALA 530 16.561 7.041 -5.110 172 H TRP 531 H TRP 531 16.345 5.625 -1.085 173 HA TRP 531 HA TRP 531 19.017 5.097 -0.351 174 HB2 TRP 531 2HB TRP 531 18.069 4.842 1.926 175 HB3 TRP 531 1HB TRP 531 17.430 6.271 1.121 176 HD1 TRP 531 HD TRP 531 14.967 5.688 -0.230 177 HE1 TRP 531 1HE TRP 531 12.964 4.469 0.755 178 HE3 TRP 531 3HE TRP 531 17.308 3.286 3.624 179 HZ2 TRP 531 2HZ TRP 531 12.406 2.713 2.913 180 HZ3 TRP 531 3HZ TRP 531 15.963 1.859 5.110 181 HH2 TRP 531 HH TRP 531 13.562 1.579 4.760 182 H ILE 532 H ILE 532 16.420 3.129 -1.345 183 HA ILE 532 HA ILE 532 17.828 0.708 -0.474 184 HB ILE 532 HB ILE 532 15.520 -0.346 -0.562 185 HG12 ILE 532 2HG1 ILE 532 14.800 2.576 -0.720 186 HG13 ILE 532 1HG1 ILE 532 14.213 1.256 -1.721 187 HG21 ILE 532 1HG2 ILE 532 16.316 1.709 1.475 188 HG22 ILE 532 2HG2 ILE 532 16.594 -0.033 1.525 189 HG23 ILE 532 3HG2 ILE 532 14.963 0.605 1.722 190 HD11 ILE 532 3HD1 ILE 532 12.503 0.899 -0.359 191 HD12 ILE 532 1HD1 ILE 532 12.944 2.399 0.450 192 HD13 ILE 532 2HD1 ILE 532 13.545 0.858 1.060 193 HA PRO 533 HA PRO 533 17.810 -0.112 -4.849 194 HB2 PRO 533 2HB PRO 533 19.219 -2.373 -4.833 195 HB3 PRO 533 1HB PRO 533 19.957 -0.834 -4.377 196 HG2 PRO 533 2HG PRO 533 19.019 -3.072 -2.644 197 HG3 PRO 533 1HG PRO 533 20.432 -2.022 -2.455 198 HD2 PRO 533 2HD PRO 533 17.981 -1.725 -1.142 199 HD3 PRO 533 1HD PRO 533 19.244 -0.487 -1.276 200 H TYR 534 H TYR 534 16.343 -2.245 -2.514 201 HA TYR 534 HA TYR 534 14.756 -3.402 -4.689 202 HB2 TYR 534 2HB TYR 534 14.863 -5.630 -3.575 203 HB3 TYR 534 1HB TYR 534 16.401 -5.084 -4.237 204 HD1 TYR 534 2HD TYR 534 14.469 -5.386 -1.082 205 HD2 TYR 534 1HD TYR 534 18.300 -4.895 -2.865 206 HE1 TYR 534 2HE TYR 534 15.526 -5.732 1.111 207 HE2 TYR 534 1HE TYR 534 19.369 -5.239 -0.676 208 HH TYR 534 HH TYR 534 18.893 -6.239 1.469 209 H PHE 535 H PHE 535 14.935 -2.405 -1.347 210 HA PHE 535 HA PHE 535 12.537 -3.501 -0.429 211 HB2 PHE 535 2HB PHE 535 13.851 -0.900 0.352 212 HB3 PHE 535 1HB PHE 535 12.549 -1.665 1.248 213 HD1 PHE 535 2HD PHE 535 12.952 -3.763 2.460 214 HD2 PHE 535 1HD PHE 535 16.094 -1.665 0.508 215 HE1 PHE 535 2HE PHE 535 14.608 -5.029 3.766 216 HE2 PHE 535 1HE PHE 535 17.750 -2.917 1.809 217 HZ PHE 535 HZ PHE 535 17.013 -4.606 3.441 218 H GLY 536 H GLY 536 13.146 -0.417 -2.075 219 HA2 GLY 536 2HA GLY 536 10.229 -0.017 -2.232 220 HA3 GLY 536 1HA GLY 536 11.425 1.264 -2.341 221 HA PRO 537 HA PRO 537 11.806 1.161 -6.725 222 HB2 PRO 537 2HB PRO 537 14.372 -0.354 -6.627 223 HB3 PRO 537 1HB PRO 537 13.988 1.157 -7.461 224 HG2 PRO 537 2HG PRO 537 15.417 1.173 -5.217 225 HG3 PRO 537 1HG PRO 537 14.211 2.434 -5.528 226 HD2 PRO 537 2HD PRO 537 14.073 0.083 -3.698 227 HD3 PRO 537 1HD PRO 537 13.396 1.713 -3.499 228 H ALA 538 H ALA 538 12.905 -1.910 -5.313 229 HA ALA 538 HA ALA 538 11.943 -3.433 -7.576 230 HB1 ALA 538 1HB ALA 538 12.943 -4.439 -4.914 231 HB2 ALA 538 2HB ALA 538 13.960 -4.117 -6.318 232 HB3 ALA 538 3HB ALA 538 12.733 -5.381 -6.389 233 H ALA 539 H ALA 539 10.848 -2.552 -4.378 234 HA ALA 539 HA ALA 539 8.877 -4.397 -3.846 235 HB1 ALA 539 1HB ALA 539 7.694 -2.089 -3.020 236 HB2 ALA 539 2HB ALA 539 9.390 -1.611 -3.113 237 HB3 ALA 539 3HB ALA 539 8.912 -2.983 -2.113 238 H GLU 540 H GLU 540 6.535 -4.267 -4.116 239 HA GLU 540 HA GLU 540 5.552 -2.702 -6.361 240 HB2 GLU 540 2HB GLU 540 5.267 -5.708 -6.374 241 HB3 GLU 540 1HB GLU 540 4.739 -4.585 -7.619 242 HG2 GLU 540 2HG GLU 540 7.105 -3.990 -8.025 243 HG3 GLU 540 1HG GLU 540 7.579 -5.223 -6.856 244 H GLY 541 H GLY 541 4.855 -5.196 -3.953 245 HA2 GLY 541 2HA GLY 541 2.121 -4.116 -3.711 246 HA3 GLY 541 1HA GLY 541 2.590 -5.754 -3.277 247 H ILE 542 H ILE 542 4.650 -3.098 -2.451 248 HA ILE 542 HA ILE 542 3.605 -2.980 0.275 249 HB ILE 542 HB ILE 542 6.553 -3.251 0.027 250 HG12 ILE 542 2HG1 ILE 542 6.195 -5.779 0.378 251 HG13 ILE 542 1HG1 ILE 542 4.597 -5.503 -0.318 252 HG21 ILE 542 1HG2 ILE 542 4.458 -3.532 2.073 253 HG22 ILE 542 2HG2 ILE 542 6.126 -2.978 2.222 254 HG23 ILE 542 3HG2 ILE 542 5.770 -4.705 2.178 255 HD11 ILE 542 3HD1 ILE 542 6.259 -4.215 -2.081 256 HD12 ILE 542 1HD1 ILE 542 5.590 -5.838 -2.286 257 HD13 ILE 542 2HD1 ILE 542 7.204 -5.632 -1.605 258 H TYR 543 H TYR 543 4.841 -1.393 -2.408 259 HA TYR 543 HA TYR 543 5.497 0.911 -0.783 260 HB2 TYR 543 2HB TYR 543 7.466 1.203 -1.827 261 HB3 TYR 543 1HB TYR 543 7.339 -0.515 -2.097 262 HD1 TYR 543 2HD TYR 543 6.279 -1.269 -4.317 263 HD2 TYR 543 1HD TYR 543 7.747 2.659 -3.619 264 HE1 TYR 543 2HE TYR 543 6.439 -0.904 -6.740 265 HE2 TYR 543 1HE TYR 543 7.920 3.038 -6.037 266 HH TYR 543 HH TYR 543 8.154 1.643 -8.110 267 H ILE 544 H ILE 544 4.387 -0.258 -3.917 268 HA ILE 544 HA ILE 544 3.277 0.735 -5.648 269 HB ILE 544 HB ILE 544 1.530 1.768 -3.431 270 HG12 ILE 544 2HG1 ILE 544 0.388 -0.559 -3.952 271 HG13 ILE 544 1HG1 ILE 544 2.031 -1.012 -4.390 272 HG21 ILE 544 1HG2 ILE 544 1.126 1.077 -6.316 273 HG22 ILE 544 2HG2 ILE 544 0.699 2.557 -5.457 274 HG23 ILE 544 3HG2 ILE 544 -0.225 1.081 -5.183 275 HD11 ILE 544 3HD1 ILE 544 1.687 -1.645 -2.137 276 HD12 ILE 544 1HD1 ILE 544 1.031 -0.063 -1.724 277 HD13 ILE 544 2HD1 ILE 544 2.738 -0.234 -2.117 278 H GLU 545 H GLU 545 2.725 3.179 -3.153 279 HA GLU 545 HA GLU 545 3.193 5.403 -3.041 280 HB2 GLU 545 2HB GLU 545 4.826 5.140 -5.550 281 HB3 GLU 545 1HB GLU 545 4.980 6.339 -4.271 282 HG2 GLU 545 2HG GLU 545 5.294 3.550 -3.434 283 HG3 GLU 545 1HG GLU 545 6.543 4.162 -4.516 284 H GLY 546 H GLY 546 0.977 4.260 -4.556 285 HA2 GLY 546 2HA GLY 546 0.358 6.653 -6.141 286 HA3 GLY 546 1HA GLY 546 0.119 5.069 -6.861 287 H LEU 547 H LEU 547 -0.509 4.827 -3.592 288 HA LEU 547 HA LEU 547 -3.275 5.744 -3.791 289 HB2 LEU 547 2HB LEU 547 -4.311 3.667 -3.454 290 HB3 LEU 547 1HB LEU 547 -3.157 3.433 -4.753 291 HG LEU 547 HG LEU 547 -2.769 2.591 -1.880 292 HD11 LEU 547 1HD1 LEU 547 -3.165 0.902 -4.343 293 HD12 LEU 547 2HD1 LEU 547 -4.430 1.271 -3.171 294 HD13 LEU 547 3HD1 LEU 547 -3.013 0.343 -2.678 295 HD21 LEU 547 3HD2 LEU 547 -0.952 2.790 -4.192 296 HD22 LEU 547 1HD2 LEU 547 -0.877 1.284 -3.276 297 HD23 LEU 547 2HD2 LEU 547 -0.602 2.826 -2.464 298 H MET 548 H MET 548 -0.589 4.900 -1.853 299 HA MET 548 HA MET 548 -1.926 4.582 0.619 300 HB2 MET 548 2HB MET 548 0.455 5.279 1.513 301 HB3 MET 548 1HB MET 548 0.177 3.707 0.788 302 HG2 MET 548 2HG MET 548 2.238 4.612 -0.025 303 HG3 MET 548 1HG MET 548 1.081 4.565 -1.346 304 HE1 MET 548 3HE MET 548 0.942 5.972 -2.829 305 HE2 MET 548 1HE MET 548 2.267 7.129 -2.955 306 HE3 MET 548 2HE MET 548 0.624 7.700 -2.672 307 H HIS 549 H HIS 549 -3.374 6.515 0.090 308 HA HIS 549 HA HIS 549 -2.270 8.840 1.507 309 HB2 HIS 549 2HB HIS 549 -4.307 9.625 -0.406 310 HB3 HIS 549 1HB HIS 549 -2.695 10.281 -0.159 311 HD1 HIS 549 1HD HIS 549 -4.542 9.106 -2.798 312 HD2 HIS 549 2HD HIS 549 -0.796 8.053 -1.350 313 HE1 HIS 549 1HE HIS 549 -3.358 8.019 -4.731 314 HE2 HIS 549 2HE HIS 549 -1.040 7.534 -3.871 315 H ASN 550 H ASN 550 -3.795 6.671 2.539 316 HA ASN 550 HA ASN 550 -5.594 6.246 3.869 317 HB2 ASN 550 2HB ASN 550 -4.976 9.034 4.199 318 HB3 ASN 550 1HB ASN 550 -6.718 8.805 4.309 319 HD21 ASN 550 1HD2 ASN 550 -7.471 8.335 6.236 320 HD22 ASN 550 2HD2 ASN 550 -6.586 7.608 7.530 321 H GLN 551 H GLN 551 -6.884 5.189 2.409 322 HA GLN 551 HA GLN 551 -8.965 6.816 1.123 323 HB2 GLN 551 2HB GLN 551 -8.726 4.262 -0.157 324 HB3 GLN 551 1HB GLN 551 -8.556 5.864 -0.851 325 HG2 GLN 551 2HG GLN 551 -6.449 5.328 -1.266 326 HG3 GLN 551 1HG GLN 551 -6.154 5.471 0.463 327 HE21 GLN 551 1HE2 GLN 551 -6.619 3.462 1.738 328 HE22 GLN 551 2HE2 GLN 551 -6.171 1.953 1.032 329 H ASP 552 H ASP 552 -8.590 3.356 1.585 330 HA ASP 552 HA ASP 552 -9.908 1.776 2.559 331 HB2 ASP 552 2HB ASP 552 -9.601 3.513 4.509 332 HB3 ASP 552 1HB ASP 552 -11.301 3.855 4.207 333 H GLY 553 H GLY 553 -10.846 3.669 0.326 334 HA2 GLY 553 2HA GLY 553 -13.695 2.908 0.459 335 HA3 GLY 553 1HA GLY 553 -13.155 4.425 -0.245 336 H LEU 554 H LEU 554 -10.815 3.232 -1.483 337 HA LEU 554 HA LEU 554 -12.110 2.175 -3.864 338 HB2 LEU 554 2HB LEU 554 -9.926 2.502 -4.905 339 HB3 LEU 554 1HB LEU 554 -10.490 3.959 -4.113 340 HG LEU 554 HG LEU 554 -8.979 2.826 -2.131 341 HD11 LEU 554 1HD1 LEU 554 -7.276 2.463 -4.555 342 HD12 LEU 554 2HD1 LEU 554 -8.322 1.147 -4.020 343 HD13 LEU 554 3HD1 LEU 554 -7.090 1.792 -2.935 344 HD21 LEU 554 3HD2 LEU 554 -8.841 5.133 -2.675 345 HD22 LEU 554 1HD2 LEU 554 -8.228 4.786 -4.292 346 HD23 LEU 554 2HD2 LEU 554 -7.222 4.466 -2.879 347 H ILE 555 H ILE 555 -11.244 0.771 -1.153 348 HA ILE 555 HA ILE 555 -10.549 -1.750 -2.420 349 HB ILE 555 HB ILE 555 -8.783 -2.181 -0.712 350 HG12 ILE 555 2HG1 ILE 555 -9.428 -0.482 0.941 351 HG13 ILE 555 1HG1 ILE 555 -7.761 -0.286 0.452 352 HG21 ILE 555 1HG2 ILE 555 -8.582 -0.819 -3.113 353 HG22 ILE 555 2HG2 ILE 555 -7.277 -1.616 -2.237 354 HG23 ILE 555 3HG2 ILE 555 -7.577 0.107 -1.998 355 HD11 ILE 555 3HD1 ILE 555 -8.287 1.857 0.254 356 HD12 ILE 555 1HD1 ILE 555 -10.014 1.527 0.146 357 HD13 ILE 555 2HD1 ILE 555 -8.994 1.367 -1.282 358 H CYS 556 H CYS 556 -11.198 0.040 0.536 359 HA CYS 556 HA CYS 556 -12.752 -2.236 1.548 360 HB2 CYS 556 2HB CYS 556 -10.604 -1.149 2.782 361 HB3 CYS 556 1HB CYS 556 -11.869 -0.102 3.418 362 H GLY 557 H GLY 557 -13.942 -0.647 -0.267 363 HA2 GLY 557 2HA GLY 557 -16.012 0.640 1.329 364 HA3 GLY 557 1HA GLY 557 -15.135 1.694 0.239 365 H LEU 558 H LEU 558 -14.833 -0.273 -1.870 366 HA LEU 558 HA LEU 558 -16.777 0.264 -3.601 367 HB2 LEU 558 2HB LEU 558 -16.510 -2.247 -4.383 368 HB3 LEU 558 1HB LEU 558 -15.231 -1.069 -4.592 369 HG LEU 558 HG LEU 558 -15.213 -2.680 -2.089 370 HD11 LEU 558 1HD1 LEU 558 -15.365 -3.922 -4.636 371 HD12 LEU 558 2HD1 LEU 558 -15.063 -4.662 -3.065 372 HD13 LEU 558 3HD1 LEU 558 -13.713 -4.091 -4.044 373 HD21 LEU 558 3HD2 LEU 558 -13.388 -1.065 -3.674 374 HD22 LEU 558 1HD2 LEU 558 -12.699 -2.625 -3.225 375 HD23 LEU 558 2HD2 LEU 558 -13.303 -1.536 -1.976 376 H ARG 559 H ARG 559 -17.026 -2.445 -1.305 377 HA ARG 559 HA ARG 559 -19.737 -2.062 -0.773 378 HB2 ARG 559 2HB ARG 559 -20.789 -3.875 -1.991 379 HB3 ARG 559 1HB ARG 559 -19.998 -2.796 -3.135 380 HG2 ARG 559 2HG ARG 559 -18.576 -5.196 -2.088 381 HG3 ARG 559 1HG ARG 559 -19.727 -5.345 -3.420 382 HD2 ARG 559 2HD ARG 559 -18.369 -3.391 -4.459 383 HD3 ARG 559 1HD ARG 559 -17.127 -3.872 -3.304 384 HE ARG 559 HE ARG 559 -16.697 -5.716 -4.589 385 HH11 ARG 559 1HH1 ARG 559 -19.771 -4.369 -5.548 386 HH12 ARG 559 2HH1 ARG 559 -19.942 -5.413 -6.919 387 HH21 ARG 559 1HH2 ARG 559 -16.921 -7.091 -6.392 388 HH22 ARG 559 2HH2 ARG 559 -18.326 -6.960 -7.397 389 H GLN 560 H GLN 560 -17.248 -2.753 0.441 390 HA GLN 560 HA GLN 560 -17.262 -5.444 1.333 391 HB2 GLN 560 2HB GLN 560 -15.853 -4.278 3.285 392 HB3 GLN 560 1HB GLN 560 -15.180 -4.620 1.708 393 HG2 GLN 560 2HG GLN 560 -14.579 -2.393 2.500 394 HG3 GLN 560 1HG GLN 560 -15.528 -2.317 1.018 395 HE21 GLN 560 1HE2 GLN 560 -17.355 -1.154 1.013 396 HE22 GLN 560 2HE2 GLN 560 -18.063 -0.411 2.400
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