NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
513597 | 2laj | 17529 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLN 476 HT1 GLN 476 -7.937 -3.625 4.828 2 HA GLN 476 HA GLN 476 -9.240 -2.564 7.260 3 HB2 GLN 476 HB2 GLN 476 -7.624 -1.182 5.129 4 HB3 GLN 476 HB1 GLN 476 -8.755 -0.325 6.165 5 HG2 GLN 476 HG2 GLN 476 -6.726 -0.018 7.228 6 HG3 GLN 476 HG1 GLN 476 -7.440 -1.370 8.109 7 HE21 GLN 476 HE21 GLN 476 -4.963 -0.360 5.933 8 HE22 GLN 476 HE22 GLN 476 -4.028 -1.819 5.988 9 H SER 477 HN SER 477 -10.555 -0.575 6.265 10 HA SER 477 HA SER 477 -12.815 -1.839 5.177 11 HB2 SER 477 HB2 SER 477 -13.663 0.582 5.045 12 HB3 SER 477 HB1 SER 477 -13.222 -0.049 6.634 13 HG SER 477 HG SER 477 -11.795 1.480 6.760 14 H PHE 478 HN PHE 478 -10.311 0.154 3.629 15 HA PHE 478 HA PHE 478 -11.842 0.500 1.138 16 HB2 PHE 478 HB2 PHE 478 -8.940 0.276 0.771 17 HB3 PHE 478 HB1 PHE 478 -9.986 1.582 0.261 18 HD1 PHE 478 HD1 PHE 478 -10.658 2.183 3.403 19 HD2 PHE 478 HD2 PHE 478 -7.182 1.723 0.963 20 HE1 PHE 478 HE1 PHE 478 -9.260 3.287 5.113 21 HE2 PHE 478 HE2 PHE 478 -5.855 2.832 2.622 22 HZ PHE 478 HZ PHE 478 -6.848 3.517 4.673 23 H LEU 479 HN LEU 479 -9.650 -1.649 2.787 24 HA LEU 479 HA LEU 479 -8.233 -2.177 0.297 25 HB2 LEU 479 HB2 LEU 479 -7.554 -0.050 1.418 26 HB3 LEU 479 HB1 LEU 479 -7.016 -0.909 2.839 27 HG LEU 479 HG LEU 479 -5.502 -2.124 0.937 28 HD11 LEU 479 HD11 LEU 479 -4.952 -0.693 -0.822 29 HD12 LEU 479 HD12 LEU 479 -5.723 0.689 -0.047 30 HD13 LEU 479 HD13 LEU 479 -6.714 -0.602 -0.738 31 HD21 LEU 479 HD21 LEU 479 -4.875 0.608 2.051 32 HD22 LEU 479 HD22 LEU 479 -3.718 -0.613 1.491 33 HD23 LEU 479 HD23 LEU 479 -4.690 -0.906 2.939 34 HA PRO 480 HA PRO 480 -8.096 -6.306 1.627 35 HB2 PRO 480 HB2 PRO 480 -5.398 -6.648 0.654 36 HB3 PRO 480 HB1 PRO 480 -6.776 -7.286 0.029 37 HG2 PRO 480 HG2 PRO 480 -5.409 -5.350 -1.215 38 HG3 PRO 480 HG1 PRO 480 -7.129 -5.660 -1.481 39 HD2 PRO 480 HD2 PRO 480 -5.813 -3.473 -0.023 40 HD3 PRO 480 HD1 PRO 480 -7.421 -3.543 -0.763 41 HA PRO 481 HA PRO 481 -5.509 -6.974 5.261 42 HB2 PRO 481 HB2 PRO 481 -5.236 -9.811 4.717 43 HB3 PRO 481 HB1 PRO 481 -6.249 -9.010 5.916 44 HG2 PRO 481 HG2 PRO 481 -7.254 -10.319 3.758 45 HG3 PRO 481 HG1 PRO 481 -8.068 -8.943 4.527 46 HD2 PRO 481 HD2 PRO 481 -6.371 -9.003 2.055 47 HD3 PRO 481 HD1 PRO 481 -7.907 -8.156 2.346 48 H GLY 482 HN GLY 482 -4.012 -6.253 2.874 49 HA2 GLY 482 HA2 GLY 482 -1.482 -7.735 3.359 50 HA3 GLY 482 HA1 GLY 482 -1.910 -7.015 1.775 51 H TRP 483 HN TRP 483 -2.958 -5.042 4.359 52 HA TRP 483 HA TRP 483 -1.183 -3.314 2.815 53 HB2 TRP 483 HB2 TRP 483 -4.180 -3.199 2.967 54 HB3 TRP 483 HB1 TRP 483 -3.150 -2.031 2.124 55 HD1 TRP 483 HD1 TRP 483 -4.691 -5.429 1.657 56 HE1 TRP 483 HE1 TRP 483 -3.838 -6.467 -0.526 57 HE3 TRP 483 HE3 TRP 483 -1.122 -2.087 0.460 58 HZ2 TRP 483 HZ2 TRP 483 -2.133 -6.002 -2.370 59 HZ3 TRP 483 HZ3 TRP 483 0.100 -2.512 -1.566 60 HH2 TRP 483 HH2 TRP 483 -0.373 -4.372 -3.021 61 H GLU 484 HN GLU 484 -0.768 -1.412 3.373 62 HA GLU 484 HA GLU 484 -1.792 -0.294 5.894 63 HB2 GLU 484 HB2 GLU 484 0.484 -1.333 6.214 64 HB3 GLU 484 HB1 GLU 484 1.106 -0.249 5.001 65 HG2 GLU 484 HG2 GLU 484 1.504 0.291 7.432 66 HG3 GLU 484 HG1 GLU 484 0.962 1.590 6.377 67 H MET 485 HN MET 485 -2.807 1.531 5.290 68 HA MET 485 HA MET 485 -2.040 2.828 2.798 69 HB2 MET 485 HB2 MET 485 -4.438 2.420 3.358 70 HB3 MET 485 HB1 MET 485 -4.273 3.543 4.700 71 HG2 MET 485 HG2 MET 485 -3.683 4.352 1.870 72 HG3 MET 485 HG1 MET 485 -5.308 4.413 2.540 73 HE1 MET 485 HE1 MET 485 -5.476 6.977 1.932 74 HE2 MET 485 HE2 MET 485 -3.852 6.915 1.247 75 HE3 MET 485 HE3 MET 485 -4.273 8.179 2.403 76 H ARG 486 HN ARG 486 -0.289 4.040 3.047 77 HA ARG 486 HA ARG 486 -0.348 5.994 5.239 78 HB2 ARG 486 HB2 ARG 486 2.114 4.848 3.917 79 HB3 ARG 486 HB1 ARG 486 2.083 5.993 5.245 80 HG2 ARG 486 HG2 ARG 486 1.028 3.179 5.345 81 HG3 ARG 486 HG1 ARG 486 2.586 3.713 5.973 82 HD2 ARG 486 HD2 ARG 486 -0.042 4.873 6.872 83 HD3 ARG 486 HD1 ARG 486 0.719 3.493 7.663 84 HE ARG 486 HE ARG 486 2.685 5.339 7.676 85 HH11 ARG 486 HH11 ARG 486 -0.682 5.459 8.664 86 HH12 ARG 486 HH12 ARG 486 -0.382 6.603 9.937 87 HH21 ARG 486 HH21 ARG 486 3.089 6.782 9.354 88 HH22 ARG 486 HH22 ARG 486 1.757 7.367 10.332 89 H ILE 487 HN ILE 487 -0.985 7.818 4.399 90 HA ILE 487 HA ILE 487 0.073 8.787 1.863 91 HB ILE 487 HB ILE 487 -2.154 9.291 2.103 92 HG12 ILE 487 HG12 ILE 487 -0.397 11.693 2.738 93 HG13 ILE 487 HG11 ILE 487 -1.007 11.151 1.179 94 HG21 ILE 487 HG21 ILE 487 -2.422 8.798 4.420 95 HG22 ILE 487 HG22 ILE 487 -3.120 10.386 4.078 96 HG23 ILE 487 HG23 ILE 487 -1.554 10.265 4.882 97 HD11 ILE 487 HD11 ILE 487 -3.265 11.766 1.797 98 HD12 ILE 487 HD12 ILE 487 -2.168 13.141 1.941 99 HD13 ILE 487 HD13 ILE 487 -2.701 12.282 3.387 100 H ALA 488 HN ALA 488 1.851 9.788 1.731 101 HA ALA 488 HA ALA 488 3.365 9.967 4.165 102 HB1 ALA 488 HB1 ALA 488 4.340 10.352 1.355 103 HB2 ALA 488 HB2 ALA 488 4.174 8.781 2.129 104 HB3 ALA 488 HB3 ALA 488 5.296 9.971 2.787 105 HA PRO 489 HA PRO 489 3.388 14.383 4.553 106 HB2 PRO 489 HB2 PRO 489 6.082 14.800 5.057 107 HB3 PRO 489 HB1 PRO 489 4.869 14.361 6.262 108 HG2 PRO 489 HG2 PRO 489 6.814 12.620 4.806 109 HG3 PRO 489 HG1 PRO 489 6.301 12.559 6.504 110 HD2 PRO 489 HD2 PRO 489 5.336 10.828 4.715 111 HD3 PRO 489 HD1 PRO 489 4.297 11.500 5.991 112 H ASN 490 HN ASN 490 4.832 12.854 1.885 113 HA ASN 490 HA ASN 490 5.626 15.482 0.808 114 HB2 ASN 490 HB2 ASN 490 6.770 14.184 -0.997 115 HB3 ASN 490 HB1 ASN 490 7.426 13.898 0.609 116 HD21 ASN 490 HD21 ASN 490 7.899 12.150 -1.469 117 HD22 ASN 490 HD22 ASN 490 7.110 10.657 -1.103 118 H GLY 491 HN GLY 491 3.161 13.181 0.836 119 HA2 GLY 491 HA2 GLY 491 1.068 13.801 -0.232 120 HA3 GLY 491 HA1 GLY 491 2.002 14.388 -1.605 121 H ARG 492 HN ARG 492 2.658 11.425 0.107 122 HA ARG 492 HA ARG 492 1.966 9.944 -2.342 123 HB2 ARG 492 HB2 ARG 492 4.267 9.488 -0.463 124 HB3 ARG 492 HB1 ARG 492 3.881 8.479 -1.796 125 HG2 ARG 492 HG2 ARG 492 4.106 10.854 -3.055 126 HG3 ARG 492 HG1 ARG 492 5.234 11.022 -1.716 127 HD2 ARG 492 HD2 ARG 492 6.318 8.922 -2.369 128 HD3 ARG 492 HD1 ARG 492 5.250 8.838 -3.768 129 HE ARG 492 HE ARG 492 6.837 11.263 -3.547 130 HH11 ARG 492 HH11 ARG 492 6.551 8.053 -4.905 131 HH12 ARG 492 HH12 ARG 492 7.756 8.318 -6.123 132 HH21 ARG 492 HH21 ARG 492 8.439 11.612 -5.155 133 HH22 ARG 492 HH22 ARG 492 8.827 10.327 -6.266 134 HA PRO 493 HA PRO 493 -0.064 7.279 0.733 135 HB2 PRO 493 HB2 PRO 493 -2.247 7.120 -1.150 136 HB3 PRO 493 HB1 PRO 493 -2.262 7.762 0.497 137 HG2 PRO 493 HG2 PRO 493 -2.572 9.369 -1.615 138 HG3 PRO 493 HG1 PRO 493 -1.692 9.900 -0.188 139 HD2 PRO 493 HD2 PRO 493 -0.561 8.748 -2.747 140 HD3 PRO 493 HD1 PRO 493 -0.131 10.279 -1.933 141 H PHE 494 HN PHE 494 1.222 5.662 0.534 142 HA PHE 494 HA PHE 494 1.430 4.226 -2.003 143 HB2 PHE 494 HB2 PHE 494 2.691 3.186 0.465 144 HB3 PHE 494 HB1 PHE 494 3.384 3.350 -1.118 145 HD1 PHE 494 HD1 PHE 494 2.634 5.007 2.004 146 HD2 PHE 494 HD2 PHE 494 4.874 5.311 -1.604 147 HE1 PHE 494 HE1 PHE 494 3.939 6.726 3.010 148 HE2 PHE 494 HE2 PHE 494 6.181 7.146 -0.581 149 HZ PHE 494 HZ PHE 494 5.746 7.814 1.755 150 H PHE 495 HN PHE 495 -0.129 2.521 -2.152 151 HA PHE 495 HA PHE 495 -1.220 1.503 0.363 152 HB2 PHE 495 HB2 PHE 495 -1.771 0.715 -2.531 153 HB3 PHE 495 HB1 PHE 495 -2.539 -0.035 -1.141 154 HD1 PHE 495 HD2 PHE 495 -2.929 2.527 0.476 155 HD2 PHE 495 HD1 PHE 495 -3.701 1.540 -3.591 156 HE1 PHE 495 HE2 PHE 495 -4.689 4.242 0.394 157 HE2 PHE 495 HE1 PHE 495 -5.458 3.253 -3.677 158 HZ PHE 495 HZ PHE 495 -5.957 4.605 -1.681 159 H TYR 496 HN TYR 496 0.321 0.078 1.359 160 HA TYR 496 HA TYR 496 2.039 -1.460 -0.475 161 HB2 TYR 496 HB2 TYR 496 3.569 -0.166 0.526 162 HB3 TYR 496 HB1 TYR 496 2.629 0.091 1.983 163 HD1 TYR 496 HD2 TYR 496 5.164 -2.028 0.326 164 HD2 TYR 496 HD1 TYR 496 2.859 -1.460 3.860 165 HE1 TYR 496 HE2 TYR 496 6.682 -3.504 1.556 166 HE2 TYR 496 HE1 TYR 496 4.380 -2.936 5.091 167 HH TYR 496 HH TYR 496 7.395 -3.877 3.885 168 H ASP 497 HN ASP 497 2.181 -3.553 -0.428 169 HA ASP 497 HA ASP 497 0.274 -5.078 1.230 170 HB2 ASP 497 HB2 ASP 497 0.429 -5.456 -1.216 171 HB3 ASP 497 HB1 ASP 497 2.112 -5.944 -1.045 172 H HIS 498 HN HIS 498 1.059 -6.705 2.718 173 HA HIS 498 HA HIS 498 3.876 -6.365 3.479 174 HB2 HIS 498 HB2 HIS 498 1.569 -7.465 5.096 175 HB3 HIS 498 HB1 HIS 498 3.213 -7.263 5.682 176 HD1 HIS 498 HD1 HIS 498 1.660 -4.583 3.614 177 HD2 HIS 498 HD2 HIS 498 2.349 -5.399 7.619 178 HE1 HIS 498 HE1 HIS 498 1.067 -2.500 4.808 179 HE2 HIS 498 HE2 HIS 498 1.272 -3.075 7.264 180 H ASN 499 HN ASN 499 1.996 -8.574 1.832 181 HA ASN 499 HA ASN 499 3.484 -10.883 2.845 182 HB2 ASN 499 HB2 ASN 499 1.702 -12.124 2.276 183 HB3 ASN 499 HB1 ASN 499 0.859 -10.612 1.974 184 HD21 ASN 499 HD21 ASN 499 0.670 -9.864 -0.176 185 HD22 ASN 499 HD22 ASN 499 0.826 -10.960 -1.510 186 H THR 500 HN THR 500 3.258 -8.718 0.185 187 HA THR 500 HA THR 500 5.468 -10.146 -1.137 188 HB THR 500 HB THR 500 4.858 -8.662 -3.129 189 HG1 THR 500 HG1 THR 500 2.538 -8.311 -1.494 190 HG21 THR 500 HG21 THR 500 4.355 -11.049 -3.075 191 HG22 THR 500 HG22 THR 500 3.046 -10.157 -3.849 192 HG23 THR 500 HG23 THR 500 2.863 -10.729 -2.191 193 H LYS 501 HN LYS 501 4.734 -7.552 0.804 194 HA LYS 501 HA LYS 501 5.845 -5.713 1.535 195 HB2 LYS 501 HB2 LYS 501 8.213 -7.120 0.308 196 HB3 LYS 501 HB1 LYS 501 8.312 -5.769 1.421 197 HG2 LYS 501 HG2 LYS 501 7.166 -8.487 2.041 198 HG3 LYS 501 HG1 LYS 501 8.732 -7.864 2.572 199 HD2 LYS 501 HD2 LYS 501 7.593 -6.066 3.789 200 HD3 LYS 501 HD1 LYS 501 6.035 -6.709 3.271 201 HE2 LYS 501 HE2 LYS 501 6.499 -7.401 5.536 202 HE3 LYS 501 HE1 LYS 501 6.521 -8.799 4.465 203 HZ1 LYS 501 HZ1 LYS 501 8.352 -8.636 6.168 204 HZ2 LYS 501 HZ2 LYS 501 8.998 -7.371 5.240 205 HZ3 LYS 501 HZ3 LYS 501 8.839 -8.927 4.572 206 H THR 502 HN THR 502 4.580 -5.486 -0.987 207 HA THR 502 HA THR 502 6.493 -3.916 -2.559 208 HB THR 502 HB THR 502 5.343 -5.684 -3.807 209 HG1 THR 502 HG1 THR 502 5.093 -4.416 -5.531 210 HG21 THR 502 HG21 THR 502 2.946 -5.511 -4.299 211 HG22 THR 502 HG22 THR 502 2.813 -4.158 -3.175 212 HG23 THR 502 HG23 THR 502 3.236 -5.763 -2.578 213 H THR 503 HN THR 503 6.414 -1.798 -2.568 214 HA THR 503 HA THR 503 4.108 -0.404 -1.474 215 HB THR 503 HB THR 503 5.728 1.594 -2.286 216 HG1 THR 503 HG1 THR 503 7.865 0.999 -2.135 217 HG21 THR 503 HG21 THR 503 6.730 1.558 0.000 218 HG22 THR 503 HG22 THR 503 5.986 -0.021 0.246 219 HG23 THR 503 HG23 THR 503 4.977 1.401 -0.025 220 H THR 504 HN THR 504 2.473 0.114 -2.805 221 HA THR 504 HA THR 504 3.107 0.647 -5.619 222 HB THR 504 HB THR 504 2.190 -1.735 -5.071 223 HG1 THR 504 HG1 THR 504 2.402 -0.955 -7.185 224 HG21 THR 504 HG21 THR 504 -0.368 -0.139 -5.054 225 HG22 THR 504 HG22 THR 504 0.297 -1.053 -3.700 226 HG23 THR 504 HG23 THR 504 -0.255 -1.896 -5.148 227 H TRP 505 HN TRP 505 1.696 2.111 -6.663 228 HA TRP 505 HA TRP 505 -0.162 3.482 -4.841 229 HB2 TRP 505 HB2 TRP 505 0.419 4.584 -7.553 230 HB3 TRP 505 HB1 TRP 505 0.108 5.430 -6.045 231 HD1 TRP 505 HD1 TRP 505 2.883 3.988 -8.166 232 HE1 TRP 505 HE1 TRP 505 5.154 4.780 -7.277 233 HE3 TRP 505 HE3 TRP 505 1.400 6.132 -3.686 234 HZ2 TRP 505 HZ2 TRP 505 6.177 6.129 -5.060 235 HZ3 TRP 505 HZ3 TRP 505 3.108 7.146 -2.302 236 HH2 TRP 505 HH2 TRP 505 5.440 7.157 -2.955 237 H GLU 506 HN GLU 506 -0.098 1.051 -6.962 238 HA GLU 506 HA GLU 506 -2.449 1.599 -8.539 239 HB2 GLU 506 HB2 GLU 506 -0.883 -0.956 -8.115 240 HB3 GLU 506 HB1 GLU 506 -2.191 -0.759 -9.272 241 HG2 GLU 506 HG2 GLU 506 0.473 0.638 -9.293 242 HG3 GLU 506 HG1 GLU 506 -0.089 -0.607 -10.407 243 H ASP 507 HN ASP 507 -4.440 0.487 -8.363 244 HA ASP 507 HA ASP 507 -5.439 0.315 -5.739 245 HB2 ASP 507 HB2 ASP 507 -6.727 0.772 -7.897 246 HB3 ASP 507 HB1 ASP 507 -6.737 -0.971 -8.138 247 HA PRO 508 HA PRO 508 -3.813 -3.796 -4.894 248 HB2 PRO 508 HB2 PRO 508 -4.424 -3.355 -2.173 249 HB3 PRO 508 HB1 PRO 508 -2.854 -3.182 -2.958 250 HG2 PRO 508 HG2 PRO 508 -4.344 -1.120 -1.891 251 HG3 PRO 508 HG1 PRO 508 -3.045 -0.944 -3.074 252 HD2 PRO 508 HD2 PRO 508 -5.989 -0.914 -3.465 253 HD3 PRO 508 HD1 PRO 508 -4.725 0.035 -4.280 254 H ARG 509 HN ARG 509 -6.869 -2.750 -4.784 255 HA ARG 509 HA ARG 509 -7.857 -4.831 -3.069 256 HB2 ARG 509 HB2 ARG 509 -9.395 -2.741 -4.603 257 HB3 ARG 509 HB1 ARG 509 -9.898 -3.616 -3.152 258 HG2 ARG 509 HG2 ARG 509 -8.061 -2.553 -1.879 259 HG3 ARG 509 HG1 ARG 509 -7.609 -1.673 -3.338 260 HD2 ARG 509 HD2 ARG 509 -10.332 -1.413 -2.094 261 HD3 ARG 509 HD1 ARG 509 -8.978 -0.351 -1.715 262 HE ARG 509 HE ARG 509 -9.233 -0.425 -4.494 263 HH11 ARG 509 HH11 ARG 509 -11.113 0.666 -1.738 264 HH12 ARG 509 HH12 ARG 509 -11.832 1.993 -2.594 265 HH21 ARG 509 HH21 ARG 509 -10.149 1.324 -5.608 266 HH22 ARG 509 HH22 ARG 509 -11.266 2.386 -4.793 267 H LEU 510 HN LEU 510 -6.780 -4.152 -6.043 268 HA LEU 510 HA LEU 510 -8.450 -5.655 -7.624 269 HB2 LEU 510 HB2 LEU 510 -6.845 -5.609 -9.359 270 HB3 LEU 510 HB1 LEU 510 -6.690 -4.097 -8.496 271 HG LEU 510 HG LEU 510 -4.719 -5.260 -7.255 272 HD11 LEU 510 HD11 LEU 510 -5.126 -7.530 -8.067 273 HD12 LEU 510 HD12 LEU 510 -3.543 -6.940 -8.573 274 HD13 LEU 510 HD13 LEU 510 -4.877 -6.984 -9.726 275 HD21 LEU 510 HD21 LEU 510 -3.168 -4.582 -9.005 276 HD22 LEU 510 HD22 LEU 510 -4.465 -3.403 -8.812 277 HD23 LEU 510 HD23 LEU 510 -4.493 -4.529 -10.169 278 H LYS 511 HN LYS 511 -5.947 -6.527 -5.443 279 HA LYS 511 HA LYS 511 -5.535 -9.183 -6.436 280 HB2 LYS 511 HB2 LYS 511 -4.003 -9.514 -4.536 281 HB3 LYS 511 HB1 LYS 511 -3.604 -8.133 -5.535 282 HG2 LYS 511 HG2 LYS 511 -3.252 -7.253 -3.485 283 HG3 LYS 511 HG1 LYS 511 -4.947 -6.831 -3.696 284 HD2 LYS 511 HD2 LYS 511 -4.600 -7.695 -1.475 285 HD3 LYS 511 HD1 LYS 511 -5.574 -8.835 -2.404 286 HE2 LYS 511 HE2 LYS 511 -3.777 -9.913 -1.034 287 HE3 LYS 511 HE1 LYS 511 -3.704 -10.284 -2.753 288 HZ1 LYS 511 HZ1 LYS 511 -1.966 -8.357 -1.277 289 HZ2 LYS 511 HZ2 LYS 511 -1.960 -8.558 -2.962 290 HZ3 LYS 511 HZ3 LYS 511 -1.510 -9.841 -1.959 291 H PHE 512 HN PHE 512 -7.961 -7.887 -4.725 292 HA PHE 512 HA PHE 512 -8.425 -9.211 -2.540 293 HB2 PHE 512 HB2 PHE 512 -10.128 -7.964 -4.423 294 HB3 PHE 512 HB1 PHE 512 -10.955 -9.140 -3.408 295 HD1 PHE 512 HD1 PHE 512 -8.362 -6.429 -2.905 296 HD2 PHE 512 HD2 PHE 512 -12.031 -8.263 -1.639 297 HE1 PHE 512 HE1 PHE 512 -8.592 -4.806 -1.095 298 HE2 PHE 512 HE2 PHE 512 -12.242 -6.607 0.166 299 HZ PHE 512 HZ PHE 512 -10.522 -4.870 0.439 300 HA PRO 513 HA PRO 513 -10.476 -13.057 -4.875 301 HB2 PRO 513 HB2 PRO 513 -8.214 -12.920 -6.817 302 HB3 PRO 513 HB1 PRO 513 -9.891 -13.419 -7.076 303 HG2 PRO 513 HG2 PRO 513 -9.026 -10.999 -7.855 304 HG3 PRO 513 HG1 PRO 513 -10.663 -11.236 -7.211 305 HD2 PRO 513 HD2 PRO 513 -8.275 -10.016 -5.847 306 HD3 PRO 513 HD1 PRO 513 -9.964 -9.643 -5.606 307 H VAL 514 HN VAL 514 -7.399 -12.097 -3.768 308 HA VAL 514 HA VAL 514 -6.069 -14.520 -3.535 309 HB VAL 514 HB VAL 514 -5.017 -12.287 -3.176 310 HG11 VAL 514 HG11 VAL 514 -6.373 -12.403 -0.485 311 HG12 VAL 514 HG12 VAL 514 -6.777 -11.299 -1.797 312 HG13 VAL 514 HG13 VAL 514 -5.205 -11.186 -1.006 313 HG21 VAL 514 HG21 VAL 514 -3.798 -14.265 -2.498 314 HG22 VAL 514 HG22 VAL 514 -4.617 -14.261 -0.936 315 HG23 VAL 514 HG23 VAL 514 -3.512 -12.953 -1.354 316 H HIS 515 HN HIS 515 -8.802 -13.640 -2.229 317 HA HIS 515 HA HIS 515 -8.707 -15.719 -0.156 318 HB2 HIS 515 HB2 HIS 515 -9.951 -12.977 0.110 319 HB3 HIS 515 HB1 HIS 515 -10.375 -14.319 1.164 320 HD1 HIS 515 HD1 HIS 515 -6.885 -14.654 0.532 321 HD2 HIS 515 HD2 HIS 515 -9.191 -12.219 2.989 322 HE1 HIS 515 HE1 HIS 515 -5.305 -13.751 2.261 323 HE2 HIS 515 HE2 HIS 515 -6.779 -12.515 3.889 324 H1 ALA 202 HT1 ALA 202 9.231 5.096 11.339 325 H2 ALA 202 HT2 ALA 202 8.104 5.791 12.393 326 H3 ALA 202 HT3 ALA 202 7.608 5.250 10.863 327 HA ALA 202 HA ALA 202 8.646 3.530 13.044 328 HB1 ALA 202 HB1 ALA 202 5.835 3.831 11.987 329 HB2 ALA 202 HB2 ALA 202 6.418 4.419 13.545 330 HB3 ALA 202 HB3 ALA 202 6.364 2.686 13.220 331 H GLY 203 HN GLY 203 7.313 1.250 12.325 332 HA2 GLY 203 HA2 GLY 203 8.708 0.463 9.907 333 HA3 GLY 203 HA1 GLY 203 7.776 -0.586 10.969 334 H SEP 204 HN SEP 204 6.506 2.380 9.710 335 HA SEP 204 HA SEP 204 4.460 0.939 8.226 336 HB2 SEP 204 HB2 SEP 204 3.952 3.642 7.977 337 HB3 SEP 204 HB1 SEP 204 3.267 2.576 9.208 338 HA PRO 205 HA PRO 205 6.305 1.523 4.263 339 HB2 PRO 205 HB2 PRO 205 3.933 2.068 2.886 340 HB3 PRO 205 HB1 PRO 205 4.638 0.479 3.154 341 HG2 PRO 205 HG2 PRO 205 2.388 1.790 4.566 342 HG3 PRO 205 HG1 PRO 205 2.703 0.078 4.272 343 HD2 PRO 205 HD2 PRO 205 3.056 1.263 6.679 344 HD3 PRO 205 HD1 PRO 205 3.996 -0.141 6.127 345 H ASN 206 HN ASN 206 7.413 3.486 4.546 346 HA ASN 206 HA ASN 206 5.988 5.769 3.372 347 HB2 ASN 206 HB2 ASN 206 6.828 6.010 5.764 348 HB3 ASN 206 HB1 ASN 206 8.446 6.046 5.092 349 HD21 ASN 206 HD21 ASN 206 7.558 7.608 2.720 350 HD22 ASN 206 HD22 ASN 206 7.263 9.206 3.316 351 H LEU 207 HN LEU 207 8.446 3.490 2.996 352 HA LEU 207 HA LEU 207 10.234 4.941 1.387 353 HB2 LEU 207 HB2 LEU 207 10.993 2.750 0.533 354 HB3 LEU 207 HB1 LEU 207 10.944 2.837 2.280 355 HG LEU 207 HG LEU 207 8.700 1.571 0.721 356 HD11 LEU 207 HD11 LEU 207 10.750 0.460 0.034 357 HD12 LEU 207 HD12 LEU 207 9.787 -0.589 1.074 358 HD13 LEU 207 HD13 LEU 207 11.207 0.230 1.722 359 HD21 LEU 207 HD21 LEU 207 8.271 2.097 3.071 360 HD22 LEU 207 HD22 LEU 207 9.709 1.189 3.541 361 HD23 LEU 207 HD23 LEU 207 8.340 0.355 2.807 362 H SEP 208 HN SEP 208 9.364 6.162 -0.166 363 HA SEP 208 HA SEP 208 7.264 5.374 -1.893 364 HB2 SEP 208 HB2 SEP 208 9.379 7.464 -2.407 365 HB3 SEP 208 HB1 SEP 208 7.768 7.415 -3.103 366 HA PRO 209 HA PRO 209 9.712 2.802 -4.716 367 HB2 PRO 209 HB2 PRO 209 7.310 3.144 -6.406 368 HB3 PRO 209 HB1 PRO 209 8.118 1.660 -5.887 369 HG2 PRO 209 HG2 PRO 209 5.764 2.403 -4.853 370 HG3 PRO 209 HG1 PRO 209 6.998 1.605 -3.871 371 HD2 PRO 209 HD2 PRO 209 6.238 4.478 -3.993 372 HD3 PRO 209 HD1 PRO 209 6.677 3.503 -2.574 373 H ASN 210 HN ASN 210 11.221 3.762 -5.920 374 HA ASN 210 HA ASN 210 10.579 6.269 -7.283 375 HB2 ASN 210 HB2 ASN 210 13.137 4.964 -6.425 376 HB3 ASN 210 HB1 ASN 210 13.168 6.157 -7.718 377 HD21 ASN 210 HD21 ASN 210 10.900 6.322 -5.060 378 HD22 ASN 210 HD22 ASN 210 11.587 7.725 -4.312 379 HA PRO 211 HA PRO 211 10.626 3.847 -11.050 380 HB2 PRO 211 HB2 PRO 211 8.673 5.282 -12.260 381 HB3 PRO 211 HB1 PRO 211 8.333 4.062 -11.030 382 HG2 PRO 211 HG2 PRO 211 8.069 6.961 -10.868 383 HG3 PRO 211 HG1 PRO 211 7.451 5.720 -9.768 384 HD2 PRO 211 HD2 PRO 211 9.865 7.360 -9.537 385 HD3 PRO 211 HD1 PRO 211 9.070 6.357 -8.306 Start of MODEL 2 1 H GLN 476 HT1 GLN 476 -6.839 -0.812 7.401 2 HA GLN 476 HA GLN 476 -8.730 0.554 7.051 3 HB2 GLN 476 HB2 GLN 476 -7.239 -0.027 4.493 4 HB3 GLN 476 HB1 GLN 476 -8.298 1.351 4.713 5 HG2 GLN 476 HG2 GLN 476 -6.137 2.173 5.033 6 HG3 GLN 476 HG1 GLN 476 -6.819 2.020 6.648 7 HE21 GLN 476 HE21 GLN 476 -4.753 1.982 7.555 8 HE22 GLN 476 HE22 GLN 476 -3.733 0.579 7.443 9 H SER 477 HN SER 477 -10.536 1.131 5.624 10 HA SER 477 HA SER 477 -12.147 -1.256 5.201 11 HB2 SER 477 HB2 SER 477 -13.041 1.622 5.031 12 HB3 SER 477 HB1 SER 477 -14.037 0.195 5.321 13 HG SER 477 HG SER 477 -12.559 -0.035 7.265 14 H PHE 478 HN PHE 478 -10.356 0.901 3.284 15 HA PHE 478 HA PHE 478 -12.069 1.105 0.929 16 HB2 PHE 478 HB2 PHE 478 -9.159 0.847 0.422 17 HB3 PHE 478 HB1 PHE 478 -10.234 2.140 -0.089 18 HD1 PHE 478 HD1 PHE 478 -11.050 3.191 2.625 19 HD2 PHE 478 HD2 PHE 478 -7.263 1.917 1.044 20 HE1 PHE 478 HE1 PHE 478 -9.848 4.382 4.416 21 HE2 PHE 478 HE2 PHE 478 -6.142 3.108 2.795 22 HZ PHE 478 HZ PHE 478 -7.397 4.241 4.468 23 H LEU 479 HN LEU 479 -9.910 -1.010 2.529 24 HA LEU 479 HA LEU 479 -8.688 -1.835 0.032 25 HB2 LEU 479 HB2 LEU 479 -7.739 0.243 0.555 26 HB3 LEU 479 HB1 LEU 479 -7.557 -0.054 2.284 27 HG LEU 479 HG LEU 479 -5.958 -1.409 0.060 28 HD11 LEU 479 HD11 LEU 479 -5.293 0.946 1.821 29 HD12 LEU 479 HD12 LEU 479 -5.504 0.968 0.068 30 HD13 LEU 479 HD13 LEU 479 -4.148 0.097 0.784 31 HD21 LEU 479 HD21 LEU 479 -6.180 -2.578 2.241 32 HD22 LEU 479 HD22 LEU 479 -5.386 -1.189 2.988 33 HD23 LEU 479 HD23 LEU 479 -4.534 -2.150 1.764 34 HA PRO 480 HA PRO 480 -8.292 -5.892 1.535 35 HB2 PRO 480 HB2 PRO 480 -5.645 -6.368 0.697 36 HB3 PRO 480 HB1 PRO 480 -7.009 -6.663 -0.170 37 HG2 PRO 480 HG2 PRO 480 -5.161 -4.515 -0.497 38 HG3 PRO 480 HG1 PRO 480 -6.370 -5.118 -1.639 39 HD2 PRO 480 HD2 PRO 480 -6.501 -2.730 -0.272 40 HD3 PRO 480 HD1 PRO 480 -7.876 -3.567 -1.009 41 HA PRO 481 HA PRO 481 -5.927 -6.248 5.307 42 HB2 PRO 481 HB2 PRO 481 -5.940 -9.090 5.298 43 HB3 PRO 481 HB1 PRO 481 -7.125 -8.014 6.037 44 HG2 PRO 481 HG2 PRO 481 -7.614 -9.704 3.891 45 HG3 PRO 481 HG1 PRO 481 -8.601 -8.301 4.336 46 HD2 PRO 481 HD2 PRO 481 -6.475 -8.539 2.244 47 HD3 PRO 481 HD1 PRO 481 -8.025 -7.671 2.185 48 H GLY 482 HN GLY 482 -4.212 -6.217 2.846 49 HA2 GLY 482 HA2 GLY 482 -1.940 -7.932 3.688 50 HA3 GLY 482 HA1 GLY 482 -2.140 -7.192 2.062 51 H TRP 483 HN TRP 483 -3.048 -5.084 4.616 52 HA TRP 483 HA TRP 483 -1.068 -3.554 3.126 53 HB2 TRP 483 HB2 TRP 483 -4.037 -3.177 3.043 54 HB3 TRP 483 HB1 TRP 483 -2.839 -2.180 2.216 55 HD1 TRP 483 HD1 TRP 483 -4.719 -5.437 1.801 56 HE1 TRP 483 HE1 TRP 483 -3.919 -6.616 -0.292 57 HE3 TRP 483 HE3 TRP 483 -0.930 -2.410 0.666 58 HZ2 TRP 483 HZ2 TRP 483 -2.048 -6.277 -2.149 59 HZ3 TRP 483 HZ3 TRP 483 0.318 -2.914 -1.285 60 HH2 TRP 483 HH2 TRP 483 -0.216 -4.763 -2.752 61 H GLU 484 HN GLU 484 -0.671 -1.615 3.605 62 HA GLU 484 HA GLU 484 -1.840 -0.446 6.060 63 HB2 GLU 484 HB2 GLU 484 0.455 -1.404 6.443 64 HB3 GLU 484 HB1 GLU 484 1.069 -0.305 5.238 65 HG2 GLU 484 HG2 GLU 484 1.406 0.281 7.644 66 HG3 GLU 484 HG1 GLU 484 0.764 1.545 6.606 67 H MET 485 HN MET 485 -2.811 1.428 5.520 68 HA MET 485 HA MET 485 -2.105 2.677 2.977 69 HB2 MET 485 HB2 MET 485 -4.519 2.393 3.594 70 HB3 MET 485 HB1 MET 485 -4.264 3.536 4.910 71 HG2 MET 485 HG2 MET 485 -3.253 4.898 2.775 72 HG3 MET 485 HG1 MET 485 -4.572 4.006 2.040 73 HE1 MET 485 HE1 MET 485 -5.184 6.908 5.592 74 HE2 MET 485 HE2 MET 485 -3.604 6.593 4.876 75 HE3 MET 485 HE3 MET 485 -4.439 5.319 5.766 76 H ARG 486 HN ARG 486 -0.282 3.844 3.209 77 HA ARG 486 HA ARG 486 -0.310 5.825 5.379 78 HB2 ARG 486 HB2 ARG 486 2.043 4.467 4.075 79 HB3 ARG 486 HB1 ARG 486 2.191 5.857 5.141 80 HG2 ARG 486 HG2 ARG 486 0.877 3.278 5.951 81 HG3 ARG 486 HG1 ARG 486 2.590 3.624 6.205 82 HD2 ARG 486 HD2 ARG 486 0.421 5.442 7.208 83 HD3 ARG 486 HD1 ARG 486 1.002 4.069 8.148 84 HE ARG 486 HE ARG 486 3.303 5.354 7.590 85 HH11 ARG 486 HH11 ARG 486 0.228 6.533 8.822 86 HH12 ARG 486 HH12 ARG 486 0.951 7.784 9.780 87 HH21 ARG 486 HH21 ARG 486 4.249 6.965 8.862 88 HH22 ARG 486 HH22 ARG 486 3.246 8.027 9.812 89 H ILE 487 HN ILE 487 -0.959 7.640 4.581 90 HA ILE 487 HA ILE 487 -0.043 8.598 1.991 91 HB ILE 487 HB ILE 487 -2.254 9.062 2.293 92 HG12 ILE 487 HG12 ILE 487 -0.596 11.518 2.963 93 HG13 ILE 487 HG11 ILE 487 -1.154 10.971 1.388 94 HG21 ILE 487 HG21 ILE 487 -1.623 10.004 5.077 95 HG22 ILE 487 HG22 ILE 487 -2.471 8.529 4.599 96 HG23 ILE 487 HG23 ILE 487 -3.206 10.108 4.302 97 HD11 ILE 487 HD11 ILE 487 -3.442 11.483 1.969 98 HD12 ILE 487 HD12 ILE 487 -2.412 12.901 2.183 99 HD13 ILE 487 HD13 ILE 487 -2.940 11.972 3.587 100 H ALA 488 HN ALA 488 1.711 9.628 1.767 101 HA ALA 488 HA ALA 488 3.335 9.902 4.123 102 HB1 ALA 488 HB1 ALA 488 4.077 10.093 1.218 103 HB2 ALA 488 HB2 ALA 488 4.190 8.655 2.232 104 HB3 ALA 488 HB3 ALA 488 5.202 10.056 2.574 105 HA PRO 489 HA PRO 489 3.318 14.342 4.412 106 HB2 PRO 489 HB2 PRO 489 6.287 14.152 4.521 107 HB3 PRO 489 HB1 PRO 489 5.163 14.943 5.633 108 HG2 PRO 489 HG2 PRO 489 6.292 12.635 6.287 109 HG3 PRO 489 HG1 PRO 489 4.592 12.953 6.680 110 HD2 PRO 489 HD2 PRO 489 5.751 11.270 4.496 111 HD3 PRO 489 HD1 PRO 489 4.319 10.979 5.504 112 H ASN 490 HN ASN 490 4.586 12.786 1.661 113 HA ASN 490 HA ASN 490 5.173 15.402 0.419 114 HB2 ASN 490 HB2 ASN 490 5.908 13.890 -1.543 115 HB3 ASN 490 HB1 ASN 490 6.943 13.931 -0.116 116 HD21 ASN 490 HD21 ASN 490 7.629 11.810 -1.186 117 HD22 ASN 490 HD22 ASN 490 6.783 10.414 -0.638 118 H GLY 491 HN GLY 491 2.791 13.052 0.819 119 HA2 GLY 491 HA2 GLY 491 0.562 13.511 -0.013 120 HA3 GLY 491 HA1 GLY 491 1.293 14.109 -1.499 121 H ARG 492 HN ARG 492 2.745 11.347 -0.149 122 HA ARG 492 HA ARG 492 1.724 9.739 -2.375 123 HB2 ARG 492 HB2 ARG 492 4.115 9.340 -0.585 124 HB3 ARG 492 HB1 ARG 492 3.694 8.316 -1.909 125 HG2 ARG 492 HG2 ARG 492 3.845 10.621 -3.232 126 HG3 ARG 492 HG1 ARG 492 4.919 10.949 -1.875 127 HD2 ARG 492 HD2 ARG 492 6.220 8.964 -2.388 128 HD3 ARG 492 HD1 ARG 492 5.175 8.647 -3.773 129 HE ARG 492 HE ARG 492 6.222 11.240 -4.013 130 HH11 ARG 492 HH11 ARG 492 7.263 7.916 -4.148 131 HH12 ARG 492 HH12 ARG 492 8.604 8.227 -5.195 132 HH21 ARG 492 HH21 ARG 492 7.978 11.674 -5.451 133 HH22 ARG 492 HH22 ARG 492 9.016 10.360 -5.935 134 HA PRO 493 HA PRO 493 -0.120 7.095 0.839 135 HB2 PRO 493 HB2 PRO 493 -2.377 6.836 -0.939 136 HB3 PRO 493 HB1 PRO 493 -2.334 7.521 0.688 137 HG2 PRO 493 HG2 PRO 493 -2.772 9.066 -1.440 138 HG3 PRO 493 HG1 PRO 493 -1.827 9.649 -0.076 139 HD2 PRO 493 HD2 PRO 493 -0.805 8.429 -2.649 140 HD3 PRO 493 HD1 PRO 493 -0.370 10.000 -1.919 141 H PHE 494 HN PHE 494 1.184 5.495 0.637 142 HA PHE 494 HA PHE 494 1.391 4.009 -1.854 143 HB2 PHE 494 HB2 PHE 494 2.613 3.038 0.652 144 HB3 PHE 494 HB1 PHE 494 3.332 3.155 -0.922 145 HD1 PHE 494 HD1 PHE 494 2.668 4.812 2.216 146 HD2 PHE 494 HD2 PHE 494 4.638 5.216 -1.529 147 HE1 PHE 494 HE1 PHE 494 3.948 6.598 3.121 148 HE2 PHE 494 HE2 PHE 494 5.906 7.122 -0.605 149 HZ PHE 494 HZ PHE 494 5.598 7.777 1.746 150 H PHE 495 HN PHE 495 -0.076 2.255 -2.034 151 HA PHE 495 HA PHE 495 -1.322 1.299 0.436 152 HB2 PHE 495 HB2 PHE 495 -1.664 0.327 -2.435 153 HB3 PHE 495 HB1 PHE 495 -2.641 -0.160 -1.051 154 HD1 PHE 495 HD1 PHE 495 -3.180 2.329 0.312 155 HD2 PHE 495 HD2 PHE 495 -3.044 1.501 -3.853 156 HE1 PHE 495 HE1 PHE 495 -4.695 4.219 -0.105 157 HE2 PHE 495 HE2 PHE 495 -4.555 3.393 -4.282 158 HZ PHE 495 HZ PHE 495 -5.385 4.753 -2.403 159 H TYR 496 HN TYR 496 0.228 -0.064 1.572 160 HA TYR 496 HA TYR 496 2.029 -1.623 -0.163 161 HB2 TYR 496 HB2 TYR 496 3.504 -0.258 0.845 162 HB3 TYR 496 HB1 TYR 496 2.541 -0.030 2.297 163 HD1 TYR 496 HD2 TYR 496 5.021 -2.199 0.597 164 HD2 TYR 496 HD1 TYR 496 2.863 -1.514 4.200 165 HE1 TYR 496 HE2 TYR 496 6.526 -3.726 1.790 166 HE2 TYR 496 HE1 TYR 496 4.365 -3.044 5.390 167 HH TYR 496 HH TYR 496 7.288 -3.986 4.258 168 H ASP 497 HN ASP 497 2.263 -3.705 -0.039 169 HA ASP 497 HA ASP 497 0.278 -5.262 1.502 170 HB2 ASP 497 HB2 ASP 497 0.641 -5.682 -0.908 171 HB3 ASP 497 HB1 ASP 497 2.329 -6.090 -0.610 172 H HIS 498 HN HIS 498 1.044 -6.880 3.060 173 HA HIS 498 HA HIS 498 3.826 -6.486 3.939 174 HB2 HIS 498 HB2 HIS 498 1.440 -7.559 5.459 175 HB3 HIS 498 HB1 HIS 498 3.064 -7.398 6.119 176 HD1 HIS 498 HD1 HIS 498 1.317 -4.828 3.999 177 HD2 HIS 498 HD2 HIS 498 2.567 -5.352 7.917 178 HE1 HIS 498 HE1 HIS 498 0.955 -2.645 5.078 179 HE2 HIS 498 HE2 HIS 498 1.903 -2.900 7.419 180 H ASN 499 HN ASN 499 2.186 -8.629 2.097 181 HA ASN 499 HA ASN 499 3.428 -11.024 3.227 182 HB2 ASN 499 HB2 ASN 499 1.482 -10.614 0.952 183 HB3 ASN 499 HB1 ASN 499 2.261 -12.160 1.255 184 HD21 ASN 499 HD21 ASN 499 1.255 -9.973 3.805 185 HD22 ASN 499 HD22 ASN 499 -0.008 -10.980 4.416 186 H THR 500 HN THR 500 3.335 -9.220 0.171 187 HA THR 500 HA THR 500 5.874 -10.474 -0.619 188 HB THR 500 HB THR 500 4.199 -8.625 -2.324 189 HG1 THR 500 HG1 THR 500 3.467 -11.015 -1.379 190 HG21 THR 500 HG21 THR 500 6.128 -10.856 -2.996 191 HG22 THR 500 HG22 THR 500 6.450 -9.128 -3.144 192 HG23 THR 500 HG23 THR 500 5.231 -9.889 -4.166 193 H LYS 501 HN LYS 501 4.947 -7.929 1.161 194 HA LYS 501 HA LYS 501 5.841 -5.942 1.818 195 HB2 LYS 501 HB2 LYS 501 8.335 -7.100 0.559 196 HB3 LYS 501 HB1 LYS 501 8.306 -5.656 1.554 197 HG2 LYS 501 HG2 LYS 501 9.015 -7.348 2.993 198 HG3 LYS 501 HG1 LYS 501 7.309 -7.126 3.380 199 HD2 LYS 501 HD2 LYS 501 6.779 -9.047 1.903 200 HD3 LYS 501 HD1 LYS 501 8.509 -9.300 1.670 201 HE2 LYS 501 HE2 LYS 501 8.782 -9.660 4.067 202 HE3 LYS 501 HE1 LYS 501 7.056 -9.393 4.309 203 HZ1 LYS 501 HZ1 LYS 501 8.273 -11.581 2.714 204 HZ2 LYS 501 HZ2 LYS 501 6.609 -11.320 2.907 205 HZ3 LYS 501 HZ3 LYS 501 7.564 -11.744 4.245 206 H THR 502 HN THR 502 4.422 -5.864 -0.537 207 HA THR 502 HA THR 502 6.028 -4.482 -2.535 208 HB THR 502 HB THR 502 3.122 -5.315 -2.654 209 HG1 THR 502 HG1 THR 502 5.443 -6.732 -2.875 210 HG21 THR 502 HG21 THR 502 3.692 -3.536 -4.239 211 HG22 THR 502 HG22 THR 502 3.402 -5.060 -5.080 212 HG23 THR 502 HG23 THR 502 5.052 -4.490 -4.828 213 H THR 503 HN THR 503 6.253 -2.345 -2.319 214 HA THR 503 HA THR 503 4.074 -0.714 -1.295 215 HB THR 503 HB THR 503 5.747 1.169 -1.978 216 HG1 THR 503 HG1 THR 503 7.301 0.236 -3.141 217 HG21 THR 503 HG21 THR 503 7.059 0.848 0.079 218 HG22 THR 503 HG22 THR 503 6.450 -0.801 0.199 219 HG23 THR 503 HG23 THR 503 5.339 0.561 0.339 220 H THR 504 HN THR 504 2.516 0.029 -2.643 221 HA THR 504 HA THR 504 3.194 0.419 -5.466 222 HB THR 504 HB THR 504 2.169 -1.892 -4.979 223 HG1 THR 504 HG1 THR 504 1.275 -1.847 -6.987 224 HG21 THR 504 HG21 THR 504 -0.325 -0.216 -4.754 225 HG22 THR 504 HG22 THR 504 0.397 -1.185 -3.469 226 HG23 THR 504 HG23 THR 504 -0.274 -1.974 -4.897 227 H TRP 505 HN TRP 505 1.908 1.934 -6.548 228 HA TRP 505 HA TRP 505 0.175 3.555 -4.824 229 HB2 TRP 505 HB2 TRP 505 0.822 4.213 -7.678 230 HB3 TRP 505 HB1 TRP 505 0.375 5.300 -6.374 231 HD1 TRP 505 HD1 TRP 505 3.282 4.048 -8.264 232 HE1 TRP 505 HE1 TRP 505 5.469 4.926 -7.241 233 HE3 TRP 505 HE3 TRP 505 1.493 5.734 -3.724 234 HZ2 TRP 505 HZ2 TRP 505 6.315 6.187 -4.886 235 HZ3 TRP 505 HZ3 TRP 505 3.066 6.772 -2.200 236 HH2 TRP 505 HH2 TRP 505 5.421 6.998 -2.749 237 H GLU 506 HN GLU 506 0.172 1.159 -7.196 238 HA GLU 506 HA GLU 506 -2.339 1.744 -8.425 239 HB2 GLU 506 HB2 GLU 506 -0.738 -0.818 -8.343 240 HB3 GLU 506 HB1 GLU 506 -2.126 -0.523 -9.383 241 HG2 GLU 506 HG2 GLU 506 -0.864 1.371 -10.401 242 HG3 GLU 506 HG1 GLU 506 0.538 0.866 -9.459 243 H ASP 507 HN ASP 507 -4.276 0.584 -8.163 244 HA ASP 507 HA ASP 507 -5.051 0.351 -5.484 245 HB2 ASP 507 HB2 ASP 507 -6.585 0.932 -7.336 246 HB3 ASP 507 HB1 ASP 507 -6.469 -0.721 -7.931 247 HA PRO 508 HA PRO 508 -3.420 -3.728 -4.652 248 HB2 PRO 508 HB2 PRO 508 -3.771 -3.599 -2.047 249 HB3 PRO 508 HB1 PRO 508 -2.606 -2.509 -2.812 250 HG2 PRO 508 HG2 PRO 508 -5.473 -1.977 -2.076 251 HG3 PRO 508 HG1 PRO 508 -4.038 -1.050 -1.651 252 HD2 PRO 508 HD2 PRO 508 -5.566 -0.341 -3.717 253 HD3 PRO 508 HD1 PRO 508 -3.799 -0.160 -3.765 254 H ARG 509 HN ARG 509 -6.500 -2.715 -4.711 255 HA ARG 509 HA ARG 509 -7.574 -4.858 -3.146 256 HB2 ARG 509 HB2 ARG 509 -9.122 -2.785 -4.671 257 HB3 ARG 509 HB1 ARG 509 -9.592 -3.661 -3.215 258 HG2 ARG 509 HG2 ARG 509 -7.777 -2.460 -1.947 259 HG3 ARG 509 HG1 ARG 509 -7.471 -1.532 -3.430 260 HD2 ARG 509 HD2 ARG 509 -10.084 -1.557 -1.931 261 HD3 ARG 509 HD1 ARG 509 -8.884 -0.268 -1.905 262 HE ARG 509 HE ARG 509 -9.304 -0.237 -4.440 263 HH11 ARG 509 HH11 ARG 509 -11.734 -0.885 -1.989 264 HH12 ARG 509 HH12 ARG 509 -13.054 -0.346 -2.977 265 HH21 ARG 509 HH21 ARG 509 -11.027 0.466 -5.733 266 HH22 ARG 509 HH22 ARG 509 -12.653 0.431 -5.120 267 H LEU 510 HN LEU 510 -6.312 -4.015 -6.043 268 HA LEU 510 HA LEU 510 -7.835 -5.571 -7.735 269 HB2 LEU 510 HB2 LEU 510 -6.156 -5.378 -9.381 270 HB3 LEU 510 HB1 LEU 510 -6.074 -3.894 -8.458 271 HG LEU 510 HG LEU 510 -4.161 -5.134 -7.147 272 HD11 LEU 510 HD11 LEU 510 -4.130 -6.620 -9.771 273 HD12 LEU 510 HD12 LEU 510 -4.455 -7.318 -8.182 274 HD13 LEU 510 HD13 LEU 510 -2.862 -6.656 -8.544 275 HD21 LEU 510 HD21 LEU 510 -3.842 -3.130 -8.493 276 HD22 LEU 510 HD22 LEU 510 -3.754 -4.115 -9.954 277 HD23 LEU 510 HD23 LEU 510 -2.510 -4.265 -8.710 278 H LYS 511 HN LYS 511 -5.628 -6.207 -5.332 279 HA LYS 511 HA LYS 511 -4.616 -8.757 -6.115 280 HB2 LYS 511 HB2 LYS 511 -3.210 -7.341 -4.837 281 HB3 LYS 511 HB1 LYS 511 -4.452 -7.052 -3.638 282 HG2 LYS 511 HG2 LYS 511 -3.648 -9.848 -3.855 283 HG3 LYS 511 HG1 LYS 511 -2.350 -8.754 -3.374 284 HD2 LYS 511 HD2 LYS 511 -3.992 -7.816 -1.644 285 HD3 LYS 511 HD1 LYS 511 -5.002 -9.211 -2.032 286 HE2 LYS 511 HE2 LYS 511 -3.463 -9.496 -0.045 287 HE3 LYS 511 HE1 LYS 511 -3.403 -10.757 -1.271 288 HZ1 LYS 511 HZ1 LYS 511 -1.192 -10.265 -0.672 289 HZ2 LYS 511 HZ2 LYS 511 -1.415 -8.594 -0.797 290 HZ3 LYS 511 HZ3 LYS 511 -1.411 -9.560 -2.194 291 H PHE 512 HN PHE 512 -7.545 -7.782 -4.940 292 HA PHE 512 HA PHE 512 -8.198 -9.327 -2.938 293 HB2 PHE 512 HB2 PHE 512 -9.807 -8.108 -4.964 294 HB3 PHE 512 HB1 PHE 512 -10.606 -9.296 -3.932 295 HD1 PHE 512 HD1 PHE 512 -7.911 -6.776 -3.177 296 HD2 PHE 512 HD2 PHE 512 -11.922 -8.136 -2.459 297 HE1 PHE 512 HE1 PHE 512 -8.164 -5.169 -1.376 298 HE2 PHE 512 HE2 PHE 512 -12.162 -6.476 -0.660 299 HZ PHE 512 HZ PHE 512 -10.280 -4.986 -0.115 300 HA PRO 513 HA PRO 513 -9.488 -13.088 -5.839 301 HB2 PRO 513 HB2 PRO 513 -6.918 -12.641 -7.299 302 HB3 PRO 513 HB1 PRO 513 -8.469 -13.243 -7.903 303 HG2 PRO 513 HG2 PRO 513 -7.693 -10.713 -8.364 304 HG3 PRO 513 HG1 PRO 513 -9.393 -11.114 -8.047 305 HD2 PRO 513 HD2 PRO 513 -7.389 -9.846 -6.197 306 HD3 PRO 513 HD1 PRO 513 -9.118 -9.591 -6.257 307 H VAL 514 HN VAL 514 -6.783 -11.973 -4.111 308 HA VAL 514 HA VAL 514 -5.261 -14.237 -3.743 309 HB VAL 514 HB VAL 514 -4.652 -11.922 -3.013 310 HG11 VAL 514 HG11 VAL 514 -5.345 -11.090 -0.848 311 HG12 VAL 514 HG12 VAL 514 -6.363 -12.516 -0.609 312 HG13 VAL 514 HG13 VAL 514 -6.750 -11.362 -1.884 313 HG21 VAL 514 HG21 VAL 514 -4.333 -14.085 -0.942 314 HG22 VAL 514 HG22 VAL 514 -3.369 -12.610 -1.042 315 HG23 VAL 514 HG23 VAL 514 -3.290 -13.806 -2.335 316 H HIS 515 HN HIS 515 -8.302 -13.854 -3.000 317 HA HIS 515 HA HIS 515 -8.330 -15.768 -0.763 318 HB2 HIS 515 HB2 HIS 515 -10.593 -13.997 -1.726 319 HB3 HIS 515 HB1 HIS 515 -10.632 -15.059 -0.321 320 HD1 HIS 515 HD1 HIS 515 -9.899 -11.667 -1.325 321 HD2 HIS 515 HD2 HIS 515 -8.724 -14.199 1.756 322 HE1 HIS 515 HE1 HIS 515 -8.807 -10.187 0.392 323 HE2 HIS 515 HE2 HIS 515 -7.952 -11.762 2.164 324 H1 ALA 202 HT1 ALA 202 8.951 5.339 10.898 325 H2 ALA 202 HT2 ALA 202 7.775 4.195 11.318 326 H3 ALA 202 HT3 ALA 202 8.151 4.458 9.686 327 HA ALA 202 HA ALA 202 10.370 3.611 10.020 328 HB1 ALA 202 HB1 ALA 202 9.460 3.056 12.841 329 HB2 ALA 202 HB2 ALA 202 10.608 4.306 12.357 330 HB3 ALA 202 HB3 ALA 202 11.012 2.604 12.135 331 H GLY 203 HN GLY 203 7.584 2.175 11.755 332 HA2 GLY 203 HA2 GLY 203 8.113 -0.371 10.376 333 HA3 GLY 203 HA1 GLY 203 7.100 -0.159 11.797 334 H SEP 204 HN SEP 204 6.785 2.092 9.254 335 HA SEP 204 HA SEP 204 4.350 0.773 8.255 336 HB2 SEP 204 HB2 SEP 204 3.738 3.373 7.961 337 HB3 SEP 204 HB1 SEP 204 3.344 2.462 9.418 338 HA PRO 205 HA PRO 205 5.987 1.401 4.179 339 HB2 PRO 205 HB2 PRO 205 3.565 2.275 3.033 340 HB3 PRO 205 HB1 PRO 205 4.196 0.635 3.056 341 HG2 PRO 205 HG2 PRO 205 2.088 1.827 4.717 342 HG3 PRO 205 HG1 PRO 205 2.390 0.140 4.300 343 HD2 PRO 205 HD2 PRO 205 2.877 1.231 6.753 344 HD3 PRO 205 HD1 PRO 205 3.708 -0.202 6.106 345 H ASN 206 HN ASN 206 7.263 3.266 4.618 346 HA ASN 206 HA ASN 206 6.015 5.679 3.505 347 HB2 ASN 206 HB2 ASN 206 6.721 6.078 5.782 348 HB3 ASN 206 HB1 ASN 206 8.354 5.538 5.413 349 HD21 ASN 206 HD21 ASN 206 6.262 7.613 3.457 350 HD22 ASN 206 HD22 ASN 206 7.266 9.016 3.552 351 H LEU 207 HN LEU 207 8.288 3.249 3.055 352 HA LEU 207 HA LEU 207 10.123 4.561 1.368 353 HB2 LEU 207 HB2 LEU 207 10.694 2.307 0.533 354 HB3 LEU 207 HB1 LEU 207 10.713 2.423 2.278 355 HG LEU 207 HG LEU 207 8.334 1.295 0.816 356 HD11 LEU 207 HD11 LEU 207 9.275 -0.926 1.181 357 HD12 LEU 207 HD12 LEU 207 10.765 -0.201 1.786 358 HD13 LEU 207 HD13 LEU 207 10.293 0.029 0.103 359 HD21 LEU 207 HD21 LEU 207 8.031 1.897 3.173 360 HD22 LEU 207 HD22 LEU 207 9.411 0.887 3.608 361 HD23 LEU 207 HD23 LEU 207 7.955 0.151 2.938 362 H SEP 208 HN SEP 208 9.532 5.663 -0.339 363 HA SEP 208 HA SEP 208 7.138 5.050 -1.814 364 HB2 SEP 208 HB2 SEP 208 9.237 7.182 -2.272 365 HB3 SEP 208 HB1 SEP 208 7.654 7.140 -3.026 366 HA PRO 209 HA PRO 209 9.183 2.407 -4.891 367 HB2 PRO 209 HB2 PRO 209 6.662 3.171 -6.285 368 HB3 PRO 209 HB1 PRO 209 7.401 1.578 -6.090 369 HG2 PRO 209 HG2 PRO 209 5.270 2.285 -4.661 370 HG3 PRO 209 HG1 PRO 209 6.568 1.312 -3.953 371 HD2 PRO 209 HD2 PRO 209 5.925 4.179 -3.575 372 HD3 PRO 209 HD1 PRO 209 6.586 3.021 -2.408 373 H ASN 210 HN ASN 210 10.271 2.873 -6.770 374 HA ASN 210 HA ASN 210 10.582 5.687 -7.370 375 HB2 ASN 210 HB2 ASN 210 12.472 3.965 -7.201 376 HB3 ASN 210 HB1 ASN 210 11.926 3.363 -8.759 377 HD21 ASN 210 HD21 ASN 210 11.278 5.969 -9.857 378 HD22 ASN 210 HD22 ASN 210 12.788 6.767 -10.147 379 HA PRO 211 HA PRO 211 7.765 5.176 -10.821 380 HB2 PRO 211 HB2 PRO 211 7.335 7.930 -11.010 381 HB3 PRO 211 HB1 PRO 211 6.375 6.797 -10.058 382 HG2 PRO 211 HG2 PRO 211 8.056 8.873 -9.099 383 HG3 PRO 211 HG1 PRO 211 7.191 7.659 -8.143 384 HD2 PRO 211 HD2 PRO 211 10.035 7.745 -8.952 385 HD3 PRO 211 HD1 PRO 211 9.274 6.937 -7.566 Start of MODEL 3 1 H GLN 476 HT1 GLN 476 -8.646 -4.172 6.097 2 HA GLN 476 HA GLN 476 -8.459 -1.923 6.849 3 HB2 GLN 476 HB2 GLN 476 -7.549 -1.316 4.026 4 HB3 GLN 476 HB1 GLN 476 -7.854 -0.133 5.290 5 HG2 GLN 476 HG2 GLN 476 -5.737 -2.251 5.336 6 HG3 GLN 476 HG1 GLN 476 -5.476 -0.548 4.984 7 HE21 GLN 476 HE21 GLN 476 -7.378 0.339 7.032 8 HE22 GLN 476 HE22 GLN 476 -6.593 0.075 8.550 9 H SER 477 HN SER 477 -9.763 -0.002 5.728 10 HA SER 477 HA SER 477 -12.337 -1.190 5.292 11 HB2 SER 477 HB2 SER 477 -13.087 1.233 5.229 12 HB3 SER 477 HB1 SER 477 -12.295 0.705 6.715 13 HG SER 477 HG SER 477 -11.620 2.791 5.627 14 H PHE 478 HN PHE 478 -10.007 0.527 3.276 15 HA PHE 478 HA PHE 478 -11.859 0.788 0.987 16 HB2 PHE 478 HB2 PHE 478 -8.982 0.599 0.375 17 HB3 PHE 478 HB1 PHE 478 -10.101 1.867 -0.093 18 HD1 PHE 478 HD1 PHE 478 -10.755 2.892 2.759 19 HD2 PHE 478 HD2 PHE 478 -7.164 1.707 0.790 20 HE1 PHE 478 HE1 PHE 478 -9.379 4.029 4.471 21 HE2 PHE 478 HE2 PHE 478 -5.859 2.834 2.436 22 HZ PHE 478 HZ PHE 478 -6.925 3.893 4.264 23 H LEU 479 HN LEU 479 -9.667 -1.399 2.542 24 HA LEU 479 HA LEU 479 -8.300 -1.984 0.037 25 HB2 LEU 479 HB2 LEU 479 -7.548 0.142 1.011 26 HB3 LEU 479 HB1 LEU 479 -7.099 -0.587 2.532 27 HG LEU 479 HG LEU 479 -5.559 -1.990 0.709 28 HD11 LEU 479 HD11 LEU 479 -5.605 0.849 -0.251 29 HD12 LEU 479 HD12 LEU 479 -6.564 -0.419 -1.026 30 HD13 LEU 479 HD13 LEU 479 -4.802 -0.544 -0.981 31 HD21 LEU 479 HD21 LEU 479 -3.723 -0.618 1.402 32 HD22 LEU 479 HD22 LEU 479 -4.811 -0.825 2.782 33 HD23 LEU 479 HD23 LEU 479 -4.816 0.688 1.874 34 HA PRO 480 HA PRO 480 -8.104 -6.085 1.418 35 HB2 PRO 480 HB2 PRO 480 -5.378 -6.467 0.594 36 HB3 PRO 480 HB1 PRO 480 -6.725 -7.049 -0.130 37 HG2 PRO 480 HG2 PRO 480 -5.186 -5.104 -1.197 38 HG3 PRO 480 HG1 PRO 480 -6.858 -5.425 -1.668 39 HD2 PRO 480 HD2 PRO 480 -5.748 -3.228 -0.085 40 HD3 PRO 480 HD1 PRO 480 -7.289 -3.332 -0.951 41 HA PRO 481 HA PRO 481 -5.857 -6.628 5.264 42 HB2 PRO 481 HB2 PRO 481 -5.494 -9.475 4.861 43 HB3 PRO 481 HB1 PRO 481 -6.651 -8.643 5.900 44 HG2 PRO 481 HG2 PRO 481 -7.382 -10.046 3.687 45 HG3 PRO 481 HG1 PRO 481 -8.297 -8.658 4.304 46 HD2 PRO 481 HD2 PRO 481 -6.318 -8.775 2.054 47 HD3 PRO 481 HD1 PRO 481 -7.891 -7.946 2.129 48 H GLY 482 HN GLY 482 -4.111 -6.144 2.868 49 HA2 GLY 482 HA2 GLY 482 -1.651 -7.561 3.729 50 HA3 GLY 482 HA1 GLY 482 -1.933 -6.959 2.062 51 H TRP 483 HN TRP 483 -3.125 -4.861 4.519 52 HA TRP 483 HA TRP 483 -1.269 -3.190 3.021 53 HB2 TRP 483 HB2 TRP 483 -4.267 -3.081 2.911 54 HB3 TRP 483 HB1 TRP 483 -3.167 -1.953 2.104 55 HD1 TRP 483 HD1 TRP 483 -4.643 -5.371 1.694 56 HE1 TRP 483 HE1 TRP 483 -3.672 -6.512 -0.385 57 HE3 TRP 483 HE3 TRP 483 -1.020 -2.094 0.621 58 HZ2 TRP 483 HZ2 TRP 483 -1.850 -6.090 -2.178 59 HZ3 TRP 483 HZ3 TRP 483 0.334 -2.579 -1.289 60 HH2 TRP 483 HH2 TRP 483 -0.036 -4.483 -2.730 61 H GLU 484 HN GLU 484 -0.857 -1.321 3.551 62 HA GLU 484 HA GLU 484 -2.030 -0.125 5.983 63 HB2 GLU 484 HB2 GLU 484 0.214 -1.141 6.445 64 HB3 GLU 484 HB1 GLU 484 0.905 -0.119 5.211 65 HG2 GLU 484 HG2 GLU 484 1.288 0.584 7.548 66 HG3 GLU 484 HG1 GLU 484 0.584 1.818 6.503 67 H MET 485 HN MET 485 -3.052 1.639 5.275 68 HA MET 485 HA MET 485 -2.143 2.971 2.858 69 HB2 MET 485 HB2 MET 485 -4.546 2.560 3.183 70 HB3 MET 485 HB1 MET 485 -4.512 3.560 4.628 71 HG2 MET 485 HG2 MET 485 -3.661 4.655 1.975 72 HG3 MET 485 HG1 MET 485 -5.362 4.579 2.424 73 HE1 MET 485 HE1 MET 485 -4.074 7.288 1.590 74 HE2 MET 485 HE2 MET 485 -4.657 8.372 2.851 75 HE3 MET 485 HE3 MET 485 -5.732 7.151 2.173 76 H ARG 486 HN ARG 486 -0.523 4.369 3.135 77 HA ARG 486 HA ARG 486 -0.904 6.347 5.258 78 HB2 ARG 486 HB2 ARG 486 1.675 4.941 4.572 79 HB3 ARG 486 HB1 ARG 486 1.617 6.440 5.495 80 HG2 ARG 486 HG2 ARG 486 0.367 5.411 7.241 81 HG3 ARG 486 HG1 ARG 486 0.134 3.947 6.290 82 HD2 ARG 486 HD2 ARG 486 1.810 3.369 7.777 83 HD3 ARG 486 HD1 ARG 486 2.684 3.770 6.304 84 HE ARG 486 HE ARG 486 3.580 5.628 7.353 85 HH11 ARG 486 HH11 ARG 486 1.069 4.258 9.375 86 HH12 ARG 486 HH12 ARG 486 1.720 4.909 10.852 87 HH21 ARG 486 HH21 ARG 486 4.464 6.463 9.317 88 HH22 ARG 486 HH22 ARG 486 3.621 6.178 10.811 89 H ILE 487 HN ILE 487 -1.311 8.138 4.353 90 HA ILE 487 HA ILE 487 -0.143 8.943 1.812 91 HB ILE 487 HB ILE 487 -2.383 9.401 1.884 92 HG12 ILE 487 HG12 ILE 487 -0.771 11.894 2.523 93 HG13 ILE 487 HG11 ILE 487 -1.239 11.260 0.951 94 HG21 ILE 487 HG21 ILE 487 -1.995 10.520 4.647 95 HG22 ILE 487 HG22 ILE 487 -2.796 9.010 4.190 96 HG23 ILE 487 HG23 ILE 487 -3.509 10.562 3.736 97 HD11 ILE 487 HD11 ILE 487 -3.132 12.415 2.978 98 HD12 ILE 487 HD12 ILE 487 -3.560 11.815 1.376 99 HD13 ILE 487 HD13 ILE 487 -2.525 13.234 1.541 100 H ALA 488 HN ALA 488 1.617 9.919 1.690 101 HA ALA 488 HA ALA 488 2.988 10.419 4.148 102 HB1 ALA 488 HB1 ALA 488 4.001 10.385 1.323 103 HB2 ALA 488 HB2 ALA 488 4.037 9.041 2.464 104 HB3 ALA 488 HB3 ALA 488 4.998 10.488 2.775 105 HA PRO 489 HA PRO 489 2.770 14.858 4.062 106 HB2 PRO 489 HB2 PRO 489 5.714 14.892 4.484 107 HB3 PRO 489 HB1 PRO 489 4.429 15.651 5.428 108 HG2 PRO 489 HG2 PRO 489 5.654 13.472 6.328 109 HG3 PRO 489 HG1 PRO 489 3.904 13.682 6.540 110 HD2 PRO 489 HD2 PRO 489 5.387 11.986 4.574 111 HD3 PRO 489 HD1 PRO 489 3.896 11.628 5.468 112 H ASN 490 HN ASN 490 4.409 13.194 1.616 113 HA ASN 490 HA ASN 490 5.117 15.707 0.258 114 HB2 ASN 490 HB2 ASN 490 6.298 14.224 -1.381 115 HB3 ASN 490 HB1 ASN 490 6.941 14.127 0.254 116 HD21 ASN 490 HD21 ASN 490 7.455 12.127 -1.587 117 HD22 ASN 490 HD22 ASN 490 6.637 10.701 -1.068 118 H GLY 491 HN GLY 491 2.741 13.334 0.516 119 HA2 GLY 491 HA2 GLY 491 0.613 13.802 -0.561 120 HA3 GLY 491 HA1 GLY 491 1.503 14.284 -2.001 121 H ARG 492 HN ARG 492 2.269 11.512 -0.030 122 HA ARG 492 HA ARG 492 1.664 9.825 -2.356 123 HB2 ARG 492 HB2 ARG 492 4.037 9.718 -0.502 124 HB3 ARG 492 HB1 ARG 492 3.703 8.537 -1.736 125 HG2 ARG 492 HG2 ARG 492 3.598 11.039 -2.969 126 HG3 ARG 492 HG1 ARG 492 5.026 11.009 -1.922 127 HD2 ARG 492 HD2 ARG 492 4.713 8.610 -3.525 128 HD3 ARG 492 HD1 ARG 492 4.881 10.074 -4.490 129 HE ARG 492 HE ARG 492 6.811 9.415 -2.357 130 HH11 ARG 492 HH11 ARG 492 6.123 9.969 -5.759 131 HH12 ARG 492 HH12 ARG 492 7.771 10.358 -6.150 132 HH21 ARG 492 HH21 ARG 492 8.961 9.959 -2.860 133 HH22 ARG 492 HH22 ARG 492 9.387 10.381 -4.500 134 HA PRO 493 HA PRO 493 -0.249 7.304 0.886 135 HB2 PRO 493 HB2 PRO 493 -2.390 6.898 -0.995 136 HB3 PRO 493 HB1 PRO 493 -2.461 7.698 0.583 137 HG2 PRO 493 HG2 PRO 493 -2.800 9.068 -1.700 138 HG3 PRO 493 HG1 PRO 493 -2.001 9.782 -0.302 139 HD2 PRO 493 HD2 PRO 493 -0.729 8.472 -2.709 140 HD3 PRO 493 HD1 PRO 493 -0.398 10.085 -2.017 141 H PHE 494 HN PHE 494 1.139 5.771 0.778 142 HA PHE 494 HA PHE 494 1.508 4.257 -1.671 143 HB2 PHE 494 HB2 PHE 494 2.650 3.342 0.888 144 HB3 PHE 494 HB1 PHE 494 3.430 3.485 -0.652 145 HD1 PHE 494 HD1 PHE 494 2.515 5.231 2.427 146 HD2 PHE 494 HD2 PHE 494 4.781 5.458 -1.162 147 HE1 PHE 494 HE1 PHE 494 3.771 6.999 3.373 148 HE2 PHE 494 HE2 PHE 494 6.037 7.363 -0.216 149 HZ PHE 494 HZ PHE 494 5.568 8.091 2.109 150 H PHE 495 HN PHE 495 0.059 2.521 -1.884 151 HA PHE 495 HA PHE 495 -1.186 1.568 0.569 152 HB2 PHE 495 HB2 PHE 495 -1.564 0.667 -2.317 153 HB3 PHE 495 HB1 PHE 495 -2.450 0.022 -0.940 154 HD1 PHE 495 HD2 PHE 495 -2.776 2.724 0.490 155 HD2 PHE 495 HD1 PHE 495 -3.438 1.469 -3.520 156 HE1 PHE 495 HE2 PHE 495 -4.450 4.507 0.214 157 HE2 PHE 495 HE1 PHE 495 -5.108 3.249 -3.810 158 HZ PHE 495 HZ PHE 495 -5.621 4.769 -1.940 159 H TYR 496 HN TYR 496 0.422 0.366 1.689 160 HA TYR 496 HA TYR 496 2.202 -1.264 0.028 161 HB2 TYR 496 HB2 TYR 496 3.653 0.038 1.130 162 HB3 TYR 496 HB1 TYR 496 2.629 0.285 2.538 163 HD1 TYR 496 HD2 TYR 496 5.112 -1.957 0.919 164 HD2 TYR 496 HD1 TYR 496 2.869 -1.210 4.461 165 HE1 TYR 496 HE2 TYR 496 6.531 -3.525 2.141 166 HE2 TYR 496 HE1 TYR 496 4.294 -2.798 5.690 167 HH TYR 496 HH TYR 496 5.763 -4.613 5.319 168 H ASP 497 HN ASP 497 2.471 -3.321 0.179 169 HA ASP 497 HA ASP 497 0.342 -4.920 1.463 170 HB2 ASP 497 HB2 ASP 497 0.919 -5.199 -0.918 171 HB3 ASP 497 HB1 ASP 497 2.590 -5.558 -0.513 172 H HIS 498 HN HIS 498 0.895 -6.607 2.975 173 HA HIS 498 HA HIS 498 3.615 -6.435 4.107 174 HB2 HIS 498 HB2 HIS 498 1.040 -7.261 5.477 175 HB3 HIS 498 HB1 HIS 498 2.622 -7.196 6.241 176 HD1 HIS 498 HD1 HIS 498 1.126 -4.540 4.017 177 HD2 HIS 498 HD2 HIS 498 2.151 -5.095 7.997 178 HE1 HIS 498 HE1 HIS 498 0.833 -2.327 5.078 179 HE2 HIS 498 HE2 HIS 498 1.161 -2.752 7.545 180 H ASN 499 HN ASN 499 1.776 -8.331 2.194 181 HA ASN 499 HA ASN 499 2.437 -10.918 3.323 182 HB2 ASN 499 HB2 ASN 499 1.312 -10.309 0.577 183 HB3 ASN 499 HB1 ASN 499 1.252 -11.845 1.432 184 HD21 ASN 499 HD21 ASN 499 -0.274 -12.146 3.032 185 HD22 ASN 499 HD22 ASN 499 -1.581 -11.060 3.301 186 H THR 500 HN THR 500 3.337 -8.904 0.583 187 HA THR 500 HA THR 500 5.791 -10.503 0.230 188 HB THR 500 HB THR 500 4.521 -8.573 -1.730 189 HG1 THR 500 HG1 THR 500 4.426 -11.423 -1.580 190 HG21 THR 500 HG21 THR 500 6.930 -8.876 -2.066 191 HG22 THR 500 HG22 THR 500 6.008 -9.620 -3.371 192 HG23 THR 500 HG23 THR 500 6.708 -10.624 -2.102 193 H LYS 501 HN LYS 501 4.557 -7.681 1.491 194 HA LYS 501 HA LYS 501 5.420 -5.756 2.323 195 HB2 LYS 501 HB2 LYS 501 8.110 -7.023 1.831 196 HB3 LYS 501 HB1 LYS 501 7.814 -5.589 2.793 197 HG2 LYS 501 HG2 LYS 501 6.459 -6.939 4.346 198 HG3 LYS 501 HG1 LYS 501 6.866 -8.376 3.406 199 HD2 LYS 501 HD2 LYS 501 8.418 -8.411 5.144 200 HD3 LYS 501 HD1 LYS 501 9.313 -7.692 3.807 201 HE2 LYS 501 HE2 LYS 501 7.986 -6.175 6.056 202 HE3 LYS 501 HE1 LYS 501 9.707 -6.529 5.936 203 HZ1 LYS 501 HZ1 LYS 501 9.360 -4.315 5.200 204 HZ2 LYS 501 HZ2 LYS 501 8.103 -4.772 4.164 205 HZ3 LYS 501 HZ3 LYS 501 9.695 -5.239 3.815 206 H THR 502 HN THR 502 4.572 -5.484 -0.154 207 HA THR 502 HA THR 502 6.745 -4.092 -1.565 208 HB THR 502 HB THR 502 5.887 -5.930 -2.897 209 HG1 THR 502 HG1 THR 502 4.701 -3.931 -4.342 210 HG21 THR 502 HG21 THR 502 3.642 -6.117 -1.966 211 HG22 THR 502 HG22 THR 502 3.576 -5.957 -3.722 212 HG23 THR 502 HG23 THR 502 3.197 -4.573 -2.695 213 H THR 503 HN THR 503 6.590 -1.978 -1.919 214 HA THR 503 HA THR 503 4.235 -0.557 -0.970 215 HB THR 503 HB THR 503 5.745 1.456 -1.668 216 HG1 THR 503 HG1 THR 503 7.923 0.967 -1.842 217 HG21 THR 503 HG21 THR 503 7.132 1.179 0.438 218 HG22 THR 503 HG22 THR 503 6.338 -0.381 0.638 219 HG23 THR 503 HG23 THR 503 5.384 1.102 0.631 220 H THR 504 HN THR 504 2.696 0.231 -2.357 221 HA THR 504 HA THR 504 3.436 0.561 -5.164 222 HB THR 504 HB THR 504 2.386 -1.721 -4.736 223 HG1 THR 504 HG1 THR 504 1.569 -1.619 -6.749 224 HG21 THR 504 HG21 THR 504 -0.060 -1.791 -4.638 225 HG22 THR 504 HG22 THR 504 -0.097 -0.038 -4.446 226 HG23 THR 504 HG23 THR 504 0.629 -1.046 -3.194 227 H TRP 505 HN TRP 505 2.224 2.071 -6.304 228 HA TRP 505 HA TRP 505 0.370 3.685 -4.706 229 HB2 TRP 505 HB2 TRP 505 1.176 4.337 -7.521 230 HB3 TRP 505 HB1 TRP 505 0.658 5.423 -6.243 231 HD1 TRP 505 HD1 TRP 505 3.685 4.136 -7.942 232 HE1 TRP 505 HE1 TRP 505 5.804 5.028 -6.793 233 HE3 TRP 505 HE3 TRP 505 1.613 5.939 -3.565 234 HZ2 TRP 505 HZ2 TRP 505 6.501 6.300 -4.407 235 HZ3 TRP 505 HZ3 TRP 505 3.097 6.966 -1.949 236 HH2 TRP 505 HH2 TRP 505 5.483 7.155 -2.346 237 H GLU 506 HN GLU 506 0.381 1.069 -6.656 238 HA GLU 506 HA GLU 506 -1.907 1.683 -8.322 239 HB2 GLU 506 HB2 GLU 506 -0.390 -0.905 -7.958 240 HB3 GLU 506 HB1 GLU 506 -1.582 -0.571 -9.208 241 HG2 GLU 506 HG2 GLU 506 -0.121 1.231 -10.058 242 HG3 GLU 506 HG1 GLU 506 1.092 0.757 -8.869 243 H ASP 507 HN ASP 507 -3.873 0.505 -8.258 244 HA ASP 507 HA ASP 507 -4.894 0.331 -5.627 245 HB2 ASP 507 HB2 ASP 507 -6.002 0.660 -8.106 246 HB3 ASP 507 HB1 ASP 507 -6.490 -0.986 -7.712 247 HA PRO 508 HA PRO 508 -3.448 -3.868 -4.883 248 HB2 PRO 508 HB2 PRO 508 -4.203 -3.506 -2.179 249 HB3 PRO 508 HB1 PRO 508 -2.582 -3.389 -2.867 250 HG2 PRO 508 HG2 PRO 508 -4.019 -1.296 -1.805 251 HG3 PRO 508 HG1 PRO 508 -2.651 -1.143 -2.912 252 HD2 PRO 508 HD2 PRO 508 -5.567 -0.932 -3.438 253 HD3 PRO 508 HD1 PRO 508 -4.214 -0.038 -4.166 254 H ARG 509 HN ARG 509 -6.440 -2.708 -4.897 255 HA ARG 509 HA ARG 509 -7.667 -4.795 -3.360 256 HB2 ARG 509 HB2 ARG 509 -8.961 -2.549 -4.897 257 HB3 ARG 509 HB1 ARG 509 -9.652 -3.497 -3.579 258 HG2 ARG 509 HG2 ARG 509 -7.845 -2.605 -2.080 259 HG3 ARG 509 HG1 ARG 509 -7.371 -1.547 -3.414 260 HD2 ARG 509 HD2 ARG 509 -10.142 -1.555 -2.242 261 HD3 ARG 509 HD1 ARG 509 -8.866 -0.441 -1.753 262 HE ARG 509 HE ARG 509 -8.934 -0.141 -4.439 263 HH11 ARG 509 HH11 ARG 509 -11.433 -0.032 -1.981 264 HH12 ARG 509 HH12 ARG 509 -12.388 1.151 -2.826 265 HH21 ARG 509 HH21 ARG 509 -10.173 1.403 -5.539 266 HH22 ARG 509 HH22 ARG 509 -11.674 1.964 -4.869 267 H LEU 510 HN LEU 510 -6.352 -4.025 -6.233 268 HA LEU 510 HA LEU 510 -7.930 -5.467 -7.951 269 HB2 LEU 510 HB2 LEU 510 -6.160 -5.450 -9.547 270 HB3 LEU 510 HB1 LEU 510 -6.079 -3.933 -8.679 271 HG LEU 510 HG LEU 510 -4.269 -5.136 -7.230 272 HD11 LEU 510 HD11 LEU 510 -2.964 -6.801 -8.435 273 HD12 LEU 510 HD12 LEU 510 -4.166 -6.820 -9.728 274 HD13 LEU 510 HD13 LEU 510 -4.597 -7.382 -8.111 275 HD21 LEU 510 HD21 LEU 510 -2.523 -4.426 -8.750 276 HD22 LEU 510 HD22 LEU 510 -3.837 -3.250 -8.722 277 HD23 LEU 510 HD23 LEU 510 -3.679 -4.364 -10.081 278 H LYS 511 HN LYS 511 -5.827 -6.259 -5.501 279 HA LYS 511 HA LYS 511 -4.888 -8.831 -6.335 280 HB2 LYS 511 HB2 LYS 511 -3.390 -7.518 -5.104 281 HB3 LYS 511 HB1 LYS 511 -4.595 -7.083 -3.912 282 HG2 LYS 511 HG2 LYS 511 -4.212 -9.896 -3.841 283 HG3 LYS 511 HG1 LYS 511 -2.640 -9.096 -3.784 284 HD2 LYS 511 HD2 LYS 511 -3.896 -7.537 -2.030 285 HD3 LYS 511 HD1 LYS 511 -4.915 -8.968 -1.871 286 HE2 LYS 511 HE2 LYS 511 -2.984 -8.886 -0.264 287 HE3 LYS 511 HE1 LYS 511 -3.101 -10.352 -1.234 288 HZ1 LYS 511 HZ1 LYS 511 -0.911 -9.908 -1.509 289 HZ2 LYS 511 HZ2 LYS 511 -1.080 -8.238 -1.283 290 HZ3 LYS 511 HZ3 LYS 511 -1.487 -8.942 -2.776 291 H PHE 512 HN PHE 512 -7.763 -7.806 -5.079 292 HA PHE 512 HA PHE 512 -8.331 -9.226 -2.972 293 HB2 PHE 512 HB2 PHE 512 -10.032 -8.120 -4.990 294 HB3 PHE 512 HB1 PHE 512 -10.788 -9.219 -3.834 295 HD1 PHE 512 HD2 PHE 512 -7.998 -6.763 -3.319 296 HD2 PHE 512 HD1 PHE 512 -12.059 -7.852 -2.466 297 HE1 PHE 512 HE2 PHE 512 -8.132 -5.021 -1.633 298 HE2 PHE 512 HE1 PHE 512 -12.177 -6.069 -0.772 299 HZ PHE 512 HZ PHE 512 -10.209 -4.649 -0.350 300 HA PRO 513 HA PRO 513 -9.815 -13.139 -5.518 301 HB2 PRO 513 HB2 PRO 513 -7.372 -12.872 -7.201 302 HB3 PRO 513 HB1 PRO 513 -8.988 -13.440 -7.640 303 HG2 PRO 513 HG2 PRO 513 -8.131 -10.976 -8.317 304 HG3 PRO 513 HG1 PRO 513 -9.823 -11.293 -7.891 305 HD2 PRO 513 HD2 PRO 513 -7.698 -9.961 -6.232 306 HD3 PRO 513 HD1 PRO 513 -9.423 -9.683 -6.212 307 H VAL 514 HN VAL 514 -6.949 -11.990 -4.048 308 HA VAL 514 HA VAL 514 -5.572 -14.423 -3.751 309 HB VAL 514 HB VAL 514 -4.480 -12.243 -3.529 310 HG11 VAL 514 HG11 VAL 514 -4.627 -11.020 -1.378 311 HG12 VAL 514 HG12 VAL 514 -5.893 -12.133 -0.859 312 HG13 VAL 514 HG13 VAL 514 -6.170 -11.062 -2.231 313 HG21 VAL 514 HG21 VAL 514 -4.139 -14.064 -1.159 314 HG22 VAL 514 HG22 VAL 514 -2.990 -12.825 -1.665 315 HG23 VAL 514 HG23 VAL 514 -3.326 -14.200 -2.718 316 H HIS 515 HN HIS 515 -8.286 -13.404 -2.514 317 HA HIS 515 HA HIS 515 -9.709 -14.002 -0.810 318 HB2 HIS 515 HB2 HIS 515 -9.868 -16.549 -0.585 319 HB3 HIS 515 HB1 HIS 515 -10.095 -15.877 -2.195 320 HD1 HIS 515 HD1 HIS 515 -8.008 -16.110 -3.839 321 HD2 HIS 515 HD2 HIS 515 -7.829 -18.402 -0.376 322 HE1 HIS 515 HE1 HIS 515 -6.061 -17.645 -4.161 323 HE2 HIS 515 HE2 HIS 515 -6.183 -19.247 -2.188 324 H1 ALA 202 HT1 ALA 202 10.655 2.997 9.443 325 H2 ALA 202 HT2 ALA 202 9.113 2.369 9.776 326 H3 ALA 202 HT3 ALA 202 9.582 2.667 8.176 327 HA ALA 202 HA ALA 202 11.224 0.963 8.243 328 HB1 ALA 202 HB1 ALA 202 11.550 -0.424 10.213 329 HB2 ALA 202 HB2 ALA 202 10.359 0.528 11.098 330 HB3 ALA 202 HB3 ALA 202 11.875 1.270 10.585 331 H GLY 203 HN GLY 203 8.541 0.096 10.436 332 HA2 GLY 203 HA2 GLY 203 7.789 -2.073 8.678 333 HA3 GLY 203 HA1 GLY 203 7.032 -1.653 10.207 334 H SEP 204 HN SEP 204 6.590 1.107 9.503 335 HA SEP 204 HA SEP 204 4.169 0.760 7.956 336 HB2 SEP 204 HB2 SEP 204 4.493 3.471 8.583 337 HB3 SEP 204 HB1 SEP 204 3.489 2.293 9.428 338 HA PRO 205 HA PRO 205 5.817 1.978 4.056 339 HB2 PRO 205 HB2 PRO 205 3.299 3.085 3.290 340 HB3 PRO 205 HB1 PRO 205 3.986 1.536 2.831 341 HG2 PRO 205 HG2 PRO 205 1.868 2.079 4.716 342 HG3 PRO 205 HG1 PRO 205 2.435 0.533 4.085 343 HD2 PRO 205 HD2 PRO 205 2.788 1.516 6.674 344 HD3 PRO 205 HD1 PRO 205 3.592 0.110 5.953 345 H ASN 206 HN ASN 206 7.145 3.791 4.825 346 HA ASN 206 HA ASN 206 5.900 6.224 3.736 347 HB2 ASN 206 HB2 ASN 206 6.782 6.348 6.111 348 HB3 ASN 206 HB1 ASN 206 8.394 6.284 5.421 349 HD21 ASN 206 HD21 ASN 206 7.556 7.941 3.082 350 HD22 ASN 206 HD22 ASN 206 7.404 9.550 3.704 351 H LEU 207 HN LEU 207 8.142 3.759 3.237 352 HA LEU 207 HA LEU 207 9.992 5.211 1.635 353 HB2 LEU 207 HB2 LEU 207 10.810 2.999 0.895 354 HB3 LEU 207 HB1 LEU 207 10.753 3.173 2.635 355 HG LEU 207 HG LEU 207 8.554 1.767 1.131 356 HD11 LEU 207 HD11 LEU 207 9.704 -0.340 1.611 357 HD12 LEU 207 HD12 LEU 207 11.091 0.557 2.229 358 HD13 LEU 207 HD13 LEU 207 10.649 0.679 0.526 359 HD21 LEU 207 HD21 LEU 207 8.086 2.400 3.447 360 HD22 LEU 207 HD22 LEU 207 9.550 1.572 3.976 361 HD23 LEU 207 HD23 LEU 207 8.217 0.650 3.283 362 H SEP 208 HN SEP 208 9.149 6.315 -0.002 363 HA SEP 208 HA SEP 208 7.093 5.426 -1.714 364 HB2 SEP 208 HB2 SEP 208 9.238 7.497 -2.278 365 HB3 SEP 208 HB1 SEP 208 7.692 7.352 -3.103 366 HA PRO 209 HA PRO 209 9.681 2.708 -4.236 367 HB2 PRO 209 HB2 PRO 209 7.602 1.856 -5.821 368 HB3 PRO 209 HB1 PRO 209 8.055 1.110 -4.285 369 HG2 PRO 209 HG2 PRO 209 5.795 2.897 -4.929 370 HG3 PRO 209 HG1 PRO 209 5.933 1.659 -3.674 371 HD2 PRO 209 HD2 PRO 209 6.109 4.397 -3.292 372 HD3 PRO 209 HD1 PRO 209 6.649 3.171 -2.136 373 H ASN 210 HN ASN 210 10.806 3.388 -5.936 374 HA ASN 210 HA ASN 210 10.085 5.765 -7.330 375 HB2 ASN 210 HB2 ASN 210 12.290 3.752 -7.834 376 HB3 ASN 210 HB1 ASN 210 12.139 5.291 -8.676 377 HD21 ASN 210 HD21 ASN 210 12.663 7.176 -7.630 378 HD22 ASN 210 HD22 ASN 210 13.485 7.199 -6.102 379 HA PRO 211 HA PRO 211 7.415 3.678 -10.249 380 HB2 PRO 211 HB2 PRO 211 7.391 6.318 -11.566 381 HB3 PRO 211 HB1 PRO 211 6.047 5.376 -10.915 382 HG2 PRO 211 HG2 PRO 211 6.906 7.591 -9.681 383 HG3 PRO 211 HG1 PRO 211 6.354 6.176 -8.763 384 HD2 PRO 211 HD2 PRO 211 9.152 7.073 -9.359 385 HD3 PRO 211 HD1 PRO 211 8.465 6.460 -7.837 Start of MODEL 4 1 H GLN 476 HT1 GLN 476 -6.116 -3.623 5.722 2 HA GLN 476 HA GLN 476 -7.592 -1.978 6.705 3 HB2 GLN 476 HB2 GLN 476 -6.683 -1.467 3.875 4 HB3 GLN 476 HB1 GLN 476 -7.288 -0.203 4.937 5 HG2 GLN 476 HG2 GLN 476 -4.913 -1.949 5.548 6 HG3 GLN 476 HG1 GLN 476 -4.819 -0.340 4.837 7 HE21 GLN 476 HE21 GLN 476 -3.606 0.413 6.591 8 HE22 GLN 476 HE22 GLN 476 -4.321 0.737 8.130 9 H SER 477 HN SER 477 -9.124 -0.154 5.715 10 HA SER 477 HA SER 477 -11.599 -1.582 5.451 11 HB2 SER 477 HB2 SER 477 -11.276 0.470 6.868 12 HB3 SER 477 HB1 SER 477 -11.201 1.411 5.379 13 HG SER 477 HG SER 477 -13.300 1.062 5.014 14 H PHE 478 HN PHE 478 -9.565 0.270 3.257 15 HA PHE 478 HA PHE 478 -11.637 0.472 1.144 16 HB2 PHE 478 HB2 PHE 478 -8.815 0.450 0.283 17 HB3 PHE 478 HB1 PHE 478 -10.034 1.674 -0.045 18 HD1 PHE 478 HD2 PHE 478 -10.561 2.709 2.738 19 HD2 PHE 478 HD1 PHE 478 -6.992 1.492 0.745 20 HE1 PHE 478 HE2 PHE 478 -9.164 3.918 4.389 21 HE2 PHE 478 HE1 PHE 478 -5.670 2.637 2.358 22 HZ PHE 478 HZ PHE 478 -6.701 3.750 4.154 23 H LEU 479 HN LEU 479 -9.316 -1.659 2.508 24 HA LEU 479 HA LEU 479 -8.010 -2.134 -0.044 25 HB2 LEU 479 HB2 LEU 479 -7.305 0.005 0.952 26 HB3 LEU 479 HB1 LEU 479 -6.758 -0.741 2.432 27 HG LEU 479 HG LEU 479 -5.233 -2.044 0.547 28 HD11 LEU 479 HD11 LEU 479 -4.653 -0.594 -1.206 29 HD12 LEU 479 HD12 LEU 479 -5.480 0.773 -0.452 30 HD13 LEU 479 HD13 LEU 479 -6.418 -0.552 -1.154 31 HD21 LEU 479 HD21 LEU 479 -4.596 0.692 1.654 32 HD22 LEU 479 HD22 LEU 479 -3.447 -0.551 1.132 33 HD23 LEU 479 HD23 LEU 479 -4.447 -0.815 2.564 34 HA PRO 480 HA PRO 480 -7.828 -6.238 1.180 35 HB2 PRO 480 HB2 PRO 480 -5.098 -6.564 0.289 36 HB3 PRO 480 HB1 PRO 480 -6.443 -7.201 -0.393 37 HG2 PRO 480 HG2 PRO 480 -5.071 -5.264 -1.583 38 HG3 PRO 480 HG1 PRO 480 -6.809 -5.496 -1.832 39 HD2 PRO 480 HD2 PRO 480 -5.377 -3.449 -0.252 40 HD3 PRO 480 HD1 PRO 480 -6.950 -3.360 -1.065 41 HA PRO 481 HA PRO 481 -5.502 -7.032 4.940 42 HB2 PRO 481 HB2 PRO 481 -5.152 -9.693 4.905 43 HB3 PRO 481 HB1 PRO 481 -6.756 -8.970 5.068 44 HG2 PRO 481 HG2 PRO 481 -5.426 -10.093 2.629 45 HG3 PRO 481 HG1 PRO 481 -7.086 -10.338 3.210 46 HD2 PRO 481 HD2 PRO 481 -6.436 -8.566 1.248 47 HD3 PRO 481 HD1 PRO 481 -7.808 -8.335 2.350 48 H GLY 482 HN GLY 482 -3.807 -6.248 2.662 49 HA2 GLY 482 HA2 GLY 482 -1.306 -7.690 3.364 50 HA3 GLY 482 HA1 GLY 482 -1.617 -7.000 1.739 51 H TRP 483 HN TRP 483 -2.925 -4.987 4.150 52 HA TRP 483 HA TRP 483 -1.028 -3.276 2.736 53 HB2 TRP 483 HB2 TRP 483 -4.029 -3.154 2.665 54 HB3 TRP 483 HB1 TRP 483 -2.933 -2.011 1.872 55 HD1 TRP 483 HD1 TRP 483 -4.430 -5.424 1.393 56 HE1 TRP 483 HE1 TRP 483 -3.415 -6.512 -0.705 57 HE3 TRP 483 HE3 TRP 483 -0.811 -2.090 0.364 58 HZ2 TRP 483 HZ2 TRP 483 -1.591 -6.069 -2.443 59 HZ3 TRP 483 HZ3 TRP 483 0.555 -2.541 -1.551 60 HH2 TRP 483 HH2 TRP 483 0.203 -4.441 -3.007 61 H GLU 484 HN GLU 484 -0.563 -1.428 3.345 62 HA GLU 484 HA GLU 484 -1.837 -0.270 5.740 63 HB2 GLU 484 HB2 GLU 484 0.427 -1.242 6.259 64 HB3 GLU 484 HB1 GLU 484 1.118 -0.152 5.091 65 HG2 GLU 484 HG2 GLU 484 1.297 0.454 7.514 66 HG3 GLU 484 HG1 GLU 484 0.733 1.702 6.398 67 H MET 485 HN MET 485 -2.852 1.500 5.031 68 HA MET 485 HA MET 485 -1.896 2.793 2.606 69 HB2 MET 485 HB2 MET 485 -4.306 2.313 2.876 70 HB3 MET 485 HB1 MET 485 -4.349 3.417 4.242 71 HG2 MET 485 HG2 MET 485 -3.403 4.326 1.551 72 HG3 MET 485 HG1 MET 485 -5.120 4.248 1.931 73 HE1 MET 485 HE1 MET 485 -5.549 6.768 1.482 74 HE2 MET 485 HE2 MET 485 -3.875 6.925 0.949 75 HE3 MET 485 HE3 MET 485 -4.543 8.073 2.110 76 H ARG 486 HN ARG 486 -0.214 4.071 3.056 77 HA ARG 486 HA ARG 486 -0.665 6.064 5.162 78 HB2 ARG 486 HB2 ARG 486 2.059 5.315 4.124 79 HB3 ARG 486 HB1 ARG 486 1.662 6.218 5.571 80 HG2 ARG 486 HG2 ARG 486 1.138 3.296 5.111 81 HG3 ARG 486 HG1 ARG 486 2.422 3.981 6.104 82 HD2 ARG 486 HD2 ARG 486 -0.414 4.713 6.652 83 HD3 ARG 486 HD1 ARG 486 0.194 3.151 7.190 84 HE ARG 486 HE ARG 486 1.946 5.219 7.999 85 HH11 ARG 486 HH11 ARG 486 -1.176 3.811 8.693 86 HH12 ARG 486 HH12 ARG 486 -1.162 4.267 10.376 87 HH21 ARG 486 HH21 ARG 486 2.021 5.776 10.214 88 HH22 ARG 486 HH22 ARG 486 0.682 5.355 11.248 89 H ILE 487 HN ILE 487 -1.335 7.816 4.256 90 HA ILE 487 HA ILE 487 -0.231 8.764 1.735 91 HB ILE 487 HB ILE 487 -2.503 9.121 1.830 92 HG12 ILE 487 HG12 ILE 487 -0.957 11.647 2.497 93 HG13 ILE 487 HG11 ILE 487 -1.438 11.029 0.923 94 HG21 ILE 487 HG21 ILE 487 -3.661 10.197 3.709 95 HG22 ILE 487 HG22 ILE 487 -2.142 10.202 4.612 96 HG23 ILE 487 HG23 ILE 487 -2.885 8.669 4.137 97 HD11 ILE 487 HD11 ILE 487 -2.776 12.947 1.559 98 HD12 ILE 487 HD12 ILE 487 -3.323 12.096 3.004 99 HD13 ILE 487 HD13 ILE 487 -3.766 11.497 1.405 100 H ALA 488 HN ALA 488 1.490 9.834 1.676 101 HA ALA 488 HA ALA 488 2.803 10.232 4.188 102 HB1 ALA 488 HB1 ALA 488 3.902 10.431 1.401 103 HB2 ALA 488 HB2 ALA 488 3.846 8.966 2.372 104 HB3 ALA 488 HB3 ALA 488 4.829 10.329 2.897 105 HA PRO 489 HA PRO 489 2.432 14.641 4.381 106 HB2 PRO 489 HB2 PRO 489 5.378 14.767 4.787 107 HB3 PRO 489 HB1 PRO 489 4.072 15.430 5.776 108 HG2 PRO 489 HG2 PRO 489 5.363 13.251 6.557 109 HG3 PRO 489 HG1 PRO 489 3.607 13.381 6.768 110 HD2 PRO 489 HD2 PRO 489 5.162 11.856 4.718 111 HD3 PRO 489 HD1 PRO 489 3.682 11.393 5.582 112 H ASN 490 HN ASN 490 4.231 13.211 1.874 113 HA ASN 490 HA ASN 490 4.785 15.836 0.662 114 HB2 ASN 490 HB2 ASN 490 6.050 14.415 -1.065 115 HB3 ASN 490 HB1 ASN 490 6.760 14.559 0.537 116 HD21 ASN 490 HD21 ASN 490 7.390 12.494 -1.294 117 HD22 ASN 490 HD22 ASN 490 6.887 11.013 -0.557 118 H GLY 491 HN GLY 491 2.596 13.289 0.718 119 HA2 GLY 491 HA2 GLY 491 0.477 13.680 -0.418 120 HA3 GLY 491 HA1 GLY 491 1.392 14.258 -1.805 121 H ARG 492 HN ARG 492 2.265 11.466 0.090 122 HA ARG 492 HA ARG 492 1.883 9.840 -2.325 123 HB2 ARG 492 HB2 ARG 492 4.021 9.657 -0.218 124 HB3 ARG 492 HB1 ARG 492 3.850 8.561 -1.544 125 HG2 ARG 492 HG2 ARG 492 3.942 10.998 -2.779 126 HG3 ARG 492 HG1 ARG 492 5.082 11.147 -1.434 127 HD2 ARG 492 HD2 ARG 492 5.909 8.829 -2.277 128 HD3 ARG 492 HD1 ARG 492 5.146 9.328 -3.783 129 HE ARG 492 HE ARG 492 7.298 10.842 -2.453 130 HH11 ARG 492 HH11 ARG 492 5.642 9.755 -5.334 131 HH12 ARG 492 HH12 ARG 492 6.857 10.375 -6.418 132 HH21 ARG 492 HH21 ARG 492 8.901 11.642 -3.868 133 HH22 ARG 492 HH22 ARG 492 8.712 11.430 -5.580 134 HA PRO 493 HA PRO 493 -0.239 7.181 0.694 135 HB2 PRO 493 HB2 PRO 493 -2.277 6.846 -1.318 136 HB3 PRO 493 HB1 PRO 493 -2.433 7.560 0.291 137 HG2 PRO 493 HG2 PRO 493 -2.672 9.050 -1.919 138 HG3 PRO 493 HG1 PRO 493 -1.932 9.689 -0.458 139 HD2 PRO 493 HD2 PRO 493 -0.550 8.498 -2.867 140 HD3 PRO 493 HD1 PRO 493 -0.262 10.078 -2.088 141 H PHE 494 HN PHE 494 1.214 5.694 0.582 142 HA PHE 494 HA PHE 494 1.633 4.181 -1.870 143 HB2 PHE 494 HB2 PHE 494 2.761 3.270 0.703 144 HB3 PHE 494 HB1 PHE 494 3.548 3.408 -0.836 145 HD1 PHE 494 HD1 PHE 494 2.591 5.132 2.218 146 HD2 PHE 494 HD2 PHE 494 4.921 5.407 -1.329 147 HE1 PHE 494 HE1 PHE 494 3.820 6.889 3.213 148 HE2 PHE 494 HE2 PHE 494 6.141 7.298 -0.325 149 HZ PHE 494 HZ PHE 494 5.616 8.025 1.975 150 H PHE 495 HN PHE 495 0.156 2.459 -2.113 151 HA PHE 495 HA PHE 495 -1.022 1.376 0.330 152 HB2 PHE 495 HB2 PHE 495 -1.377 0.492 -2.567 153 HB3 PHE 495 HB1 PHE 495 -2.290 -0.111 -1.190 154 HD1 PHE 495 HD2 PHE 495 -2.648 2.616 0.172 155 HD2 PHE 495 HD1 PHE 495 -3.194 1.291 -3.833 156 HE1 PHE 495 HE2 PHE 495 -4.307 4.397 -0.188 157 HE2 PHE 495 HE1 PHE 495 -4.850 3.071 -4.202 158 HZ PHE 495 HZ PHE 495 -5.409 4.623 -2.377 159 H TYR 496 HN TYR 496 0.548 0.056 1.386 160 HA TYR 496 HA TYR 496 2.354 -1.474 -0.363 161 HB2 TYR 496 HB2 TYR 496 3.873 -0.216 0.679 162 HB3 TYR 496 HB1 TYR 496 2.856 0.157 2.067 163 HD1 TYR 496 HD1 TYR 496 5.320 -2.205 0.617 164 HD2 TYR 496 HD2 TYR 496 2.994 -1.253 4.058 165 HE1 TYR 496 HE1 TYR 496 6.682 -3.733 1.963 166 HE2 TYR 496 HE2 TYR 496 4.358 -2.795 5.403 167 HH TYR 496 HH TYR 496 7.307 -4.029 4.346 168 H ASP 497 HN ASP 497 2.507 -3.596 -0.296 169 HA ASP 497 HA ASP 497 0.556 -5.111 1.324 170 HB2 ASP 497 HB2 ASP 497 0.867 -5.522 -1.139 171 HB3 ASP 497 HB1 ASP 497 2.486 -6.123 -0.804 172 H HIS 498 HN HIS 498 1.316 -6.548 3.000 173 HA HIS 498 HA HIS 498 4.107 -6.158 3.786 174 HB2 HIS 498 HB2 HIS 498 1.819 -7.381 5.349 175 HB3 HIS 498 HB1 HIS 498 3.430 -7.059 5.980 176 HD1 HIS 498 HD1 HIS 498 1.721 -4.562 3.809 177 HD2 HIS 498 HD2 HIS 498 2.442 -5.179 7.844 178 HE1 HIS 498 HE1 HIS 498 1.004 -2.473 4.916 179 HE2 HIS 498 HE2 HIS 498 1.229 -2.934 7.393 180 H ASN 499 HN ASN 499 2.420 -8.432 2.067 181 HA ASN 499 HA ASN 499 3.743 -10.771 3.193 182 HB2 ASN 499 HB2 ASN 499 2.059 -10.623 0.682 183 HB3 ASN 499 HB1 ASN 499 2.499 -12.070 1.583 184 HD21 ASN 499 HD21 ASN 499 0.458 -9.279 1.439 185 HD22 ASN 499 HD22 ASN 499 -0.641 -9.764 2.691 186 H THR 500 HN THR 500 3.744 -8.859 0.219 187 HA THR 500 HA THR 500 6.204 -10.219 -0.606 188 HB THR 500 HB THR 500 5.817 -8.920 -2.773 189 HG1 THR 500 HG1 THR 500 3.569 -8.306 -3.043 190 HG21 THR 500 HG21 THR 500 4.143 -10.519 -3.576 191 HG22 THR 500 HG22 THR 500 3.760 -10.953 -1.910 192 HG23 THR 500 HG23 THR 500 5.355 -11.309 -2.569 193 H LYS 501 HN LYS 501 5.348 -7.589 1.150 194 HA LYS 501 HA LYS 501 6.443 -5.732 1.899 195 HB2 LYS 501 HB2 LYS 501 8.836 -6.944 0.503 196 HB3 LYS 501 HB1 LYS 501 8.884 -5.674 1.712 197 HG2 LYS 501 HG2 LYS 501 7.850 -8.455 2.225 198 HG3 LYS 501 HG1 LYS 501 9.493 -7.915 2.578 199 HD2 LYS 501 HD2 LYS 501 8.604 -6.210 4.091 200 HD3 LYS 501 HD1 LYS 501 6.961 -6.748 3.734 201 HE2 LYS 501 HE2 LYS 501 7.373 -8.876 4.734 202 HE3 LYS 501 HE1 LYS 501 9.095 -8.527 4.896 203 HZ1 LYS 501 HZ1 LYS 501 8.544 -6.754 6.447 204 HZ2 LYS 501 HZ2 LYS 501 7.958 -8.246 6.996 205 HZ3 LYS 501 HZ3 LYS 501 6.891 -7.118 6.313 206 H THR 502 HN THR 502 5.123 -5.699 -0.701 207 HA THR 502 HA THR 502 6.902 -4.071 -2.339 208 HB THR 502 HB THR 502 5.717 -5.898 -3.472 209 HG1 THR 502 HG1 THR 502 4.686 -3.402 -4.372 210 HG21 THR 502 HG21 THR 502 3.303 -5.763 -3.875 211 HG22 THR 502 HG22 THR 502 3.201 -4.370 -2.799 212 HG23 THR 502 HG23 THR 502 3.661 -5.948 -2.159 213 H THR 503 HN THR 503 6.885 -1.960 -2.145 214 HA THR 503 HA THR 503 4.520 -0.556 -1.192 215 HB THR 503 HB THR 503 6.089 1.478 -1.667 216 HG1 THR 503 HG1 THR 503 7.771 0.646 -2.772 217 HG21 THR 503 HG21 THR 503 7.381 1.012 0.464 218 HG22 THR 503 HG22 THR 503 6.558 -0.550 0.500 219 HG23 THR 503 HG23 THR 503 5.623 0.944 0.579 220 H THR 504 HN THR 504 3.014 0.170 -2.600 221 HA THR 504 HA THR 504 3.759 0.699 -5.372 222 HB THR 504 HB THR 504 2.965 -1.809 -4.719 223 HG1 THR 504 HG1 THR 504 2.309 -0.455 -7.157 224 HG21 THR 504 HG21 THR 504 0.430 -0.376 -5.519 225 HG22 THR 504 HG22 THR 504 0.749 -1.165 -3.972 226 HG23 THR 504 HG23 THR 504 0.636 -2.127 -5.446 227 H TRP 505 HN TRP 505 2.199 2.016 -6.482 228 HA TRP 505 HA TRP 505 0.237 3.246 -4.661 229 HB2 TRP 505 HB2 TRP 505 0.776 4.400 -7.357 230 HB3 TRP 505 HB1 TRP 505 0.403 5.216 -5.846 231 HD1 TRP 505 HD1 TRP 505 3.294 3.849 -7.891 232 HE1 TRP 505 HE1 TRP 505 5.505 4.776 -6.973 233 HE3 TRP 505 HE3 TRP 505 1.579 6.098 -3.561 234 HZ2 TRP 505 HZ2 TRP 505 6.393 6.265 -4.785 235 HZ3 TRP 505 HZ3 TRP 505 3.196 7.241 -2.164 236 HH2 TRP 505 HH2 TRP 505 5.546 7.327 -2.749 237 H GLU 506 HN GLU 506 0.539 1.012 -7.057 238 HA GLU 506 HA GLU 506 -1.800 1.393 -8.612 239 HB2 GLU 506 HB2 GLU 506 -0.060 -1.019 -8.085 240 HB3 GLU 506 HB1 GLU 506 -1.434 -1.059 -9.178 241 HG2 GLU 506 HG2 GLU 506 0.600 -0.791 -10.423 242 HG3 GLU 506 HG1 GLU 506 -0.373 0.669 -10.555 243 H ASP 507 HN ASP 507 -3.763 0.252 -8.536 244 HA ASP 507 HA ASP 507 -4.935 0.019 -6.010 245 HB2 ASP 507 HB2 ASP 507 -6.174 0.464 -8.117 246 HB3 ASP 507 HB1 ASP 507 -5.914 -1.210 -8.594 247 HA PRO 508 HA PRO 508 -3.340 -4.069 -4.963 248 HB2 PRO 508 HB2 PRO 508 -4.132 -3.523 -2.305 249 HB3 PRO 508 HB1 PRO 508 -2.501 -3.432 -2.975 250 HG2 PRO 508 HG2 PRO 508 -3.968 -1.280 -2.087 251 HG3 PRO 508 HG1 PRO 508 -2.608 -1.194 -3.212 252 HD2 PRO 508 HD2 PRO 508 -5.531 -1.114 -3.752 253 HD3 PRO 508 HD1 PRO 508 -4.211 -0.205 -4.520 254 H ARG 509 HN ARG 509 -6.328 -2.937 -5.100 255 HA ARG 509 HA ARG 509 -7.533 -4.917 -3.414 256 HB2 ARG 509 HB2 ARG 509 -8.861 -2.804 -5.100 257 HB3 ARG 509 HB1 ARG 509 -9.524 -3.644 -3.697 258 HG2 ARG 509 HG2 ARG 509 -7.724 -2.634 -2.289 259 HG3 ARG 509 HG1 ARG 509 -7.209 -1.725 -3.715 260 HD2 ARG 509 HD2 ARG 509 -9.965 -1.523 -2.520 261 HD3 ARG 509 HD1 ARG 509 -8.650 -0.385 -2.227 262 HE ARG 509 HE ARG 509 -8.823 -0.470 -4.945 263 HH11 ARG 509 HH11 ARG 509 -11.165 0.152 -2.408 264 HH12 ARG 509 HH12 ARG 509 -12.100 1.246 -3.375 265 HH21 ARG 509 HH21 ARG 509 -10.059 0.941 -6.206 266 HH22 ARG 509 HH22 ARG 509 -11.490 1.678 -5.540 267 H LEU 510 HN LEU 510 -6.247 -4.380 -6.316 268 HA LEU 510 HA LEU 510 -7.653 -5.742 -8.147 269 HB2 LEU 510 HB2 LEU 510 -5.698 -6.043 -9.393 270 HB3 LEU 510 HB1 LEU 510 -5.318 -4.671 -8.372 271 HG LEU 510 HG LEU 510 -4.516 -7.442 -7.511 272 HD11 LEU 510 HD11 LEU 510 -3.006 -5.664 -9.411 273 HD12 LEU 510 HD12 LEU 510 -3.633 -7.281 -9.742 274 HD13 LEU 510 HD13 LEU 510 -2.328 -7.058 -8.570 275 HD21 LEU 510 HD21 LEU 510 -4.309 -5.436 -5.995 276 HD22 LEU 510 HD22 LEU 510 -3.104 -4.822 -7.123 277 HD23 LEU 510 HD23 LEU 510 -2.827 -6.345 -6.280 278 H LYS 511 HN LYS 511 -5.841 -6.989 -5.464 279 HA LYS 511 HA LYS 511 -5.801 -9.726 -6.346 280 HB2 LYS 511 HB2 LYS 511 -4.390 -10.196 -4.576 281 HB3 LYS 511 HB1 LYS 511 -3.948 -8.560 -5.014 282 HG2 LYS 511 HG2 LYS 511 -5.910 -8.303 -3.043 283 HG3 LYS 511 HG1 LYS 511 -4.863 -9.615 -2.499 284 HD2 LYS 511 HD2 LYS 511 -4.109 -6.782 -3.180 285 HD3 LYS 511 HD1 LYS 511 -3.953 -7.605 -1.631 286 HE2 LYS 511 HE2 LYS 511 -2.492 -8.630 -4.045 287 HE3 LYS 511 HE1 LYS 511 -1.849 -7.267 -3.136 288 HZ1 LYS 511 HZ1 LYS 511 -2.564 -9.779 -1.765 289 HZ2 LYS 511 HZ2 LYS 511 -1.472 -8.569 -1.278 290 HZ3 LYS 511 HZ3 LYS 511 -1.073 -9.619 -2.549 291 H PHE 512 HN PHE 512 -8.100 -7.872 -4.990 292 HA PHE 512 HA PHE 512 -8.937 -8.913 -2.770 293 HB2 PHE 512 HB2 PHE 512 -10.230 -7.382 -4.738 294 HB3 PHE 512 HB1 PHE 512 -11.353 -8.322 -3.756 295 HD1 PHE 512 HD1 PHE 512 -8.243 -6.221 -3.211 296 HD2 PHE 512 HD2 PHE 512 -12.222 -7.269 -1.962 297 HE1 PHE 512 HE1 PHE 512 -8.141 -4.595 -1.406 298 HE2 PHE 512 HE2 PHE 512 -12.093 -5.606 -0.156 299 HZ PHE 512 HZ PHE 512 -10.053 -4.263 0.125 300 HA PRO 513 HA PRO 513 -11.625 -12.435 -4.860 301 HB2 PRO 513 HB2 PRO 513 -9.292 -12.964 -6.650 302 HB3 PRO 513 HB1 PRO 513 -11.021 -13.143 -6.975 303 HG2 PRO 513 HG2 PRO 513 -9.644 -11.046 -7.936 304 HG3 PRO 513 HG1 PRO 513 -11.319 -10.873 -7.376 305 HD2 PRO 513 HD2 PRO 513 -8.786 -10.036 -5.978 306 HD3 PRO 513 HD1 PRO 513 -10.361 -9.280 -5.903 307 H VAL 514 HN VAL 514 -8.490 -11.903 -3.687 308 HA VAL 514 HA VAL 514 -7.540 -14.404 -3.058 309 HB VAL 514 HB VAL 514 -6.340 -12.177 -2.834 310 HG11 VAL 514 HG11 VAL 514 -7.882 -10.975 -1.456 311 HG12 VAL 514 HG12 VAL 514 -6.337 -11.110 -0.620 312 HG13 VAL 514 HG13 VAL 514 -7.690 -12.146 -0.151 313 HG21 VAL 514 HG21 VAL 514 -4.845 -12.969 -1.053 314 HG22 VAL 514 HG22 VAL 514 -5.269 -14.247 -2.192 315 HG23 VAL 514 HG23 VAL 514 -6.045 -14.184 -0.610 316 H HIS 515 HN HIS 515 -10.244 -13.125 -2.069 317 HA HIS 515 HA HIS 515 -10.839 -15.201 -0.219 318 HB2 HIS 515 HB2 HIS 515 -11.422 -13.849 1.737 319 HB3 HIS 515 HB1 HIS 515 -9.713 -13.687 1.363 320 HD1 HIS 515 HD1 HIS 515 -10.065 -11.490 -0.847 321 HD2 HIS 515 HD2 HIS 515 -11.829 -11.391 2.898 322 HE1 HIS 515 HE1 HIS 515 -10.345 -9.070 -0.328 323 HE2 HIS 515 HE2 HIS 515 -11.758 -9.055 1.776 324 H1 ALA 202 HT1 ALA 202 11.299 0.622 11.347 325 H2 ALA 202 HT2 ALA 202 11.715 2.266 11.287 326 H3 ALA 202 HT3 ALA 202 11.321 1.436 9.861 327 HA ALA 202 HA ALA 202 9.484 2.006 12.110 328 HB1 ALA 202 HB1 ALA 202 8.335 3.471 10.528 329 HB2 ALA 202 HB2 ALA 202 9.547 3.105 9.301 330 HB3 ALA 202 HB3 ALA 202 10.008 3.985 10.759 331 H GLY 203 HN GLY 203 7.314 1.290 11.753 332 HA2 GLY 203 HA2 GLY 203 7.283 -1.234 10.263 333 HA3 GLY 203 HA1 GLY 203 6.128 -0.741 11.494 334 H SEP 204 HN SEP 204 5.898 1.936 10.198 335 HA SEP 204 HA SEP 204 3.831 1.161 8.331 336 HB2 SEP 204 HB2 SEP 204 3.887 3.940 8.512 337 HB3 SEP 204 HB1 SEP 204 2.823 2.839 9.393 338 HA PRO 205 HA PRO 205 6.204 1.793 4.654 339 HB2 PRO 205 HB2 PRO 205 3.916 2.362 3.122 340 HB3 PRO 205 HB1 PRO 205 4.642 0.782 3.370 341 HG2 PRO 205 HG2 PRO 205 2.258 1.949 4.654 342 HG3 PRO 205 HG1 PRO 205 2.670 0.264 4.327 343 HD2 PRO 205 HD2 PRO 205 2.786 1.381 6.788 344 HD3 PRO 205 HD1 PRO 205 3.809 0.027 6.271 345 H ASN 206 HN ASN 206 7.311 3.726 4.864 346 HA ASN 206 HA ASN 206 5.879 6.079 3.833 347 HB2 ASN 206 HB2 ASN 206 6.593 6.474 6.110 348 HB3 ASN 206 HB1 ASN 206 8.252 6.066 5.702 349 HD21 ASN 206 HD21 ASN 206 5.995 8.013 3.814 350 HD22 ASN 206 HD22 ASN 206 6.890 9.487 3.926 351 H LEU 207 HN LEU 207 8.305 3.819 3.214 352 HA LEU 207 HA LEU 207 10.052 5.484 1.713 353 HB2 LEU 207 HB2 LEU 207 11.030 3.392 0.855 354 HB3 LEU 207 HB1 LEU 207 10.937 3.443 2.601 355 HG LEU 207 HG LEU 207 8.869 1.993 0.962 356 HD11 LEU 207 HD11 LEU 207 11.462 0.898 2.044 357 HD12 LEU 207 HD12 LEU 207 11.049 1.098 0.341 358 HD13 LEU 207 HD13 LEU 207 10.158 -0.054 1.336 359 HD21 LEU 207 HD21 LEU 207 8.576 0.716 3.034 360 HD22 LEU 207 HD22 LEU 207 8.312 2.439 3.300 361 HD23 LEU 207 HD23 LEU 207 9.825 1.691 3.811 362 H SEP 208 HN SEP 208 9.263 6.596 0.069 363 HA SEP 208 HA SEP 208 7.231 5.682 -1.693 364 HB2 SEP 208 HB2 SEP 208 9.221 7.912 -2.178 365 HB3 SEP 208 HB1 SEP 208 7.623 7.748 -2.891 366 HA PRO 209 HA PRO 209 9.952 3.203 -4.332 367 HB2 PRO 209 HB2 PRO 209 7.576 2.907 -6.001 368 HB3 PRO 209 HB1 PRO 209 8.497 1.671 -5.143 369 HG2 PRO 209 HG2 PRO 209 5.992 2.462 -4.425 370 HG3 PRO 209 HG1 PRO 209 7.179 1.797 -3.304 371 HD2 PRO 209 HD2 PRO 209 6.312 4.598 -3.698 372 HD3 PRO 209 HD1 PRO 209 6.820 3.778 -2.204 373 H ASN 210 HN ASN 210 10.997 3.696 -6.216 374 HA ASN 210 HA ASN 210 10.348 6.175 -7.548 375 HB2 ASN 210 HB2 ASN 210 12.689 5.690 -7.222 376 HB3 ASN 210 HB1 ASN 210 12.525 4.127 -8.015 377 HD21 ASN 210 HD21 ASN 210 12.466 4.012 -10.225 378 HD22 ASN 210 HD22 ASN 210 12.832 5.354 -11.251 379 HA PRO 211 HA PRO 211 7.754 3.925 -10.418 380 HB2 PRO 211 HB2 PRO 211 7.025 6.479 -11.550 381 HB3 PRO 211 HB1 PRO 211 6.056 5.408 -10.540 382 HG2 PRO 211 HG2 PRO 211 6.969 7.858 -9.731 383 HG3 PRO 211 HG1 PRO 211 6.592 6.526 -8.623 384 HD2 PRO 211 HD2 PRO 211 9.249 7.441 -9.658 385 HD3 PRO 211 HD1 PRO 211 8.802 6.890 -8.028 Start of MODEL 5 1 H GLN 476 HT1 GLN 476 -7.936 -3.251 7.570 2 HA GLN 476 HA GLN 476 -7.720 -0.917 7.328 3 HB2 GLN 476 HB2 GLN 476 -5.730 -1.031 5.876 4 HB3 GLN 476 HB1 GLN 476 -6.732 -1.504 4.527 5 HG2 GLN 476 HG2 GLN 476 -6.040 0.867 4.521 6 HG3 GLN 476 HG1 GLN 476 -7.788 0.637 4.508 7 HE21 GLN 476 HE21 GLN 476 -5.036 1.630 6.438 8 HE22 GLN 476 HE22 GLN 476 -5.959 2.452 7.652 9 H SER 477 HN SER 477 -9.118 0.458 5.855 10 HA SER 477 HA SER 477 -11.609 -1.035 5.805 11 HB2 SER 477 HB2 SER 477 -11.269 1.942 5.467 12 HB3 SER 477 HB1 SER 477 -12.707 1.067 5.997 13 HG SER 477 HG SER 477 -11.863 0.805 7.948 14 H PHE 478 HN PHE 478 -9.538 0.555 3.454 15 HA PHE 478 HA PHE 478 -11.661 0.750 1.387 16 HB2 PHE 478 HB2 PHE 478 -8.864 0.613 0.459 17 HB3 PHE 478 HB1 PHE 478 -10.063 1.842 0.091 18 HD1 PHE 478 HD1 PHE 478 -10.473 2.996 2.885 19 HD2 PHE 478 HD2 PHE 478 -7.026 1.673 0.747 20 HE1 PHE 478 HE1 PHE 478 -8.978 4.191 4.455 21 HE2 PHE 478 HE2 PHE 478 -5.609 2.860 2.247 22 HZ PHE 478 HZ PHE 478 -6.539 4.011 4.096 23 H LEU 479 HN LEU 479 -9.376 -1.414 2.770 24 HA LEU 479 HA LEU 479 -8.165 -1.977 0.186 25 HB2 LEU 479 HB2 LEU 479 -7.350 0.141 1.084 26 HB3 LEU 479 HB1 LEU 479 -6.822 -0.551 2.595 27 HG LEU 479 HG LEU 479 -5.346 -1.990 0.772 28 HD11 LEU 479 HD11 LEU 479 -6.460 -0.587 -1.019 29 HD12 LEU 479 HD12 LEU 479 -4.696 -0.617 -1.032 30 HD13 LEU 479 HD13 LEU 479 -5.547 0.779 -0.365 31 HD21 LEU 479 HD21 LEU 479 -4.611 0.776 1.733 32 HD22 LEU 479 HD22 LEU 479 -3.506 -0.522 1.250 33 HD23 LEU 479 HD23 LEU 479 -4.490 -0.690 2.710 34 HA PRO 480 HA PRO 480 -8.017 -6.083 1.414 35 HB2 PRO 480 HB2 PRO 480 -5.336 -6.495 0.429 36 HB3 PRO 480 HB1 PRO 480 -6.725 -7.045 -0.242 37 HG2 PRO 480 HG2 PRO 480 -5.225 -5.098 -1.338 38 HG3 PRO 480 HG1 PRO 480 -6.938 -5.349 -1.699 39 HD2 PRO 480 HD2 PRO 480 -5.640 -3.252 -0.124 40 HD3 PRO 480 HD1 PRO 480 -7.238 -3.271 -0.884 41 HA PRO 481 HA PRO 481 -5.717 -6.897 5.163 42 HB2 PRO 481 HB2 PRO 481 -5.316 -9.705 4.447 43 HB3 PRO 481 HB1 PRO 481 -6.357 -9.006 5.690 44 HG2 PRO 481 HG2 PRO 481 -7.362 -10.159 3.479 45 HG3 PRO 481 HG1 PRO 481 -8.139 -8.761 4.246 46 HD2 PRO 481 HD2 PRO 481 -6.336 -8.842 1.844 47 HD3 PRO 481 HD1 PRO 481 -7.869 -7.969 2.069 48 H GLY 482 HN GLY 482 -4.009 -6.251 2.747 49 HA2 GLY 482 HA2 GLY 482 -1.495 -7.565 3.614 50 HA3 GLY 482 HA1 GLY 482 -1.791 -6.993 1.944 51 H TRP 483 HN TRP 483 -3.050 -4.838 4.368 52 HA TRP 483 HA TRP 483 -1.256 -3.218 2.734 53 HB2 TRP 483 HB2 TRP 483 -4.244 -3.144 2.759 54 HB3 TRP 483 HB1 TRP 483 -3.206 -1.993 1.898 55 HD1 TRP 483 HD1 TRP 483 -4.602 -5.454 1.583 56 HE1 TRP 483 HE1 TRP 483 -3.595 -6.612 -0.469 57 HE3 TRP 483 HE3 TRP 483 -1.038 -2.102 0.392 58 HZ2 TRP 483 HZ2 TRP 483 -1.785 -6.209 -2.224 59 HZ3 TRP 483 HZ3 TRP 483 0.332 -2.637 -1.523 60 HH2 TRP 483 HH2 TRP 483 -0.015 -4.596 -2.865 61 H GLU 484 HN GLU 484 -0.387 -1.713 3.465 62 HA GLU 484 HA GLU 484 -1.374 -0.233 5.804 63 HB2 GLU 484 HB2 GLU 484 1.169 -1.208 5.193 64 HB3 GLU 484 HB1 GLU 484 1.258 0.464 4.714 65 HG2 GLU 484 HG2 GLU 484 1.911 -0.318 7.105 66 HG3 GLU 484 HG1 GLU 484 1.145 1.236 6.803 67 H MET 485 HN MET 485 -2.657 1.428 5.087 68 HA MET 485 HA MET 485 -1.909 2.831 2.654 69 HB2 MET 485 HB2 MET 485 -4.307 2.432 3.177 70 HB3 MET 485 HB1 MET 485 -4.137 3.479 4.581 71 HG2 MET 485 HG2 MET 485 -3.434 4.463 1.841 72 HG3 MET 485 HG1 MET 485 -5.103 4.453 2.396 73 HE1 MET 485 HE1 MET 485 -5.367 7.017 2.016 74 HE2 MET 485 HE2 MET 485 -3.725 7.076 1.379 75 HE3 MET 485 HE3 MET 485 -4.234 8.228 2.613 76 H ARG 486 HN ARG 486 -0.133 4.006 2.983 77 HA ARG 486 HA ARG 486 -0.271 5.964 5.163 78 HB2 ARG 486 HB2 ARG 486 2.063 4.461 4.047 79 HB3 ARG 486 HB1 ARG 486 2.312 6.071 4.708 80 HG2 ARG 486 HG2 ARG 486 1.081 3.759 6.196 81 HG3 ARG 486 HG1 ARG 486 2.755 4.301 6.350 82 HD2 ARG 486 HD2 ARG 486 1.985 6.480 7.137 83 HD3 ARG 486 HD1 ARG 486 0.309 5.966 6.952 84 HE ARG 486 HE ARG 486 2.214 4.939 8.969 85 HH11 ARG 486 HH11 ARG 486 -1.056 5.437 7.809 86 HH12 ARG 486 HH12 ARG 486 -1.798 4.841 9.262 87 HH21 ARG 486 HH21 ARG 486 1.244 4.200 10.894 88 HH22 ARG 486 HH22 ARG 486 -0.493 4.148 11.024 89 H ILE 487 HN ILE 487 -0.968 7.762 4.328 90 HA ILE 487 HA ILE 487 0.015 8.735 1.759 91 HB ILE 487 HB ILE 487 -2.237 9.163 2.012 92 HG12 ILE 487 HG12 ILE 487 -0.602 11.646 2.631 93 HG13 ILE 487 HG11 ILE 487 -1.101 11.033 1.062 94 HG21 ILE 487 HG21 ILE 487 -1.648 10.200 4.767 95 HG22 ILE 487 HG22 ILE 487 -2.472 8.697 4.332 96 HG23 ILE 487 HG23 ILE 487 -3.224 10.255 3.970 97 HD11 ILE 487 HD11 ILE 487 -2.958 12.127 3.157 98 HD12 ILE 487 HD12 ILE 487 -3.419 11.536 1.559 99 HD13 ILE 487 HD13 ILE 487 -2.406 12.973 1.711 100 H ALA 488 HN ALA 488 1.768 9.772 1.609 101 HA ALA 488 HA ALA 488 3.232 10.148 4.049 102 HB1 ALA 488 HB1 ALA 488 4.103 10.302 1.172 103 HB2 ALA 488 HB2 ALA 488 4.262 8.913 2.248 104 HB3 ALA 488 HB3 ALA 488 5.175 10.387 2.569 105 HA PRO 489 HA PRO 489 2.778 14.549 4.268 106 HB2 PRO 489 HB2 PRO 489 5.715 14.784 4.632 107 HB3 PRO 489 HB1 PRO 489 4.401 15.339 5.674 108 HG2 PRO 489 HG2 PRO 489 5.840 13.200 6.333 109 HG3 PRO 489 HG1 PRO 489 4.090 13.242 6.620 110 HD2 PRO 489 HD2 PRO 489 5.624 11.856 4.455 111 HD3 PRO 489 HD1 PRO 489 4.210 11.294 5.371 112 H ASN 490 HN ASN 490 4.540 13.164 1.753 113 HA ASN 490 HA ASN 490 5.037 15.770 0.501 114 HB2 ASN 490 HB2 ASN 490 6.110 14.110 -1.294 115 HB3 ASN 490 HB1 ASN 490 7.005 14.689 0.102 116 HD21 ASN 490 HD21 ASN 490 7.254 12.213 -1.533 117 HD22 ASN 490 HD22 ASN 490 7.202 10.929 -0.364 118 H GLY 491 HN GLY 491 2.854 13.209 0.617 119 HA2 GLY 491 HA2 GLY 491 0.703 13.590 -0.463 120 HA3 GLY 491 HA1 GLY 491 1.577 14.219 -1.859 121 H ARG 492 HN ARG 492 2.364 11.391 0.030 122 HA ARG 492 HA ARG 492 2.019 9.785 -2.403 123 HB2 ARG 492 HB2 ARG 492 4.263 9.678 -0.394 124 HB3 ARG 492 HB1 ARG 492 4.054 8.551 -1.696 125 HG2 ARG 492 HG2 ARG 492 3.967 11.073 -2.858 126 HG3 ARG 492 HG1 ARG 492 5.303 11.094 -1.699 127 HD2 ARG 492 HD2 ARG 492 6.185 9.053 -2.758 128 HD3 ARG 492 HD1 ARG 492 4.891 9.144 -3.953 129 HE ARG 492 HE ARG 492 6.905 11.285 -3.629 130 HH11 ARG 492 HH11 ARG 492 5.098 9.076 -5.671 131 HH12 ARG 492 HH12 ARG 492 5.721 9.736 -7.154 132 HH21 ARG 492 HH21 ARG 492 7.691 12.178 -5.571 133 HH22 ARG 492 HH22 ARG 492 7.194 11.504 -7.099 134 HA PRO 493 HA PRO 493 -0.026 7.172 0.691 135 HB2 PRO 493 HB2 PRO 493 -2.148 6.886 -1.242 136 HB3 PRO 493 HB1 PRO 493 -2.228 7.602 0.373 137 HG2 PRO 493 HG2 PRO 493 -2.514 9.100 -1.828 138 HG3 PRO 493 HG1 PRO 493 -1.705 9.722 -0.395 139 HD2 PRO 493 HD2 PRO 493 -0.447 8.495 -2.855 140 HD3 PRO 493 HD1 PRO 493 -0.085 10.068 -2.092 141 H PHE 494 HN PHE 494 1.363 5.640 0.541 142 HA PHE 494 HA PHE 494 1.664 4.131 -1.924 143 HB2 PHE 494 HB2 PHE 494 2.835 3.197 0.611 144 HB3 PHE 494 HB1 PHE 494 3.585 3.309 -0.939 145 HD1 PHE 494 HD2 PHE 494 2.854 5.008 2.197 146 HD2 PHE 494 HD1 PHE 494 4.890 5.338 -1.530 147 HE1 PHE 494 HE2 PHE 494 4.161 6.770 3.102 148 HE2 PHE 494 HE1 PHE 494 6.206 7.205 -0.602 149 HZ PHE 494 HZ PHE 494 5.863 7.908 1.739 150 H PHE 495 HN PHE 495 0.187 2.410 -2.124 151 HA PHE 495 HA PHE 495 -1.057 1.414 0.320 152 HB2 PHE 495 HB2 PHE 495 -1.424 0.594 -2.586 153 HB3 PHE 495 HB1 PHE 495 -2.296 -0.113 -1.234 154 HD1 PHE 495 HD2 PHE 495 -2.594 2.599 0.260 155 HD2 PHE 495 HD1 PHE 495 -3.383 1.341 -3.729 156 HE1 PHE 495 HE2 PHE 495 -4.313 4.347 0.048 157 HE2 PHE 495 HE1 PHE 495 -5.097 3.090 -3.945 158 HZ PHE 495 HZ PHE 495 -5.566 4.591 -2.055 159 H TYR 496 HN TYR 496 0.362 0.076 1.437 160 HA TYR 496 HA TYR 496 2.248 -1.483 -0.190 161 HB2 TYR 496 HB2 TYR 496 3.688 -0.209 0.928 162 HB3 TYR 496 HB1 TYR 496 2.609 0.157 2.260 163 HD1 TYR 496 HD2 TYR 496 2.505 -1.492 4.176 164 HD2 TYR 496 HD1 TYR 496 5.305 -1.946 1.000 165 HE1 TYR 496 HE2 TYR 496 3.823 -3.038 5.561 166 HE2 TYR 496 HE1 TYR 496 6.625 -3.483 2.382 167 HH TYR 496 HH TYR 496 6.973 -3.965 4.782 168 H ASP 497 HN ASP 497 2.356 -3.596 -0.110 169 HA ASP 497 HA ASP 497 0.374 -5.087 1.489 170 HB2 ASP 497 HB2 ASP 497 0.662 -5.594 -0.903 171 HB3 ASP 497 HB1 ASP 497 2.350 -6.020 -0.632 172 H HIS 498 HN HIS 498 1.094 -6.386 3.283 173 HA HIS 498 HA HIS 498 3.870 -6.014 4.104 174 HB2 HIS 498 HB2 HIS 498 1.683 -7.438 5.633 175 HB3 HIS 498 HB1 HIS 498 3.224 -6.887 6.269 176 HD1 HIS 498 HD1 HIS 498 1.254 -4.572 4.124 177 HD2 HIS 498 HD2 HIS 498 1.856 -5.289 8.160 178 HE1 HIS 498 HE1 HIS 498 0.049 -2.751 5.295 179 HE2 HIS 498 HE2 HIS 498 0.563 -3.078 7.746 180 H ASN 499 HN ASN 499 2.188 -8.306 2.365 181 HA ASN 499 HA ASN 499 3.562 -10.613 3.508 182 HB2 ASN 499 HB2 ASN 499 1.659 -10.576 1.159 183 HB3 ASN 499 HB1 ASN 499 2.155 -11.973 2.109 184 HD21 ASN 499 HD21 ASN 499 0.072 -9.236 1.910 185 HD22 ASN 499 HD22 ASN 499 -0.863 -9.581 3.327 186 H THR 500 HN THR 500 3.581 -8.555 0.728 187 HA THR 500 HA THR 500 5.886 -10.047 -0.341 188 HB THR 500 HB THR 500 5.372 -8.653 -2.452 189 HG1 THR 500 HG1 THR 500 2.951 -8.342 -0.957 190 HG21 THR 500 HG21 THR 500 4.980 -11.062 -2.307 191 HG22 THR 500 HG22 THR 500 3.686 -10.270 -3.209 192 HG23 THR 500 HG23 THR 500 3.419 -10.770 -1.539 193 H LYS 501 HN LYS 501 4.998 -7.359 1.383 194 HA LYS 501 HA LYS 501 6.017 -5.471 2.090 195 HB2 LYS 501 HB2 LYS 501 8.455 -6.950 1.108 196 HB3 LYS 501 HB1 LYS 501 8.525 -5.450 2.018 197 HG2 LYS 501 HG2 LYS 501 7.336 -6.549 3.875 198 HG3 LYS 501 HG1 LYS 501 7.366 -8.061 2.966 199 HD2 LYS 501 HD2 LYS 501 9.791 -8.056 2.991 200 HD3 LYS 501 HD1 LYS 501 9.798 -6.497 3.821 201 HE2 LYS 501 HE2 LYS 501 8.658 -7.502 5.729 202 HE3 LYS 501 HE1 LYS 501 8.627 -9.057 4.899 203 HZ1 LYS 501 HZ1 LYS 501 11.074 -7.578 5.701 204 HZ2 LYS 501 HZ2 LYS 501 11.035 -9.083 4.922 205 HZ3 LYS 501 HZ3 LYS 501 10.430 -8.928 6.497 206 H THR 502 HN THR 502 4.875 -5.435 -0.484 207 HA THR 502 HA THR 502 6.748 -3.801 -2.035 208 HB THR 502 HB THR 502 5.765 -5.672 -3.271 209 HG1 THR 502 HG1 THR 502 6.078 -4.182 -4.760 210 HG21 THR 502 HG21 THR 502 3.372 -5.694 -3.830 211 HG22 THR 502 HG22 THR 502 3.110 -4.327 -2.747 212 HG23 THR 502 HG23 THR 502 3.634 -5.879 -2.094 213 H THR 503 HN THR 503 6.530 -1.684 -2.100 214 HA THR 503 HA THR 503 4.093 -0.384 -1.189 215 HB THR 503 HB THR 503 5.602 1.675 -1.968 216 HG1 THR 503 HG1 THR 503 7.810 1.167 -1.770 217 HG21 THR 503 HG21 THR 503 6.716 1.652 0.278 218 HG22 THR 503 HG22 THR 503 6.015 0.056 0.539 219 HG23 THR 503 HG23 THR 503 4.967 1.460 0.311 220 H THR 504 HN THR 504 2.496 0.076 -2.643 221 HA THR 504 HA THR 504 3.296 0.551 -5.429 222 HB THR 504 HB THR 504 2.468 -1.819 -5.050 223 HG1 THR 504 HG1 THR 504 2.253 -1.426 -7.132 224 HG21 THR 504 HG21 THR 504 -0.182 -0.427 -4.727 225 HG22 THR 504 HG22 THR 504 0.659 -1.363 -3.493 226 HG23 THR 504 HG23 THR 504 0.050 -2.163 -4.940 227 H TRP 505 HN TRP 505 2.132 2.165 -6.473 228 HA TRP 505 HA TRP 505 0.146 3.534 -4.810 229 HB2 TRP 505 HB2 TRP 505 0.826 4.546 -7.529 230 HB3 TRP 505 HB1 TRP 505 0.472 5.440 -6.061 231 HD1 TRP 505 HD1 TRP 505 3.311 3.982 -8.081 232 HE1 TRP 505 HE1 TRP 505 5.549 4.819 -7.156 233 HE3 TRP 505 HE3 TRP 505 1.706 6.114 -3.631 234 HZ2 TRP 505 HZ2 TRP 505 6.505 6.186 -4.929 235 HZ3 TRP 505 HZ3 TRP 505 3.375 7.154 -2.227 236 HH2 TRP 505 HH2 TRP 505 5.722 7.190 -2.840 237 H GLU 506 HN GLU 506 0.236 1.055 -6.851 238 HA GLU 506 HA GLU 506 -2.083 1.643 -8.498 239 HB2 GLU 506 HB2 GLU 506 -0.362 -0.834 -8.227 240 HB3 GLU 506 HB1 GLU 506 -1.645 -0.622 -9.414 241 HG2 GLU 506 HG2 GLU 506 -0.461 1.019 -10.578 242 HG3 GLU 506 HG1 GLU 506 0.648 1.295 -9.235 243 H ASP 507 HN ASP 507 -4.020 0.406 -8.419 244 HA ASP 507 HA ASP 507 -5.025 0.091 -5.817 245 HB2 ASP 507 HB2 ASP 507 -6.446 0.683 -7.722 246 HB3 ASP 507 HB1 ASP 507 -6.184 -0.912 -8.423 247 HA PRO 508 HA PRO 508 -3.531 -4.110 -5.083 248 HB2 PRO 508 HB2 PRO 508 -4.214 -3.710 -2.367 249 HB3 PRO 508 HB1 PRO 508 -2.607 -3.622 -3.090 250 HG2 PRO 508 HG2 PRO 508 -3.976 -1.492 -2.009 251 HG3 PRO 508 HG1 PRO 508 -2.646 -1.371 -3.164 252 HD2 PRO 508 HD2 PRO 508 -5.574 -1.151 -3.612 253 HD3 PRO 508 HD1 PRO 508 -4.238 -0.249 -4.364 254 H ARG 509 HN ARG 509 -6.488 -2.856 -5.047 255 HA ARG 509 HA ARG 509 -7.741 -4.877 -3.443 256 HB2 ARG 509 HB2 ARG 509 -9.009 -2.594 -4.960 257 HB3 ARG 509 HB1 ARG 509 -9.691 -3.506 -3.613 258 HG2 ARG 509 HG2 ARG 509 -7.796 -2.675 -2.182 259 HG3 ARG 509 HG1 ARG 509 -7.337 -1.639 -3.538 260 HD2 ARG 509 HD2 ARG 509 -10.057 -1.539 -2.251 261 HD3 ARG 509 HD1 ARG 509 -8.713 -0.493 -1.801 262 HE ARG 509 HE ARG 509 -9.036 -0.281 -4.566 263 HH11 ARG 509 HH11 ARG 509 -10.874 0.425 -1.671 264 HH12 ARG 509 HH12 ARG 509 -11.645 1.829 -2.341 265 HH21 ARG 509 HH21 ARG 509 -10.082 1.540 -5.473 266 HH22 ARG 509 HH22 ARG 509 -11.201 2.462 -4.509 267 H LEU 510 HN LEU 510 -6.499 -4.192 -6.365 268 HA LEU 510 HA LEU 510 -8.147 -5.540 -8.063 269 HB2 LEU 510 HB2 LEU 510 -6.337 -5.739 -9.621 270 HB3 LEU 510 HB1 LEU 510 -6.193 -4.195 -8.815 271 HG LEU 510 HG LEU 510 -4.467 -5.388 -7.282 272 HD11 LEU 510 HD11 LEU 510 -4.929 -7.680 -8.008 273 HD12 LEU 510 HD12 LEU 510 -3.253 -7.222 -8.307 274 HD13 LEU 510 HD13 LEU 510 -4.407 -7.263 -9.641 275 HD21 LEU 510 HD21 LEU 510 -3.904 -3.663 -8.917 276 HD22 LEU 510 HD22 LEU 510 -3.799 -4.895 -10.178 277 HD23 LEU 510 HD23 LEU 510 -2.664 -4.914 -8.827 278 H LYS 511 HN LYS 511 -6.091 -6.590 -5.593 279 HA LYS 511 HA LYS 511 -5.480 -9.215 -6.597 280 HB2 LYS 511 HB2 LYS 511 -3.982 -9.374 -4.886 281 HB3 LYS 511 HB1 LYS 511 -4.085 -7.628 -5.027 282 HG2 LYS 511 HG2 LYS 511 -5.801 -7.694 -3.181 283 HG3 LYS 511 HG1 LYS 511 -5.387 -9.396 -2.965 284 HD2 LYS 511 HD2 LYS 511 -3.666 -6.974 -2.554 285 HD3 LYS 511 HD1 LYS 511 -4.090 -8.232 -1.392 286 HE2 LYS 511 HE2 LYS 511 -2.734 -9.856 -2.502 287 HE3 LYS 511 HE1 LYS 511 -2.460 -8.780 -3.869 288 HZ1 LYS 511 HZ1 LYS 511 -0.517 -8.822 -2.499 289 HZ2 LYS 511 HZ2 LYS 511 -1.404 -8.441 -1.106 290 HZ3 LYS 511 HZ3 LYS 511 -1.236 -7.303 -2.342 291 H PHE 512 HN PHE 512 -8.122 -7.928 -5.161 292 HA PHE 512 HA PHE 512 -8.733 -9.297 -3.049 293 HB2 PHE 512 HB2 PHE 512 -10.392 -7.998 -4.974 294 HB3 PHE 512 HB1 PHE 512 -11.216 -9.034 -3.809 295 HD1 PHE 512 HD2 PHE 512 -8.205 -6.770 -3.431 296 HD2 PHE 512 HD1 PHE 512 -12.249 -7.679 -2.287 297 HE1 PHE 512 HE2 PHE 512 -8.131 -5.056 -1.707 298 HE2 PHE 512 HE1 PHE 512 -12.149 -5.930 -0.561 299 HZ PHE 512 HZ PHE 512 -10.089 -4.617 -0.266 300 HA PRO 513 HA PRO 513 -10.590 -13.112 -5.505 301 HB2 PRO 513 HB2 PRO 513 -8.203 -12.937 -7.291 302 HB3 PRO 513 HB1 PRO 513 -9.851 -13.460 -7.663 303 HG2 PRO 513 HG2 PRO 513 -8.970 -11.031 -8.396 304 HG3 PRO 513 HG1 PRO 513 -10.643 -11.285 -7.856 305 HD2 PRO 513 HD2 PRO 513 -8.350 -10.059 -6.338 306 HD3 PRO 513 HD1 PRO 513 -10.048 -9.664 -6.228 307 H VAL 514 HN VAL 514 -7.623 -12.043 -4.199 308 HA VAL 514 HA VAL 514 -6.242 -14.411 -3.816 309 HB VAL 514 HB VAL 514 -5.254 -12.177 -3.414 310 HG11 VAL 514 HG11 VAL 514 -5.625 -10.984 -1.315 311 HG12 VAL 514 HG12 VAL 514 -6.851 -12.173 -0.859 312 HG13 VAL 514 HG13 VAL 514 -7.117 -11.124 -2.250 313 HG21 VAL 514 HG21 VAL 514 -3.920 -12.745 -1.441 314 HG22 VAL 514 HG22 VAL 514 -4.097 -14.112 -2.542 315 HG23 VAL 514 HG23 VAL 514 -5.054 -14.042 -1.062 316 H HIS 515 HN HIS 515 -9.111 -13.650 -2.759 317 HA HIS 515 HA HIS 515 -9.060 -15.634 -0.590 318 HB2 HIS 515 HB2 HIS 515 -10.756 -13.129 -0.698 319 HB3 HIS 515 HB1 HIS 515 -10.924 -14.403 0.506 320 HD1 HIS 515 HD1 HIS 515 -9.326 -11.249 -0.023 321 HD2 HIS 515 HD2 HIS 515 -8.359 -14.747 2.012 322 HE1 HIS 515 HE1 HIS 515 -7.459 -10.634 1.542 323 HE2 HIS 515 HE2 HIS 515 -7.018 -12.715 2.892 324 H1 ALA 202 HT1 ALA 202 6.752 3.296 13.837 325 H2 ALA 202 HT2 ALA 202 5.575 2.624 14.855 326 H3 ALA 202 HT3 ALA 202 5.214 2.921 13.220 327 HA ALA 202 HA ALA 202 7.100 0.911 14.314 328 HB1 ALA 202 HB1 ALA 202 5.608 -0.690 13.238 329 HB2 ALA 202 HB2 ALA 202 4.578 0.629 12.680 330 HB3 ALA 202 HB3 ALA 202 4.731 0.299 14.406 331 H GLY 203 HN GLY 203 7.343 -0.721 12.225 332 HA2 GLY 203 HA2 GLY 203 8.853 0.800 10.291 333 HA3 GLY 203 HA1 GLY 203 8.635 -0.946 10.309 334 H SEP 204 HN SEP 204 6.710 1.988 9.860 335 HA SEP 204 HA SEP 204 4.863 0.611 8.119 336 HB2 SEP 204 HB2 SEP 204 4.035 3.159 8.055 337 HB3 SEP 204 HB1 SEP 204 3.666 2.078 9.400 338 HA PRO 205 HA PRO 205 6.520 1.616 4.182 339 HB2 PRO 205 HB2 PRO 205 4.211 2.251 2.851 340 HB3 PRO 205 HB1 PRO 205 4.676 0.603 3.265 341 HG2 PRO 205 HG2 PRO 205 2.825 2.415 4.739 342 HG3 PRO 205 HG1 PRO 205 2.603 0.723 4.270 343 HD2 PRO 205 HD2 PRO 205 3.350 1.322 6.735 344 HD3 PRO 205 HD1 PRO 205 4.088 -0.056 5.881 345 H ASN 206 HN ASN 206 7.718 3.556 4.557 346 HA ASN 206 HA ASN 206 6.236 5.919 3.622 347 HB2 ASN 206 HB2 ASN 206 6.951 6.365 5.841 348 HB3 ASN 206 HB1 ASN 206 8.590 5.818 5.506 349 HD21 ASN 206 HD21 ASN 206 6.216 8.313 4.902 350 HD22 ASN 206 HD22 ASN 206 7.338 9.544 4.437 351 H LEU 207 HN LEU 207 8.711 3.720 2.916 352 HA LEU 207 HA LEU 207 10.294 5.399 1.264 353 HB2 LEU 207 HB2 LEU 207 11.307 3.377 0.410 354 HB3 LEU 207 HB1 LEU 207 11.157 3.288 2.150 355 HG LEU 207 HG LEU 207 9.175 1.947 0.314 356 HD11 LEU 207 HD11 LEU 207 10.450 -0.112 0.618 357 HD12 LEU 207 HD12 LEU 207 11.707 0.789 1.466 358 HD13 LEU 207 HD13 LEU 207 11.390 1.110 -0.239 359 HD21 LEU 207 HD21 LEU 207 8.478 2.232 2.642 360 HD22 LEU 207 HD22 LEU 207 9.960 1.450 3.188 361 HD23 LEU 207 HD23 LEU 207 8.768 0.532 2.271 362 H SEP 208 HN SEP 208 9.425 6.474 -0.373 363 HA SEP 208 HA SEP 208 7.256 5.511 -1.945 364 HB2 SEP 208 HB2 SEP 208 9.195 7.729 -2.627 365 HB3 SEP 208 HB1 SEP 208 7.565 7.521 -3.258 366 HA PRO 209 HA PRO 209 9.874 3.166 -4.794 367 HB2 PRO 209 HB2 PRO 209 7.615 2.244 -6.198 368 HB3 PRO 209 HB1 PRO 209 8.524 1.367 -4.963 369 HG2 PRO 209 HG2 PRO 209 5.888 2.422 -4.803 370 HG3 PRO 209 HG1 PRO 209 6.800 1.572 -3.557 371 HD2 PRO 209 HD2 PRO 209 6.208 4.402 -3.813 372 HD3 PRO 209 HD1 PRO 209 6.840 3.522 -2.406 373 H ASN 210 HN ASN 210 10.726 3.969 -6.624 374 HA ASN 210 HA ASN 210 9.355 6.049 -8.069 375 HB2 ASN 210 HB2 ASN 210 11.320 6.181 -9.469 376 HB3 ASN 210 HB1 ASN 210 11.839 6.044 -7.796 377 HD21 ASN 210 HD21 ASN 210 11.814 4.599 -10.914 378 HD22 ASN 210 HD22 ASN 210 12.853 3.268 -10.549 379 HA PRO 211 HA PRO 211 7.268 3.104 -10.641 380 HB2 PRO 211 HB2 PRO 211 5.940 5.264 -11.974 381 HB3 PRO 211 HB1 PRO 211 5.303 4.217 -10.706 382 HG2 PRO 211 HG2 PRO 211 5.808 6.914 -10.408 383 HG3 PRO 211 HG1 PRO 211 5.711 5.750 -9.075 384 HD2 PRO 211 HD2 PRO 211 8.124 6.889 -10.429 385 HD3 PRO 211 HD1 PRO 211 7.860 6.527 -8.708 Start of MODEL 6 1 H GLN 476 HT1 GLN 476 -8.929 -3.631 7.855 2 HA GLN 476 HA GLN 476 -8.708 -3.437 5.523 3 HB2 GLN 476 HB2 GLN 476 -10.475 -4.157 3.992 4 HB3 GLN 476 HB1 GLN 476 -9.771 -5.509 4.846 5 HG2 GLN 476 HG2 GLN 476 -12.371 -4.207 5.611 6 HG3 GLN 476 HG1 GLN 476 -12.246 -5.612 4.557 7 HE21 GLN 476 HE21 GLN 476 -11.618 -7.589 5.428 8 HE22 GLN 476 HE22 GLN 476 -11.663 -7.898 7.137 9 H SER 477 HN SER 477 -9.311 -1.569 4.625 10 HA SER 477 HA SER 477 -11.644 -0.210 5.812 11 HB2 SER 477 HB2 SER 477 -9.099 1.114 4.840 12 HB3 SER 477 HB1 SER 477 -10.461 1.905 5.636 13 HG SER 477 HG SER 477 -8.624 1.380 7.018 14 H PHE 478 HN PHE 478 -9.519 0.677 3.109 15 HA PHE 478 HA PHE 478 -11.821 0.962 1.238 16 HB2 PHE 478 HB2 PHE 478 -9.053 0.903 0.168 17 HB3 PHE 478 HB1 PHE 478 -10.274 2.149 -0.077 18 HD1 PHE 478 HD2 PHE 478 -10.694 3.305 2.577 19 HD2 PHE 478 HD1 PHE 478 -7.168 1.750 0.739 20 HE1 PHE 478 HE2 PHE 478 -9.269 4.445 4.248 21 HE2 PHE 478 HE1 PHE 478 -5.808 2.836 2.383 22 HZ PHE 478 HZ PHE 478 -6.820 4.081 4.128 23 H LEU 479 HN LEU 479 -9.693 -1.315 2.539 24 HA LEU 479 HA LEU 479 -8.297 -1.808 0.049 25 HB2 LEU 479 HB2 LEU 479 -7.496 0.270 1.057 26 HB3 LEU 479 HB1 LEU 479 -7.100 -0.468 2.586 27 HG LEU 479 HG LEU 479 -5.541 -1.922 0.845 28 HD11 LEU 479 HD11 LEU 479 -4.721 -0.537 -0.881 29 HD12 LEU 479 HD12 LEU 479 -5.596 0.864 -0.265 30 HD13 LEU 479 HD13 LEU 479 -6.482 -0.478 -1.000 31 HD21 LEU 479 HD21 LEU 479 -4.769 -0.684 2.853 32 HD22 LEU 479 HD22 LEU 479 -4.783 0.802 1.901 33 HD23 LEU 479 HD23 LEU 479 -3.691 -0.525 1.461 34 HA PRO 480 HA PRO 480 -8.277 -5.946 1.286 35 HB2 PRO 480 HB2 PRO 480 -5.570 -6.395 0.411 36 HB3 PRO 480 HB1 PRO 480 -6.947 -6.913 -0.310 37 HG2 PRO 480 HG2 PRO 480 -5.371 -5.008 -1.362 38 HG3 PRO 480 HG1 PRO 480 -7.085 -5.198 -1.761 39 HD2 PRO 480 HD2 PRO 480 -5.748 -3.183 -0.083 40 HD3 PRO 480 HD1 PRO 480 -7.289 -3.093 -0.952 41 HA PRO 481 HA PRO 481 -5.996 -6.795 5.073 42 HB2 PRO 481 HB2 PRO 481 -5.723 -9.624 4.507 43 HB3 PRO 481 HB1 PRO 481 -6.851 -8.820 5.600 44 HG2 PRO 481 HG2 PRO 481 -7.630 -10.073 3.314 45 HG3 PRO 481 HG1 PRO 481 -8.504 -8.703 4.019 46 HD2 PRO 481 HD2 PRO 481 -6.545 -8.735 1.746 47 HD3 PRO 481 HD1 PRO 481 -8.095 -7.875 1.886 48 H GLY 482 HN GLY 482 -4.260 -6.137 2.795 49 HA2 GLY 482 HA2 GLY 482 -1.806 -7.632 3.541 50 HA3 GLY 482 HA1 GLY 482 -2.090 -6.966 1.902 51 H TRP 483 HN TRP 483 -3.240 -4.880 4.436 52 HA TRP 483 HA TRP 483 -1.412 -3.250 2.841 53 HB2 TRP 483 HB2 TRP 483 -4.410 -3.130 2.852 54 HB3 TRP 483 HB1 TRP 483 -3.349 -1.982 2.019 55 HD1 TRP 483 HD1 TRP 483 -4.813 -5.417 1.605 56 HE1 TRP 483 HE1 TRP 483 -3.821 -6.543 -0.478 57 HE3 TRP 483 HE3 TRP 483 -1.252 -2.067 0.497 58 HZ2 TRP 483 HZ2 TRP 483 -2.020 -6.077 -2.289 59 HZ3 TRP 483 HZ3 TRP 483 0.091 -2.526 -1.430 60 HH2 TRP 483 HH2 TRP 483 -0.256 -4.427 -2.861 61 H GLU 484 HN GLU 484 -0.571 -1.674 3.591 62 HA GLU 484 HA GLU 484 -1.659 -0.254 5.945 63 HB2 GLU 484 HB2 GLU 484 1.052 -0.938 5.095 64 HB3 GLU 484 HB1 GLU 484 0.876 0.799 5.278 65 HG2 GLU 484 HG2 GLU 484 0.154 -1.140 7.404 66 HG3 GLU 484 HG1 GLU 484 1.730 -0.481 7.240 67 H MET 485 HN MET 485 -2.884 1.468 5.282 68 HA MET 485 HA MET 485 -2.127 2.831 2.829 69 HB2 MET 485 HB2 MET 485 -4.527 2.529 3.316 70 HB3 MET 485 HB1 MET 485 -4.349 3.484 4.778 71 HG2 MET 485 HG2 MET 485 -3.614 4.614 2.105 72 HG3 MET 485 HG1 MET 485 -5.285 4.605 2.654 73 HE1 MET 485 HE1 MET 485 -4.254 8.349 3.095 74 HE2 MET 485 HE2 MET 485 -5.417 7.230 2.383 75 HE3 MET 485 HE3 MET 485 -3.749 7.248 1.811 76 H ARG 486 HN ARG 486 -0.334 3.915 3.088 77 HA ARG 486 HA ARG 486 -0.170 5.714 5.394 78 HB2 ARG 486 HB2 ARG 486 2.011 4.229 3.945 79 HB3 ARG 486 HB1 ARG 486 2.332 5.563 5.047 80 HG2 ARG 486 HG2 ARG 486 0.842 3.057 5.782 81 HG3 ARG 486 HG1 ARG 486 2.561 3.332 6.087 82 HD2 ARG 486 HD2 ARG 486 0.441 5.218 7.070 83 HD3 ARG 486 HD1 ARG 486 0.934 3.803 7.997 84 HE ARG 486 HE ARG 486 3.190 4.755 8.052 85 HH11 ARG 486 HH11 ARG 486 0.548 6.920 7.225 86 HH12 ARG 486 HH12 ARG 486 1.375 8.333 7.803 87 HH21 ARG 486 HH21 ARG 486 4.253 6.608 8.834 88 HH22 ARG 486 HH22 ARG 486 3.463 8.161 8.737 89 H ILE 487 HN ILE 487 -0.733 7.595 4.748 90 HA ILE 487 HA ILE 487 0.111 8.678 2.178 91 HB ILE 487 HB ILE 487 -2.079 9.179 2.614 92 HG12 ILE 487 HG12 ILE 487 -0.355 11.575 3.350 93 HG13 ILE 487 HG11 ILE 487 -0.900 11.088 1.749 94 HG21 ILE 487 HG21 ILE 487 -2.176 8.549 4.911 95 HG22 ILE 487 HG22 ILE 487 -2.890 10.154 4.718 96 HG23 ILE 487 HG23 ILE 487 -1.267 9.984 5.393 97 HD11 ILE 487 HD11 ILE 487 -2.682 12.041 3.973 98 HD12 ILE 487 HD12 ILE 487 -3.200 11.563 2.354 99 HD13 ILE 487 HD13 ILE 487 -2.173 12.981 2.570 100 H ALA 488 HN ALA 488 1.868 9.678 1.935 101 HA ALA 488 HA ALA 488 3.608 9.878 4.213 102 HB1 ALA 488 HB1 ALA 488 4.379 8.729 2.231 103 HB2 ALA 488 HB2 ALA 488 5.383 10.139 2.568 104 HB3 ALA 488 HB3 ALA 488 4.176 10.200 1.281 105 HA PRO 489 HA PRO 489 3.509 14.282 4.752 106 HB2 PRO 489 HB2 PRO 489 6.481 14.187 4.572 107 HB3 PRO 489 HB1 PRO 489 5.447 14.898 5.817 108 HG2 PRO 489 HG2 PRO 489 6.687 12.591 6.257 109 HG3 PRO 489 HG1 PRO 489 5.025 12.847 6.821 110 HD2 PRO 489 HD2 PRO 489 6.017 11.275 4.484 111 HD3 PRO 489 HD1 PRO 489 4.669 10.930 5.587 112 H ASN 490 HN ASN 490 4.715 12.906 1.844 113 HA ASN 490 HA ASN 490 5.204 15.590 0.716 114 HB2 ASN 490 HB2 ASN 490 5.963 14.151 -1.310 115 HB3 ASN 490 HB1 ASN 490 7.019 14.237 0.100 116 HD21 ASN 490 HD21 ASN 490 7.913 12.226 -0.704 117 HD22 ASN 490 HD22 ASN 490 7.119 10.747 -0.287 118 H GLY 491 HN GLY 491 2.885 13.170 1.029 119 HA2 GLY 491 HA2 GLY 491 0.654 13.554 0.179 120 HA3 GLY 491 HA1 GLY 491 1.372 14.266 -1.264 121 H ARG 492 HN ARG 492 2.729 11.425 0.146 122 HA ARG 492 HA ARG 492 1.829 9.874 -2.185 123 HB2 ARG 492 HB2 ARG 492 4.197 9.415 -0.384 124 HB3 ARG 492 HB1 ARG 492 3.781 8.454 -1.745 125 HG2 ARG 492 HG2 ARG 492 3.973 10.757 -3.011 126 HG3 ARG 492 HG1 ARG 492 5.001 11.092 -1.620 127 HD2 ARG 492 HD2 ARG 492 6.405 9.219 -2.111 128 HD3 ARG 492 HD1 ARG 492 5.350 8.737 -3.441 129 HE ARG 492 HE ARG 492 6.881 11.258 -3.425 130 HH11 ARG 492 HH11 ARG 492 5.706 8.389 -5.031 131 HH12 ARG 492 HH12 ARG 492 6.305 8.854 -6.595 132 HH21 ARG 492 HH21 ARG 492 7.695 11.873 -5.477 133 HH22 ARG 492 HH22 ARG 492 7.450 10.821 -6.835 134 HA PRO 493 HA PRO 493 -0.002 7.207 0.988 135 HB2 PRO 493 HB2 PRO 493 -2.295 7.026 -0.762 136 HB3 PRO 493 HB1 PRO 493 -2.221 7.657 0.886 137 HG2 PRO 493 HG2 PRO 493 -2.676 9.276 -1.186 138 HG3 PRO 493 HG1 PRO 493 -1.708 9.805 0.183 139 HD2 PRO 493 HD2 PRO 493 -0.735 8.672 -2.445 140 HD3 PRO 493 HD1 PRO 493 -0.269 10.206 -1.659 141 H PHE 494 HN PHE 494 1.305 5.622 0.697 142 HA PHE 494 HA PHE 494 1.498 4.286 -1.886 143 HB2 PHE 494 HB2 PHE 494 2.774 3.151 0.528 144 HB3 PHE 494 HB1 PHE 494 3.472 3.398 -1.037 145 HD1 PHE 494 HD2 PHE 494 2.815 4.808 2.220 146 HD2 PHE 494 HD1 PHE 494 4.831 5.507 -1.467 147 HE1 PHE 494 HE2 PHE 494 4.096 6.507 3.280 148 HE2 PHE 494 HE1 PHE 494 6.104 7.300 -0.376 149 HZ PHE 494 HZ PHE 494 5.772 7.776 2.015 150 H PHE 495 HN PHE 495 0.064 2.488 -2.110 151 HA PHE 495 HA PHE 495 -1.193 1.526 0.345 152 HB2 PHE 495 HB2 PHE 495 -1.598 0.727 -2.565 153 HB3 PHE 495 HB1 PHE 495 -2.473 0.017 -1.214 154 HD1 PHE 495 HD2 PHE 495 -2.732 2.658 0.349 155 HD2 PHE 495 HD1 PHE 495 -3.510 1.589 -3.695 156 HE1 PHE 495 HE2 PHE 495 -4.409 4.451 0.204 157 HE2 PHE 495 HE1 PHE 495 -5.187 3.384 -3.850 158 HZ PHE 495 HZ PHE 495 -5.638 4.815 -1.898 159 H TYR 496 HN TYR 496 0.213 0.137 1.461 160 HA TYR 496 HA TYR 496 2.055 -1.449 -0.190 161 HB2 TYR 496 HB2 TYR 496 3.457 -0.116 0.981 162 HB3 TYR 496 HB1 TYR 496 2.424 -0.002 2.397 163 HD1 TYR 496 HD1 TYR 496 5.075 -1.906 0.709 164 HD2 TYR 496 HD2 TYR 496 2.539 -1.774 4.123 165 HE1 TYR 496 HE1 TYR 496 6.526 -3.519 1.844 166 HE2 TYR 496 HE2 TYR 496 3.981 -3.401 5.259 167 HH TYR 496 HH TYR 496 7.083 -4.231 4.098 168 H ASP 497 HN ASP 497 2.140 -3.525 -0.141 169 HA ASP 497 HA ASP 497 0.164 -5.067 1.408 170 HB2 ASP 497 HB2 ASP 497 0.472 -5.458 -1.011 171 HB3 ASP 497 HB1 ASP 497 2.166 -5.859 -0.756 172 H HIS 498 HN HIS 498 0.865 -6.480 3.106 173 HA HIS 498 HA HIS 498 3.711 -6.299 3.818 174 HB2 HIS 498 HB2 HIS 498 1.458 -7.371 5.528 175 HB3 HIS 498 HB1 HIS 498 3.094 -7.010 6.051 176 HD1 HIS 498 HD1 HIS 498 1.044 -4.631 3.985 177 HD2 HIS 498 HD2 HIS 498 2.379 -5.025 7.868 178 HE1 HIS 498 HE1 HIS 498 0.205 -2.639 5.164 179 HE2 HIS 498 HE2 HIS 498 0.799 -3.014 7.572 180 H ASN 499 HN ASN 499 1.724 -8.349 2.167 181 HA ASN 499 HA ASN 499 2.706 -10.858 3.211 182 HB2 ASN 499 HB2 ASN 499 1.395 -10.454 0.516 183 HB3 ASN 499 HB1 ASN 499 1.472 -11.930 1.461 184 HD21 ASN 499 HD21 ASN 499 0.759 -10.355 3.928 185 HD22 ASN 499 HD22 ASN 499 -0.942 -10.117 3.800 186 H THR 500 HN THR 500 3.205 -8.820 0.395 187 HA THR 500 HA THR 500 5.615 -10.360 -0.312 188 HB THR 500 HB THR 500 5.416 -9.147 -2.506 189 HG1 THR 500 HG1 THR 500 2.869 -8.395 -1.424 190 HG21 THR 500 HG21 THR 500 4.595 -11.436 -2.255 191 HG22 THR 500 HG22 THR 500 3.556 -10.513 -3.341 192 HG23 THR 500 HG23 THR 500 3.042 -10.825 -1.682 193 H LYS 501 HN LYS 501 4.633 -7.568 1.208 194 HA LYS 501 HA LYS 501 5.582 -5.625 1.853 195 HB2 LYS 501 HB2 LYS 501 8.140 -6.995 1.024 196 HB3 LYS 501 HB1 LYS 501 8.062 -5.480 1.909 197 HG2 LYS 501 HG2 LYS 501 6.792 -6.684 3.696 198 HG3 LYS 501 HG1 LYS 501 7.136 -8.186 2.837 199 HD2 LYS 501 HD2 LYS 501 9.505 -7.865 3.119 200 HD3 LYS 501 HD1 LYS 501 9.243 -6.269 3.826 201 HE2 LYS 501 HE2 LYS 501 9.687 -7.832 5.595 202 HE3 LYS 501 HE1 LYS 501 7.996 -7.344 5.675 203 HZ1 LYS 501 HZ1 LYS 501 9.126 -9.918 4.766 204 HZ2 LYS 501 HZ2 LYS 501 7.558 -9.447 4.327 205 HZ3 LYS 501 HZ3 LYS 501 7.954 -9.637 5.961 206 H THR 502 HN THR 502 4.401 -5.590 -0.556 207 HA THR 502 HA THR 502 6.180 -4.190 -2.407 208 HB THR 502 HB THR 502 3.320 -5.112 -2.779 209 HG1 THR 502 HG1 THR 502 4.469 -6.952 -2.795 210 HG21 THR 502 HG21 THR 502 5.318 -4.078 -4.795 211 HG22 THR 502 HG22 THR 502 3.882 -3.223 -4.230 212 HG23 THR 502 HG23 THR 502 3.712 -4.709 -5.163 213 H THR 503 HN THR 503 6.291 -2.034 -2.243 214 HA THR 503 HA THR 503 4.035 -0.475 -1.264 215 HB THR 503 HB THR 503 5.762 1.414 -2.054 216 HG1 THR 503 HG1 THR 503 7.421 0.294 -2.864 217 HG21 THR 503 HG21 THR 503 5.003 1.102 0.247 218 HG22 THR 503 HG22 THR 503 6.736 1.415 0.183 219 HG23 THR 503 HG23 THR 503 6.147 -0.223 0.451 220 H THR 504 HN THR 504 2.437 -0.047 -2.692 221 HA THR 504 HA THR 504 3.200 0.431 -5.495 222 HB THR 504 HB THR 504 2.157 -1.851 -5.047 223 HG1 THR 504 HG1 THR 504 0.786 -1.642 -6.927 224 HG21 THR 504 HG21 THR 504 0.453 -1.179 -3.449 225 HG22 THR 504 HG22 THR 504 -0.280 -1.936 -4.863 226 HG23 THR 504 HG23 THR 504 -0.323 -0.182 -4.679 227 H TRP 505 HN TRP 505 1.965 1.986 -6.611 228 HA TRP 505 HA TRP 505 0.057 3.482 -4.942 229 HB2 TRP 505 HB2 TRP 505 0.871 4.465 -7.641 230 HB3 TRP 505 HB1 TRP 505 0.437 5.376 -6.206 231 HD1 TRP 505 HD1 TRP 505 3.371 3.915 -8.060 232 HE1 TRP 505 HE1 TRP 505 5.560 4.736 -6.990 233 HE3 TRP 505 HE3 TRP 505 1.513 6.009 -3.705 234 HZ2 TRP 505 HZ2 TRP 505 6.379 6.095 -4.707 235 HZ3 TRP 505 HZ3 TRP 505 3.091 7.048 -2.193 236 HH2 TRP 505 HH2 TRP 505 5.471 7.086 -2.665 237 H GLU 506 HN GLU 506 0.242 1.079 -7.140 238 HA GLU 506 HA GLU 506 -2.095 1.707 -8.735 239 HB2 GLU 506 HB2 GLU 506 -0.479 -0.844 -8.570 240 HB3 GLU 506 HB1 GLU 506 -1.661 -0.441 -9.807 241 HG2 GLU 506 HG2 GLU 506 0.928 1.015 -9.318 242 HG3 GLU 506 HG1 GLU 506 0.637 -0.165 -10.594 243 H ASP 507 HN ASP 507 -4.027 0.395 -8.688 244 HA ASP 507 HA ASP 507 -4.993 0.157 -6.069 245 HB2 ASP 507 HB2 ASP 507 -6.448 0.634 -7.998 246 HB3 ASP 507 HB1 ASP 507 -6.201 -1.009 -8.583 247 HA PRO 508 HA PRO 508 -3.461 -3.936 -5.035 248 HB2 PRO 508 HB2 PRO 508 -3.738 -3.621 -2.453 249 HB3 PRO 508 HB1 PRO 508 -2.542 -2.641 -3.314 250 HG2 PRO 508 HG2 PRO 508 -5.342 -1.922 -2.517 251 HG3 PRO 508 HG1 PRO 508 -3.850 -1.032 -2.237 252 HD2 PRO 508 HD2 PRO 508 -5.497 -0.461 -4.287 253 HD3 PRO 508 HD1 PRO 508 -3.737 -0.245 -4.384 254 H ARG 509 HN ARG 509 -6.506 -2.790 -5.142 255 HA ARG 509 HA ARG 509 -7.605 -4.746 -3.356 256 HB2 ARG 509 HB2 ARG 509 -8.997 -2.669 -5.049 257 HB3 ARG 509 HB1 ARG 509 -9.662 -3.545 -3.663 258 HG2 ARG 509 HG2 ARG 509 -7.851 -2.551 -2.240 259 HG3 ARG 509 HG1 ARG 509 -7.401 -1.563 -3.642 260 HD2 ARG 509 HD2 ARG 509 -10.101 -1.505 -2.305 261 HD3 ARG 509 HD1 ARG 509 -8.826 -0.308 -2.109 262 HE ARG 509 HE ARG 509 -9.128 -0.237 -4.747 263 HH11 ARG 509 HH11 ARG 509 -11.555 -0.309 -2.205 264 HH12 ARG 509 HH12 ARG 509 -12.720 0.593 -3.127 265 HH21 ARG 509 HH21 ARG 509 -10.673 0.969 -5.940 266 HH22 ARG 509 HH22 ARG 509 -12.224 1.311 -5.232 267 H LEU 510 HN LEU 510 -6.377 -4.259 -6.289 268 HA LEU 510 HA LEU 510 -7.956 -5.900 -7.828 269 HB2 LEU 510 HB2 LEU 510 -6.458 -5.684 -9.538 270 HB3 LEU 510 HB1 LEU 510 -6.067 -4.295 -8.565 271 HG LEU 510 HG LEU 510 -4.021 -5.144 -9.332 272 HD11 LEU 510 HD11 LEU 510 -4.045 -6.427 -6.641 273 HD12 LEU 510 HD12 LEU 510 -4.167 -4.679 -6.829 274 HD13 LEU 510 HD13 LEU 510 -2.757 -5.538 -7.448 275 HD21 LEU 510 HD21 LEU 510 -3.289 -7.461 -9.122 276 HD22 LEU 510 HD22 LEU 510 -4.739 -7.306 -10.115 277 HD23 LEU 510 HD23 LEU 510 -4.864 -7.893 -8.456 278 H LYS 511 HN LYS 511 -5.716 -6.584 -5.347 279 HA LYS 511 HA LYS 511 -5.129 -9.285 -6.167 280 HB2 LYS 511 HB2 LYS 511 -3.804 -9.508 -4.132 281 HB3 LYS 511 HB1 LYS 511 -3.347 -8.096 -5.059 282 HG2 LYS 511 HG2 LYS 511 -3.340 -7.122 -3.054 283 HG3 LYS 511 HG1 LYS 511 -5.070 -6.968 -3.347 284 HD2 LYS 511 HD2 LYS 511 -4.591 -7.789 -1.100 285 HD3 LYS 511 HD1 LYS 511 -5.489 -8.973 -2.049 286 HE2 LYS 511 HE2 LYS 511 -3.632 -9.977 -0.722 287 HE3 LYS 511 HE1 LYS 511 -3.485 -10.258 -2.454 288 HZ1 LYS 511 HZ1 LYS 511 -1.351 -9.666 -1.689 289 HZ2 LYS 511 HZ2 LYS 511 -1.916 -8.360 -0.779 290 HZ3 LYS 511 HZ3 LYS 511 -1.928 -8.283 -2.475 291 H PHE 512 HN PHE 512 -7.701 -7.852 -4.777 292 HA PHE 512 HA PHE 512 -8.515 -9.203 -2.708 293 HB2 PHE 512 HB2 PHE 512 -9.946 -7.928 -4.820 294 HB3 PHE 512 HB1 PHE 512 -10.900 -9.001 -3.801 295 HD1 PHE 512 HD2 PHE 512 -8.171 -6.424 -3.205 296 HD2 PHE 512 HD1 PHE 512 -12.085 -7.927 -2.223 297 HE1 PHE 512 HE2 PHE 512 -8.445 -4.724 -1.478 298 HE2 PHE 512 HE1 PHE 512 -12.322 -6.183 -0.509 299 HZ PHE 512 HZ PHE 512 -10.504 -4.575 -0.136 300 HA PRO 513 HA PRO 513 -10.246 -12.936 -5.443 301 HB2 PRO 513 HB2 PRO 513 -7.717 -12.722 -7.022 302 HB3 PRO 513 HB1 PRO 513 -9.328 -13.234 -7.542 303 HG2 PRO 513 HG2 PRO 513 -8.416 -10.780 -8.116 304 HG3 PRO 513 HG1 PRO 513 -10.120 -11.052 -7.694 305 HD2 PRO 513 HD2 PRO 513 -7.934 -9.880 -5.990 306 HD3 PRO 513 HD1 PRO 513 -9.641 -9.504 -5.965 307 H VAL 514 HN VAL 514 -7.372 -12.040 -3.829 308 HA VAL 514 HA VAL 514 -6.041 -14.431 -3.531 309 HB VAL 514 HB VAL 514 -5.069 -12.298 -2.844 310 HG11 VAL 514 HG11 VAL 514 -5.705 -11.245 -0.704 311 HG12 VAL 514 HG12 VAL 514 -7.066 -12.364 -0.598 312 HG13 VAL 514 HG13 VAL 514 -6.985 -11.200 -1.916 313 HG21 VAL 514 HG21 VAL 514 -4.017 -12.981 -0.740 314 HG22 VAL 514 HG22 VAL 514 -4.064 -14.291 -1.918 315 HG23 VAL 514 HG23 VAL 514 -5.208 -14.271 -0.576 316 H HIS 515 HN HIS 515 -8.975 -13.733 -2.591 317 HA HIS 515 HA HIS 515 -9.598 -16.273 -1.715 318 HB2 HIS 515 HB2 HIS 515 -10.263 -15.885 0.663 319 HB3 HIS 515 HB1 HIS 515 -8.529 -15.885 0.394 320 HD1 HIS 515 HD1 HIS 515 -7.247 -13.800 1.035 321 HD2 HIS 515 HD2 HIS 515 -11.368 -13.359 1.353 322 HE1 HIS 515 HE1 HIS 515 -7.603 -11.580 2.147 323 HE2 HIS 515 HE2 HIS 515 -10.109 -11.305 2.287 324 H1 ALA 202 HT1 ALA 202 8.270 6.099 10.785 325 H2 ALA 202 HT2 ALA 202 7.980 4.706 11.699 326 H3 ALA 202 HT3 ALA 202 7.244 4.894 10.184 327 HA ALA 202 HA ALA 202 9.409 4.840 9.110 328 HB1 ALA 202 HB1 ALA 202 10.686 5.737 10.998 329 HB2 ALA 202 HB2 ALA 202 11.383 4.236 10.390 330 HB3 ALA 202 HB3 ALA 202 10.437 4.229 11.879 331 H GLY 203 HN GLY 203 8.159 2.829 11.750 332 HA2 GLY 203 HA2 GLY 203 9.026 0.346 10.665 333 HA3 GLY 203 HA1 GLY 203 7.769 0.566 11.875 334 H SEP 204 HN SEP 204 6.199 2.331 10.182 335 HA SEP 204 HA SEP 204 4.845 0.358 8.572 336 HB2 SEP 204 HB2 SEP 204 3.193 2.148 8.208 337 HB3 SEP 204 HB1 SEP 204 3.592 2.024 9.915 338 HA PRO 205 HA PRO 205 6.551 1.264 4.583 339 HB2 PRO 205 HB2 PRO 205 4.251 1.797 3.129 340 HB3 PRO 205 HB1 PRO 205 4.916 0.192 3.442 341 HG2 PRO 205 HG2 PRO 205 2.686 1.616 4.854 342 HG3 PRO 205 HG1 PRO 205 2.848 -0.091 4.425 343 HD2 PRO 205 HD2 PRO 205 3.250 0.774 6.911 344 HD3 PRO 205 HD1 PRO 205 4.217 -0.550 6.208 345 H ASN 206 HN ASN 206 7.640 3.218 4.773 346 HA ASN 206 HA ASN 206 6.109 5.526 3.785 347 HB2 ASN 206 HB2 ASN 206 6.907 5.996 6.007 348 HB3 ASN 206 HB1 ASN 206 8.549 5.544 5.567 349 HD21 ASN 206 HD21 ASN 206 6.290 7.493 3.671 350 HD22 ASN 206 HD22 ASN 206 7.235 8.938 3.707 351 H LEU 207 HN LEU 207 8.559 3.304 3.116 352 HA LEU 207 HA LEU 207 10.277 4.849 1.527 353 HB2 LEU 207 HB2 LEU 207 11.005 2.745 0.501 354 HB3 LEU 207 HB1 LEU 207 10.949 2.651 2.246 355 HG LEU 207 HG LEU 207 8.689 1.581 0.570 356 HD11 LEU 207 HD11 LEU 207 9.768 -0.609 0.660 357 HD12 LEU 207 HD12 LEU 207 11.197 0.123 1.393 358 HD13 LEU 207 HD13 LEU 207 10.736 0.546 -0.256 359 HD21 LEU 207 HD21 LEU 207 8.284 1.833 2.967 360 HD22 LEU 207 HD22 LEU 207 9.736 0.896 3.318 361 HD23 LEU 207 HD23 LEU 207 8.365 0.128 2.519 362 H SEP 208 HN SEP 208 9.339 6.207 0.118 363 HA SEP 208 HA SEP 208 7.288 5.533 -1.714 364 HB2 SEP 208 HB2 SEP 208 9.384 7.680 -1.985 365 HB3 SEP 208 HB1 SEP 208 7.829 7.665 -2.788 366 HA PRO 209 HA PRO 209 10.037 3.443 -4.642 367 HB2 PRO 209 HB2 PRO 209 7.766 2.553 -6.100 368 HB3 PRO 209 HB1 PRO 209 8.781 1.608 -5.011 369 HG2 PRO 209 HG2 PRO 209 6.111 2.337 -4.589 370 HG3 PRO 209 HG1 PRO 209 7.222 1.668 -3.392 371 HD2 PRO 209 HD2 PRO 209 6.325 4.447 -3.789 372 HD3 PRO 209 HD1 PRO 209 6.885 3.649 -2.305 373 H ASN 210 HN ASN 210 10.928 4.685 -6.170 374 HA ASN 210 HA ASN 210 9.306 6.501 -7.755 375 HB2 ASN 210 HB2 ASN 210 12.248 6.023 -7.455 376 HB3 ASN 210 HB1 ASN 210 11.655 6.839 -8.897 377 HD21 ASN 210 HD21 ASN 210 12.654 8.748 -8.400 378 HD22 ASN 210 HD22 ASN 210 12.125 9.779 -7.111 379 HA PRO 211 HA PRO 211 9.044 3.231 -10.803 380 HB2 PRO 211 HB2 PRO 211 6.758 4.323 -11.951 381 HB3 PRO 211 HB1 PRO 211 6.784 3.166 -10.621 382 HG2 PRO 211 HG2 PRO 211 5.949 5.891 -10.545 383 HG3 PRO 211 HG1 PRO 211 6.054 4.753 -9.193 384 HD2 PRO 211 HD2 PRO 211 7.931 6.886 -10.017 385 HD3 PRO 211 HD1 PRO 211 7.683 6.150 -8.419 Start of MODEL 7 1 H GLN 476 HT1 GLN 476 -7.214 -1.239 8.586 2 HA GLN 476 HA GLN 476 -8.987 0.163 7.861 3 HB2 GLN 476 HB2 GLN 476 -8.042 0.970 5.772 4 HB3 GLN 476 HB1 GLN 476 -6.759 0.532 6.888 5 HG2 GLN 476 HG2 GLN 476 -7.718 -1.303 4.720 6 HG3 GLN 476 HG1 GLN 476 -6.446 -0.110 4.474 7 HE21 GLN 476 HE21 GLN 476 -4.484 -0.355 5.564 8 HE22 GLN 476 HE22 GLN 476 -3.988 -1.892 6.187 9 H SER 477 HN SER 477 -10.516 0.706 6.152 10 HA SER 477 HA SER 477 -12.085 -1.695 5.648 11 HB2 SER 477 HB2 SER 477 -12.931 1.197 5.461 12 HB3 SER 477 HB1 SER 477 -13.984 -0.216 5.504 13 HG SER 477 HG SER 477 -13.875 0.682 7.564 14 H PHE 478 HN PHE 478 -10.096 0.360 3.806 15 HA PHE 478 HA PHE 478 -11.789 0.693 1.436 16 HB2 PHE 478 HB2 PHE 478 -8.926 0.369 0.869 17 HB3 PHE 478 HB1 PHE 478 -9.964 1.704 0.421 18 HD1 PHE 478 HD2 PHE 478 -10.504 2.540 3.431 19 HD2 PHE 478 HD1 PHE 478 -7.049 1.574 1.125 20 HE1 PHE 478 HE2 PHE 478 -9.024 3.665 5.062 21 HE2 PHE 478 HE1 PHE 478 -5.655 2.626 2.725 22 HZ PHE 478 HZ PHE 478 -6.586 3.575 4.659 23 H LEU 479 HN LEU 479 -9.558 -1.506 2.944 24 HA LEU 479 HA LEU 479 -8.349 -2.131 0.358 25 HB2 LEU 479 HB2 LEU 479 -7.534 -0.024 1.371 26 HB3 LEU 479 HB1 LEU 479 -6.945 -0.839 2.797 27 HG LEU 479 HG LEU 479 -5.587 -2.155 0.796 28 HD11 LEU 479 HD11 LEU 479 -5.653 0.695 -0.104 29 HD12 LEU 479 HD12 LEU 479 -6.804 -0.479 -0.752 30 HD13 LEU 479 HD13 LEU 479 -5.070 -0.731 -0.970 31 HD21 LEU 479 HD21 LEU 479 -4.634 -1.047 2.803 32 HD22 LEU 479 HD22 LEU 479 -4.758 0.500 1.961 33 HD23 LEU 479 HD23 LEU 479 -3.700 -0.769 1.329 34 HA PRO 480 HA PRO 480 -8.075 -6.259 1.666 35 HB2 PRO 480 HB2 PRO 480 -5.402 -6.554 0.630 36 HB3 PRO 480 HB1 PRO 480 -6.773 -7.211 0.033 37 HG2 PRO 480 HG2 PRO 480 -5.469 -5.262 -1.234 38 HG3 PRO 480 HG1 PRO 480 -7.198 -5.564 -1.441 39 HD2 PRO 480 HD2 PRO 480 -5.819 -3.415 0.028 40 HD3 PRO 480 HD1 PRO 480 -7.431 -3.433 -0.706 41 HA PRO 481 HA PRO 481 -5.529 -6.840 5.311 42 HB2 PRO 481 HB2 PRO 481 -5.340 -9.704 4.835 43 HB3 PRO 481 HB1 PRO 481 -6.307 -8.839 6.031 44 HG2 PRO 481 HG2 PRO 481 -7.408 -10.157 3.933 45 HG3 PRO 481 HG1 PRO 481 -8.141 -8.714 4.656 46 HD2 PRO 481 HD2 PRO 481 -6.470 -8.947 2.174 47 HD3 PRO 481 HD1 PRO 481 -7.967 -8.025 2.442 48 H GLY 482 HN GLY 482 -3.994 -6.262 2.877 49 HA2 GLY 482 HA2 GLY 482 -1.521 -7.822 3.410 50 HA3 GLY 482 HA1 GLY 482 -1.917 -7.113 1.812 51 H TRP 483 HN TRP 483 -2.886 -5.067 4.356 52 HA TRP 483 HA TRP 483 -1.028 -3.447 2.806 53 HB2 TRP 483 HB2 TRP 483 -4.016 -3.189 2.925 54 HB3 TRP 483 HB1 TRP 483 -2.926 -2.082 2.077 55 HD1 TRP 483 HD1 TRP 483 -4.603 -5.422 1.635 56 HE1 TRP 483 HE1 TRP 483 -3.830 -6.495 -0.543 57 HE3 TRP 483 HE3 TRP 483 -0.892 -2.261 0.427 58 HZ2 TRP 483 HZ2 TRP 483 -2.102 -6.121 -2.403 59 HZ3 TRP 483 HZ3 TRP 483 0.304 -2.752 -1.590 60 HH2 TRP 483 HH2 TRP 483 -0.263 -4.588 -3.052 61 H GLU 484 HN GLU 484 -0.524 -1.573 3.338 62 HA GLU 484 HA GLU 484 -1.516 -0.384 5.842 63 HB2 GLU 484 HB2 GLU 484 0.777 -1.456 6.102 64 HB3 GLU 484 HB1 GLU 484 1.369 -0.329 4.917 65 HG2 GLU 484 HG2 GLU 484 1.786 0.149 7.345 66 HG3 GLU 484 HG1 GLU 484 1.181 1.466 6.336 67 H MET 485 HN MET 485 -2.623 1.327 5.096 68 HA MET 485 HA MET 485 -1.770 2.613 2.626 69 HB2 MET 485 HB2 MET 485 -4.161 2.102 2.968 70 HB3 MET 485 HB1 MET 485 -4.174 3.197 4.344 71 HG2 MET 485 HG2 MET 485 -3.323 4.164 1.642 72 HG3 MET 485 HG1 MET 485 -5.030 4.027 2.051 73 HE1 MET 485 HE1 MET 485 -3.940 6.761 1.099 74 HE2 MET 485 HE2 MET 485 -4.602 7.864 2.307 75 HE3 MET 485 HE3 MET 485 -5.583 6.535 1.692 76 H ARG 486 HN ARG 486 -0.040 3.886 3.068 77 HA ARG 486 HA ARG 486 -0.456 5.868 5.198 78 HB2 ARG 486 HB2 ARG 486 2.248 5.178 4.055 79 HB3 ARG 486 HB1 ARG 486 1.887 6.059 5.525 80 HG2 ARG 486 HG2 ARG 486 1.489 3.121 5.038 81 HG3 ARG 486 HG1 ARG 486 2.693 3.877 6.081 82 HD2 ARG 486 HD2 ARG 486 -0.228 4.338 6.516 83 HD3 ARG 486 HD1 ARG 486 0.551 2.882 7.127 84 HE ARG 486 HE ARG 486 1.971 5.219 7.920 85 HH11 ARG 486 HH11 ARG 486 -0.836 3.246 8.605 86 HH12 ARG 486 HH12 ARG 486 -0.955 3.751 10.267 87 HH21 ARG 486 HH21 ARG 486 1.871 5.853 10.109 88 HH22 ARG 486 HH22 ARG 486 0.592 5.254 11.128 89 H ILE 487 HN ILE 487 -1.098 7.667 4.391 90 HA ILE 487 HA ILE 487 -0.172 8.634 1.806 91 HB ILE 487 HB ILE 487 -2.421 9.021 2.051 92 HG12 ILE 487 HG12 ILE 487 -0.851 11.536 2.716 93 HG13 ILE 487 HG11 ILE 487 -1.361 10.947 1.140 94 HG21 ILE 487 HG21 ILE 487 -1.884 10.037 4.827 95 HG22 ILE 487 HG22 ILE 487 -2.642 8.507 4.373 96 HG23 ILE 487 HG23 ILE 487 -3.455 10.037 4.024 97 HD11 ILE 487 HD11 ILE 487 -2.713 12.830 1.834 98 HD12 ILE 487 HD12 ILE 487 -3.203 11.959 3.289 99 HD13 ILE 487 HD13 ILE 487 -3.688 11.365 1.699 100 H ALA 488 HN ALA 488 1.578 9.660 1.641 101 HA ALA 488 HA ALA 488 3.042 10.063 4.078 102 HB1 ALA 488 HB1 ALA 488 3.916 10.176 1.200 103 HB2 ALA 488 HB2 ALA 488 4.076 8.805 2.297 104 HB3 ALA 488 HB3 ALA 488 4.987 10.283 2.598 105 HA PRO 489 HA PRO 489 2.659 14.469 4.216 106 HB2 PRO 489 HB2 PRO 489 5.601 14.597 4.611 107 HB3 PRO 489 HB1 PRO 489 4.295 15.242 5.613 108 HG2 PRO 489 HG2 PRO 489 5.598 13.067 6.380 109 HG3 PRO 489 HG1 PRO 489 3.838 13.174 6.581 110 HD2 PRO 489 HD2 PRO 489 5.421 11.712 4.498 111 HD3 PRO 489 HD1 PRO 489 3.972 11.192 5.385 112 H ASN 490 HN ASN 490 4.218 13.030 1.615 113 HA ASN 490 HA ASN 490 4.778 15.669 0.425 114 HB2 ASN 490 HB2 ASN 490 5.991 14.420 -1.338 115 HB3 ASN 490 HB1 ASN 490 6.660 14.132 0.265 116 HD21 ASN 490 HD21 ASN 490 7.082 12.429 -1.948 117 HD22 ASN 490 HD22 ASN 490 6.362 10.919 -1.562 118 H GLY 491 HN GLY 491 2.504 13.184 0.598 119 HA2 GLY 491 HA2 GLY 491 0.339 13.583 -0.424 120 HA3 GLY 491 HA1 GLY 491 1.177 14.197 -1.844 121 H ARG 492 HN ARG 492 2.211 11.373 -0.095 122 HA ARG 492 HA ARG 492 1.542 9.756 -2.459 123 HB2 ARG 492 HB2 ARG 492 3.967 9.653 -0.675 124 HB3 ARG 492 HB1 ARG 492 3.612 8.465 -1.887 125 HG2 ARG 492 HG2 ARG 492 3.463 10.987 -3.108 126 HG3 ARG 492 HG1 ARG 492 4.943 10.921 -2.142 127 HD2 ARG 492 HD2 ARG 492 5.578 8.863 -3.300 128 HD3 ARG 492 HD1 ARG 492 4.119 8.978 -4.285 129 HE ARG 492 HE ARG 492 5.611 11.378 -4.467 130 HH11 ARG 492 HH11 ARG 492 5.693 8.047 -5.554 131 HH12 ARG 492 HH12 ARG 492 6.588 8.406 -7.001 132 HH21 ARG 492 HH21 ARG 492 6.743 11.850 -6.393 133 HH22 ARG 492 HH22 ARG 492 7.156 10.567 -7.491 134 HA PRO 493 HA PRO 493 -0.202 7.065 0.744 135 HB2 PRO 493 HB2 PRO 493 -2.404 6.687 -1.079 136 HB3 PRO 493 HB1 PRO 493 -2.431 7.401 0.538 137 HG2 PRO 493 HG2 PRO 493 -2.892 8.882 -1.649 138 HG3 PRO 493 HG1 PRO 493 -2.037 9.542 -0.258 139 HD2 PRO 493 HD2 PRO 493 -0.855 8.360 -2.777 140 HD3 PRO 493 HD1 PRO 493 -0.522 9.950 -2.035 141 H PHE 494 HN PHE 494 1.195 5.543 0.561 142 HA PHE 494 HA PHE 494 1.506 4.111 -1.951 143 HB2 PHE 494 HB2 PHE 494 2.769 3.135 0.535 144 HB3 PHE 494 HB1 PHE 494 3.476 3.326 -1.031 145 HD1 PHE 494 HD1 PHE 494 2.682 4.952 2.125 146 HD2 PHE 494 HD2 PHE 494 4.755 5.353 -1.561 147 HE1 PHE 494 HE1 PHE 494 3.952 6.705 3.078 148 HE2 PHE 494 HE2 PHE 494 6.024 7.240 -0.604 149 HZ PHE 494 HZ PHE 494 5.651 7.895 1.751 150 H PHE 495 HN PHE 495 0.089 2.363 -2.185 151 HA PHE 495 HA PHE 495 -1.138 1.308 0.245 152 HB2 PHE 495 HB2 PHE 495 -1.485 0.458 -2.668 153 HB3 PHE 495 HB1 PHE 495 -2.428 -0.135 -1.308 154 HD1 PHE 495 HD1 PHE 495 -3.687 1.709 0.066 155 HD2 PHE 495 HD2 PHE 495 -2.321 2.196 -3.938 156 HE1 PHE 495 HE1 PHE 495 -5.304 3.532 -0.262 157 HE2 PHE 495 HE2 PHE 495 -3.933 4.019 -4.267 158 HZ PHE 495 HZ PHE 495 -5.426 4.693 -2.430 159 H TYR 496 HN TYR 496 0.433 0.012 1.307 160 HA TYR 496 HA TYR 496 2.259 -1.517 -0.415 161 HB2 TYR 496 HB2 TYR 496 3.651 -0.107 0.655 162 HB3 TYR 496 HB1 TYR 496 2.681 0.041 2.108 163 HD1 TYR 496 HD1 TYR 496 5.321 -1.840 0.365 164 HD2 TYR 496 HD2 TYR 496 3.013 -1.610 3.934 165 HE1 TYR 496 HE1 TYR 496 6.924 -3.302 1.489 166 HE2 TYR 496 HE2 TYR 496 4.616 -3.097 5.066 167 HH TYR 496 HH TYR 496 6.310 -4.842 4.397 168 H ASP 497 HN ASP 497 2.432 -3.614 -0.351 169 HA ASP 497 HA ASP 497 0.382 -5.164 1.131 170 HB2 ASP 497 HB2 ASP 497 0.963 -5.347 -1.386 171 HB3 ASP 497 HB1 ASP 497 2.429 -6.183 -0.887 172 H HIS 498 HN HIS 498 1.067 -6.887 2.580 173 HA HIS 498 HA HIS 498 3.848 -6.643 3.511 174 HB2 HIS 498 HB2 HIS 498 1.427 -7.641 5.038 175 HB3 HIS 498 HB1 HIS 498 3.060 -7.524 5.684 176 HD1 HIS 498 HD1 HIS 498 1.853 -4.750 3.553 177 HD2 HIS 498 HD2 HIS 498 2.088 -5.605 7.599 178 HE1 HIS 498 HE1 HIS 498 1.341 -2.624 4.693 179 HE2 HIS 498 HE2 HIS 498 1.212 -3.219 7.145 180 H ASN 499 HN ASN 499 4.714 -8.034 2.046 181 HA ASN 499 HA ASN 499 4.844 -10.747 2.886 182 HB2 ASN 499 HB2 ASN 499 4.296 -11.594 0.472 183 HB3 ASN 499 HB1 ASN 499 2.986 -11.305 1.607 184 HD21 ASN 499 HD21 ASN 499 1.484 -11.019 -0.013 185 HD22 ASN 499 HD22 ASN 499 1.439 -9.590 -0.995 186 H THR 500 HN THR 500 5.348 -9.271 -0.319 187 HA THR 500 HA THR 500 8.188 -9.936 -0.117 188 HB THR 500 HB THR 500 8.063 -9.025 -2.583 189 HG1 THR 500 HG1 THR 500 5.947 -8.274 -2.595 190 HG21 THR 500 HG21 THR 500 6.866 -11.664 -1.730 191 HG22 THR 500 HG22 THR 500 8.580 -11.326 -1.973 192 HG23 THR 500 HG23 THR 500 7.469 -11.288 -3.342 193 H LYS 501 HN LYS 501 6.684 -7.609 1.194 194 HA LYS 501 HA LYS 501 7.117 -5.462 1.817 195 HB2 LYS 501 HB2 LYS 501 9.777 -5.731 0.420 196 HB3 LYS 501 HB1 LYS 501 9.375 -4.688 1.771 197 HG2 LYS 501 HG2 LYS 501 9.463 -7.695 1.904 198 HG3 LYS 501 HG1 LYS 501 10.770 -6.622 2.404 199 HD2 LYS 501 HD2 LYS 501 8.022 -6.325 3.560 200 HD3 LYS 501 HD1 LYS 501 9.125 -7.549 4.181 201 HE2 LYS 501 HE2 LYS 501 9.333 -5.592 5.548 202 HE3 LYS 501 HE1 LYS 501 10.799 -5.753 4.587 203 HZ1 LYS 501 HZ1 LYS 501 8.534 -3.954 3.909 204 HZ2 LYS 501 HZ2 LYS 501 10.035 -4.045 3.116 205 HZ3 LYS 501 HZ3 LYS 501 9.950 -3.462 4.702 206 H THR 502 HN THR 502 5.498 -5.514 -0.256 207 HA THR 502 HA THR 502 6.732 -4.117 -2.509 208 HB THR 502 HB THR 502 4.048 -5.491 -2.305 209 HG1 THR 502 HG1 THR 502 6.498 -6.243 -3.571 210 HG21 THR 502 HG21 THR 502 3.953 -5.264 -4.731 211 HG22 THR 502 HG22 THR 502 5.479 -4.382 -4.725 212 HG23 THR 502 HG23 THR 502 4.048 -3.676 -3.970 213 H THR 503 HN THR 503 6.722 -1.967 -2.212 214 HA THR 503 HA THR 503 4.322 -0.577 -1.321 215 HB THR 503 HB THR 503 5.916 1.413 -2.175 216 HG1 THR 503 HG1 THR 503 8.103 0.821 -1.780 217 HG21 THR 503 HG21 THR 503 6.877 1.552 0.105 218 HG22 THR 503 HG22 THR 503 6.222 -0.047 0.445 219 HG23 THR 503 HG23 THR 503 5.138 1.300 0.090 220 H THR 504 HN THR 504 2.778 0.047 -2.734 221 HA THR 504 HA THR 504 3.502 0.514 -5.522 222 HB THR 504 HB THR 504 2.668 -1.959 -4.886 223 HG1 THR 504 HG1 THR 504 1.946 -0.484 -7.234 224 HG21 THR 504 HG21 THR 504 0.102 -0.476 -5.459 225 HG22 THR 504 HG22 THR 504 0.528 -1.286 -3.950 226 HG23 THR 504 HG23 THR 504 0.286 -2.229 -5.421 227 H TRP 505 HN TRP 505 1.958 1.855 -6.637 228 HA TRP 505 HA TRP 505 0.143 3.261 -4.787 229 HB2 TRP 505 HB2 TRP 505 0.691 4.242 -7.561 230 HB3 TRP 505 HB1 TRP 505 0.329 5.163 -6.110 231 HD1 TRP 505 HD1 TRP 505 3.181 3.726 -8.119 232 HE1 TRP 505 HE1 TRP 505 5.413 4.585 -7.175 233 HE3 TRP 505 HE3 TRP 505 1.497 5.894 -3.751 234 HZ2 TRP 505 HZ2 TRP 505 6.320 5.997 -4.948 235 HZ3 TRP 505 HZ3 TRP 505 3.128 6.966 -2.312 236 HH2 TRP 505 HH2 TRP 505 5.489 7.017 -2.885 237 H GLU 506 HN GLU 506 0.244 0.950 -7.134 238 HA GLU 506 HA GLU 506 -2.173 1.388 -8.542 239 HB2 GLU 506 HB2 GLU 506 -0.487 -1.069 -8.051 240 HB3 GLU 506 HB1 GLU 506 -1.915 -1.084 -9.072 241 HG2 GLU 506 HG2 GLU 506 0.094 -0.914 -10.404 242 HG3 GLU 506 HG1 GLU 506 -0.877 0.544 -10.563 243 H ASP 507 HN ASP 507 -4.195 0.492 -8.193 244 HA ASP 507 HA ASP 507 -4.977 0.356 -5.495 245 HB2 ASP 507 HB2 ASP 507 -6.459 1.177 -7.232 246 HB3 ASP 507 HB1 ASP 507 -6.506 -0.417 -7.981 247 HA PRO 508 HA PRO 508 -3.878 -3.938 -4.881 248 HB2 PRO 508 HB2 PRO 508 -4.451 -3.575 -2.131 249 HB3 PRO 508 HB1 PRO 508 -2.869 -3.565 -2.908 250 HG2 PRO 508 HG2 PRO 508 -4.081 -1.391 -1.725 251 HG3 PRO 508 HG1 PRO 508 -2.771 -1.320 -2.907 252 HD2 PRO 508 HD2 PRO 508 -5.681 -0.875 -3.275 253 HD3 PRO 508 HD1 PRO 508 -4.300 -0.077 -4.060 254 H ARG 509 HN ARG 509 -6.779 -2.537 -4.682 255 HA ARG 509 HA ARG 509 -8.060 -4.566 -3.116 256 HB2 ARG 509 HB2 ARG 509 -9.281 -2.183 -4.501 257 HB3 ARG 509 HB1 ARG 509 -9.941 -3.107 -3.150 258 HG2 ARG 509 HG2 ARG 509 -7.977 -2.396 -1.770 259 HG3 ARG 509 HG1 ARG 509 -7.486 -1.369 -3.121 260 HD2 ARG 509 HD2 ARG 509 -10.235 -1.085 -1.978 261 HD3 ARG 509 HD1 ARG 509 -8.855 -0.287 -1.221 262 HE ARG 509 HE ARG 509 -8.756 0.283 -3.949 263 HH11 ARG 509 HH11 ARG 509 -10.915 0.951 -1.261 264 HH12 ARG 509 HH12 ARG 509 -11.427 2.482 -1.903 265 HH21 ARG 509 HH21 ARG 509 -9.400 2.268 -4.758 266 HH22 ARG 509 HH22 ARG 509 -10.559 3.242 -3.900 267 H LEU 510 HN LEU 510 -6.885 -3.805 -6.055 268 HA LEU 510 HA LEU 510 -8.649 -5.099 -7.691 269 HB2 LEU 510 HB2 LEU 510 -6.994 -5.171 -9.398 270 HB3 LEU 510 HB1 LEU 510 -6.749 -3.683 -8.512 271 HG LEU 510 HG LEU 510 -4.910 -5.008 -7.226 272 HD11 LEU 510 HD11 LEU 510 -3.828 -6.769 -8.515 273 HD12 LEU 510 HD12 LEU 510 -5.121 -6.700 -9.714 274 HD13 LEU 510 HD13 LEU 510 -5.472 -7.234 -8.069 275 HD21 LEU 510 HD21 LEU 510 -4.525 -4.285 -10.127 276 HD22 LEU 510 HD22 LEU 510 -3.253 -4.447 -8.914 277 HD23 LEU 510 HD23 LEU 510 -4.457 -3.169 -8.764 278 H LYS 511 HN LYS 511 -6.463 -6.188 -5.363 279 HA LYS 511 HA LYS 511 -5.840 -8.776 -6.435 280 HB2 LYS 511 HB2 LYS 511 -4.361 -8.984 -4.709 281 HB3 LYS 511 HB1 LYS 511 -4.500 -7.234 -4.744 282 HG2 LYS 511 HG2 LYS 511 -6.207 -7.391 -2.955 283 HG3 LYS 511 HG1 LYS 511 -5.910 -9.128 -2.875 284 HD2 LYS 511 HD2 LYS 511 -4.050 -6.873 -2.188 285 HD3 LYS 511 HD1 LYS 511 -4.631 -8.165 -1.144 286 HE2 LYS 511 HE2 LYS 511 -3.393 -9.805 -2.558 287 HE3 LYS 511 HE1 LYS 511 -2.711 -8.453 -3.454 288 HZ1 LYS 511 HZ1 LYS 511 -2.352 -8.904 -0.538 289 HZ2 LYS 511 HZ2 LYS 511 -1.627 -7.681 -1.457 290 HZ3 LYS 511 HZ3 LYS 511 -1.212 -9.293 -1.726 291 H PHE 512 HN PHE 512 -8.508 -7.550 -4.986 292 HA PHE 512 HA PHE 512 -9.159 -9.030 -2.961 293 HB2 PHE 512 HB2 PHE 512 -10.800 -7.575 -4.784 294 HB3 PHE 512 HB1 PHE 512 -11.638 -8.670 -3.682 295 HD1 PHE 512 HD2 PHE 512 -8.609 -6.456 -3.227 296 HD2 PHE 512 HD1 PHE 512 -12.596 -7.453 -2.009 297 HE1 PHE 512 HE2 PHE 512 -8.471 -4.846 -1.397 298 HE2 PHE 512 HE1 PHE 512 -12.438 -5.826 -0.172 299 HZ PHE 512 HZ PHE 512 -10.375 -4.518 0.137 300 HA PRO 513 HA PRO 513 -10.864 -12.774 -5.621 301 HB2 PRO 513 HB2 PRO 513 -8.242 -12.485 -7.043 302 HB3 PRO 513 HB1 PRO 513 -9.769 -13.166 -7.628 303 HG2 PRO 513 HG2 PRO 513 -9.097 -10.691 -8.327 304 HG3 PRO 513 HG1 PRO 513 -10.772 -11.044 -7.846 305 HD2 PRO 513 HD2 PRO 513 -8.585 -9.753 -6.218 306 HD3 PRO 513 HD1 PRO 513 -10.277 -9.325 -6.239 307 H VAL 514 HN VAL 514 -8.144 -11.737 -3.810 308 HA VAL 514 HA VAL 514 -6.649 -13.922 -3.241 309 HB VAL 514 HB VAL 514 -6.265 -13.119 -0.967 310 HG11 VAL 514 HG11 VAL 514 -6.325 -10.951 -3.045 311 HG12 VAL 514 HG12 VAL 514 -4.957 -11.947 -2.546 312 HG13 VAL 514 HG13 VAL 514 -5.618 -10.729 -1.440 313 HG21 VAL 514 HG21 VAL 514 -8.532 -12.554 -0.362 314 HG22 VAL 514 HG22 VAL 514 -8.539 -11.221 -1.518 315 HG23 VAL 514 HG23 VAL 514 -7.477 -11.163 -0.112 316 H HIS 515 HN HIS 515 -9.787 -13.828 -2.879 317 HA HIS 515 HA HIS 515 -11.437 -14.888 -1.700 318 HB2 HIS 515 HB2 HIS 515 -11.253 -17.391 -1.913 319 HB3 HIS 515 HB1 HIS 515 -11.073 -16.482 -3.403 320 HD1 HIS 515 HD1 HIS 515 -8.504 -16.196 -4.235 321 HD2 HIS 515 HD2 HIS 515 -9.238 -19.161 -1.415 322 HE1 HIS 515 HE1 HIS 515 -6.485 -17.684 -4.282 323 HE2 HIS 515 HE2 HIS 515 -7.047 -19.598 -2.736 324 H1 ALA 202 HT1 ALA 202 5.424 3.499 13.630 325 H2 ALA 202 HT2 ALA 202 5.213 2.359 12.391 326 H3 ALA 202 HT3 ALA 202 6.171 3.731 12.130 327 HA ALA 202 HA ALA 202 7.784 2.997 13.721 328 HB1 ALA 202 HB1 ALA 202 6.237 1.840 15.225 329 HB2 ALA 202 HB2 ALA 202 7.601 0.815 14.782 330 HB3 ALA 202 HB3 ALA 202 6.028 0.564 14.025 331 H GLY 203 HN GLY 203 6.176 0.342 11.943 332 HA2 GLY 203 HA2 GLY 203 8.559 0.226 10.189 333 HA3 GLY 203 HA1 GLY 203 7.588 -1.179 10.621 334 H SEP 204 HN SEP 204 6.265 1.939 9.909 335 HA SEP 204 HA SEP 204 4.450 0.800 8.024 336 HB2 SEP 204 HB2 SEP 204 3.873 3.397 7.913 337 HB3 SEP 204 HB1 SEP 204 3.378 2.387 9.272 338 HA PRO 205 HA PRO 205 6.474 1.641 4.183 339 HB2 PRO 205 HB2 PRO 205 4.079 2.258 2.847 340 HB3 PRO 205 HB1 PRO 205 4.830 0.675 2.973 341 HG2 PRO 205 HG2 PRO 205 2.540 1.771 4.490 342 HG3 PRO 205 HG1 PRO 205 2.923 0.106 4.049 343 HD2 PRO 205 HD2 PRO 205 3.224 1.091 6.545 344 HD3 PRO 205 HD1 PRO 205 4.221 -0.220 5.878 345 H ASN 206 HN ASN 206 7.589 3.579 4.407 346 HA ASN 206 HA ASN 206 6.065 5.958 3.586 347 HB2 ASN 206 HB2 ASN 206 6.888 6.305 5.800 348 HB3 ASN 206 HB1 ASN 206 8.516 5.822 5.344 349 HD21 ASN 206 HD21 ASN 206 6.251 7.974 3.665 350 HD22 ASN 206 HD22 ASN 206 7.257 9.378 3.746 351 H LEU 207 HN LEU 207 8.500 3.768 2.727 352 HA LEU 207 HA LEU 207 10.058 5.541 1.129 353 HB2 LEU 207 HB2 LEU 207 11.113 3.552 0.211 354 HB3 LEU 207 HB1 LEU 207 11.034 3.477 1.957 355 HG LEU 207 HG LEU 207 9.004 2.053 0.251 356 HD11 LEU 207 HD11 LEU 207 11.677 1.000 1.180 357 HD12 LEU 207 HD12 LEU 207 11.207 1.310 -0.492 358 HD13 LEU 207 HD13 LEU 207 10.394 0.047 0.432 359 HD21 LEU 207 HD21 LEU 207 10.053 1.588 3.042 360 HD22 LEU 207 HD22 LEU 207 8.830 0.617 2.226 361 HD23 LEU 207 HD23 LEU 207 8.495 2.303 2.627 362 H SEP 208 HN SEP 208 9.169 6.605 -0.512 363 HA SEP 208 HA SEP 208 7.038 5.575 -2.107 364 HB2 SEP 208 HB2 SEP 208 8.885 7.845 -2.890 365 HB3 SEP 208 HB1 SEP 208 7.198 7.615 -3.340 366 HA PRO 209 HA PRO 209 9.714 2.927 -4.651 367 HB2 PRO 209 HB2 PRO 209 7.232 2.918 -6.287 368 HB3 PRO 209 HB1 PRO 209 8.219 1.562 -5.732 369 HG2 PRO 209 HG2 PRO 209 5.874 2.093 -4.599 370 HG3 PRO 209 HG1 PRO 209 7.256 1.544 -3.645 371 HD2 PRO 209 HD2 PRO 209 6.096 4.269 -3.899 372 HD3 PRO 209 HD1 PRO 209 6.785 3.479 -2.464 373 H ASN 210 HN ASN 210 11.143 3.879 -5.923 374 HA ASN 210 HA ASN 210 10.350 5.978 -7.755 375 HB2 ASN 210 HB2 ASN 210 12.771 6.113 -8.291 376 HB3 ASN 210 HB1 ASN 210 12.443 6.295 -6.574 377 HD21 ASN 210 HD21 ASN 210 14.879 5.502 -7.979 378 HD22 ASN 210 HD22 ASN 210 15.326 3.964 -7.319 379 HA PRO 211 HA PRO 211 9.932 2.855 -10.911 380 HB2 PRO 211 HB2 PRO 211 8.407 4.525 -12.527 381 HB3 PRO 211 HB1 PRO 211 7.775 3.467 -11.268 382 HG2 PRO 211 HG2 PRO 211 7.804 6.317 -11.304 383 HG3 PRO 211 HG1 PRO 211 7.221 5.258 -10.009 384 HD2 PRO 211 HD2 PRO 211 9.792 6.699 -10.261 385 HD3 PRO 211 HD1 PRO 211 8.956 6.114 -8.808 Start of MODEL 8 1 H GLN 476 HT1 GLN 476 -8.966 -4.330 6.143 2 HA GLN 476 HA GLN 476 -8.625 -1.607 7.240 3 HB2 GLN 476 HB2 GLN 476 -6.660 -2.322 6.178 4 HB3 GLN 476 HB1 GLN 476 -7.515 -3.028 4.822 5 HG2 GLN 476 HG2 GLN 476 -6.503 -1.045 4.057 6 HG3 GLN 476 HG1 GLN 476 -8.217 -0.678 4.244 7 HE21 GLN 476 HE21 GLN 476 -5.023 -0.211 5.556 8 HE22 GLN 476 HE22 GLN 476 -5.410 1.164 6.534 9 H SER 477 HN SER 477 -9.509 0.042 6.008 10 HA SER 477 HA SER 477 -12.277 -0.560 5.750 11 HB2 SER 477 HB2 SER 477 -10.873 2.059 5.217 12 HB3 SER 477 HB1 SER 477 -12.597 1.836 5.514 13 HG SER 477 HG SER 477 -12.037 2.167 7.515 14 H PHE 478 HN PHE 478 -9.877 0.563 3.360 15 HA PHE 478 HA PHE 478 -11.945 0.879 1.257 16 HB2 PHE 478 HB2 PHE 478 -9.112 0.649 0.433 17 HB3 PHE 478 HB1 PHE 478 -10.246 1.936 0.049 18 HD1 PHE 478 HD1 PHE 478 -10.745 2.994 2.901 19 HD2 PHE 478 HD2 PHE 478 -7.259 1.670 0.836 20 HE1 PHE 478 HE1 PHE 478 -9.276 4.015 4.609 21 HE2 PHE 478 HE2 PHE 478 -5.869 2.682 2.471 22 HZ PHE 478 HZ PHE 478 -6.831 3.748 4.343 23 H LEU 479 HN LEU 479 -9.783 -1.401 2.668 24 HA LEU 479 HA LEU 479 -8.510 -1.982 0.117 25 HB2 LEU 479 HB2 LEU 479 -7.737 0.135 1.186 26 HB3 LEU 479 HB1 LEU 479 -7.117 -0.712 2.576 27 HG LEU 479 HG LEU 479 -5.747 -1.955 0.564 28 HD11 LEU 479 HD11 LEU 479 -7.097 -0.257 -0.927 29 HD12 LEU 479 HD12 LEU 479 -5.411 -0.641 -1.273 30 HD13 LEU 479 HD13 LEU 479 -5.814 0.848 -0.413 31 HD21 LEU 479 HD21 LEU 479 -4.814 -0.729 2.539 32 HD22 LEU 479 HD22 LEU 479 -4.964 0.763 1.607 33 HD23 LEU 479 HD23 LEU 479 -3.897 -0.531 1.042 34 HA PRO 480 HA PRO 480 -8.276 -6.120 1.450 35 HB2 PRO 480 HB2 PRO 480 -5.526 -6.428 0.622 36 HB3 PRO 480 HB1 PRO 480 -6.849 -7.081 -0.084 37 HG2 PRO 480 HG2 PRO 480 -5.392 -5.116 -1.195 38 HG3 PRO 480 HG1 PRO 480 -7.080 -5.439 -1.604 39 HD2 PRO 480 HD2 PRO 480 -5.915 -3.257 -0.024 40 HD3 PRO 480 HD1 PRO 480 -7.457 -3.327 -0.891 41 HA PRO 481 HA PRO 481 -6.236 -6.627 5.372 42 HB2 PRO 481 HB2 PRO 481 -5.668 -9.450 4.947 43 HB3 PRO 481 HB1 PRO 481 -6.913 -8.706 5.951 44 HG2 PRO 481 HG2 PRO 481 -7.489 -10.093 3.698 45 HG3 PRO 481 HG1 PRO 481 -8.473 -8.730 4.261 46 HD2 PRO 481 HD2 PRO 481 -6.354 -8.781 2.137 47 HD3 PRO 481 HD1 PRO 481 -7.959 -8.019 2.104 48 H GLY 482 HN GLY 482 -4.316 -6.152 3.024 49 HA2 GLY 482 HA2 GLY 482 -1.864 -7.333 4.204 50 HA3 GLY 482 HA1 GLY 482 -2.041 -6.911 2.472 51 H TRP 483 HN TRP 483 -3.484 -4.574 4.602 52 HA TRP 483 HA TRP 483 -1.602 -3.071 2.962 53 HB2 TRP 483 HB2 TRP 483 -4.587 -3.027 2.825 54 HB3 TRP 483 HB1 TRP 483 -3.513 -1.938 1.929 55 HD1 TRP 483 HD1 TRP 483 -4.848 -5.433 1.837 56 HE1 TRP 483 HE1 TRP 483 -3.711 -6.748 -0.054 57 HE3 TRP 483 HE3 TRP 483 -1.264 -2.138 0.579 58 HZ2 TRP 483 HZ2 TRP 483 -1.778 -6.444 -1.749 59 HZ3 TRP 483 HZ3 TRP 483 0.226 -2.790 -1.188 60 HH2 TRP 483 HH2 TRP 483 0.001 -4.854 -2.401 61 H GLU 484 HN GLU 484 -0.710 -1.597 3.709 62 HA GLU 484 HA GLU 484 -1.797 0.076 5.872 63 HB2 GLU 484 HB2 GLU 484 0.661 -1.006 5.707 64 HB3 GLU 484 HB1 GLU 484 0.952 0.403 4.734 65 HG2 GLU 484 HG2 GLU 484 1.530 0.450 7.201 66 HG3 GLU 484 HG1 GLU 484 0.728 1.835 6.473 67 H MET 485 HN MET 485 -3.045 1.693 4.939 68 HA MET 485 HA MET 485 -2.081 2.892 2.466 69 HB2 MET 485 HB2 MET 485 -4.561 2.541 2.916 70 HB3 MET 485 HB1 MET 485 -4.431 3.853 4.082 71 HG2 MET 485 HG2 MET 485 -3.273 4.993 1.930 72 HG3 MET 485 HG1 MET 485 -4.418 3.925 1.141 73 HE1 MET 485 HE1 MET 485 -3.963 6.951 3.614 74 HE2 MET 485 HE2 MET 485 -4.788 5.764 4.623 75 HE3 MET 485 HE3 MET 485 -5.623 7.238 4.133 76 H ARG 486 HN ARG 486 -0.257 3.945 2.995 77 HA ARG 486 HA ARG 486 -0.502 6.005 5.068 78 HB2 ARG 486 HB2 ARG 486 1.951 4.665 3.924 79 HB3 ARG 486 HB1 ARG 486 2.008 6.042 5.017 80 HG2 ARG 486 HG2 ARG 486 0.650 3.451 5.705 81 HG3 ARG 486 HG1 ARG 486 2.344 3.782 6.065 82 HD2 ARG 486 HD2 ARG 486 0.221 5.698 6.943 83 HD3 ARG 486 HD1 ARG 486 0.524 4.228 7.870 84 HE ARG 486 HE ARG 486 2.977 5.174 7.736 85 HH11 ARG 486 HH11 ARG 486 0.024 6.980 8.228 86 HH12 ARG 486 HH12 ARG 486 0.760 8.121 9.316 87 HH21 ARG 486 HH21 ARG 486 3.947 6.651 9.154 88 HH22 ARG 486 HH22 ARG 486 2.997 7.949 9.829 89 H ILE 487 HN ILE 487 -1.142 7.802 4.181 90 HA ILE 487 HA ILE 487 -0.052 8.727 1.637 91 HB ILE 487 HB ILE 487 -2.313 9.173 1.805 92 HG12 ILE 487 HG12 ILE 487 -0.667 11.648 2.429 93 HG13 ILE 487 HG11 ILE 487 -1.140 11.018 0.856 94 HG21 ILE 487 HG21 ILE 487 -3.357 10.310 3.708 95 HG22 ILE 487 HG22 ILE 487 -1.810 10.268 4.557 96 HG23 ILE 487 HG23 ILE 487 -2.627 8.759 4.133 97 HD11 ILE 487 HD11 ILE 487 -3.030 12.162 2.892 98 HD12 ILE 487 HD12 ILE 487 -3.457 11.559 1.289 99 HD13 ILE 487 HD13 ILE 487 -2.431 12.985 1.451 100 H ALA 488 HN ALA 488 1.721 9.767 1.547 101 HA ALA 488 HA ALA 488 3.047 10.239 4.046 102 HB1 ALA 488 HB1 ALA 488 4.190 8.976 2.309 103 HB2 ALA 488 HB2 ALA 488 5.075 10.450 2.688 104 HB3 ALA 488 HB3 ALA 488 4.096 10.359 1.223 105 HA PRO 489 HA PRO 489 2.495 14.624 4.142 106 HB2 PRO 489 HB2 PRO 489 5.405 14.930 4.644 107 HB3 PRO 489 HB1 PRO 489 4.029 15.482 5.604 108 HG2 PRO 489 HG2 PRO 489 5.477 13.393 6.389 109 HG3 PRO 489 HG1 PRO 489 3.715 13.406 6.589 110 HD2 PRO 489 HD2 PRO 489 5.379 11.992 4.547 111 HD3 PRO 489 HD1 PRO 489 3.927 11.433 5.401 112 H ASN 490 HN ASN 490 4.463 13.225 1.797 113 HA ASN 490 HA ASN 490 4.941 15.795 0.461 114 HB2 ASN 490 HB2 ASN 490 6.268 14.149 -1.147 115 HB3 ASN 490 HB1 ASN 490 6.989 14.779 0.327 116 HD21 ASN 490 HD21 ASN 490 7.278 12.195 -1.324 117 HD22 ASN 490 HD22 ASN 490 7.199 10.974 -0.096 118 H GLY 491 HN GLY 491 2.849 13.125 0.454 119 HA2 GLY 491 HA2 GLY 491 0.858 13.357 -0.943 120 HA3 GLY 491 HA1 GLY 491 1.901 13.939 -2.233 121 H ARG 492 HN ARG 492 2.742 11.277 -0.191 122 HA ARG 492 HA ARG 492 2.470 9.440 -2.474 123 HB2 ARG 492 HB2 ARG 492 4.461 9.710 -0.319 124 HB3 ARG 492 HB1 ARG 492 4.108 8.122 -0.852 125 HG2 ARG 492 HG2 ARG 492 6.077 8.926 -1.913 126 HG3 ARG 492 HG1 ARG 492 4.805 8.711 -3.098 127 HD2 ARG 492 HD2 ARG 492 4.632 10.964 -3.500 128 HD3 ARG 492 HD1 ARG 492 5.246 11.400 -1.899 129 HE ARG 492 HE ARG 492 7.461 10.858 -2.619 130 HH11 ARG 492 HH11 ARG 492 5.097 10.713 -5.220 131 HH12 ARG 492 HH12 ARG 492 6.283 10.875 -6.477 132 HH21 ARG 492 HH21 ARG 492 8.998 11.112 -4.257 133 HH22 ARG 492 HH22 ARG 492 8.504 11.157 -5.925 134 HA PRO 493 HA PRO 493 -0.007 7.162 0.575 135 HB2 PRO 493 HB2 PRO 493 -2.049 6.885 -1.444 136 HB3 PRO 493 HB1 PRO 493 -2.169 7.672 0.135 137 HG2 PRO 493 HG2 PRO 493 -2.282 9.079 -2.148 138 HG3 PRO 493 HG1 PRO 493 -1.536 9.733 -0.695 139 HD2 PRO 493 HD2 PRO 493 -0.183 8.373 -3.031 140 HD3 PRO 493 HD1 PRO 493 0.195 9.955 -2.296 141 H PHE 494 HN PHE 494 1.321 5.561 0.566 142 HA PHE 494 HA PHE 494 1.644 3.924 -1.813 143 HB2 PHE 494 HB2 PHE 494 2.700 3.009 0.797 144 HB3 PHE 494 HB1 PHE 494 3.472 3.017 -0.751 145 HD1 PHE 494 HD2 PHE 494 2.560 5.194 2.100 146 HD2 PHE 494 HD1 PHE 494 5.198 4.593 -1.195 147 HE1 PHE 494 HE2 PHE 494 4.013 6.866 2.986 148 HE2 PHE 494 HE1 PHE 494 6.661 6.331 -0.285 149 HZ PHE 494 HZ PHE 494 6.087 7.478 1.822 150 H PHE 495 HN PHE 495 0.141 2.281 -2.042 151 HA PHE 495 HA PHE 495 -1.295 1.354 0.329 152 HB2 PHE 495 HB2 PHE 495 -1.437 0.375 -2.558 153 HB3 PHE 495 HB1 PHE 495 -2.519 -0.092 -1.253 154 HD1 PHE 495 HD2 PHE 495 -3.954 1.714 -0.193 155 HD2 PHE 495 HD1 PHE 495 -1.900 2.235 -3.884 156 HE1 PHE 495 HE2 PHE 495 -5.434 3.598 -0.748 157 HE2 PHE 495 HE1 PHE 495 -3.377 4.119 -4.444 158 HZ PHE 495 HZ PHE 495 -5.150 4.800 -2.877 159 H TYR 496 HN TYR 496 0.160 0.088 1.554 160 HA TYR 496 HA TYR 496 2.013 -1.621 0.038 161 HB2 TYR 496 HB2 TYR 496 3.454 -0.212 1.057 162 HB3 TYR 496 HB1 TYR 496 2.414 0.120 2.432 163 HD1 TYR 496 HD2 TYR 496 2.461 -1.437 4.383 164 HD2 TYR 496 HD1 TYR 496 5.048 -2.010 1.049 165 HE1 TYR 496 HE2 TYR 496 3.859 -2.954 5.727 166 HE2 TYR 496 HE1 TYR 496 6.448 -3.511 2.387 167 HH TYR 496 HH TYR 496 5.471 -4.719 5.436 168 H ASP 497 HN ASP 497 2.151 -3.719 0.345 169 HA ASP 497 HA ASP 497 0.119 -5.049 2.016 170 HB2 ASP 497 HB2 ASP 497 0.500 -5.759 -0.329 171 HB3 ASP 497 HB1 ASP 497 2.150 -6.214 0.074 172 H HIS 498 HN HIS 498 0.765 -6.290 3.875 173 HA HIS 498 HA HIS 498 3.468 -5.765 4.847 174 HB2 HIS 498 HB2 HIS 498 1.175 -7.118 6.292 175 HB3 HIS 498 HB1 HIS 498 2.689 -6.595 7.013 176 HD1 HIS 498 HD1 HIS 498 0.596 -4.517 4.681 177 HD2 HIS 498 HD2 HIS 498 1.636 -4.656 8.693 178 HE1 HIS 498 HE1 HIS 498 -0.471 -2.534 5.683 179 HE2 HIS 498 HE2 HIS 498 0.132 -2.609 8.141 180 H ASN 499 HN ASN 499 2.065 -8.216 3.099 181 HA ASN 499 HA ASN 499 3.450 -10.376 4.526 182 HB2 ASN 499 HB2 ASN 499 1.642 -10.676 2.121 183 HB3 ASN 499 HB1 ASN 499 2.131 -11.922 3.264 184 HD21 ASN 499 HD21 ASN 499 0.005 -9.287 2.628 185 HD22 ASN 499 HD22 ASN 499 -1.030 -9.518 3.998 186 H THR 500 HN THR 500 3.119 -8.987 1.297 187 HA THR 500 HA THR 500 5.524 -10.390 0.402 188 HB THR 500 HB THR 500 3.792 -8.511 -1.213 189 HG1 THR 500 HG1 THR 500 3.509 -11.343 -0.975 190 HG21 THR 500 HG21 THR 500 4.612 -9.832 -3.110 191 HG22 THR 500 HG22 THR 500 5.576 -10.818 -2.010 192 HG23 THR 500 HG23 THR 500 5.948 -9.106 -2.215 193 H LYS 501 HN LYS 501 4.764 -7.580 1.957 194 HA LYS 501 HA LYS 501 5.804 -5.613 2.402 195 HB2 LYS 501 HB2 LYS 501 8.197 -7.016 1.208 196 HB3 LYS 501 HB1 LYS 501 8.263 -5.508 2.103 197 HG2 LYS 501 HG2 LYS 501 7.250 -6.784 4.046 198 HG3 LYS 501 HG1 LYS 501 7.602 -8.250 3.125 199 HD2 LYS 501 HD2 LYS 501 9.425 -7.806 4.650 200 HD3 LYS 501 HD1 LYS 501 9.973 -7.549 2.993 201 HE2 LYS 501 HE2 LYS 501 9.543 -5.119 3.289 202 HE3 LYS 501 HE1 LYS 501 9.160 -5.431 4.979 203 HZ1 LYS 501 HZ1 LYS 501 11.378 -4.743 4.942 204 HZ2 LYS 501 HZ2 LYS 501 11.771 -5.717 3.615 205 HZ3 LYS 501 HZ3 LYS 501 11.465 -6.431 5.124 206 H THR 502 HN THR 502 4.329 -5.666 0.059 207 HA THR 502 HA THR 502 6.032 -4.456 -1.988 208 HB THR 502 HB THR 502 3.900 -4.577 -3.390 209 HG1 THR 502 HG1 THR 502 2.364 -4.909 -1.801 210 HG21 THR 502 HG21 THR 502 4.211 -6.965 -3.865 211 HG22 THR 502 HG22 THR 502 5.128 -7.138 -2.369 212 HG23 THR 502 HG23 THR 502 5.757 -6.135 -3.676 213 H THR 503 HN THR 503 6.306 -2.334 -1.786 214 HA THR 503 HA THR 503 4.088 -0.616 -1.029 215 HB THR 503 HB THR 503 6.023 1.097 -1.881 216 HG1 THR 503 HG1 THR 503 7.720 -0.148 -2.259 217 HG21 THR 503 HG21 THR 503 4.947 1.185 0.300 218 HG22 THR 503 HG22 THR 503 6.696 1.322 0.467 219 HG23 THR 503 HG23 THR 503 5.891 -0.200 0.841 220 H THR 504 HN THR 504 2.672 0.060 -2.501 221 HA THR 504 HA THR 504 3.498 0.400 -5.282 222 HB THR 504 HB THR 504 2.620 -2.004 -4.672 223 HG1 THR 504 HG1 THR 504 2.130 -0.405 -6.909 224 HG21 THR 504 HG21 THR 504 0.602 -1.330 -3.519 225 HG22 THR 504 HG22 THR 504 0.203 -2.265 -4.960 226 HG23 THR 504 HG23 THR 504 0.023 -0.510 -4.970 227 H TRP 505 HN TRP 505 2.181 1.974 -6.364 228 HA TRP 505 HA TRP 505 0.246 3.290 -4.579 229 HB2 TRP 505 HB2 TRP 505 0.817 4.403 -7.284 230 HB3 TRP 505 HB1 TRP 505 0.499 5.243 -5.774 231 HD1 TRP 505 HD1 TRP 505 3.266 3.822 -7.908 232 HE1 TRP 505 HE1 TRP 505 5.540 4.642 -7.046 233 HE3 TRP 505 HE3 TRP 505 1.819 6.009 -3.411 234 HZ2 TRP 505 HZ2 TRP 505 6.569 6.005 -4.865 235 HZ3 TRP 505 HZ3 TRP 505 3.543 7.017 -2.071 236 HH2 TRP 505 HH2 TRP 505 5.864 7.027 -2.764 237 H GLU 506 HN GLU 506 0.508 1.142 -7.139 238 HA GLU 506 HA GLU 506 -1.964 1.577 -8.458 239 HB2 GLU 506 HB2 GLU 506 -0.455 -1.035 -8.217 240 HB3 GLU 506 HB1 GLU 506 -1.605 -0.587 -9.469 241 HG2 GLU 506 HG2 GLU 506 0.323 -0.241 -10.606 242 HG3 GLU 506 HG1 GLU 506 0.150 1.355 -9.876 243 H ASP 507 HN ASP 507 -3.951 0.714 -8.078 244 HA ASP 507 HA ASP 507 -4.656 0.354 -5.397 245 HB2 ASP 507 HB2 ASP 507 -6.138 1.264 -7.140 246 HB3 ASP 507 HB1 ASP 507 -6.253 -0.334 -7.873 247 HA PRO 508 HA PRO 508 -3.475 -3.943 -4.913 248 HB2 PRO 508 HB2 PRO 508 -3.753 -3.959 -2.288 249 HB3 PRO 508 HB1 PRO 508 -2.429 -3.069 -3.042 250 HG2 PRO 508 HG2 PRO 508 -5.081 -2.068 -2.080 251 HG3 PRO 508 HG1 PRO 508 -3.474 -1.425 -1.772 252 HD2 PRO 508 HD2 PRO 508 -5.072 -0.383 -3.645 253 HD3 PRO 508 HD1 PRO 508 -3.308 -0.438 -3.841 254 H ARG 509 HN ARG 509 -6.457 -2.620 -4.754 255 HA ARG 509 HA ARG 509 -7.700 -4.793 -3.337 256 HB2 ARG 509 HB2 ARG 509 -9.022 -2.496 -4.790 257 HB3 ARG 509 HB1 ARG 509 -9.695 -3.493 -3.499 258 HG2 ARG 509 HG2 ARG 509 -7.933 -2.609 -1.966 259 HG3 ARG 509 HG1 ARG 509 -7.431 -1.528 -3.267 260 HD2 ARG 509 HD2 ARG 509 -10.242 -1.538 -2.212 261 HD3 ARG 509 HD1 ARG 509 -8.971 -0.541 -1.517 262 HE ARG 509 HE ARG 509 -8.873 0.033 -4.184 263 HH11 ARG 509 HH11 ARG 509 -11.442 0.078 -1.778 264 HH12 ARG 509 HH12 ARG 509 -12.244 1.442 -2.490 265 HH21 ARG 509 HH21 ARG 509 -9.914 1.834 -5.083 266 HH22 ARG 509 HH22 ARG 509 -11.386 2.436 -4.375 267 H LEU 510 HN LEU 510 -6.345 -3.860 -6.138 268 HA LEU 510 HA LEU 510 -7.781 -5.200 -8.024 269 HB2 LEU 510 HB2 LEU 510 -5.835 -5.260 -9.424 270 HB3 LEU 510 HB1 LEU 510 -5.805 -3.753 -8.535 271 HG LEU 510 HG LEU 510 -4.215 -5.056 -6.896 272 HD11 LEU 510 HD11 LEU 510 -2.815 -6.715 -7.984 273 HD12 LEU 510 HD12 LEU 510 -3.831 -6.646 -9.426 274 HD13 LEU 510 HD13 LEU 510 -4.491 -7.258 -7.908 275 HD21 LEU 510 HD21 LEU 510 -3.258 -4.203 -9.623 276 HD22 LEU 510 HD22 LEU 510 -2.272 -4.358 -8.167 277 HD23 LEU 510 HD23 LEU 510 -3.541 -3.135 -8.247 278 H LYS 511 HN LYS 511 -5.854 -6.262 -5.439 279 HA LYS 511 HA LYS 511 -4.919 -8.741 -6.531 280 HB2 LYS 511 HB2 LYS 511 -3.603 -8.898 -4.679 281 HB3 LYS 511 HB1 LYS 511 -3.885 -7.166 -4.670 282 HG2 LYS 511 HG2 LYS 511 -5.680 -7.477 -3.025 283 HG3 LYS 511 HG1 LYS 511 -5.379 -9.215 -3.036 284 HD2 LYS 511 HD2 LYS 511 -3.655 -7.001 -1.985 285 HD3 LYS 511 HD1 LYS 511 -4.253 -8.435 -1.146 286 HE2 LYS 511 HE2 LYS 511 -2.847 -9.811 -2.741 287 HE3 LYS 511 HE1 LYS 511 -2.105 -8.303 -3.263 288 HZ1 LYS 511 HZ1 LYS 511 -1.889 -9.669 -0.657 289 HZ2 LYS 511 HZ2 LYS 511 -1.602 -8.004 -0.763 290 HZ3 LYS 511 HZ3 LYS 511 -0.659 -9.082 -1.664 291 H PHE 512 HN PHE 512 -7.823 -7.850 -5.319 292 HA PHE 512 HA PHE 512 -8.418 -9.374 -3.311 293 HB2 PHE 512 HB2 PHE 512 -10.092 -8.160 -5.282 294 HB3 PHE 512 HB1 PHE 512 -10.865 -9.318 -4.198 295 HD1 PHE 512 HD2 PHE 512 -8.076 -6.862 -3.527 296 HD2 PHE 512 HD1 PHE 512 -12.129 -8.064 -2.741 297 HE1 PHE 512 HE2 PHE 512 -8.245 -5.223 -1.732 298 HE2 PHE 512 HE1 PHE 512 -12.272 -6.390 -0.945 299 HZ PHE 512 HZ PHE 512 -10.331 -4.964 -0.440 300 HA PRO 513 HA PRO 513 -9.686 -13.244 -6.027 301 HB2 PRO 513 HB2 PRO 513 -7.244 -12.710 -7.662 302 HB3 PRO 513 HB1 PRO 513 -8.796 -13.404 -8.150 303 HG2 PRO 513 HG2 PRO 513 -8.177 -10.860 -8.736 304 HG3 PRO 513 HG1 PRO 513 -9.833 -11.327 -8.292 305 HD2 PRO 513 HD2 PRO 513 -7.767 -9.926 -6.603 306 HD3 PRO 513 HD1 PRO 513 -9.502 -9.722 -6.574 307 H VAL 514 HN VAL 514 -6.937 -11.910 -4.502 308 HA VAL 514 HA VAL 514 -5.322 -14.146 -4.150 309 HB VAL 514 HB VAL 514 -4.607 -11.809 -3.636 310 HG11 VAL 514 HG11 VAL 514 -5.160 -10.799 -1.477 311 HG12 VAL 514 HG12 VAL 514 -6.230 -12.157 -1.115 312 HG13 VAL 514 HG13 VAL 514 -6.613 -11.067 -2.446 313 HG21 VAL 514 HG21 VAL 514 -4.233 -13.767 -1.378 314 HG22 VAL 514 HG22 VAL 514 -3.240 -12.339 -1.678 315 HG23 VAL 514 HG23 VAL 514 -3.259 -13.663 -2.845 316 H HIS 515 HN HIS 515 -8.283 -13.663 -3.191 317 HA HIS 515 HA HIS 515 -8.165 -15.748 -1.130 318 HB2 HIS 515 HB2 HIS 515 -9.784 -13.199 -1.004 319 HB3 HIS 515 HB1 HIS 515 -10.119 -14.597 0.009 320 HD1 HIS 515 HD1 HIS 515 -6.606 -14.594 -0.163 321 HD2 HIS 515 HD2 HIS 515 -9.384 -12.214 1.813 322 HE1 HIS 515 HE1 HIS 515 -5.341 -13.480 1.698 323 HE2 HIS 515 HE2 HIS 515 -7.107 -12.278 3.038 324 H1 ALA 202 HT1 ALA 202 11.024 2.257 11.365 325 H2 ALA 202 HT2 ALA 202 10.322 0.765 11.759 326 H3 ALA 202 HT3 ALA 202 9.347 2.055 11.245 327 HA ALA 202 HA ALA 202 10.296 2.001 9.069 328 HB1 ALA 202 HB1 ALA 202 11.960 -0.292 10.103 329 HB2 ALA 202 HB2 ALA 202 12.551 1.328 9.734 330 HB3 ALA 202 HB3 ALA 202 11.927 0.303 8.444 331 H GLY 203 HN GLY 203 8.291 0.552 10.981 332 HA2 GLY 203 HA2 GLY 203 7.736 -1.877 9.498 333 HA3 GLY 203 HA1 GLY 203 6.857 -1.283 10.899 334 H SEP 204 HN SEP 204 6.555 1.401 9.624 335 HA SEP 204 HA SEP 204 4.272 0.698 7.956 336 HB2 SEP 204 HB2 SEP 204 4.137 3.405 8.244 337 HB3 SEP 204 HB1 SEP 204 3.376 2.240 9.326 338 HA PRO 205 HA PRO 205 6.150 1.615 4.116 339 HB2 PRO 205 HB2 PRO 205 3.855 2.626 2.901 340 HB3 PRO 205 HB1 PRO 205 4.285 0.928 3.018 341 HG2 PRO 205 HG2 PRO 205 2.380 2.469 4.669 342 HG3 PRO 205 HG1 PRO 205 2.315 0.793 4.118 343 HD2 PRO 205 HD2 PRO 205 2.973 1.452 6.633 344 HD3 PRO 205 HD1 PRO 205 3.666 0.045 5.802 345 H ASN 206 HN ASN 206 7.537 3.366 4.540 346 HA ASN 206 HA ASN 206 6.371 5.946 3.734 347 HB2 ASN 206 HB2 ASN 206 7.224 6.109 5.978 348 HB3 ASN 206 HB1 ASN 206 8.789 5.474 5.489 349 HD21 ASN 206 HD21 ASN 206 6.812 7.867 3.792 350 HD22 ASN 206 HD22 ASN 206 7.943 9.165 3.951 351 H LEU 207 HN LEU 207 8.495 3.448 2.864 352 HA LEU 207 HA LEU 207 10.257 5.008 1.242 353 HB2 LEU 207 HB2 LEU 207 10.995 2.864 0.284 354 HB3 LEU 207 HB1 LEU 207 11.041 2.872 2.033 355 HG LEU 207 HG LEU 207 8.719 1.655 0.558 356 HD11 LEU 207 HD11 LEU 207 11.311 0.304 1.298 357 HD12 LEU 207 HD12 LEU 207 10.726 0.609 -0.337 358 HD13 LEU 207 HD13 LEU 207 9.859 -0.508 0.716 359 HD21 LEU 207 HD21 LEU 207 8.451 2.040 2.956 360 HD22 LEU 207 HD22 LEU 207 9.938 1.147 3.272 361 HD23 LEU 207 HD23 LEU 207 8.537 0.314 2.601 362 H SEP 208 HN SEP 208 9.483 6.149 -0.399 363 HA SEP 208 HA SEP 208 7.117 5.367 -1.811 364 HB2 SEP 208 HB2 SEP 208 9.016 7.622 -2.543 365 HB3 SEP 208 HB1 SEP 208 7.319 7.468 -2.974 366 HA PRO 209 HA PRO 209 9.383 2.827 -4.831 367 HB2 PRO 209 HB2 PRO 209 6.686 2.941 -6.075 368 HB3 PRO 209 HB1 PRO 209 7.722 1.544 -5.767 369 HG2 PRO 209 HG2 PRO 209 5.576 1.983 -4.267 370 HG3 PRO 209 HG1 PRO 209 7.084 1.402 -3.548 371 HD2 PRO 209 HD2 PRO 209 5.910 4.141 -3.537 372 HD3 PRO 209 HD1 PRO 209 6.729 3.278 -2.213 373 H ASN 210 HN ASN 210 10.467 3.622 -6.546 374 HA ASN 210 HA ASN 210 9.981 6.277 -7.438 375 HB2 ASN 210 HB2 ASN 210 11.830 5.798 -9.068 376 HB3 ASN 210 HB1 ASN 210 12.249 5.490 -7.387 377 HD21 ASN 210 HD21 ASN 210 11.731 4.093 -10.514 378 HD22 ASN 210 HD22 ASN 210 12.266 2.494 -10.115 379 HA PRO 211 HA PRO 211 7.174 5.113 -10.701 380 HB2 PRO 211 HB2 PRO 211 6.618 7.738 -11.407 381 HB3 PRO 211 HB1 PRO 211 5.753 6.796 -10.196 382 HG2 PRO 211 HG2 PRO 211 7.498 9.051 -9.818 383 HG3 PRO 211 HG1 PRO 211 6.524 8.192 -8.615 384 HD2 PRO 211 HD2 PRO 211 9.380 8.027 -9.123 385 HD3 PRO 211 HD1 PRO 211 8.437 7.370 -7.770 Start of MODEL 9 1 H GLN 476 HT1 GLN 476 -5.751 -2.469 5.807 2 HA GLN 476 HA GLN 476 -7.373 -1.053 6.951 3 HB2 GLN 476 HB2 GLN 476 -6.439 -0.456 4.167 4 HB3 GLN 476 HB1 GLN 476 -7.428 0.718 5.027 5 HG2 GLN 476 HG2 GLN 476 -4.786 -0.392 5.948 6 HG3 GLN 476 HG1 GLN 476 -5.068 1.217 5.280 7 HE21 GLN 476 HE21 GLN 476 -3.984 0.489 7.879 8 HE22 GLN 476 HE22 GLN 476 -5.044 1.188 9.055 9 H SER 477 HN SER 477 -9.190 0.572 6.140 10 HA SER 477 HA SER 477 -11.504 -1.061 6.003 11 HB2 SER 477 HB2 SER 477 -11.629 1.885 5.506 12 HB3 SER 477 HB1 SER 477 -12.680 0.868 6.493 13 HG SER 477 HG SER 477 -10.889 2.391 7.433 14 H PHE 478 HN PHE 478 -9.594 0.434 3.557 15 HA PHE 478 HA PHE 478 -11.783 0.697 1.561 16 HB2 PHE 478 HB2 PHE 478 -8.986 0.604 0.599 17 HB3 PHE 478 HB1 PHE 478 -10.196 1.839 0.280 18 HD1 PHE 478 HD1 PHE 478 -10.579 2.826 3.192 19 HD2 PHE 478 HD2 PHE 478 -7.168 1.761 0.867 20 HE1 PHE 478 HE1 PHE 478 -9.062 3.923 4.811 21 HE2 PHE 478 HE2 PHE 478 -5.738 2.846 2.418 22 HZ PHE 478 HZ PHE 478 -6.632 3.820 4.371 23 H LEU 479 HN LEU 479 -9.519 -1.543 2.894 24 HA LEU 479 HA LEU 479 -8.267 -1.970 0.306 25 HB2 LEU 479 HB2 LEU 479 -7.515 0.127 1.373 26 HB3 LEU 479 HB1 LEU 479 -6.891 -0.702 2.771 27 HG LEU 479 HG LEU 479 -5.449 -1.935 0.849 28 HD11 LEU 479 HD11 LEU 479 -5.790 0.797 -0.309 29 HD12 LEU 479 HD12 LEU 479 -6.838 -0.532 -0.812 30 HD13 LEU 479 HD13 LEU 479 -5.093 -0.648 -1.050 31 HD21 LEU 479 HD21 LEU 479 -4.838 0.882 1.746 32 HD22 LEU 479 HD22 LEU 479 -3.681 -0.349 1.216 33 HD23 LEU 479 HD23 LEU 479 -4.572 -0.559 2.728 34 HA PRO 480 HA PRO 480 -8.034 -6.125 1.372 35 HB2 PRO 480 HB2 PRO 480 -5.328 -6.381 0.340 36 HB3 PRO 480 HB1 PRO 480 -6.691 -7.025 -0.301 37 HG2 PRO 480 HG2 PRO 480 -5.393 -5.028 -1.456 38 HG3 PRO 480 HG1 PRO 480 -7.136 -5.253 -1.628 39 HD2 PRO 480 HD2 PRO 480 -5.633 -3.283 -0.022 40 HD3 PRO 480 HD1 PRO 480 -7.228 -3.150 -0.782 41 HA PRO 481 HA PRO 481 -5.825 -7.086 5.105 42 HB2 PRO 481 HB2 PRO 481 -5.148 -9.798 4.251 43 HB3 PRO 481 HB1 PRO 481 -6.320 -9.264 5.458 44 HG2 PRO 481 HG2 PRO 481 -7.074 -10.350 3.112 45 HG3 PRO 481 HG1 PRO 481 -8.024 -9.088 3.920 46 HD2 PRO 481 HD2 PRO 481 -6.099 -8.835 1.631 47 HD3 PRO 481 HD1 PRO 481 -7.707 -8.106 1.833 48 H GLY 482 HN GLY 482 -4.001 -6.219 2.779 49 HA2 GLY 482 HA2 GLY 482 -1.465 -7.385 3.794 50 HA3 GLY 482 HA1 GLY 482 -1.698 -6.850 2.100 51 H TRP 483 HN TRP 483 -3.263 -4.781 4.369 52 HA TRP 483 HA TRP 483 -1.471 -3.017 2.891 53 HB2 TRP 483 HB2 TRP 483 -4.458 -3.136 2.742 54 HB3 TRP 483 HB1 TRP 483 -3.435 -1.949 1.919 55 HD1 TRP 483 HD1 TRP 483 -4.625 -5.482 1.614 56 HE1 TRP 483 HE1 TRP 483 -3.538 -6.586 -0.441 57 HE3 TRP 483 HE3 TRP 483 -1.209 -1.967 0.513 58 HZ2 TRP 483 HZ2 TRP 483 -1.726 -6.078 -2.182 59 HZ3 TRP 483 HZ3 TRP 483 0.225 -2.406 -1.362 60 HH2 TRP 483 HH2 TRP 483 0.005 -4.376 -2.758 61 H GLU 484 HN GLU 484 -0.968 -1.268 3.504 62 HA GLU 484 HA GLU 484 -2.306 0.078 5.764 63 HB2 GLU 484 HB2 GLU 484 -0.192 -1.039 6.467 64 HB3 GLU 484 HB1 GLU 484 0.671 -0.138 5.243 65 HG2 GLU 484 HG2 GLU 484 0.787 0.620 7.667 66 HG3 GLU 484 HG1 GLU 484 0.550 1.837 6.416 67 H MET 485 HN MET 485 -3.133 1.924 4.956 68 HA MET 485 HA MET 485 -1.998 3.016 2.502 69 HB2 MET 485 HB2 MET 485 -4.522 2.748 2.941 70 HB3 MET 485 HB1 MET 485 -4.351 4.160 3.976 71 HG2 MET 485 HG2 MET 485 -3.160 5.102 1.787 72 HG3 MET 485 HG1 MET 485 -4.222 3.930 1.033 73 HE1 MET 485 HE1 MET 485 -4.916 5.993 4.321 74 HE2 MET 485 HE2 MET 485 -5.738 7.410 3.666 75 HE3 MET 485 HE3 MET 485 -4.033 7.135 3.308 76 H ARG 486 HN ARG 486 -0.217 4.172 2.947 77 HA ARG 486 HA ARG 486 -0.459 6.156 5.094 78 HB2 ARG 486 HB2 ARG 486 1.982 4.805 3.966 79 HB3 ARG 486 HB1 ARG 486 2.048 6.159 5.085 80 HG2 ARG 486 HG2 ARG 486 0.590 3.611 5.701 81 HG3 ARG 486 HG1 ARG 486 2.300 3.849 6.063 82 HD2 ARG 486 HD2 ARG 486 0.214 5.788 6.998 83 HD3 ARG 486 HD1 ARG 486 0.582 4.327 7.913 84 HE ARG 486 HE ARG 486 2.955 5.756 7.302 85 HH11 ARG 486 HH11 ARG 486 0.163 5.825 9.424 86 HH12 ARG 486 HH12 ARG 486 1.015 6.636 10.708 87 HH21 ARG 486 HH21 ARG 486 4.071 6.792 9.014 88 HH22 ARG 486 HH22 ARG 486 3.202 7.214 10.459 89 H ILE 487 HN ILE 487 -0.921 8.018 4.377 90 HA ILE 487 HA ILE 487 -0.049 8.992 1.783 91 HB ILE 487 HB ILE 487 -2.251 9.413 2.128 92 HG12 ILE 487 HG12 ILE 487 -0.657 11.914 2.798 93 HG13 ILE 487 HG11 ILE 487 -1.159 11.343 1.213 94 HG21 ILE 487 HG21 ILE 487 -3.182 10.445 4.159 95 HG22 ILE 487 HG22 ILE 487 -1.582 10.367 4.901 96 HG23 ILE 487 HG23 ILE 487 -2.415 8.879 4.438 97 HD11 ILE 487 HD11 ILE 487 -3.485 11.759 1.770 98 HD12 ILE 487 HD12 ILE 487 -2.511 13.219 1.944 99 HD13 ILE 487 HD13 ILE 487 -3.006 12.316 3.375 100 H ALA 488 HN ALA 488 1.666 10.040 1.501 101 HA ALA 488 HA ALA 488 3.380 10.402 3.780 102 HB1 ALA 488 HB1 ALA 488 3.967 10.600 0.837 103 HB2 ALA 488 HB2 ALA 488 4.195 9.178 1.853 104 HB3 ALA 488 HB3 ALA 488 5.163 10.625 2.132 105 HA PRO 489 HA PRO 489 3.181 14.840 4.086 106 HB2 PRO 489 HB2 PRO 489 6.152 14.802 3.943 107 HB3 PRO 489 HB1 PRO 489 5.088 15.553 5.138 108 HG2 PRO 489 HG2 PRO 489 6.377 13.299 5.708 109 HG3 PRO 489 HG1 PRO 489 4.706 13.549 6.247 110 HD2 PRO 489 HD2 PRO 489 5.747 11.872 4.004 111 HD3 PRO 489 HD1 PRO 489 4.398 11.561 5.114 112 H ASN 490 HN ASN 490 4.456 13.339 1.278 113 HA ASN 490 HA ASN 490 4.861 15.953 -0.036 114 HB2 ASN 490 HB2 ASN 490 5.609 14.463 -1.983 115 HB3 ASN 490 HB1 ASN 490 6.653 14.473 -0.563 116 HD21 ASN 490 HD21 ASN 490 7.320 12.368 -1.683 117 HD22 ASN 490 HD22 ASN 490 6.473 10.971 -1.140 118 H GLY 491 HN GLY 491 2.573 13.526 0.483 119 HA2 GLY 491 HA2 GLY 491 0.303 13.824 -0.302 120 HA3 GLY 491 HA1 GLY 491 0.954 14.490 -1.796 121 H ARG 492 HN ARG 492 2.496 11.760 -0.410 122 HA ARG 492 HA ARG 492 1.533 10.104 -2.635 123 HB2 ARG 492 HB2 ARG 492 4.045 9.947 -0.968 124 HB3 ARG 492 HB1 ARG 492 3.610 8.777 -2.175 125 HG2 ARG 492 HG2 ARG 492 3.433 11.230 -3.448 126 HG3 ARG 492 HG1 ARG 492 4.890 11.292 -2.443 127 HD2 ARG 492 HD2 ARG 492 4.583 8.835 -3.980 128 HD3 ARG 492 HD1 ARG 492 4.745 10.281 -4.968 129 HE ARG 492 HE ARG 492 6.728 9.981 -2.849 130 HH11 ARG 492 HH11 ARG 492 5.897 9.383 -6.214 131 HH12 ARG 492 HH12 ARG 492 7.556 9.277 -6.735 132 HH21 ARG 492 HH21 ARG 492 8.881 9.880 -3.524 133 HH22 ARG 492 HH22 ARG 492 9.262 9.535 -5.189 134 HA PRO 493 HA PRO 493 -0.109 7.468 0.676 135 HB2 PRO 493 HB2 PRO 493 -2.381 7.084 -1.060 136 HB3 PRO 493 HB1 PRO 493 -2.343 7.806 0.553 137 HG2 PRO 493 HG2 PRO 493 -2.868 9.288 -1.597 138 HG3 PRO 493 HG1 PRO 493 -1.920 9.934 -0.265 139 HD2 PRO 493 HD2 PRO 493 -0.907 8.689 -2.829 140 HD3 PRO 493 HD1 PRO 493 -0.509 10.289 -2.144 141 H PHE 494 HN PHE 494 1.206 5.883 0.524 142 HA PHE 494 HA PHE 494 1.489 4.413 -1.962 143 HB2 PHE 494 HB2 PHE 494 2.689 3.462 0.555 144 HB3 PHE 494 HB1 PHE 494 3.430 3.606 -1.000 145 HD1 PHE 494 HD1 PHE 494 4.568 5.778 -1.618 146 HD2 PHE 494 HD2 PHE 494 2.811 5.153 2.193 147 HE1 PHE 494 HE1 PHE 494 5.858 7.673 -0.684 148 HE2 PHE 494 HE2 PHE 494 4.089 6.934 3.122 149 HZ PHE 494 HZ PHE 494 5.652 8.214 1.728 150 H PHE 495 HN PHE 495 0.144 2.594 -2.167 151 HA PHE 495 HA PHE 495 -1.213 1.668 0.246 152 HB2 PHE 495 HB2 PHE 495 -1.355 0.676 -2.637 153 HB3 PHE 495 HB1 PHE 495 -2.331 0.057 -1.314 154 HD1 PHE 495 HD2 PHE 495 -3.793 1.836 -0.076 155 HD2 PHE 495 HD1 PHE 495 -2.230 2.316 -4.006 156 HE1 PHE 495 HE2 PHE 495 -5.505 3.536 -0.550 157 HE2 PHE 495 HE1 PHE 495 -3.943 4.009 -4.486 158 HZ PHE 495 HZ PHE 495 -5.587 4.620 -2.757 159 H TYR 496 HN TYR 496 0.294 0.403 1.494 160 HA TYR 496 HA TYR 496 2.194 -1.211 -0.066 161 HB2 TYR 496 HB2 TYR 496 3.580 0.146 1.072 162 HB3 TYR 496 HB1 TYR 496 2.500 0.381 2.432 163 HD1 TYR 496 HD2 TYR 496 5.117 -1.818 0.962 164 HD2 TYR 496 HD1 TYR 496 2.667 -1.073 4.361 165 HE1 TYR 496 HE2 TYR 496 6.518 -3.318 2.302 166 HE2 TYR 496 HE1 TYR 496 4.068 -2.572 5.705 167 HH TYR 496 HH TYR 496 7.090 -3.684 4.664 168 H ASP 497 HN ASP 497 2.377 -3.280 0.088 169 HA ASP 497 HA ASP 497 0.315 -4.812 1.530 170 HB2 ASP 497 HB2 ASP 497 0.827 -5.226 -0.865 171 HB3 ASP 497 HB1 ASP 497 2.483 -5.651 -0.449 172 H HIS 498 HN HIS 498 0.959 -6.495 3.085 173 HA HIS 498 HA HIS 498 3.648 -6.040 4.191 174 HB2 HIS 498 HB2 HIS 498 1.207 -7.163 5.579 175 HB3 HIS 498 HB1 HIS 498 2.776 -6.901 6.328 176 HD1 HIS 498 HD1 HIS 498 1.707 -4.217 4.058 177 HD2 HIS 498 HD2 HIS 498 1.346 -5.098 8.090 178 HE1 HIS 498 HE1 HIS 498 0.837 -2.148 5.099 179 HE2 HIS 498 HE2 HIS 498 0.419 -2.757 7.517 180 H ASN 499 HN ASN 499 1.714 -8.469 2.695 181 HA ASN 499 HA ASN 499 3.292 -10.634 3.822 182 HB2 ASN 499 HB2 ASN 499 1.928 -12.111 2.342 183 HB3 ASN 499 HB1 ASN 499 0.973 -11.156 3.467 184 HD21 ASN 499 HD21 ASN 499 1.841 -11.644 0.138 185 HD22 ASN 499 HD22 ASN 499 0.591 -10.667 -0.543 186 H THR 500 HN THR 500 3.393 -8.523 1.186 187 HA THR 500 HA THR 500 5.626 -10.076 0.033 188 HB THR 500 HB THR 500 4.255 -7.829 -1.419 189 HG1 THR 500 HG1 THR 500 2.645 -9.379 -0.677 190 HG21 THR 500 HG21 THR 500 6.317 -8.765 -2.360 191 HG22 THR 500 HG22 THR 500 4.934 -9.129 -3.391 192 HG23 THR 500 HG23 THR 500 5.601 -10.377 -2.341 193 H LYS 501 HN LYS 501 4.721 -7.365 1.806 194 HA LYS 501 HA LYS 501 5.608 -5.357 2.360 195 HB2 LYS 501 HB2 LYS 501 8.188 -6.830 1.873 196 HB3 LYS 501 HB1 LYS 501 8.059 -5.287 2.690 197 HG2 LYS 501 HG2 LYS 501 6.626 -6.377 4.406 198 HG3 LYS 501 HG1 LYS 501 6.953 -7.925 3.624 199 HD2 LYS 501 HD2 LYS 501 9.054 -6.071 4.758 200 HD3 LYS 501 HD1 LYS 501 8.424 -7.507 5.567 201 HE2 LYS 501 HE2 LYS 501 9.758 -7.550 2.867 202 HE3 LYS 501 HE1 LYS 501 10.610 -7.827 4.385 203 HZ1 LYS 501 HZ1 LYS 501 9.371 -9.776 4.786 204 HZ2 LYS 501 HZ2 LYS 501 9.854 -9.870 3.163 205 HZ3 LYS 501 HZ3 LYS 501 8.262 -9.434 3.549 206 H THR 502 HN THR 502 4.680 -5.206 -0.093 207 HA THR 502 HA THR 502 6.801 -3.857 -1.615 208 HB THR 502 HB THR 502 5.977 -5.813 -2.817 209 HG1 THR 502 HG1 THR 502 6.450 -4.425 -4.354 210 HG21 THR 502 HG21 THR 502 3.731 -5.972 -1.878 211 HG22 THR 502 HG22 THR 502 3.668 -5.924 -3.641 212 HG23 THR 502 HG23 THR 502 3.268 -4.484 -2.705 213 H THR 503 HN THR 503 6.593 -1.767 -1.950 214 HA THR 503 HA THR 503 4.161 -0.393 -1.146 215 HB THR 503 HB THR 503 5.625 1.645 -1.806 216 HG1 THR 503 HG1 THR 503 7.279 0.681 -2.908 217 HG21 THR 503 HG21 THR 503 5.230 1.307 0.485 218 HG22 THR 503 HG22 THR 503 6.983 1.393 0.342 219 HG23 THR 503 HG23 THR 503 6.189 -0.171 0.519 220 H THR 504 HN THR 504 2.647 0.229 -2.596 221 HA THR 504 HA THR 504 3.451 0.529 -5.402 222 HB THR 504 HB THR 504 2.422 -1.752 -4.930 223 HG1 THR 504 HG1 THR 504 1.248 -1.657 -6.871 224 HG21 THR 504 HG21 THR 504 0.678 -1.069 -3.376 225 HG22 THR 504 HG22 THR 504 -0.019 -1.863 -4.788 226 HG23 THR 504 HG23 THR 504 -0.088 -0.107 -4.640 227 H TRP 505 HN TRP 505 2.205 2.030 -6.581 228 HA TRP 505 HA TRP 505 0.405 3.672 -4.947 229 HB2 TRP 505 HB2 TRP 505 1.133 4.286 -7.792 230 HB3 TRP 505 HB1 TRP 505 0.639 5.389 -6.518 231 HD1 TRP 505 HD1 TRP 505 3.627 4.021 -8.239 232 HE1 TRP 505 HE1 TRP 505 5.770 4.981 -7.189 233 HE3 TRP 505 HE3 TRP 505 1.650 6.044 -3.914 234 HZ2 TRP 505 HZ2 TRP 505 6.513 6.396 -4.902 235 HZ3 TRP 505 HZ3 TRP 505 3.163 7.182 -2.406 236 HH2 TRP 505 HH2 TRP 505 5.537 7.363 -2.871 237 H GLU 506 HN GLU 506 0.354 1.072 -6.943 238 HA GLU 506 HA GLU 506 -2.029 1.693 -8.455 239 HB2 GLU 506 HB2 GLU 506 -0.518 -0.912 -8.176 240 HB3 GLU 506 HB1 GLU 506 -1.756 -0.553 -9.374 241 HG2 GLU 506 HG2 GLU 506 0.923 0.808 -9.143 242 HG3 GLU 506 HG1 GLU 506 0.481 -0.424 -10.324 243 H ASP 507 HN ASP 507 -4.005 0.573 -8.226 244 HA ASP 507 HA ASP 507 -4.829 0.411 -5.545 245 HB2 ASP 507 HB2 ASP 507 -6.288 1.125 -7.359 246 HB3 ASP 507 HB1 ASP 507 -6.273 -0.503 -8.034 247 HA PRO 508 HA PRO 508 -3.504 -3.765 -4.767 248 HB2 PRO 508 HB2 PRO 508 -4.234 -3.382 -2.069 249 HB3 PRO 508 HB1 PRO 508 -2.623 -3.235 -2.774 250 HG2 PRO 508 HG2 PRO 508 -4.101 -1.161 -1.721 251 HG3 PRO 508 HG1 PRO 508 -2.745 -0.997 -2.836 252 HD2 PRO 508 HD2 PRO 508 -5.658 -0.854 -3.362 253 HD3 PRO 508 HD1 PRO 508 -4.325 0.070 -4.090 254 H ARG 509 HN ARG 509 -6.530 -2.627 -4.779 255 HA ARG 509 HA ARG 509 -7.694 -4.697 -3.170 256 HB2 ARG 509 HB2 ARG 509 -9.058 -2.492 -4.724 257 HB3 ARG 509 HB1 ARG 509 -9.703 -3.421 -3.363 258 HG2 ARG 509 HG2 ARG 509 -7.856 -2.473 -1.933 259 HG3 ARG 509 HG1 ARG 509 -7.431 -1.446 -3.301 260 HD2 ARG 509 HD2 ARG 509 -10.199 -1.432 -2.147 261 HD3 ARG 509 HD1 ARG 509 -8.909 -0.405 -1.524 262 HE ARG 509 HE ARG 509 -8.936 0.019 -4.248 263 HH11 ARG 509 HH11 ARG 509 -11.271 0.335 -1.652 264 HH12 ARG 509 HH12 ARG 509 -12.064 1.713 -2.364 265 HH21 ARG 509 HH21 ARG 509 -9.944 1.816 -5.170 266 HH22 ARG 509 HH22 ARG 509 -11.295 2.570 -4.374 267 H LEU 510 HN LEU 510 -6.452 -3.945 -6.097 268 HA LEU 510 HA LEU 510 -7.976 -5.553 -7.704 269 HB2 LEU 510 HB2 LEU 510 -6.295 -5.468 -9.356 270 HB3 LEU 510 HB1 LEU 510 -6.181 -3.944 -8.503 271 HG LEU 510 HG LEU 510 -4.295 -5.136 -7.131 272 HD11 LEU 510 HD11 LEU 510 -4.295 -6.806 -9.644 273 HD12 LEU 510 HD12 LEU 510 -4.644 -7.384 -8.016 274 HD13 LEU 510 HD13 LEU 510 -3.034 -6.786 -8.411 275 HD21 LEU 510 HD21 LEU 510 -2.626 -4.416 -8.743 276 HD22 LEU 510 HD22 LEU 510 -3.937 -3.241 -8.630 277 HD23 LEU 510 HD23 LEU 510 -3.855 -4.343 -10.005 278 H LYS 511 HN LYS 511 -5.747 -6.115 -5.265 279 HA LYS 511 HA LYS 511 -4.841 -8.744 -5.969 280 HB2 LYS 511 HB2 LYS 511 -3.214 -7.551 -4.892 281 HB3 LYS 511 HB1 LYS 511 -4.332 -6.751 -3.821 282 HG2 LYS 511 HG2 LYS 511 -3.887 -9.650 -3.412 283 HG3 LYS 511 HG1 LYS 511 -2.584 -8.541 -2.979 284 HD2 LYS 511 HD2 LYS 511 -4.325 -7.225 -1.662 285 HD3 LYS 511 HD1 LYS 511 -5.407 -8.590 -1.935 286 HE2 LYS 511 HE2 LYS 511 -4.208 -8.622 0.266 287 HE3 LYS 511 HE1 LYS 511 -4.025 -10.073 -0.711 288 HZ1 LYS 511 HZ1 LYS 511 -2.003 -7.895 -0.483 289 HZ2 LYS 511 HZ2 LYS 511 -1.830 -9.319 -1.378 290 HZ3 LYS 511 HZ3 LYS 511 -1.938 -9.389 0.307 291 H PHE 512 HN PHE 512 -7.604 -7.569 -4.619 292 HA PHE 512 HA PHE 512 -8.319 -9.046 -2.589 293 HB2 PHE 512 HB2 PHE 512 -9.865 -7.867 -4.683 294 HB3 PHE 512 HB1 PHE 512 -10.711 -9.040 -3.676 295 HD1 PHE 512 HD2 PHE 512 -8.171 -6.331 -2.997 296 HD2 PHE 512 HD1 PHE 512 -12.015 -8.023 -2.120 297 HE1 PHE 512 HE2 PHE 512 -8.533 -4.673 -1.233 298 HE2 PHE 512 HE1 PHE 512 -12.360 -6.339 -0.363 299 HZ PHE 512 HZ PHE 512 -10.620 -4.657 0.084 300 HA PRO 513 HA PRO 513 -9.655 -12.818 -5.565 301 HB2 PRO 513 HB2 PRO 513 -6.980 -12.311 -6.823 302 HB3 PRO 513 HB1 PRO 513 -8.434 -13.037 -7.529 303 HG2 PRO 513 HG2 PRO 513 -7.887 -10.484 -8.012 304 HG3 PRO 513 HG1 PRO 513 -9.556 -10.978 -7.650 305 HD2 PRO 513 HD2 PRO 513 -7.569 -9.610 -5.845 306 HD3 PRO 513 HD1 PRO 513 -9.302 -9.384 -5.892 307 H VAL 514 HN VAL 514 -7.092 -11.990 -3.471 308 HA VAL 514 HA VAL 514 -5.400 -14.092 -3.343 309 HB VAL 514 HB VAL 514 -5.001 -13.684 -0.983 310 HG11 VAL 514 HG11 VAL 514 -3.927 -12.112 -2.399 311 HG12 VAL 514 HG12 VAL 514 -4.620 -11.196 -1.050 312 HG13 VAL 514 HG13 VAL 514 -5.418 -11.202 -2.625 313 HG21 VAL 514 HG21 VAL 514 -7.484 -11.979 -1.124 314 HG22 VAL 514 HG22 VAL 514 -6.383 -12.068 0.252 315 HG23 VAL 514 HG23 VAL 514 -7.300 -13.494 -0.240 316 H HIS 515 HN HIS 515 -8.518 -14.432 -2.929 317 HA HIS 515 HA HIS 515 -9.974 -15.942 -1.961 318 HB2 HIS 515 HB2 HIS 515 -9.419 -18.304 -2.704 319 HB3 HIS 515 HB1 HIS 515 -9.482 -17.088 -3.969 320 HD1 HIS 515 HD1 HIS 515 -7.141 -16.302 -4.939 321 HD2 HIS 515 HD2 HIS 515 -7.009 -19.650 -2.479 322 HE1 HIS 515 HE1 HIS 515 -4.872 -17.316 -5.300 323 HE2 HIS 515 HE2 HIS 515 -4.750 -19.244 -3.682 324 H1 ALA 202 HT1 ALA 202 7.459 -4.820 11.523 325 H2 ALA 202 HT2 ALA 202 8.368 -5.615 10.335 326 H3 ALA 202 HT3 ALA 202 6.844 -4.983 9.949 327 HA ALA 202 HA ALA 202 9.280 -3.459 10.655 328 HB1 ALA 202 HB1 ALA 202 7.688 -3.586 8.093 329 HB2 ALA 202 HB2 ALA 202 9.256 -4.344 8.370 330 HB3 ALA 202 HB3 ALA 202 9.110 -2.586 8.380 331 H GLY 203 HN GLY 203 8.758 -1.065 9.788 332 HA2 GLY 203 HA2 GLY 203 6.637 -0.142 11.532 333 HA3 GLY 203 HA1 GLY 203 7.774 0.859 10.640 334 H SEP 204 HN SEP 204 6.186 2.262 9.917 335 HA SEP 204 HA SEP 204 4.036 1.155 8.276 336 HB2 SEP 204 HB2 SEP 204 3.761 3.929 8.333 337 HB3 SEP 204 HB1 SEP 204 2.892 2.765 9.333 338 HA PRO 205 HA PRO 205 5.851 1.995 4.362 339 HB2 PRO 205 HB2 PRO 205 3.326 3.187 3.484 340 HB3 PRO 205 HB1 PRO 205 4.130 1.730 2.914 341 HG2 PRO 205 HG2 PRO 205 1.848 1.767 4.461 342 HG3 PRO 205 HG1 PRO 205 2.950 0.398 4.291 343 HD2 PRO 205 HD2 PRO 205 2.524 2.163 6.568 344 HD3 PRO 205 HD1 PRO 205 3.319 0.578 6.492 345 H ASN 206 HN ASN 206 7.286 3.715 4.649 346 HA ASN 206 HA ASN 206 6.158 6.312 3.886 347 HB2 ASN 206 HB2 ASN 206 7.000 6.940 5.855 348 HB3 ASN 206 HB1 ASN 206 8.201 5.650 5.910 349 HD21 ASN 206 HD21 ASN 206 10.223 6.019 5.003 350 HD22 ASN 206 HD22 ASN 206 10.766 7.596 4.552 351 H LEU 207 HN LEU 207 8.138 3.788 2.902 352 HA LEU 207 HA LEU 207 9.959 5.344 1.323 353 HB2 LEU 207 HB2 LEU 207 10.702 3.170 0.407 354 HB3 LEU 207 HB1 LEU 207 10.771 3.256 2.153 355 HG LEU 207 HG LEU 207 8.440 1.947 0.769 356 HD11 LEU 207 HD11 LEU 207 11.058 0.655 1.537 357 HD12 LEU 207 HD12 LEU 207 10.462 0.893 -0.105 358 HD13 LEU 207 HD13 LEU 207 9.609 -0.192 0.994 359 HD21 LEU 207 HD21 LEU 207 8.312 0.701 2.877 360 HD22 LEU 207 HD22 LEU 207 8.212 2.442 3.152 361 HD23 LEU 207 HD23 LEU 207 9.716 1.582 3.482 362 H SEP 208 HN SEP 208 9.343 6.374 -0.420 363 HA SEP 208 HA SEP 208 7.047 5.579 -1.955 364 HB2 SEP 208 HB2 SEP 208 9.074 7.747 -2.591 365 HB3 SEP 208 HB1 SEP 208 7.441 7.603 -3.231 366 HA PRO 209 HA PRO 209 9.641 2.949 -4.564 367 HB2 PRO 209 HB2 PRO 209 7.570 1.912 -6.000 368 HB3 PRO 209 HB1 PRO 209 8.056 1.301 -4.415 369 HG2 PRO 209 HG2 PRO 209 5.807 3.117 -5.147 370 HG3 PRO 209 HG1 PRO 209 5.857 1.819 -3.941 371 HD2 PRO 209 HD2 PRO 209 6.054 4.458 -3.329 372 HD3 PRO 209 HD1 PRO 209 6.773 3.185 -2.339 373 H ASN 210 HN ASN 210 10.686 3.782 -6.240 374 HA ASN 210 HA ASN 210 9.448 5.773 -7.927 375 HB2 ASN 210 HB2 ASN 210 11.738 5.773 -9.050 376 HB3 ASN 210 HB1 ASN 210 11.697 6.266 -7.361 377 HD21 ASN 210 HD21 ASN 210 12.665 4.982 -5.813 378 HD22 ASN 210 HD22 ASN 210 13.693 3.644 -6.210 379 HA PRO 211 HA PRO 211 8.197 2.585 -10.803 380 HB2 PRO 211 HB2 PRO 211 6.773 4.671 -12.212 381 HB3 PRO 211 HB1 PRO 211 6.118 3.350 -11.243 382 HG2 PRO 211 HG2 PRO 211 5.977 5.977 -10.504 383 HG3 PRO 211 HG1 PRO 211 5.990 4.629 -9.353 384 HD2 PRO 211 HD2 PRO 211 8.237 6.426 -10.194 385 HD3 PRO 211 HD1 PRO 211 7.823 5.819 -8.574 Start of MODEL 10 1 H GLN 476 HT1 GLN 476 -7.399 -3.378 6.843 2 HA GLN 476 HA GLN 476 -7.952 -0.509 7.273 3 HB2 GLN 476 HB2 GLN 476 -7.009 -2.108 4.896 4 HB3 GLN 476 HB1 GLN 476 -7.495 -0.423 4.811 5 HG2 GLN 476 HG2 GLN 476 -5.337 -1.413 6.615 6 HG3 GLN 476 HG1 GLN 476 -5.025 -0.843 4.979 7 HE21 GLN 476 HE21 GLN 476 -5.841 0.020 8.227 8 HE22 GLN 476 HE22 GLN 476 -5.692 1.734 8.029 9 H SER 477 HN SER 477 -9.553 0.361 5.841 10 HA SER 477 HA SER 477 -11.868 -1.450 5.805 11 HB2 SER 477 HB2 SER 477 -11.887 1.572 5.874 12 HB3 SER 477 HB1 SER 477 -13.256 0.493 6.135 13 HG SER 477 HG SER 477 -11.732 1.454 7.974 14 H PHE 478 HN PHE 478 -9.835 0.329 3.698 15 HA PHE 478 HA PHE 478 -11.825 0.651 1.522 16 HB2 PHE 478 HB2 PHE 478 -8.983 0.434 0.753 17 HB3 PHE 478 HB1 PHE 478 -10.107 1.723 0.357 18 HD1 PHE 478 HD2 PHE 478 -10.618 2.658 3.265 19 HD2 PHE 478 HD1 PHE 478 -7.105 1.599 1.071 20 HE1 PHE 478 HE2 PHE 478 -9.175 3.815 4.912 21 HE2 PHE 478 HE1 PHE 478 -5.751 2.685 2.695 22 HZ PHE 478 HZ PHE 478 -6.729 3.686 4.583 23 H LEU 479 HN LEU 479 -9.683 -1.626 2.994 24 HA LEU 479 HA LEU 479 -8.333 -2.131 0.475 25 HB2 LEU 479 HB2 LEU 479 -7.600 -0.017 1.546 26 HB3 LEU 479 HB1 LEU 479 -7.011 -0.836 2.967 27 HG LEU 479 HG LEU 479 -5.573 -2.108 1.034 28 HD11 LEU 479 HD11 LEU 479 -6.928 -0.496 -0.551 29 HD12 LEU 479 HD12 LEU 479 -5.235 -0.876 -0.857 30 HD13 LEU 479 HD13 LEU 479 -5.665 0.643 -0.074 31 HD21 LEU 479 HD21 LEU 479 -4.686 -0.803 2.964 32 HD22 LEU 479 HD22 LEU 479 -4.877 0.663 1.999 33 HD23 LEU 479 HD23 LEU 479 -3.762 -0.606 1.471 34 HA PRO 480 HA PRO 480 -8.102 -6.281 1.731 35 HB2 PRO 480 HB2 PRO 480 -5.403 -6.594 0.802 36 HB3 PRO 480 HB1 PRO 480 -6.769 -7.177 0.102 37 HG2 PRO 480 HG2 PRO 480 -5.283 -5.155 -0.929 38 HG3 PRO 480 HG1 PRO 480 -6.939 -5.540 -1.406 39 HD2 PRO 480 HD2 PRO 480 -5.933 -3.300 0.153 40 HD3 PRO 480 HD1 PRO 480 -7.512 -3.517 -0.617 41 HA PRO 481 HA PRO 481 -5.685 -6.913 5.464 42 HB2 PRO 481 HB2 PRO 481 -5.329 -9.745 4.871 43 HB3 PRO 481 HB1 PRO 481 -6.360 -8.984 6.083 44 HG2 PRO 481 HG2 PRO 481 -7.359 -10.249 3.915 45 HG3 PRO 481 HG1 PRO 481 -8.162 -8.853 4.658 46 HD2 PRO 481 HD2 PRO 481 -6.408 -8.956 2.226 47 HD3 PRO 481 HD1 PRO 481 -7.946 -8.098 2.469 48 H GLY 482 HN GLY 482 -4.060 -6.207 3.101 49 HA2 GLY 482 HA2 GLY 482 -1.529 -7.601 3.798 50 HA3 GLY 482 HA1 GLY 482 -1.885 -6.983 2.155 51 H TRP 483 HN TRP 483 -3.068 -4.885 4.635 52 HA TRP 483 HA TRP 483 -1.276 -3.215 3.047 53 HB2 TRP 483 HB2 TRP 483 -4.273 -3.145 3.064 54 HB3 TRP 483 HB1 TRP 483 -3.228 -2.001 2.209 55 HD1 TRP 483 HD1 TRP 483 -4.675 -5.447 1.862 56 HE1 TRP 483 HE1 TRP 483 -3.734 -6.572 -0.242 57 HE3 TRP 483 HE3 TRP 483 -1.110 -2.109 0.644 58 HZ2 TRP 483 HZ2 TRP 483 -1.947 -6.160 -2.045 59 HZ3 TRP 483 HZ3 TRP 483 0.204 -2.610 -1.307 60 HH2 TRP 483 HH2 TRP 483 -0.185 -4.541 -2.693 61 H GLU 484 HN GLU 484 -0.745 -1.413 3.589 62 HA GLU 484 HA GLU 484 -1.905 -0.039 5.920 63 HB2 GLU 484 HB2 GLU 484 0.288 -1.065 6.508 64 HB3 GLU 484 HB1 GLU 484 1.025 -0.245 5.160 65 HG2 GLU 484 HG2 GLU 484 1.457 0.712 7.418 66 HG3 GLU 484 HG1 GLU 484 0.877 1.836 6.199 67 H MET 485 HN MET 485 -2.968 1.597 4.896 68 HA MET 485 HA MET 485 -1.826 2.716 2.466 69 HB2 MET 485 HB2 MET 485 -4.273 2.220 2.674 70 HB3 MET 485 HB1 MET 485 -4.373 3.530 3.841 71 HG2 MET 485 HG2 MET 485 -3.351 3.906 1.039 72 HG3 MET 485 HG1 MET 485 -5.048 4.072 1.472 73 HE1 MET 485 HE1 MET 485 -5.979 5.955 3.113 74 HE2 MET 485 HE2 MET 485 -4.955 7.142 3.921 75 HE3 MET 485 HE3 MET 485 -4.848 5.438 4.364 76 H ARG 486 HN ARG 486 -0.281 4.158 2.796 77 HA ARG 486 HA ARG 486 -0.826 6.206 4.817 78 HB2 ARG 486 HB2 ARG 486 1.892 5.122 4.076 79 HB3 ARG 486 HB1 ARG 486 1.570 6.396 5.245 80 HG2 ARG 486 HG2 ARG 486 0.245 4.770 6.565 81 HG3 ARG 486 HG1 ARG 486 0.741 3.514 5.432 82 HD2 ARG 486 HD2 ARG 486 2.213 3.334 7.246 83 HD3 ARG 486 HD1 ARG 486 3.123 4.153 5.981 84 HE ARG 486 HE ARG 486 3.296 5.987 7.332 85 HH11 ARG 486 HH11 ARG 486 0.673 3.966 8.524 86 HH12 ARG 486 HH12 ARG 486 0.555 4.808 10.039 87 HH21 ARG 486 HH21 ARG 486 3.122 7.085 9.327 88 HH22 ARG 486 HH22 ARG 486 1.914 6.608 10.477 89 H ILE 487 HN ILE 487 -1.329 7.938 3.849 90 HA ILE 487 HA ILE 487 -0.020 8.838 1.410 91 HB ILE 487 HB ILE 487 -2.286 9.241 1.356 92 HG12 ILE 487 HG12 ILE 487 -0.679 11.716 2.061 93 HG13 ILE 487 HG11 ILE 487 -1.164 11.118 0.479 94 HG21 ILE 487 HG21 ILE 487 -3.518 10.411 3.149 95 HG22 ILE 487 HG22 ILE 487 -2.066 10.337 4.148 96 HG23 ILE 487 HG23 ILE 487 -2.857 8.844 3.625 97 HD11 ILE 487 HD11 ILE 487 -2.405 13.109 1.080 98 HD12 ILE 487 HD12 ILE 487 -3.018 12.308 2.528 99 HD13 ILE 487 HD13 ILE 487 -3.479 11.716 0.930 100 H ALA 488 HN ALA 488 1.741 9.778 1.469 101 HA ALA 488 HA ALA 488 2.886 10.177 4.054 102 HB1 ALA 488 HB1 ALA 488 4.023 8.830 2.355 103 HB2 ALA 488 HB2 ALA 488 5.009 10.178 2.917 104 HB3 ALA 488 HB3 ALA 488 4.198 10.270 1.354 105 HA PRO 489 HA PRO 489 2.717 14.598 4.039 106 HB2 PRO 489 HB2 PRO 489 5.252 15.245 4.938 107 HB3 PRO 489 HB1 PRO 489 3.888 14.791 5.962 108 HG2 PRO 489 HG2 PRO 489 6.166 13.129 4.987 109 HG3 PRO 489 HG1 PRO 489 5.367 13.124 6.569 110 HD2 PRO 489 HD2 PRO 489 4.874 11.225 4.738 111 HD3 PRO 489 HD1 PRO 489 3.596 11.836 5.810 112 H ASN 490 HN ASN 490 4.566 13.011 1.735 113 HA ASN 490 HA ASN 490 5.387 15.592 0.572 114 HB2 ASN 490 HB2 ASN 490 6.746 14.216 -1.027 115 HB3 ASN 490 HB1 ASN 490 7.257 14.098 0.651 116 HD21 ASN 490 HD21 ASN 490 7.893 12.232 -1.384 117 HD22 ASN 490 HD22 ASN 490 7.191 10.727 -0.914 118 H GLY 491 HN GLY 491 3.029 13.191 0.468 119 HA2 GLY 491 HA2 GLY 491 1.029 13.704 -0.820 120 HA3 GLY 491 HA1 GLY 491 2.079 14.234 -2.132 121 H ARG 492 HN ARG 492 2.300 11.365 -0.098 122 HA ARG 492 HA ARG 492 2.084 9.726 -2.524 123 HB2 ARG 492 HB2 ARG 492 4.221 9.507 -0.407 124 HB3 ARG 492 HB1 ARG 492 4.031 8.428 -1.750 125 HG2 ARG 492 HG2 ARG 492 4.161 10.822 -3.006 126 HG3 ARG 492 HG1 ARG 492 5.206 11.040 -1.609 127 HD2 ARG 492 HD2 ARG 492 6.500 9.093 -2.227 128 HD3 ARG 492 HD1 ARG 492 5.455 8.844 -3.625 129 HE ARG 492 HE ARG 492 7.351 11.072 -3.267 130 HH11 ARG 492 HH11 ARG 492 5.258 9.154 -5.319 131 HH12 ARG 492 HH12 ARG 492 5.885 9.813 -6.801 132 HH21 ARG 492 HH21 ARG 492 8.200 11.926 -5.214 133 HH22 ARG 492 HH22 ARG 492 7.556 11.384 -6.734 134 HA PRO 493 HA PRO 493 -0.186 7.197 0.506 135 HB2 PRO 493 HB2 PRO 493 -2.172 6.889 -1.564 136 HB3 PRO 493 HB1 PRO 493 -2.355 7.654 0.018 137 HG2 PRO 493 HG2 PRO 493 -2.463 9.085 -2.245 138 HG3 PRO 493 HG1 PRO 493 -1.761 9.745 -0.774 139 HD2 PRO 493 HD2 PRO 493 -0.335 8.448 -3.102 140 HD3 PRO 493 HD1 PRO 493 -0.018 10.036 -2.349 141 H PHE 494 HN PHE 494 1.208 5.656 0.469 142 HA PHE 494 HA PHE 494 1.650 4.104 -1.945 143 HB2 PHE 494 HB2 PHE 494 2.679 3.199 0.662 144 HB3 PHE 494 HB1 PHE 494 3.505 3.295 -0.849 145 HD1 PHE 494 HD2 PHE 494 2.644 5.020 2.234 146 HD2 PHE 494 HD1 PHE 494 4.827 5.332 -1.414 147 HE1 PHE 494 HE2 PHE 494 3.955 6.753 3.203 148 HE2 PHE 494 HE1 PHE 494 6.135 7.174 -0.422 149 HZ PHE 494 HZ PHE 494 5.729 7.854 1.920 150 H PHE 495 HN PHE 495 0.201 2.389 -2.224 151 HA PHE 495 HA PHE 495 -1.186 1.370 0.129 152 HB2 PHE 495 HB2 PHE 495 -1.292 0.486 -2.789 153 HB3 PHE 495 HB1 PHE 495 -2.294 -0.167 -1.501 154 HD1 PHE 495 HD1 PHE 495 -3.680 1.647 -0.177 155 HD2 PHE 495 HD2 PHE 495 -2.175 2.138 -4.127 156 HE1 PHE 495 HE1 PHE 495 -5.369 3.381 -0.603 157 HE2 PHE 495 HE2 PHE 495 -3.854 3.881 -4.553 158 HZ PHE 495 HZ PHE 495 -5.457 4.503 -2.790 159 H TYR 496 HN TYR 496 0.477 0.191 1.329 160 HA TYR 496 HA TYR 496 2.214 -1.546 -0.294 161 HB2 TYR 496 HB2 TYR 496 3.721 -0.186 0.706 162 HB3 TYR 496 HB1 TYR 496 2.755 0.083 2.150 163 HD1 TYR 496 HD2 TYR 496 5.162 -2.243 0.486 164 HD2 TYR 496 HD1 TYR 496 3.031 -1.357 4.066 165 HE1 TYR 496 HE2 TYR 496 6.581 -3.806 1.720 166 HE2 TYR 496 HE1 TYR 496 4.452 -2.931 5.299 167 HH TYR 496 HH TYR 496 7.321 -4.162 4.077 168 H ASP 497 HN ASP 497 2.294 -3.618 -0.088 169 HA ASP 497 HA ASP 497 0.291 -4.978 1.587 170 HB2 ASP 497 HB2 ASP 497 0.582 -5.530 -0.816 171 HB3 ASP 497 HB1 ASP 497 2.229 -6.073 -0.491 172 H HIS 498 HN HIS 498 0.965 -6.689 3.087 173 HA HIS 498 HA HIS 498 3.755 -6.414 3.991 174 HB2 HIS 498 HB2 HIS 498 1.279 -7.085 5.594 175 HB3 HIS 498 HB1 HIS 498 2.915 -7.077 6.241 176 HD1 HIS 498 HD1 HIS 498 0.948 -4.555 4.189 177 HD2 HIS 498 HD2 HIS 498 3.214 -4.769 7.655 178 HE1 HIS 498 HE1 HIS 498 0.996 -2.247 5.072 179 HE2 HIS 498 HE2 HIS 498 2.225 -2.408 7.284 180 H ASN 499 HN ASN 499 1.816 -8.606 2.400 181 HA ASN 499 HA ASN 499 3.231 -10.869 3.640 182 HB2 ASN 499 HB2 ASN 499 1.671 -12.351 2.378 183 HB3 ASN 499 HB1 ASN 499 0.877 -11.320 3.558 184 HD21 ASN 499 HD21 ASN 499 1.466 -11.832 0.145 185 HD22 ASN 499 HD22 ASN 499 0.131 -10.906 -0.422 186 H THR 500 HN THR 500 3.198 -8.858 0.911 187 HA THR 500 HA THR 500 5.391 -10.506 -0.155 188 HB THR 500 HB THR 500 3.411 -10.640 -1.647 189 HG1 THR 500 HG1 THR 500 5.809 -10.424 -2.342 190 HG21 THR 500 HG21 THR 500 2.450 -8.440 -1.237 191 HG22 THR 500 HG22 THR 500 2.750 -8.679 -2.959 192 HG23 THR 500 HG23 THR 500 3.841 -7.675 -2.003 193 H LYS 501 HN LYS 501 4.618 -7.731 1.370 194 HA LYS 501 HA LYS 501 5.657 -5.756 1.796 195 HB2 LYS 501 HB2 LYS 501 7.936 -7.485 0.936 196 HB3 LYS 501 HB1 LYS 501 8.210 -5.810 1.342 197 HG2 LYS 501 HG2 LYS 501 8.709 -7.184 3.242 198 HG3 LYS 501 HG1 LYS 501 7.281 -6.208 3.580 199 HD2 LYS 501 HD2 LYS 501 5.864 -8.163 3.049 200 HD3 LYS 501 HD1 LYS 501 7.325 -9.125 2.808 201 HE2 LYS 501 HE2 LYS 501 6.652 -7.690 5.374 202 HE3 LYS 501 HE1 LYS 501 6.265 -9.381 5.063 203 HZ1 LYS 501 HZ1 LYS 501 8.365 -8.967 6.328 204 HZ2 LYS 501 HZ2 LYS 501 9.030 -8.308 4.913 205 HZ3 LYS 501 HZ3 LYS 501 8.542 -9.932 4.949 206 H THR 502 HN THR 502 4.289 -5.508 -0.475 207 HA THR 502 HA THR 502 6.150 -4.341 -2.430 208 HB THR 502 HB THR 502 3.286 -5.233 -2.812 209 HG1 THR 502 HG1 THR 502 5.546 -6.588 -2.835 210 HG21 THR 502 HG21 THR 502 3.646 -4.761 -5.190 211 HG22 THR 502 HG22 THR 502 5.247 -4.116 -4.827 212 HG23 THR 502 HG23 THR 502 3.808 -3.293 -4.225 213 H THR 503 HN THR 503 6.377 -2.223 -2.320 214 HA THR 503 HA THR 503 4.209 -0.517 -1.389 215 HB THR 503 HB THR 503 5.960 1.309 -2.026 216 HG1 THR 503 HG1 THR 503 7.543 0.330 -3.097 217 HG21 THR 503 HG21 THR 503 5.484 0.867 0.267 218 HG22 THR 503 HG22 THR 503 7.238 0.877 0.087 219 HG23 THR 503 HG23 THR 503 6.375 -0.654 0.220 220 H THR 504 HN THR 504 2.710 0.168 -2.795 221 HA THR 504 HA THR 504 3.477 0.604 -5.588 222 HB THR 504 HB THR 504 2.506 -1.733 -5.212 223 HG1 THR 504 HG1 THR 504 1.846 -1.598 -7.249 224 HG21 THR 504 HG21 THR 504 0.732 -1.151 -3.650 225 HG22 THR 504 HG22 THR 504 0.070 -1.902 -5.102 226 HG23 THR 504 HG23 THR 504 -0.040 -0.154 -4.884 227 H TRP 505 HN TRP 505 2.174 2.180 -6.652 228 HA TRP 505 HA TRP 505 0.277 3.548 -4.880 229 HB2 TRP 505 HB2 TRP 505 0.854 4.515 -7.651 230 HB3 TRP 505 HB1 TRP 505 0.421 5.434 -6.218 231 HD1 TRP 505 HD1 TRP 505 3.334 4.280 -8.248 232 HE1 TRP 505 HE1 TRP 505 5.518 5.207 -7.275 233 HE3 TRP 505 HE3 TRP 505 1.617 6.000 -3.664 234 HZ2 TRP 505 HZ2 TRP 505 6.395 6.485 -4.951 235 HZ3 TRP 505 HZ3 TRP 505 3.215 7.053 -2.192 236 HH2 TRP 505 HH2 TRP 505 5.544 7.308 -2.802 237 H GLU 506 HN GLU 506 0.347 1.081 -7.012 238 HA GLU 506 HA GLU 506 -2.042 1.570 -8.536 239 HB2 GLU 506 HB2 GLU 506 -0.657 -1.070 -8.029 240 HB3 GLU 506 HB1 GLU 506 -1.741 -0.675 -9.356 241 HG2 GLU 506 HG2 GLU 506 0.975 0.548 -8.916 242 HG3 GLU 506 HG1 GLU 506 0.621 -0.769 -10.030 243 H ASP 507 HN ASP 507 -4.054 0.479 -8.254 244 HA ASP 507 HA ASP 507 -4.880 0.300 -5.556 245 HB2 ASP 507 HB2 ASP 507 -6.432 1.011 -7.259 246 HB3 ASP 507 HB1 ASP 507 -6.292 -0.531 -8.098 247 HA PRO 508 HA PRO 508 -3.449 -3.881 -4.833 248 HB2 PRO 508 HB2 PRO 508 -3.721 -3.763 -2.218 249 HB3 PRO 508 HB1 PRO 508 -2.484 -2.785 -3.018 250 HG2 PRO 508 HG2 PRO 508 -5.237 -1.991 -2.137 251 HG3 PRO 508 HG1 PRO 508 -3.700 -1.197 -1.821 252 HD2 PRO 508 HD2 PRO 508 -5.323 -0.381 -3.782 253 HD3 PRO 508 HD1 PRO 508 -3.554 -0.294 -3.927 254 H ARG 509 HN ARG 509 -6.464 -2.681 -4.777 255 HA ARG 509 HA ARG 509 -7.625 -4.813 -3.251 256 HB2 ARG 509 HB2 ARG 509 -9.014 -2.565 -4.701 257 HB3 ARG 509 HB1 ARG 509 -9.641 -3.551 -3.384 258 HG2 ARG 509 HG2 ARG 509 -7.789 -2.637 -1.934 259 HG3 ARG 509 HG1 ARG 509 -7.432 -1.515 -3.253 260 HD2 ARG 509 HD2 ARG 509 -10.106 -1.700 -1.886 261 HD3 ARG 509 HD1 ARG 509 -8.852 -0.535 -1.481 262 HE ARG 509 HE ARG 509 -9.199 -0.133 -4.136 263 HH11 ARG 509 HH11 ARG 509 -11.423 -0.339 -1.442 264 HH12 ARG 509 HH12 ARG 509 -12.537 0.827 -2.091 265 HH21 ARG 509 HH21 ARG 509 -10.685 1.379 -5.020 266 HH22 ARG 509 HH22 ARG 509 -12.132 1.779 -4.142 267 H LEU 510 HN LEU 510 -6.347 -3.962 -6.130 268 HA LEU 510 HA LEU 510 -7.886 -5.431 -7.864 269 HB2 LEU 510 HB2 LEU 510 -6.109 -5.415 -9.441 270 HB3 LEU 510 HB1 LEU 510 -6.004 -3.904 -8.565 271 HG LEU 510 HG LEU 510 -4.221 -5.147 -7.116 272 HD11 LEU 510 HD11 LEU 510 -4.595 -7.383 -8.019 273 HD12 LEU 510 HD12 LEU 510 -2.947 -6.834 -8.325 274 HD13 LEU 510 HD13 LEU 510 -4.138 -6.815 -9.626 275 HD21 LEU 510 HD21 LEU 510 -3.745 -3.264 -8.599 276 HD22 LEU 510 HD22 LEU 510 -3.616 -4.373 -9.965 277 HD23 LEU 510 HD23 LEU 510 -2.458 -4.467 -8.638 278 H LYS 511 HN LYS 511 -5.733 -6.218 -5.422 279 HA LYS 511 HA LYS 511 -4.756 -8.772 -6.070 280 HB2 LYS 511 HB2 LYS 511 -3.738 -7.283 -4.427 281 HB3 LYS 511 HB1 LYS 511 -5.158 -7.411 -3.406 282 HG2 LYS 511 HG2 LYS 511 -4.499 -9.997 -3.576 283 HG3 LYS 511 HG1 LYS 511 -2.903 -9.261 -3.762 284 HD2 LYS 511 HD2 LYS 511 -3.808 -7.782 -1.726 285 HD3 LYS 511 HD1 LYS 511 -4.753 -9.245 -1.448 286 HE2 LYS 511 HE2 LYS 511 -2.802 -10.616 -1.330 287 HE3 LYS 511 HE1 LYS 511 -1.766 -9.283 -1.835 288 HZ1 LYS 511 HZ1 LYS 511 -1.987 -8.232 0.211 289 HZ2 LYS 511 HZ2 LYS 511 -1.826 -9.865 0.623 290 HZ3 LYS 511 HZ3 LYS 511 -3.352 -9.137 0.653 291 H PHE 512 HN PHE 512 -7.897 -7.930 -5.407 292 HA PHE 512 HA PHE 512 -8.501 -9.564 -3.387 293 HB2 PHE 512 HB2 PHE 512 -10.157 -8.022 -5.171 294 HB3 PHE 512 HB1 PHE 512 -10.967 -9.201 -4.141 295 HD1 PHE 512 HD2 PHE 512 -8.076 -6.816 -3.570 296 HD2 PHE 512 HD1 PHE 512 -11.985 -8.165 -2.401 297 HE1 PHE 512 HE2 PHE 512 -8.072 -5.283 -1.682 298 HE2 PHE 512 HE1 PHE 512 -11.956 -6.598 -0.510 299 HZ PHE 512 HZ PHE 512 -10.000 -5.153 -0.146 300 HA PRO 513 HA PRO 513 -9.786 -13.277 -6.125 301 HB2 PRO 513 HB2 PRO 513 -7.099 -13.296 -7.365 302 HB3 PRO 513 HB1 PRO 513 -8.674 -13.620 -8.098 303 HG2 PRO 513 HG2 PRO 513 -7.310 -11.334 -8.575 304 HG3 PRO 513 HG1 PRO 513 -9.084 -11.390 -8.526 305 HD2 PRO 513 HD2 PRO 513 -7.180 -10.426 -6.395 306 HD3 PRO 513 HD1 PRO 513 -8.746 -9.775 -6.821 307 H VAL 514 HN VAL 514 -7.268 -12.012 -4.261 308 HA VAL 514 HA VAL 514 -5.767 -14.235 -3.586 309 HB VAL 514 HB VAL 514 -5.169 -11.839 -3.109 310 HG11 VAL 514 HG11 VAL 514 -7.253 -11.137 -2.077 311 HG12 VAL 514 HG12 VAL 514 -5.889 -10.847 -0.994 312 HG13 VAL 514 HG13 VAL 514 -6.962 -12.222 -0.717 313 HG21 VAL 514 HG21 VAL 514 -3.802 -13.625 -2.220 314 HG22 VAL 514 HG22 VAL 514 -4.881 -13.794 -0.835 315 HG23 VAL 514 HG23 VAL 514 -3.932 -12.321 -1.040 316 H HIS 515 HN HIS 515 -8.832 -13.790 -3.016 317 HA HIS 515 HA HIS 515 -8.983 -15.064 -0.396 318 HB2 HIS 515 HB2 HIS 515 -11.173 -13.983 -2.184 319 HB3 HIS 515 HB1 HIS 515 -11.443 -14.713 -0.604 320 HD1 HIS 515 HD1 HIS 515 -10.224 -11.618 -2.260 321 HD2 HIS 515 HD2 HIS 515 -10.697 -13.105 1.591 322 HE1 HIS 515 HE1 HIS 515 -9.804 -9.671 -0.730 323 HE2 HIS 515 HE2 HIS 515 -10.359 -10.535 1.576 324 H1 ALA 202 HT1 ALA 202 8.161 2.379 13.351 325 H2 ALA 202 HT2 ALA 202 7.732 3.161 11.909 326 H3 ALA 202 HT3 ALA 202 8.962 3.801 12.882 327 HA ALA 202 HA ALA 202 9.938 2.715 11.003 328 HB1 ALA 202 HB1 ALA 202 11.420 1.176 12.174 329 HB2 ALA 202 HB2 ALA 202 10.296 1.109 13.532 330 HB3 ALA 202 HB3 ALA 202 11.121 2.620 13.144 331 H GLY 203 HN GLY 203 7.084 1.399 11.855 332 HA2 GLY 203 HA2 GLY 203 7.618 -1.087 10.352 333 HA3 GLY 203 HA1 GLY 203 6.449 -0.986 11.659 334 H SEP 204 HN SEP 204 6.688 1.703 9.512 335 HA SEP 204 HA SEP 204 4.198 0.821 8.197 336 HB2 SEP 204 HB2 SEP 204 4.612 3.720 8.571 337 HB3 SEP 204 HB1 SEP 204 3.143 2.768 8.696 338 HA PRO 205 HA PRO 205 6.255 1.573 4.337 339 HB2 PRO 205 HB2 PRO 205 3.903 2.315 2.990 340 HB3 PRO 205 HB1 PRO 205 4.615 0.707 3.066 341 HG2 PRO 205 HG2 PRO 205 2.288 1.781 4.508 342 HG3 PRO 205 HG1 PRO 205 2.737 0.111 4.162 343 HD2 PRO 205 HD2 PRO 205 2.912 1.331 6.618 344 HD3 PRO 205 HD1 PRO 205 3.795 -0.121 6.131 345 H ASN 206 HN ASN 206 7.442 3.483 4.642 346 HA ASN 206 HA ASN 206 6.041 5.833 3.538 347 HB2 ASN 206 HB2 ASN 206 6.990 6.054 5.881 348 HB3 ASN 206 HB1 ASN 206 8.585 5.987 5.159 349 HD21 ASN 206 HD21 ASN 206 7.681 7.608 2.806 350 HD22 ASN 206 HD22 ASN 206 7.531 9.220 3.412 351 H LEU 207 HN LEU 207 8.399 3.449 3.060 352 HA LEU 207 HA LEU 207 10.177 4.820 1.379 353 HB2 LEU 207 HB2 LEU 207 10.814 2.621 0.474 354 HB3 LEU 207 HB1 LEU 207 10.815 2.667 2.223 355 HG LEU 207 HG LEU 207 8.467 1.540 0.719 356 HD11 LEU 207 HD11 LEU 207 10.447 0.380 -0.113 357 HD12 LEU 207 HD12 LEU 207 9.488 -0.674 0.928 358 HD13 LEU 207 HD13 LEU 207 10.967 0.064 1.543 359 HD21 LEU 207 HD21 LEU 207 9.616 1.044 3.464 360 HD22 LEU 207 HD22 LEU 207 8.202 0.238 2.787 361 HD23 LEU 207 HD23 LEU 207 8.165 1.975 3.096 362 H SEP 208 HN SEP 208 9.360 6.078 -0.146 363 HA SEP 208 HA SEP 208 7.135 5.435 -1.781 364 HB2 SEP 208 HB2 SEP 208 9.296 7.503 -2.275 365 HB3 SEP 208 HB1 SEP 208 7.678 7.492 -2.966 366 HA PRO 209 HA PRO 209 9.579 3.070 -4.770 367 HB2 PRO 209 HB2 PRO 209 7.421 2.218 -6.225 368 HB3 PRO 209 HB1 PRO 209 8.049 1.377 -4.809 369 HG2 PRO 209 HG2 PRO 209 5.649 3.071 -5.097 370 HG3 PRO 209 HG1 PRO 209 5.953 1.729 -3.985 371 HD2 PRO 209 HD2 PRO 209 6.022 4.426 -3.362 372 HD3 PRO 209 HD1 PRO 209 6.698 3.137 -2.360 373 H ASN 210 HN ASN 210 10.573 4.468 -6.074 374 HA ASN 210 HA ASN 210 9.131 6.604 -7.383 375 HB2 ASN 210 HB2 ASN 210 11.340 7.011 -6.349 376 HB3 ASN 210 HB1 ASN 210 12.072 5.886 -7.486 377 HD21 ASN 210 HD21 ASN 210 13.431 7.428 -8.355 378 HD22 ASN 210 HD22 ASN 210 12.849 8.706 -9.376 379 HA PRO 211 HA PRO 211 8.784 4.195 -11.155 380 HB2 PRO 211 HB2 PRO 211 7.235 6.386 -12.221 381 HB3 PRO 211 HB1 PRO 211 6.673 4.794 -11.715 382 HG2 PRO 211 HG2 PRO 211 6.044 7.123 -10.416 383 HG3 PRO 211 HG1 PRO 211 6.071 5.529 -9.640 384 HD2 PRO 211 HD2 PRO 211 8.131 7.699 -9.586 385 HD3 PRO 211 HD1 PRO 211 7.584 6.628 -8.276 Start of MODEL 11 1 H GLN 476 HT1 GLN 476 -10.880 -4.428 7.926 2 HA GLN 476 HA GLN 476 -8.672 -2.999 6.579 3 HB2 GLN 476 HB2 GLN 476 -9.699 -4.099 4.505 4 HB3 GLN 476 HB1 GLN 476 -8.686 -5.089 5.534 5 HG2 GLN 476 HG2 GLN 476 -11.612 -5.106 6.016 6 HG3 GLN 476 HG1 GLN 476 -10.997 -5.943 4.592 7 HE21 GLN 476 HE21 GLN 476 -11.576 -7.958 5.381 8 HE22 GLN 476 HE22 GLN 476 -10.725 -8.725 6.685 9 H SER 477 HN SER 477 -9.230 -1.167 5.640 10 HA SER 477 HA SER 477 -11.968 -0.249 6.098 11 HB2 SER 477 HB2 SER 477 -10.877 2.017 5.610 12 HB3 SER 477 HB1 SER 477 -10.347 1.181 7.072 13 HG SER 477 HG SER 477 -8.437 1.550 6.204 14 H PHE 478 HN PHE 478 -9.618 0.746 3.607 15 HA PHE 478 HA PHE 478 -11.759 0.910 1.558 16 HB2 PHE 478 HB2 PHE 478 -8.958 0.813 0.625 17 HB3 PHE 478 HB1 PHE 478 -10.171 2.033 0.269 18 HD1 PHE 478 HD1 PHE 478 -10.606 3.231 3.011 19 HD2 PHE 478 HD2 PHE 478 -7.127 1.808 0.993 20 HE1 PHE 478 HE1 PHE 478 -9.134 4.442 4.597 21 HE2 PHE 478 HE2 PHE 478 -5.728 3.011 2.515 22 HZ PHE 478 HZ PHE 478 -6.688 4.223 4.304 23 H LEU 479 HN LEU 479 -9.453 -1.226 2.950 24 HA LEU 479 HA LEU 479 -8.219 -1.775 0.376 25 HB2 LEU 479 HB2 LEU 479 -7.411 0.347 1.269 26 HB3 LEU 479 HB1 LEU 479 -6.919 -0.335 2.797 27 HG LEU 479 HG LEU 479 -5.407 -1.785 1.008 28 HD11 LEU 479 HD11 LEU 479 -4.694 -0.384 -0.764 29 HD12 LEU 479 HD12 LEU 479 -5.602 0.987 -0.124 30 HD13 LEU 479 HD13 LEU 479 -6.460 -0.395 -0.816 31 HD21 LEU 479 HD21 LEU 479 -4.676 0.976 1.980 32 HD22 LEU 479 HD22 LEU 479 -3.573 -0.343 1.548 33 HD23 LEU 479 HD23 LEU 479 -4.607 -0.481 2.977 34 HA PRO 480 HA PRO 480 -7.998 -5.877 1.609 35 HB2 PRO 480 HB2 PRO 480 -5.303 -6.226 0.640 36 HB3 PRO 480 HB1 PRO 480 -6.678 -6.821 -0.017 37 HG2 PRO 480 HG2 PRO 480 -5.238 -4.857 -1.146 38 HG3 PRO 480 HG1 PRO 480 -6.958 -5.118 -1.463 39 HD2 PRO 480 HD2 PRO 480 -5.632 -3.034 0.119 40 HD3 PRO 480 HD1 PRO 480 -7.220 -3.029 -0.665 41 HA PRO 481 HA PRO 481 -5.669 -6.750 5.334 42 HB2 PRO 481 HB2 PRO 481 -5.234 -9.539 4.657 43 HB3 PRO 481 HB1 PRO 481 -6.388 -8.840 5.795 44 HG2 PRO 481 HG2 PRO 481 -7.138 -10.043 3.483 45 HG3 PRO 481 HG1 PRO 481 -8.059 -8.722 4.228 46 HD2 PRO 481 HD2 PRO 481 -6.104 -8.620 1.955 47 HD3 PRO 481 HD1 PRO 481 -7.691 -7.833 2.108 48 H GLY 482 HN GLY 482 -3.940 -6.018 2.988 49 HA2 GLY 482 HA2 GLY 482 -1.417 -7.338 3.834 50 HA3 GLY 482 HA1 GLY 482 -1.710 -6.741 2.170 51 H TRP 483 HN TRP 483 -3.066 -4.655 4.542 52 HA TRP 483 HA TRP 483 -1.257 -2.954 3.015 53 HB2 TRP 483 HB2 TRP 483 -4.250 -2.946 2.987 54 HB3 TRP 483 HB1 TRP 483 -3.214 -1.792 2.133 55 HD1 TRP 483 HD1 TRP 483 -4.554 -5.271 1.853 56 HE1 TRP 483 HE1 TRP 483 -3.553 -6.430 -0.223 57 HE3 TRP 483 HE3 TRP 483 -1.112 -1.850 0.617 58 HZ2 TRP 483 HZ2 TRP 483 -1.782 -5.945 -2.059 59 HZ3 TRP 483 HZ3 TRP 483 0.232 -2.312 -1.314 60 HH2 TRP 483 HH2 TRP 483 -0.071 -4.264 -2.693 61 H GLU 484 HN GLU 484 -0.689 -1.195 3.616 62 HA GLU 484 HA GLU 484 -1.905 0.092 5.971 63 HB2 GLU 484 HB2 GLU 484 0.359 -0.929 6.406 64 HB3 GLU 484 HB1 GLU 484 1.025 0.145 5.202 65 HG2 GLU 484 HG2 GLU 484 1.319 0.789 7.591 66 HG3 GLU 484 HG1 GLU 484 0.666 2.029 6.513 67 H MET 485 HN MET 485 -2.858 1.924 5.334 68 HA MET 485 HA MET 485 -2.038 3.170 2.839 69 HB2 MET 485 HB2 MET 485 -4.454 2.846 3.435 70 HB3 MET 485 HB1 MET 485 -4.237 4.031 4.714 71 HG2 MET 485 HG2 MET 485 -3.667 4.638 1.825 72 HG3 MET 485 HG1 MET 485 -5.253 4.859 2.553 73 HE1 MET 485 HE1 MET 485 -4.076 8.538 2.177 74 HE2 MET 485 HE2 MET 485 -5.372 7.376 1.889 75 HE3 MET 485 HE3 MET 485 -3.828 7.200 1.054 76 H ARG 486 HN ARG 486 -0.325 4.434 3.012 77 HA ARG 486 HA ARG 486 -0.308 6.386 5.203 78 HB2 ARG 486 HB2 ARG 486 2.065 4.994 3.955 79 HB3 ARG 486 HB1 ARG 486 2.176 6.318 5.105 80 HG2 ARG 486 HG2 ARG 486 0.791 3.724 5.715 81 HG3 ARG 486 HG1 ARG 486 2.501 4.010 6.040 82 HD2 ARG 486 HD2 ARG 486 0.343 5.818 7.085 83 HD3 ARG 486 HD1 ARG 486 0.869 4.381 7.960 84 HE ARG 486 HE ARG 486 3.199 5.553 7.638 85 HH11 ARG 486 HH11 ARG 486 0.131 7.068 8.427 86 HH12 ARG 486 HH12 ARG 486 0.866 8.319 9.383 87 HH21 ARG 486 HH21 ARG 486 4.158 7.151 8.888 88 HH22 ARG 486 HH22 ARG 486 3.178 8.369 9.650 89 H ILE 487 HN ILE 487 -0.833 8.218 4.365 90 HA ILE 487 HA ILE 487 0.057 9.066 1.736 91 HB ILE 487 HB ILE 487 -2.137 9.601 2.076 92 HG12 ILE 487 HG12 ILE 487 -0.348 12.022 2.513 93 HG13 ILE 487 HG11 ILE 487 -1.010 11.398 1.010 94 HG21 ILE 487 HG21 ILE 487 -2.291 9.199 4.408 95 HG22 ILE 487 HG22 ILE 487 -2.976 10.791 4.056 96 HG23 ILE 487 HG23 ILE 487 -1.371 10.661 4.778 97 HD11 ILE 487 HD11 ILE 487 -2.152 13.421 1.708 98 HD12 ILE 487 HD12 ILE 487 -2.635 12.637 3.213 99 HD13 ILE 487 HD13 ILE 487 -3.247 12.038 1.669 100 H ALA 488 HN ALA 488 1.862 9.980 1.431 101 HA ALA 488 HA ALA 488 3.462 10.540 3.750 102 HB1 ALA 488 HB1 ALA 488 4.186 10.457 0.840 103 HB2 ALA 488 HB2 ALA 488 4.369 9.146 2.006 104 HB3 ALA 488 HB3 ALA 488 5.322 10.621 2.179 105 HA PRO 489 HA PRO 489 3.143 14.954 3.601 106 HB2 PRO 489 HB2 PRO 489 6.088 15.068 3.927 107 HB3 PRO 489 HB1 PRO 489 4.811 15.758 4.935 108 HG2 PRO 489 HG2 PRO 489 6.158 13.613 5.742 109 HG3 PRO 489 HG1 PRO 489 4.412 13.750 6.031 110 HD2 PRO 489 HD2 PRO 489 5.872 12.166 3.950 111 HD3 PRO 489 HD1 PRO 489 4.462 11.711 4.930 112 H ASN 490 HN ASN 490 4.664 13.289 1.111 113 HA ASN 490 HA ASN 490 5.338 15.798 -0.268 114 HB2 ASN 490 HB2 ASN 490 6.410 14.327 -1.979 115 HB3 ASN 490 HB1 ASN 490 7.136 14.184 -0.383 116 HD21 ASN 490 HD21 ASN 490 7.522 12.208 -2.288 117 HD22 ASN 490 HD22 ASN 490 6.704 10.794 -1.747 118 H GLY 491 HN GLY 491 2.916 13.491 0.125 119 HA2 GLY 491 HA2 GLY 491 0.764 13.892 -0.893 120 HA3 GLY 491 HA1 GLY 491 1.595 14.459 -2.340 121 H ARG 492 HN ARG 492 2.648 11.684 -0.582 122 HA ARG 492 HA ARG 492 1.839 9.986 -2.834 123 HB2 ARG 492 HB2 ARG 492 4.319 9.896 -1.121 124 HB3 ARG 492 HB1 ARG 492 3.893 8.658 -2.263 125 HG2 ARG 492 HG2 ARG 492 3.765 11.101 -3.627 126 HG3 ARG 492 HG1 ARG 492 5.250 11.087 -2.664 127 HD2 ARG 492 HD2 ARG 492 4.760 8.622 -4.141 128 HD3 ARG 492 HD1 ARG 492 4.974 10.041 -5.166 129 HE ARG 492 HE ARG 492 6.964 9.539 -3.062 130 HH11 ARG 492 HH11 ARG 492 6.127 9.400 -6.483 131 HH12 ARG 492 HH12 ARG 492 7.787 9.404 -7.000 132 HH21 ARG 492 HH21 ARG 492 9.115 9.557 -3.753 133 HH22 ARG 492 HH22 ARG 492 9.489 9.470 -5.455 134 HA PRO 493 HA PRO 493 0.094 7.596 0.574 135 HB2 PRO 493 HB2 PRO 493 -2.233 7.260 -1.078 136 HB3 PRO 493 HB1 PRO 493 -2.111 8.067 0.488 137 HG2 PRO 493 HG2 PRO 493 -2.605 9.440 -1.755 138 HG3 PRO 493 HG1 PRO 493 -1.625 10.118 -0.459 139 HD2 PRO 493 HD2 PRO 493 -0.677 8.712 -2.961 140 HD3 PRO 493 HD1 PRO 493 -0.197 10.316 -2.342 141 H PHE 494 HN PHE 494 1.318 5.943 0.492 142 HA PHE 494 HA PHE 494 1.522 4.369 -1.933 143 HB2 PHE 494 HB2 PHE 494 2.727 3.494 0.610 144 HB3 PHE 494 HB1 PHE 494 3.451 3.550 -0.959 145 HD1 PHE 494 HD1 PHE 494 2.853 5.328 2.154 146 HD2 PHE 494 HD2 PHE 494 4.721 5.574 -1.655 147 HE1 PHE 494 HE1 PHE 494 4.215 7.098 2.972 148 HE2 PHE 494 HE2 PHE 494 6.081 7.470 -0.829 149 HZ PHE 494 HZ PHE 494 5.862 8.195 1.525 150 H PHE 495 HN PHE 495 -0.032 2.672 -2.035 151 HA PHE 495 HA PHE 495 -1.157 1.793 0.509 152 HB2 PHE 495 HB2 PHE 495 -1.685 0.798 -2.320 153 HB3 PHE 495 HB1 PHE 495 -2.534 0.257 -0.880 154 HD1 PHE 495 HD1 PHE 495 -2.730 3.033 0.418 155 HD2 PHE 495 HD2 PHE 495 -3.575 1.599 -3.497 156 HE1 PHE 495 HE1 PHE 495 -4.368 4.842 0.115 157 HE2 PHE 495 HE2 PHE 495 -5.209 3.412 -3.811 158 HZ PHE 495 HZ PHE 495 -5.608 5.034 -2.003 159 H TYR 496 HN TYR 496 0.364 0.484 1.586 160 HA TYR 496 HA TYR 496 2.144 -1.111 -0.125 161 HB2 TYR 496 HB2 TYR 496 3.587 0.289 0.892 162 HB3 TYR 496 HB1 TYR 496 2.638 0.483 2.349 163 HD1 TYR 496 HD1 TYR 496 5.044 -1.777 0.577 164 HD2 TYR 496 HD2 TYR 496 3.131 -0.848 4.266 165 HE1 TYR 496 HE1 TYR 496 6.602 -3.253 1.758 166 HE2 TYR 496 HE2 TYR 496 4.683 -2.343 5.443 167 HH TYR 496 HH TYR 496 7.499 -3.574 4.000 168 H ASP 497 HN ASP 497 2.377 -3.174 0.039 169 HA ASP 497 HA ASP 497 0.392 -4.699 1.586 170 HB2 ASP 497 HB2 ASP 497 0.736 -5.147 -0.812 171 HB3 ASP 497 HB1 ASP 497 2.430 -5.533 -0.519 172 H HIS 498 HN HIS 498 1.087 -6.397 3.057 173 HA HIS 498 HA HIS 498 3.908 -6.200 3.901 174 HB2 HIS 498 HB2 HIS 498 1.474 -6.870 5.577 175 HB3 HIS 498 HB1 HIS 498 3.134 -6.869 6.163 176 HD1 HIS 498 HD1 HIS 498 1.111 -4.321 4.199 177 HD2 HIS 498 HD2 HIS 498 3.455 -4.564 7.612 178 HE1 HIS 498 HE1 HIS 498 1.211 -2.017 5.080 179 HE2 HIS 498 HE2 HIS 498 2.426 -2.213 7.297 180 H ASN 499 HN ASN 499 1.971 -8.131 2.179 181 HA ASN 499 HA ASN 499 2.808 -10.683 3.303 182 HB2 ASN 499 HB2 ASN 499 1.449 -10.195 0.640 183 HB3 ASN 499 HB1 ASN 499 1.563 -11.718 1.507 184 HD21 ASN 499 HD21 ASN 499 0.933 -10.447 4.098 185 HD22 ASN 499 HD22 ASN 499 -0.763 -10.121 4.039 186 H THR 500 HN THR 500 3.297 -8.743 0.403 187 HA THR 500 HA THR 500 5.785 -10.218 -0.164 188 HB THR 500 HB THR 500 4.414 -8.244 -1.998 189 HG1 THR 500 HG1 THR 500 4.023 -10.900 -2.582 190 HG21 THR 500 HG21 THR 500 6.721 -8.851 -2.567 191 HG22 THR 500 HG22 THR 500 5.586 -9.500 -3.751 192 HG23 THR 500 HG23 THR 500 6.285 -10.559 -2.526 193 H LYS 501 HN LYS 501 4.642 -7.527 1.343 194 HA LYS 501 HA LYS 501 5.489 -5.568 2.104 195 HB2 LYS 501 HB2 LYS 501 8.188 -6.758 1.470 196 HB3 LYS 501 HB1 LYS 501 7.848 -5.468 2.608 197 HG2 LYS 501 HG2 LYS 501 6.576 -7.015 4.007 198 HG3 LYS 501 HG1 LYS 501 6.910 -8.320 2.871 199 HD2 LYS 501 HD2 LYS 501 8.995 -6.769 4.402 200 HD3 LYS 501 HD1 LYS 501 8.398 -8.372 4.835 201 HE2 LYS 501 HE2 LYS 501 9.192 -9.211 2.649 202 HE3 LYS 501 HE1 LYS 501 9.868 -7.617 2.314 203 HZ1 LYS 501 HZ1 LYS 501 11.204 -7.896 4.384 204 HZ2 LYS 501 HZ2 LYS 501 11.608 -8.968 3.142 205 HZ3 LYS 501 HZ3 LYS 501 10.679 -9.507 4.457 206 H THR 502 HN THR 502 4.534 -5.256 -0.303 207 HA THR 502 HA THR 502 6.607 -3.889 -1.878 208 HB THR 502 HB THR 502 5.707 -5.769 -3.109 209 HG1 THR 502 HG1 THR 502 6.002 -4.343 -4.656 210 HG21 THR 502 HG21 THR 502 3.337 -5.898 -3.739 211 HG22 THR 502 HG22 THR 502 2.995 -4.504 -2.711 212 HG23 THR 502 HG23 THR 502 3.556 -6.014 -1.992 213 H THR 503 HN THR 503 6.411 -1.787 -2.223 214 HA THR 503 HA THR 503 4.066 -0.365 -1.258 215 HB THR 503 HB THR 503 5.582 1.623 -2.108 216 HG1 THR 503 HG1 THR 503 7.699 1.105 -2.365 217 HG21 THR 503 HG21 THR 503 6.957 1.431 0.033 218 HG22 THR 503 HG22 THR 503 6.073 -0.066 0.329 219 HG23 THR 503 HG23 THR 503 5.207 1.468 0.196 220 H THR 504 HN THR 504 2.538 0.538 -2.608 221 HA THR 504 HA THR 504 3.128 0.715 -5.457 222 HB THR 504 HB THR 504 2.137 -1.577 -4.923 223 HG1 THR 504 HG1 THR 504 1.270 -1.534 -6.905 224 HG21 THR 504 HG21 THR 504 -0.290 -1.698 -4.689 225 HG22 THR 504 HG22 THR 504 -0.369 0.060 -4.569 226 HG23 THR 504 HG23 THR 504 0.444 -0.874 -3.313 227 H TRP 505 HN TRP 505 1.817 2.180 -6.584 228 HA TRP 505 HA TRP 505 -0.009 3.768 -4.913 229 HB2 TRP 505 HB2 TRP 505 0.648 4.554 -7.719 230 HB3 TRP 505 HB1 TRP 505 0.305 5.571 -6.328 231 HD1 TRP 505 HD1 TRP 505 3.099 4.136 -8.332 232 HE1 TRP 505 HE1 TRP 505 5.360 4.900 -7.374 233 HE3 TRP 505 HE3 TRP 505 1.522 6.082 -3.815 234 HZ2 TRP 505 HZ2 TRP 505 6.333 6.162 -5.078 235 HZ3 TRP 505 HZ3 TRP 505 3.194 7.045 -2.354 236 HH2 TRP 505 HH2 TRP 505 5.544 7.093 -2.951 237 H GLU 506 HN GLU 506 -0.024 1.168 -6.827 238 HA GLU 506 HA GLU 506 -2.382 1.773 -8.415 239 HB2 GLU 506 HB2 GLU 506 -0.815 -0.806 -8.227 240 HB3 GLU 506 HB1 GLU 506 -2.028 -0.399 -9.436 241 HG2 GLU 506 HG2 GLU 506 -0.498 1.563 -10.030 242 HG3 GLU 506 HG1 GLU 506 0.735 0.704 -9.106 243 H ASP 507 HN ASP 507 -4.304 0.535 -8.280 244 HA ASP 507 HA ASP 507 -5.266 0.300 -5.667 245 HB2 ASP 507 HB2 ASP 507 -6.658 0.745 -7.682 246 HB3 ASP 507 HB1 ASP 507 -6.442 -0.933 -8.165 247 HA PRO 508 HA PRO 508 -3.557 -3.781 -4.790 248 HB2 PRO 508 HB2 PRO 508 -4.171 -3.325 -2.072 249 HB3 PRO 508 HB1 PRO 508 -2.605 -3.126 -2.858 250 HG2 PRO 508 HG2 PRO 508 -4.147 -1.085 -1.808 251 HG3 PRO 508 HG1 PRO 508 -2.833 -0.890 -2.972 252 HD2 PRO 508 HD2 PRO 508 -5.771 -0.904 -3.402 253 HD3 PRO 508 HD1 PRO 508 -4.510 0.048 -4.214 254 H ARG 509 HN ARG 509 -6.613 -2.753 -4.730 255 HA ARG 509 HA ARG 509 -7.629 -4.867 -3.076 256 HB2 ARG 509 HB2 ARG 509 -9.210 -2.793 -4.586 257 HB3 ARG 509 HB1 ARG 509 -9.683 -3.693 -3.145 258 HG2 ARG 509 HG2 ARG 509 -7.822 -2.553 -1.895 259 HG3 ARG 509 HG1 ARG 509 -7.565 -1.560 -3.338 260 HD2 ARG 509 HD2 ARG 509 -10.129 -1.660 -1.757 261 HD3 ARG 509 HD1 ARG 509 -8.912 -0.396 -1.663 262 HE ARG 509 HE ARG 509 -9.718 -0.659 -4.340 263 HH11 ARG 509 HH11 ARG 509 -11.011 0.357 -1.256 264 HH12 ARG 509 HH12 ARG 509 -12.055 1.570 -1.934 265 HH21 ARG 509 HH21 ARG 509 -11.128 0.908 -5.254 266 HH22 ARG 509 HH22 ARG 509 -12.119 1.882 -4.206 267 H LEU 510 HN LEU 510 -6.489 -4.070 -6.057 268 HA LEU 510 HA LEU 510 -7.965 -5.727 -7.645 269 HB2 LEU 510 HB2 LEU 510 -6.270 -5.634 -9.292 270 HB3 LEU 510 HB1 LEU 510 -6.200 -4.101 -8.455 271 HG LEU 510 HG LEU 510 -4.291 -5.213 -7.062 272 HD11 LEU 510 HD11 LEU 510 -4.236 -6.943 -9.532 273 HD12 LEU 510 HD12 LEU 510 -4.582 -7.491 -7.890 274 HD13 LEU 510 HD13 LEU 510 -2.983 -6.863 -8.291 275 HD21 LEU 510 HD21 LEU 510 -3.980 -3.351 -8.606 276 HD22 LEU 510 HD22 LEU 510 -3.862 -4.483 -9.954 277 HD23 LEU 510 HD23 LEU 510 -2.636 -4.489 -8.683 278 H LYS 511 HN LYS 511 -5.747 -6.258 -5.217 279 HA LYS 511 HA LYS 511 -4.520 -8.707 -5.859 280 HB2 LYS 511 HB2 LYS 511 -3.581 -7.080 -4.312 281 HB3 LYS 511 HB1 LYS 511 -4.928 -7.312 -3.216 282 HG2 LYS 511 HG2 LYS 511 -3.905 -9.844 -3.496 283 HG3 LYS 511 HG1 LYS 511 -2.470 -8.811 -3.494 284 HD2 LYS 511 HD2 LYS 511 -3.644 -7.651 -1.470 285 HD3 LYS 511 HD1 LYS 511 -4.574 -9.149 -1.399 286 HE2 LYS 511 HE2 LYS 511 -2.659 -9.301 0.080 287 HE3 LYS 511 HE1 LYS 511 -2.519 -10.457 -1.241 288 HZ1 LYS 511 HZ1 LYS 511 -1.157 -8.483 -2.302 289 HZ2 LYS 511 HZ2 LYS 511 -0.435 -9.589 -1.247 290 HZ3 LYS 511 HZ3 LYS 511 -0.916 -8.072 -0.669 291 H PHE 512 HN PHE 512 -7.717 -8.199 -5.117 292 HA PHE 512 HA PHE 512 -8.066 -9.831 -3.007 293 HB2 PHE 512 HB2 PHE 512 -9.937 -8.502 -4.770 294 HB3 PHE 512 HB1 PHE 512 -10.581 -9.698 -3.651 295 HD1 PHE 512 HD1 PHE 512 -7.926 -7.000 -3.330 296 HD2 PHE 512 HD2 PHE 512 -11.615 -8.698 -1.921 297 HE1 PHE 512 HE1 PHE 512 -8.030 -5.365 -1.531 298 HE2 PHE 512 HE2 PHE 512 -11.696 -7.025 -0.125 299 HZ PHE 512 HZ PHE 512 -9.905 -5.351 0.071 300 HA PRO 513 HA PRO 513 -9.193 -13.651 -5.672 301 HB2 PRO 513 HB2 PRO 513 -6.510 -13.585 -6.919 302 HB3 PRO 513 HB1 PRO 513 -8.073 -13.990 -7.638 303 HG2 PRO 513 HG2 PRO 513 -6.811 -11.657 -8.165 304 HG3 PRO 513 HG1 PRO 513 -8.581 -11.786 -8.104 305 HD2 PRO 513 HD2 PRO 513 -6.710 -10.701 -5.999 306 HD3 PRO 513 HD1 PRO 513 -8.305 -10.128 -6.433 307 H VAL 514 HN VAL 514 -6.671 -12.272 -3.851 308 HA VAL 514 HA VAL 514 -5.390 -14.655 -3.035 309 HB VAL 514 HB VAL 514 -4.285 -12.451 -2.948 310 HG11 VAL 514 HG11 VAL 514 -6.115 -11.120 -2.048 311 HG12 VAL 514 HG12 VAL 514 -4.698 -10.977 -1.006 312 HG13 VAL 514 HG13 VAL 514 -6.044 -12.016 -0.532 313 HG21 VAL 514 HG21 VAL 514 -3.081 -12.828 -0.848 314 HG22 VAL 514 HG22 VAL 514 -3.316 -14.318 -1.760 315 HG23 VAL 514 HG23 VAL 514 -4.325 -13.974 -0.354 316 H HIS 515 HN HIS 515 -8.229 -13.432 -2.436 317 HA HIS 515 HA HIS 515 -9.939 -13.740 -0.928 318 HB2 HIS 515 HB2 HIS 515 -10.242 -16.224 -0.370 319 HB3 HIS 515 HB1 HIS 515 -10.165 -15.793 -2.073 320 HD1 HIS 515 HD1 HIS 515 -7.808 -16.263 -3.262 321 HD2 HIS 515 HD2 HIS 515 -8.382 -18.099 0.424 322 HE1 HIS 515 HE1 HIS 515 -5.912 -17.874 -3.023 323 HE2 HIS 515 HE2 HIS 515 -6.278 -19.008 -0.791 324 H1 ALA 202 HT1 ALA 202 8.336 -3.835 13.330 325 H2 ALA 202 HT2 ALA 202 7.049 -4.870 13.728 326 H3 ALA 202 HT3 ALA 202 6.977 -3.227 14.140 327 HA ALA 202 HA ALA 202 7.050 -4.279 11.375 328 HB1 ALA 202 HB1 ALA 202 4.704 -3.625 11.245 329 HB2 ALA 202 HB2 ALA 202 4.736 -3.133 12.938 330 HB3 ALA 202 HB3 ALA 202 4.947 -4.830 12.508 331 H GLY 203 HN GLY 203 6.979 -2.711 9.769 332 HA2 GLY 203 HA2 GLY 203 7.496 0.044 10.728 333 HA3 GLY 203 HA1 GLY 203 8.251 -0.651 9.298 334 H SEP 204 HN SEP 204 6.644 1.777 9.497 335 HA SEP 204 HA SEP 204 4.253 1.020 7.988 336 HB2 SEP 204 HB2 SEP 204 3.976 3.667 8.234 337 HB3 SEP 204 HB1 SEP 204 3.496 2.542 9.504 338 HA PRO 205 HA PRO 205 5.898 1.962 4.039 339 HB2 PRO 205 HB2 PRO 205 3.440 3.166 3.184 340 HB3 PRO 205 HB1 PRO 205 4.047 1.564 2.820 341 HG2 PRO 205 HG2 PRO 205 1.943 2.299 4.629 342 HG3 PRO 205 HG1 PRO 205 2.472 0.694 4.124 343 HD2 PRO 205 HD2 PRO 205 2.817 1.869 6.640 344 HD3 PRO 205 HD1 PRO 205 3.566 0.376 6.044 345 H ASN 206 HN ASN 206 7.354 3.688 4.509 346 HA ASN 206 HA ASN 206 6.223 6.275 3.715 347 HB2 ASN 206 HB2 ASN 206 6.976 6.901 5.716 348 HB3 ASN 206 HB1 ASN 206 8.180 5.619 5.820 349 HD21 ASN 206 HD21 ASN 206 10.252 6.033 5.080 350 HD22 ASN 206 HD22 ASN 206 10.800 7.623 4.669 351 H LEU 207 HN LEU 207 8.283 3.777 2.806 352 HA LEU 207 HA LEU 207 10.037 5.372 1.176 353 HB2 LEU 207 HB2 LEU 207 10.972 3.276 0.389 354 HB3 LEU 207 HB1 LEU 207 10.867 3.293 2.135 355 HG LEU 207 HG LEU 207 8.790 1.907 0.446 356 HD11 LEU 207 HD11 LEU 207 10.960 0.985 -0.162 357 HD12 LEU 207 HD12 LEU 207 10.037 -0.168 0.803 358 HD13 LEU 207 HD13 LEU 207 11.349 0.750 1.543 359 HD21 LEU 207 HD21 LEU 207 9.699 1.545 3.303 360 HD22 LEU 207 HD22 LEU 207 8.452 0.599 2.493 361 HD23 LEU 207 HD23 LEU 207 8.205 2.323 2.782 362 H SEP 208 HN SEP 208 9.299 6.345 -0.566 363 HA SEP 208 HA SEP 208 7.072 5.402 -2.095 364 HB2 SEP 208 HB2 SEP 208 9.114 7.493 -2.902 365 HB3 SEP 208 HB1 SEP 208 7.461 7.338 -3.485 366 HA PRO 209 HA PRO 209 9.625 2.938 -4.917 367 HB2 PRO 209 HB2 PRO 209 7.357 2.283 -6.471 368 HB3 PRO 209 HB1 PRO 209 8.173 1.255 -5.295 369 HG2 PRO 209 HG2 PRO 209 5.603 2.444 -5.099 370 HG3 PRO 209 HG1 PRO 209 6.442 1.462 -3.898 371 HD2 PRO 209 HD2 PRO 209 6.005 4.325 -3.964 372 HD3 PRO 209 HD1 PRO 209 6.574 3.328 -2.614 373 H ASN 210 HN ASN 210 10.714 4.260 -6.238 374 HA ASN 210 HA ASN 210 9.249 6.198 -7.851 375 HB2 ASN 210 HB2 ASN 210 12.190 5.877 -7.243 376 HB3 ASN 210 HB1 ASN 210 11.582 7.029 -8.429 377 HD21 ASN 210 HD21 ASN 210 11.861 6.258 -5.063 378 HD22 ASN 210 HD22 ASN 210 11.292 7.777 -4.455 379 HA PRO 211 HA PRO 211 9.683 3.293 -11.190 380 HB2 PRO 211 HB2 PRO 211 7.737 4.688 -12.685 381 HB3 PRO 211 HB1 PRO 211 7.465 3.292 -11.645 382 HG2 PRO 211 HG2 PRO 211 6.516 5.900 -11.213 383 HG3 PRO 211 HG1 PRO 211 6.519 4.577 -10.037 384 HD2 PRO 211 HD2 PRO 211 8.400 6.865 -10.321 385 HD3 PRO 211 HD1 PRO 211 7.883 5.997 -8.859 Start of MODEL 12 1 H GLN 476 HT1 GLN 476 -8.542 -3.068 6.865 2 HA GLN 476 HA GLN 476 -9.062 -0.175 7.093 3 HB2 GLN 476 HB2 GLN 476 -7.750 -0.007 4.951 4 HB3 GLN 476 HB1 GLN 476 -6.812 -0.333 6.390 5 HG2 GLN 476 HG2 GLN 476 -7.653 -2.448 4.424 6 HG3 GLN 476 HG1 GLN 476 -6.114 -1.594 4.356 7 HE21 GLN 476 HE21 GLN 476 -6.679 -4.434 4.724 8 HE22 GLN 476 HE22 GLN 476 -5.936 -4.881 6.224 9 H SER 477 HN SER 477 -10.648 0.561 5.931 10 HA SER 477 HA SER 477 -12.524 -1.425 5.035 11 HB2 SER 477 HB2 SER 477 -12.872 1.570 5.011 12 HB3 SER 477 HB1 SER 477 -14.130 0.335 5.073 13 HG SER 477 HG SER 477 -13.824 1.120 7.137 14 H PHE 478 HN PHE 478 -10.186 0.467 3.430 15 HA PHE 478 HA PHE 478 -11.733 1.002 0.979 16 HB2 PHE 478 HB2 PHE 478 -8.844 0.608 0.596 17 HB3 PHE 478 HB1 PHE 478 -9.811 1.990 0.129 18 HD1 PHE 478 HD1 PHE 478 -10.516 2.651 3.200 19 HD2 PHE 478 HD2 PHE 478 -6.991 1.815 0.952 20 HE1 PHE 478 HE1 PHE 478 -9.088 3.581 4.992 21 HE2 PHE 478 HE2 PHE 478 -5.640 2.748 2.675 22 HZ PHE 478 HZ PHE 478 -6.640 3.531 4.669 23 H LEU 479 HN LEU 479 -9.683 -1.367 2.545 24 HA LEU 479 HA LEU 479 -8.319 -1.879 0.013 25 HB2 LEU 479 HB2 LEU 479 -7.531 0.160 1.224 26 HB3 LEU 479 HB1 LEU 479 -7.009 -0.783 2.596 27 HG LEU 479 HG LEU 479 -5.579 -1.966 0.589 28 HD11 LEU 479 HD11 LEU 479 -5.556 0.901 -0.213 29 HD12 LEU 479 HD12 LEU 479 -6.765 -0.186 -0.906 30 HD13 LEU 479 HD13 LEU 479 -5.046 -0.520 -1.128 31 HD21 LEU 479 HD21 LEU 479 -3.711 -0.622 1.233 32 HD22 LEU 479 HD22 LEU 479 -4.707 -0.895 2.670 33 HD23 LEU 479 HD23 LEU 479 -4.775 0.660 1.835 34 HA PRO 480 HA PRO 480 -8.279 -6.064 1.102 35 HB2 PRO 480 HB2 PRO 480 -5.556 -6.431 0.250 36 HB3 PRO 480 HB1 PRO 480 -6.913 -6.963 -0.499 37 HG2 PRO 480 HG2 PRO 480 -5.374 -4.983 -1.477 38 HG3 PRO 480 HG1 PRO 480 -7.068 -5.230 -1.922 39 HD2 PRO 480 HD2 PRO 480 -5.852 -3.177 -0.219 40 HD3 PRO 480 HD1 PRO 480 -7.407 -3.171 -1.067 41 HA PRO 481 HA PRO 481 -6.041 -6.971 4.871 42 HB2 PRO 481 HB2 PRO 481 -5.800 -9.640 4.814 43 HB3 PRO 481 HB1 PRO 481 -7.377 -8.854 4.937 44 HG2 PRO 481 HG2 PRO 481 -6.022 -10.001 2.525 45 HG3 PRO 481 HG1 PRO 481 -7.703 -10.195 3.057 46 HD2 PRO 481 HD2 PRO 481 -6.941 -8.422 1.139 47 HD3 PRO 481 HD1 PRO 481 -8.337 -8.163 2.204 48 H GLY 482 HN GLY 482 -4.274 -6.243 2.607 49 HA2 GLY 482 HA2 GLY 482 -1.841 -7.777 3.348 50 HA3 GLY 482 HA1 GLY 482 -2.102 -7.076 1.717 51 H TRP 483 HN TRP 483 -3.309 -5.007 4.178 52 HA TRP 483 HA TRP 483 -1.367 -3.390 2.722 53 HB2 TRP 483 HB2 TRP 483 -4.354 -3.158 2.685 54 HB3 TRP 483 HB1 TRP 483 -3.236 -2.032 1.900 55 HD1 TRP 483 HD1 TRP 483 -4.818 -5.391 1.401 56 HE1 TRP 483 HE1 TRP 483 -3.837 -6.510 -0.696 57 HE3 TRP 483 HE3 TRP 483 -1.108 -2.157 0.389 58 HZ2 TRP 483 HZ2 TRP 483 -1.969 -6.110 -2.427 59 HZ3 TRP 483 HZ3 TRP 483 0.261 -2.658 -1.510 60 HH2 TRP 483 HH2 TRP 483 -0.135 -4.532 -2.964 61 H GLU 484 HN GLU 484 -0.526 -1.845 3.504 62 HA GLU 484 HA GLU 484 -1.598 -0.517 5.925 63 HB2 GLU 484 HB2 GLU 484 0.727 -1.663 6.024 64 HB3 GLU 484 HB1 GLU 484 1.257 -0.423 4.934 65 HG2 GLU 484 HG2 GLU 484 1.768 -0.155 7.367 66 HG3 GLU 484 HG1 GLU 484 1.067 1.225 6.536 67 H MET 485 HN MET 485 -2.695 1.231 5.175 68 HA MET 485 HA MET 485 -1.775 2.584 2.775 69 HB2 MET 485 HB2 MET 485 -4.181 2.180 3.094 70 HB3 MET 485 HB1 MET 485 -4.152 3.187 4.534 71 HG2 MET 485 HG2 MET 485 -3.249 4.298 1.906 72 HG3 MET 485 HG1 MET 485 -4.965 4.178 2.279 73 HE1 MET 485 HE1 MET 485 -5.441 6.755 2.088 74 HE2 MET 485 HE2 MET 485 -3.784 6.909 1.509 75 HE3 MET 485 HE3 MET 485 -4.378 7.986 2.774 76 H ARG 486 HN ARG 486 -0.023 3.826 3.189 77 HA ARG 486 HA ARG 486 -0.358 5.756 5.378 78 HB2 ARG 486 HB2 ARG 486 2.335 4.941 4.320 79 HB3 ARG 486 HB1 ARG 486 1.969 5.824 5.780 80 HG2 ARG 486 HG2 ARG 486 1.353 2.927 5.271 81 HG3 ARG 486 HG1 ARG 486 2.659 3.560 6.270 82 HD2 ARG 486 HD2 ARG 486 -0.274 4.053 6.757 83 HD3 ARG 486 HD1 ARG 486 0.680 2.810 7.564 84 HE ARG 486 HE ARG 486 1.630 5.555 7.795 85 HH11 ARG 486 HH11 ARG 486 -0.138 2.889 9.208 86 HH12 ARG 486 HH12 ARG 486 0.025 3.484 10.837 87 HH21 ARG 486 HH21 ARG 486 1.836 6.356 9.917 88 HH22 ARG 486 HH22 ARG 486 1.184 5.448 11.248 89 H ILE 487 HN ILE 487 -0.773 7.620 4.657 90 HA ILE 487 HA ILE 487 0.077 8.603 2.063 91 HB ILE 487 HB ILE 487 -2.119 9.076 2.420 92 HG12 ILE 487 HG12 ILE 487 -0.500 11.542 3.165 93 HG13 ILE 487 HG11 ILE 487 -0.945 11.002 1.551 94 HG21 ILE 487 HG21 ILE 487 -2.260 8.498 4.731 95 HG22 ILE 487 HG22 ILE 487 -3.027 10.068 4.469 96 HG23 ILE 487 HG23 ILE 487 -1.426 9.981 5.205 97 HD11 ILE 487 HD11 ILE 487 -2.321 12.866 2.253 98 HD12 ILE 487 HD12 ILE 487 -2.865 11.957 3.662 99 HD13 ILE 487 HD13 ILE 487 -3.295 11.411 2.039 100 H ALA 488 HN ALA 488 1.711 9.789 1.752 101 HA ALA 488 HA ALA 488 3.554 9.938 3.953 102 HB1 ALA 488 HB1 ALA 488 5.236 10.313 2.239 103 HB2 ALA 488 HB2 ALA 488 3.971 10.430 1.015 104 HB3 ALA 488 HB3 ALA 488 4.240 8.908 1.862 105 HA PRO 489 HA PRO 489 3.360 14.363 4.513 106 HB2 PRO 489 HB2 PRO 489 6.073 14.907 4.713 107 HB3 PRO 489 HB1 PRO 489 5.034 14.379 6.038 108 HG2 PRO 489 HG2 PRO 489 6.885 12.781 4.326 109 HG3 PRO 489 HG1 PRO 489 6.563 12.644 6.065 110 HD2 PRO 489 HD2 PRO 489 5.508 10.923 4.306 111 HD3 PRO 489 HD1 PRO 489 4.596 11.465 5.730 112 H ASN 490 HN ASN 490 4.552 12.957 1.664 113 HA ASN 490 HA ASN 490 5.073 15.629 0.517 114 HB2 ASN 490 HB2 ASN 490 5.905 14.300 -1.494 115 HB3 ASN 490 HB1 ASN 490 6.888 14.176 -0.034 116 HD21 ASN 490 HD21 ASN 490 7.665 12.118 -1.149 117 HD22 ASN 490 HD22 ASN 490 6.706 10.715 -0.872 118 H GLY 491 HN GLY 491 2.712 13.263 0.902 119 HA2 GLY 491 HA2 GLY 491 0.482 13.657 0.068 120 HA3 GLY 491 HA1 GLY 491 1.193 14.276 -1.418 121 H ARG 492 HN ARG 492 2.452 11.412 0.108 122 HA ARG 492 HA ARG 492 1.476 9.873 -2.203 123 HB2 ARG 492 HB2 ARG 492 4.030 9.585 -0.639 124 HB3 ARG 492 HB1 ARG 492 3.522 8.495 -1.883 125 HG2 ARG 492 HG2 ARG 492 3.374 10.926 -3.130 126 HG3 ARG 492 HG1 ARG 492 4.765 11.067 -2.044 127 HD2 ARG 492 HD2 ARG 492 4.599 8.623 -3.689 128 HD3 ARG 492 HD1 ARG 492 4.979 10.130 -4.525 129 HE ARG 492 HE ARG 492 6.518 9.381 -2.135 130 HH11 ARG 492 HH11 ARG 492 6.383 9.800 -5.626 131 HH12 ARG 492 HH12 ARG 492 8.108 9.919 -5.796 132 HH21 ARG 492 HH21 ARG 492 8.786 9.585 -2.365 133 HH22 ARG 492 HH22 ARG 492 9.475 9.797 -3.960 134 HA PRO 493 HA PRO 493 -0.104 7.063 0.989 135 HB2 PRO 493 HB2 PRO 493 -2.349 6.720 -0.796 136 HB3 PRO 493 HB1 PRO 493 -2.339 7.353 0.856 137 HG2 PRO 493 HG2 PRO 493 -2.873 8.950 -1.199 138 HG3 PRO 493 HG1 PRO 493 -1.918 9.529 0.159 139 HD2 PRO 493 HD2 PRO 493 -0.912 8.419 -2.468 140 HD3 PRO 493 HD1 PRO 493 -0.533 9.995 -1.717 141 H PHE 494 HN PHE 494 1.243 5.504 0.794 142 HA PHE 494 HA PHE 494 1.648 4.200 -1.780 143 HB2 PHE 494 HB2 PHE 494 2.841 3.103 0.686 144 HB3 PHE 494 HB1 PHE 494 3.612 3.439 -0.825 145 HD1 PHE 494 HD1 PHE 494 4.621 5.791 -1.192 146 HD2 PHE 494 HD2 PHE 494 2.845 4.559 2.452 147 HE1 PHE 494 HE1 PHE 494 5.755 7.620 0.014 148 HE2 PHE 494 HE2 PHE 494 4.011 6.253 3.651 149 HZ PHE 494 HZ PHE 494 5.498 7.806 2.473 150 H PHE 495 HN PHE 495 0.218 2.375 -2.073 151 HA PHE 495 HA PHE 495 -1.045 1.382 0.376 152 HB2 PHE 495 HB2 PHE 495 -1.433 0.570 -2.539 153 HB3 PHE 495 HB1 PHE 495 -2.313 -0.127 -1.186 154 HD1 PHE 495 HD2 PHE 495 -2.782 2.395 0.390 155 HD2 PHE 495 HD1 PHE 495 -3.168 1.537 -3.757 156 HE1 PHE 495 HE2 PHE 495 -4.465 4.179 0.179 157 HE2 PHE 495 HE1 PHE 495 -4.846 3.320 -3.976 158 HZ PHE 495 HZ PHE 495 -5.499 4.643 -2.006 159 H TYR 496 HN TYR 496 0.291 -0.094 1.480 160 HA TYR 496 HA TYR 496 2.182 -1.657 -0.145 161 HB2 TYR 496 HB2 TYR 496 3.604 -0.458 1.107 162 HB3 TYR 496 HB1 TYR 496 2.480 -0.204 2.432 163 HD1 TYR 496 HD2 TYR 496 5.113 -2.376 1.036 164 HD2 TYR 496 HD1 TYR 496 2.357 -1.873 4.246 165 HE1 TYR 496 HE2 TYR 496 6.327 -4.059 2.347 166 HE2 TYR 496 HE1 TYR 496 3.573 -3.557 5.557 167 HH TYR 496 HH TYR 496 6.641 -4.688 4.723 168 H ASP 497 HN ASP 497 2.155 -3.759 -0.192 169 HA ASP 497 HA ASP 497 0.176 -5.290 1.364 170 HB2 ASP 497 HB2 ASP 497 0.461 -5.682 -1.067 171 HB3 ASP 497 HB1 ASP 497 2.127 -6.186 -0.797 172 H HIS 498 HN HIS 498 0.928 -6.574 3.166 173 HA HIS 498 HA HIS 498 3.700 -6.197 3.946 174 HB2 HIS 498 HB2 HIS 498 1.615 -7.798 5.445 175 HB3 HIS 498 HB1 HIS 498 3.136 -7.191 6.075 176 HD1 HIS 498 HD1 HIS 498 1.264 -4.753 4.067 177 HD2 HIS 498 HD2 HIS 498 1.503 -5.862 8.049 178 HE1 HIS 498 HE1 HIS 498 -0.174 -3.147 5.272 179 HE2 HIS 498 HE2 HIS 498 0.337 -3.577 7.717 180 H ASN 499 HN ASN 499 1.914 -8.619 2.354 181 HA ASN 499 HA ASN 499 3.569 -10.812 3.283 182 HB2 ASN 499 HB2 ASN 499 1.392 -10.724 1.182 183 HB3 ASN 499 HB1 ASN 499 2.212 -12.185 1.722 184 HD21 ASN 499 HD21 ASN 499 -0.620 -11.263 1.847 185 HD22 ASN 499 HD22 ASN 499 -1.059 -11.444 3.511 186 H THR 500 HN THR 500 3.117 -8.864 0.415 187 HA THR 500 HA THR 500 5.334 -10.189 -0.944 188 HB THR 500 HB THR 500 3.841 -7.799 -2.003 189 HG1 THR 500 HG1 THR 500 2.208 -9.222 -1.358 190 HG21 THR 500 HG21 THR 500 4.257 -8.886 -4.157 191 HG22 THR 500 HG22 THR 500 5.013 -10.250 -3.331 192 HG23 THR 500 HG23 THR 500 5.764 -8.655 -3.272 193 H LYS 501 HN LYS 501 4.737 -7.626 1.140 194 HA LYS 501 HA LYS 501 5.983 -5.974 2.059 195 HB2 LYS 501 HB2 LYS 501 8.301 -7.334 0.695 196 HB3 LYS 501 HB1 LYS 501 8.409 -6.181 2.012 197 HG2 LYS 501 HG2 LYS 501 7.232 -7.747 3.478 198 HG3 LYS 501 HG1 LYS 501 7.154 -8.913 2.154 199 HD2 LYS 501 HD2 LYS 501 9.623 -8.906 2.051 200 HD3 LYS 501 HD1 LYS 501 9.653 -7.821 3.443 201 HE2 LYS 501 HE2 LYS 501 8.559 -9.499 4.806 202 HE3 LYS 501 HE1 LYS 501 8.430 -10.578 3.417 203 HZ1 LYS 501 HZ1 LYS 501 10.899 -10.532 3.307 204 HZ2 LYS 501 HZ2 LYS 501 10.281 -11.259 4.707 205 HZ3 LYS 501 HZ3 LYS 501 10.916 -9.692 4.777 206 H THR 502 HN THR 502 4.837 -5.605 -0.590 207 HA THR 502 HA THR 502 6.840 -3.885 -1.864 208 HB THR 502 HB THR 502 5.993 -5.592 -3.351 209 HG1 THR 502 HG1 THR 502 6.299 -3.306 -4.084 210 HG21 THR 502 HG21 THR 502 3.629 -5.683 -4.012 211 HG22 THR 502 HG22 THR 502 3.249 -4.446 -2.813 212 HG23 THR 502 HG23 THR 502 3.836 -6.025 -2.293 213 H THR 503 HN THR 503 6.638 -1.773 -1.820 214 HA THR 503 HA THR 503 4.132 -0.509 -1.053 215 HB THR 503 HB THR 503 5.643 1.597 -1.600 216 HG1 THR 503 HG1 THR 503 7.877 1.070 -1.240 217 HG21 THR 503 HG21 THR 503 4.936 1.195 0.632 218 HG22 THR 503 HG22 THR 503 6.682 1.417 0.686 219 HG23 THR 503 HG23 THR 503 5.996 -0.205 0.788 220 H THR 504 HN THR 504 2.674 0.110 -2.576 221 HA THR 504 HA THR 504 3.627 0.622 -5.294 222 HB THR 504 HB THR 504 2.749 -1.840 -4.788 223 HG1 THR 504 HG1 THR 504 2.092 -0.296 -7.107 224 HG21 THR 504 HG21 THR 504 0.388 -2.106 -5.380 225 HG22 THR 504 HG22 THR 504 0.197 -0.354 -5.420 226 HG23 THR 504 HG23 THR 504 0.573 -1.164 -3.899 227 H TRP 505 HN TRP 505 2.210 1.978 -6.524 228 HA TRP 505 HA TRP 505 0.328 3.460 -4.826 229 HB2 TRP 505 HB2 TRP 505 1.074 4.272 -7.616 230 HB3 TRP 505 HB1 TRP 505 0.579 5.282 -6.264 231 HD1 TRP 505 HD1 TRP 505 3.585 3.991 -8.043 232 HE1 TRP 505 HE1 TRP 505 5.729 4.842 -6.893 233 HE3 TRP 505 HE3 TRP 505 1.565 5.775 -3.652 234 HZ2 TRP 505 HZ2 TRP 505 6.455 6.100 -4.517 235 HZ3 TRP 505 HZ3 TRP 505 3.071 6.787 -2.032 236 HH2 TRP 505 HH2 TRP 505 5.465 6.948 -2.441 237 H GLU 506 HN GLU 506 0.428 1.046 -7.063 238 HA GLU 506 HA GLU 506 -1.916 1.589 -8.607 239 HB2 GLU 506 HB2 GLU 506 -0.164 -0.840 -8.226 240 HB3 GLU 506 HB1 GLU 506 -1.595 -0.870 -9.245 241 HG2 GLU 506 HG2 GLU 506 0.527 -0.528 -10.479 242 HG3 GLU 506 HG1 GLU 506 -0.662 0.747 -10.728 243 H ASP 507 HN ASP 507 -3.898 0.459 -8.511 244 HA ASP 507 HA ASP 507 -4.936 0.267 -5.918 245 HB2 ASP 507 HB2 ASP 507 -7.014 -0.383 -6.909 246 HB3 ASP 507 HB1 ASP 507 -6.267 0.823 -7.947 247 HA PRO 508 HA PRO 508 -3.555 -3.869 -4.941 248 HB2 PRO 508 HB2 PRO 508 -4.398 -3.372 -2.292 249 HB3 PRO 508 HB1 PRO 508 -2.752 -3.278 -2.923 250 HG2 PRO 508 HG2 PRO 508 -4.236 -1.137 -2.016 251 HG3 PRO 508 HG1 PRO 508 -2.833 -1.041 -3.083 252 HD2 PRO 508 HD2 PRO 508 -5.722 -0.879 -3.732 253 HD3 PRO 508 HD1 PRO 508 -4.348 0.005 -4.435 254 H ARG 509 HN ARG 509 -6.542 -2.668 -5.139 255 HA ARG 509 HA ARG 509 -7.779 -4.611 -3.435 256 HB2 ARG 509 HB2 ARG 509 -9.082 -2.445 -5.090 257 HB3 ARG 509 HB1 ARG 509 -9.772 -3.320 -3.720 258 HG2 ARG 509 HG2 ARG 509 -7.832 -2.372 -2.328 259 HG3 ARG 509 HG1 ARG 509 -7.562 -1.281 -3.702 260 HD2 ARG 509 HD2 ARG 509 -10.040 -1.480 -2.004 261 HD3 ARG 509 HD1 ARG 509 -8.900 -0.142 -2.080 262 HE ARG 509 HE ARG 509 -9.668 0.141 -4.451 263 HH11 ARG 509 HH11 ARG 509 -11.708 -1.300 -1.993 264 HH12 ARG 509 HH12 ARG 509 -13.191 -0.923 -2.813 265 HH21 ARG 509 HH21 ARG 509 -11.622 0.697 -5.511 266 HH22 ARG 509 HH22 ARG 509 -13.144 0.229 -4.803 267 H LEU 510 HN LEU 510 -6.440 -4.123 -6.350 268 HA LEU 510 HA LEU 510 -8.135 -5.603 -7.951 269 HB2 LEU 510 HB2 LEU 510 -6.456 -5.668 -9.620 270 HB3 LEU 510 HB1 LEU 510 -6.294 -4.128 -8.808 271 HG LEU 510 HG LEU 510 -4.428 -5.321 -7.424 272 HD11 LEU 510 HD11 LEU 510 -3.236 -7.059 -8.641 273 HD12 LEU 510 HD12 LEU 510 -4.504 -7.086 -9.869 274 HD13 LEU 510 HD13 LEU 510 -4.864 -7.589 -8.217 275 HD21 LEU 510 HD21 LEU 510 -2.765 -4.710 -9.082 276 HD22 LEU 510 HD22 LEU 510 -4.044 -3.499 -8.997 277 HD23 LEU 510 HD23 LEU 510 -4.010 -4.653 -10.332 278 H LYS 511 HN LYS 511 -5.770 -6.437 -5.624 279 HA LYS 511 HA LYS 511 -5.245 -9.081 -6.574 280 HB2 LYS 511 HB2 LYS 511 -3.750 -9.359 -4.674 281 HB3 LYS 511 HB1 LYS 511 -3.414 -7.900 -5.579 282 HG2 LYS 511 HG2 LYS 511 -3.150 -7.226 -3.405 283 HG3 LYS 511 HG1 LYS 511 -4.795 -6.719 -3.758 284 HD2 LYS 511 HD2 LYS 511 -4.902 -7.664 -1.632 285 HD3 LYS 511 HD1 LYS 511 -5.528 -8.917 -2.693 286 HE2 LYS 511 HE2 LYS 511 -2.826 -8.745 -1.363 287 HE3 LYS 511 HE1 LYS 511 -4.053 -9.987 -1.156 288 HZ1 LYS 511 HZ1 LYS 511 -2.342 -9.537 -3.547 289 HZ2 LYS 511 HZ2 LYS 511 -3.630 -10.640 -3.506 290 HZ3 LYS 511 HZ3 LYS 511 -2.294 -10.860 -2.489 291 H PHE 512 HN PHE 512 -7.801 -7.879 -4.978 292 HA PHE 512 HA PHE 512 -8.332 -9.250 -2.833 293 HB2 PHE 512 HB2 PHE 512 -10.031 -8.129 -4.830 294 HB3 PHE 512 HB1 PHE 512 -10.811 -9.255 -3.725 295 HD1 PHE 512 HD2 PHE 512 -8.261 -6.491 -3.376 296 HD2 PHE 512 HD1 PHE 512 -11.956 -8.236 -2.079 297 HE1 PHE 512 HE2 PHE 512 -8.526 -4.756 -1.691 298 HE2 PHE 512 HE1 PHE 512 -12.203 -6.471 -0.387 299 HZ PHE 512 HZ PHE 512 -10.486 -4.718 -0.193 300 HA PRO 513 HA PRO 513 -10.157 -13.094 -5.354 301 HB2 PRO 513 HB2 PRO 513 -7.732 -12.890 -7.094 302 HB3 PRO 513 HB1 PRO 513 -9.363 -13.445 -7.495 303 HG2 PRO 513 HG2 PRO 513 -8.534 -10.988 -8.186 304 HG3 PRO 513 HG1 PRO 513 -10.204 -11.283 -7.663 305 HD2 PRO 513 HD2 PRO 513 -7.961 -10.001 -6.128 306 HD3 PRO 513 HD1 PRO 513 -9.674 -9.688 -5.995 307 H VAL 514 HN VAL 514 -7.177 -12.156 -3.970 308 HA VAL 514 HA VAL 514 -5.960 -14.629 -3.610 309 HB VAL 514 HB VAL 514 -4.763 -12.550 -3.268 310 HG11 VAL 514 HG11 VAL 514 -6.521 -11.259 -2.176 311 HG12 VAL 514 HG12 VAL 514 -5.052 -11.246 -1.200 312 HG13 VAL 514 HG13 VAL 514 -6.404 -12.285 -0.746 313 HG21 VAL 514 HG21 VAL 514 -4.771 -14.319 -0.836 314 HG22 VAL 514 HG22 VAL 514 -3.513 -13.152 -1.240 315 HG23 VAL 514 HG23 VAL 514 -3.804 -14.534 -2.295 316 H HIS 515 HN HIS 515 -8.710 -13.573 -2.480 317 HA HIS 515 HA HIS 515 -10.280 -14.234 -0.943 318 HB2 HIS 515 HB2 HIS 515 -10.521 -16.767 -0.826 319 HB3 HIS 515 HB1 HIS 515 -10.547 -16.051 -2.431 320 HD1 HIS 515 HD1 HIS 515 -8.302 -16.315 -3.848 321 HD2 HIS 515 HD2 HIS 515 -8.572 -18.692 -0.446 322 HE1 HIS 515 HE1 HIS 515 -6.388 -17.920 -4.003 323 HE2 HIS 515 HE2 HIS 515 -6.701 -19.497 -2.051 324 H1 ALA 202 HT1 ALA 202 8.329 5.721 9.032 325 H2 ALA 202 HT2 ALA 202 7.371 4.653 9.937 326 H3 ALA 202 HT3 ALA 202 7.721 4.310 8.319 327 HA ALA 202 HA ALA 202 10.071 4.106 8.851 328 HB1 ALA 202 HB1 ALA 202 9.126 4.418 11.697 329 HB2 ALA 202 HB2 ALA 202 10.077 5.595 10.789 330 HB3 ALA 202 HB3 ALA 202 10.766 4.019 11.185 331 H GLY 203 HN GLY 203 8.054 2.795 11.496 332 HA2 GLY 203 HA2 GLY 203 8.647 0.084 10.752 333 HA3 GLY 203 HA1 GLY 203 7.461 0.597 11.952 334 H SEP 204 HN SEP 204 5.853 2.200 10.532 335 HA SEP 204 HA SEP 204 4.372 0.559 8.719 336 HB2 SEP 204 HB2 SEP 204 3.650 3.280 8.439 337 HB3 SEP 204 HB1 SEP 204 2.847 2.050 9.418 338 HA PRO 205 HA PRO 205 6.607 1.210 4.975 339 HB2 PRO 205 HB2 PRO 205 4.504 1.486 3.211 340 HB3 PRO 205 HB1 PRO 205 5.101 -0.051 3.826 341 HG2 PRO 205 HG2 PRO 205 2.772 1.552 4.772 342 HG3 PRO 205 HG1 PRO 205 2.912 -0.192 4.513 343 HD2 PRO 205 HD2 PRO 205 3.068 0.836 6.957 344 HD3 PRO 205 HD1 PRO 205 4.104 -0.525 6.459 345 H ASN 206 HN ASN 206 7.644 3.161 4.979 346 HA ASN 206 HA ASN 206 6.147 5.402 3.780 347 HB2 ASN 206 HB2 ASN 206 7.068 5.685 6.151 348 HB3 ASN 206 HB1 ASN 206 8.656 5.757 5.409 349 HD21 ASN 206 HD21 ASN 206 7.522 7.232 3.051 350 HD22 ASN 206 HD22 ASN 206 7.241 8.837 3.632 351 H LEU 207 HN LEU 207 8.656 3.144 3.395 352 HA LEU 207 HA LEU 207 10.440 4.501 1.733 353 HB2 LEU 207 HB2 LEU 207 11.068 2.312 0.819 354 HB3 LEU 207 HB1 LEU 207 10.978 2.298 2.566 355 HG LEU 207 HG LEU 207 8.665 1.298 0.926 356 HD11 LEU 207 HD11 LEU 207 10.632 0.119 0.103 357 HD12 LEU 207 HD12 LEU 207 9.623 -0.951 1.075 358 HD13 LEU 207 HD13 LEU 207 11.102 -0.274 1.757 359 HD21 LEU 207 HD21 LEU 207 9.715 0.621 3.672 360 HD22 LEU 207 HD22 LEU 207 8.286 -0.076 2.913 361 HD23 LEU 207 HD23 LEU 207 8.318 1.639 3.322 362 H SEP 208 HN SEP 208 9.986 5.603 -0.029 363 HA SEP 208 HA SEP 208 7.550 5.012 -1.482 364 HB2 SEP 208 HB2 SEP 208 9.347 7.417 -1.932 365 HB3 SEP 208 HB1 SEP 208 7.634 7.240 -2.267 366 HA PRO 209 HA PRO 209 9.950 3.040 -4.685 367 HB2 PRO 209 HB2 PRO 209 7.523 2.512 -6.094 368 HB3 PRO 209 HB1 PRO 209 8.488 1.387 -5.140 369 HG2 PRO 209 HG2 PRO 209 5.947 2.318 -4.498 370 HG3 PRO 209 HG1 PRO 209 7.066 1.509 -3.400 371 HD2 PRO 209 HD2 PRO 209 6.385 4.365 -3.644 372 HD3 PRO 209 HD1 PRO 209 6.930 3.457 -2.215 373 H ASN 210 HN ASN 210 10.673 3.689 -6.667 374 HA ASN 210 HA ASN 210 9.733 6.238 -7.649 375 HB2 ASN 210 HB2 ASN 210 11.588 6.114 -9.244 376 HB3 ASN 210 HB1 ASN 210 12.154 5.772 -7.615 377 HD21 ASN 210 HD21 ASN 210 12.892 3.710 -7.111 378 HD22 ASN 210 HD22 ASN 210 13.220 2.524 -8.324 379 HA PRO 211 HA PRO 211 6.992 4.229 -10.542 380 HB2 PRO 211 HB2 PRO 211 6.036 6.827 -11.297 381 HB3 PRO 211 HB1 PRO 211 5.244 5.639 -10.265 382 HG2 PRO 211 HG2 PRO 211 6.209 8.070 -9.398 383 HG3 PRO 211 HG1 PRO 211 5.946 6.663 -8.354 384 HD2 PRO 211 HD2 PRO 211 8.484 7.677 -9.572 385 HD3 PRO 211 HD1 PRO 211 8.207 6.986 -7.959 Start of MODEL 13 1 H GLN 476 HT1 GLN 476 -7.960 -3.679 4.591 2 HA GLN 476 HA GLN 476 -8.247 -1.628 6.704 3 HB2 GLN 476 HB2 GLN 476 -6.274 -1.334 5.163 4 HB3 GLN 476 HB1 GLN 476 -7.406 -1.242 3.826 5 HG2 GLN 476 HG2 GLN 476 -6.664 0.963 4.527 6 HG3 GLN 476 HG1 GLN 476 -8.393 0.759 4.785 7 HE21 GLN 476 HE21 GLN 476 -9.209 0.782 6.883 8 HE22 GLN 476 HE22 GLN 476 -8.244 1.216 8.249 9 H SER 477 HN SER 477 -9.595 0.202 5.490 10 HA SER 477 HA SER 477 -12.178 -1.007 5.291 11 HB2 SER 477 HB2 SER 477 -11.647 1.908 4.808 12 HB3 SER 477 HB1 SER 477 -13.012 1.145 5.628 13 HG SER 477 HG SER 477 -11.944 1.185 7.439 14 H PHE 478 HN PHE 478 -9.933 0.533 3.073 15 HA PHE 478 HA PHE 478 -11.865 0.718 0.841 16 HB2 PHE 478 HB2 PHE 478 -8.997 0.529 0.166 17 HB3 PHE 478 HB1 PHE 478 -10.133 1.780 -0.310 18 HD1 PHE 478 HD2 PHE 478 -10.779 2.921 2.436 19 HD2 PHE 478 HD1 PHE 478 -7.152 1.610 0.610 20 HE1 PHE 478 HE2 PHE 478 -9.432 4.180 4.088 21 HE2 PHE 478 HE1 PHE 478 -5.874 2.805 2.232 22 HZ PHE 478 HZ PHE 478 -6.970 3.993 3.959 23 H LEU 479 HN LEU 479 -9.682 -1.442 2.441 24 HA LEU 479 HA LEU 479 -8.297 -2.037 -0.049 25 HB2 LEU 479 HB2 LEU 479 -7.535 0.088 0.850 26 HB3 LEU 479 HB1 LEU 479 -7.135 -0.560 2.420 27 HG LEU 479 HG LEU 479 -5.536 -2.051 0.708 28 HD11 LEU 479 HD11 LEU 479 -5.559 0.743 -0.369 29 HD12 LEU 479 HD12 LEU 479 -6.461 -0.573 -1.133 30 HD13 LEU 479 HD13 LEU 479 -4.702 -0.666 -0.999 31 HD21 LEU 479 HD21 LEU 479 -4.829 -0.806 2.744 32 HD22 LEU 479 HD22 LEU 479 -4.816 0.674 1.782 33 HD23 LEU 479 HD23 LEU 479 -3.714 -0.656 1.379 34 HA PRO 480 HA PRO 480 -8.212 -6.120 1.258 35 HB2 PRO 480 HB2 PRO 480 -5.494 -6.550 0.388 36 HB3 PRO 480 HB1 PRO 480 -6.864 -7.114 -0.310 37 HG2 PRO 480 HG2 PRO 480 -5.349 -5.221 -1.435 38 HG3 PRO 480 HG1 PRO 480 -7.074 -5.416 -1.775 39 HD2 PRO 480 HD2 PRO 480 -5.683 -3.384 -0.156 40 HD3 PRO 480 HD1 PRO 480 -7.231 -3.293 -1.015 41 HA PRO 481 HA PRO 481 -5.987 -6.966 5.057 42 HB2 PRO 481 HB2 PRO 481 -5.514 -9.760 4.479 43 HB3 PRO 481 HB1 PRO 481 -6.746 -9.041 5.516 44 HG2 PRO 481 HG2 PRO 481 -7.307 -10.318 3.171 45 HG3 PRO 481 HG1 PRO 481 -8.318 -9.030 3.851 46 HD2 PRO 481 HD2 PRO 481 -6.257 -8.877 1.680 47 HD3 PRO 481 HD1 PRO 481 -7.865 -8.125 1.760 48 H GLY 482 HN GLY 482 -4.186 -6.365 2.666 49 HA2 GLY 482 HA2 GLY 482 -1.695 -7.670 3.623 50 HA3 GLY 482 HA1 GLY 482 -1.941 -7.066 1.953 51 H TRP 483 HN TRP 483 -3.281 -4.958 4.344 52 HA TRP 483 HA TRP 483 -1.455 -3.318 2.778 53 HB2 TRP 483 HB2 TRP 483 -4.445 -3.237 2.792 54 HB3 TRP 483 HB1 TRP 483 -3.400 -2.075 1.953 55 HD1 TRP 483 HD1 TRP 483 -4.773 -5.547 1.587 56 HE1 TRP 483 HE1 TRP 483 -3.727 -6.681 -0.457 57 HE3 TRP 483 HE3 TRP 483 -1.247 -2.139 0.445 58 HZ2 TRP 483 HZ2 TRP 483 -1.901 -6.247 -2.195 59 HZ3 TRP 483 HZ3 TRP 483 0.145 -2.648 -1.464 60 HH2 TRP 483 HH2 TRP 483 -0.163 -4.598 -2.814 61 H GLU 484 HN GLU 484 -0.559 -1.866 3.545 62 HA GLU 484 HA GLU 484 -1.489 -0.405 5.908 63 HB2 GLU 484 HB2 GLU 484 1.006 -1.395 5.238 64 HB3 GLU 484 HB1 GLU 484 1.107 0.249 4.666 65 HG2 GLU 484 HG2 GLU 484 1.893 -0.366 7.035 66 HG3 GLU 484 HG1 GLU 484 1.036 1.138 6.744 67 H MET 485 HN MET 485 -2.857 1.221 5.205 68 HA MET 485 HA MET 485 -2.138 2.682 2.797 69 HB2 MET 485 HB2 MET 485 -4.523 2.256 3.255 70 HB3 MET 485 HB1 MET 485 -4.399 3.192 4.737 71 HG2 MET 485 HG2 MET 485 -3.643 4.434 2.128 72 HG3 MET 485 HG1 MET 485 -5.339 4.285 2.570 73 HE1 MET 485 HE1 MET 485 -4.572 8.084 3.150 74 HE2 MET 485 HE2 MET 485 -5.613 6.918 2.334 75 HE3 MET 485 HE3 MET 485 -3.911 7.043 1.889 76 H ARG 486 HN ARG 486 -0.396 3.880 3.115 77 HA ARG 486 HA ARG 486 -0.430 5.706 5.415 78 HB2 ARG 486 HB2 ARG 486 1.925 4.384 4.067 79 HB3 ARG 486 HB1 ARG 486 2.083 5.723 5.198 80 HG2 ARG 486 HG2 ARG 486 0.782 3.086 5.845 81 HG3 ARG 486 HG1 ARG 486 2.457 3.500 6.218 82 HD2 ARG 486 HD2 ARG 486 0.118 5.140 7.164 83 HD3 ARG 486 HD1 ARG 486 0.768 3.787 8.089 84 HE ARG 486 HE ARG 486 2.941 5.070 8.023 85 HH11 ARG 486 HH11 ARG 486 -0.144 6.719 7.771 86 HH12 ARG 486 HH12 ARG 486 0.440 8.172 8.521 87 HH21 ARG 486 HH21 ARG 486 3.695 6.949 9.004 88 HH22 ARG 486 HH22 ARG 486 2.622 8.310 9.216 89 H ILE 487 HN ILE 487 -0.981 7.592 4.757 90 HA ILE 487 HA ILE 487 -0.192 8.634 2.156 91 HB ILE 487 HB ILE 487 -2.389 9.090 2.593 92 HG12 ILE 487 HG12 ILE 487 -0.748 11.556 3.272 93 HG13 ILE 487 HG11 ILE 487 -1.237 10.999 1.677 94 HG21 ILE 487 HG21 ILE 487 -3.214 10.095 4.673 95 HG22 ILE 487 HG22 ILE 487 -1.586 9.990 5.345 96 HG23 ILE 487 HG23 ILE 487 -2.457 8.515 4.903 97 HD11 ILE 487 HD11 ILE 487 -2.585 12.878 2.415 98 HD12 ILE 487 HD12 ILE 487 -3.108 11.954 3.824 99 HD13 ILE 487 HD13 ILE 487 -3.562 11.423 2.204 100 H ALA 488 HN ALA 488 1.562 9.647 1.870 101 HA ALA 488 HA ALA 488 3.255 10.083 4.153 102 HB1 ALA 488 HB1 ALA 488 3.840 10.259 1.210 103 HB2 ALA 488 HB2 ALA 488 4.141 8.874 2.257 104 HB3 ALA 488 HB3 ALA 488 5.036 10.374 2.503 105 HA PRO 489 HA PRO 489 2.782 14.490 4.399 106 HB2 PRO 489 HB2 PRO 489 5.748 14.692 4.341 107 HB3 PRO 489 HB1 PRO 489 4.591 15.334 5.515 108 HG2 PRO 489 HG2 PRO 489 6.052 13.196 6.096 109 HG3 PRO 489 HG1 PRO 489 4.352 13.291 6.590 110 HD2 PRO 489 HD2 PRO 489 5.590 11.760 4.341 111 HD3 PRO 489 HD1 PRO 489 4.268 11.293 5.430 112 H ASN 490 HN ASN 490 4.243 13.079 1.637 113 HA ASN 490 HA ASN 490 4.573 15.705 0.340 114 HB2 ASN 490 HB2 ASN 490 5.378 14.210 -1.609 115 HB3 ASN 490 HB1 ASN 490 6.424 14.332 -0.196 116 HD21 ASN 490 HD21 ASN 490 7.247 12.264 -1.174 117 HD22 ASN 490 HD22 ASN 490 6.493 10.818 -0.628 118 H GLY 491 HN GLY 491 2.356 13.220 0.820 119 HA2 GLY 491 HA2 GLY 491 0.092 13.460 0.018 120 HA3 GLY 491 HA1 GLY 491 0.735 14.162 -1.465 121 H ARG 492 HN ARG 492 2.352 11.481 -0.084 122 HA ARG 492 HA ARG 492 1.451 9.799 -2.310 123 HB2 ARG 492 HB2 ARG 492 3.914 9.619 -0.579 124 HB3 ARG 492 HB1 ARG 492 3.517 8.506 -1.839 125 HG2 ARG 492 HG2 ARG 492 3.414 10.971 -3.072 126 HG3 ARG 492 HG1 ARG 492 4.790 11.046 -1.964 127 HD2 ARG 492 HD2 ARG 492 4.714 8.569 -3.442 128 HD3 ARG 492 HD1 ARG 492 4.795 9.974 -4.503 129 HE ARG 492 HE ARG 492 6.718 9.579 -2.285 130 HH11 ARG 492 HH11 ARG 492 6.016 10.090 -5.691 131 HH12 ARG 492 HH12 ARG 492 7.658 10.491 -6.088 132 HH21 ARG 492 HH21 ARG 492 8.850 10.118 -2.795 133 HH22 ARG 492 HH22 ARG 492 9.277 10.540 -4.433 134 HA PRO 493 HA PRO 493 -0.152 7.153 0.983 135 HB2 PRO 493 HB2 PRO 493 -2.474 6.773 -0.680 136 HB3 PRO 493 HB1 PRO 493 -2.389 7.499 0.928 137 HG2 PRO 493 HG2 PRO 493 -2.985 8.959 -1.235 138 HG3 PRO 493 HG1 PRO 493 -2.046 9.625 0.097 139 HD2 PRO 493 HD2 PRO 493 -1.023 8.438 -2.489 140 HD3 PRO 493 HD1 PRO 493 -0.640 10.025 -1.765 141 H PHE 494 HN PHE 494 1.189 5.595 0.753 142 HA PHE 494 HA PHE 494 1.450 4.218 -1.792 143 HB2 PHE 494 HB2 PHE 494 2.752 3.197 0.647 144 HB3 PHE 494 HB1 PHE 494 3.446 3.438 -0.916 145 HD1 PHE 494 HD2 PHE 494 2.718 4.923 2.314 146 HD2 PHE 494 HD1 PHE 494 4.679 5.544 -1.405 147 HE1 PHE 494 HE2 PHE 494 3.977 6.668 3.312 148 HE2 PHE 494 HE1 PHE 494 5.944 7.399 -0.391 149 HZ PHE 494 HZ PHE 494 5.623 7.939 2.003 150 H PHE 495 HN PHE 495 0.016 2.442 -1.998 151 HA PHE 495 HA PHE 495 -1.169 1.447 0.477 152 HB2 PHE 495 HB2 PHE 495 -1.647 0.648 -2.418 153 HB3 PHE 495 HB1 PHE 495 -2.521 -0.003 -1.038 154 HD1 PHE 495 HD1 PHE 495 -2.684 2.685 0.463 155 HD2 PHE 495 HD2 PHE 495 -3.549 1.535 -3.543 156 HE1 PHE 495 HE1 PHE 495 -4.314 4.517 0.295 157 HE2 PHE 495 HE2 PHE 495 -5.177 3.372 -3.719 158 HZ PHE 495 HZ PHE 495 -5.562 4.865 -1.799 159 H TYR 496 HN TYR 496 0.273 0.066 1.541 160 HA TYR 496 HA TYR 496 2.067 -1.520 -0.168 161 HB2 TYR 496 HB2 TYR 496 3.591 -0.323 0.933 162 HB3 TYR 496 HB1 TYR 496 2.532 0.087 2.277 163 HD1 TYR 496 HD1 TYR 496 2.365 -1.542 4.191 164 HD2 TYR 496 HD2 TYR 496 5.159 -2.135 1.030 165 HE1 TYR 496 HE1 TYR 496 3.616 -3.123 5.593 166 HE2 TYR 496 HE2 TYR 496 6.409 -3.704 2.430 167 HH TYR 496 HH TYR 496 6.726 -4.166 4.858 168 H ASP 497 HN ASP 497 2.143 -3.633 -0.112 169 HA ASP 497 HA ASP 497 0.203 -5.125 1.547 170 HB2 ASP 497 HB2 ASP 497 0.491 -5.600 -0.894 171 HB3 ASP 497 HB1 ASP 497 2.141 -6.127 -0.582 172 H HIS 498 HN HIS 498 1.000 -6.381 3.344 173 HA HIS 498 HA HIS 498 3.774 -5.955 4.076 174 HB2 HIS 498 HB2 HIS 498 1.705 -7.539 5.611 175 HB3 HIS 498 HB1 HIS 498 3.244 -6.951 6.224 176 HD1 HIS 498 HD1 HIS 498 1.161 -4.641 4.201 177 HD2 HIS 498 HD2 HIS 498 1.859 -5.447 8.202 178 HE1 HIS 498 HE1 HIS 498 -0.114 -2.922 5.437 179 HE2 HIS 498 HE2 HIS 498 0.560 -3.227 7.855 180 H ASN 499 HN ASN 499 1.966 -8.432 2.568 181 HA ASN 499 HA ASN 499 3.670 -10.607 3.428 182 HB2 ASN 499 HB2 ASN 499 1.779 -10.766 1.091 183 HB3 ASN 499 HB1 ASN 499 2.258 -12.037 2.207 184 HD21 ASN 499 HD21 ASN 499 0.145 -9.364 1.634 185 HD22 ASN 499 HD22 ASN 499 -0.893 -9.632 2.998 186 H THR 500 HN THR 500 3.201 -8.553 0.651 187 HA THR 500 HA THR 500 5.350 -9.862 -0.824 188 HB THR 500 HB THR 500 3.873 -7.409 -1.740 189 HG1 THR 500 HG1 THR 500 2.342 -9.037 -0.979 190 HG21 THR 500 HG21 THR 500 4.181 -8.444 -3.948 191 HG22 THR 500 HG22 THR 500 4.985 -9.817 -3.188 192 HG23 THR 500 HG23 THR 500 5.723 -8.217 -3.122 193 H LYS 501 HN LYS 501 4.907 -7.324 1.360 194 HA LYS 501 HA LYS 501 6.197 -5.638 2.162 195 HB2 LYS 501 HB2 LYS 501 8.372 -7.069 0.636 196 HB3 LYS 501 HB1 LYS 501 8.649 -5.772 1.780 197 HG2 LYS 501 HG2 LYS 501 7.376 -8.412 2.475 198 HG3 LYS 501 HG1 LYS 501 9.080 -8.020 2.709 199 HD2 LYS 501 HD2 LYS 501 8.380 -6.114 4.143 200 HD3 LYS 501 HD1 LYS 501 6.714 -6.669 4.000 201 HE2 LYS 501 HE2 LYS 501 8.996 -8.279 5.140 202 HE3 LYS 501 HE1 LYS 501 7.792 -7.410 6.089 203 HZ1 LYS 501 HZ1 LYS 501 7.330 -9.731 4.294 204 HZ2 LYS 501 HZ2 LYS 501 6.084 -8.812 4.981 205 HZ3 LYS 501 HZ3 LYS 501 7.148 -9.676 5.980 206 H THR 502 HN THR 502 4.845 -5.422 -0.459 207 HA THR 502 HA THR 502 6.698 -3.715 -1.955 208 HB THR 502 HB THR 502 5.753 -5.541 -3.263 209 HG1 THR 502 HG1 THR 502 4.328 -3.421 -4.349 210 HG21 THR 502 HG21 THR 502 3.649 -5.868 -2.067 211 HG22 THR 502 HG22 THR 502 3.357 -5.628 -3.790 212 HG23 THR 502 HG23 THR 502 3.061 -4.313 -2.653 213 H THR 503 HN THR 503 6.473 -1.616 -1.953 214 HA THR 503 HA THR 503 4.030 -0.346 -1.029 215 HB THR 503 HB THR 503 5.622 1.695 -1.871 216 HG1 THR 503 HG1 THR 503 7.776 1.140 -1.421 217 HG21 THR 503 HG21 THR 503 6.431 1.871 0.457 218 HG22 THR 503 HG22 THR 503 5.827 0.245 0.767 219 HG23 THR 503 HG23 THR 503 4.702 1.545 0.362 220 H THR 504 HN THR 504 2.415 -0.086 -2.511 221 HA THR 504 HA THR 504 3.233 0.410 -5.294 222 HB THR 504 HB THR 504 2.296 -1.918 -4.839 223 HG1 THR 504 HG1 THR 504 0.860 -1.714 -6.756 224 HG21 THR 504 HG21 THR 504 -0.287 -0.378 -4.617 225 HG22 THR 504 HG22 THR 504 0.484 -1.306 -3.330 226 HG23 THR 504 HG23 THR 504 -0.139 -2.129 -4.758 227 H TRP 505 HN TRP 505 2.016 1.887 -6.470 228 HA TRP 505 HA TRP 505 0.036 3.393 -4.915 229 HB2 TRP 505 HB2 TRP 505 0.887 4.273 -7.635 230 HB3 TRP 505 HB1 TRP 505 0.435 5.237 -6.239 231 HD1 TRP 505 HD1 TRP 505 3.387 3.771 -8.033 232 HE1 TRP 505 HE1 TRP 505 5.567 4.609 -6.951 233 HE3 TRP 505 HE3 TRP 505 1.479 5.873 -3.708 234 HZ2 TRP 505 HZ2 TRP 505 6.357 5.995 -4.664 235 HZ3 TRP 505 HZ3 TRP 505 3.033 6.935 -2.188 236 HH2 TRP 505 HH2 TRP 505 5.418 6.999 -2.635 237 H GLU 506 HN GLU 506 0.344 0.979 -7.162 238 HA GLU 506 HA GLU 506 -1.978 1.460 -8.775 239 HB2 GLU 506 HB2 GLU 506 -0.354 -1.046 -8.287 240 HB3 GLU 506 HB1 GLU 506 -1.635 -0.901 -9.483 241 HG2 GLU 506 HG2 GLU 506 0.940 0.656 -9.436 242 HG3 GLU 506 HG1 GLU 506 0.547 -0.686 -10.510 243 H ASP 507 HN ASP 507 -3.974 0.306 -8.632 244 HA ASP 507 HA ASP 507 -4.987 0.123 -6.030 245 HB2 ASP 507 HB2 ASP 507 -6.495 0.577 -7.848 246 HB3 ASP 507 HB1 ASP 507 -6.104 -0.958 -8.618 247 HA PRO 508 HA PRO 508 -3.408 -3.940 -4.967 248 HB2 PRO 508 HB2 PRO 508 -4.159 -3.373 -2.309 249 HB3 PRO 508 HB1 PRO 508 -2.546 -3.240 -3.009 250 HG2 PRO 508 HG2 PRO 508 -4.086 -1.127 -2.119 251 HG3 PRO 508 HG1 PRO 508 -2.714 -1.007 -3.225 252 HD2 PRO 508 HD2 PRO 508 -5.626 -0.978 -3.799 253 HD3 PRO 508 HD1 PRO 508 -4.307 -0.077 -4.577 254 H ARG 509 HN ARG 509 -6.423 -2.853 -5.113 255 HA ARG 509 HA ARG 509 -7.551 -4.849 -3.398 256 HB2 ARG 509 HB2 ARG 509 -8.915 -2.745 -5.079 257 HB3 ARG 509 HB1 ARG 509 -9.612 -3.667 -3.743 258 HG2 ARG 509 HG2 ARG 509 -7.814 -2.695 -2.255 259 HG3 ARG 509 HG1 ARG 509 -7.404 -1.629 -3.610 260 HD2 ARG 509 HD2 ARG 509 -10.123 -1.753 -2.326 261 HD3 ARG 509 HD1 ARG 509 -8.886 -0.556 -1.959 262 HE ARG 509 HE ARG 509 -9.151 -0.293 -4.626 263 HH11 ARG 509 HH11 ARG 509 -11.526 -0.483 -2.052 264 HH12 ARG 509 HH12 ARG 509 -12.622 0.644 -2.794 265 HH21 ARG 509 HH21 ARG 509 -10.595 1.188 -5.620 266 HH22 ARG 509 HH22 ARG 509 -12.099 1.583 -4.832 267 H LEU 510 HN LEU 510 -6.268 -4.299 -6.317 268 HA LEU 510 HA LEU 510 -7.818 -5.897 -7.903 269 HB2 LEU 510 HB2 LEU 510 -6.257 -5.728 -9.569 270 HB3 LEU 510 HB1 LEU 510 -5.901 -4.332 -8.592 271 HG LEU 510 HG LEU 510 -3.829 -5.178 -9.281 272 HD11 LEU 510 HD11 LEU 510 -3.916 -6.479 -6.605 273 HD12 LEU 510 HD12 LEU 510 -4.093 -4.733 -6.767 274 HD13 LEU 510 HD13 LEU 510 -2.635 -5.532 -7.356 275 HD21 LEU 510 HD21 LEU 510 -4.709 -7.926 -8.438 276 HD22 LEU 510 HD22 LEU 510 -3.106 -7.498 -9.033 277 HD23 LEU 510 HD23 LEU 510 -4.510 -7.341 -10.090 278 H LYS 511 HN LYS 511 -5.644 -6.685 -5.393 279 HA LYS 511 HA LYS 511 -5.178 -9.411 -6.209 280 HB2 LYS 511 HB2 LYS 511 -3.954 -9.693 -4.074 281 HB3 LYS 511 HB1 LYS 511 -3.326 -8.421 -5.102 282 HG2 LYS 511 HG2 LYS 511 -3.278 -7.222 -3.239 283 HG3 LYS 511 HG1 LYS 511 -5.011 -7.033 -3.492 284 HD2 LYS 511 HD2 LYS 511 -4.510 -7.678 -1.200 285 HD3 LYS 511 HD1 LYS 511 -5.444 -8.926 -2.024 286 HE2 LYS 511 HE2 LYS 511 -3.571 -9.836 -0.656 287 HE3 LYS 511 HE1 LYS 511 -3.470 -10.269 -2.359 288 HZ1 LYS 511 HZ1 LYS 511 -1.311 -9.656 -1.671 289 HZ2 LYS 511 HZ2 LYS 511 -1.841 -8.240 -0.914 290 HZ3 LYS 511 HZ3 LYS 511 -1.875 -8.361 -2.609 291 H PHE 512 HN PHE 512 -7.707 -7.860 -4.878 292 HA PHE 512 HA PHE 512 -8.615 -9.139 -2.812 293 HB2 PHE 512 HB2 PHE 512 -9.916 -7.746 -4.902 294 HB3 PHE 512 HB1 PHE 512 -10.977 -8.819 -3.990 295 HD1 PHE 512 HD2 PHE 512 -8.209 -6.336 -3.252 296 HD2 PHE 512 HD1 PHE 512 -12.108 -7.877 -2.289 297 HE1 PHE 512 HE2 PHE 512 -8.452 -4.715 -1.448 298 HE2 PHE 512 HE1 PHE 512 -12.322 -6.220 -0.489 299 HZ PHE 512 HZ PHE 512 -10.496 -4.628 -0.067 300 HA PRO 513 HA PRO 513 -10.345 -12.919 -5.491 301 HB2 PRO 513 HB2 PRO 513 -7.560 -12.861 -6.618 302 HB3 PRO 513 HB1 PRO 513 -9.048 -13.503 -7.337 303 HG2 PRO 513 HG2 PRO 513 -8.206 -11.100 -8.072 304 HG3 PRO 513 HG1 PRO 513 -9.933 -11.351 -7.727 305 HD2 PRO 513 HD2 PRO 513 -7.837 -10.071 -5.973 306 HD3 PRO 513 HD1 PRO 513 -9.505 -9.586 -6.147 307 H VAL 514 HN VAL 514 -7.699 -12.070 -3.451 308 HA VAL 514 HA VAL 514 -6.694 -14.414 -2.510 309 HB VAL 514 HB VAL 514 -6.408 -13.419 -0.301 310 HG11 VAL 514 HG11 VAL 514 -5.386 -11.212 -0.910 311 HG12 VAL 514 HG12 VAL 514 -6.009 -11.456 -2.546 312 HG13 VAL 514 HG13 VAL 514 -4.833 -12.587 -1.875 313 HG21 VAL 514 HG21 VAL 514 -8.337 -11.317 -1.264 314 HG22 VAL 514 HG22 VAL 514 -7.430 -11.258 0.248 315 HG23 VAL 514 HG23 VAL 514 -8.634 -12.522 -0.011 316 H HIS 515 HN HIS 515 -9.774 -13.719 -2.647 317 HA HIS 515 HA HIS 515 -10.574 -15.695 -0.622 318 HB2 HIS 515 HB2 HIS 515 -12.232 -13.439 -1.785 319 HB3 HIS 515 HB1 HIS 515 -12.830 -14.658 -0.667 320 HD1 HIS 515 HD1 HIS 515 -11.060 -14.687 1.628 321 HD2 HIS 515 HD2 HIS 515 -11.737 -11.158 -0.463 322 HE1 HIS 515 HE1 HIS 515 -10.536 -12.833 3.241 323 HE2 HIS 515 HE2 HIS 515 -11.109 -10.707 2.006 324 H1 ALA 202 HT1 ALA 202 12.415 3.296 10.244 325 H2 ALA 202 HT2 ALA 202 12.566 1.609 10.368 326 H3 ALA 202 HT3 ALA 202 11.504 2.445 11.394 327 HA ALA 202 HA ALA 202 10.164 3.107 9.503 328 HB1 ALA 202 HB1 ALA 202 12.016 1.312 7.939 329 HB2 ALA 202 HB2 ALA 202 11.957 3.070 7.834 330 HB3 ALA 202 HB3 ALA 202 10.569 2.111 7.321 331 H GLY 203 HN GLY 203 8.623 2.100 10.695 332 HA2 GLY 203 HA2 GLY 203 8.469 -0.837 10.522 333 HA3 GLY 203 HA1 GLY 203 7.547 0.177 11.629 334 H SEP 204 HN SEP 204 6.611 2.094 9.905 335 HA SEP 204 HA SEP 204 4.687 0.595 8.301 336 HB2 SEP 204 HB2 SEP 204 3.938 3.258 8.243 337 HB3 SEP 204 HB1 SEP 204 3.329 2.044 9.368 338 HA PRO 205 HA PRO 205 6.456 1.621 4.394 339 HB2 PRO 205 HB2 PRO 205 4.169 2.182 2.975 340 HB3 PRO 205 HB1 PRO 205 4.718 0.553 3.361 341 HG2 PRO 205 HG2 PRO 205 2.692 2.211 4.784 342 HG3 PRO 205 HG1 PRO 205 2.612 0.512 4.302 343 HD2 PRO 205 HD2 PRO 205 3.201 1.162 6.802 344 HD3 PRO 205 HD1 PRO 205 4.060 -0.174 5.990 345 H ASN 206 HN ASN 206 7.563 3.574 4.790 346 HA ASN 206 HA ASN 206 6.089 5.916 3.799 347 HB2 ASN 206 HB2 ASN 206 6.779 6.317 6.063 348 HB3 ASN 206 HB1 ASN 206 8.442 5.881 5.694 349 HD21 ASN 206 HD21 ASN 206 6.242 7.895 3.785 350 HD22 ASN 206 HD22 ASN 206 7.175 9.347 3.921 351 H LEU 207 HN LEU 207 8.539 3.691 3.183 352 HA LEU 207 HA LEU 207 10.218 5.349 1.599 353 HB2 LEU 207 HB2 LEU 207 11.244 3.302 0.786 354 HB3 LEU 207 HB1 LEU 207 11.070 3.268 2.526 355 HG LEU 207 HG LEU 207 9.135 1.859 0.692 356 HD11 LEU 207 HD11 LEU 207 11.372 1.006 0.245 357 HD12 LEU 207 HD12 LEU 207 10.407 -0.185 1.119 358 HD13 LEU 207 HD13 LEU 207 11.633 0.754 1.970 359 HD21 LEU 207 HD21 LEU 207 8.364 2.241 2.980 360 HD22 LEU 207 HD22 LEU 207 9.825 1.479 3.606 361 HD23 LEU 207 HD23 LEU 207 8.659 0.528 2.686 362 H SEP 208 HN SEP 208 9.261 6.457 0.032 363 HA SEP 208 HA SEP 208 7.222 5.481 -1.673 364 HB2 SEP 208 HB2 SEP 208 9.156 7.753 -2.170 365 HB3 SEP 208 HB1 SEP 208 7.573 7.559 -2.906 366 HA PRO 209 HA PRO 209 9.956 3.028 -4.337 367 HB2 PRO 209 HB2 PRO 209 7.547 2.895 -6.023 368 HB3 PRO 209 HB1 PRO 209 8.508 1.582 -5.333 369 HG2 PRO 209 HG2 PRO 209 6.056 2.200 -4.418 370 HG3 PRO 209 HG1 PRO 209 7.333 1.583 -3.368 371 HD2 PRO 209 HD2 PRO 209 6.309 4.347 -3.685 372 HD3 PRO 209 HD1 PRO 209 6.862 3.526 -2.212 373 H ASN 210 HN ASN 210 11.240 3.840 -5.856 374 HA ASN 210 HA ASN 210 10.534 6.329 -7.157 375 HB2 ASN 210 HB2 ASN 210 12.820 5.944 -6.276 376 HB3 ASN 210 HB1 ASN 210 13.027 4.628 -7.425 377 HD21 ASN 210 HD21 ASN 210 14.796 5.637 -8.357 378 HD22 ASN 210 HD22 ASN 210 14.625 7.007 -9.403 379 HA PRO 211 HA PRO 211 8.605 4.107 -10.536 380 HB2 PRO 211 HB2 PRO 211 8.741 6.793 -11.789 381 HB3 PRO 211 HB1 PRO 211 7.348 5.732 -11.545 382 HG2 PRO 211 HG2 PRO 211 7.675 7.914 -10.052 383 HG3 PRO 211 HG1 PRO 211 7.048 6.413 -9.346 384 HD2 PRO 211 HD2 PRO 211 9.794 7.588 -9.175 385 HD3 PRO 211 HD1 PRO 211 8.837 6.778 -7.918 Start of MODEL 14 1 H GLN 476 HT1 GLN 476 -7.418 -2.809 5.356 2 HA GLN 476 HA GLN 476 -8.231 -0.639 7.185 3 HB2 GLN 476 HB2 GLN 476 -7.177 -0.507 4.382 4 HB3 GLN 476 HB1 GLN 476 -8.382 0.652 4.916 5 HG2 GLN 476 HG2 GLN 476 -6.197 1.605 5.137 6 HG3 GLN 476 HG1 GLN 476 -6.884 1.341 6.738 7 HE21 GLN 476 HE21 GLN 476 -4.833 1.407 7.654 8 HE22 GLN 476 HE22 GLN 476 -3.724 0.080 7.500 9 H SER 477 HN SER 477 -10.187 0.481 5.977 10 HA SER 477 HA SER 477 -12.129 -1.625 5.552 11 HB2 SER 477 HB2 SER 477 -12.586 1.367 5.531 12 HB3 SER 477 HB1 SER 477 -13.789 0.099 5.774 13 HG SER 477 HG SER 477 -12.352 1.343 7.613 14 H PHE 478 HN PHE 478 -10.162 0.369 3.629 15 HA PHE 478 HA PHE 478 -11.959 0.598 1.303 16 HB2 PHE 478 HB2 PHE 478 -9.071 0.471 0.733 17 HB3 PHE 478 HB1 PHE 478 -10.204 1.726 0.265 18 HD1 PHE 478 HD1 PHE 478 -10.869 2.610 3.214 19 HD2 PHE 478 HD2 PHE 478 -7.280 1.718 1.075 20 HE1 PHE 478 HE1 PHE 478 -9.502 3.748 4.929 21 HE2 PHE 478 HE2 PHE 478 -5.989 2.849 2.729 22 HZ PHE 478 HZ PHE 478 -7.052 3.758 4.642 23 H LEU 479 HN LEU 479 -9.759 -1.552 2.904 24 HA LEU 479 HA LEU 479 -8.342 -2.076 0.424 25 HB2 LEU 479 HB2 LEU 479 -7.665 0.057 1.479 26 HB3 LEU 479 HB1 LEU 479 -7.113 -0.736 2.933 27 HG LEU 479 HG LEU 479 -5.660 -2.035 0.991 28 HD11 LEU 479 HD11 LEU 479 -6.861 -0.415 -0.603 29 HD12 LEU 479 HD12 LEU 479 -5.122 -0.641 -0.768 30 HD13 LEU 479 HD13 LEU 479 -5.747 0.793 0.045 31 HD21 LEU 479 HD21 LEU 479 -4.891 0.639 2.154 32 HD22 LEU 479 HD22 LEU 479 -3.805 -0.630 1.557 33 HD23 LEU 479 HD23 LEU 479 -4.772 -0.899 3.012 34 HA PRO 480 HA PRO 480 -8.120 -6.193 1.674 35 HB2 PRO 480 HB2 PRO 480 -5.422 -6.538 0.732 36 HB3 PRO 480 HB1 PRO 480 -6.800 -7.101 0.046 37 HG2 PRO 480 HG2 PRO 480 -5.318 -5.137 -1.034 38 HG3 PRO 480 HG1 PRO 480 -7.026 -5.402 -1.407 39 HD2 PRO 480 HD2 PRO 480 -5.757 -3.319 0.231 40 HD3 PRO 480 HD1 PRO 480 -7.320 -3.319 -0.600 41 HA PRO 481 HA PRO 481 -5.678 -6.995 5.373 42 HB2 PRO 481 HB2 PRO 481 -5.362 -9.660 5.315 43 HB3 PRO 481 HB1 PRO 481 -6.951 -8.919 5.531 44 HG2 PRO 481 HG2 PRO 481 -5.716 -10.060 3.054 45 HG3 PRO 481 HG1 PRO 481 -7.362 -10.268 3.680 46 HD2 PRO 481 HD2 PRO 481 -6.712 -8.507 1.701 47 HD3 PRO 481 HD1 PRO 481 -8.073 -8.266 2.815 48 H GLY 482 HN GLY 482 -4.053 -6.229 3.036 49 HA2 GLY 482 HA2 GLY 482 -1.541 -7.699 3.633 50 HA3 GLY 482 HA1 GLY 482 -1.907 -6.995 2.024 51 H TRP 483 HN TRP 483 -3.067 -4.991 4.543 52 HA TRP 483 HA TRP 483 -1.229 -3.293 3.044 53 HB2 TRP 483 HB2 TRP 483 -4.230 -3.157 3.082 54 HB3 TRP 483 HB1 TRP 483 -3.160 -2.018 2.249 55 HD1 TRP 483 HD1 TRP 483 -4.652 -5.463 1.834 56 HE1 TRP 483 HE1 TRP 483 -3.734 -6.545 -0.285 57 HE3 TRP 483 HE3 TRP 483 -1.124 -2.077 0.623 58 HZ2 TRP 483 HZ2 TRP 483 -1.995 -6.076 -2.125 59 HZ3 TRP 483 HZ3 TRP 483 0.140 -2.527 -1.348 60 HH2 TRP 483 HH2 TRP 483 -0.262 -4.430 -2.770 61 H GLU 484 HN GLU 484 -0.863 -1.353 3.554 62 HA GLU 484 HA GLU 484 -1.965 -0.218 6.036 63 HB2 GLU 484 HB2 GLU 484 0.352 -1.220 6.395 64 HB3 GLU 484 HB1 GLU 484 0.961 -0.039 5.271 65 HG2 GLU 484 HG2 GLU 484 1.245 0.456 7.687 66 HG3 GLU 484 HG1 GLU 484 0.523 1.728 6.706 67 H MET 485 HN MET 485 -2.950 1.603 5.413 68 HA MET 485 HA MET 485 -2.139 2.822 2.897 69 HB2 MET 485 HB2 MET 485 -4.552 2.396 3.409 70 HB3 MET 485 HB1 MET 485 -4.443 3.616 4.672 71 HG2 MET 485 HG2 MET 485 -3.694 4.247 1.842 72 HG3 MET 485 HG1 MET 485 -5.372 4.287 2.365 73 HE1 MET 485 HE1 MET 485 -4.058 6.793 1.039 74 HE2 MET 485 HE2 MET 485 -4.573 8.082 2.129 75 HE3 MET 485 HE3 MET 485 -5.696 6.794 1.695 76 H ARG 486 HN ARG 486 -0.545 4.202 3.023 77 HA ARG 486 HA ARG 486 -0.692 6.231 5.136 78 HB2 ARG 486 HB2 ARG 486 1.722 4.822 4.035 79 HB3 ARG 486 HB1 ARG 486 1.851 6.403 4.791 80 HG2 ARG 486 HG2 ARG 486 0.766 3.918 6.098 81 HG3 ARG 486 HG1 ARG 486 2.378 4.598 6.343 82 HD2 ARG 486 HD2 ARG 486 1.293 6.696 7.139 83 HD3 ARG 486 HD1 ARG 486 -0.264 5.876 7.036 84 HE ARG 486 HE ARG 486 1.827 5.441 9.012 85 HH11 ARG 486 HH11 ARG 486 -1.199 4.361 7.625 86 HH12 ARG 486 HH12 ARG 486 -1.615 3.372 8.985 87 HH21 ARG 486 HH21 ARG 486 1.280 4.195 10.814 88 HH22 ARG 486 HH22 ARG 486 -0.207 3.279 10.821 89 H ILE 487 HN ILE 487 -1.405 7.979 4.197 90 HA ILE 487 HA ILE 487 -0.300 8.871 1.647 91 HB ILE 487 HB ILE 487 -2.552 9.355 1.794 92 HG12 ILE 487 HG12 ILE 487 -0.882 11.820 2.414 93 HG13 ILE 487 HG11 ILE 487 -1.341 11.176 0.842 94 HG21 ILE 487 HG21 ILE 487 -2.905 8.962 4.111 95 HG22 ILE 487 HG22 ILE 487 -3.589 10.535 3.684 96 HG23 ILE 487 HG23 ILE 487 -2.052 10.445 4.548 97 HD11 ILE 487 HD11 ILE 487 -3.239 12.370 2.844 98 HD12 ILE 487 HD12 ILE 487 -3.665 11.736 1.253 99 HD13 ILE 487 HD13 ILE 487 -2.628 13.157 1.387 100 H ALA 488 HN ALA 488 1.484 9.836 1.554 101 HA ALA 488 HA ALA 488 2.859 10.255 4.035 102 HB1 ALA 488 HB1 ALA 488 3.877 10.304 1.209 103 HB2 ALA 488 HB2 ALA 488 3.891 8.918 2.296 104 HB3 ALA 488 HB3 ALA 488 4.867 10.338 2.667 105 HA PRO 489 HA PRO 489 2.676 14.672 4.058 106 HB2 PRO 489 HB2 PRO 489 5.287 15.301 4.717 107 HB3 PRO 489 HB1 PRO 489 4.032 14.826 5.866 108 HG2 PRO 489 HG2 PRO 489 6.186 13.167 4.622 109 HG3 PRO 489 HG1 PRO 489 5.585 13.160 6.291 110 HD2 PRO 489 HD2 PRO 489 4.848 11.272 4.547 111 HD3 PRO 489 HD1 PRO 489 3.701 11.919 5.740 112 H ASN 490 HN ASN 490 4.326 13.059 1.592 113 HA ASN 490 HA ASN 490 5.021 15.650 0.373 114 HB2 ASN 490 HB2 ASN 490 6.260 14.274 -1.329 115 HB3 ASN 490 HB1 ASN 490 6.916 14.207 0.300 116 HD21 ASN 490 HD21 ASN 490 7.540 12.304 -1.602 117 HD22 ASN 490 HD22 ASN 490 6.862 10.798 -1.106 118 H GLY 491 HN GLY 491 2.678 13.245 0.480 119 HA2 GLY 491 HA2 GLY 491 0.589 13.734 -0.664 120 HA3 GLY 491 HA1 GLY 491 1.537 14.237 -2.061 121 H ARG 492 HN ARG 492 2.313 11.435 -0.158 122 HA ARG 492 HA ARG 492 1.734 9.775 -2.515 123 HB2 ARG 492 HB2 ARG 492 3.939 9.461 -0.490 124 HB3 ARG 492 HB1 ARG 492 3.657 8.422 -1.828 125 HG2 ARG 492 HG2 ARG 492 3.873 10.780 -3.099 126 HG3 ARG 492 HG1 ARG 492 4.953 10.993 -1.714 127 HD2 ARG 492 HD2 ARG 492 6.130 8.948 -2.308 128 HD3 ARG 492 HD1 ARG 492 5.078 8.755 -3.709 129 HE ARG 492 HE ARG 492 6.389 11.291 -3.698 130 HH11 ARG 492 HH11 ARG 492 6.810 7.907 -4.479 131 HH12 ARG 492 HH12 ARG 492 8.081 8.195 -5.621 132 HH21 ARG 492 HH21 ARG 492 8.051 11.674 -5.227 133 HH22 ARG 492 HH22 ARG 492 8.787 10.329 -6.051 134 HA PRO 493 HA PRO 493 -0.356 7.267 0.643 135 HB2 PRO 493 HB2 PRO 493 -2.464 6.913 -1.296 136 HB3 PRO 493 HB1 PRO 493 -2.556 7.680 0.293 137 HG2 PRO 493 HG2 PRO 493 -2.827 9.105 -1.955 138 HG3 PRO 493 HG1 PRO 493 -2.030 9.772 -0.534 139 HD2 PRO 493 HD2 PRO 493 -0.746 8.478 -2.947 140 HD3 PRO 493 HD1 PRO 493 -0.399 10.076 -2.227 141 H PHE 494 HN PHE 494 1.056 5.741 0.552 142 HA PHE 494 HA PHE 494 1.425 4.203 -1.894 143 HB2 PHE 494 HB2 PHE 494 2.600 3.259 0.640 144 HB3 PHE 494 HB1 PHE 494 3.358 3.439 -0.896 145 HD1 PHE 494 HD2 PHE 494 2.407 5.126 2.182 146 HD2 PHE 494 HD1 PHE 494 4.781 5.398 -1.337 147 HE1 PHE 494 HE2 PHE 494 3.650 6.873 3.202 148 HE2 PHE 494 HE1 PHE 494 6.041 7.248 -0.300 149 HZ PHE 494 HZ PHE 494 5.504 7.960 2.014 150 H PHE 495 HN PHE 495 -0.024 2.435 -2.064 151 HA PHE 495 HA PHE 495 -1.321 1.550 0.410 152 HB2 PHE 495 HB2 PHE 495 -1.623 0.608 -2.477 153 HB3 PHE 495 HB1 PHE 495 -2.551 -0.010 -1.116 154 HD1 PHE 495 HD1 PHE 495 -3.802 1.818 0.282 155 HD2 PHE 495 HD2 PHE 495 -2.532 2.304 -3.747 156 HE1 PHE 495 HE1 PHE 495 -5.451 3.616 -0.013 157 HE2 PHE 495 HE2 PHE 495 -4.181 4.103 -4.055 158 HZ PHE 495 HZ PHE 495 -5.644 4.762 -2.182 159 H TYR 496 HN TYR 496 0.204 0.269 1.592 160 HA TYR 496 HA TYR 496 2.109 -1.267 -0.031 161 HB2 TYR 496 HB2 TYR 496 3.404 0.184 1.131 162 HB3 TYR 496 HB1 TYR 496 2.399 0.197 2.563 163 HD1 TYR 496 HD2 TYR 496 4.858 -1.909 0.653 164 HD2 TYR 496 HD1 TYR 496 3.026 -1.123 4.416 165 HE1 TYR 496 HE2 TYR 496 6.454 -3.411 1.744 166 HE2 TYR 496 HE1 TYR 496 4.627 -2.628 5.511 167 HH TYR 496 HH TYR 496 7.432 -3.727 4.021 168 H ASP 497 HN ASP 497 2.243 -3.318 -0.031 169 HA ASP 497 HA ASP 497 0.307 -4.952 1.475 170 HB2 ASP 497 HB2 ASP 497 0.609 -5.239 -0.961 171 HB3 ASP 497 HB1 ASP 497 2.307 -5.630 -0.727 172 H HIS 498 HN HIS 498 1.006 -6.471 3.012 173 HA HIS 498 HA HIS 498 3.844 -6.366 3.764 174 HB2 HIS 498 HB2 HIS 498 1.461 -7.281 5.402 175 HB3 HIS 498 HB1 HIS 498 3.121 -7.166 5.978 176 HD1 HIS 498 HD1 HIS 498 1.363 -4.536 3.939 177 HD2 HIS 498 HD2 HIS 498 2.749 -5.103 7.801 178 HE1 HIS 498 HE1 HIS 498 1.097 -2.346 5.037 179 HE2 HIS 498 HE2 HIS 498 1.702 -2.760 7.464 180 H ASN 499 HN ASN 499 1.680 -8.283 2.138 181 HA ASN 499 HA ASN 499 2.577 -10.866 2.980 182 HB2 ASN 499 HB2 ASN 499 1.279 -10.075 0.355 183 HB3 ASN 499 HB1 ASN 499 1.444 -11.711 0.975 184 HD21 ASN 499 HD21 ASN 499 0.785 -10.825 3.732 185 HD22 ASN 499 HD22 ASN 499 -0.924 -10.583 3.724 186 H THR 500 HN THR 500 3.203 -8.792 0.186 187 HA THR 500 HA THR 500 5.628 -10.357 -0.414 188 HB THR 500 HB THR 500 4.550 -8.295 -2.288 189 HG1 THR 500 HG1 THR 500 2.681 -9.431 -1.740 190 HG21 THR 500 HG21 THR 500 6.598 -9.506 -2.850 191 HG22 THR 500 HG22 THR 500 5.298 -9.938 -3.961 192 HG23 THR 500 HG23 THR 500 5.752 -11.043 -2.664 193 H LYS 501 HN LYS 501 4.682 -7.621 1.155 194 HA LYS 501 HA LYS 501 5.758 -5.816 2.034 195 HB2 LYS 501 HB2 LYS 501 8.320 -6.726 0.762 196 HB3 LYS 501 HB1 LYS 501 8.109 -5.782 2.220 197 HG2 LYS 501 HG2 LYS 501 7.394 -8.690 1.926 198 HG3 LYS 501 HG1 LYS 501 8.860 -8.068 2.684 199 HD2 LYS 501 HD2 LYS 501 7.502 -6.929 4.368 200 HD3 LYS 501 HD1 LYS 501 6.033 -7.531 3.598 201 HE2 LYS 501 HE2 LYS 501 8.212 -9.231 4.806 202 HE3 LYS 501 HE1 LYS 501 6.656 -8.876 5.553 203 HZ1 LYS 501 HZ1 LYS 501 7.045 -10.341 2.990 204 HZ2 LYS 501 HZ2 LYS 501 5.556 -10.006 3.731 205 HZ3 LYS 501 HZ3 LYS 501 6.658 -11.044 4.483 206 H THR 502 HN THR 502 4.567 -5.667 -0.599 207 HA THR 502 HA THR 502 6.477 -4.026 -2.088 208 HB THR 502 HB THR 502 5.538 -5.829 -3.395 209 HG1 THR 502 HG1 THR 502 4.313 -4.301 -4.970 210 HG21 THR 502 HG21 THR 502 2.836 -4.597 -2.834 211 HG22 THR 502 HG22 THR 502 3.419 -6.147 -2.223 212 HG23 THR 502 HG23 THR 502 3.151 -5.924 -3.953 213 H THR 503 HN THR 503 6.287 -1.921 -2.226 214 HA THR 503 HA THR 503 3.983 -0.557 -1.094 215 HB THR 503 HB THR 503 5.629 1.421 -2.010 216 HG1 THR 503 HG1 THR 503 7.431 0.467 -2.610 217 HG21 THR 503 HG21 THR 503 6.705 1.342 0.290 218 HG22 THR 503 HG22 THR 503 5.741 -0.104 0.584 219 HG23 THR 503 HG23 THR 503 4.948 1.436 0.247 220 H THR 504 HN THR 504 2.273 -0.503 -2.513 221 HA THR 504 HA THR 504 2.865 -0.107 -5.360 222 HB THR 504 HB THR 504 0.827 -1.145 -5.882 223 HG1 THR 504 HG1 THR 504 -0.842 -0.464 -4.762 224 HG21 THR 504 HG21 THR 504 2.449 -2.702 -4.777 225 HG22 THR 504 HG22 THR 504 0.765 -3.213 -4.677 226 HG23 THR 504 HG23 THR 504 1.545 -2.481 -3.273 227 H TRP 505 HN TRP 505 2.096 1.697 -6.479 228 HA TRP 505 HA TRP 505 0.379 3.536 -4.963 229 HB2 TRP 505 HB2 TRP 505 1.310 4.005 -7.787 230 HB3 TRP 505 HB1 TRP 505 0.774 5.183 -6.602 231 HD1 TRP 505 HD1 TRP 505 3.795 3.690 -8.082 232 HE1 TRP 505 HE1 TRP 505 5.908 4.563 -6.909 233 HE3 TRP 505 HE3 TRP 505 1.663 5.813 -3.860 234 HZ2 TRP 505 HZ2 TRP 505 6.580 5.962 -4.594 235 HZ3 TRP 505 HZ3 TRP 505 3.141 6.893 -2.274 236 HH2 TRP 505 HH2 TRP 505 5.544 6.965 -2.617 237 H GLU 506 HN GLU 506 0.411 1.167 -7.408 238 HA GLU 506 HA GLU 506 -2.078 1.683 -8.654 239 HB2 GLU 506 HB2 GLU 506 -0.745 -1.012 -8.323 240 HB3 GLU 506 HB1 GLU 506 -1.884 -0.533 -9.570 241 HG2 GLU 506 HG2 GLU 506 0.102 -0.484 -10.704 242 HG3 GLU 506 HG1 GLU 506 -0.063 1.198 -10.209 243 H ASP 507 HN ASP 507 -4.075 0.611 -8.303 244 HA ASP 507 HA ASP 507 -4.800 0.457 -5.599 245 HB2 ASP 507 HB2 ASP 507 -6.446 1.069 -7.212 246 HB3 ASP 507 HB1 ASP 507 -6.253 -0.452 -8.079 247 HA PRO 508 HA PRO 508 -3.317 -3.654 -4.676 248 HB2 PRO 508 HB2 PRO 508 -3.663 -3.447 -2.076 249 HB3 PRO 508 HB1 PRO 508 -2.434 -2.459 -2.879 250 HG2 PRO 508 HG2 PRO 508 -5.244 -1.723 -2.128 251 HG3 PRO 508 HG1 PRO 508 -3.744 -0.871 -1.774 252 HD2 PRO 508 HD2 PRO 508 -5.300 -0.162 -3.821 253 HD3 PRO 508 HD1 PRO 508 -3.528 -0.050 -3.915 254 H ARG 509 HN ARG 509 -6.377 -2.553 -4.746 255 HA ARG 509 HA ARG 509 -7.463 -4.650 -3.115 256 HB2 ARG 509 HB2 ARG 509 -8.874 -2.506 -4.705 257 HB3 ARG 509 HB1 ARG 509 -9.545 -3.496 -3.402 258 HG2 ARG 509 HG2 ARG 509 -7.790 -2.530 -1.869 259 HG3 ARG 509 HG1 ARG 509 -7.376 -1.424 -3.187 260 HD2 ARG 509 HD2 ARG 509 -10.127 -1.618 -1.981 261 HD3 ARG 509 HD1 ARG 509 -8.919 -0.408 -1.544 262 HE ARG 509 HE ARG 509 -9.050 -0.064 -4.186 263 HH11 ARG 509 HH11 ARG 509 -11.602 -0.387 -1.787 264 HH12 ARG 509 HH12 ARG 509 -12.731 0.585 -2.682 265 HH21 ARG 509 HH21 ARG 509 -10.541 1.211 -5.344 266 HH22 ARG 509 HH22 ARG 509 -12.133 1.485 -4.702 267 H LEU 510 HN LEU 510 -6.191 -3.935 -5.994 268 HA LEU 510 HA LEU 510 -7.702 -5.483 -7.687 269 HB2 LEU 510 HB2 LEU 510 -5.997 -5.381 -9.295 270 HB3 LEU 510 HB1 LEU 510 -5.861 -3.893 -8.390 271 HG LEU 510 HG LEU 510 -4.009 -5.170 -7.049 272 HD11 LEU 510 HD11 LEU 510 -4.405 -7.379 -8.025 273 HD12 LEU 510 HD12 LEU 510 -2.779 -6.801 -8.392 274 HD13 LEU 510 HD13 LEU 510 -4.035 -6.740 -9.627 275 HD21 LEU 510 HD21 LEU 510 -3.569 -4.268 -9.892 276 HD22 LEU 510 HD22 LEU 510 -2.326 -4.424 -8.651 277 HD23 LEU 510 HD23 LEU 510 -3.608 -3.227 -8.469 278 H LYS 511 HN LYS 511 -5.359 -6.289 -5.279 279 HA LYS 511 HA LYS 511 -4.883 -8.967 -6.172 280 HB2 LYS 511 HB2 LYS 511 -3.590 -9.311 -4.107 281 HB3 LYS 511 HB1 LYS 511 -3.054 -7.937 -5.051 282 HG2 LYS 511 HG2 LYS 511 -2.958 -6.984 -3.030 283 HG3 LYS 511 HG1 LYS 511 -4.660 -6.676 -3.344 284 HD2 LYS 511 HD2 LYS 511 -4.374 -7.513 -1.101 285 HD3 LYS 511 HD1 LYS 511 -5.245 -8.694 -2.077 286 HE2 LYS 511 HE2 LYS 511 -3.491 -9.692 -0.604 287 HE3 LYS 511 HE1 LYS 511 -3.292 -10.062 -2.312 288 HZ1 LYS 511 HZ1 LYS 511 -1.783 -7.936 -0.867 289 HZ2 LYS 511 HZ2 LYS 511 -1.539 -8.452 -2.464 290 HZ3 LYS 511 HZ3 LYS 511 -1.202 -9.492 -1.178 291 H PHE 512 HN PHE 512 -7.458 -7.598 -4.717 292 HA PHE 512 HA PHE 512 -8.315 -9.049 -2.735 293 HB2 PHE 512 HB2 PHE 512 -9.681 -7.651 -4.792 294 HB3 PHE 512 HB1 PHE 512 -10.675 -8.810 -3.913 295 HD1 PHE 512 HD2 PHE 512 -8.036 -6.236 -3.024 296 HD2 PHE 512 HD1 PHE 512 -11.916 -7.920 -2.268 297 HE1 PHE 512 HE2 PHE 512 -8.407 -4.667 -1.187 298 HE2 PHE 512 HE1 PHE 512 -12.260 -6.320 -0.435 299 HZ PHE 512 HZ PHE 512 -10.504 -4.687 0.109 300 HA PRO 513 HA PRO 513 -9.847 -12.706 -5.746 301 HB2 PRO 513 HB2 PRO 513 -7.091 -12.358 -6.890 302 HB3 PRO 513 HB1 PRO 513 -8.548 -13.026 -7.650 303 HG2 PRO 513 HG2 PRO 513 -7.873 -10.512 -8.153 304 HG3 PRO 513 HG1 PRO 513 -9.574 -10.912 -7.821 305 HD2 PRO 513 HD2 PRO 513 -7.549 -9.656 -5.976 306 HD3 PRO 513 HD1 PRO 513 -9.253 -9.289 -6.078 307 H VAL 514 HN VAL 514 -7.330 -11.930 -3.595 308 HA VAL 514 HA VAL 514 -5.851 -14.100 -3.079 309 HB VAL 514 HB VAL 514 -5.764 -13.531 -0.705 310 HG11 VAL 514 HG11 VAL 514 -5.238 -11.090 -0.866 311 HG12 VAL 514 HG12 VAL 514 -5.828 -11.142 -2.529 312 HG13 VAL 514 HG13 VAL 514 -4.428 -12.107 -2.063 313 HG21 VAL 514 HG21 VAL 514 -7.215 -11.784 0.209 314 HG22 VAL 514 HG22 VAL 514 -8.132 -13.195 -0.319 315 HG23 VAL 514 HG23 VAL 514 -8.105 -11.738 -1.313 316 H HIS 515 HN HIS 515 -9.009 -14.272 -3.103 317 HA HIS 515 HA HIS 515 -9.075 -16.774 -1.566 318 HB2 HIS 515 HB2 HIS 515 -11.299 -14.729 -1.770 319 HB3 HIS 515 HB1 HIS 515 -11.486 -16.332 -1.071 320 HD1 HIS 515 HD1 HIS 515 -11.145 -13.032 -0.010 321 HD2 HIS 515 HD2 HIS 515 -9.268 -16.576 1.099 322 HE1 HIS 515 HE1 HIS 515 -10.200 -12.615 2.287 323 HE2 HIS 515 HE2 HIS 515 -8.877 -14.689 2.832 324 H1 ALA 202 HT1 ALA 202 12.020 0.726 10.335 325 H2 ALA 202 HT2 ALA 202 12.782 1.028 8.852 326 H3 ALA 202 HT3 ALA 202 12.214 -0.530 9.211 327 HA ALA 202 HA ALA 202 10.495 1.861 8.936 328 HB1 ALA 202 HB1 ALA 202 9.828 0.987 6.777 329 HB2 ALA 202 HB2 ALA 202 10.927 -0.380 6.964 330 HB3 ALA 202 HB3 ALA 202 11.571 1.254 6.804 331 H GLY 203 HN GLY 203 8.617 1.587 9.906 332 HA2 GLY 203 HA2 GLY 203 7.650 -1.170 10.381 333 HA3 GLY 203 HA1 GLY 203 7.197 0.237 11.340 334 H SEP 204 HN SEP 204 6.189 2.041 9.966 335 HA SEP 204 HA SEP 204 4.106 0.883 8.292 336 HB2 SEP 204 HB2 SEP 204 3.412 3.421 8.333 337 HB3 SEP 204 HB1 SEP 204 3.123 2.386 9.730 338 HA PRO 205 HA PRO 205 5.843 1.886 4.389 339 HB2 PRO 205 HB2 PRO 205 3.402 2.751 3.264 340 HB3 PRO 205 HB1 PRO 205 4.082 1.135 3.203 341 HG2 PRO 205 HG2 PRO 205 1.918 2.160 4.898 342 HG3 PRO 205 HG1 PRO 205 2.281 0.513 4.387 343 HD2 PRO 205 HD2 PRO 205 2.699 1.470 6.903 344 HD3 PRO 205 HD1 PRO 205 3.583 0.107 6.184 345 H ASN 206 HN ASN 206 7.060 3.813 4.963 346 HA ASN 206 HA ASN 206 5.765 6.163 3.744 347 HB2 ASN 206 HB2 ASN 206 6.554 6.404 6.139 348 HB3 ASN 206 HB1 ASN 206 8.194 6.338 5.522 349 HD21 ASN 206 HD21 ASN 206 7.217 7.896 3.066 350 HD22 ASN 206 HD22 ASN 206 7.103 9.525 3.641 351 H LEU 207 HN LEU 207 8.104 3.764 3.419 352 HA LEU 207 HA LEU 207 10.000 5.163 1.862 353 HB2 LEU 207 HB2 LEU 207 10.779 2.953 1.111 354 HB3 LEU 207 HB1 LEU 207 10.630 3.061 2.852 355 HG LEU 207 HG LEU 207 8.463 1.805 1.178 356 HD11 LEU 207 HD11 LEU 207 10.891 0.444 2.346 357 HD12 LEU 207 HD12 LEU 207 10.555 0.672 0.629 358 HD13 LEU 207 HD13 LEU 207 9.510 -0.362 1.602 359 HD21 LEU 207 HD21 LEU 207 7.913 2.359 3.494 360 HD22 LEU 207 HD22 LEU 207 9.318 1.452 4.052 361 HD23 LEU 207 HD23 LEU 207 7.983 0.612 3.261 362 H SEP 208 HN SEP 208 9.179 6.347 0.236 363 HA SEP 208 HA SEP 208 7.212 5.432 -1.591 364 HB2 SEP 208 HB2 SEP 208 9.246 7.618 -2.085 365 HB3 SEP 208 HB1 SEP 208 7.657 7.451 -2.819 366 HA PRO 209 HA PRO 209 10.098 3.064 -4.145 367 HB2 PRO 209 HB2 PRO 209 7.846 2.501 -5.865 368 HB3 PRO 209 HB1 PRO 209 8.759 1.386 -4.848 369 HG2 PRO 209 HG2 PRO 209 6.155 2.145 -4.399 370 HG3 PRO 209 HG1 PRO 209 7.248 1.506 -3.174 371 HD2 PRO 209 HD2 PRO 209 6.376 4.288 -3.667 372 HD3 PRO 209 HD1 PRO 209 6.802 3.506 -2.126 373 H ASN 210 HN ASN 210 11.296 4.047 -5.656 374 HA ASN 210 HA ASN 210 10.186 6.195 -7.259 375 HB2 ASN 210 HB2 ASN 210 12.965 5.018 -7.048 376 HB3 ASN 210 HB1 ASN 210 12.550 6.268 -8.213 377 HD21 ASN 210 HD21 ASN 210 13.983 7.720 -7.317 378 HD22 ASN 210 HD22 ASN 210 13.693 8.502 -5.802 379 HA PRO 211 HA PRO 211 9.186 3.136 -10.366 380 HB2 PRO 211 HB2 PRO 211 7.795 5.220 -11.799 381 HB3 PRO 211 HB1 PRO 211 7.113 3.883 -10.871 382 HG2 PRO 211 HG2 PRO 211 6.922 6.516 -10.130 383 HG3 PRO 211 HG1 PRO 211 6.847 5.157 -8.995 384 HD2 PRO 211 HD2 PRO 211 9.148 6.961 -9.646 385 HD3 PRO 211 HD1 PRO 211 8.632 6.312 -8.073 Start of MODEL 15 1 H GLN 476 HT1 GLN 476 -6.517 -3.211 4.762 2 HA GLN 476 HA GLN 476 -6.996 -0.995 6.666 3 HB2 GLN 476 HB2 GLN 476 -6.883 -0.907 3.653 4 HB3 GLN 476 HB1 GLN 476 -7.433 0.403 4.688 5 HG2 GLN 476 HG2 GLN 476 -4.660 -0.756 4.618 6 HG3 GLN 476 HG1 GLN 476 -5.167 0.772 3.904 7 HE21 GLN 476 HE21 GLN 476 -4.243 -0.870 6.779 8 HE22 GLN 476 HE22 GLN 476 -4.244 0.510 7.826 9 H SER 477 HN SER 477 -9.091 0.092 5.601 10 HA SER 477 HA SER 477 -11.092 -2.043 5.630 11 HB2 SER 477 HB2 SER 477 -11.565 0.929 5.899 12 HB3 SER 477 HB1 SER 477 -12.670 -0.379 6.327 13 HG SER 477 HG SER 477 -11.161 -1.019 7.938 14 H PHE 478 HN PHE 478 -9.709 0.290 3.490 15 HA PHE 478 HA PHE 478 -11.902 0.488 1.548 16 HB2 PHE 478 HB2 PHE 478 -9.153 0.482 0.462 17 HB3 PHE 478 HB1 PHE 478 -10.378 1.728 0.275 18 HD1 PHE 478 HD1 PHE 478 -10.643 2.593 3.199 19 HD2 PHE 478 HD2 PHE 478 -7.289 1.559 0.759 20 HE1 PHE 478 HE1 PHE 478 -9.081 3.660 4.793 21 HE2 PHE 478 HE2 PHE 478 -5.823 2.624 2.289 22 HZ PHE 478 HZ PHE 478 -6.665 3.570 4.283 23 H LEU 479 HN LEU 479 -9.500 -1.619 2.662 24 HA LEU 479 HA LEU 479 -8.402 -2.169 0.026 25 HB2 LEU 479 HB2 LEU 479 -7.629 -0.030 1.048 26 HB3 LEU 479 HB1 LEU 479 -6.937 -0.849 2.421 27 HG LEU 479 HG LEU 479 -5.600 -2.055 0.355 28 HD11 LEU 479 HD11 LEU 479 -7.005 -0.464 -1.125 29 HD12 LEU 479 HD12 LEU 479 -5.277 -0.620 -1.432 30 HD13 LEU 479 HD13 LEU 479 -5.888 0.777 -0.540 31 HD21 LEU 479 HD21 LEU 479 -4.901 0.663 1.464 32 HD22 LEU 479 HD22 LEU 479 -3.785 -0.538 0.796 33 HD23 LEU 479 HD23 LEU 479 -4.633 -0.860 2.312 34 HA PRO 480 HA PRO 480 -8.191 -6.260 1.334 35 HB2 PRO 480 HB2 PRO 480 -5.483 -6.653 0.427 36 HB3 PRO 480 HB1 PRO 480 -6.848 -7.269 -0.245 37 HG2 PRO 480 HG2 PRO 480 -5.404 -5.345 -1.430 38 HG3 PRO 480 HG1 PRO 480 -7.119 -5.628 -1.759 39 HD2 PRO 480 HD2 PRO 480 -5.826 -3.462 -0.264 40 HD3 PRO 480 HD1 PRO 480 -7.422 -3.512 -1.030 41 HA PRO 481 HA PRO 481 -5.923 -6.981 5.123 42 HB2 PRO 481 HB2 PRO 481 -5.455 -9.787 4.465 43 HB3 PRO 481 HB1 PRO 481 -6.544 -9.090 5.666 44 HG2 PRO 481 HG2 PRO 481 -7.446 -10.314 3.436 45 HG3 PRO 481 HG1 PRO 481 -8.299 -8.953 4.187 46 HD2 PRO 481 HD2 PRO 481 -6.474 -8.964 1.809 47 HD3 PRO 481 HD1 PRO 481 -8.029 -8.132 2.029 48 H GLY 482 HN GLY 482 -4.215 -6.293 2.731 49 HA2 GLY 482 HA2 GLY 482 -1.693 -7.592 3.586 50 HA3 GLY 482 HA1 GLY 482 -2.007 -7.077 1.900 51 H TRP 483 HN TRP 483 -3.336 -4.875 4.175 52 HA TRP 483 HA TRP 483 -1.448 -3.252 2.660 53 HB2 TRP 483 HB2 TRP 483 -4.437 -3.114 2.544 54 HB3 TRP 483 HB1 TRP 483 -3.319 -2.020 1.711 55 HD1 TRP 483 HD1 TRP 483 -4.817 -5.417 1.438 56 HE1 TRP 483 HE1 TRP 483 -3.814 -6.651 -0.592 57 HE3 TRP 483 HE3 TRP 483 -1.126 -2.226 0.259 58 HZ2 TRP 483 HZ2 TRP 483 -1.960 -6.353 -2.321 59 HZ3 TRP 483 HZ3 TRP 483 0.267 -2.829 -1.601 60 HH2 TRP 483 HH2 TRP 483 -0.109 -4.811 -2.949 61 H GLU 484 HN GLU 484 -0.764 -1.593 3.286 62 HA GLU 484 HA GLU 484 -1.923 -0.186 5.622 63 HB2 GLU 484 HB2 GLU 484 0.529 -1.184 5.679 64 HB3 GLU 484 HB1 GLU 484 0.907 0.185 4.675 65 HG2 GLU 484 HG2 GLU 484 1.057 0.133 7.348 66 HG3 GLU 484 HG1 GLU 484 0.863 1.599 6.378 67 H MET 485 HN MET 485 -3.066 1.521 4.834 68 HA MET 485 HA MET 485 -2.126 2.876 2.444 69 HB2 MET 485 HB2 MET 485 -4.566 2.504 2.830 70 HB3 MET 485 HB1 MET 485 -4.469 3.620 4.183 71 HG2 MET 485 HG2 MET 485 -3.612 4.437 1.429 72 HG3 MET 485 HG1 MET 485 -5.303 4.498 1.916 73 HE1 MET 485 HE1 MET 485 -5.160 7.072 4.891 74 HE2 MET 485 HE2 MET 485 -4.992 5.320 5.015 75 HE3 MET 485 HE3 MET 485 -6.196 6.016 3.931 76 H ARG 486 HN ARG 486 -0.321 3.949 2.956 77 HA ARG 486 HA ARG 486 -0.514 5.825 5.206 78 HB2 ARG 486 HB2 ARG 486 1.946 4.584 3.970 79 HB3 ARG 486 HB1 ARG 486 1.971 5.805 5.230 80 HG2 ARG 486 HG2 ARG 486 0.672 3.106 5.501 81 HG3 ARG 486 HG1 ARG 486 2.316 3.479 6.021 82 HD2 ARG 486 HD2 ARG 486 -0.116 4.963 6.990 83 HD3 ARG 486 HD1 ARG 486 0.562 3.564 7.823 84 HE ARG 486 HE ARG 486 2.704 5.052 7.765 85 HH11 ARG 486 HH11 ARG 486 -0.582 6.106 8.289 86 HH12 ARG 486 HH12 ARG 486 -0.136 7.441 9.303 87 HH21 ARG 486 HH21 ARG 486 3.321 6.768 9.092 88 HH22 ARG 486 HH22 ARG 486 2.106 7.821 9.772 89 H ILE 487 HN ILE 487 -1.079 7.699 4.459 90 HA ILE 487 HA ILE 487 -0.051 8.719 1.931 91 HB ILE 487 HB ILE 487 -2.283 9.159 2.147 92 HG12 ILE 487 HG12 ILE 487 -0.626 11.601 2.874 93 HG13 ILE 487 HG11 ILE 487 -1.173 11.071 1.290 94 HG21 ILE 487 HG21 ILE 487 -3.305 10.200 4.135 95 HG22 ILE 487 HG22 ILE 487 -1.753 10.062 4.965 96 HG23 ILE 487 HG23 ILE 487 -2.603 8.607 4.430 97 HD11 ILE 487 HD11 ILE 487 -3.470 11.594 1.868 98 HD12 ILE 487 HD12 ILE 487 -2.424 13.001 2.055 99 HD13 ILE 487 HD13 ILE 487 -2.958 12.103 3.477 100 H ALA 488 HN ALA 488 1.713 9.657 1.804 101 HA ALA 488 HA ALA 488 3.200 10.012 4.228 102 HB1 ALA 488 HB1 ALA 488 4.101 10.137 1.362 103 HB2 ALA 488 HB2 ALA 488 4.142 8.712 2.396 104 HB3 ALA 488 HB3 ALA 488 5.148 10.109 2.780 105 HA PRO 489 HA PRO 489 3.022 14.424 4.450 106 HB2 PRO 489 HB2 PRO 489 5.989 14.425 4.648 107 HB3 PRO 489 HB1 PRO 489 4.786 15.131 5.730 108 HG2 PRO 489 HG2 PRO 489 6.059 12.892 6.392 109 HG3 PRO 489 HG1 PRO 489 4.342 13.111 6.776 110 HD2 PRO 489 HD2 PRO 489 5.612 11.476 4.625 111 HD3 PRO 489 HD1 PRO 489 4.164 11.139 5.597 112 H ASN 490 HN ASN 490 4.529 12.920 1.820 113 HA ASN 490 HA ASN 490 5.230 15.492 0.580 114 HB2 ASN 490 HB2 ASN 490 6.356 14.135 -1.147 115 HB3 ASN 490 HB1 ASN 490 6.970 13.772 0.462 116 HD21 ASN 490 HD21 ASN 490 7.292 12.034 -1.711 117 HD22 ASN 490 HD22 ASN 490 6.384 10.608 -1.373 118 H GLY 491 HN GLY 491 2.773 13.175 0.772 119 HA2 GLY 491 HA2 GLY 491 0.651 13.658 -0.274 120 HA3 GLY 491 HA1 GLY 491 1.526 14.282 -1.670 121 H ARG 492 HN ARG 492 2.334 11.366 0.056 122 HA ARG 492 HA ARG 492 1.634 9.795 -2.334 123 HB2 ARG 492 HB2 ARG 492 4.057 9.688 -0.561 124 HB3 ARG 492 HB1 ARG 492 3.629 8.373 -1.618 125 HG2 ARG 492 HG2 ARG 492 4.009 11.122 -2.589 126 HG3 ARG 492 HG1 ARG 492 5.361 10.038 -2.431 127 HD2 ARG 492 HD2 ARG 492 3.802 8.529 -3.936 128 HD3 ARG 492 HD1 ARG 492 3.110 10.094 -4.375 129 HE ARG 492 HE ARG 492 5.934 10.235 -4.498 130 HH11 ARG 492 HH11 ARG 492 3.266 8.726 -6.205 131 HH12 ARG 492 HH12 ARG 492 4.078 8.721 -7.742 132 HH21 ARG 492 HH21 ARG 492 6.986 10.274 -6.520 133 HH22 ARG 492 HH22 ARG 492 6.183 9.633 -7.921 134 HA PRO 493 HA PRO 493 -0.183 7.160 0.878 135 HB2 PRO 493 HB2 PRO 493 -2.427 6.869 -0.914 136 HB3 PRO 493 HB1 PRO 493 -2.408 7.562 0.713 137 HG2 PRO 493 HG2 PRO 493 -2.859 9.089 -1.442 138 HG3 PRO 493 HG1 PRO 493 -1.967 9.701 -0.054 139 HD2 PRO 493 HD2 PRO 493 -0.858 8.537 -2.614 140 HD3 PRO 493 HD1 PRO 493 -0.466 10.099 -1.842 141 H PHE 494 HN PHE 494 1.165 5.600 0.653 142 HA PHE 494 HA PHE 494 1.407 4.218 -1.892 143 HB2 PHE 494 HB2 PHE 494 2.664 3.133 0.552 144 HB3 PHE 494 HB1 PHE 494 3.358 3.349 -1.021 145 HD1 PHE 494 HD2 PHE 494 2.566 5.002 2.133 146 HD2 PHE 494 HD1 PHE 494 4.858 5.252 -1.429 147 HE1 PHE 494 HE2 PHE 494 3.951 6.627 3.190 148 HE2 PHE 494 HE1 PHE 494 6.295 6.917 -0.343 149 HZ PHE 494 HZ PHE 494 5.849 7.613 1.986 150 H PHE 495 HN PHE 495 0.064 2.424 -2.144 151 HA PHE 495 HA PHE 495 -1.311 1.420 0.226 152 HB2 PHE 495 HB2 PHE 495 -1.467 0.560 -2.694 153 HB3 PHE 495 HB1 PHE 495 -2.483 -0.057 -1.400 154 HD1 PHE 495 HD1 PHE 495 -3.879 1.715 -0.110 155 HD2 PHE 495 HD2 PHE 495 -2.213 2.330 -3.979 156 HE1 PHE 495 HE1 PHE 495 -5.496 3.523 -0.516 157 HE2 PHE 495 HE2 PHE 495 -3.825 4.138 -4.389 158 HZ PHE 495 HZ PHE 495 -5.471 4.736 -2.655 159 H TYR 496 HN TYR 496 0.140 0.056 1.412 160 HA TYR 496 HA TYR 496 2.068 -1.501 -0.182 161 HB2 TYR 496 HB2 TYR 496 3.481 -0.281 1.043 162 HB3 TYR 496 HB1 TYR 496 2.326 0.054 2.321 163 HD1 TYR 496 HD2 TYR 496 2.122 -1.544 4.217 164 HD2 TYR 496 HD1 TYR 496 5.045 -2.141 1.173 165 HE1 TYR 496 HE2 TYR 496 3.318 -3.119 5.674 166 HE2 TYR 496 HE1 TYR 496 6.243 -3.705 2.634 167 HH TYR 496 HH TYR 496 6.461 -4.182 5.055 168 H ASP 497 HN ASP 497 2.218 -3.617 -0.103 169 HA ASP 497 HA ASP 497 0.172 -5.164 1.366 170 HB2 ASP 497 HB2 ASP 497 0.550 -5.714 -0.982 171 HB3 ASP 497 HB1 ASP 497 2.275 -5.940 -0.715 172 H HIS 498 HN HIS 498 0.792 -6.537 3.114 173 HA HIS 498 HA HIS 498 3.552 -6.296 4.066 174 HB2 HIS 498 HB2 HIS 498 1.236 -7.641 5.481 175 HB3 HIS 498 HB1 HIS 498 2.787 -7.211 6.179 176 HD1 HIS 498 HD1 HIS 498 1.090 -4.683 4.060 177 HD2 HIS 498 HD2 HIS 498 1.435 -5.569 8.093 178 HE1 HIS 498 HE1 HIS 498 -0.140 -2.895 5.218 179 HE2 HIS 498 HE2 HIS 498 0.305 -3.274 7.688 180 H ASN 499 HN ASN 499 1.620 -8.441 2.303 181 HA ASN 499 HA ASN 499 2.913 -10.873 3.128 182 HB2 ASN 499 HB2 ASN 499 1.111 -10.152 0.828 183 HB3 ASN 499 HB1 ASN 499 1.944 -11.699 0.855 184 HD21 ASN 499 HD21 ASN 499 0.763 -10.095 3.739 185 HD22 ASN 499 HD22 ASN 499 -0.493 -11.232 4.079 186 H THR 500 HN THR 500 3.063 -8.884 0.191 187 HA THR 500 HA THR 500 5.572 -10.125 -0.587 188 HB THR 500 HB THR 500 4.329 -7.750 -1.952 189 HG1 THR 500 HG1 THR 500 2.631 -9.246 -1.667 190 HG21 THR 500 HG21 THR 500 5.834 -10.157 -2.986 191 HG22 THR 500 HG22 THR 500 6.508 -8.546 -2.748 192 HG23 THR 500 HG23 THR 500 5.251 -8.805 -3.959 193 H LYS 501 HN LYS 501 4.567 -7.564 1.343 194 HA LYS 501 HA LYS 501 5.537 -5.762 2.317 195 HB2 LYS 501 HB2 LYS 501 8.079 -7.208 1.578 196 HB3 LYS 501 HB1 LYS 501 7.990 -5.833 2.666 197 HG2 LYS 501 HG2 LYS 501 6.537 -7.138 4.163 198 HG3 LYS 501 HG1 LYS 501 6.715 -8.529 3.090 199 HD2 LYS 501 HD2 LYS 501 8.989 -7.114 4.477 200 HD3 LYS 501 HD1 LYS 501 8.232 -8.601 5.048 201 HE2 LYS 501 HE2 LYS 501 8.909 -9.760 3.034 202 HE3 LYS 501 HE1 LYS 501 9.574 -8.270 2.365 203 HZ1 LYS 501 HZ1 LYS 501 10.537 -9.565 4.856 204 HZ2 LYS 501 HZ2 LYS 501 11.228 -8.229 4.075 205 HZ3 LYS 501 HZ3 LYS 501 11.264 -9.756 3.337 206 H THR 502 HN THR 502 4.748 -5.494 -0.324 207 HA THR 502 HA THR 502 6.857 -3.862 -1.555 208 HB THR 502 HB THR 502 6.157 -5.639 -3.024 209 HG1 THR 502 HG1 THR 502 6.441 -3.445 -3.915 210 HG21 THR 502 HG21 THR 502 3.343 -4.595 -2.680 211 HG22 THR 502 HG22 THR 502 3.971 -6.123 -2.062 212 HG23 THR 502 HG23 THR 502 3.838 -5.865 -3.801 213 H THR 503 HN THR 503 6.602 -1.740 -1.718 214 HA THR 503 HA THR 503 4.072 -0.503 -0.990 215 HB THR 503 HB THR 503 5.461 1.627 -1.450 216 HG1 THR 503 HG1 THR 503 7.739 1.259 -1.380 217 HG21 THR 503 HG21 THR 503 6.069 -0.302 0.775 218 HG22 THR 503 HG22 THR 503 5.042 1.135 0.806 219 HG23 THR 503 HG23 THR 503 6.791 1.304 0.708 220 H THR 504 HN THR 504 2.699 0.446 -2.494 221 HA THR 504 HA THR 504 3.676 0.800 -5.221 222 HB THR 504 HB THR 504 2.717 -1.548 -4.935 223 HG1 THR 504 HG1 THR 504 2.214 -1.433 -7.012 224 HG21 THR 504 HG21 THR 504 0.791 -0.992 -3.550 225 HG22 THR 504 HG22 THR 504 0.288 -1.762 -5.055 226 HG23 THR 504 HG23 THR 504 0.125 -0.016 -4.859 227 H TRP 505 HN TRP 505 2.450 2.317 -6.432 228 HA TRP 505 HA TRP 505 0.454 3.786 -4.865 229 HB2 TRP 505 HB2 TRP 505 1.202 4.602 -7.639 230 HB3 TRP 505 HB1 TRP 505 0.773 5.603 -6.261 231 HD1 TRP 505 HD1 TRP 505 3.672 4.266 -8.163 232 HE1 TRP 505 HE1 TRP 505 5.879 5.048 -7.109 233 HE3 TRP 505 HE3 TRP 505 1.894 6.138 -3.685 234 HZ2 TRP 505 HZ2 TRP 505 6.747 6.279 -4.753 235 HZ3 TRP 505 HZ3 TRP 505 3.490 7.082 -2.139 236 HH2 TRP 505 HH2 TRP 505 5.865 7.172 -2.644 237 H GLU 506 HN GLU 506 0.582 1.174 -6.746 238 HA GLU 506 HA GLU 506 -1.683 1.641 -8.481 239 HB2 GLU 506 HB2 GLU 506 -0.168 -0.912 -7.896 240 HB3 GLU 506 HB1 GLU 506 -1.316 -0.665 -9.206 241 HG2 GLU 506 HG2 GLU 506 0.169 1.056 -10.150 242 HG3 GLU 506 HG1 GLU 506 1.329 0.728 -8.865 243 H ASP 507 HN ASP 507 -3.650 0.476 -8.362 244 HA ASP 507 HA ASP 507 -4.654 0.413 -5.698 245 HB2 ASP 507 HB2 ASP 507 -5.892 1.185 -7.735 246 HB3 ASP 507 HB1 ASP 507 -6.073 -0.509 -8.194 247 HA PRO 508 HA PRO 508 -3.567 -3.856 -4.947 248 HB2 PRO 508 HB2 PRO 508 -4.329 -3.487 -2.268 249 HB3 PRO 508 HB1 PRO 508 -2.702 -3.383 -2.938 250 HG2 PRO 508 HG2 PRO 508 -4.154 -1.281 -1.878 251 HG3 PRO 508 HG1 PRO 508 -2.736 -1.151 -2.915 252 HD2 PRO 508 HD2 PRO 508 -5.598 -0.836 -3.578 253 HD3 PRO 508 HD1 PRO 508 -4.179 0.009 -4.234 254 H ARG 509 HN ARG 509 -6.564 -2.591 -5.019 255 HA ARG 509 HA ARG 509 -7.790 -4.611 -3.384 256 HB2 ARG 509 HB2 ARG 509 -9.071 -2.396 -4.993 257 HB3 ARG 509 HB1 ARG 509 -9.785 -3.307 -3.655 258 HG2 ARG 509 HG2 ARG 509 -8.011 -2.424 -2.152 259 HG3 ARG 509 HG1 ARG 509 -7.411 -1.468 -3.499 260 HD2 ARG 509 HD2 ARG 509 -10.268 -1.157 -2.704 261 HD3 ARG 509 HD1 ARG 509 -9.004 -0.349 -1.778 262 HE ARG 509 HE ARG 509 -8.728 0.046 -4.602 263 HH11 ARG 509 HH11 ARG 509 -10.566 1.174 -1.837 264 HH12 ARG 509 HH12 ARG 509 -10.618 2.821 -2.395 265 HH21 ARG 509 HH21 ARG 509 -8.810 2.156 -5.336 266 HH22 ARG 509 HH22 ARG 509 -9.613 3.385 -4.394 267 H LEU 510 HN LEU 510 -6.475 -3.998 -6.248 268 HA LEU 510 HA LEU 510 -8.058 -5.481 -7.937 269 HB2 LEU 510 HB2 LEU 510 -6.345 -5.440 -9.550 270 HB3 LEU 510 HB1 LEU 510 -6.183 -3.949 -8.652 271 HG LEU 510 HG LEU 510 -4.363 -5.242 -7.296 272 HD11 LEU 510 HD11 LEU 510 -4.801 -7.462 -8.218 273 HD12 LEU 510 HD12 LEU 510 -3.162 -6.930 -8.591 274 HD13 LEU 510 HD13 LEU 510 -4.412 -6.873 -9.834 275 HD21 LEU 510 HD21 LEU 510 -3.870 -4.428 -10.156 276 HD22 LEU 510 HD22 LEU 510 -2.654 -4.564 -8.884 277 HD23 LEU 510 HD23 LEU 510 -3.920 -3.343 -8.765 278 H LYS 511 HN LYS 511 -5.781 -6.353 -5.522 279 HA LYS 511 HA LYS 511 -5.139 -8.963 -6.515 280 HB2 LYS 511 HB2 LYS 511 -3.755 -9.274 -4.554 281 HB3 LYS 511 HB1 LYS 511 -3.426 -7.736 -5.322 282 HG2 LYS 511 HG2 LYS 511 -3.364 -7.170 -3.114 283 HG3 LYS 511 HG1 LYS 511 -5.036 -6.793 -3.513 284 HD2 LYS 511 HD2 LYS 511 -5.181 -7.901 -1.485 285 HD3 LYS 511 HD1 LYS 511 -5.571 -9.148 -2.658 286 HE2 LYS 511 HE2 LYS 511 -2.993 -8.727 -1.140 287 HE3 LYS 511 HE1 LYS 511 -4.080 -10.105 -1.044 288 HZ1 LYS 511 HZ1 LYS 511 -1.992 -10.510 -2.293 289 HZ2 LYS 511 HZ2 LYS 511 -2.503 -9.408 -3.469 290 HZ3 LYS 511 HZ3 LYS 511 -3.390 -10.829 -3.199 291 H PHE 512 HN PHE 512 -7.813 -7.862 -5.069 292 HA PHE 512 HA PHE 512 -8.422 -9.266 -2.978 293 HB2 PHE 512 HB2 PHE 512 -10.052 -8.116 -5.012 294 HB3 PHE 512 HB1 PHE 512 -10.871 -9.235 -3.926 295 HD1 PHE 512 HD1 PHE 512 -8.208 -6.615 -3.419 296 HD2 PHE 512 HD2 PHE 512 -12.098 -8.100 -2.397 297 HE1 PHE 512 HE1 PHE 512 -8.453 -4.891 -1.727 298 HE2 PHE 512 HE2 PHE 512 -12.330 -6.333 -0.704 299 HZ PHE 512 HZ PHE 512 -10.505 -4.715 -0.367 300 HA PRO 513 HA PRO 513 -10.110 -13.116 -5.584 301 HB2 PRO 513 HB2 PRO 513 -7.484 -12.974 -7.019 302 HB3 PRO 513 HB1 PRO 513 -9.051 -13.565 -7.592 303 HG2 PRO 513 HG2 PRO 513 -8.199 -11.132 -8.287 304 HG3 PRO 513 HG1 PRO 513 -9.905 -11.409 -7.884 305 HD2 PRO 513 HD2 PRO 513 -7.772 -10.107 -6.207 306 HD3 PRO 513 HD1 PRO 513 -9.480 -9.740 -6.242 307 H VAL 514 HN VAL 514 -7.272 -12.227 -3.873 308 HA VAL 514 HA VAL 514 -6.237 -14.749 -3.278 309 HB VAL 514 HB VAL 514 -4.940 -12.774 -2.865 310 HG11 VAL 514 HG11 VAL 514 -6.929 -12.159 -0.683 311 HG12 VAL 514 HG12 VAL 514 -6.720 -11.264 -2.187 312 HG13 VAL 514 HG13 VAL 514 -5.434 -11.270 -0.979 313 HG21 VAL 514 HG21 VAL 514 -4.069 -13.262 -0.617 314 HG22 VAL 514 HG22 VAL 514 -4.314 -14.716 -1.581 315 HG23 VAL 514 HG23 VAL 514 -5.471 -14.290 -0.323 316 H HIS 515 HN HIS 515 -9.034 -13.485 -2.551 317 HA HIS 515 HA HIS 515 -10.827 -14.001 -1.226 318 HB2 HIS 515 HB2 HIS 515 -11.234 -16.505 -1.056 319 HB3 HIS 515 HB1 HIS 515 -10.984 -15.869 -2.676 320 HD1 HIS 515 HD1 HIS 515 -8.591 -16.353 -3.749 321 HD2 HIS 515 HD2 HIS 515 -9.479 -18.500 -0.299 322 HE1 HIS 515 HE1 HIS 515 -6.786 -18.079 -3.558 323 HE2 HIS 515 HE2 HIS 515 -7.310 -19.351 -1.432 324 H1 ALA 202 HT1 ALA 202 11.469 2.959 9.664 325 H2 ALA 202 HT2 ALA 202 11.306 2.506 11.289 326 H3 ALA 202 HT3 ALA 202 11.344 4.146 10.873 327 HA ALA 202 HA ALA 202 9.107 3.502 11.366 328 HB1 ALA 202 HB1 ALA 202 8.042 4.200 9.288 329 HB2 ALA 202 HB2 ALA 202 9.534 3.888 8.404 330 HB3 ALA 202 HB3 ALA 202 9.477 5.170 9.614 331 H GLY 203 HN GLY 203 7.753 1.848 11.608 332 HA2 GLY 203 HA2 GLY 203 8.277 -0.648 10.204 333 HA3 GLY 203 HA1 GLY 203 7.116 -0.400 11.504 334 H SEP 204 HN SEP 204 6.111 2.017 10.065 335 HA SEP 204 HA SEP 204 4.259 0.673 8.287 336 HB2 SEP 204 HB2 SEP 204 3.741 3.439 8.308 337 HB3 SEP 204 HB1 SEP 204 2.889 2.190 9.219 338 HA PRO 205 HA PRO 205 6.345 1.590 4.521 339 HB2 PRO 205 HB2 PRO 205 4.154 2.171 2.940 340 HB3 PRO 205 HB1 PRO 205 4.713 0.547 3.332 341 HG2 PRO 205 HG2 PRO 205 2.517 2.124 4.599 342 HG3 PRO 205 HG1 PRO 205 2.567 0.411 4.156 343 HD2 PRO 205 HD2 PRO 205 2.910 1.187 6.677 344 HD3 PRO 205 HD1 PRO 205 3.842 -0.170 5.988 345 H ASN 206 HN ASN 206 7.490 3.524 4.754 346 HA ASN 206 HA ASN 206 6.070 5.878 3.695 347 HB2 ASN 206 HB2 ASN 206 7.046 6.026 6.051 348 HB3 ASN 206 HB1 ASN 206 8.621 6.054 5.287 349 HD21 ASN 206 HD21 ASN 206 7.438 7.686 3.003 350 HD22 ASN 206 HD22 ASN 206 7.308 9.281 3.662 351 H LEU 207 HN LEU 207 8.468 3.552 3.137 352 HA LEU 207 HA LEU 207 10.189 5.074 1.475 353 HB2 LEU 207 HB2 LEU 207 11.035 2.920 0.649 354 HB3 LEU 207 HB1 LEU 207 10.994 3.002 2.395 355 HG LEU 207 HG LEU 207 8.791 1.645 0.860 356 HD11 LEU 207 HD11 LEU 207 11.373 0.408 1.805 357 HD12 LEU 207 HD12 LEU 207 10.886 0.637 0.126 358 HD13 LEU 207 HD13 LEU 207 9.983 -0.469 1.165 359 HD21 LEU 207 HD21 LEU 207 9.877 1.296 3.655 360 HD22 LEU 207 HD22 LEU 207 8.536 0.396 2.947 361 HD23 LEU 207 HD23 LEU 207 8.385 2.131 3.221 362 H SEP 208 HN SEP 208 9.468 6.119 -0.238 363 HA SEP 208 HA SEP 208 7.192 5.268 -1.735 364 HB2 SEP 208 HB2 SEP 208 9.188 7.442 -2.461 365 HB3 SEP 208 HB1 SEP 208 7.538 7.266 -3.051 366 HA PRO 209 HA PRO 209 9.617 2.662 -4.523 367 HB2 PRO 209 HB2 PRO 209 7.474 1.838 -6.002 368 HB3 PRO 209 HB1 PRO 209 7.946 1.090 -4.473 369 HG2 PRO 209 HG2 PRO 209 5.796 3.081 -5.033 370 HG3 PRO 209 HG1 PRO 209 5.779 1.687 -3.936 371 HD2 PRO 209 HD2 PRO 209 6.127 4.236 -3.095 372 HD3 PRO 209 HD1 PRO 209 6.820 2.850 -2.245 373 H ASN 210 HN ASN 210 10.694 3.585 -6.151 374 HA ASN 210 HA ASN 210 9.754 5.959 -7.418 375 HB2 ASN 210 HB2 ASN 210 12.179 5.317 -6.917 376 HB3 ASN 210 HB1 ASN 210 12.087 4.268 -8.325 377 HD21 ASN 210 HD21 ASN 210 10.431 6.109 -9.886 378 HD22 ASN 210 HD22 ASN 210 11.464 7.422 -10.332 379 HA PRO 211 HA PRO 211 7.420 3.809 -10.633 380 HB2 PRO 211 HB2 PRO 211 6.760 6.133 -11.954 381 HB3 PRO 211 HB1 PRO 211 5.848 5.469 -10.595 382 HG2 PRO 211 HG2 PRO 211 7.895 7.648 -10.623 383 HG3 PRO 211 HG1 PRO 211 6.370 7.551 -9.721 384 HD2 PRO 211 HD2 PRO 211 8.734 7.067 -8.546 385 HD3 PRO 211 HD1 PRO 211 7.269 6.173 -8.096
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